diff --git a/src/chilife/MolSys.py b/src/chilife/MolSys.py index 142a43e..763786d 100644 --- a/src/chilife/MolSys.py +++ b/src/chilife/MolSys.py @@ -45,6 +45,8 @@ "resindices", "segixs", "segindices", + "entity_ids", + "entities", "_Atoms", "_Residues", "atoms", @@ -72,6 +74,7 @@ "occupancy": "occupancies", "segix": "segixs", "resix": "resixs", + "entity": "entity_ids", } @@ -397,6 +400,10 @@ def add_bonds(self, bonds, bond_type=None, bond_chiral=None, update_topology=Tru new_bond_types.append(btype) new_bond_chiral.append(chiral) + # If all bonds are accounted for we don't have to change anything + if len(new_bonds) == 0: + return + # Convert to numpy arrays new_bonds = np.array(new_bonds) new_bond_types = np.array(new_bond_types) @@ -518,8 +525,35 @@ def write_cif(self, filename, use_bio_ccd: bool = True): nonpoly_mon_id, nonpoly_icode, nonpoly_seq_num, nonpoly_sid = [], [], [], [] for i, seg in enumerate(self.segments): - segids.append(str(i + 1)) - if len(seg.residues) > 1: + ix0 = int(np.min(seg.mask)) + entity_eid = str(self.entity_ids[ix0]) + segids.append(entity_eid) + + # Determine if this segment is a polymer + if len(seg.residues) == 1: + is_polymer = False + # inter-residue bonds implies a polymer + elif seg.bonds is not None and ~np.all( + ( + self.molsys.resindices[seg.bonds[:, 0]] + == self.molsys.resindices[seg.bonds[:, 1]] + ) + ): + is_polymer = True + + # being a known amino acid or nucleotide implies a polymer + elif np.any( + np.isin( + seg.resnames, + tuple(chilife.nataa_codes) + tuple(chilife.natnu_codes), + ) + ): + is_polymer = True + + else: + is_polymer = False + + if is_polymer: stype.append("polymer") if any(x.resname in chilife.nataa_codes for x in seg.residues): poly_type.append("polypeptide") @@ -528,8 +562,8 @@ def write_cif(self, filename, use_bio_ccd: bool = True): else: poly_type.append("unknown") - poly_ids.append(str(i + 1)) - strand_ids.append(str(seg.segid)) + poly_ids.append(entity_eid) + strand_ids.append(str(seg.chain)) poly_seq_num.extend([str(x) for x in range(1, len(seg.residues) + 1)]) poly_seq_mon_id.extend([res.resname for res in seg.residues]) @@ -540,24 +574,23 @@ def write_cif(self, filename, use_bio_ccd: bool = True): ] ) poly_seq_eids.extend([poly_ids[-1]] * len(seg.residues)) - poly_asym.extend([str(res.segid) for res in seg.residues]) + poly_asym.extend([str(res.chain) for res in seg.residues]) poly_auth_num.extend([str(res.resnum) for res in seg.residues]) poly_icodes.extend( [res.icode if res.icode.strip() else "." for res in seg.residues] ) else: - res = seg.residues[0] - nonpoly_eid.append(str(i + 1)) - nonpoly_asym_id.append(str(seg.segid)) - nonpoly_auth_seq.append(str(res.resnum)) - nonpoly_mon_id.append(res.resname) - nonpoly_icode.append(res.icode if res.icode != "" else ".") - nonpoly_seq_num.append(str(1)) - nonpoly_sid.append(str(seg.segid)) - stype.append("non-polymer") - - entites = self.segindices + for res in seg.residues: + nonpoly_eid.append(entity_eid) + nonpoly_asym_id.append(str(seg.segid)) + nonpoly_auth_seq.append(str(res.resnum)) + nonpoly_mon_id.append(res.resname) + nonpoly_icode.append(res.icode if res.icode != "" else ".") + nonpoly_seq_num.append(str(1)) + nonpoly_sid.append(str(seg.chain)) + stype.append("non-polymer") + atom_site_data = struct_to_cif_atom_site(self) local_ccd = {} @@ -687,7 +720,14 @@ def _make_sdf_data(self): properties = {} - if len(chg_mask := np.argwhere(self.charges != 0).flatten().tolist()) > 0: + if ( + len( + chg_mask := np.argwhere((self.charges != 0) * (~np.isnan(self.charges))) + .flatten() + .tolist() + ) + > 0 + ): properties["CHG"] = { "atom_ids": chg_mask, "charges": self.charges[chg_mask].tolist(), @@ -780,6 +820,8 @@ class MolSys(MolecularSystemBase): Array of the residue indices each atom belongs to. resindices are 0-indexed. segindices: np.ndarray | None Array of the segment index each atom belongs to. segindices are 0-indexed. + entity_ids : np.ndarray | None + Per-atom mmCIF ``label_entity_id`` strings. If omitted, inferred from ``segs`` (first-appearance order). bonds : ArrayLike | None Array of atom ID pairs corresponding to all atom bonds in the system. bond_types : ArrayLike | None @@ -817,6 +859,7 @@ def __init__( bond_chiral: np.ndarray | None = None, name: str = "Noname_MolSys", use_ccd: dict | None = None, + entity_ids: np.ndarray | None = None, ): # self.molsys = weakref.proxy(self) self.record_types = record_types.copy() @@ -872,6 +915,13 @@ def __init__( self.segixs = segindices self.segindices = self.segixs + if entity_ids is None: + self.entity_ids = np.array(self.segindices + 1, dtype=str) + else: + self.entity_ids = np.asarray(entity_ids, dtype=str).copy() + + self.entity = self.entity_ids + self.is_protein = np.array( [res in chilife.SUPPORTED_RESIDUES for res in resnames] ) @@ -906,6 +956,8 @@ def __init__( "q": self.occupancies, "elem": self.atypes, "element": self.atypes, + "entities": self.entity_ids, + "entity_ids": self.entity_ids, "protein": self.is_protein, "_len": self.n_atoms, } @@ -1081,7 +1133,12 @@ def from_cif(cls, file_name): cif_data = cif_data[name] atom_site_data = cif_data["atom_site"] - model_id = np.array([atom_site_data["pdbx_PDB_model_num"]]).flatten() + # Some CIFs don't use model numbers + if "pdbx_PDB_model_num" in atom_site_data: + model_id = np.array([atom_site_data["pdbx_PDB_model_num"]]).flatten() + else: + model_id = np.ones_like(atom_site_data["label_atom_id"]) + model_ids = np.unique(model_id) n_models = len(model_ids) n_atoms = np.sum(model_id == model_ids[0]) @@ -1111,8 +1168,15 @@ def from_cif(cls, file_name): icodes = np.array(atom_site_data["pdbx_PDB_ins_code"][:n_atoms]) icodes[icodes == "?"] = "" - segs = np.char.array(atom_site_data["label_asym_id"][:n_atoms]) + np.char.array( - atom_site_data["label_entity_id"][:n_atoms] + segs = np.char.array(atom_site_data["label_asym_id"][:n_atoms]) + + raw_eid = atom_site_data["label_entity_id"][:n_atoms] + parsed_eid = np.array( + [ + "" if str(x).strip() in (".", "?", "") else str(x).strip() + for x in raw_eid + ], + dtype=str, ) occupancies = np.array(atom_site_data["occupancy"][:n_atoms], dtype=float) @@ -1150,6 +1214,7 @@ def from_cif(cls, file_name): charges, name=name, use_ccd=ccd_data, + entity_ids=parsed_eid, ) # Parse inter-residue bonds from the _struct_conn loop (covale, disulf, metalc). @@ -1566,6 +1631,8 @@ def copy(self): bonds = None bond_types = None + entity_ids = self.entity_ids if hasattr(self, "entity_ids") else None + return MolSys( record_types=self.record_types, atomids=self.atomids, @@ -1584,6 +1651,7 @@ def copy(self): bonds=bonds, bond_types=bond_types, name=self.names, + entity_ids=entity_ids, ) def load_new(self, coordinates): @@ -1600,9 +1668,10 @@ def load_new(self, coordinates): @property def _atoms(self): if not hasattr(self, "_Atoms"): - self._Atoms = np.array( - [Atom(weakref.proxy(self), i) for i in range(self.n_atoms)] - ) + proxy = weakref.proxy(self) + self._Atoms = np.empty(self.n_atoms, dtype=object) + for i in range(self.n_atoms): + self._Atoms[i] = Atom(proxy, i) return self._Atoms @property @@ -2083,7 +2152,7 @@ def __len__(self): return len(self.first_ix) def __iter__(self): - for resix in self.resixs: + for resix in np.atleast_1d(self.resixs): yield self.molsys._residues[resix] @@ -2195,6 +2264,9 @@ def bonded_atoms(self): all_idxs = np.array([idx for idx in all_idxs if idx != self.mask]) return AtomSelection(self.molsys, all_idxs) + def __len__(self): + return 1 + class Residue(MolecularSystemBase): """ @@ -2309,13 +2381,13 @@ class Segment(MolecularSystemBase): An array of atom indices that defines the atoms of the segment. """ - def __init__(self, molsys, mask): + def __init__(self, molsys, mask, bond_mask=None): segix = np.unique(molsys.segixs[mask])[0] self.mask = np.where(molsys.segixs == segix)[0] self.molsys = molsys self.segindex = segix - self._update_bond_mask(mask) + self._update_bond_mask(bond_mask) def byres(mask, molsys): @@ -2443,6 +2515,7 @@ def concat_molsys(*systems): bonds = [] bond_types = [] bond_chiral = [] + entity_ids_parts = [] names = [] n_atoms = 0 n_residues = 0 @@ -2467,6 +2540,7 @@ def concat_molsys(*systems): atypes.append(sys.atypes) charges.append(sys.charges) chiral.append(sys.chiral) + entity_ids_parts.append(sys.entity_ids) if len(sys.trajectory) != traj_len: raise AttributeError( @@ -2481,7 +2555,7 @@ def concat_molsys(*systems): bond_types = None bond_chiral = None elif sys.bonds is None: - bonds.append(np.array([[]])) + bonds.append(np.empty((0, 2))) bond_types.append(np.array([])) bond_chiral.append(np.array([])) else: @@ -2531,6 +2605,7 @@ def concat_molsys(*systems): chiral = np.concatenate(chiral) if np.any([x is not None for x in chiral]) else None resindices = np.concatenate(resindices) segindices = np.concatenate(segindices) + entity_ids_cat = np.concatenate(entity_ids_parts) if has_bonds: bonds = np.concatenate(bonds) @@ -2564,6 +2639,7 @@ def concat_molsys(*systems): bond_types, bond_chiral, name, + entity_ids=entity_ids_cat, ) @@ -2643,8 +2719,10 @@ def struct_to_cif_atom_site(struct): [x if x.strip() else "." for x in struct.altlocs], n_frames ).tolist() label_comp_id = np.tile(struct.resnames, n_frames).tolist() - label_asym_id = np.tile(struct.segids, n_frames).tolist() - label_entity_id = np.tile((struct.segindices + 1).astype(str), n_frames).tolist() + label_asym_id = np.tile(np.array(struct.segids, dtype=str), n_frames).tolist() + label_entity_id = np.tile( + np.asarray(struct.entity_ids, dtype=str), n_frames + ).tolist() label_seq_id = np.tile((struct.resindices + 1).astype(str), n_frames).tolist() pdbx_PDB_ins_code = np.tile( [x if x.strip() else "?" for x in struct.icodes], n_frames diff --git a/src/chilife/Topology.py b/src/chilife/Topology.py index 38c299e..6b07535 100644 --- a/src/chilife/Topology.py +++ b/src/chilife/Topology.py @@ -435,8 +435,6 @@ def bonds_from_ccd_data(molsys, ccd_data): a1, a2, btype, bchiral = POLYMER_LINKAGE_TYPES[link_type] i1 = pres.ix[pres.names == a1].flat[0] i2 = res.ix[res.names == a2].flat[0] - if i1 == 0 and i2 == 1255: - print("break") bonds.append([i1, i2]) bond_types.append(btype) bond_chiral.append(bchiral) diff --git a/src/chilife/__init__.py b/src/chilife/__init__.py index a0a5aba..2017444 100644 --- a/src/chilife/__init__.py +++ b/src/chilife/__init__.py @@ -44,4 +44,4 @@ # SpinLabel = SpinLabel.SpinLabel # dSpinLabel = dSpinLabel.dSpinLabel -__version__ = "1.2.2" +__version__ = "1.2.3" diff --git a/src/chilife/io.py b/src/chilife/io.py index ee3b383..7cf7bb1 100644 --- a/src/chilife/io.py +++ b/src/chilife/io.py @@ -38,7 +38,7 @@ from .alignment_methods import local_mx from .IntrinsicLabel import IntrinsicLabel from .MolSys import MolecularSystemBase, MolSys -from .Topology import BondType, POLYMER_LINKAGE_TYPES +from .Topology import BondType from .MolSysIC import MolSysIC from .pdb_utils import parse_connect, sort_pdb @@ -1115,9 +1115,9 @@ def write_sdf(sdf_data, file_name): for atom in atoms: x, y, z = atom["xyz"] lines.append( - f"{x:10.4f}{y:10.4f}{z:10.4f}{atom['element']:>2} {atom['mass difference']:>3}{atom['charge']:>3}" - f"{atom['stereo']:>3}{0:>3}{0:>3}{atom['valence']:>3}" - + f"{0:>3}" * 6 + f"{x:10.4f}{y:10.4f}{z:10.4f} {atom['element']:<3} {atom['mass difference']:<2} {atom['charge']:<3}" + f"{atom['stereo']:<3}{0:<3}{0:<3}{atom['valence']:<3}" + + f"{0:<3}" * 6 + "\n" ) @@ -1586,7 +1586,7 @@ def parse_cif_data_block(data_block: list[str]) -> dict: in_loop = True subject_keys = [] subject_values = [] - elif line.startswith("#") and in_loop: + elif (line.startswith("#") or line.strip() == "") and in_loop: for k, v in zip(subject_keys, zip(*subject_values)): topic_dict[k] = v in_loop = False @@ -1597,7 +1597,26 @@ def parse_cif_data_block(data_block: list[str]) -> dict: topic_dict = parsed_block.setdefault(topic_key[1:], {}) subject_keys.append(subject_key) else: - subject_values.append(split_with_quotes(line)) + svals = split_with_quotes(line) + + # Some lines are too long and wrap multiple lines. + while len(svals) < len(subject_keys): + line = next(data_block_iterator) + + # Consider a multiline field within a multiline loop item + if line[0] == ";": + value = line[1:] + while True: + line = next(data_block_iterator) + if line.startswith(";"): + break + value += line.strip() + line = value + svals += [line.strip().strip("'\"")] + else: + svals += split_with_quotes(line) + + subject_values.append(svals) elif line.startswith("_"): kv = split_with_quotes(line) @@ -1742,35 +1761,12 @@ def create_ccd_dicts(cif_data): bond_dict["pdbx_stereo_config"].append(stereo) chem_comp_data = cif_data.get("chem_comp", None) - if chem_comp_data is not None and all( - key in chem_comp_data - for key in [ - "id", - "type", - "mon_nstd_flag", - "name", - "pdbx_synonyms", - "formula", - "formula_weight", - ] - ): - for res, link_type, mon_nsdt_flag, name, pdbx_synonyms, formula, weight in zip( - chem_comp_data["id"], - chem_comp_data["type"], - chem_comp_data["mon_nstd_flag"], - chem_comp_data["name"], - chem_comp_data["pdbx_synonyms"], - chem_comp_data["formula"], - chem_comp_data["formula_weight"], - ): + + if chem_comp_data is not None: + for i, res in enumerate(chem_comp_data["id"]): res_dict = ccd_data.setdefault(res, {}) res_dict["chem_comp"] = { - "link type": link_type, - "mon nsdt flag": mon_nsdt_flag, - "name": name, - "pdbx synonyms": pdbx_synonyms, - "formula": formula, - "weight": weight, + key: chem_comp_data[key][i] for key in chem_comp_data.keys() } return ccd_data @@ -1840,7 +1836,18 @@ def parse_struct_conn_bonds(molsys, struct_conn): order_key = struct_conn["pdbx_value_order"][row] btype = CIF_BOND_TO_XL.get(order_key, BondType.UNSPECIFIED) - bonds.append(sorted([i1, i2])) + bond = sorted([i1, i2]) + + # Do not overwrite existing bonds with BondType.UNSPECIFIED if the existing bond is specified. + if btype == BondType.UNSPECIFIED: + exists = np.argwhere(np.all(molsys._bonds == bond, axis=1)).flatten() + if ( + len(exists) > 0 + and molsys._bond_types[exists[0]] != BondType.UNSPECIFIED + ): + continue + + bonds.append(bond) bond_types.append(btype) return np.array(bonds, dtype=int), np.array(bond_types, dtype=object) @@ -1879,10 +1886,15 @@ def struct_conn_from_bonds(molsys, ccd_data=None): counters = {} rows = defaultdict(list) for (b1, b2), btype in zip(molsys.bonds, molsys.bond_types): - if molsys.resindices[b1] == molsys.resindices[b2]: + delta = molsys.resindices[b1] - molsys.resindices[b2] + if delta == 0: continue - elif molsys.segindices[b1] == molsys.segindices[b2] and abs(molsys.resnums[b1] - molsys.resnums[b2]) == 1: + elif ( + molsys.segindices[b1] == molsys.segindices[b2] + and abs(delta) == 1 + and ("HETATM" not in molsys.record_types[[b1, b2]]) + ): continue else: @@ -1911,7 +1923,6 @@ def struct_conn_from_bonds(molsys, ccd_data=None): rows["pdbx_value_order"].append(value_order) rows["pdbx_role"].append("?") - if not rows["id"]: return None @@ -1985,8 +1996,9 @@ def write_cif(file_name, cif_data): for key2, value2 in value1.items(): line = f"_{key1}.{key2}".ljust(key_length) if isinstance(value2, str): - if " " in value2 and value2[0] != "'": - value2 = "'" + value2 + "'" + if " " in value2 and value2[0] not in ("'", '"'): + quote = '"' if "'" in value2 else "'" + value2 = quote + value2 + quote if len(value2) < 80: line += f" {value2} \n" @@ -2004,19 +2016,20 @@ def write_cif(file_name, cif_data): elif isinstance(value2, Sequence): loop_keys.append(line + "\n") - value2 = [v if "'" not in v else '"' + v + '"' for v in value2] - try: - value2 = [ - v if (" " not in v) and (v[0] != "_") else "'" + v + "'" - for v in value2 - ] - except IndexError: - breakpoint() + + value2 = [ + v + if " " not in v + else "'" + v + "'" + if "'" not in v + else '"' + v + '"' + if '"' not in v + else "\n;" + v + ";\n" + for v in value2 + ] + loop_values.append(value2) - try: - max_val_lens.append(max(len(x) for x in value2)) - except ValueError: - print(value2) + max_val_lens.append(max(len(x) for x in value2)) if loop_values: lines.append("loop_\n") diff --git a/tests/test_LigandEnsemble.py b/tests/test_LigandEnsemble.py index b88c48c..64f8bcb 100644 --- a/tests/test_LigandEnsemble.py +++ b/tests/test_LigandEnsemble.py @@ -24,7 +24,10 @@ def test_from_sdf(): np.testing.assert_equal(LE.dihedral_atoms, ans["dihedral_atoms"]) -@pytest.mark.skipif(_is_macos, reason="Clash filtering results differ on macOS ARM due to BLAS differences") +@pytest.mark.skipif( + _is_macos, + reason="Clash filtering results differ on macOS ARM due to BLAS differences", +) def test_from_sdf2(): LE = xl.LigandEnsemble.from_sdf( "test_data/test_la_subject.sdf", site=500, protein=protein, use_H=False @@ -39,7 +42,9 @@ def test_from_sdf2(): np.testing.assert_equal(LE.dihedral_atoms, ans["dihedral_atoms"]) -@pytest.mark.skipif(_is_macos, reason="Sampling results differ on macOS ARM due to BLAS differences") +@pytest.mark.skipif( + _is_macos, reason="Sampling results differ on macOS ARM due to BLAS differences" +) def test_sample_from_sdf(): np.random.seed(0) LE = xl.LigandEnsemble.from_sdf( @@ -91,7 +96,10 @@ def test_remap_sdf(): os.remove("tmp.sdf") -@pytest.mark.skipif(_is_macos, reason="Clash filtering results differ on macOS ARM due to BLAS differences") +@pytest.mark.skipif( + _is_macos, + reason="Clash filtering results differ on macOS ARM due to BLAS differences", +) def test_spin_atoms(): LE = xl.SpinLigand.from_sdf("test_data/dAdo.sdf", site=500, protein=protein) assert LE.spin_atoms[0] == "C1" @@ -184,7 +192,10 @@ def test_set_dihedral_sigmas1(): assert np.all(LE.sigmas == 25.0) -@pytest.mark.skipif(_is_macos, reason="SDF output differs on macOS ARM due to BLAS differences in sampling") +@pytest.mark.skipif( + _is_macos, + reason="SDF output differs on macOS ARM due to BLAS differences in sampling", +) def test_to_rotlib(): np.random.seed(0) LE = xl.LigandEnsemble.from_sdf("test_data/random_sdfs/5R5.sdf", sample=50) @@ -198,7 +209,7 @@ def test_to_rotlib(): with open("test_data/to_rotlib.sdf", "r") as f: ans_str = f.read() - ans_str = ans_str.replace("1.2.0dev1", "version") + ans_str = ans_str.replace("1.2.2", "version") ans = hashlib.md5(ans_str.encode("utf-8")).hexdigest() with open("to_rotlib.sdf", "r") as f: @@ -220,5 +231,4 @@ def test_copy(): LE.coords, _ = LE.sample(50, off_rotamer=True) - assert LE.coords.shape != LE2.coords.shape - + assert LE.coords.shape != LE2.coords.shape diff --git a/tests/test_MolSys.py b/tests/test_MolSys.py index 9afe617..250c004 100644 --- a/tests/test_MolSys.py +++ b/tests/test_MolSys.py @@ -145,6 +145,7 @@ def test_select_range(prot): "bs", "atypes", "charges", + "entity_ids", ) @@ -629,6 +630,7 @@ def test_from_cif(): np.testing.assert_equal(mol.names, ans["anames"]) np.testing.assert_equal(mol.resnames, ans["resnames"]) np.testing.assert_equal(mol.segids, ans["segids"]) + np.testing.assert_equal(mol.entity_ids, ans["entity_ids"]) np.testing.assert_almost_equal(mol.charges, ans["charges"]) np.testing.assert_equal(mol.chiral, ans["chiral"]) @@ -643,6 +645,7 @@ def test_from_sdf(): np.testing.assert_equal(mol.names, ans["anames"]) np.testing.assert_equal(mol.resnames, ans["resnames"]) np.testing.assert_equal(mol.segids, ans["segids"]) + np.testing.assert_equal(mol.entity_ids, ans["entity_ids"]) np.testing.assert_almost_equal(mol.charges, ans["charges"]) np.testing.assert_equal(mol.chiral, ans["chiral"]) @@ -693,7 +696,7 @@ def test_write_sdf(): with open("test_data/write_sdf.sdf", "r") as f: ans_str = f.read() - ans_str = ans_str.replace("1.2.0dev1", "version") + ans_str = ans_str.replace("1.2.2", "version") ans = hashlib.md5(ans_str.encode("utf-8")).hexdigest() with open("test_sdf.sdf", "r") as f: @@ -765,7 +768,10 @@ def test_write_cif_emits_struct_conn(): if ln.startswith(expected_conn) and "_struct_conn" not in ln ] assert len(data_lines) == 1 - assert data_lines[0] == "covale1 covale ? ? A GLY 1 N ? ? ? 1_555 A GLY 1 A VAL 82 C ? ? 1_555 A VAL 82 ? ? ? ? ? ? ? ? sing ?" + assert ( + data_lines[0] + == "covale1 covale ? ? A GLY 1 N ? ? ? 1_555 A GLY 1 A VAL 82 C ? ? 1_555 A VAL 82 ? ? ? ? ? ? ? ? sing ?" + ) os.remove("test_cif_sc.cif") @@ -804,3 +810,25 @@ def test_struct_conn_skips_polymer_link(): ) finally: os.remove("test_cif_poly.cif") + + +def test_roundtrip(): + struct = MolSys.from_cif("test_data/1hvr.cif") + struct.write_cif("1hvr_xl.cif") + xl_struct = MolSys.from_cif("1hvr_xl.cif") + + assert len(xl_struct.atoms) == len(struct.atoms) + + np.testing.assert_equal(struct.names, xl_struct.names) + np.testing.assert_equal(struct.atypes, xl_struct.atypes) + np.testing.assert_equal(struct.resnums, xl_struct.resnums) + np.testing.assert_equal(struct.resnames, xl_struct.resnames) + np.testing.assert_equal(struct.chains, xl_struct.chains) + np.testing.assert_equal(struct.segids, xl_struct.segids) + np.testing.assert_almost_equal(struct.coords, xl_struct.coords) + + assert len(xl_struct.bonds) == len(struct.bonds) + np.testing.assert_equal(xl_struct.bonds, struct.bonds) + np.testing.assert_equal(xl_struct.bond_types, struct.bond_types) + + os.remove("1hvr_xl.cif") diff --git a/tests/test_data/1hvr.cif b/tests/test_data/1hvr.cif new file mode 100644 index 00000000..3d471ec --- /dev/null +++ b/tests/test_data/1hvr.cif @@ -0,0 +1,4123 @@ +data_1HVR +# +_entry.id 1HVR +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.397 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1HVR pdb_00001hvr 10.2210/pdb1hvr/pdb +WWPDB D_1000174055 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1995-01-26 +2 'Structure model' 1 1 2008-03-03 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2012-02-29 +5 'Structure model' 1 4 2017-11-29 +6 'Structure model' 1 5 2024-10-16 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Database references' +4 5 'Structure model' 'Derived calculations' +5 5 'Structure model' Other +6 6 'Structure model' 'Data collection' +7 6 'Structure model' 'Database references' +8 6 'Structure model' 'Derived calculations' +9 6 'Structure model' 'Structure summary' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 5 'Structure model' pdbx_database_status +2 5 'Structure model' struct_conf +3 5 'Structure model' struct_conf_type +4 6 'Structure model' chem_comp_atom +5 6 'Structure model' chem_comp_bond +6 6 'Structure model' database_2 +7 6 'Structure model' pdbx_entry_details +8 6 'Structure model' pdbx_modification_feature +9 6 'Structure model' struct_conn +10 6 'Structure model' struct_ref_seq_dif +11 6 'Structure model' struct_site +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 5 'Structure model' '_pdbx_database_status.process_site' +2 6 'Structure model' '_database_2.pdbx_DOI' +3 6 'Structure model' '_database_2.pdbx_database_accession' +4 6 'Structure model' '_struct_conn.pdbx_leaving_atom_flag' +5 6 'Structure model' '_struct_ref_seq_dif.details' +6 6 'Structure model' '_struct_site.pdbx_auth_asym_id' +7 6 'Structure model' '_struct_site.pdbx_auth_comp_id' +8 6 'Structure model' '_struct_site.pdbx_auth_seq_id' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1HVR +_pdbx_database_status.recvd_initial_deposition_date 1994-02-14 +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site BNL +_pdbx_database_status.SG_entry . +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_nmr_data ? +# +_audit_author.name 'Chang, C.-H.' +_audit_author.pdbx_ordinal 1 +# +_citation.id primary +_citation.title 'Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors.' +_citation.journal_abbrev Science +_citation.journal_volume 263 +_citation.page_first 380 +_citation.page_last 384 +_citation.year 1994 +_citation.journal_id_ASTM SCIEAS +_citation.country US +_citation.journal_id_ISSN 0036-8075 +_citation.journal_id_CSD 0038 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 8278812 +_citation.pdbx_database_id_DOI ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Lam, P.Y.' 1 ? +primary 'Jadhav, P.K.' 2 ? +primary 'Eyermann, C.J.' 3 ? +primary 'Hodge, C.N.' 4 ? +primary 'Ru, Y.' 5 ? +primary 'Bacheler, L.T.' 6 ? +primary 'Meek, J.L.' 7 ? +primary 'Otto, M.J.' 8 ? +primary 'Rayner, M.M.' 9 ? +primary 'Wong, Y.N.' 10 ? +primary 'Chang, C.-H.' 11 ? +primary 'Weber, P.' 12 ? +primary 'Jackson, D.A.' 13 ? +primary 'Sharpe, T.R.' 14 ? +primary 'Erickson-Viitanen, S.' 15 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'HIV-1 PROTEASE' 10773.664 2 ? ? ? ? +2 non-polymer syn +'[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE' +606.752 1 ? ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer yes +_entity_poly.pdbx_seq_one_letter_code +;PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEI(CSO)GHKAIGTVL +VGPTPVNIIGRNLLTQIGATLNF +; +_entity_poly.pdbx_seq_one_letter_code_can +;PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPT +PVNIIGRNLLTQIGATLNF +; +_entity_poly.pdbx_strand_id A,B +_entity_poly.pdbx_target_identifier ? +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name +'[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE' +_pdbx_entity_nonpoly.comp_id XK2 +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 PRO n +1 2 GLN n +1 3 VAL n +1 4 THR n +1 5 LEU n +1 6 TRP n +1 7 GLN n +1 8 ARG n +1 9 PRO n +1 10 LEU n +1 11 VAL n +1 12 THR n +1 13 ILE n +1 14 LYS n +1 15 ILE n +1 16 GLY n +1 17 GLY n +1 18 GLN n +1 19 LEU n +1 20 LYS n +1 21 GLU n +1 22 ALA n +1 23 LEU n +1 24 LEU n +1 25 ASP n +1 26 THR n +1 27 GLY n +1 28 ALA n +1 29 ASP n +1 30 ASP n +1 31 THR n +1 32 VAL n +1 33 LEU n +1 34 GLU n +1 35 GLU n +1 36 MET n +1 37 SER n +1 38 LEU n +1 39 PRO n +1 40 GLY n +1 41 ARG n +1 42 TRP n +1 43 LYS n +1 44 PRO n +1 45 LYS n +1 46 MET n +1 47 ILE n +1 48 GLY n +1 49 GLY n +1 50 ILE n +1 51 GLY n +1 52 GLY n +1 53 PHE n +1 54 ILE n +1 55 LYS n +1 56 VAL n +1 57 ARG n +1 58 GLN n +1 59 TYR n +1 60 ASP n +1 61 GLN n +1 62 ILE n +1 63 LEU n +1 64 ILE n +1 65 GLU n +1 66 ILE n +1 67 CSO n +1 68 GLY n +1 69 HIS n +1 70 LYS n +1 71 ALA n +1 72 ILE n +1 73 GLY n +1 74 THR n +1 75 VAL n +1 76 LEU n +1 77 VAL n +1 78 GLY n +1 79 PRO n +1 80 THR n +1 81 PRO n +1 82 VAL n +1 83 ASN n +1 84 ILE n +1 85 ILE n +1 86 GLY n +1 87 ARG n +1 88 ASN n +1 89 LEU n +1 90 LEU n +1 91 THR n +1 92 GLN n +1 93 ILE n +1 94 GLY n +1 95 ALA n +1 96 THR n +1 97 LEU n +1 98 ASN n +1 99 PHE n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type ? +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +_entity_src_gen.gene_src_common_name ? +_entity_src_gen.gene_src_genus Lentivirus +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Human immunodeficiency virus 1' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 11676 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 +_entity_src_gen.host_org_genus Escherichia +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain ? +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type ? +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name ? +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CSO 'L-peptide linking' n S-HYDROXYCYSTEINE ? 'C3 H7 N O3 S' 137.158 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +XK2 non-polymer . +'[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE' +? 'C41 H38 N2 O3' 606.752 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 PRO 1 1 1 PRO PRO A . n +A 1 2 GLN 2 2 2 GLN GLN A . n +A 1 3 VAL 3 3 3 VAL VAL A . n +A 1 4 THR 4 4 4 THR THR A . n +A 1 5 LEU 5 5 5 LEU LEU A . n +A 1 6 TRP 6 6 6 TRP TRP A . n +A 1 7 GLN 7 7 7 GLN GLN A . n +A 1 8 ARG 8 8 8 ARG ARG A . n +A 1 9 PRO 9 9 9 PRO PRO A . n +A 1 10 LEU 10 10 10 LEU LEU A . n +A 1 11 VAL 11 11 11 VAL VAL A . n +A 1 12 THR 12 12 12 THR THR A . n +A 1 13 ILE 13 13 13 ILE ILE A . n +A 1 14 LYS 14 14 14 LYS LYS A . n +A 1 15 ILE 15 15 15 ILE ILE A . n +A 1 16 GLY 16 16 16 GLY GLY A . n +A 1 17 GLY 17 17 17 GLY GLY A . n +A 1 18 GLN 18 18 18 GLN GLN A . n +A 1 19 LEU 19 19 19 LEU LEU A . n +A 1 20 LYS 20 20 20 LYS LYS A . n +A 1 21 GLU 21 21 21 GLU GLU A . n +A 1 22 ALA 22 22 22 ALA ALA A . n +A 1 23 LEU 23 23 23 LEU LEU A . n +A 1 24 LEU 24 24 24 LEU LEU A . n +A 1 25 ASP 25 25 25 ASP ASP A . n +A 1 26 THR 26 26 26 THR THR A . n +A 1 27 GLY 27 27 27 GLY GLY A . n +A 1 28 ALA 28 28 28 ALA ALA A . n +A 1 29 ASP 29 29 29 ASP ASP A . n +A 1 30 ASP 30 30 30 ASP ASP A . n +A 1 31 THR 31 31 31 THR THR A . n +A 1 32 VAL 32 32 32 VAL VAL A . n +A 1 33 LEU 33 33 33 LEU LEU A . n +A 1 34 GLU 34 34 34 GLU GLU A . n +A 1 35 GLU 35 35 35 GLU GLU A . n +A 1 36 MET 36 36 36 MET MET A . n +A 1 37 SER 37 37 37 SER SER A . n +A 1 38 LEU 38 38 38 LEU LEU A . n +A 1 39 PRO 39 39 39 PRO PRO A . n +A 1 40 GLY 40 40 40 GLY GLY A . n +A 1 41 ARG 41 41 41 ARG ARG A . n +A 1 42 TRP 42 42 42 TRP TRP A . n +A 1 43 LYS 43 43 43 LYS LYS A . n +A 1 44 PRO 44 44 44 PRO PRO A . n +A 1 45 LYS 45 45 45 LYS LYS A . n +A 1 46 MET 46 46 46 MET MET A . n +A 1 47 ILE 47 47 47 ILE ILE A . n +A 1 48 GLY 48 48 48 GLY GLY A . n +A 1 49 GLY 49 49 49 GLY GLY A . n +A 1 50 ILE 50 50 50 ILE ILE A . n +A 1 51 GLY 51 51 51 GLY GLY A . n +A 1 52 GLY 52 52 52 GLY GLY A . n +A 1 53 PHE 53 53 53 PHE PHE A . n +A 1 54 ILE 54 54 54 ILE ILE A . n +A 1 55 LYS 55 55 55 LYS LYS A . n +A 1 56 VAL 56 56 56 VAL VAL A . n +A 1 57 ARG 57 57 57 ARG ARG A . n +A 1 58 GLN 58 58 58 GLN GLN A . n +A 1 59 TYR 59 59 59 TYR TYR A . n +A 1 60 ASP 60 60 60 ASP ASP A . n +A 1 61 GLN 61 61 61 GLN GLN A . n +A 1 62 ILE 62 62 62 ILE ILE A . n +A 1 63 LEU 63 63 63 LEU LEU A . n +A 1 64 ILE 64 64 64 ILE ILE A . n +A 1 65 GLU 65 65 65 GLU GLU A . n +A 1 66 ILE 66 66 66 ILE ILE A . n +A 1 67 CSO 67 67 67 CSO CSO A . n +A 1 68 GLY 68 68 68 GLY GLY A . n +A 1 69 HIS 69 69 69 HIS HIS A . n +A 1 70 LYS 70 70 70 LYS LYS A . n +A 1 71 ALA 71 71 71 ALA ALA A . n +A 1 72 ILE 72 72 72 ILE ILE A . n +A 1 73 GLY 73 73 73 GLY GLY A . n +A 1 74 THR 74 74 74 THR THR A . n +A 1 75 VAL 75 75 75 VAL VAL A . n +A 1 76 LEU 76 76 76 LEU LEU A . n +A 1 77 VAL 77 77 77 VAL VAL A . n +A 1 78 GLY 78 78 78 GLY GLY A . n +A 1 79 PRO 79 79 79 PRO PRO A . n +A 1 80 THR 80 80 80 THR THR A . n +A 1 81 PRO 81 81 81 PRO PRO A . n +A 1 82 VAL 82 82 82 VAL VAL A . n +A 1 83 ASN 83 83 83 ASN ASN A . n +A 1 84 ILE 84 84 84 ILE ILE A . n +A 1 85 ILE 85 85 85 ILE ILE A . n +A 1 86 GLY 86 86 86 GLY GLY A . n +A 1 87 ARG 87 87 87 ARG ARG A . n +A 1 88 ASN 88 88 88 ASN ASN A . n +A 1 89 LEU 89 89 89 LEU LEU A . n +A 1 90 LEU 90 90 90 LEU LEU A . n +A 1 91 THR 91 91 91 THR THR A . n +A 1 92 GLN 92 92 92 GLN GLN A . n +A 1 93 ILE 93 93 93 ILE ILE A . n +A 1 94 GLY 94 94 94 GLY GLY A . n +A 1 95 ALA 95 95 95 ALA ALA A . n +A 1 96 THR 96 96 96 THR THR A . n +A 1 97 LEU 97 97 97 LEU LEU A . n +A 1 98 ASN 98 98 98 ASN ASN A . n +A 1 99 PHE 99 99 99 PHE PHE A . n +B 1 1 PRO 1 1 1 PRO PRO B . n +B 1 2 GLN 2 2 2 GLN GLN B . n +B 1 3 VAL 3 3 3 VAL VAL B . n +B 1 4 THR 4 4 4 THR THR B . n +B 1 5 LEU 5 5 5 LEU LEU B . n +B 1 6 TRP 6 6 6 TRP TRP B . n +B 1 7 GLN 7 7 7 GLN GLN B . n +B 1 8 ARG 8 8 8 ARG ARG B . n +B 1 9 PRO 9 9 9 PRO PRO B . n +B 1 10 LEU 10 10 10 LEU LEU B . n +B 1 11 VAL 11 11 11 VAL VAL B . n +B 1 12 THR 12 12 12 THR THR B . n +B 1 13 ILE 13 13 13 ILE ILE B . n +B 1 14 LYS 14 14 14 LYS LYS B . n +B 1 15 ILE 15 15 15 ILE ILE B . n +B 1 16 GLY 16 16 16 GLY GLY B . n +B 1 17 GLY 17 17 17 GLY GLY B . n +B 1 18 GLN 18 18 18 GLN GLN B . n +B 1 19 LEU 19 19 19 LEU LEU B . n +B 1 20 LYS 20 20 20 LYS LYS B . n +B 1 21 GLU 21 21 21 GLU GLU B . n +B 1 22 ALA 22 22 22 ALA ALA B . n +B 1 23 LEU 23 23 23 LEU LEU B . n +B 1 24 LEU 24 24 24 LEU LEU B . n +B 1 25 ASP 25 25 25 ASP ASP B . n +B 1 26 THR 26 26 26 THR THR B . n +B 1 27 GLY 27 27 27 GLY GLY B . n +B 1 28 ALA 28 28 28 ALA ALA B . n +B 1 29 ASP 29 29 29 ASP ASP B . n +B 1 30 ASP 30 30 30 ASP ASP B . n +B 1 31 THR 31 31 31 THR THR B . n +B 1 32 VAL 32 32 32 VAL VAL B . n +B 1 33 LEU 33 33 33 LEU LEU B . n +B 1 34 GLU 34 34 34 GLU GLU B . n +B 1 35 GLU 35 35 35 GLU GLU B . n +B 1 36 MET 36 36 36 MET MET B . n +B 1 37 SER 37 37 37 SER SER B . n +B 1 38 LEU 38 38 38 LEU LEU B . n +B 1 39 PRO 39 39 39 PRO PRO B . n +B 1 40 GLY 40 40 40 GLY GLY B . n +B 1 41 ARG 41 41 41 ARG ARG B . n +B 1 42 TRP 42 42 42 TRP TRP B . n +B 1 43 LYS 43 43 43 LYS LYS B . n +B 1 44 PRO 44 44 44 PRO PRO B . n +B 1 45 LYS 45 45 45 LYS LYS B . n +B 1 46 MET 46 46 46 MET MET B . n +B 1 47 ILE 47 47 47 ILE ILE B . n +B 1 48 GLY 48 48 48 GLY GLY B . n +B 1 49 GLY 49 49 49 GLY GLY B . n +B 1 50 ILE 50 50 50 ILE ILE B . n +B 1 51 GLY 51 51 51 GLY GLY B . n +B 1 52 GLY 52 52 52 GLY GLY B . n +B 1 53 PHE 53 53 53 PHE PHE B . n +B 1 54 ILE 54 54 54 ILE ILE B . n +B 1 55 LYS 55 55 55 LYS LYS B . n +B 1 56 VAL 56 56 56 VAL VAL B . n +B 1 57 ARG 57 57 57 ARG ARG B . n +B 1 58 GLN 58 58 58 GLN GLN B . n +B 1 59 TYR 59 59 59 TYR TYR B . n +B 1 60 ASP 60 60 60 ASP ASP B . n +B 1 61 GLN 61 61 61 GLN GLN B . n +B 1 62 ILE 62 62 62 ILE ILE B . n +B 1 63 LEU 63 63 63 LEU LEU B . n +B 1 64 ILE 64 64 64 ILE ILE B . n +B 1 65 GLU 65 65 65 GLU GLU B . n +B 1 66 ILE 66 66 66 ILE ILE B . n +B 1 67 CSO 67 67 67 CSO CSO B . n +B 1 68 GLY 68 68 68 GLY GLY B . n +B 1 69 HIS 69 69 69 HIS HIS B . n +B 1 70 LYS 70 70 70 LYS LYS B . n +B 1 71 ALA 71 71 71 ALA ALA B . n +B 1 72 ILE 72 72 72 ILE ILE B . n +B 1 73 GLY 73 73 73 GLY GLY B . n +B 1 74 THR 74 74 74 THR THR B . n +B 1 75 VAL 75 75 75 VAL VAL B . n +B 1 76 LEU 76 76 76 LEU LEU B . n +B 1 77 VAL 77 77 77 VAL VAL B . n +B 1 78 GLY 78 78 78 GLY GLY B . n +B 1 79 PRO 79 79 79 PRO PRO B . n +B 1 80 THR 80 80 80 THR THR B . n +B 1 81 PRO 81 81 81 PRO PRO B . n +B 1 82 VAL 82 82 82 VAL VAL B . n +B 1 83 ASN 83 83 83 ASN ASN B . n +B 1 84 ILE 84 84 84 ILE ILE B . n +B 1 85 ILE 85 85 85 ILE ILE B . n +B 1 86 GLY 86 86 86 GLY GLY B . n +B 1 87 ARG 87 87 87 ARG ARG B . n +B 1 88 ASN 88 88 88 ASN ASN B . n +B 1 89 LEU 89 89 89 LEU LEU B . n +B 1 90 LEU 90 90 90 LEU LEU B . n +B 1 91 THR 91 91 91 THR THR B . n +B 1 92 GLN 92 92 92 GLN GLN B . n +B 1 93 ILE 93 93 93 ILE ILE B . n +B 1 94 GLY 94 94 94 GLY GLY B . n +B 1 95 ALA 95 95 95 ALA ALA B . n +B 1 96 THR 96 96 96 THR THR B . n +B 1 97 LEU 97 97 97 LEU LEU B . n +B 1 98 ASN 98 98 98 ASN ASN B . n +B 1 99 PHE 99 99 99 PHE PHE B . n +# +_pdbx_nonpoly_scheme.asym_id C +_pdbx_nonpoly_scheme.entity_id 2 +_pdbx_nonpoly_scheme.mon_id XK2 +_pdbx_nonpoly_scheme.ndb_seq_num 1 +_pdbx_nonpoly_scheme.pdb_seq_num 263 +_pdbx_nonpoly_scheme.auth_seq_num 263 +_pdbx_nonpoly_scheme.pdb_mon_id XK2 +_pdbx_nonpoly_scheme.auth_mon_id XK2 +_pdbx_nonpoly_scheme.pdb_strand_id A +_pdbx_nonpoly_scheme.pdb_ins_code . +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +X-PLOR 'model building' . ? 1 +X-PLOR refinement . ? 2 +X-PLOR phasing . ? 3 +# +_cell.entry_id 1HVR +_cell.length_a 62.800 +_cell.length_b 62.800 +_cell.length_c 83.500 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 120.00 +_cell.Z_PDB 12 +_cell.pdbx_unique_axis ? +_cell.length_a_esd ? +_cell.length_b_esd ? +_cell.length_c_esd ? +_cell.angle_alpha_esd ? +_cell.angle_beta_esd ? +_cell.angle_gamma_esd ? +# +_symmetry.entry_id 1HVR +_symmetry.space_group_name_H-M 'P 61' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 169 +_symmetry.space_group_name_Hall ? +# +_exptl.entry_id 1HVR +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number ? +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.21 +_exptl_crystal.density_percent_sol 44.29 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_diffrn.id 1 +_diffrn.ambient_temp ? +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1.0 +# +_refine.entry_id 1HVR +_refine.ls_number_reflns_obs 12695 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 2. +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low ? +_refine.ls_d_res_high 1.8 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_obs 0.1930000 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.1930000 +_refine.ls_R_factor_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_number_reflns_R_free ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[3][3] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][3] ? +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_ls_cross_valid_method ? +_refine.details ? +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_overall_phase_error ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 1514 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 46 +_refine_hist.number_atoms_solvent 0 +_refine_hist.number_atoms_total 1560 +_refine_hist.d_res_high 1.8 +_refine_hist.d_res_low . +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +x_bond_d 0.016 ? ? ? 'X-RAY DIFFRACTION' ? +x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg 3.3 ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? +x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? +# +_database_PDB_matrix.entry_id 1HVR +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_struct.entry_id 1HVR +_struct.title 'RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1HVR +_struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' +_struct_keywords.text 'HYDROLASE, ACID PROTEINASE, HYDROLASE-HYDROLASE INHIBITOR complex' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 1 ? +C N N 2 ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code POL_HV1H2 +_struct_ref.entity_id 1 +_struct_ref.pdbx_db_accession P04585 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_seq_one_letter_code +;FFREDLAFLQGKAREFSSEQTRANSPTRRELQVWGRDNNSPSEAGADRQGTVSFNFPQVTLWQRPLVTIKIGGQLKEALL +DTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPISPI +ETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQ +DFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMT +KILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIV +LPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDL +IAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEY +WQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLA +LQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVLFLDGI +DKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIE +AEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTGATVRAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQV +RDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRNPLWKGPAKLLWKG +EGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED +; +_struct_ref.pdbx_db_isoform ? +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 1HVR A 1 ? 99 ? P04585 57 ? 155 ? 1 99 +2 1 1HVR B 1 ? 99 ? P04585 57 ? 155 ? 1 99 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +1 1HVR ALA A 95 ? UNP P04585 CYS 151 conflict 95 1 +2 1HVR ALA B 95 ? UNP P04585 CYS 151 conflict 95 2 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 5250 ? +1 MORE -35 ? +1 'SSA (A^2)' 9040 ? +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +_struct_biol.id 1 +_struct_biol.details ? +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 HA GLY A 86 ? GLY A 94 ? GLY A 86 GLY A 94 1 ? 9 +HELX_P HELX_P2 HB GLY B 86 ? GLY B 94 ? GLY B 86 GLY B 94 1 ? 9 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +covale1 covale both ? A ILE 66 C ? ? ? 1_555 A CSO 67 N ? ? A ILE 66 A CSO 67 1_555 ? ? ? ? ? ? ? 1.332 ? ? +covale2 covale both ? A CSO 67 C ? ? ? 1_555 A GLY 68 N ? ? A CSO 67 A GLY 68 1_555 ? ? ? ? ? ? ? 1.335 ? ? +covale3 covale both ? B ILE 66 C ? ? ? 1_555 B CSO 67 N ? ? B ILE 66 B CSO 67 1_555 ? ? ? ? ? ? ? 1.303 ? ? +covale4 covale both ? B CSO 67 C ? ? ? 1_555 B GLY 68 N ? ? B CSO 67 B GLY 68 1_555 ? ? ? ? ? ? ? 1.333 ? ? +# +_struct_conn_type.id covale +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +loop_ +_pdbx_modification_feature.ordinal +_pdbx_modification_feature.label_comp_id +_pdbx_modification_feature.label_asym_id +_pdbx_modification_feature.label_seq_id +_pdbx_modification_feature.label_alt_id +_pdbx_modification_feature.modified_residue_label_comp_id +_pdbx_modification_feature.modified_residue_label_asym_id +_pdbx_modification_feature.modified_residue_label_seq_id +_pdbx_modification_feature.modified_residue_label_alt_id +_pdbx_modification_feature.auth_comp_id +_pdbx_modification_feature.auth_asym_id +_pdbx_modification_feature.auth_seq_id +_pdbx_modification_feature.PDB_ins_code +_pdbx_modification_feature.symmetry +_pdbx_modification_feature.modified_residue_auth_comp_id +_pdbx_modification_feature.modified_residue_auth_asym_id +_pdbx_modification_feature.modified_residue_auth_seq_id +_pdbx_modification_feature.modified_residue_PDB_ins_code +_pdbx_modification_feature.modified_residue_symmetry +_pdbx_modification_feature.comp_id_linking_atom +_pdbx_modification_feature.modified_residue_id_linking_atom +_pdbx_modification_feature.modified_residue_id +_pdbx_modification_feature.ref_pcm_id +_pdbx_modification_feature.ref_comp_id +_pdbx_modification_feature.type +_pdbx_modification_feature.category +1 CSO A 67 ? . . . . CSO A 67 ? 1_555 . . . . . . . CYS 1 CSO Hydroxylation 'Named protein modification' +2 CSO B 67 ? . . . . CSO B 67 ? 1_555 . . . . . . . CYS 1 CSO Hydroxylation 'Named protein modification' +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +COA ? 8 ? +COB ? 8 ? +INT ? 4 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +COA 1 2 ? anti-parallel +COA 2 3 ? anti-parallel +COA 3 4 ? parallel +COA 4 5 ? anti-parallel +COA 5 6 ? parallel +COA 6 7 ? anti-parallel +COA 7 8 ? anti-parallel +COB 1 2 ? anti-parallel +COB 2 3 ? anti-parallel +COB 3 4 ? parallel +COB 4 5 ? anti-parallel +COB 5 6 ? parallel +COB 6 7 ? anti-parallel +COB 7 8 ? anti-parallel +INT 1 2 ? anti-parallel +INT 2 3 ? anti-parallel +INT 3 4 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +COA 1 LYS A 43 ? GLY A 49 ? LYS A 43 GLY A 49 +COA 2 GLY A 52 ? ILE A 66 ? GLY A 52 ILE A 66 +COA 3 HIS A 69 ? GLY A 78 ? HIS A 69 GLY A 78 +COA 4 THR A 31 ? GLU A 34 ? THR A 31 GLU A 34 +COA 5 ASN A 83 ? ILE A 85 ? ASN A 83 ILE A 85 +COA 6 GLN A 18 ? ASP A 25 ? GLN A 18 ASP A 25 +COA 7 PRO A 9 ? ILE A 15 ? PRO A 9 ILE A 15 +COA 8 GLU A 65 ? ILE A 66 ? GLU A 65 ILE A 66 +COB 1 LYS B 43 ? GLY B 49 ? LYS B 43 GLY B 49 +COB 2 GLY B 52 ? ILE B 66 ? GLY B 52 ILE B 66 +COB 3 HIS B 69 ? GLY B 78 ? HIS B 69 GLY B 78 +COB 4 THR B 31 ? GLU B 34 ? THR B 31 GLU B 34 +COB 5 ASN B 83 ? ILE B 85 ? ASN B 83 ILE B 85 +COB 6 GLN B 18 ? ASP B 25 ? GLN B 18 ASP B 25 +COB 7 PRO B 9 ? ILE B 15 ? PRO B 9 ILE B 15 +COB 8 GLU B 65 ? ILE B 66 ? GLU B 65 ILE B 66 +INT 1 PRO A 1 ? THR A 4 ? PRO A 1 THR A 4 +INT 2 THR B 96 ? PHE B 99 ? THR B 96 PHE B 99 +INT 3 THR A 96 ? PHE A 99 ? THR A 96 PHE A 99 +INT 4 PRO B 1 ? THR B 4 ? PRO B 1 THR B 4 +# +_struct_site.id AC1 +_struct_site.pdbx_evidence_code Software +_struct_site.pdbx_auth_asym_id A +_struct_site.pdbx_auth_comp_id XK2 +_struct_site.pdbx_auth_seq_id 263 +_struct_site.pdbx_auth_ins_code ? +_struct_site.pdbx_num_residues 18 +_struct_site.details 'BINDING SITE FOR RESIDUE XK2 A 263' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 18 ARG A 8 ? ARG A 8 . ? 1_555 ? +2 AC1 18 ASP A 25 ? ASP A 25 . ? 1_555 ? +3 AC1 18 GLY A 27 ? GLY A 27 . ? 1_555 ? +4 AC1 18 ALA A 28 ? ALA A 28 . ? 1_555 ? +5 AC1 18 ASP A 30 ? ASP A 30 . ? 1_555 ? +6 AC1 18 GLY A 48 ? GLY A 48 . ? 1_555 ? +7 AC1 18 GLY A 49 ? GLY A 49 . ? 1_555 ? +8 AC1 18 ILE A 50 ? ILE A 50 . ? 1_555 ? +9 AC1 18 ILE A 84 ? ILE A 84 . ? 1_555 ? +10 AC1 18 ASP B 25 ? ASP B 25 . ? 1_555 ? +11 AC1 18 GLY B 27 ? GLY B 27 . ? 1_555 ? +12 AC1 18 ALA B 28 ? ALA B 28 . ? 1_555 ? +13 AC1 18 ASP B 30 ? ASP B 30 . ? 1_555 ? +14 AC1 18 VAL B 32 ? VAL B 32 . ? 1_555 ? +15 AC1 18 GLY B 48 ? GLY B 48 . ? 1_555 ? +16 AC1 18 GLY B 49 ? GLY B 49 . ? 1_555 ? +17 AC1 18 ILE B 50 ? ILE B 50 . ? 1_555 ? +18 AC1 18 PRO B 81 ? PRO B 81 . ? 1_555 ? +# +_pdbx_entry_details.entry_id 1HVR +_pdbx_entry_details.compound_details ? +_pdbx_entry_details.source_details ? +_pdbx_entry_details.nonpolymer_details ? +_pdbx_entry_details.sequence_details ? +_pdbx_entry_details.has_ligand_of_interest ? +_pdbx_entry_details.has_protein_modification Y +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 CE2 A TRP 6 ? ? CD2 A TRP 6 ? ? 1.487 1.409 0.078 0.012 N +2 1 CE2 A TRP 42 ? ? CD2 A TRP 42 ? ? 1.502 1.409 0.093 0.012 N +3 1 CE2 B TRP 6 ? ? CD2 B TRP 6 ? ? 1.490 1.409 0.081 0.012 N +4 1 CE2 B TRP 42 ? ? CD2 B TRP 42 ? ? 1.496 1.409 0.087 0.012 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 CB A ILE 15 ? ? CA A ILE 15 ? ? C A ILE 15 ? ? 98.44 111.60 -13.16 2.00 N +2 1 NE A ARG 87 ? ? CZ A ARG 87 ? ? NH1 A ARG 87 ? ? 125.00 120.30 4.70 0.50 N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 GLU A 35 ? ? -38.63 118.80 +2 1 PRO A 39 ? ? -53.44 99.94 +3 1 CSO A 67 ? ? 47.09 -153.40 +# +_pdbx_validate_peptide_omega.id 1 +_pdbx_validate_peptide_omega.PDB_model_num 1 +_pdbx_validate_peptide_omega.auth_comp_id_1 GLY +_pdbx_validate_peptide_omega.auth_asym_id_1 B +_pdbx_validate_peptide_omega.auth_seq_id_1 49 +_pdbx_validate_peptide_omega.PDB_ins_code_1 ? +_pdbx_validate_peptide_omega.label_alt_id_1 ? +_pdbx_validate_peptide_omega.auth_comp_id_2 ILE +_pdbx_validate_peptide_omega.auth_asym_id_2 B +_pdbx_validate_peptide_omega.auth_seq_id_2 50 +_pdbx_validate_peptide_omega.PDB_ins_code_2 ? +_pdbx_validate_peptide_omega.label_alt_id_2 ? +_pdbx_validate_peptide_omega.omega 147.56 +# +loop_ +_pdbx_struct_mod_residue.id +_pdbx_struct_mod_residue.label_asym_id +_pdbx_struct_mod_residue.label_comp_id +_pdbx_struct_mod_residue.label_seq_id +_pdbx_struct_mod_residue.auth_asym_id +_pdbx_struct_mod_residue.auth_comp_id +_pdbx_struct_mod_residue.auth_seq_id +_pdbx_struct_mod_residue.PDB_ins_code +_pdbx_struct_mod_residue.parent_comp_id +_pdbx_struct_mod_residue.details +1 A CSO 67 A CSO 67 ? CYS S-HYDROXYCYSTEINE +2 B CSO 67 B CSO 67 ? CYS S-HYDROXYCYSTEINE +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +ASP N N N N 58 +ASP CA C N S 59 +ASP C C N N 60 +ASP O O N N 61 +ASP CB C N N 62 +ASP CG C N N 63 +ASP OD1 O N N 64 +ASP OD2 O N N 65 +ASP OXT O N N 66 +ASP H H N N 67 +ASP H2 H N N 68 +ASP HA H N N 69 +ASP HB2 H N N 70 +ASP HB3 H N N 71 +ASP HD2 H N N 72 +ASP HXT H N N 73 +CSO N N N N 74 +CSO CA C N R 75 +CSO CB C N N 76 +CSO SG S N N 77 +CSO C C N N 78 +CSO O O N N 79 +CSO OXT O N N 80 +CSO OD O N N 81 +CSO H H N N 82 +CSO H2 H N N 83 +CSO HA H N N 84 +CSO HB2 H N N 85 +CSO HB3 H N N 86 +CSO HXT H N N 87 +CSO HD H N N 88 +CYS N N N N 89 +CYS CA C N R 90 +CYS C C N N 91 +CYS O O N N 92 +CYS CB C N N 93 +CYS SG S N N 94 +CYS OXT O N N 95 +CYS H H N N 96 +CYS H2 H N N 97 +CYS HA H N N 98 +CYS HB2 H N N 99 +CYS HB3 H N N 100 +CYS HG H N N 101 +CYS HXT H N N 102 +GLN N N N N 103 +GLN CA C N S 104 +GLN C C N N 105 +GLN O O N N 106 +GLN CB C N N 107 +GLN CG C N N 108 +GLN CD C N N 109 +GLN OE1 O N N 110 +GLN NE2 N N N 111 +GLN OXT O N N 112 +GLN H H N N 113 +GLN H2 H N N 114 +GLN HA H N N 115 +GLN HB2 H N N 116 +GLN HB3 H N N 117 +GLN HG2 H N N 118 +GLN HG3 H N N 119 +GLN HE21 H N N 120 +GLN HE22 H N N 121 +GLN HXT H N N 122 +GLU N N N N 123 +GLU CA C N S 124 +GLU C C N N 125 +GLU O O N N 126 +GLU CB C N N 127 +GLU CG C N N 128 +GLU CD C N N 129 +GLU OE1 O N N 130 +GLU OE2 O N N 131 +GLU OXT O N N 132 +GLU H H N N 133 +GLU H2 H N N 134 +GLU HA H N N 135 +GLU HB2 H N N 136 +GLU HB3 H N N 137 +GLU HG2 H N N 138 +GLU HG3 H N N 139 +GLU HE2 H N N 140 +GLU HXT H N N 141 +GLY N N N N 142 +GLY CA C N N 143 +GLY C C N N 144 +GLY O O N N 145 +GLY OXT O N N 146 +GLY H H N N 147 +GLY H2 H N N 148 +GLY HA2 H N N 149 +GLY HA3 H N N 150 +GLY HXT H N N 151 +HIS N N N N 152 +HIS CA C N S 153 +HIS C C N N 154 +HIS O O N N 155 +HIS CB C N N 156 +HIS CG C Y N 157 +HIS ND1 N Y N 158 +HIS CD2 C Y N 159 +HIS CE1 C Y N 160 +HIS NE2 N Y N 161 +HIS OXT O N N 162 +HIS H H N N 163 +HIS H2 H N N 164 +HIS HA H N N 165 +HIS HB2 H N N 166 +HIS HB3 H N N 167 +HIS HD1 H N N 168 +HIS HD2 H N N 169 +HIS HE1 H N N 170 +HIS HE2 H N N 171 +HIS HXT H N N 172 +ILE N N N N 173 +ILE CA C N S 174 +ILE C C N N 175 +ILE O O N N 176 +ILE CB C N S 177 +ILE CG1 C N N 178 +ILE CG2 C N N 179 +ILE CD1 C N N 180 +ILE OXT O N N 181 +ILE H H N N 182 +ILE H2 H N N 183 +ILE HA H N N 184 +ILE HB H N N 185 +ILE HG12 H N N 186 +ILE HG13 H N N 187 +ILE HG21 H N N 188 +ILE HG22 H N N 189 +ILE HG23 H N N 190 +ILE HD11 H N N 191 +ILE HD12 H N N 192 +ILE HD13 H N N 193 +ILE HXT H N N 194 +LEU N N N N 195 +LEU CA C N S 196 +LEU C C N N 197 +LEU O O N N 198 +LEU CB C N N 199 +LEU CG C N N 200 +LEU CD1 C N N 201 +LEU CD2 C N N 202 +LEU OXT O N N 203 +LEU H H N N 204 +LEU H2 H N N 205 +LEU HA H N N 206 +LEU HB2 H N N 207 +LEU HB3 H N N 208 +LEU HG H N N 209 +LEU HD11 H N N 210 +LEU HD12 H N N 211 +LEU HD13 H N N 212 +LEU HD21 H N N 213 +LEU HD22 H N N 214 +LEU HD23 H N N 215 +LEU HXT H N N 216 +LYS N N N N 217 +LYS CA C N S 218 +LYS C C N N 219 +LYS O O N N 220 +LYS CB C N N 221 +LYS CG C N N 222 +LYS CD C N N 223 +LYS CE C N N 224 +LYS NZ N N N 225 +LYS OXT O N N 226 +LYS H H N N 227 +LYS H2 H N N 228 +LYS HA H N N 229 +LYS HB2 H N N 230 +LYS HB3 H N N 231 +LYS HG2 H N N 232 +LYS HG3 H N N 233 +LYS HD2 H N N 234 +LYS HD3 H N N 235 +LYS HE2 H N N 236 +LYS HE3 H N N 237 +LYS HZ1 H N N 238 +LYS HZ2 H N N 239 +LYS HZ3 H N N 240 +LYS HXT H N N 241 +MET N N N N 242 +MET CA C N S 243 +MET C C N N 244 +MET O O N N 245 +MET CB C N N 246 +MET CG C N N 247 +MET SD S N N 248 +MET CE C N N 249 +MET OXT O N N 250 +MET H H N N 251 +MET H2 H N N 252 +MET HA H N N 253 +MET HB2 H N N 254 +MET HB3 H N N 255 +MET HG2 H N N 256 +MET HG3 H N N 257 +MET HE1 H N N 258 +MET HE2 H N N 259 +MET HE3 H N N 260 +MET HXT H N N 261 +PHE N N N N 262 +PHE CA C N S 263 +PHE C C N N 264 +PHE O O N N 265 +PHE CB C N N 266 +PHE CG C Y N 267 +PHE CD1 C Y N 268 +PHE CD2 C Y N 269 +PHE CE1 C Y N 270 +PHE CE2 C Y N 271 +PHE CZ C Y N 272 +PHE OXT O N N 273 +PHE H H N N 274 +PHE H2 H N N 275 +PHE HA H N N 276 +PHE HB2 H N N 277 +PHE HB3 H N N 278 +PHE HD1 H N N 279 +PHE HD2 H N N 280 +PHE HE1 H N N 281 +PHE HE2 H N N 282 +PHE HZ H N N 283 +PHE HXT H N N 284 +PRO N N N N 285 +PRO CA C N S 286 +PRO C C N N 287 +PRO O O N N 288 +PRO CB C N N 289 +PRO CG C N N 290 +PRO CD C N N 291 +PRO OXT O N N 292 +PRO H H N N 293 +PRO HA H N N 294 +PRO HB2 H N N 295 +PRO HB3 H N N 296 +PRO HG2 H N N 297 +PRO HG3 H N N 298 +PRO HD2 H N N 299 +PRO HD3 H N N 300 +PRO HXT H N N 301 +SER N N N N 302 +SER CA C N S 303 +SER C C N N 304 +SER O O N N 305 +SER CB C N N 306 +SER OG O N N 307 +SER OXT O N N 308 +SER H H N N 309 +SER H2 H N N 310 +SER HA H N N 311 +SER HB2 H N N 312 +SER HB3 H N N 313 +SER HG H N N 314 +SER HXT H N N 315 +THR N N N N 316 +THR CA C N S 317 +THR C C N N 318 +THR O O N N 319 +THR CB C N R 320 +THR OG1 O N N 321 +THR CG2 C N N 322 +THR OXT O N N 323 +THR H H N N 324 +THR H2 H N N 325 +THR HA H N N 326 +THR HB H N N 327 +THR HG1 H N N 328 +THR HG21 H N N 329 +THR HG22 H N N 330 +THR HG23 H N N 331 +THR HXT H N N 332 +TRP N N N N 333 +TRP CA C N S 334 +TRP C C N N 335 +TRP O O N N 336 +TRP CB C N N 337 +TRP CG C Y N 338 +TRP CD1 C Y N 339 +TRP CD2 C Y N 340 +TRP NE1 N Y N 341 +TRP CE2 C Y N 342 +TRP CE3 C Y N 343 +TRP CZ2 C Y N 344 +TRP CZ3 C Y N 345 +TRP CH2 C Y N 346 +TRP OXT O N N 347 +TRP H H N N 348 +TRP H2 H N N 349 +TRP HA H N N 350 +TRP HB2 H N N 351 +TRP HB3 H N N 352 +TRP HD1 H N N 353 +TRP HE1 H N N 354 +TRP HE3 H N N 355 +TRP HZ2 H N N 356 +TRP HZ3 H N N 357 +TRP HH2 H N N 358 +TRP HXT H N N 359 +TYR N N N N 360 +TYR CA C N S 361 +TYR C C N N 362 +TYR O O N N 363 +TYR CB C N N 364 +TYR CG C Y N 365 +TYR CD1 C Y N 366 +TYR CD2 C Y N 367 +TYR CE1 C Y N 368 +TYR CE2 C Y N 369 +TYR CZ C Y N 370 +TYR OH O N N 371 +TYR OXT O N N 372 +TYR H H N N 373 +TYR H2 H N N 374 +TYR HA H N N 375 +TYR HB2 H N N 376 +TYR HB3 H N N 377 +TYR HD1 H N N 378 +TYR HD2 H N N 379 +TYR HE1 H N N 380 +TYR HE2 H N N 381 +TYR HH H N N 382 +TYR HXT H N N 383 +VAL N N N N 384 +VAL CA C N S 385 +VAL C C N N 386 +VAL O O N N 387 +VAL CB C N N 388 +VAL CG1 C N N 389 +VAL CG2 C N N 390 +VAL OXT O N N 391 +VAL H H N N 392 +VAL H2 H N N 393 +VAL HA H N N 394 +VAL HB H N N 395 +VAL HG11 H N N 396 +VAL HG12 H N N 397 +VAL HG13 H N N 398 +VAL HG21 H N N 399 +VAL HG22 H N N 400 +VAL HG23 H N N 401 +VAL HXT H N N 402 +XK2 C1 C N N 403 +XK2 O1 O N N 404 +XK2 N2 N N N 405 +XK2 C2 C N N 406 +XK2 C3 C N R 407 +XK2 C4 C N S 408 +XK2 O4 O N N 409 +XK2 C5 C N S 410 +XK2 O5 O N N 411 +XK2 C6 C N R 412 +XK2 N7 N N N 413 +XK2 C7 C N N 414 +XK2 C20 C Y N 415 +XK2 C21 C Y N 416 +XK2 C22 C Y N 417 +XK2 C23 C Y N 418 +XK2 C24 C Y N 419 +XK2 C25 C Y N 420 +XK2 C26 C Y N 421 +XK2 C27 C Y N 422 +XK2 C28 C Y N 423 +XK2 C29 C Y N 424 +XK2 C31 C N N 425 +XK2 C32 C Y N 426 +XK2 C33 C Y N 427 +XK2 C34 C Y N 428 +XK2 C35 C Y N 429 +XK2 C36 C Y N 430 +XK2 C37 C Y N 431 +XK2 C61 C N N 432 +XK2 C62 C Y N 433 +XK2 C63 C Y N 434 +XK2 C64 C Y N 435 +XK2 C65 C Y N 436 +XK2 C66 C Y N 437 +XK2 C67 C Y N 438 +XK2 C70 C Y N 439 +XK2 C71 C Y N 440 +XK2 C72 C Y N 441 +XK2 C73 C Y N 442 +XK2 C74 C Y N 443 +XK2 C75 C Y N 444 +XK2 C76 C Y N 445 +XK2 C77 C Y N 446 +XK2 C78 C Y N 447 +XK2 C79 C Y N 448 +XK2 H21A H N N 449 +XK2 H22A H N N 450 +XK2 H3 H N N 451 +XK2 H4 H N N 452 +XK2 HO4 H N N 453 +XK2 H5 H N N 454 +XK2 HO5 H N N 455 +XK2 H6 H N N 456 +XK2 H71A H N N 457 +XK2 H72 H N N 458 +XK2 H21 H N N 459 +XK2 H22 H N N 460 +XK2 H24 H N N 461 +XK2 H25 H N N 462 +XK2 H26 H N N 463 +XK2 H27 H N N 464 +XK2 H29 H N N 465 +XK2 H311 H N N 466 +XK2 H312 H N N 467 +XK2 H33 H N N 468 +XK2 H34 H N N 469 +XK2 H35 H N N 470 +XK2 H36 H N N 471 +XK2 H37 H N N 472 +XK2 H611 H N N 473 +XK2 H612 H N N 474 +XK2 H63 H N N 475 +XK2 H64 H N N 476 +XK2 H65 H N N 477 +XK2 H66 H N N 478 +XK2 H67 H N N 479 +XK2 H71 H N N 480 +XK2 H73 H N N 481 +XK2 H74 H N N 482 +XK2 H75 H N N 483 +XK2 H76 H N N 484 +XK2 H78 H N N 485 +XK2 H79 H N N 486 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ALA N CA sing N N 1 +ALA N H sing N N 2 +ALA N H2 sing N N 3 +ALA CA C sing N N 4 +ALA CA CB sing N N 5 +ALA CA HA sing N N 6 +ALA C O doub N N 7 +ALA C OXT sing N N 8 +ALA CB HB1 sing N N 9 +ALA CB HB2 sing N N 10 +ALA CB HB3 sing N N 11 +ALA OXT HXT sing N N 12 +ARG N CA sing N N 13 +ARG N H sing N N 14 +ARG N H2 sing N N 15 +ARG CA C sing N N 16 +ARG CA CB sing N N 17 +ARG CA HA sing N N 18 +ARG C O doub N N 19 +ARG C OXT sing N N 20 +ARG CB CG sing N N 21 +ARG CB HB2 sing N N 22 +ARG CB HB3 sing N N 23 +ARG CG CD sing N N 24 +ARG CG HG2 sing N N 25 +ARG CG HG3 sing N N 26 +ARG CD NE sing N N 27 +ARG CD HD2 sing N N 28 +ARG CD HD3 sing N N 29 +ARG NE CZ sing N N 30 +ARG NE HE sing N N 31 +ARG CZ NH1 sing N N 32 +ARG CZ NH2 doub N N 33 +ARG NH1 HH11 sing N N 34 +ARG NH1 HH12 sing N N 35 +ARG NH2 HH21 sing N N 36 +ARG NH2 HH22 sing N N 37 +ARG OXT HXT sing N N 38 +ASN N CA sing N N 39 +ASN N H sing N N 40 +ASN N H2 sing N N 41 +ASN CA C sing N N 42 +ASN CA CB sing N N 43 +ASN CA HA sing N N 44 +ASN C O doub N N 45 +ASN C OXT sing N N 46 +ASN CB CG sing N N 47 +ASN CB HB2 sing N N 48 +ASN CB HB3 sing N N 49 +ASN CG OD1 doub N N 50 +ASN CG ND2 sing N N 51 +ASN ND2 HD21 sing N N 52 +ASN ND2 HD22 sing N N 53 +ASN OXT HXT sing N N 54 +ASP N CA sing N N 55 +ASP N H sing N N 56 +ASP N H2 sing N N 57 +ASP CA C sing N N 58 +ASP CA CB sing N N 59 +ASP CA HA sing N N 60 +ASP C O doub N N 61 +ASP C OXT sing N N 62 +ASP CB CG sing N N 63 +ASP CB HB2 sing N N 64 +ASP CB HB3 sing N N 65 +ASP CG OD1 doub N N 66 +ASP CG OD2 sing N N 67 +ASP OD2 HD2 sing N N 68 +ASP OXT HXT sing N N 69 +CSO N CA sing N N 70 +CSO N H sing N N 71 +CSO N H2 sing N N 72 +CSO CA CB sing N N 73 +CSO CA C sing N N 74 +CSO CA HA sing N N 75 +CSO CB SG sing N N 76 +CSO CB HB2 sing N N 77 +CSO CB HB3 sing N N 78 +CSO SG OD sing N N 79 +CSO C O doub N N 80 +CSO C OXT sing N N 81 +CSO OXT HXT sing N N 82 +CSO OD HD sing N N 83 +CYS N CA sing N N 84 +CYS N H sing N N 85 +CYS N H2 sing N N 86 +CYS CA C sing N N 87 +CYS CA CB sing N N 88 +CYS CA HA sing N N 89 +CYS C O doub N N 90 +CYS C OXT sing N N 91 +CYS CB SG sing N N 92 +CYS CB HB2 sing N N 93 +CYS CB HB3 sing N N 94 +CYS SG HG sing N N 95 +CYS OXT HXT sing N N 96 +GLN N CA sing N N 97 +GLN N H sing N N 98 +GLN N H2 sing N N 99 +GLN CA C sing N N 100 +GLN CA CB sing N N 101 +GLN CA HA sing N N 102 +GLN C O doub N N 103 +GLN C OXT sing N N 104 +GLN CB CG sing N N 105 +GLN CB HB2 sing N N 106 +GLN CB HB3 sing N N 107 +GLN CG CD sing N N 108 +GLN CG HG2 sing N N 109 +GLN CG HG3 sing N N 110 +GLN CD OE1 doub N N 111 +GLN CD NE2 sing N N 112 +GLN NE2 HE21 sing N N 113 +GLN NE2 HE22 sing N N 114 +GLN OXT HXT sing N N 115 +GLU N CA sing N N 116 +GLU N H sing N N 117 +GLU N H2 sing N N 118 +GLU CA C sing N N 119 +GLU CA CB sing N N 120 +GLU CA HA sing N N 121 +GLU C O doub N N 122 +GLU C OXT sing N N 123 +GLU CB CG sing N N 124 +GLU CB HB2 sing N N 125 +GLU CB HB3 sing N N 126 +GLU CG CD sing N N 127 +GLU CG HG2 sing N N 128 +GLU CG HG3 sing N N 129 +GLU CD OE1 doub N N 130 +GLU CD OE2 sing N N 131 +GLU OE2 HE2 sing N N 132 +GLU OXT HXT sing N N 133 +GLY N CA sing N N 134 +GLY N H sing N N 135 +GLY N H2 sing N N 136 +GLY CA C sing N N 137 +GLY CA HA2 sing N N 138 +GLY CA HA3 sing N N 139 +GLY C O doub N N 140 +GLY C OXT sing N N 141 +GLY OXT HXT sing N N 142 +HIS N CA sing N N 143 +HIS N H sing N N 144 +HIS N H2 sing N N 145 +HIS CA C sing N N 146 +HIS CA CB sing N N 147 +HIS CA HA sing N N 148 +HIS C O doub N N 149 +HIS C OXT sing N N 150 +HIS CB CG sing N N 151 +HIS CB HB2 sing N N 152 +HIS CB HB3 sing N N 153 +HIS CG ND1 sing Y N 154 +HIS CG CD2 doub Y N 155 +HIS ND1 CE1 doub Y N 156 +HIS ND1 HD1 sing N N 157 +HIS CD2 NE2 sing Y N 158 +HIS CD2 HD2 sing N N 159 +HIS CE1 NE2 sing Y N 160 +HIS CE1 HE1 sing N N 161 +HIS NE2 HE2 sing N N 162 +HIS OXT HXT sing N N 163 +ILE N CA sing N N 164 +ILE N H sing N N 165 +ILE N H2 sing N N 166 +ILE CA C sing N N 167 +ILE CA CB sing N N 168 +ILE CA HA sing N N 169 +ILE C O doub N N 170 +ILE C OXT sing N N 171 +ILE CB CG1 sing N N 172 +ILE CB CG2 sing N N 173 +ILE CB HB sing N N 174 +ILE CG1 CD1 sing N N 175 +ILE CG1 HG12 sing N N 176 +ILE CG1 HG13 sing N N 177 +ILE CG2 HG21 sing N N 178 +ILE CG2 HG22 sing N N 179 +ILE CG2 HG23 sing N N 180 +ILE CD1 HD11 sing N N 181 +ILE CD1 HD12 sing N N 182 +ILE CD1 HD13 sing N N 183 +ILE OXT HXT sing N N 184 +LEU N CA sing N N 185 +LEU N H sing N N 186 +LEU N H2 sing N N 187 +LEU CA C sing N N 188 +LEU CA CB sing N N 189 +LEU CA HA sing N N 190 +LEU C O doub N N 191 +LEU C OXT sing N N 192 +LEU CB CG sing N N 193 +LEU CB HB2 sing N N 194 +LEU CB HB3 sing N N 195 +LEU CG CD1 sing N N 196 +LEU CG CD2 sing N N 197 +LEU CG HG sing N N 198 +LEU CD1 HD11 sing N N 199 +LEU CD1 HD12 sing N N 200 +LEU CD1 HD13 sing N N 201 +LEU CD2 HD21 sing N N 202 +LEU CD2 HD22 sing N N 203 +LEU CD2 HD23 sing N N 204 +LEU OXT HXT sing N N 205 +LYS N CA sing N N 206 +LYS N H sing N N 207 +LYS N H2 sing N N 208 +LYS CA C sing N N 209 +LYS CA CB sing N N 210 +LYS CA HA sing N N 211 +LYS C O doub N N 212 +LYS C OXT sing N N 213 +LYS CB CG sing N N 214 +LYS CB HB2 sing N N 215 +LYS CB HB3 sing N N 216 +LYS CG CD sing N N 217 +LYS CG HG2 sing N N 218 +LYS CG HG3 sing N N 219 +LYS CD CE sing N N 220 +LYS CD HD2 sing N N 221 +LYS CD HD3 sing N N 222 +LYS CE NZ sing N N 223 +LYS CE HE2 sing N N 224 +LYS CE HE3 sing N N 225 +LYS NZ HZ1 sing N N 226 +LYS NZ HZ2 sing N N 227 +LYS NZ HZ3 sing N N 228 +LYS OXT HXT sing N N 229 +MET N CA sing N N 230 +MET N H sing N N 231 +MET N H2 sing N N 232 +MET CA C sing N N 233 +MET CA CB sing N N 234 +MET CA HA sing N N 235 +MET C O doub N N 236 +MET C OXT sing N N 237 +MET CB CG sing N N 238 +MET CB HB2 sing N N 239 +MET CB HB3 sing N N 240 +MET CG SD sing N N 241 +MET CG HG2 sing N N 242 +MET CG HG3 sing N N 243 +MET SD CE sing N N 244 +MET CE HE1 sing N N 245 +MET CE HE2 sing N N 246 +MET CE HE3 sing N N 247 +MET OXT HXT sing N N 248 +PHE N CA sing N N 249 +PHE N H sing N N 250 +PHE N H2 sing N N 251 +PHE CA C sing N N 252 +PHE CA CB sing N N 253 +PHE CA HA sing N N 254 +PHE C O doub N N 255 +PHE C OXT sing N N 256 +PHE CB CG sing N N 257 +PHE CB HB2 sing N N 258 +PHE CB HB3 sing N N 259 +PHE CG CD1 doub Y N 260 +PHE CG CD2 sing Y N 261 +PHE CD1 CE1 sing Y N 262 +PHE CD1 HD1 sing N N 263 +PHE CD2 CE2 doub Y N 264 +PHE CD2 HD2 sing N N 265 +PHE CE1 CZ doub Y N 266 +PHE CE1 HE1 sing N N 267 +PHE CE2 CZ sing Y N 268 +PHE CE2 HE2 sing N N 269 +PHE CZ HZ sing N N 270 +PHE OXT HXT sing N N 271 +PRO N CA sing N N 272 +PRO N CD sing N N 273 +PRO N H sing N N 274 +PRO CA C sing N N 275 +PRO CA CB sing N N 276 +PRO CA HA sing N N 277 +PRO C O doub N N 278 +PRO C OXT sing N N 279 +PRO CB CG sing N N 280 +PRO CB HB2 sing N N 281 +PRO CB HB3 sing N N 282 +PRO CG CD sing N N 283 +PRO CG HG2 sing N N 284 +PRO CG HG3 sing N N 285 +PRO CD HD2 sing N N 286 +PRO CD HD3 sing N N 287 +PRO OXT HXT sing N N 288 +SER N CA sing N N 289 +SER N H sing N N 290 +SER N H2 sing N N 291 +SER CA C sing N N 292 +SER CA CB sing N N 293 +SER CA HA sing N N 294 +SER C O doub N N 295 +SER C OXT sing N N 296 +SER CB OG sing N N 297 +SER CB HB2 sing N N 298 +SER CB HB3 sing N N 299 +SER OG HG sing N N 300 +SER OXT HXT sing N N 301 +THR N CA sing N N 302 +THR N H sing N N 303 +THR N H2 sing N N 304 +THR CA C sing N N 305 +THR CA CB sing N N 306 +THR CA HA sing N N 307 +THR C O doub N N 308 +THR C OXT sing N N 309 +THR CB OG1 sing N N 310 +THR CB CG2 sing N N 311 +THR CB HB sing N N 312 +THR OG1 HG1 sing N N 313 +THR CG2 HG21 sing N N 314 +THR CG2 HG22 sing N N 315 +THR CG2 HG23 sing N N 316 +THR OXT HXT sing N N 317 +TRP N CA sing N N 318 +TRP N H sing N N 319 +TRP N H2 sing N N 320 +TRP CA C sing N N 321 +TRP CA CB sing N N 322 +TRP CA HA sing N N 323 +TRP C O doub N N 324 +TRP C OXT sing N N 325 +TRP CB CG sing N N 326 +TRP CB HB2 sing N N 327 +TRP CB HB3 sing N N 328 +TRP CG CD1 doub Y N 329 +TRP CG CD2 sing Y N 330 +TRP CD1 NE1 sing Y N 331 +TRP CD1 HD1 sing N N 332 +TRP CD2 CE2 doub Y N 333 +TRP CD2 CE3 sing Y N 334 +TRP NE1 CE2 sing Y N 335 +TRP NE1 HE1 sing N N 336 +TRP CE2 CZ2 sing Y N 337 +TRP CE3 CZ3 doub Y N 338 +TRP CE3 HE3 sing N N 339 +TRP CZ2 CH2 doub Y N 340 +TRP CZ2 HZ2 sing N N 341 +TRP CZ3 CH2 sing Y N 342 +TRP CZ3 HZ3 sing N N 343 +TRP CH2 HH2 sing N N 344 +TRP OXT HXT sing N N 345 +TYR N CA sing N N 346 +TYR N H sing N N 347 +TYR N H2 sing N N 348 +TYR CA C sing N N 349 +TYR CA CB sing N N 350 +TYR CA HA sing N N 351 +TYR C O doub N N 352 +TYR C OXT sing N N 353 +TYR CB CG sing N N 354 +TYR CB HB2 sing N N 355 +TYR CB HB3 sing N N 356 +TYR CG CD1 doub Y N 357 +TYR CG CD2 sing Y N 358 +TYR CD1 CE1 sing Y N 359 +TYR CD1 HD1 sing N N 360 +TYR CD2 CE2 doub Y N 361 +TYR CD2 HD2 sing N N 362 +TYR CE1 CZ doub Y N 363 +TYR CE1 HE1 sing N N 364 +TYR CE2 CZ sing Y N 365 +TYR CE2 HE2 sing N N 366 +TYR CZ OH sing N N 367 +TYR OH HH sing N N 368 +TYR OXT HXT sing N N 369 +VAL N CA sing N N 370 +VAL N H sing N N 371 +VAL N H2 sing N N 372 +VAL CA C sing N N 373 +VAL CA CB sing N N 374 +VAL CA HA sing N N 375 +VAL C O doub N N 376 +VAL C OXT sing N N 377 +VAL CB CG1 sing N N 378 +VAL CB CG2 sing N N 379 +VAL CB HB sing N N 380 +VAL CG1 HG11 sing N N 381 +VAL CG1 HG12 sing N N 382 +VAL CG1 HG13 sing N N 383 +VAL CG2 HG21 sing N N 384 +VAL CG2 HG22 sing N N 385 +VAL CG2 HG23 sing N N 386 +VAL OXT HXT sing N N 387 +XK2 C1 O1 doub N N 388 +XK2 C1 N2 sing N N 389 +XK2 C1 N7 sing N N 390 +XK2 N2 C2 sing N N 391 +XK2 N2 C3 sing N N 392 +XK2 C2 C20 sing N N 393 +XK2 C2 H21A sing N N 394 +XK2 C2 H22A sing N N 395 +XK2 C3 C4 sing N N 396 +XK2 C3 C31 sing N N 397 +XK2 C3 H3 sing N N 398 +XK2 C4 O4 sing N N 399 +XK2 C4 C5 sing N N 400 +XK2 C4 H4 sing N N 401 +XK2 O4 HO4 sing N N 402 +XK2 C5 O5 sing N N 403 +XK2 C5 C6 sing N N 404 +XK2 C5 H5 sing N N 405 +XK2 O5 HO5 sing N N 406 +XK2 C6 N7 sing N N 407 +XK2 C6 C61 sing N N 408 +XK2 C6 H6 sing N N 409 +XK2 N7 C7 sing N N 410 +XK2 C7 C70 sing N N 411 +XK2 C7 H71A sing N N 412 +XK2 C7 H72 sing N N 413 +XK2 C20 C21 doub Y N 414 +XK2 C20 C29 sing Y N 415 +XK2 C21 C22 sing Y N 416 +XK2 C21 H21 sing N N 417 +XK2 C22 C23 doub Y N 418 +XK2 C22 H22 sing N N 419 +XK2 C23 C24 sing Y N 420 +XK2 C23 C28 sing Y N 421 +XK2 C24 C25 doub Y N 422 +XK2 C24 H24 sing N N 423 +XK2 C25 C26 sing Y N 424 +XK2 C25 H25 sing N N 425 +XK2 C26 C27 doub Y N 426 +XK2 C26 H26 sing N N 427 +XK2 C27 C28 sing Y N 428 +XK2 C27 H27 sing N N 429 +XK2 C28 C29 doub Y N 430 +XK2 C29 H29 sing N N 431 +XK2 C31 C32 sing N N 432 +XK2 C31 H311 sing N N 433 +XK2 C31 H312 sing N N 434 +XK2 C32 C33 doub Y N 435 +XK2 C32 C37 sing Y N 436 +XK2 C33 C34 sing Y N 437 +XK2 C33 H33 sing N N 438 +XK2 C34 C35 doub Y N 439 +XK2 C34 H34 sing N N 440 +XK2 C35 C36 sing Y N 441 +XK2 C35 H35 sing N N 442 +XK2 C36 C37 doub Y N 443 +XK2 C36 H36 sing N N 444 +XK2 C37 H37 sing N N 445 +XK2 C61 C62 sing N N 446 +XK2 C61 H611 sing N N 447 +XK2 C61 H612 sing N N 448 +XK2 C62 C63 doub Y N 449 +XK2 C62 C67 sing Y N 450 +XK2 C63 C64 sing Y N 451 +XK2 C63 H63 sing N N 452 +XK2 C64 C65 doub Y N 453 +XK2 C64 H64 sing N N 454 +XK2 C65 C66 sing Y N 455 +XK2 C65 H65 sing N N 456 +XK2 C66 C67 doub Y N 457 +XK2 C66 H66 sing N N 458 +XK2 C67 H67 sing N N 459 +XK2 C70 C71 doub Y N 460 +XK2 C70 C79 sing Y N 461 +XK2 C71 C72 sing Y N 462 +XK2 C71 H71 sing N N 463 +XK2 C72 C73 doub Y N 464 +XK2 C72 C77 sing Y N 465 +XK2 C73 C74 sing Y N 466 +XK2 C73 H73 sing N N 467 +XK2 C74 C75 doub Y N 468 +XK2 C74 H74 sing N N 469 +XK2 C75 C76 sing Y N 470 +XK2 C75 H75 sing N N 471 +XK2 C76 C77 doub Y N 472 +XK2 C76 H76 sing N N 473 +XK2 C77 C78 sing Y N 474 +XK2 C78 C79 doub Y N 475 +XK2 C78 H78 sing N N 476 +XK2 C79 H79 sing N N 477 +# +_atom_sites.entry_id 1HVR +_atom_sites.fract_transf_matrix[1][1] 0.015924 +_atom_sites.fract_transf_matrix[1][2] 0.009193 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.018387 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.011976 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_sites_footnote.id +_atom_sites_footnote.text +1 'GLY B 49 - ILE B 50 OMEGA = 147.56 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION' +2 +;THERE ARE HYDROXYL GROUPS COVALENTLY BOUND TO SG CYS A 67 AND SG CYS B 67. THEY ARE PRESENTED ON HETATM RECORDS FOLLOWING THE END OF EACH CHAIN. +; +# +loop_ +_atom_type.symbol +C +H +N +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . PRO A 1 1 ? -12.735 38.918 31.287 1.00 39.83 ? 1 PRO A N 1 +ATOM 2 C CA . PRO A 1 1 ? -12.709 39.097 29.830 1.00 39.29 ? 1 PRO A CA 1 +ATOM 3 C C . PRO A 1 1 ? -13.575 38.051 29.162 1.00 39.78 ? 1 PRO A C 1 +ATOM 4 O O . PRO A 1 1 ? -14.097 37.126 29.753 1.00 38.67 ? 1 PRO A O 1 +ATOM 5 C CB . PRO A 1 1 ? -11.243 39.010 29.398 1.00 37.79 ? 1 PRO A CB 1 +ATOM 6 C CG . PRO A 1 1 ? -10.636 38.128 30.469 1.00 38.69 ? 1 PRO A CG 1 +ATOM 7 C CD . PRO A 1 1 ? -11.368 38.593 31.729 1.00 37.10 ? 1 PRO A CD 1 +ATOM 8 H H2 . PRO A 1 1 ? -13.142 39.756 31.758 0.00 15.00 ? 1 PRO A H2 1 +ATOM 9 H H3 . PRO A 1 1 ? -13.429 38.158 31.502 0.00 15.00 ? 1 PRO A H3 1 +ATOM 10 N N . GLN A 1 2 ? -13.682 38.255 27.876 1.00 41.01 ? 2 GLN A N 1 +ATOM 11 C CA . GLN A 1 2 ? -14.320 37.303 26.995 1.00 41.44 ? 2 GLN A CA 1 +ATOM 12 C C . GLN A 1 2 ? -13.161 36.667 26.252 1.00 40.17 ? 2 GLN A C 1 +ATOM 13 O O . GLN A 1 2 ? -12.199 37.328 25.864 1.00 40.15 ? 2 GLN A O 1 +ATOM 14 C CB . GLN A 1 2 ? -15.221 38.120 26.074 1.00 44.01 ? 2 GLN A CB 1 +ATOM 15 C CG . GLN A 1 2 ? -16.190 37.395 25.158 1.00 47.63 ? 2 GLN A CG 1 +ATOM 16 C CD . GLN A 1 2 ? -16.623 38.390 24.092 1.00 55.40 ? 2 GLN A CD 1 +ATOM 17 O OE1 . GLN A 1 2 ? -16.247 38.312 22.930 1.00 57.40 ? 2 GLN A OE1 1 +ATOM 18 N NE2 . GLN A 1 2 ? -17.374 39.400 24.512 1.00 56.76 ? 2 GLN A NE2 1 +ATOM 19 H H . GLN A 1 2 ? -13.185 38.995 27.427 0.00 15.00 ? 2 GLN A H 1 +ATOM 20 H HE21 . GLN A 1 2 ? -17.652 40.125 23.878 0.00 15.00 ? 2 GLN A HE21 1 +ATOM 21 H HE22 . GLN A 1 2 ? -17.694 39.448 25.458 0.00 15.00 ? 2 GLN A HE22 1 +ATOM 22 N N . VAL A 1 3 ? -13.253 35.366 26.117 1.00 35.97 ? 3 VAL A N 1 +ATOM 23 C CA . VAL A 1 3 ? -12.269 34.588 25.374 1.00 34.64 ? 3 VAL A CA 1 +ATOM 24 C C . VAL A 1 3 ? -13.029 33.962 24.196 1.00 32.45 ? 3 VAL A C 1 +ATOM 25 O O . VAL A 1 3 ? -14.003 33.234 24.394 1.00 31.41 ? 3 VAL A O 1 +ATOM 26 C CB . VAL A 1 3 ? -11.730 33.474 26.320 1.00 35.21 ? 3 VAL A CB 1 +ATOM 27 C CG1 . VAL A 1 3 ? -10.597 32.691 25.660 1.00 36.15 ? 3 VAL A CG1 1 +ATOM 28 C CG2 . VAL A 1 3 ? -11.293 33.952 27.723 1.00 34.78 ? 3 VAL A CG2 1 +ATOM 29 H H . VAL A 1 3 ? -14.058 34.893 26.477 0.00 15.00 ? 3 VAL A H 1 +ATOM 30 N N . THR A 1 4 ? -12.612 34.301 22.976 1.00 29.04 ? 4 THR A N 1 +ATOM 31 C CA . THR A 1 4 ? -13.127 33.558 21.845 1.00 25.02 ? 4 THR A CA 1 +ATOM 32 C C . THR A 1 4 ? -12.159 32.418 21.669 1.00 25.43 ? 4 THR A C 1 +ATOM 33 O O . THR A 1 4 ? -11.038 32.479 22.141 1.00 27.66 ? 4 THR A O 1 +ATOM 34 C CB . THR A 1 4 ? -13.237 34.425 20.555 1.00 26.90 ? 4 THR A CB 1 +ATOM 35 O OG1 . THR A 1 4 ? -11.953 34.894 20.130 1.00 27.46 ? 4 THR A OG1 1 +ATOM 36 C CG2 . THR A 1 4 ? -14.202 35.617 20.673 1.00 25.56 ? 4 THR A CG2 1 +ATOM 37 H H . THR A 1 4 ? -11.801 34.863 22.831 0.00 15.00 ? 4 THR A H 1 +ATOM 38 H HG1 . THR A 1 4 ? -12.071 35.428 19.325 0.00 15.00 ? 4 THR A HG1 1 +ATOM 39 N N . LEU A 1 5 ? -12.618 31.395 21.004 1.00 25.56 ? 5 LEU A N 1 +ATOM 40 C CA . LEU A 1 5 ? -11.920 30.110 21.049 1.00 23.26 ? 5 LEU A CA 1 +ATOM 41 C C . LEU A 1 5 ? -11.199 29.773 19.773 1.00 20.77 ? 5 LEU A C 1 +ATOM 42 O O . LEU A 1 5 ? -11.099 28.619 19.382 1.00 22.92 ? 5 LEU A O 1 +ATOM 43 C CB . LEU A 1 5 ? -12.954 29.000 21.285 1.00 19.11 ? 5 LEU A CB 1 +ATOM 44 C CG . LEU A 1 5 ? -13.442 28.734 22.702 1.00 19.89 ? 5 LEU A CG 1 +ATOM 45 C CD1 . LEU A 1 5 ? -12.580 29.280 23.843 1.00 18.68 ? 5 LEU A CD1 1 +ATOM 46 C CD2 . LEU A 1 5 ? -14.901 29.033 22.745 1.00 21.79 ? 5 LEU A CD2 1 +ATOM 47 H H . LEU A 1 5 ? -13.486 31.467 20.508 0.00 15.00 ? 5 LEU A H 1 +ATOM 48 N N . TRP A 1 6 ? -10.681 30.790 19.105 1.00 20.85 ? 6 TRP A N 1 +ATOM 49 C CA . TRP A 1 6 ? -9.891 30.544 17.902 1.00 18.99 ? 6 TRP A CA 1 +ATOM 50 C C . TRP A 1 6 ? -8.489 30.171 18.246 1.00 23.03 ? 6 TRP A C 1 +ATOM 51 O O . TRP A 1 6 ? -7.745 29.659 17.420 1.00 23.79 ? 6 TRP A O 1 +ATOM 52 C CB . TRP A 1 6 ? -9.698 31.798 17.052 1.00 23.89 ? 6 TRP A CB 1 +ATOM 53 C CG . TRP A 1 6 ? -11.048 32.302 16.696 1.00 20.89 ? 6 TRP A CG 1 +ATOM 54 C CD1 . TRP A 1 6 ? -11.858 33.131 17.471 1.00 21.24 ? 6 TRP A CD1 1 +ATOM 55 C CD2 . TRP A 1 6 ? -11.804 31.923 15.616 1.00 20.43 ? 6 TRP A CD2 1 +ATOM 56 N NE1 . TRP A 1 6 ? -13.092 33.287 16.966 1.00 23.41 ? 6 TRP A NE1 1 +ATOM 57 C CE2 . TRP A 1 6 ? -13.130 32.566 15.812 1.00 21.05 ? 6 TRP A CE2 1 +ATOM 58 C CE3 . TRP A 1 6 ? -11.538 31.151 14.478 1.00 24.99 ? 6 TRP A CE3 1 +ATOM 59 C CZ2 . TRP A 1 6 ? -14.130 32.381 14.829 1.00 24.72 ? 6 TRP A CZ2 1 +ATOM 60 C CZ3 . TRP A 1 6 ? -12.567 31.005 13.511 1.00 24.28 ? 6 TRP A CZ3 1 +ATOM 61 C CH2 . TRP A 1 6 ? -13.839 31.606 13.679 1.00 22.25 ? 6 TRP A CH2 1 +ATOM 62 H H . TRP A 1 6 ? -10.745 31.705 19.499 0.00 15.00 ? 6 TRP A H 1 +ATOM 63 H HE1 . TRP A 1 6 ? -13.804 33.839 17.351 0.00 15.00 ? 6 TRP A HE1 1 +ATOM 64 N N . GLN A 1 7 ? -8.144 30.475 19.476 1.00 25.21 ? 7 GLN A N 1 +ATOM 65 C CA . GLN A 1 7 ? -6.832 30.207 20.065 1.00 28.26 ? 7 GLN A CA 1 +ATOM 66 C C . GLN A 1 7 ? -7.054 29.249 21.206 1.00 24.32 ? 7 GLN A C 1 +ATOM 67 O O . GLN A 1 7 ? -8.130 29.257 21.772 1.00 21.57 ? 7 GLN A O 1 +ATOM 68 C CB . GLN A 1 7 ? -6.392 31.535 20.721 1.00 36.97 ? 7 GLN A CB 1 +ATOM 69 C CG . GLN A 1 7 ? -7.530 32.429 21.389 1.00 42.82 ? 7 GLN A CG 1 +ATOM 70 C CD . GLN A 1 7 ? -8.068 32.183 22.843 1.00 44.71 ? 7 GLN A CD 1 +ATOM 71 O OE1 . GLN A 1 7 ? -8.919 31.355 23.168 1.00 44.10 ? 7 GLN A OE1 1 +ATOM 72 N NE2 . GLN A 1 7 ? -7.573 33.053 23.740 1.00 45.25 ? 7 GLN A NE2 1 +ATOM 73 H H . GLN A 1 7 ? -8.835 30.773 20.136 0.00 15.00 ? 7 GLN A H 1 +ATOM 74 H HE21 . GLN A 1 7 ? -7.917 33.064 24.676 0.00 15.00 ? 7 GLN A HE21 1 +ATOM 75 H HE22 . GLN A 1 7 ? -6.852 33.693 23.485 0.00 15.00 ? 7 GLN A HE22 1 +ATOM 76 N N . ARG A 1 8 ? -6.043 28.501 21.611 1.00 22.62 ? 8 ARG A N 1 +ATOM 77 C CA . ARG A 1 8 ? -6.232 27.848 22.918 1.00 24.61 ? 8 ARG A CA 1 +ATOM 78 C C . ARG A 1 8 ? -6.497 28.885 24.007 1.00 23.56 ? 8 ARG A C 1 +ATOM 79 O O . ARG A 1 8 ? -5.768 29.873 24.059 1.00 20.75 ? 8 ARG A O 1 +ATOM 80 C CB . ARG A 1 8 ? -4.994 27.014 23.341 1.00 29.64 ? 8 ARG A CB 1 +ATOM 81 C CG . ARG A 1 8 ? -4.893 25.664 22.642 1.00 36.79 ? 8 ARG A CG 1 +ATOM 82 C CD . ARG A 1 8 ? -3.726 24.784 23.138 1.00 39.75 ? 8 ARG A CD 1 +ATOM 83 N NE . ARG A 1 8 ? -3.819 23.390 22.632 1.00 42.03 ? 8 ARG A NE 1 +ATOM 84 C CZ . ARG A 1 8 ? -3.288 22.328 23.296 1.00 41.92 ? 8 ARG A CZ 1 +ATOM 85 N NH1 . ARG A 1 8 ? -2.552 22.483 24.391 1.00 46.64 ? 8 ARG A NH1 1 +ATOM 86 N NH2 . ARG A 1 8 ? -3.494 21.076 22.873 1.00 45.54 ? 8 ARG A NH2 1 +ATOM 87 H H . ARG A 1 8 ? -5.213 28.378 21.064 0.00 15.00 ? 8 ARG A H 1 +ATOM 88 H HE . ARG A 1 8 ? -4.324 23.228 21.784 0.00 15.00 ? 8 ARG A HE 1 +ATOM 89 H HH11 . ARG A 1 8 ? -2.374 23.397 24.755 0.00 15.00 ? 8 ARG A HH11 1 +ATOM 90 H HH12 . ARG A 1 8 ? -2.175 21.681 24.854 0.00 15.00 ? 8 ARG A HH12 1 +ATOM 91 H HH21 . ARG A 1 8 ? -4.047 20.907 22.057 0.00 15.00 ? 8 ARG A HH21 1 +ATOM 92 H HH22 . ARG A 1 8 ? -3.095 20.309 23.374 0.00 15.00 ? 8 ARG A HH22 1 +ATOM 93 N N . PRO A 1 9 ? -7.536 28.661 24.834 1.00 19.38 ? 9 PRO A N 1 +ATOM 94 C CA . PRO A 1 9 ? -7.769 29.631 25.882 1.00 18.65 ? 9 PRO A CA 1 +ATOM 95 C C . PRO A 1 9 ? -6.747 29.433 26.994 1.00 19.81 ? 9 PRO A C 1 +ATOM 96 O O . PRO A 1 9 ? -6.969 28.695 27.938 1.00 20.21 ? 9 PRO A O 1 +ATOM 97 C CB . PRO A 1 9 ? -9.251 29.345 26.223 1.00 17.71 ? 9 PRO A CB 1 +ATOM 98 C CG . PRO A 1 9 ? -9.429 27.855 26.000 1.00 17.53 ? 9 PRO A CG 1 +ATOM 99 C CD . PRO A 1 9 ? -8.542 27.595 24.797 1.00 17.09 ? 9 PRO A CD 1 +ATOM 100 N N . LEU A 1 10 ? -5.587 30.070 26.850 1.00 19.09 ? 10 LEU A N 1 +ATOM 101 C CA . LEU A 1 10 ? -4.573 29.932 27.892 1.00 18.46 ? 10 LEU A CA 1 +ATOM 102 C C . LEU A 1 10 ? -4.515 31.109 28.780 1.00 19.62 ? 10 LEU A C 1 +ATOM 103 O O . LEU A 1 10 ? -4.677 32.228 28.318 1.00 22.21 ? 10 LEU A O 1 +ATOM 104 C CB . LEU A 1 10 ? -3.202 29.954 27.285 1.00 19.23 ? 10 LEU A CB 1 +ATOM 105 C CG . LEU A 1 10 ? -2.781 28.744 26.503 1.00 18.37 ? 10 LEU A CG 1 +ATOM 106 C CD1 . LEU A 1 10 ? -1.439 29.103 25.866 1.00 22.57 ? 10 LEU A CD1 1 +ATOM 107 C CD2 . LEU A 1 10 ? -2.698 27.496 27.399 1.00 22.45 ? 10 LEU A CD2 1 +ATOM 108 H H . LEU A 1 10 ? -5.431 30.673 26.068 0.00 15.00 ? 10 LEU A H 1 +ATOM 109 N N . VAL A 1 11 ? -4.233 30.879 30.030 1.00 17.76 ? 11 VAL A N 1 +ATOM 110 C CA . VAL A 1 11 ? -4.172 32.041 30.905 1.00 20.80 ? 11 VAL A CA 1 +ATOM 111 C C . VAL A 1 11 ? -2.926 31.965 31.780 1.00 22.54 ? 11 VAL A C 1 +ATOM 112 O O . VAL A 1 11 ? -2.371 30.889 31.986 1.00 23.82 ? 11 VAL A O 1 +ATOM 113 C CB . VAL A 1 11 ? -5.513 31.929 31.644 1.00 23.12 ? 11 VAL A CB 1 +ATOM 114 C CG1 . VAL A 1 11 ? -5.394 31.433 33.069 1.00 23.50 ? 11 VAL A CG1 1 +ATOM 115 C CG2 . VAL A 1 11 ? -6.413 33.141 31.388 1.00 26.02 ? 11 VAL A CG2 1 +ATOM 116 H H . VAL A 1 11 ? -4.120 29.946 30.382 0.00 15.00 ? 11 VAL A H 1 +ATOM 117 N N . THR A 1 12 ? -2.475 33.090 32.300 1.00 20.14 ? 12 THR A N 1 +ATOM 118 C CA . THR A 1 12 ? -1.433 32.979 33.341 1.00 25.70 ? 12 THR A CA 1 +ATOM 119 C C . THR A 1 12 ? -1.959 32.666 34.767 1.00 22.84 ? 12 THR A C 1 +ATOM 120 O O . THR A 1 12 ? -2.910 33.324 35.202 1.00 24.87 ? 12 THR A O 1 +ATOM 121 C CB . THR A 1 12 ? -0.548 34.282 33.408 1.00 23.95 ? 12 THR A CB 1 +ATOM 122 O OG1 . THR A 1 12 ? -1.382 35.423 33.650 1.00 30.19 ? 12 THR A OG1 1 +ATOM 123 C CG2 . THR A 1 12 ? 0.291 34.522 32.157 1.00 22.66 ? 12 THR A CG2 1 +ATOM 124 H H . THR A 1 12 ? -2.924 33.977 32.167 0.00 15.00 ? 12 THR A H 1 +ATOM 125 H HG1 . THR A 1 12 ? -1.855 35.292 34.491 0.00 15.00 ? 12 THR A HG1 1 +ATOM 126 N N . ILE A 1 13 ? -1.314 31.701 35.462 1.00 19.03 ? 13 ILE A N 1 +ATOM 127 C CA . ILE A 1 13 ? -1.631 31.477 36.881 1.00 21.23 ? 13 ILE A CA 1 +ATOM 128 C C . ILE A 1 13 ? -0.402 31.683 37.793 1.00 21.09 ? 13 ILE A C 1 +ATOM 129 O O . ILE A 1 13 ? 0.724 31.474 37.374 1.00 22.39 ? 13 ILE A O 1 +ATOM 130 C CB . ILE A 1 13 ? -2.225 30.057 37.154 1.00 18.72 ? 13 ILE A CB 1 +ATOM 131 C CG1 . ILE A 1 13 ? -1.176 28.954 36.985 1.00 18.47 ? 13 ILE A CG1 1 +ATOM 132 C CG2 . ILE A 1 13 ? -3.493 29.863 36.302 1.00 21.63 ? 13 ILE A CG2 1 +ATOM 133 C CD1 . ILE A 1 13 ? -1.742 27.561 37.234 1.00 20.08 ? 13 ILE A CD1 1 +ATOM 134 H H . ILE A 1 13 ? -0.545 31.201 35.052 0.00 15.00 ? 13 ILE A H 1 +ATOM 135 N N . LYS A 1 14 ? -0.640 32.037 39.048 1.00 21.89 ? 14 LYS A N 1 +ATOM 136 C CA . LYS A 1 14 ? 0.401 31.856 40.047 1.00 20.61 ? 14 LYS A CA 1 +ATOM 137 C C . LYS A 1 14 ? -0.112 30.869 41.039 1.00 20.49 ? 14 LYS A C 1 +ATOM 138 O O . LYS A 1 14 ? -1.267 30.940 41.438 1.00 20.73 ? 14 LYS A O 1 +ATOM 139 C CB . LYS A 1 14 ? 0.595 33.199 40.712 1.00 25.80 ? 14 LYS A CB 1 +ATOM 140 C CG . LYS A 1 14 ? 1.684 33.314 41.792 1.00 28.45 ? 14 LYS A CG 1 +ATOM 141 C CD . LYS A 1 14 ? 1.739 34.792 42.208 1.00 35.25 ? 14 LYS A CD 1 +ATOM 142 C CE . LYS A 1 14 ? 2.717 35.166 43.335 1.00 37.10 ? 14 LYS A CE 1 +ATOM 143 N NZ . LYS A 1 14 ? 2.561 36.597 43.692 1.00 37.19 ? 14 LYS A NZ 1 +ATOM 144 H H . LYS A 1 14 ? -1.567 32.309 39.315 0.00 15.00 ? 14 LYS A H 1 +ATOM 145 H HZ1 . LYS A 1 14 ? 2.681 37.186 42.844 0.00 15.00 ? 14 LYS A HZ1 1 +ATOM 146 H HZ2 . LYS A 1 14 ? 1.613 36.753 44.091 0.00 15.00 ? 14 LYS A HZ2 1 +ATOM 147 H HZ3 . LYS A 1 14 ? 3.280 36.856 44.398 0.00 15.00 ? 14 LYS A HZ3 1 +ATOM 148 N N . ILE A 1 15 ? 0.749 29.944 41.401 1.00 21.68 ? 15 ILE A N 1 +ATOM 149 C CA . ILE A 1 15 ? 0.460 28.912 42.393 1.00 23.52 ? 15 ILE A CA 1 +ATOM 150 C C . ILE A 1 15 ? 1.758 28.577 43.016 1.00 22.71 ? 15 ILE A C 1 +ATOM 151 O O . ILE A 1 15 ? 2.741 28.431 42.327 1.00 22.58 ? 15 ILE A O 1 +ATOM 152 C CB . ILE A 1 15 ? 0.125 27.538 41.821 1.00 26.41 ? 15 ILE A CB 1 +ATOM 153 C CG1 . ILE A 1 15 ? -0.231 27.667 40.378 1.00 30.82 ? 15 ILE A CG1 1 +ATOM 154 C CG2 . ILE A 1 15 ? -0.742 26.587 42.681 1.00 23.74 ? 15 ILE A CG2 1 +ATOM 155 C CD1 . ILE A 1 15 ? 1.080 27.448 39.624 1.00 29.51 ? 15 ILE A CD1 1 +ATOM 156 H H . ILE A 1 15 ? 1.666 29.932 40.986 0.00 15.00 ? 15 ILE A H 1 +ATOM 157 N N . GLY A 1 16 ? 1.783 28.428 44.307 1.00 24.60 ? 16 GLY A N 1 +ATOM 158 C CA . GLY A 1 16 ? 3.070 28.073 44.931 1.00 29.33 ? 16 GLY A CA 1 +ATOM 159 C C . GLY A 1 16 ? 4.228 29.067 44.721 1.00 26.55 ? 16 GLY A C 1 +ATOM 160 O O . GLY A 1 16 ? 5.394 28.701 44.728 1.00 29.53 ? 16 GLY A O 1 +ATOM 161 H H . GLY A 1 16 ? 0.976 28.610 44.875 0.00 15.00 ? 16 GLY A H 1 +ATOM 162 N N . GLY A 1 17 ? 3.881 30.331 44.483 1.00 27.97 ? 17 GLY A N 1 +ATOM 163 C CA . GLY A 1 17 ? 4.917 31.311 44.149 1.00 25.56 ? 17 GLY A CA 1 +ATOM 164 C C . GLY A 1 17 ? 5.485 31.230 42.742 1.00 25.08 ? 17 GLY A C 1 +ATOM 165 O O . GLY A 1 17 ? 6.350 32.003 42.364 1.00 25.98 ? 17 GLY A O 1 +ATOM 166 H H . GLY A 1 17 ? 2.927 30.630 44.563 0.00 15.00 ? 17 GLY A H 1 +ATOM 167 N N . GLN A 1 18 ? 4.993 30.265 41.964 1.00 23.51 ? 18 GLN A N 1 +ATOM 168 C CA . GLN A 1 18 ? 5.499 30.043 40.609 1.00 20.39 ? 18 GLN A CA 1 +ATOM 169 C C . GLN A 1 18 ? 4.495 30.520 39.611 1.00 20.68 ? 18 GLN A C 1 +ATOM 170 O O . GLN A 1 18 ? 3.291 30.520 39.870 1.00 18.92 ? 18 GLN A O 1 +ATOM 171 C CB . GLN A 1 18 ? 5.722 28.552 40.382 1.00 17.66 ? 18 GLN A CB 1 +ATOM 172 C CG . GLN A 1 18 ? 6.704 28.059 41.407 1.00 21.20 ? 18 GLN A CG 1 +ATOM 173 C CD . GLN A 1 18 ? 6.824 26.588 41.244 1.00 24.63 ? 18 GLN A CD 1 +ATOM 174 O OE1 . GLN A 1 18 ? 7.130 26.109 40.166 1.00 28.40 ? 18 GLN A OE1 1 +ATOM 175 N NE2 . GLN A 1 18 ? 6.545 25.881 42.334 1.00 21.49 ? 18 GLN A NE2 1 +ATOM 176 H H . GLN A 1 18 ? 4.210 29.706 42.245 0.00 15.00 ? 18 GLN A H 1 +ATOM 177 H HE21 . GLN A 1 18 ? 6.525 24.885 42.304 0.00 15.00 ? 18 GLN A HE21 1 +ATOM 178 H HE22 . GLN A 1 18 ? 6.417 26.321 43.223 0.00 15.00 ? 18 GLN A HE22 1 +ATOM 179 N N . LEU A 1 19 ? 5.028 30.918 38.469 1.00 17.38 ? 19 LEU A N 1 +ATOM 180 C CA . LEU A 1 19 ? 4.142 31.414 37.429 1.00 16.41 ? 19 LEU A CA 1 +ATOM 181 C C . LEU A 1 19 ? 4.016 30.341 36.341 1.00 17.75 ? 19 LEU A C 1 +ATOM 182 O O . LEU A 1 19 ? 5.006 29.796 35.892 1.00 22.98 ? 19 LEU A O 1 +ATOM 183 C CB . LEU A 1 19 ? 4.818 32.649 36.849 1.00 17.01 ? 19 LEU A CB 1 +ATOM 184 C CG . LEU A 1 19 ? 4.704 34.013 37.520 1.00 17.87 ? 19 LEU A CG 1 +ATOM 185 C CD1 . LEU A 1 19 ? 3.904 34.035 38.794 1.00 14.70 ? 19 LEU A CD1 1 +ATOM 186 C CD2 . LEU A 1 19 ? 6.051 34.739 37.586 1.00 18.47 ? 19 LEU A CD2 1 +ATOM 187 H H . LEU A 1 19 ? 6.014 30.837 38.300 0.00 15.00 ? 19 LEU A H 1 +ATOM 188 N N . LYS A 1 20 ? 2.809 30.018 35.936 1.00 18.78 ? 20 LYS A N 1 +ATOM 189 C CA . LYS A 1 20 ? 2.566 28.965 34.937 1.00 19.52 ? 20 LYS A CA 1 +ATOM 190 C C . LYS A 1 20 ? 1.533 29.435 33.944 1.00 16.28 ? 20 LYS A C 1 +ATOM 191 O O . LYS A 1 20 ? 0.833 30.401 34.168 1.00 19.41 ? 20 LYS A O 1 +ATOM 192 C CB . LYS A 1 20 ? 1.933 27.769 35.632 1.00 21.51 ? 20 LYS A CB 1 +ATOM 193 C CG . LYS A 1 20 ? 2.872 26.644 36.062 1.00 23.84 ? 20 LYS A CG 1 +ATOM 194 C CD . LYS A 1 20 ? 3.505 26.759 37.422 1.00 26.14 ? 20 LYS A CD 1 +ATOM 195 C CE . LYS A 1 20 ? 3.985 25.372 37.823 1.00 29.39 ? 20 LYS A CE 1 +ATOM 196 N NZ . LYS A 1 20 ? 5.049 24.920 36.909 1.00 31.04 ? 20 LYS A NZ 1 +ATOM 197 H H . LYS A 1 20 ? 2.012 30.510 36.301 0.00 15.00 ? 20 LYS A H 1 +ATOM 198 H HZ1 . LYS A 1 20 ? 5.844 25.590 36.941 0.00 15.00 ? 20 LYS A HZ1 1 +ATOM 199 H HZ2 . LYS A 1 20 ? 5.374 23.979 37.206 0.00 15.00 ? 20 LYS A HZ2 1 +ATOM 200 H HZ3 . LYS A 1 20 ? 4.679 24.864 35.939 0.00 15.00 ? 20 LYS A HZ3 1 +ATOM 201 N N . GLU A 1 21 ? 1.387 28.765 32.841 1.00 19.58 ? 21 GLU A N 1 +ATOM 202 C CA . GLU A 1 21 ? 0.152 29.063 32.090 1.00 19.27 ? 21 GLU A CA 1 +ATOM 203 C C . GLU A 1 21 ? -0.657 27.774 32.038 1.00 18.80 ? 21 GLU A C 1 +ATOM 204 O O . GLU A 1 21 ? -0.119 26.668 32.171 1.00 21.08 ? 21 GLU A O 1 +ATOM 205 C CB . GLU A 1 21 ? 0.351 29.552 30.641 1.00 21.53 ? 21 GLU A CB 1 +ATOM 206 C CG . GLU A 1 21 ? 1.333 30.668 30.361 1.00 28.79 ? 21 GLU A CG 1 +ATOM 207 C CD . GLU A 1 21 ? 1.377 30.937 28.856 1.00 37.72 ? 21 GLU A CD 1 +ATOM 208 O OE1 . GLU A 1 21 ? 0.435 31.577 28.387 1.00 42.39 ? 21 GLU A OE1 1 +ATOM 209 O OE2 . GLU A 1 21 ? 2.340 30.539 28.159 1.00 42.06 ? 21 GLU A OE2 1 +ATOM 210 H H . GLU A 1 21 ? 1.995 28.010 32.588 0.00 15.00 ? 21 GLU A H 1 +ATOM 211 N N . ALA A 1 22 ? -1.954 27.968 31.879 1.00 16.39 ? 22 ALA A N 1 +ATOM 212 C CA . ALA A 1 22 ? -2.846 26.827 31.955 1.00 15.95 ? 22 ALA A CA 1 +ATOM 213 C C . ALA A 1 22 ? -4.017 27.088 31.045 1.00 15.11 ? 22 ALA A C 1 +ATOM 214 O O . ALA A 1 22 ? -4.334 28.204 30.671 1.00 15.48 ? 22 ALA A O 1 +ATOM 215 C CB . ALA A 1 22 ? -3.260 26.581 33.397 1.00 14.56 ? 22 ALA A CB 1 +ATOM 216 H H . ALA A 1 22 ? -2.338 28.890 31.763 0.00 15.00 ? 22 ALA A H 1 +ATOM 217 N N . LEU A 1 23 ? -4.609 25.998 30.628 1.00 17.15 ? 23 LEU A N 1 +ATOM 218 C CA . LEU A 1 23 ? -5.684 25.981 29.648 1.00 17.43 ? 23 LEU A CA 1 +ATOM 219 C C . LEU A 1 23 ? -7.000 26.135 30.381 1.00 18.12 ? 23 LEU A C 1 +ATOM 220 O O . LEU A 1 23 ? -7.228 25.474 31.393 1.00 21.35 ? 23 LEU A O 1 +ATOM 221 C CB . LEU A 1 23 ? -5.578 24.586 29.030 1.00 18.49 ? 23 LEU A CB 1 +ATOM 222 C CG . LEU A 1 23 ? -6.480 24.293 27.857 1.00 17.90 ? 23 LEU A CG 1 +ATOM 223 C CD1 . LEU A 1 23 ? -6.023 25.051 26.644 1.00 14.79 ? 23 LEU A CD1 1 +ATOM 224 C CD2 . LEU A 1 23 ? -6.396 22.806 27.611 1.00 17.20 ? 23 LEU A CD2 1 +ATOM 225 H H . LEU A 1 23 ? -4.328 25.118 31.014 0.00 15.00 ? 23 LEU A H 1 +ATOM 226 N N . LEU A 1 24 ? -7.869 27.023 29.889 1.00 14.68 ? 24 LEU A N 1 +ATOM 227 C CA . LEU A 1 24 ? -9.199 27.040 30.518 1.00 16.69 ? 24 LEU A CA 1 +ATOM 228 C C . LEU A 1 24 ? -10.039 25.941 29.905 1.00 15.50 ? 24 LEU A C 1 +ATOM 229 O O . LEU A 1 24 ? -10.233 25.938 28.697 1.00 19.46 ? 24 LEU A O 1 +ATOM 230 C CB . LEU A 1 24 ? -9.911 28.376 30.277 1.00 14.58 ? 24 LEU A CB 1 +ATOM 231 C CG . LEU A 1 24 ? -9.127 29.564 30.868 1.00 14.79 ? 24 LEU A CG 1 +ATOM 232 C CD1 . LEU A 1 24 ? -9.750 30.864 30.389 1.00 14.41 ? 24 LEU A CD1 1 +ATOM 233 C CD2 . LEU A 1 24 ? -8.995 29.459 32.386 1.00 15.81 ? 24 LEU A CD2 1 +ATOM 234 H H . LEU A 1 24 ? -7.664 27.553 29.064 0.00 15.00 ? 24 LEU A H 1 +ATOM 235 N N . ASP A 1 25 ? -10.490 25.003 30.745 1.00 14.63 ? 25 ASP A N 1 +ATOM 236 C CA . ASP A 1 25 ? -11.066 23.758 30.228 1.00 15.39 ? 25 ASP A CA 1 +ATOM 237 C C . ASP A 1 25 ? -12.432 23.397 30.842 1.00 15.78 ? 25 ASP A C 1 +ATOM 238 O O . ASP A 1 25 ? -12.551 22.827 31.925 1.00 16.65 ? 25 ASP A O 1 +ATOM 239 C CB . ASP A 1 25 ? -10.021 22.681 30.517 1.00 14.98 ? 25 ASP A CB 1 +ATOM 240 C CG . ASP A 1 25 ? -10.255 21.403 29.779 1.00 18.30 ? 25 ASP A CG 1 +ATOM 241 O OD1 . ASP A 1 25 ? -11.371 21.075 29.401 1.00 19.27 ? 25 ASP A OD1 1 +ATOM 242 O OD2 . ASP A 1 25 ? -9.296 20.715 29.569 1.00 21.96 ? 25 ASP A OD2 1 +ATOM 243 H H . ASP A 1 25 ? -10.346 25.071 31.739 0.00 15.00 ? 25 ASP A H 1 +ATOM 244 N N . THR A 1 26 ? -13.492 23.679 30.062 1.00 15.42 ? 26 THR A N 1 +ATOM 245 C CA . THR A 1 26 ? -14.845 23.308 30.482 1.00 14.75 ? 26 THR A CA 1 +ATOM 246 C C . THR A 1 26 ? -15.152 21.827 30.546 1.00 15.64 ? 26 THR A C 1 +ATOM 247 O O . THR A 1 26 ? -16.033 21.367 31.239 1.00 16.32 ? 26 THR A O 1 +ATOM 248 C CB . THR A 1 26 ? -15.824 24.046 29.562 1.00 13.10 ? 26 THR A CB 1 +ATOM 249 O OG1 . THR A 1 26 ? -15.610 23.759 28.181 1.00 15.34 ? 26 THR A OG1 1 +ATOM 250 C CG2 . THR A 1 26 ? -15.616 25.530 29.761 1.00 14.33 ? 26 THR A CG2 1 +ATOM 251 H H . THR A 1 26 ? -13.399 24.194 29.206 0.00 15.00 ? 26 THR A H 1 +ATOM 252 H HG1 . THR A 1 26 ? -16.424 23.341 27.852 0.00 15.00 ? 26 THR A HG1 1 +ATOM 253 N N . GLY A 1 27 ? -14.407 21.023 29.808 1.00 16.34 ? 27 GLY A N 1 +ATOM 254 C CA . GLY A 1 27 ? -14.692 19.585 29.908 1.00 16.53 ? 27 GLY A CA 1 +ATOM 255 C C . GLY A 1 27 ? -14.037 18.908 31.090 1.00 15.78 ? 27 GLY A C 1 +ATOM 256 O O . GLY A 1 27 ? -14.301 17.756 31.339 1.00 17.01 ? 27 GLY A O 1 +ATOM 257 H H . GLY A 1 27 ? -13.649 21.390 29.281 0.00 15.00 ? 27 GLY A H 1 +ATOM 258 N N . ALA A 1 28 ? -13.154 19.601 31.785 1.00 12.64 ? 28 ALA A N 1 +ATOM 259 C CA . ALA A 1 28 ? -12.400 18.951 32.817 1.00 15.89 ? 28 ALA A CA 1 +ATOM 260 C C . ALA A 1 28 ? -13.073 19.311 34.105 1.00 16.39 ? 28 ALA A C 1 +ATOM 261 O O . ALA A 1 28 ? -13.351 20.449 34.450 1.00 17.34 ? 28 ALA A O 1 +ATOM 262 C CB . ALA A 1 28 ? -10.921 19.382 32.802 1.00 11.80 ? 28 ALA A CB 1 +ATOM 263 H H . ALA A 1 28 ? -13.095 20.599 31.738 0.00 15.00 ? 28 ALA A H 1 +ATOM 264 N N . ASP A 1 29 ? -13.393 18.264 34.841 1.00 18.83 ? 29 ASP A N 1 +ATOM 265 C CA . ASP A 1 29 ? -14.116 18.489 36.100 1.00 19.42 ? 29 ASP A CA 1 +ATOM 266 C C . ASP A 1 29 ? -13.227 19.138 37.134 1.00 19.55 ? 29 ASP A C 1 +ATOM 267 O O . ASP A 1 29 ? -13.729 19.958 37.896 1.00 19.10 ? 29 ASP A O 1 +ATOM 268 C CB . ASP A 1 29 ? -14.686 17.172 36.717 1.00 22.48 ? 29 ASP A CB 1 +ATOM 269 C CG . ASP A 1 29 ? -15.662 16.336 35.848 1.00 24.85 ? 29 ASP A CG 1 +ATOM 270 O OD1 . ASP A 1 29 ? -16.482 16.859 35.073 1.00 23.88 ? 29 ASP A OD1 1 +ATOM 271 O OD2 . ASP A 1 29 ? -15.562 15.112 35.959 1.00 29.52 ? 29 ASP A OD2 1 +ATOM 272 H H . ASP A 1 29 ? -13.223 17.340 34.487 0.00 15.00 ? 29 ASP A H 1 +ATOM 273 N N . ASP A 1 30 ? -11.920 18.740 37.125 1.00 17.60 ? 30 ASP A N 1 +ATOM 274 C CA . ASP A 1 30 ? -10.978 19.259 38.109 1.00 19.28 ? 30 ASP A CA 1 +ATOM 275 C C . ASP A 1 30 ? -9.738 19.815 37.468 1.00 18.70 ? 30 ASP A C 1 +ATOM 276 O O . ASP A 1 30 ? -9.569 19.744 36.273 1.00 20.53 ? 30 ASP A O 1 +ATOM 277 C CB . ASP A 1 30 ? -10.455 18.192 39.008 1.00 21.37 ? 30 ASP A CB 1 +ATOM 278 C CG . ASP A 1 30 ? -11.477 17.743 40.004 1.00 29.83 ? 30 ASP A CG 1 +ATOM 279 O OD1 . ASP A 1 30 ? -12.049 18.561 40.749 1.00 31.43 ? 30 ASP A OD1 1 +ATOM 280 O OD2 . ASP A 1 30 ? -11.697 16.535 40.022 1.00 37.32 ? 30 ASP A OD2 1 +ATOM 281 H H . ASP A 1 30 ? -11.565 18.146 36.404 0.00 15.00 ? 30 ASP A H 1 +ATOM 282 N N . THR A 1 31 ? -8.894 20.392 38.291 1.00 16.76 ? 31 THR A N 1 +ATOM 283 C CA . THR A 1 31 ? -7.699 21.042 37.838 1.00 14.68 ? 31 THR A CA 1 +ATOM 284 C C . THR A 1 31 ? -6.537 20.067 37.987 1.00 15.91 ? 31 THR A C 1 +ATOM 285 O O . THR A 1 31 ? -6.358 19.482 39.043 1.00 16.82 ? 31 THR A O 1 +ATOM 286 C CB . THR A 1 31 ? -7.539 22.307 38.739 1.00 13.63 ? 31 THR A CB 1 +ATOM 287 O OG1 . THR A 1 31 ? -8.611 23.234 38.458 1.00 14.06 ? 31 THR A OG1 1 +ATOM 288 C CG2 . THR A 1 31 ? -6.215 23.038 38.561 1.00 10.59 ? 31 THR A CG2 1 +ATOM 289 H H . THR A 1 31 ? -9.064 20.370 39.276 0.00 15.00 ? 31 THR A H 1 +ATOM 290 H HG1 . THR A 1 31 ? -9.419 22.892 38.870 0.00 15.00 ? 31 THR A HG1 1 +ATOM 291 N N . VAL A 1 32 ? -5.751 19.936 36.928 1.00 16.47 ? 32 VAL A N 1 +ATOM 292 C CA . VAL A 1 32 ? -4.540 19.100 36.930 1.00 18.79 ? 32 VAL A CA 1 +ATOM 293 C C . VAL A 1 32 ? -3.275 19.816 36.419 1.00 19.99 ? 32 VAL A C 1 +ATOM 294 O O . VAL A 1 32 ? -3.238 20.403 35.346 1.00 21.99 ? 32 VAL A O 1 +ATOM 295 C CB . VAL A 1 32 ? -4.750 17.729 36.217 1.00 20.41 ? 32 VAL A CB 1 +ATOM 296 C CG1 . VAL A 1 32 ? -5.295 17.759 34.808 1.00 20.49 ? 32 VAL A CG1 1 +ATOM 297 C CG2 . VAL A 1 32 ? -3.477 16.886 36.265 1.00 20.20 ? 32 VAL A CG2 1 +ATOM 298 H H . VAL A 1 32 ? -5.927 20.493 36.112 0.00 15.00 ? 32 VAL A H 1 +ATOM 299 N N . LEU A 1 33 ? -2.247 19.798 37.250 1.00 18.00 ? 33 LEU A N 1 +ATOM 300 C CA . LEU A 1 33 ? -1.046 20.530 36.931 1.00 23.69 ? 33 LEU A CA 1 +ATOM 301 C C . LEU A 1 33 ? 0.027 19.561 36.746 1.00 23.25 ? 33 LEU A C 1 +ATOM 302 O O . LEU A 1 33 ? 0.129 18.545 37.411 1.00 23.45 ? 33 LEU A O 1 +ATOM 303 C CB . LEU A 1 33 ? -0.688 21.397 38.138 1.00 22.70 ? 33 LEU A CB 1 +ATOM 304 C CG . LEU A 1 33 ? -1.196 22.854 38.097 1.00 21.84 ? 33 LEU A CG 1 +ATOM 305 C CD1 . LEU A 1 33 ? -2.258 23.189 37.060 1.00 20.74 ? 33 LEU A CD1 1 +ATOM 306 C CD2 . LEU A 1 33 ? -1.638 23.304 39.462 1.00 24.08 ? 33 LEU A CD2 1 +ATOM 307 H H . LEU A 1 33 ? -2.275 19.243 38.086 0.00 15.00 ? 33 LEU A H 1 +ATOM 308 N N . GLU A 1 34 ? 0.869 19.923 35.824 1.00 28.09 ? 34 GLU A N 1 +ATOM 309 C CA . GLU A 1 34 ? 2.093 19.152 35.760 1.00 33.86 ? 34 GLU A CA 1 +ATOM 310 C C . GLU A 1 34 ? 2.814 19.160 37.097 1.00 34.90 ? 34 GLU A C 1 +ATOM 311 O O . GLU A 1 34 ? 2.575 19.972 37.983 1.00 33.55 ? 34 GLU A O 1 +ATOM 312 C CB . GLU A 1 34 ? 3.062 19.725 34.745 1.00 36.41 ? 34 GLU A CB 1 +ATOM 313 C CG . GLU A 1 34 ? 2.462 20.359 33.498 1.00 45.10 ? 34 GLU A CG 1 +ATOM 314 C CD . GLU A 1 34 ? 3.585 20.921 32.629 1.00 52.31 ? 34 GLU A CD 1 +ATOM 315 O OE1 . GLU A 1 34 ? 4.127 22.011 32.930 1.00 53.85 ? 34 GLU A OE1 1 +ATOM 316 O OE2 . GLU A 1 34 ? 3.917 20.247 31.643 1.00 54.41 ? 34 GLU A OE2 1 +ATOM 317 H H . GLU A 1 34 ? 0.735 20.772 35.311 0.00 15.00 ? 34 GLU A H 1 +ATOM 318 N N . GLU A 1 35 ? 3.726 18.220 37.189 1.00 36.52 ? 35 GLU A N 1 +ATOM 319 C CA . GLU A 1 35 ? 4.640 18.085 38.319 1.00 38.43 ? 35 GLU A CA 1 +ATOM 320 C C . GLU A 1 35 ? 5.202 19.369 38.938 1.00 38.66 ? 35 GLU A C 1 +ATOM 321 O O . GLU A 1 35 ? 5.900 20.157 38.315 1.00 39.17 ? 35 GLU A O 1 +ATOM 322 C CB . GLU A 1 35 ? 5.771 17.186 37.819 1.00 42.95 ? 35 GLU A CB 1 +ATOM 323 C CG . GLU A 1 35 ? 6.419 16.302 38.868 1.00 51.48 ? 35 GLU A CG 1 +ATOM 324 C CD . GLU A 1 35 ? 5.360 15.422 39.458 1.00 54.85 ? 35 GLU A CD 1 +ATOM 325 O OE1 . GLU A 1 35 ? 4.799 14.603 38.715 1.00 54.38 ? 35 GLU A OE1 1 +ATOM 326 O OE2 . GLU A 1 35 ? 5.112 15.573 40.658 1.00 55.86 ? 35 GLU A OE2 1 +ATOM 327 H H . GLU A 1 35 ? 3.807 17.554 36.441 0.00 15.00 ? 35 GLU A H 1 +ATOM 328 N N . MET A 1 36 ? 4.882 19.545 40.207 1.00 38.95 ? 36 MET A N 1 +ATOM 329 C CA . MET A 1 36 ? 5.244 20.763 40.924 1.00 39.84 ? 36 MET A CA 1 +ATOM 330 C C . MET A 1 36 ? 5.497 20.413 42.363 1.00 40.43 ? 36 MET A C 1 +ATOM 331 O O . MET A 1 36 ? 4.996 19.422 42.895 1.00 41.31 ? 36 MET A O 1 +ATOM 332 C CB . MET A 1 36 ? 4.060 21.711 41.096 1.00 39.86 ? 36 MET A CB 1 +ATOM 333 C CG . MET A 1 36 ? 3.590 22.500 39.905 1.00 40.87 ? 36 MET A CG 1 +ATOM 334 S SD . MET A 1 36 ? 2.417 23.638 40.589 1.00 39.79 ? 36 MET A SD 1 +ATOM 335 C CE . MET A 1 36 ? 3.570 24.644 41.528 1.00 36.62 ? 36 MET A CE 1 +ATOM 336 H H . MET A 1 36 ? 4.358 18.860 40.713 0.00 15.00 ? 36 MET A H 1 +ATOM 337 N N . SER A 1 37 ? 6.238 21.333 42.974 1.00 39.50 ? 37 SER A N 1 +ATOM 338 C CA . SER A 1 37 ? 6.375 21.434 44.423 1.00 39.75 ? 37 SER A CA 1 +ATOM 339 C C . SER A 1 37 ? 5.171 22.127 45.023 1.00 40.06 ? 37 SER A C 1 +ATOM 340 O O . SER A 1 37 ? 5.007 23.337 44.886 1.00 38.22 ? 37 SER A O 1 +ATOM 341 C CB . SER A 1 37 ? 7.627 22.288 44.738 1.00 37.02 ? 37 SER A CB 1 +ATOM 342 O OG . SER A 1 37 ? 8.125 22.958 43.551 1.00 38.08 ? 37 SER A OG 1 +ATOM 343 H H . SER A 1 37 ? 6.685 22.072 42.471 0.00 15.00 ? 37 SER A H 1 +ATOM 344 H HG . SER A 1 37 ? 8.938 23.430 43.763 0.00 15.00 ? 37 SER A HG 1 +ATOM 345 N N . LEU A 1 38 ? 4.332 21.344 45.681 1.00 40.07 ? 38 LEU A N 1 +ATOM 346 C CA . LEU A 1 38 ? 3.368 22.051 46.497 1.00 43.10 ? 38 LEU A CA 1 +ATOM 347 C C . LEU A 1 38 ? 3.526 21.762 47.974 1.00 47.11 ? 38 LEU A C 1 +ATOM 348 O O . LEU A 1 38 ? 3.524 20.629 48.437 1.00 49.53 ? 38 LEU A O 1 +ATOM 349 C CB . LEU A 1 38 ? 1.949 21.738 46.065 1.00 38.09 ? 38 LEU A CB 1 +ATOM 350 C CG . LEU A 1 38 ? 1.551 22.488 44.806 1.00 36.91 ? 38 LEU A CG 1 +ATOM 351 C CD1 . LEU A 1 38 ? 0.097 22.154 44.485 1.00 35.40 ? 38 LEU A CD1 1 +ATOM 352 C CD2 . LEU A 1 38 ? 1.747 23.988 44.945 1.00 33.11 ? 38 LEU A CD2 1 +ATOM 353 H H . LEU A 1 38 ? 4.493 20.364 45.789 0.00 15.00 ? 38 LEU A H 1 +ATOM 354 N N . PRO A 1 39 ? 3.622 22.862 48.706 1.00 49.12 ? 39 PRO A N 1 +ATOM 355 C CA . PRO A 1 39 ? 3.480 22.806 50.169 1.00 51.60 ? 39 PRO A CA 1 +ATOM 356 C C . PRO A 1 39 ? 2.218 22.136 50.716 1.00 52.70 ? 39 PRO A C 1 +ATOM 357 O O . PRO A 1 39 ? 1.148 22.723 50.846 1.00 53.18 ? 39 PRO A O 1 +ATOM 358 C CB . PRO A 1 39 ? 3.533 24.301 50.542 1.00 51.98 ? 39 PRO A CB 1 +ATOM 359 C CG . PRO A 1 39 ? 3.174 25.071 49.271 1.00 49.15 ? 39 PRO A CG 1 +ATOM 360 C CD . PRO A 1 39 ? 3.842 24.218 48.206 1.00 46.45 ? 39 PRO A CD 1 +ATOM 361 N N . GLY A 1 40 ? 2.405 20.900 51.113 1.00 54.06 ? 40 GLY A N 1 +ATOM 362 C CA . GLY A 1 40 ? 1.326 20.309 51.875 1.00 56.82 ? 40 GLY A CA 1 +ATOM 363 C C . GLY A 1 40 ? 1.477 18.815 51.919 1.00 57.69 ? 40 GLY A C 1 +ATOM 364 O O . GLY A 1 40 ? 2.560 18.279 51.679 1.00 58.44 ? 40 GLY A O 1 +ATOM 365 H H . GLY A 1 40 ? 3.212 20.361 50.864 0.00 15.00 ? 40 GLY A H 1 +ATOM 366 N N . ARG A 1 41 ? 0.344 18.192 52.255 1.00 58.02 ? 41 ARG A N 1 +ATOM 367 C CA . ARG A 1 41 ? 0.221 16.735 52.172 1.00 62.32 ? 41 ARG A CA 1 +ATOM 368 C C . ARG A 1 41 ? -0.649 16.421 50.969 1.00 62.54 ? 41 ARG A C 1 +ATOM 369 O O . ARG A 1 41 ? -1.217 17.346 50.411 1.00 65.28 ? 41 ARG A O 1 +ATOM 370 C CB . ARG A 1 41 ? -0.398 16.162 53.474 1.00 63.83 ? 41 ARG A CB 1 +ATOM 371 C CG . ARG A 1 41 ? -1.932 16.103 53.609 1.00 65.89 ? 41 ARG A CG 1 +ATOM 372 C CD . ARG A 1 41 ? -2.676 17.446 53.619 1.00 71.29 ? 41 ARG A CD 1 +ATOM 373 N NE . ARG A 1 41 ? -4.071 17.218 53.224 1.00 73.69 ? 41 ARG A NE 1 +ATOM 374 C CZ . ARG A 1 41 ? -4.704 18.021 52.348 1.00 79.09 ? 41 ARG A CZ 1 +ATOM 375 N NH1 . ARG A 1 41 ? -4.158 19.153 51.881 1.00 79.93 ? 41 ARG A NH1 1 +ATOM 376 N NH2 . ARG A 1 41 ? -5.918 17.661 51.941 1.00 76.28 ? 41 ARG A NH2 1 +ATOM 377 H H . ARG A 1 41 ? -0.501 18.727 52.310 0.00 15.00 ? 41 ARG A H 1 +ATOM 378 H HE . ARG A 1 41 ? -4.547 16.417 53.589 0.00 15.00 ? 41 ARG A HE 1 +ATOM 379 H HH11 . ARG A 1 41 ? -3.246 19.435 52.178 0.00 15.00 ? 41 ARG A HH11 1 +ATOM 380 H HH12 . ARG A 1 41 ? -4.666 19.719 51.231 0.00 15.00 ? 41 ARG A HH12 1 +ATOM 381 H HH21 . ARG A 1 41 ? -6.333 16.818 52.284 0.00 15.00 ? 41 ARG A HH21 1 +ATOM 382 H HH22 . ARG A 1 41 ? -6.415 18.233 51.290 0.00 15.00 ? 41 ARG A HH22 1 +ATOM 383 N N . TRP A 1 42 ? -0.771 15.157 50.578 1.00 64.07 ? 42 TRP A N 1 +ATOM 384 C CA . TRP A 1 42 ? -1.610 14.902 49.412 1.00 63.13 ? 42 TRP A CA 1 +ATOM 385 C C . TRP A 1 42 ? -2.181 13.530 49.494 1.00 62.90 ? 42 TRP A C 1 +ATOM 386 O O . TRP A 1 42 ? -1.685 12.698 50.238 1.00 63.24 ? 42 TRP A O 1 +ATOM 387 C CB . TRP A 1 42 ? -0.811 15.079 48.110 1.00 64.61 ? 42 TRP A CB 1 +ATOM 388 C CG . TRP A 1 42 ? 0.541 14.400 48.169 1.00 64.42 ? 42 TRP A CG 1 +ATOM 389 C CD1 . TRP A 1 42 ? 1.743 14.980 48.627 1.00 63.07 ? 42 TRP A CD1 1 +ATOM 390 C CD2 . TRP A 1 42 ? 0.869 13.085 47.779 1.00 65.61 ? 42 TRP A CD2 1 +ATOM 391 N NE1 . TRP A 1 42 ? 2.803 14.130 48.559 1.00 64.90 ? 42 TRP A NE1 1 +ATOM 392 C CE2 . TRP A 1 42 ? 2.340 12.936 48.043 1.00 65.55 ? 42 TRP A CE2 1 +ATOM 393 C CE3 . TRP A 1 42 ? 0.148 12.002 47.232 1.00 65.37 ? 42 TRP A CE3 1 +ATOM 394 C CZ2 . TRP A 1 42 ? 2.967 11.703 47.734 1.00 65.90 ? 42 TRP A CZ2 1 +ATOM 395 C CZ3 . TRP A 1 42 ? 0.828 10.798 46.940 1.00 65.45 ? 42 TRP A CZ3 1 +ATOM 396 C CH2 . TRP A 1 42 ? 2.212 10.644 47.186 1.00 62.07 ? 42 TRP A CH2 1 +ATOM 397 H H . TRP A 1 42 ? -0.345 14.377 51.035 0.00 15.00 ? 42 TRP A H 1 +ATOM 398 H HE1 . TRP A 1 42 ? 3.724 14.335 48.827 0.00 15.00 ? 42 TRP A HE1 1 +ATOM 399 N N . LYS A 1 43 ? -3.225 13.315 48.716 1.00 64.04 ? 43 LYS A N 1 +ATOM 400 C CA . LYS A 1 43 ? -3.765 11.962 48.572 1.00 63.07 ? 43 LYS A CA 1 +ATOM 401 C C . LYS A 1 43 ? -3.549 11.473 47.134 1.00 61.33 ? 43 LYS A C 1 +ATOM 402 O O . LYS A 1 43 ? -3.679 12.249 46.201 1.00 60.30 ? 43 LYS A O 1 +ATOM 403 C CB . LYS A 1 43 ? -5.264 11.999 48.878 1.00 63.79 ? 43 LYS A CB 1 +ATOM 404 C CG . LYS A 1 43 ? -5.622 12.744 50.164 1.00 68.85 ? 43 LYS A CG 1 +ATOM 405 C CD . LYS A 1 43 ? -5.110 12.094 51.455 1.00 71.09 ? 43 LYS A CD 1 +ATOM 406 C CE . LYS A 1 43 ? -5.791 10.757 51.802 1.00 74.50 ? 43 LYS A CE 1 +ATOM 407 N NZ . LYS A 1 43 ? -5.366 10.319 53.141 1.00 74.50 ? 43 LYS A NZ 1 +ATOM 408 H H . LYS A 1 43 ? -3.588 14.070 48.164 0.00 15.00 ? 43 LYS A H 1 +ATOM 409 H HZ1 . LYS A 1 43 ? -5.607 11.052 53.838 0.00 15.00 ? 43 LYS A HZ1 1 +ATOM 410 H HZ2 . LYS A 1 43 ? -5.847 9.432 53.389 0.00 15.00 ? 43 LYS A HZ2 1 +ATOM 411 H HZ3 . LYS A 1 43 ? -4.337 10.168 53.142 0.00 15.00 ? 43 LYS A HZ3 1 +ATOM 412 N N . PRO A 1 44 ? -3.179 10.194 46.943 1.00 61.91 ? 44 PRO A N 1 +ATOM 413 C CA . PRO A 1 44 ? -3.154 9.629 45.568 1.00 59.28 ? 44 PRO A CA 1 +ATOM 414 C C . PRO A 1 44 ? -4.540 9.488 44.965 1.00 55.39 ? 44 PRO A C 1 +ATOM 415 O O . PRO A 1 44 ? -5.488 9.108 45.639 1.00 55.70 ? 44 PRO A O 1 +ATOM 416 C CB . PRO A 1 44 ? -2.519 8.242 45.786 1.00 60.18 ? 44 PRO A CB 1 +ATOM 417 C CG . PRO A 1 44 ? -1.796 8.302 47.140 1.00 59.54 ? 44 PRO A CG 1 +ATOM 418 C CD . PRO A 1 44 ? -2.701 9.238 47.952 1.00 62.47 ? 44 PRO A CD 1 +ATOM 419 N N . LYS A 1 45 ? -4.636 9.799 43.690 1.00 51.59 ? 45 LYS A N 1 +ATOM 420 C CA . LYS A 1 45 ? -5.922 9.717 43.025 1.00 47.51 ? 45 LYS A CA 1 +ATOM 421 C C . LYS A 1 45 ? -5.553 9.277 41.644 1.00 44.81 ? 45 LYS A C 1 +ATOM 422 O O . LYS A 1 45 ? -4.431 9.510 41.222 1.00 45.96 ? 45 LYS A O 1 +ATOM 423 C CB . LYS A 1 45 ? -6.517 11.135 43.064 1.00 48.56 ? 45 LYS A CB 1 +ATOM 424 C CG . LYS A 1 45 ? -7.863 11.482 42.398 1.00 50.12 ? 45 LYS A CG 1 +ATOM 425 C CD . LYS A 1 45 ? -9.139 11.004 43.122 1.00 52.26 ? 45 LYS A CD 1 +ATOM 426 C CE . LYS A 1 45 ? -10.478 11.614 42.596 1.00 52.38 ? 45 LYS A CE 1 +ATOM 427 N NZ . LYS A 1 45 ? -10.936 11.114 41.279 1.00 54.78 ? 45 LYS A NZ 1 +ATOM 428 H H . LYS A 1 45 ? -3.851 10.146 43.166 0.00 15.00 ? 45 LYS A H 1 +ATOM 429 H HZ1 . LYS A 1 45 ? -10.215 11.322 40.558 0.00 15.00 ? 45 LYS A HZ1 1 +ATOM 430 H HZ2 . LYS A 1 45 ? -11.087 10.087 41.329 0.00 15.00 ? 45 LYS A HZ2 1 +ATOM 431 H HZ3 . LYS A 1 45 ? -11.828 11.581 41.020 0.00 15.00 ? 45 LYS A HZ3 1 +ATOM 432 N N . MET A 1 46 ? -6.468 8.636 40.938 1.00 41.27 ? 46 MET A N 1 +ATOM 433 C CA . MET A 1 46 ? -6.245 8.475 39.498 1.00 37.67 ? 46 MET A CA 1 +ATOM 434 C C . MET A 1 46 ? -7.324 9.162 38.733 1.00 32.50 ? 46 MET A C 1 +ATOM 435 O O . MET A 1 46 ? -8.465 9.196 39.162 1.00 32.49 ? 46 MET A O 1 +ATOM 436 C CB . MET A 1 46 ? -6.331 7.037 39.070 1.00 37.49 ? 46 MET A CB 1 +ATOM 437 C CG . MET A 1 46 ? -5.242 6.261 39.725 1.00 44.30 ? 46 MET A CG 1 +ATOM 438 S SD . MET A 1 46 ? -5.573 4.590 39.290 1.00 52.30 ? 46 MET A SD 1 +ATOM 439 C CE . MET A 1 46 ? -4.345 3.826 40.363 1.00 47.93 ? 46 MET A CE 1 +ATOM 440 H H . MET A 1 46 ? -7.375 8.443 41.307 0.00 15.00 ? 46 MET A H 1 +ATOM 441 N N . ILE A 1 47 ? -6.965 9.699 37.597 1.00 30.60 ? 47 ILE A N 1 +ATOM 442 C CA . ILE A 1 47 ? -8.033 10.262 36.809 1.00 26.59 ? 47 ILE A CA 1 +ATOM 443 C C . ILE A 1 47 ? -7.951 9.700 35.432 1.00 23.26 ? 47 ILE A C 1 +ATOM 444 O O . ILE A 1 47 ? -6.893 9.252 35.015 1.00 24.97 ? 47 ILE A O 1 +ATOM 445 C CB . ILE A 1 47 ? -7.931 11.799 36.789 1.00 29.98 ? 47 ILE A CB 1 +ATOM 446 C CG1 . ILE A 1 47 ? -6.633 12.335 36.218 1.00 32.26 ? 47 ILE A CG1 1 +ATOM 447 C CG2 . ILE A 1 47 ? -8.148 12.338 38.205 1.00 30.77 ? 47 ILE A CG2 1 +ATOM 448 C CD1 . ILE A 1 47 ? -6.808 13.728 35.629 1.00 27.86 ? 47 ILE A CD1 1 +ATOM 449 H H . ILE A 1 47 ? -6.030 9.612 37.239 0.00 15.00 ? 47 ILE A H 1 +ATOM 450 N N . GLY A 1 48 ? -9.078 9.709 34.737 1.00 19.26 ? 48 GLY A N 1 +ATOM 451 C CA . GLY A 1 48 ? -9.052 9.165 33.383 1.00 24.66 ? 48 GLY A CA 1 +ATOM 452 C C . GLY A 1 48 ? -9.348 10.198 32.305 1.00 22.48 ? 48 GLY A C 1 +ATOM 453 O O . GLY A 1 48 ? -10.179 11.083 32.453 1.00 24.38 ? 48 GLY A O 1 +ATOM 454 H H . GLY A 1 48 ? -9.911 10.166 35.063 0.00 15.00 ? 48 GLY A H 1 +ATOM 455 N N . GLY A 1 49 ? -8.650 10.060 31.218 1.00 20.67 ? 49 GLY A N 1 +ATOM 456 C CA . GLY A 1 49 ? -8.789 11.026 30.140 1.00 23.70 ? 49 GLY A CA 1 +ATOM 457 C C . GLY A 1 49 ? -8.981 10.298 28.866 1.00 23.98 ? 49 GLY A C 1 +ATOM 458 O O . GLY A 1 49 ? -9.414 9.158 28.849 1.00 25.27 ? 49 GLY A O 1 +ATOM 459 H H . GLY A 1 49 ? -8.021 9.284 31.128 0.00 15.00 ? 49 GLY A H 1 +ATOM 460 N N . ILE A 1 50 ? -8.616 10.950 27.786 1.00 28.70 ? 50 ILE A N 1 +ATOM 461 C CA . ILE A 1 50 ? -8.884 10.280 26.531 1.00 30.94 ? 50 ILE A CA 1 +ATOM 462 C C . ILE A 1 50 ? -8.205 8.951 26.379 1.00 36.29 ? 50 ILE A C 1 +ATOM 463 O O . ILE A 1 50 ? -8.806 7.963 25.958 1.00 40.00 ? 50 ILE A O 1 +ATOM 464 C CB . ILE A 1 50 ? -8.652 11.181 25.287 1.00 34.60 ? 50 ILE A CB 1 +ATOM 465 C CG1 . ILE A 1 50 ? -9.862 10.969 24.400 1.00 35.27 ? 50 ILE A CG1 1 +ATOM 466 C CG2 . ILE A 1 50 ? -7.424 10.959 24.407 1.00 34.72 ? 50 ILE A CG2 1 +ATOM 467 C CD1 . ILE A 1 50 ? -11.018 11.730 25.033 1.00 35.48 ? 50 ILE A CD1 1 +ATOM 468 H H . ILE A 1 50 ? -8.190 11.846 27.844 0.00 15.00 ? 50 ILE A H 1 +ATOM 469 N N . GLY A 1 51 ? -6.921 8.946 26.736 1.00 36.32 ? 51 GLY A N 1 +ATOM 470 C CA . GLY A 1 51 ? -6.227 7.694 26.433 1.00 33.52 ? 51 GLY A CA 1 +ATOM 471 C C . GLY A 1 51 ? -6.049 6.734 27.617 1.00 33.05 ? 51 GLY A C 1 +ATOM 472 O O . GLY A 1 51 ? -5.392 5.715 27.500 1.00 34.95 ? 51 GLY A O 1 +ATOM 473 H H . GLY A 1 51 ? -6.491 9.688 27.250 0.00 15.00 ? 51 GLY A H 1 +ATOM 474 N N . GLY A 1 52 ? -6.592 7.067 28.772 1.00 30.43 ? 52 GLY A N 1 +ATOM 475 C CA . GLY A 1 52 ? -6.361 6.126 29.843 1.00 31.49 ? 52 GLY A CA 1 +ATOM 476 C C . GLY A 1 52 ? -6.294 6.850 31.139 1.00 31.21 ? 52 GLY A C 1 +ATOM 477 O O . GLY A 1 52 ? -6.822 7.940 31.254 1.00 31.23 ? 52 GLY A O 1 +ATOM 478 H H . GLY A 1 52 ? -7.147 7.885 28.914 0.00 15.00 ? 52 GLY A H 1 +ATOM 479 N N . PHE A 1 53 ? -5.667 6.219 32.104 1.00 30.43 ? 53 PHE A N 1 +ATOM 480 C CA . PHE A 1 53 ? -5.666 6.761 33.458 1.00 30.04 ? 53 PHE A CA 1 +ATOM 481 C C . PHE A 1 53 ? -4.315 7.291 33.811 1.00 30.96 ? 53 PHE A C 1 +ATOM 482 O O . PHE A 1 53 ? -3.295 6.719 33.459 1.00 33.57 ? 53 PHE A O 1 +ATOM 483 C CB . PHE A 1 53 ? -5.977 5.641 34.448 1.00 28.69 ? 53 PHE A CB 1 +ATOM 484 C CG . PHE A 1 53 ? -7.470 5.518 34.596 1.00 31.31 ? 53 PHE A CG 1 +ATOM 485 C CD1 . PHE A 1 53 ? -8.267 5.101 33.502 1.00 31.65 ? 53 PHE A CD1 1 +ATOM 486 C CD2 . PHE A 1 53 ? -8.072 5.932 35.807 1.00 33.06 ? 53 PHE A CD2 1 +ATOM 487 C CE1 . PHE A 1 53 ? -9.671 5.134 33.613 1.00 30.38 ? 53 PHE A CE1 1 +ATOM 488 C CE2 . PHE A 1 53 ? -9.478 5.960 35.911 1.00 31.29 ? 53 PHE A CE2 1 +ATOM 489 C CZ . PHE A 1 53 ? -10.270 5.570 34.811 1.00 29.91 ? 53 PHE A CZ 1 +ATOM 490 H H . PHE A 1 53 ? -5.090 5.425 31.893 0.00 15.00 ? 53 PHE A H 1 +ATOM 491 N N . ILE A 1 54 ? -4.311 8.386 34.547 1.00 32.27 ? 54 ILE A N 1 +ATOM 492 C CA . ILE A 1 54 ? -3.046 8.779 35.168 1.00 32.09 ? 54 ILE A CA 1 +ATOM 493 C C . ILE A 1 54 ? -3.246 8.810 36.687 1.00 32.33 ? 54 ILE A C 1 +ATOM 494 O O . ILE A 1 54 ? -4.358 8.988 37.181 1.00 31.07 ? 54 ILE A O 1 +ATOM 495 C CB . ILE A 1 54 ? -2.460 10.154 34.635 1.00 32.28 ? 54 ILE A CB 1 +ATOM 496 C CG1 . ILE A 1 54 ? -3.358 11.389 34.883 1.00 29.63 ? 54 ILE A CG1 1 +ATOM 497 C CG2 . ILE A 1 54 ? -1.970 10.076 33.177 1.00 30.06 ? 54 ILE A CG2 1 +ATOM 498 C CD1 . ILE A 1 54 ? -2.572 12.687 34.748 1.00 30.96 ? 54 ILE A CD1 1 +ATOM 499 H H . ILE A 1 54 ? -5.172 8.841 34.789 0.00 15.00 ? 54 ILE A H 1 +ATOM 500 N N . LYS A 1 55 ? -2.117 8.639 37.393 1.00 32.62 ? 55 LYS A N 1 +ATOM 501 C CA . LYS A 1 55 ? -2.083 8.793 38.852 1.00 33.91 ? 55 LYS A CA 1 +ATOM 502 C C . LYS A 1 55 ? -1.566 10.161 39.270 1.00 31.97 ? 55 LYS A C 1 +ATOM 503 O O . LYS A 1 55 ? -0.510 10.626 38.865 1.00 30.14 ? 55 LYS A O 1 +ATOM 504 C CB . LYS A 1 55 ? -1.238 7.641 39.462 1.00 36.47 ? 55 LYS A CB 1 +ATOM 505 C CG . LYS A 1 55 ? -1.747 7.122 40.823 1.00 44.11 ? 55 LYS A CG 1 +ATOM 506 C CD . LYS A 1 55 ? -0.838 6.093 41.507 1.00 45.27 ? 55 LYS A CD 1 +ATOM 507 C CE . LYS A 1 55 ? -0.670 4.822 40.673 1.00 48.26 ? 55 LYS A CE 1 +ATOM 508 N NZ . LYS A 1 55 ? 0.152 3.834 41.398 1.00 49.74 ? 55 LYS A NZ 1 +ATOM 509 H H . LYS A 1 55 ? -1.244 8.505 36.917 0.00 15.00 ? 55 LYS A H 1 +ATOM 510 H HZ1 . LYS A 1 55 ? -0.308 3.594 42.300 0.00 15.00 ? 55 LYS A HZ1 1 +ATOM 511 H HZ2 . LYS A 1 55 ? 0.249 2.975 40.819 0.00 15.00 ? 55 LYS A HZ2 1 +ATOM 512 H HZ3 . LYS A 1 55 ? 1.092 4.236 41.584 0.00 15.00 ? 55 LYS A HZ3 1 +ATOM 513 N N . VAL A 1 56 ? -2.381 10.814 40.077 1.00 31.27 ? 56 VAL A N 1 +ATOM 514 C CA . VAL A 1 56 ? -2.069 12.175 40.493 1.00 33.63 ? 56 VAL A CA 1 +ATOM 515 C C . VAL A 1 56 ? -2.082 12.284 42.022 1.00 33.84 ? 56 VAL A C 1 +ATOM 516 O O . VAL A 1 56 ? -2.613 11.424 42.716 1.00 35.22 ? 56 VAL A O 1 +ATOM 517 C CB . VAL A 1 56 ? -3.132 13.104 39.865 1.00 31.23 ? 56 VAL A CB 1 +ATOM 518 C CG1 . VAL A 1 56 ? -3.121 13.013 38.345 1.00 27.34 ? 56 VAL A CG1 1 +ATOM 519 C CG2 . VAL A 1 56 ? -4.538 12.805 40.379 1.00 31.59 ? 56 VAL A CG2 1 +ATOM 520 H H . VAL A 1 56 ? -3.199 10.376 40.451 0.00 15.00 ? 56 VAL A H 1 +ATOM 521 N N . ARG A 1 57 ? -1.507 13.368 42.535 1.00 32.86 ? 57 ARG A N 1 +ATOM 522 C CA . ARG A 1 57 ? -1.664 13.688 43.964 1.00 35.54 ? 57 ARG A CA 1 +ATOM 523 C C . ARG A 1 57 ? -2.664 14.805 44.157 1.00 32.07 ? 57 ARG A C 1 +ATOM 524 O O . ARG A 1 57 ? -2.518 15.858 43.574 1.00 32.57 ? 57 ARG A O 1 +ATOM 525 C CB . ARG A 1 57 ? -0.321 14.172 44.545 1.00 35.24 ? 57 ARG A CB 1 +ATOM 526 C CG . ARG A 1 57 ? 0.865 13.323 44.076 1.00 37.48 ? 57 ARG A CG 1 +ATOM 527 C CD . ARG A 1 57 ? 2.222 13.774 44.604 1.00 41.44 ? 57 ARG A CD 1 +ATOM 528 N NE . ARG A 1 57 ? 2.455 15.203 44.362 1.00 45.81 ? 57 ARG A NE 1 +ATOM 529 C CZ . ARG A 1 57 ? 3.602 15.622 43.781 1.00 52.17 ? 57 ARG A CZ 1 +ATOM 530 N NH1 . ARG A 1 57 ? 4.553 14.752 43.435 1.00 51.35 ? 57 ARG A NH1 1 +ATOM 531 N NH2 . ARG A 1 57 ? 3.810 16.923 43.530 1.00 53.95 ? 57 ARG A NH2 1 +ATOM 532 H H . ARG A 1 57 ? -1.077 14.030 41.916 0.00 15.00 ? 57 ARG A H 1 +ATOM 533 H HE . ARG A 1 57 ? 1.761 15.871 44.634 0.00 15.00 ? 57 ARG A HE 1 +ATOM 534 H HH11 . ARG A 1 57 ? 4.432 13.774 43.604 0.00 15.00 ? 57 ARG A HH11 1 +ATOM 535 H HH12 . ARG A 1 57 ? 5.392 15.081 43.001 0.00 15.00 ? 57 ARG A HH12 1 +ATOM 536 H HH21 . ARG A 1 57 ? 3.116 17.598 43.779 0.00 15.00 ? 57 ARG A HH21 1 +ATOM 537 H HH22 . ARG A 1 57 ? 4.660 17.218 43.094 0.00 15.00 ? 57 ARG A HH22 1 +ATOM 538 N N . GLN A 1 58 ? -3.665 14.561 44.954 1.00 31.68 ? 58 GLN A N 1 +ATOM 539 C CA . GLN A 1 58 ? -4.652 15.551 45.304 1.00 33.67 ? 58 GLN A CA 1 +ATOM 540 C C . GLN A 1 58 ? -4.147 16.352 46.465 1.00 33.71 ? 58 GLN A C 1 +ATOM 541 O O . GLN A 1 58 ? -3.863 15.794 47.514 1.00 33.54 ? 58 GLN A O 1 +ATOM 542 C CB . GLN A 1 58 ? -5.939 14.828 45.723 1.00 35.22 ? 58 GLN A CB 1 +ATOM 543 C CG . GLN A 1 58 ? -7.045 15.763 46.228 1.00 36.57 ? 58 GLN A CG 1 +ATOM 544 C CD . GLN A 1 58 ? -8.415 15.092 46.417 1.00 39.97 ? 58 GLN A CD 1 +ATOM 545 O OE1 . GLN A 1 58 ? -8.873 14.271 45.638 1.00 44.14 ? 58 GLN A OE1 1 +ATOM 546 N NE2 . GLN A 1 58 ? -9.125 15.511 47.460 1.00 41.88 ? 58 GLN A NE2 1 +ATOM 547 H H . GLN A 1 58 ? -3.725 13.670 45.396 0.00 15.00 ? 58 GLN A H 1 +ATOM 548 H HE21 . GLN A 1 58 ? -10.050 15.165 47.641 0.00 15.00 ? 58 GLN A HE21 1 +ATOM 549 H HE22 . GLN A 1 58 ? -8.759 16.185 48.100 0.00 15.00 ? 58 GLN A HE22 1 +ATOM 550 N N . TYR A 1 59 ? -4.096 17.661 46.267 1.00 31.86 ? 59 TYR A N 1 +ATOM 551 C CA . TYR A 1 59 ? -3.901 18.588 47.380 1.00 31.35 ? 59 TYR A CA 1 +ATOM 552 C C . TYR A 1 59 ? -5.107 19.454 47.478 1.00 29.27 ? 59 TYR A C 1 +ATOM 553 O O . TYR A 1 59 ? -5.698 19.814 46.476 1.00 27.32 ? 59 TYR A O 1 +ATOM 554 C CB . TYR A 1 59 ? -2.784 19.571 47.102 1.00 34.78 ? 59 TYR A CB 1 +ATOM 555 C CG . TYR A 1 59 ? -1.412 18.958 47.030 1.00 38.95 ? 59 TYR A CG 1 +ATOM 556 C CD1 . TYR A 1 59 ? -0.961 18.347 45.830 1.00 38.66 ? 59 TYR A CD1 1 +ATOM 557 C CD2 . TYR A 1 59 ? -0.543 19.123 48.130 1.00 40.26 ? 59 TYR A CD2 1 +ATOM 558 C CE1 . TYR A 1 59 ? 0.381 17.934 45.728 1.00 40.91 ? 59 TYR A CE1 1 +ATOM 559 C CE2 . TYR A 1 59 ? 0.800 18.704 48.022 1.00 43.21 ? 59 TYR A CE2 1 +ATOM 560 C CZ . TYR A 1 59 ? 1.259 18.125 46.821 1.00 40.36 ? 59 TYR A CZ 1 +ATOM 561 O OH . TYR A 1 59 ? 2.596 17.804 46.696 1.00 46.15 ? 59 TYR A OH 1 +ATOM 562 H H . TYR A 1 59 ? -4.255 18.051 45.355 0.00 15.00 ? 59 TYR A H 1 +ATOM 563 H HH . TYR A 1 59 ? 2.764 17.510 45.795 0.00 15.00 ? 59 TYR A HH 1 +ATOM 564 N N . ASP A 1 60 ? -5.480 19.755 48.701 1.00 29.46 ? 60 ASP A N 1 +ATOM 565 C CA . ASP A 1 60 ? -6.696 20.523 48.941 1.00 35.61 ? 60 ASP A CA 1 +ATOM 566 C C . ASP A 1 60 ? -6.316 21.872 49.490 1.00 36.79 ? 60 ASP A C 1 +ATOM 567 O O . ASP A 1 60 ? -5.193 22.083 49.928 1.00 36.05 ? 60 ASP A O 1 +ATOM 568 C CB . ASP A 1 60 ? -7.613 19.827 49.967 1.00 39.12 ? 60 ASP A CB 1 +ATOM 569 C CG . ASP A 1 60 ? -8.114 18.471 49.469 1.00 48.84 ? 60 ASP A CG 1 +ATOM 570 O OD1 . ASP A 1 60 ? -8.290 18.315 48.259 1.00 53.10 ? 60 ASP A OD1 1 +ATOM 571 O OD2 . ASP A 1 60 ? -8.342 17.564 50.283 1.00 47.21 ? 60 ASP A OD2 1 +ATOM 572 H H . ASP A 1 60 ? -4.872 19.563 49.470 0.00 15.00 ? 60 ASP A H 1 +ATOM 573 N N . GLN A 1 61 ? -7.282 22.783 49.469 1.00 36.76 ? 61 GLN A N 1 +ATOM 574 C CA . GLN A 1 61 ? -7.049 24.153 49.891 1.00 38.31 ? 61 GLN A CA 1 +ATOM 575 C C . GLN A 1 61 ? -5.769 24.749 49.351 1.00 33.58 ? 61 GLN A C 1 +ATOM 576 O O . GLN A 1 61 ? -4.984 25.273 50.112 1.00 34.11 ? 61 GLN A O 1 +ATOM 577 C CB . GLN A 1 61 ? -7.129 24.263 51.434 1.00 43.01 ? 61 GLN A CB 1 +ATOM 578 C CG . GLN A 1 61 ? -8.544 24.398 52.088 1.00 48.98 ? 61 GLN A CG 1 +ATOM 579 C CD . GLN A 1 61 ? -9.055 25.856 52.327 1.00 51.52 ? 61 GLN A CD 1 +ATOM 580 O OE1 . GLN A 1 61 ? -9.933 26.386 51.659 1.00 55.36 ? 61 GLN A OE1 1 +ATOM 581 N NE2 . GLN A 1 61 ? -8.551 26.494 53.367 1.00 52.74 ? 61 GLN A NE2 1 +ATOM 582 H H . GLN A 1 61 ? -8.186 22.527 49.126 0.00 15.00 ? 61 GLN A H 1 +ATOM 583 H HE21 . GLN A 1 61 ? -8.759 27.454 53.569 0.00 15.00 ? 61 GLN A HE21 1 +ATOM 584 H HE22 . GLN A 1 61 ? -7.887 26.062 53.978 0.00 15.00 ? 61 GLN A HE22 1 +ATOM 585 N N . ILE A 1 62 ? -5.571 24.667 48.030 1.00 29.67 ? 62 ILE A N 1 +ATOM 586 C CA . ILE A 1 62 ? -4.423 25.363 47.421 1.00 24.60 ? 62 ILE A CA 1 +ATOM 587 C C . ILE A 1 62 ? -4.850 26.724 46.805 1.00 24.72 ? 62 ILE A C 1 +ATOM 588 O O . ILE A 1 62 ? -5.901 26.853 46.181 1.00 20.88 ? 62 ILE A O 1 +ATOM 589 C CB . ILE A 1 62 ? -3.817 24.439 46.361 1.00 21.45 ? 62 ILE A CB 1 +ATOM 590 C CG1 . ILE A 1 62 ? -3.383 23.159 47.029 1.00 26.55 ? 62 ILE A CG1 1 +ATOM 591 C CG2 . ILE A 1 62 ? -2.642 25.036 45.610 1.00 21.94 ? 62 ILE A CG2 1 +ATOM 592 C CD1 . ILE A 1 62 ? -2.223 23.418 47.990 1.00 26.83 ? 62 ILE A CD1 1 +ATOM 593 H H . ILE A 1 62 ? -6.237 24.220 47.425 0.00 15.00 ? 62 ILE A H 1 +ATOM 594 N N . LEU A 1 63 ? -4.031 27.752 47.020 1.00 19.95 ? 63 LEU A N 1 +ATOM 595 C CA . LEU A 1 63 ? -4.420 29.045 46.481 1.00 21.56 ? 63 LEU A CA 1 +ATOM 596 C C . LEU A 1 63 ? -3.870 29.220 45.098 1.00 18.06 ? 63 LEU A C 1 +ATOM 597 O O . LEU A 1 63 ? -2.704 28.925 44.900 1.00 23.49 ? 63 LEU A O 1 +ATOM 598 C CB . LEU A 1 63 ? -3.862 30.107 47.462 1.00 19.33 ? 63 LEU A CB 1 +ATOM 599 C CG . LEU A 1 63 ? -3.965 31.577 47.064 1.00 17.00 ? 63 LEU A CG 1 +ATOM 600 C CD1 . LEU A 1 63 ? -5.395 32.051 47.130 1.00 16.46 ? 63 LEU A CD1 1 +ATOM 601 C CD2 . LEU A 1 63 ? -3.018 32.422 47.937 1.00 15.32 ? 63 LEU A CD2 1 +ATOM 602 H H . LEU A 1 63 ? -3.151 27.622 47.479 0.00 15.00 ? 63 LEU A H 1 +ATOM 603 N N . ILE A 1 64 ? -4.679 29.703 44.176 1.00 17.00 ? 64 ILE A N 1 +ATOM 604 C CA . ILE A 1 64 ? -4.192 29.949 42.829 1.00 20.21 ? 64 ILE A CA 1 +ATOM 605 C C . ILE A 1 64 ? -4.649 31.324 42.433 1.00 20.37 ? 64 ILE A C 1 +ATOM 606 O O . ILE A 1 64 ? -5.693 31.757 42.874 1.00 21.57 ? 64 ILE A O 1 +ATOM 607 C CB . ILE A 1 64 ? -4.769 28.910 41.810 1.00 24.19 ? 64 ILE A CB 1 +ATOM 608 C CG1 . ILE A 1 64 ? -4.221 27.476 41.914 1.00 26.14 ? 64 ILE A CG1 1 +ATOM 609 C CG2 . ILE A 1 64 ? -4.443 29.273 40.357 1.00 26.93 ? 64 ILE A CG2 1 +ATOM 610 C CD1 . ILE A 1 64 ? -4.420 26.666 40.603 1.00 23.41 ? 64 ILE A CD1 1 +ATOM 611 H H . ILE A 1 64 ? -5.638 29.920 44.385 0.00 15.00 ? 64 ILE A H 1 +ATOM 612 N N . GLU A 1 65 ? -3.889 32.027 41.617 1.00 20.95 ? 65 GLU A N 1 +ATOM 613 C CA . GLU A 1 65 ? -4.438 33.274 41.069 1.00 24.83 ? 65 GLU A CA 1 +ATOM 614 C C . GLU A 1 65 ? -4.397 33.159 39.593 1.00 26.20 ? 65 GLU A C 1 +ATOM 615 O O . GLU A 1 65 ? -3.304 32.966 39.081 1.00 29.37 ? 65 GLU A O 1 +ATOM 616 C CB . GLU A 1 65 ? -3.585 34.474 41.396 1.00 23.73 ? 65 GLU A CB 1 +ATOM 617 C CG . GLU A 1 65 ? -3.577 34.662 42.889 1.00 28.41 ? 65 GLU A CG 1 +ATOM 618 C CD . GLU A 1 65 ? -2.583 35.735 43.251 1.00 36.66 ? 65 GLU A CD 1 +ATOM 619 O OE1 . GLU A 1 65 ? -2.633 36.807 42.627 1.00 39.26 ? 65 GLU A OE1 1 +ATOM 620 O OE2 . GLU A 1 65 ? -1.757 35.487 44.151 1.00 39.12 ? 65 GLU A OE2 1 +ATOM 621 H H . GLU A 1 65 ? -3.008 31.677 41.289 0.00 15.00 ? 65 GLU A H 1 +ATOM 622 N N . ILE A 1 66 ? -5.577 33.195 38.978 1.00 28.81 ? 66 ILE A N 1 +ATOM 623 C CA . ILE A 1 66 ? -5.889 32.903 37.558 1.00 31.44 ? 66 ILE A CA 1 +ATOM 624 C C . ILE A 1 66 ? -6.300 34.230 36.974 1.00 33.08 ? 66 ILE A C 1 +ATOM 625 O O . ILE A 1 66 ? -7.312 34.765 37.396 1.00 30.21 ? 66 ILE A O 1 +ATOM 626 C CB . ILE A 1 66 ? -7.179 32.025 37.490 1.00 33.35 ? 66 ILE A CB 1 +ATOM 627 C CG1 . ILE A 1 66 ? -7.147 30.725 38.316 1.00 32.69 ? 66 ILE A CG1 1 +ATOM 628 C CG2 . ILE A 1 66 ? -7.634 31.766 36.045 1.00 31.23 ? 66 ILE A CG2 1 +ATOM 629 C CD1 . ILE A 1 66 ? -8.533 30.065 38.448 1.00 31.61 ? 66 ILE A CD1 1 +ATOM 630 H H . ILE A 1 66 ? -6.362 33.489 39.533 0.00 15.00 ? 66 ILE A H 1 +HETATM 631 N N . CSO A 1 67 ? -5.503 34.809 36.078 1.00 38.75 ? 67 CSO A N 1 +HETATM 632 C CA . CSO A 1 67 ? -5.606 36.288 35.944 1.00 44.97 ? 67 CSO A CA 1 +HETATM 633 C CB . CSO A 1 67 ? -6.855 36.771 35.127 1.00 47.19 ? 67 CSO A CB 1 +HETATM 634 S SG . CSO A 1 67 ? -6.954 36.583 33.304 1.00 53.04 ? 67 CSO A SG 1 +HETATM 635 C C . CSO A 1 67 ? -5.591 36.967 37.350 1.00 44.19 ? 67 CSO A C 1 +HETATM 636 O O . CSO A 1 67 ? -5.087 36.408 38.311 1.00 43.84 ? 67 CSO A O 1 +HETATM 637 O OD . CSO A 1 67 ? -6.606 38.059 32.857 1.00 53.38 ? 67 CSO A OD 1 +HETATM 638 H H . CSO A 1 67 ? -4.674 34.344 35.760 0.00 15.00 ? 67 CSO A H 1 +HETATM 639 H HD . CSO A 1 67 ? -7.407 38.609 32.791 0.00 15.00 ? 67 CSO A HD 1 +ATOM 640 N N . GLY A 1 68 ? -6.185 38.152 37.510 1.00 45.88 ? 68 GLY A N 1 +ATOM 641 C CA . GLY A 1 68 ? -6.206 38.676 38.888 1.00 46.10 ? 68 GLY A CA 1 +ATOM 642 C C . GLY A 1 68 ? -7.300 38.100 39.816 1.00 47.26 ? 68 GLY A C 1 +ATOM 643 O O . GLY A 1 68 ? -7.925 38.799 40.611 1.00 49.57 ? 68 GLY A O 1 +ATOM 644 H H . GLY A 1 68 ? -6.603 38.661 36.759 0.00 15.00 ? 68 GLY A H 1 +ATOM 645 N N . HIS A 1 69 ? -7.541 36.791 39.695 1.00 42.37 ? 69 HIS A N 1 +ATOM 646 C CA . HIS A 1 69 ? -8.638 36.237 40.510 1.00 39.27 ? 69 HIS A CA 1 +ATOM 647 C C . HIS A 1 69 ? -8.099 35.111 41.366 1.00 34.05 ? 69 HIS A C 1 +ATOM 648 O O . HIS A 1 69 ? -7.558 34.155 40.834 1.00 34.36 ? 69 HIS A O 1 +ATOM 649 C CB . HIS A 1 69 ? -9.732 35.578 39.656 1.00 34.24 ? 69 HIS A CB 1 +ATOM 650 C CG . HIS A 1 69 ? -10.353 36.495 38.647 1.00 37.40 ? 69 HIS A CG 1 +ATOM 651 N ND1 . HIS A 1 69 ? -9.656 37.123 37.694 1.00 36.46 ? 69 HIS A ND1 1 +ATOM 652 C CD2 . HIS A 1 69 ? -11.720 36.783 38.487 1.00 38.89 ? 69 HIS A CD2 1 +ATOM 653 C CE1 . HIS A 1 69 ? -10.550 37.811 36.914 1.00 37.80 ? 69 HIS A CE1 1 +ATOM 654 N NE2 . HIS A 1 69 ? -11.819 37.605 37.405 1.00 41.25 ? 69 HIS A NE2 1 +ATOM 655 H H . HIS A 1 69 ? -6.937 36.168 39.193 0.00 15.00 ? 69 HIS A H 1 +ATOM 656 H HD1 . HIS A 1 69 ? -8.699 37.019 37.541 0.00 15.00 ? 69 HIS A HD1 1 +ATOM 657 N N . LYS A 1 70 ? -8.290 35.232 42.675 1.00 30.69 ? 70 LYS A N 1 +ATOM 658 C CA . LYS A 1 70 ? -7.914 34.149 43.571 1.00 27.94 ? 70 LYS A CA 1 +ATOM 659 C C . LYS A 1 70 ? -9.027 33.170 43.744 1.00 26.60 ? 70 LYS A C 1 +ATOM 660 O O . LYS A 1 70 ? -10.178 33.566 43.788 1.00 27.58 ? 70 LYS A O 1 +ATOM 661 C CB . LYS A 1 70 ? -7.658 34.685 44.949 1.00 28.25 ? 70 LYS A CB 1 +ATOM 662 C CG . LYS A 1 70 ? -6.627 35.765 44.943 1.00 30.92 ? 70 LYS A CG 1 +ATOM 663 C CD . LYS A 1 70 ? -6.231 36.150 46.353 1.00 34.58 ? 70 LYS A CD 1 +ATOM 664 C CE . LYS A 1 70 ? -5.391 37.433 46.306 1.00 37.07 ? 70 LYS A CE 1 +ATOM 665 N NZ . LYS A 1 70 ? -6.277 38.589 45.991 1.00 41.01 ? 70 LYS A NZ 1 +ATOM 666 H H . LYS A 1 70 ? -8.831 35.993 43.021 0.00 15.00 ? 70 LYS A H 1 +ATOM 667 H HZ1 . LYS A 1 70 ? -6.769 38.417 45.091 0.00 15.00 ? 70 LYS A HZ1 1 +ATOM 668 H HZ2 . LYS A 1 70 ? -6.976 38.705 46.752 0.00 15.00 ? 70 LYS A HZ2 1 +ATOM 669 H HZ3 . LYS A 1 70 ? -5.705 39.453 45.912 0.00 15.00 ? 70 LYS A HZ3 1 +ATOM 670 N N . ALA A 1 71 ? -8.674 31.907 43.873 1.00 25.37 ? 71 ALA A N 1 +ATOM 671 C CA . ALA A 1 71 ? -9.576 30.788 44.101 1.00 24.57 ? 71 ALA A CA 1 +ATOM 672 C C . ALA A 1 71 ? -8.794 29.917 45.037 1.00 23.87 ? 71 ALA A C 1 +ATOM 673 O O . ALA A 1 71 ? -7.568 29.907 44.978 1.00 20.96 ? 71 ALA A O 1 +ATOM 674 C CB . ALA A 1 71 ? -9.851 30.036 42.793 1.00 23.16 ? 71 ALA A CB 1 +ATOM 675 H H . ALA A 1 71 ? -7.703 31.655 43.817 0.00 15.00 ? 71 ALA A H 1 +ATOM 676 N N . ILE A 1 72 ? -9.499 29.217 45.912 1.00 23.29 ? 72 ILE A N 1 +ATOM 677 C CA . ILE A 1 72 ? -8.839 28.181 46.740 1.00 24.53 ? 72 ILE A CA 1 +ATOM 678 C C . ILE A 1 72 ? -9.588 26.891 46.453 1.00 23.66 ? 72 ILE A C 1 +ATOM 679 O O . ILE A 1 72 ? -10.802 26.896 46.341 1.00 20.97 ? 72 ILE A O 1 +ATOM 680 C CB . ILE A 1 72 ? -8.842 28.478 48.291 1.00 24.77 ? 72 ILE A CB 1 +ATOM 681 C CG1 . ILE A 1 72 ? -7.750 29.442 48.740 1.00 25.94 ? 72 ILE A CG1 1 +ATOM 682 C CG2 . ILE A 1 72 ? -8.573 27.226 49.096 1.00 24.27 ? 72 ILE A CG2 1 +ATOM 683 C CD1 . ILE A 1 72 ? -7.621 29.517 50.264 1.00 28.86 ? 72 ILE A CD1 1 +ATOM 684 H H . ILE A 1 72 ? -10.502 29.251 45.911 0.00 15.00 ? 72 ILE A H 1 +ATOM 685 N N . GLY A 1 73 ? -8.861 25.805 46.307 1.00 23.29 ? 73 GLY A N 1 +ATOM 686 C CA . GLY A 1 73 ? -9.517 24.558 45.966 1.00 21.63 ? 73 GLY A CA 1 +ATOM 687 C C . GLY A 1 73 ? -8.524 23.481 45.701 1.00 21.55 ? 73 GLY A C 1 +ATOM 688 O O . GLY A 1 73 ? -7.328 23.606 45.960 1.00 21.73 ? 73 GLY A O 1 +ATOM 689 H H . GLY A 1 73 ? -7.858 25.835 46.346 0.00 15.00 ? 73 GLY A H 1 +ATOM 690 N N . THR A 1 74 ? -9.102 22.404 45.200 1.00 24.00 ? 74 THR A N 1 +ATOM 691 C CA . THR A 1 74 ? -8.334 21.187 44.976 1.00 22.59 ? 74 THR A CA 1 +ATOM 692 C C . THR A 1 74 ? -7.596 21.243 43.682 1.00 19.90 ? 74 THR A C 1 +ATOM 693 O O . THR A 1 74 ? -8.167 21.602 42.663 1.00 18.60 ? 74 THR A O 1 +ATOM 694 C CB . THR A 1 74 ? -9.304 19.984 44.934 1.00 25.80 ? 74 THR A CB 1 +ATOM 695 O OG1 . THR A 1 74 ? -10.041 19.933 46.159 1.00 27.15 ? 74 THR A OG1 1 +ATOM 696 C CG2 . THR A 1 74 ? -8.589 18.642 44.707 1.00 23.29 ? 74 THR A CG2 1 +ATOM 697 H H . THR A 1 74 ? -10.077 22.386 44.982 0.00 15.00 ? 74 THR A H 1 +ATOM 698 H HG1 . THR A 1 74 ? -10.712 19.241 46.069 0.00 15.00 ? 74 THR A HG1 1 +ATOM 699 N N . VAL A 1 75 ? -6.342 20.872 43.778 1.00 18.32 ? 75 VAL A N 1 +ATOM 700 C CA . VAL A 1 75 ? -5.475 20.782 42.634 1.00 19.35 ? 75 VAL A CA 1 +ATOM 701 C C . VAL A 1 75 ? -4.830 19.405 42.632 1.00 19.29 ? 75 VAL A C 1 +ATOM 702 O O . VAL A 1 75 ? -4.334 18.906 43.628 1.00 21.38 ? 75 VAL A O 1 +ATOM 703 C CB . VAL A 1 75 ? -4.418 21.893 42.788 1.00 21.63 ? 75 VAL A CB 1 +ATOM 704 C CG1 . VAL A 1 75 ? -3.323 21.690 41.762 1.00 24.15 ? 75 VAL A CG1 1 +ATOM 705 C CG2 . VAL A 1 75 ? -5.008 23.324 42.629 1.00 22.91 ? 75 VAL A CG2 1 +ATOM 706 H H . VAL A 1 75 ? -5.974 20.592 44.671 0.00 15.00 ? 75 VAL A H 1 +ATOM 707 N N . LEU A 1 76 ? -4.849 18.764 41.471 1.00 24.57 ? 76 LEU A N 1 +ATOM 708 C CA . LEU A 1 76 ? -4.209 17.441 41.306 1.00 22.71 ? 76 LEU A CA 1 +ATOM 709 C C . LEU A 1 76 ? -2.878 17.620 40.583 1.00 27.24 ? 76 LEU A C 1 +ATOM 710 O O . LEU A 1 76 ? -2.811 18.359 39.597 1.00 29.67 ? 76 LEU A O 1 +ATOM 711 C CB . LEU A 1 76 ? -5.115 16.527 40.452 1.00 20.05 ? 76 LEU A CB 1 +ATOM 712 C CG . LEU A 1 76 ? -6.548 16.410 40.970 1.00 21.16 ? 76 LEU A CG 1 +ATOM 713 C CD1 . LEU A 1 76 ? -7.448 15.699 39.956 1.00 22.16 ? 76 LEU A CD1 1 +ATOM 714 C CD2 . LEU A 1 76 ? -6.551 15.726 42.325 1.00 20.93 ? 76 LEU A CD2 1 +ATOM 715 H H . LEU A 1 76 ? -5.199 19.207 40.644 0.00 15.00 ? 76 LEU A H 1 +ATOM 716 N N . VAL A 1 77 ? -1.817 16.980 41.060 1.00 25.12 ? 77 VAL A N 1 +ATOM 717 C CA . VAL A 1 77 ? -0.603 17.249 40.333 1.00 26.22 ? 77 VAL A CA 1 +ATOM 718 C C . VAL A 1 77 ? -0.158 15.960 39.728 1.00 28.27 ? 77 VAL A C 1 +ATOM 719 O O . VAL A 1 77 ? -0.322 14.923 40.361 1.00 28.73 ? 77 VAL A O 1 +ATOM 720 C CB . VAL A 1 77 ? 0.436 17.834 41.295 1.00 27.08 ? 77 VAL A CB 1 +ATOM 721 C CG1 . VAL A 1 77 ? 1.645 18.317 40.516 1.00 24.20 ? 77 VAL A CG1 1 +ATOM 722 C CG2 . VAL A 1 77 ? -0.142 18.991 42.108 1.00 23.03 ? 77 VAL A CG2 1 +ATOM 723 H H . VAL A 1 77 ? -1.874 16.399 41.875 0.00 15.00 ? 77 VAL A H 1 +ATOM 724 N N . GLY A 1 78 ? 0.341 16.026 38.499 1.00 28.25 ? 78 GLY A N 1 +ATOM 725 C CA . GLY A 1 78 ? 0.636 14.769 37.832 1.00 29.21 ? 78 GLY A CA 1 +ATOM 726 C C . GLY A 1 78 ? 1.214 14.965 36.455 1.00 31.97 ? 78 GLY A C 1 +ATOM 727 O O . GLY A 1 78 ? 1.548 16.071 36.053 1.00 33.78 ? 78 GLY A O 1 +ATOM 728 H H . GLY A 1 78 ? 0.461 16.900 38.017 0.00 15.00 ? 78 GLY A H 1 +ATOM 729 N N . PRO A 1 79 ? 1.348 13.844 35.735 1.00 35.14 ? 79 PRO A N 1 +ATOM 730 C CA . PRO A 1 79 ? 1.985 13.899 34.414 1.00 35.64 ? 79 PRO A CA 1 +ATOM 731 C C . PRO A 1 79 ? 0.950 14.218 33.354 1.00 34.16 ? 79 PRO A C 1 +ATOM 732 O O . PRO A 1 79 ? 0.611 13.431 32.484 1.00 36.15 ? 79 PRO A O 1 +ATOM 733 C CB . PRO A 1 79 ? 2.573 12.476 34.278 1.00 35.50 ? 79 PRO A CB 1 +ATOM 734 C CG . PRO A 1 79 ? 1.533 11.591 34.964 1.00 37.31 ? 79 PRO A CG 1 +ATOM 735 C CD . PRO A 1 79 ? 1.028 12.470 36.122 1.00 37.15 ? 79 PRO A CD 1 +ATOM 736 N N . THR A 1 80 ? 0.444 15.414 33.449 1.00 31.91 ? 80 THR A N 1 +ATOM 737 C CA . THR A 1 80 ? -0.388 15.845 32.356 1.00 29.04 ? 80 THR A CA 1 +ATOM 738 C C . THR A 1 80 ? 0.528 16.483 31.333 1.00 27.62 ? 80 THR A C 1 +ATOM 739 O O . THR A 1 80 ? 1.516 17.078 31.728 1.00 30.56 ? 80 THR A O 1 +ATOM 740 C CB . THR A 1 80 ? -1.377 16.833 32.958 1.00 25.91 ? 80 THR A CB 1 +ATOM 741 O OG1 . THR A 1 80 ? -2.097 17.445 31.915 1.00 21.94 ? 80 THR A OG1 1 +ATOM 742 C CG2 . THR A 1 80 ? -0.702 17.894 33.798 1.00 28.50 ? 80 THR A CG2 1 +ATOM 743 H H . THR A 1 80 ? 0.805 16.056 34.129 0.00 15.00 ? 80 THR A H 1 +ATOM 744 H HG1 . THR A 1 80 ? -2.438 18.302 32.218 0.00 15.00 ? 80 THR A HG1 1 +ATOM 745 N N . PRO A 1 81 ? 0.188 16.368 30.038 1.00 26.56 ? 81 PRO A N 1 +ATOM 746 C CA . PRO A 1 81 ? 0.926 17.146 29.047 1.00 26.29 ? 81 PRO A CA 1 +ATOM 747 C C . PRO A 1 81 ? 0.711 18.673 29.124 1.00 25.53 ? 81 PRO A C 1 +ATOM 748 O O . PRO A 1 81 ? 1.444 19.432 28.512 1.00 27.45 ? 81 PRO A O 1 +ATOM 749 C CB . PRO A 1 81 ? 0.325 16.641 27.727 1.00 25.53 ? 81 PRO A CB 1 +ATOM 750 C CG . PRO A 1 81 ? -0.503 15.412 28.016 1.00 23.84 ? 81 PRO A CG 1 +ATOM 751 C CD . PRO A 1 81 ? -0.907 15.591 29.447 1.00 23.94 ? 81 PRO A CD 1 +ATOM 752 N N . VAL A 1 82 ? -0.342 19.130 29.799 1.00 22.71 ? 82 VAL A N 1 +ATOM 753 C CA . VAL A 1 82 ? -0.662 20.562 29.756 1.00 22.56 ? 82 VAL A CA 1 +ATOM 754 C C . VAL A 1 82 ? -1.292 20.869 31.096 1.00 22.64 ? 82 VAL A C 1 +ATOM 755 O O . VAL A 1 82 ? -1.904 20.021 31.706 1.00 18.90 ? 82 VAL A O 1 +ATOM 756 C CB . VAL A 1 82 ? -1.627 20.942 28.561 1.00 23.13 ? 82 VAL A CB 1 +ATOM 757 C CG1 . VAL A 1 82 ? -2.971 20.242 28.656 1.00 21.83 ? 82 VAL A CG1 1 +ATOM 758 C CG2 . VAL A 1 82 ? -1.951 22.434 28.444 1.00 22.90 ? 82 VAL A CG2 1 +ATOM 759 H H . VAL A 1 82 ? -0.936 18.548 30.360 0.00 15.00 ? 82 VAL A H 1 +ATOM 760 N N . ASN A 1 83 ? -1.106 22.084 31.563 1.00 20.69 ? 83 ASN A N 1 +ATOM 761 C CA . ASN A 1 83 ? -1.727 22.483 32.815 1.00 18.67 ? 83 ASN A CA 1 +ATOM 762 C C . ASN A 1 83 ? -3.158 22.828 32.453 1.00 18.22 ? 83 ASN A C 1 +ATOM 763 O O . ASN A 1 83 ? -3.380 23.565 31.487 1.00 18.80 ? 83 ASN A O 1 +ATOM 764 C CB . ASN A 1 83 ? -1.004 23.738 33.365 1.00 20.97 ? 83 ASN A CB 1 +ATOM 765 C CG . ASN A 1 83 ? 0.383 23.480 33.952 1.00 22.03 ? 83 ASN A CG 1 +ATOM 766 O OD1 . ASN A 1 83 ? 0.624 22.546 34.700 1.00 24.98 ? 83 ASN A OD1 1 +ATOM 767 N ND2 . ASN A 1 83 ? 1.318 24.355 33.606 1.00 19.98 ? 83 ASN A ND2 1 +ATOM 768 H H . ASN A 1 83 ? -0.682 22.769 30.977 0.00 15.00 ? 83 ASN A H 1 +ATOM 769 H HD21 . ASN A 1 83 ? 2.261 24.273 33.927 0.00 15.00 ? 83 ASN A HD21 1 +ATOM 770 H HD22 . ASN A 1 83 ? 1.086 25.140 33.021 0.00 15.00 ? 83 ASN A HD22 1 +ATOM 771 N N . ILE A 1 84 ? -4.118 22.248 33.201 1.00 18.18 ? 84 ILE A N 1 +ATOM 772 C CA . ILE A 1 84 ? -5.574 22.351 32.925 1.00 15.79 ? 84 ILE A CA 1 +ATOM 773 C C . ILE A 1 84 ? -6.286 22.971 34.110 1.00 14.64 ? 84 ILE A C 1 +ATOM 774 O O . ILE A 1 84 ? -6.159 22.477 35.218 1.00 16.66 ? 84 ILE A O 1 +ATOM 775 C CB . ILE A 1 84 ? -6.127 20.915 32.703 1.00 14.90 ? 84 ILE A CB 1 +ATOM 776 C CG1 . ILE A 1 84 ? -5.483 20.339 31.425 1.00 17.02 ? 84 ILE A CG1 1 +ATOM 777 C CG2 . ILE A 1 84 ? -7.668 20.853 32.664 1.00 14.00 ? 84 ILE A CG2 1 +ATOM 778 C CD1 . ILE A 1 84 ? -5.817 18.918 30.968 1.00 18.11 ? 84 ILE A CD1 1 +ATOM 779 H H . ILE A 1 84 ? -3.841 21.685 33.986 0.00 15.00 ? 84 ILE A H 1 +ATOM 780 N N . ILE A 1 85 ? -7.041 24.051 33.877 1.00 13.68 ? 85 ILE A N 1 +ATOM 781 C CA . ILE A 1 85 ? -7.968 24.578 34.900 1.00 12.52 ? 85 ILE A CA 1 +ATOM 782 C C . ILE A 1 85 ? -9.373 24.120 34.590 1.00 8.52 ? 85 ILE A C 1 +ATOM 783 O O . ILE A 1 85 ? -9.912 24.449 33.553 1.00 15.56 ? 85 ILE A O 1 +ATOM 784 C CB . ILE A 1 85 ? -8.044 26.108 34.888 1.00 14.36 ? 85 ILE A CB 1 +ATOM 785 C CG1 . ILE A 1 85 ? -6.687 26.786 34.786 1.00 15.11 ? 85 ILE A CG1 1 +ATOM 786 C CG2 . ILE A 1 85 ? -8.869 26.593 36.091 1.00 14.94 ? 85 ILE A CG2 1 +ATOM 787 C CD1 . ILE A 1 85 ? -5.858 26.654 36.060 1.00 17.04 ? 85 ILE A CD1 1 +ATOM 788 H H . ILE A 1 85 ? -7.117 24.441 32.954 0.00 15.00 ? 85 ILE A H 1 +ATOM 789 N N . GLY A 1 86 ? -9.925 23.361 35.517 1.00 9.60 ? 86 GLY A N 1 +ATOM 790 C CA . GLY A 1 86 ? -11.218 22.762 35.268 1.00 14.32 ? 86 GLY A CA 1 +ATOM 791 C C . GLY A 1 86 ? -12.314 23.381 36.042 1.00 13.87 ? 86 GLY A C 1 +ATOM 792 O O . GLY A 1 86 ? -12.162 24.416 36.680 1.00 14.04 ? 86 GLY A O 1 +ATOM 793 H H . GLY A 1 86 ? -9.463 23.248 36.395 0.00 15.00 ? 86 GLY A H 1 +ATOM 794 N N . ARG A 1 87 ? -13.456 22.734 35.990 1.00 11.52 ? 87 ARG A N 1 +ATOM 795 C CA . ARG A 1 87 ? -14.671 23.374 36.508 1.00 15.26 ? 87 ARG A CA 1 +ATOM 796 C C . ARG A 1 87 ? -14.728 23.648 37.987 1.00 15.96 ? 87 ARG A C 1 +ATOM 797 O O . ARG A 1 87 ? -15.326 24.620 38.415 1.00 15.28 ? 87 ARG A O 1 +ATOM 798 C CB . ARG A 1 87 ? -15.921 22.637 36.055 1.00 14.46 ? 87 ARG A CB 1 +ATOM 799 C CG . ARG A 1 87 ? -16.209 22.560 34.532 1.00 16.59 ? 87 ARG A CG 1 +ATOM 800 C CD . ARG A 1 87 ? -17.550 21.840 34.259 1.00 15.97 ? 87 ARG A CD 1 +ATOM 801 N NE . ARG A 1 87 ? -17.588 20.483 34.840 1.00 18.65 ? 87 ARG A NE 1 +ATOM 802 C CZ . ARG A 1 87 ? -18.276 20.060 35.941 1.00 21.04 ? 87 ARG A CZ 1 +ATOM 803 N NH1 . ARG A 1 87 ? -19.029 20.824 36.698 1.00 20.85 ? 87 ARG A NH1 1 +ATOM 804 N NH2 . ARG A 1 87 ? -18.197 18.811 36.354 1.00 22.22 ? 87 ARG A NH2 1 +ATOM 805 H H . ARG A 1 87 ? -13.512 21.883 35.461 0.00 15.00 ? 87 ARG A H 1 +ATOM 806 H HE . ARG A 1 87 ? -16.992 19.812 34.407 0.00 15.00 ? 87 ARG A HE 1 +ATOM 807 H HH11 . ARG A 1 87 ? -19.145 21.792 36.474 0.00 15.00 ? 87 ARG A HH11 1 +ATOM 808 H HH12 . ARG A 1 87 ? -19.487 20.436 37.498 0.00 15.00 ? 87 ARG A HH12 1 +ATOM 809 H HH21 . ARG A 1 87 ? -17.637 18.155 35.851 0.00 15.00 ? 87 ARG A HH21 1 +ATOM 810 H HH22 . ARG A 1 87 ? -18.700 18.519 37.166 0.00 15.00 ? 87 ARG A HH22 1 +ATOM 811 N N . ASN A 1 88 ? -14.008 22.848 38.762 1.00 16.05 ? 88 ASN A N 1 +ATOM 812 C CA . ASN A 1 88 ? -13.831 23.243 40.154 1.00 14.96 ? 88 ASN A CA 1 +ATOM 813 C C . ASN A 1 88 ? -13.307 24.649 40.455 1.00 18.99 ? 88 ASN A C 1 +ATOM 814 O O . ASN A 1 88 ? -13.672 25.248 41.463 1.00 18.76 ? 88 ASN A O 1 +ATOM 815 C CB . ASN A 1 88 ? -13.058 22.196 40.973 1.00 13.34 ? 88 ASN A CB 1 +ATOM 816 C CG . ASN A 1 88 ? -11.616 22.288 40.736 1.00 15.62 ? 88 ASN A CG 1 +ATOM 817 O OD1 . ASN A 1 88 ? -11.175 22.298 39.595 1.00 18.50 ? 88 ASN A OD1 1 +ATOM 818 N ND2 . ASN A 1 88 ? -10.888 22.371 41.841 1.00 16.76 ? 88 ASN A ND2 1 +ATOM 819 H H . ASN A 1 88 ? -13.583 22.025 38.379 0.00 15.00 ? 88 ASN A H 1 +ATOM 820 H HD21 . ASN A 1 88 ? -9.883 22.366 41.813 0.00 15.00 ? 88 ASN A HD21 1 +ATOM 821 H HD22 . ASN A 1 88 ? -11.319 22.395 42.749 0.00 15.00 ? 88 ASN A HD22 1 +ATOM 822 N N . LEU A 1 89 ? -12.435 25.173 39.573 1.00 19.19 ? 89 LEU A N 1 +ATOM 823 C CA . LEU A 1 89 ? -11.898 26.508 39.822 1.00 16.05 ? 89 LEU A CA 1 +ATOM 824 C C . LEU A 1 89 ? -12.614 27.532 38.946 1.00 14.82 ? 89 LEU A C 1 +ATOM 825 O O . LEU A 1 89 ? -12.768 28.699 39.271 1.00 19.50 ? 89 LEU A O 1 +ATOM 826 C CB . LEU A 1 89 ? -10.380 26.460 39.590 1.00 14.20 ? 89 LEU A CB 1 +ATOM 827 C CG . LEU A 1 89 ? -9.470 26.373 40.868 1.00 22.48 ? 89 LEU A CG 1 +ATOM 828 C CD1 . LEU A 1 89 ? -10.057 25.654 42.090 1.00 21.09 ? 89 LEU A CD1 1 +ATOM 829 C CD2 . LEU A 1 89 ? -8.131 25.768 40.490 1.00 18.40 ? 89 LEU A CD2 1 +ATOM 830 H H . LEU A 1 89 ? -12.190 24.678 38.736 0.00 15.00 ? 89 LEU A H 1 +ATOM 831 N N . LEU A 1 90 ? -13.111 27.048 37.808 1.00 16.19 ? 90 LEU A N 1 +ATOM 832 C CA . LEU A 1 90 ? -13.831 27.935 36.886 1.00 14.65 ? 90 LEU A CA 1 +ATOM 833 C C . LEU A 1 90 ? -15.077 28.519 37.505 1.00 16.02 ? 90 LEU A C 1 +ATOM 834 O O . LEU A 1 90 ? -15.428 29.671 37.309 1.00 14.83 ? 90 LEU A O 1 +ATOM 835 C CB . LEU A 1 90 ? -14.176 27.223 35.559 1.00 12.48 ? 90 LEU A CB 1 +ATOM 836 C CG . LEU A 1 90 ? -12.962 26.877 34.678 1.00 11.18 ? 90 LEU A CG 1 +ATOM 837 C CD1 . LEU A 1 90 ? -13.511 26.208 33.432 1.00 11.96 ? 90 LEU A CD1 1 +ATOM 838 C CD2 . LEU A 1 90 ? -12.090 28.103 34.318 1.00 10.07 ? 90 LEU A CD2 1 +ATOM 839 H H . LEU A 1 90 ? -12.931 26.097 37.551 0.00 15.00 ? 90 LEU A H 1 +ATOM 840 N N . THR A 1 91 ? -15.745 27.702 38.308 1.00 20.45 ? 91 THR A N 1 +ATOM 841 C CA . THR A 1 91 ? -16.930 28.259 38.955 1.00 20.74 ? 91 THR A CA 1 +ATOM 842 C C . THR A 1 91 ? -16.603 29.369 39.933 1.00 23.56 ? 91 THR A C 1 +ATOM 843 O O . THR A 1 91 ? -17.356 30.329 40.103 1.00 27.80 ? 91 THR A O 1 +ATOM 844 C CB . THR A 1 91 ? -17.679 27.122 39.617 1.00 16.68 ? 91 THR A CB 1 +ATOM 845 O OG1 . THR A 1 91 ? -16.744 26.345 40.364 1.00 22.56 ? 91 THR A OG1 1 +ATOM 846 C CG2 . THR A 1 91 ? -18.269 26.243 38.534 1.00 16.64 ? 91 THR A CG2 1 +ATOM 847 H H . THR A 1 91 ? -15.489 26.750 38.489 0.00 15.00 ? 91 THR A H 1 +ATOM 848 H HG1 . THR A 1 91 ? -16.983 25.407 40.301 0.00 15.00 ? 91 THR A HG1 1 +ATOM 849 N N . GLN A 1 92 ? -15.418 29.227 40.550 1.00 23.89 ? 92 GLN A N 1 +ATOM 850 C CA . GLN A 1 92 ? -14.951 30.203 41.530 1.00 24.24 ? 92 GLN A CA 1 +ATOM 851 C C . GLN A 1 92 ? -14.559 31.542 41.020 1.00 26.85 ? 92 GLN A C 1 +ATOM 852 O O . GLN A 1 92 ? -14.709 32.556 41.686 1.00 29.74 ? 92 GLN A O 1 +ATOM 853 C CB . GLN A 1 92 ? -13.785 29.660 42.327 1.00 30.04 ? 92 GLN A CB 1 +ATOM 854 C CG . GLN A 1 92 ? -14.354 28.791 43.447 1.00 34.95 ? 92 GLN A CG 1 +ATOM 855 C CD . GLN A 1 92 ? -13.291 28.482 44.477 1.00 40.21 ? 92 GLN A CD 1 +ATOM 856 O OE1 . GLN A 1 92 ? -12.752 29.344 45.188 1.00 40.19 ? 92 GLN A OE1 1 +ATOM 857 N NE2 . GLN A 1 92 ? -12.994 27.181 44.517 1.00 45.03 ? 92 GLN A NE2 1 +ATOM 858 H H . GLN A 1 92 ? -14.873 28.412 40.360 0.00 15.00 ? 92 GLN A H 1 +ATOM 859 H HE21 . GLN A 1 92 ? -12.270 26.846 45.124 0.00 15.00 ? 92 GLN A HE21 1 +ATOM 860 H HE22 . GLN A 1 92 ? -13.502 26.523 43.961 0.00 15.00 ? 92 GLN A HE22 1 +ATOM 861 N N . ILE A 1 93 ? -14.057 31.563 39.799 1.00 27.94 ? 93 ILE A N 1 +ATOM 862 C CA . ILE A 1 93 ? -13.761 32.877 39.209 1.00 28.07 ? 93 ILE A CA 1 +ATOM 863 C C . ILE A 1 93 ? -14.925 33.400 38.382 1.00 25.87 ? 93 ILE A C 1 +ATOM 864 O O . ILE A 1 93 ? -14.845 34.392 37.683 1.00 29.05 ? 93 ILE A O 1 +ATOM 865 C CB . ILE A 1 93 ? -12.455 32.815 38.362 1.00 27.01 ? 93 ILE A CB 1 +ATOM 866 C CG1 . ILE A 1 93 ? -12.604 32.043 37.046 1.00 25.50 ? 93 ILE A CG1 1 +ATOM 867 C CG2 . ILE A 1 93 ? -11.320 32.267 39.228 1.00 31.04 ? 93 ILE A CG2 1 +ATOM 868 C CD1 . ILE A 1 93 ? -11.491 32.294 36.040 1.00 27.72 ? 93 ILE A CD1 1 +ATOM 869 H H . ILE A 1 93 ? -13.903 30.713 39.292 0.00 15.00 ? 93 ILE A H 1 +ATOM 870 N N . GLY A 1 94 ? -16.017 32.655 38.450 1.00 23.27 ? 94 GLY A N 1 +ATOM 871 C CA . GLY A 1 94 ? -17.229 33.039 37.764 1.00 20.81 ? 94 GLY A CA 1 +ATOM 872 C C . GLY A 1 94 ? -17.219 32.864 36.266 1.00 21.73 ? 94 GLY A C 1 +ATOM 873 O O . GLY A 1 94 ? -17.866 33.620 35.561 1.00 22.79 ? 94 GLY A O 1 +ATOM 874 H H . GLY A 1 94 ? -16.022 31.815 38.988 0.00 15.00 ? 94 GLY A H 1 +ATOM 875 N N . ALA A 1 95 ? -16.497 31.858 35.759 1.00 22.01 ? 95 ALA A N 1 +ATOM 876 C CA . ALA A 1 95 ? -16.487 31.727 34.299 1.00 19.78 ? 95 ALA A CA 1 +ATOM 877 C C . ALA A 1 95 ? -17.765 31.119 33.755 1.00 22.05 ? 95 ALA A C 1 +ATOM 878 O O . ALA A 1 95 ? -18.295 30.220 34.405 1.00 24.12 ? 95 ALA A O 1 +ATOM 879 C CB . ALA A 1 95 ? -15.282 30.885 33.846 1.00 20.22 ? 95 ALA A CB 1 +ATOM 880 H H . ALA A 1 95 ? -16.080 31.163 36.347 0.00 15.00 ? 95 ALA A H 1 +ATOM 881 N N . THR A 1 96 ? -18.241 31.614 32.593 1.00 21.59 ? 96 THR A N 1 +ATOM 882 C CA . THR A 1 96 ? -19.359 31.008 31.879 1.00 20.26 ? 96 THR A CA 1 +ATOM 883 C C . THR A 1 96 ? -19.072 30.826 30.416 1.00 18.13 ? 96 THR A C 1 +ATOM 884 O O . THR A 1 96 ? -18.178 31.417 29.821 1.00 19.17 ? 96 THR A O 1 +ATOM 885 C CB . THR A 1 96 ? -20.684 31.820 31.987 1.00 22.75 ? 96 THR A CB 1 +ATOM 886 O OG1 . THR A 1 96 ? -20.506 33.183 31.636 1.00 26.30 ? 96 THR A OG1 1 +ATOM 887 C CG2 . THR A 1 96 ? -21.312 31.779 33.361 1.00 27.04 ? 96 THR A CG2 1 +ATOM 888 H H . THR A 1 96 ? -17.795 32.399 32.159 0.00 15.00 ? 96 THR A H 1 +ATOM 889 H HG1 . THR A 1 96 ? -20.047 33.655 32.351 0.00 15.00 ? 96 THR A HG1 1 +ATOM 890 N N . LEU A 1 97 ? -19.911 29.971 29.859 1.00 19.31 ? 97 LEU A N 1 +ATOM 891 C CA . LEU A 1 97 ? -19.828 29.670 28.431 1.00 23.56 ? 97 LEU A CA 1 +ATOM 892 C C . LEU A 1 97 ? -21.037 30.274 27.793 1.00 22.41 ? 97 LEU A C 1 +ATOM 893 O O . LEU A 1 97 ? -22.109 30.234 28.360 1.00 24.40 ? 97 LEU A O 1 +ATOM 894 C CB . LEU A 1 97 ? -19.790 28.149 28.259 1.00 21.34 ? 97 LEU A CB 1 +ATOM 895 C CG . LEU A 1 97 ? -19.337 27.628 26.913 1.00 23.10 ? 97 LEU A CG 1 +ATOM 896 C CD1 . LEU A 1 97 ? -17.975 28.186 26.483 1.00 25.45 ? 97 LEU A CD1 1 +ATOM 897 C CD2 . LEU A 1 97 ? -19.274 26.124 27.070 1.00 24.71 ? 97 LEU A CD2 1 +ATOM 898 H H . LEU A 1 97 ? -20.630 29.528 30.400 0.00 15.00 ? 97 LEU A H 1 +ATOM 899 N N . ASN A 1 98 ? -20.843 30.899 26.668 1.00 24.22 ? 98 ASN A N 1 +ATOM 900 C CA . ASN A 1 98 ? -21.964 31.605 26.094 1.00 28.19 ? 98 ASN A CA 1 +ATOM 901 C C . ASN A 1 98 ? -21.987 31.297 24.656 1.00 27.28 ? 98 ASN A C 1 +ATOM 902 O O . ASN A 1 98 ? -20.952 31.333 24.015 1.00 26.99 ? 98 ASN A O 1 +ATOM 903 C CB . ASN A 1 98 ? -21.663 33.070 26.243 1.00 34.13 ? 98 ASN A CB 1 +ATOM 904 C CG . ASN A 1 98 ? -22.482 33.539 27.394 1.00 39.64 ? 98 ASN A CG 1 +ATOM 905 O OD1 . ASN A 1 98 ? -23.684 33.770 27.255 1.00 44.11 ? 98 ASN A OD1 1 +ATOM 906 N ND2 . ASN A 1 98 ? -21.822 33.622 28.555 1.00 39.06 ? 98 ASN A ND2 1 +ATOM 907 H H . ASN A 1 98 ? -19.944 30.928 26.222 0.00 15.00 ? 98 ASN A H 1 +ATOM 908 H HD21 . ASN A 1 98 ? -22.279 33.867 29.405 0.00 15.00 ? 98 ASN A HD21 1 +ATOM 909 H HD22 . ASN A 1 98 ? -20.845 33.419 28.603 0.00 15.00 ? 98 ASN A HD22 1 +ATOM 910 N N . PHE A 1 99 ? -23.156 30.983 24.157 1.00 29.49 ? 99 PHE A N 1 +ATOM 911 C CA . PHE A 1 99 ? -23.365 30.893 22.710 1.00 33.62 ? 99 PHE A CA 1 +ATOM 912 C C . PHE A 1 99 ? -24.791 31.341 22.441 1.00 35.23 ? 99 PHE A C 1 +ATOM 913 O O . PHE A 1 99 ? -25.148 31.629 21.311 1.00 37.09 ? 99 PHE A O 1 +ATOM 914 C CB . PHE A 1 99 ? -22.978 29.511 22.082 1.00 30.99 ? 99 PHE A CB 1 +ATOM 915 C CG . PHE A 1 99 ? -23.778 28.341 22.591 1.00 32.48 ? 99 PHE A CG 1 +ATOM 916 C CD1 . PHE A 1 99 ? -23.494 27.778 23.849 1.00 32.47 ? 99 PHE A CD1 1 +ATOM 917 C CD2 . PHE A 1 99 ? -24.829 27.819 21.796 1.00 33.47 ? 99 PHE A CD2 1 +ATOM 918 C CE1 . PHE A 1 99 ? -24.268 26.700 24.315 1.00 32.96 ? 99 PHE A CE1 1 +ATOM 919 C CE2 . PHE A 1 99 ? -25.607 26.733 22.251 1.00 30.00 ? 99 PHE A CE2 1 +ATOM 920 C CZ . PHE A 1 99 ? -25.320 26.179 23.516 1.00 32.58 ? 99 PHE A CZ 1 +ATOM 921 O OXT . PHE A 1 99 ? -25.553 31.460 23.396 1.00 38.50 ? 99 PHE A OXT 1 +ATOM 922 H H . PHE A 1 99 ? -23.971 30.912 24.732 0.00 15.00 ? 99 PHE A H 1 +ATOM 923 N N . PRO B 1 1 ? -27.333 30.585 24.814 1.00 40.21 ? 1 PRO B N 1 +ATOM 924 C CA . PRO B 1 1 ? -27.502 30.371 26.245 1.00 38.23 ? 1 PRO B CA 1 +ATOM 925 C C . PRO B 1 1 ? -26.178 30.651 26.864 1.00 37.14 ? 1 PRO B C 1 +ATOM 926 O O . PRO B 1 1 ? -25.162 30.565 26.200 1.00 36.59 ? 1 PRO B O 1 +ATOM 927 C CB . PRO B 1 1 ? -27.975 28.931 26.416 1.00 37.87 ? 1 PRO B CB 1 +ATOM 928 C CG . PRO B 1 1 ? -27.714 28.308 25.062 1.00 38.60 ? 1 PRO B CG 1 +ATOM 929 C CD . PRO B 1 1 ? -27.924 29.464 24.097 1.00 40.91 ? 1 PRO B CD 1 +ATOM 930 H H2 . PRO B 1 1 ? -27.699 31.510 24.504 0.00 15.00 ? 1 PRO B H2 1 +ATOM 931 H H3 . PRO B 1 1 ? -26.303 30.640 24.623 0.00 15.00 ? 1 PRO B H3 1 +ATOM 932 N N . GLN B 1 2 ? -26.273 31.007 28.130 1.00 39.33 ? 2 GLN B N 1 +ATOM 933 C CA . GLN B 1 2 ? -25.141 31.144 29.028 1.00 39.02 ? 2 GLN B CA 1 +ATOM 934 C C . GLN B 1 2 ? -25.131 29.927 29.926 1.00 36.95 ? 2 GLN B C 1 +ATOM 935 O O . GLN B 1 2 ? -26.119 29.577 30.554 1.00 35.95 ? 2 GLN B O 1 +ATOM 936 C CB . GLN B 1 2 ? -25.379 32.387 29.868 1.00 42.59 ? 2 GLN B CB 1 +ATOM 937 C CG . GLN B 1 2 ? -24.244 32.680 30.835 1.00 45.50 ? 2 GLN B CG 1 +ATOM 938 C CD . GLN B 1 2 ? -24.684 33.778 31.774 1.00 50.16 ? 2 GLN B CD 1 +ATOM 939 O OE1 . GLN B 1 2 ? -25.659 33.697 32.495 1.00 48.06 ? 2 GLN B OE1 1 +ATOM 940 N NE2 . GLN B 1 2 ? -23.930 34.852 31.764 1.00 54.65 ? 2 GLN B NE2 1 +ATOM 941 H H . GLN B 1 2 ? -27.177 31.075 28.559 0.00 15.00 ? 2 GLN B H 1 +ATOM 942 H HE21 . GLN B 1 2 ? -24.164 35.625 32.352 0.00 15.00 ? 2 GLN B HE21 1 +ATOM 943 H HE22 . GLN B 1 2 ? -23.132 34.939 31.174 0.00 15.00 ? 2 GLN B HE22 1 +ATOM 944 N N . VAL B 1 3 ? -24.004 29.264 29.934 1.00 34.11 ? 3 VAL B N 1 +ATOM 945 C CA . VAL B 1 3 ? -23.893 28.013 30.678 1.00 34.98 ? 3 VAL B CA 1 +ATOM 946 C C . VAL B 1 3 ? -22.934 28.286 31.844 1.00 33.58 ? 3 VAL B C 1 +ATOM 947 O O . VAL B 1 3 ? -21.797 28.706 31.645 1.00 33.76 ? 3 VAL B O 1 +ATOM 948 C CB . VAL B 1 3 ? -23.349 26.937 29.686 1.00 32.13 ? 3 VAL B CB 1 +ATOM 949 C CG1 . VAL B 1 3 ? -23.206 25.583 30.345 1.00 32.53 ? 3 VAL B CG1 1 +ATOM 950 C CG2 . VAL B 1 3 ? -24.204 26.759 28.423 1.00 33.94 ? 3 VAL B CG2 1 +ATOM 951 H H . VAL B 1 3 ? -23.204 29.624 29.457 0.00 15.00 ? 3 VAL B H 1 +ATOM 952 N N . THR B 1 4 ? -23.431 28.109 33.070 1.00 33.37 ? 4 THR B N 1 +ATOM 953 C CA . THR B 1 4 ? -22.545 28.205 34.230 1.00 29.94 ? 4 THR B CA 1 +ATOM 954 C C . THR B 1 4 ? -22.003 26.782 34.368 1.00 29.05 ? 4 THR B C 1 +ATOM 955 O O . THR B 1 4 ? -22.475 25.893 33.661 1.00 28.62 ? 4 THR B O 1 +ATOM 956 C CB . THR B 1 4 ? -23.305 28.695 35.501 1.00 29.58 ? 4 THR B CB 1 +ATOM 957 O OG1 . THR B 1 4 ? -24.403 27.818 35.703 1.00 32.07 ? 4 THR B OG1 1 +ATOM 958 C CG2 . THR B 1 4 ? -23.830 30.136 35.426 1.00 28.50 ? 4 THR B CG2 1 +ATOM 959 H H . THR B 1 4 ? -24.349 27.750 33.226 0.00 15.00 ? 4 THR B H 1 +ATOM 960 H HG1 . THR B 1 4 ? -24.960 28.172 36.408 0.00 15.00 ? 4 THR B HG1 1 +ATOM 961 N N . LEU B 1 5 ? -21.004 26.589 35.225 1.00 24.84 ? 5 LEU B N 1 +ATOM 962 C CA . LEU B 1 5 ? -20.206 25.364 35.109 1.00 22.37 ? 5 LEU B CA 1 +ATOM 963 C C . LEU B 1 5 ? -20.237 24.516 36.374 1.00 23.09 ? 5 LEU B C 1 +ATOM 964 O O . LEU B 1 5 ? -19.370 23.712 36.680 1.00 18.24 ? 5 LEU B O 1 +ATOM 965 C CB . LEU B 1 5 ? -18.747 25.763 34.781 1.00 20.28 ? 5 LEU B CB 1 +ATOM 966 C CG . LEU B 1 5 ? -18.667 26.478 33.449 1.00 20.53 ? 5 LEU B CG 1 +ATOM 967 C CD1 . LEU B 1 5 ? -17.342 27.204 33.294 1.00 19.29 ? 5 LEU B CD1 1 +ATOM 968 C CD2 . LEU B 1 5 ? -18.868 25.476 32.301 1.00 25.11 ? 5 LEU B CD2 1 +ATOM 969 H H . LEU B 1 5 ? -20.703 27.320 35.843 0.00 15.00 ? 5 LEU B H 1 +ATOM 970 N N . TRP B 1 6 ? -21.305 24.711 37.132 1.00 22.79 ? 6 TRP B N 1 +ATOM 971 C CA . TRP B 1 6 ? -21.538 23.865 38.296 1.00 21.79 ? 6 TRP B CA 1 +ATOM 972 C C . TRP B 1 6 ? -21.918 22.440 37.967 1.00 24.18 ? 6 TRP B C 1 +ATOM 973 O O . TRP B 1 6 ? -21.812 21.557 38.795 1.00 26.70 ? 6 TRP B O 1 +ATOM 974 C CB . TRP B 1 6 ? -22.676 24.460 39.099 1.00 23.14 ? 6 TRP B CB 1 +ATOM 975 C CG . TRP B 1 6 ? -22.288 25.835 39.516 1.00 18.34 ? 6 TRP B CG 1 +ATOM 976 C CD1 . TRP B 1 6 ? -22.618 27.027 38.880 1.00 19.69 ? 6 TRP B CD1 1 +ATOM 977 C CD2 . TRP B 1 6 ? -21.522 26.177 40.623 1.00 20.91 ? 6 TRP B CD2 1 +ATOM 978 N NE1 . TRP B 1 6 ? -22.112 28.122 39.524 1.00 23.38 ? 6 TRP B NE1 1 +ATOM 979 C CE2 . TRP B 1 6 ? -21.422 27.664 40.607 1.00 22.83 ? 6 TRP B CE2 1 +ATOM 980 C CE3 . TRP B 1 6 ? -20.909 25.438 41.637 1.00 23.29 ? 6 TRP B CE3 1 +ATOM 981 C CZ2 . TRP B 1 6 ? -20.713 28.310 41.616 1.00 23.56 ? 6 TRP B CZ2 1 +ATOM 982 C CZ3 . TRP B 1 6 ? -20.196 26.133 42.632 1.00 25.78 ? 6 TRP B CZ3 1 +ATOM 983 C CH2 . TRP B 1 6 ? -20.102 27.548 42.621 1.00 22.52 ? 6 TRP B CH2 1 +ATOM 984 H H . TRP B 1 6 ? -22.043 25.302 36.806 0.00 15.00 ? 6 TRP B H 1 +ATOM 985 H HE1 . TRP B 1 6 ? -22.241 29.061 39.262 0.00 15.00 ? 6 TRP B HE1 1 +ATOM 986 N N . GLN B 1 7 ? -22.356 22.220 36.747 1.00 27.65 ? 7 GLN B N 1 +ATOM 987 C CA . GLN B 1 7 ? -22.512 20.862 36.223 1.00 27.07 ? 7 GLN B CA 1 +ATOM 988 C C . GLN B 1 7 ? -21.757 20.765 34.899 1.00 24.51 ? 7 GLN B C 1 +ATOM 989 O O . GLN B 1 7 ? -21.432 21.784 34.320 1.00 21.09 ? 7 GLN B O 1 +ATOM 990 C CB . GLN B 1 7 ? -24.014 20.674 35.942 1.00 36.02 ? 7 GLN B CB 1 +ATOM 991 C CG . GLN B 1 7 ? -24.982 20.705 37.134 1.00 46.37 ? 7 GLN B CG 1 +ATOM 992 C CD . GLN B 1 7 ? -24.916 19.386 37.897 1.00 51.54 ? 7 GLN B CD 1 +ATOM 993 O OE1 . GLN B 1 7 ? -25.626 18.422 37.610 1.00 55.97 ? 7 GLN B OE1 1 +ATOM 994 N NE2 . GLN B 1 7 ? -24.030 19.375 38.897 1.00 53.58 ? 7 GLN B NE2 1 +ATOM 995 H H . GLN B 1 7 ? -22.528 22.979 36.117 0.00 15.00 ? 7 GLN B H 1 +ATOM 996 H HE21 . GLN B 1 7 ? -23.943 18.590 39.506 0.00 15.00 ? 7 GLN B HE21 1 +ATOM 997 H HE22 . GLN B 1 7 ? -23.442 20.173 39.070 0.00 15.00 ? 7 GLN B HE22 1 +ATOM 998 N N . ARG B 1 8 ? -21.532 19.541 34.395 1.00 22.84 ? 8 ARG B N 1 +ATOM 999 C CA . ARG B 1 8 ? -20.913 19.383 33.072 1.00 24.19 ? 8 ARG B CA 1 +ATOM 1000 C C . ARG B 1 8 ? -21.712 20.089 31.990 1.00 22.27 ? 8 ARG B C 1 +ATOM 1001 O O . ARG B 1 8 ? -22.931 19.955 31.988 1.00 22.68 ? 8 ARG B O 1 +ATOM 1002 C CB . ARG B 1 8 ? -20.864 17.916 32.707 1.00 26.64 ? 8 ARG B CB 1 +ATOM 1003 C CG . ARG B 1 8 ? -19.939 17.100 33.554 1.00 35.04 ? 8 ARG B CG 1 +ATOM 1004 C CD . ARG B 1 8 ? -19.865 15.718 32.923 1.00 42.72 ? 8 ARG B CD 1 +ATOM 1005 N NE . ARG B 1 8 ? -18.879 14.862 33.593 1.00 49.97 ? 8 ARG B NE 1 +ATOM 1006 C CZ . ARG B 1 8 ? -17.695 14.522 33.009 1.00 54.41 ? 8 ARG B CZ 1 +ATOM 1007 N NH1 . ARG B 1 8 ? -17.349 14.936 31.783 1.00 53.57 ? 8 ARG B NH1 1 +ATOM 1008 N NH2 . ARG B 1 8 ? -16.829 13.746 33.666 1.00 53.42 ? 8 ARG B NH2 1 +ATOM 1009 H H . ARG B 1 8 ? -21.773 18.731 34.936 0.00 15.00 ? 8 ARG B H 1 +ATOM 1010 H HE . ARG B 1 8 ? -19.082 14.531 34.514 0.00 15.00 ? 8 ARG B HE 1 +ATOM 1011 H HH11 . ARG B 1 8 ? -17.963 15.523 31.255 0.00 15.00 ? 8 ARG B HH11 1 +ATOM 1012 H HH12 . ARG B 1 8 ? -16.470 14.660 31.394 0.00 15.00 ? 8 ARG B HH12 1 +ATOM 1013 H HH21 . ARG B 1 8 ? -17.050 13.414 34.583 0.00 15.00 ? 8 ARG B HH21 1 +ATOM 1014 H HH22 . ARG B 1 8 ? -15.959 13.497 33.240 0.00 15.00 ? 8 ARG B HH22 1 +ATOM 1015 N N . PRO B 1 9 ? -21.045 20.866 31.112 1.00 16.42 ? 9 PRO B N 1 +ATOM 1016 C CA . PRO B 1 9 ? -21.798 21.571 30.076 1.00 15.79 ? 9 PRO B CA 1 +ATOM 1017 C C . PRO B 1 9 ? -22.084 20.642 28.903 1.00 16.52 ? 9 PRO B C 1 +ATOM 1018 O O . PRO B 1 9 ? -21.337 20.526 27.950 1.00 12.71 ? 9 PRO B O 1 +ATOM 1019 C CB . PRO B 1 9 ? -20.855 22.765 29.771 1.00 15.59 ? 9 PRO B CB 1 +ATOM 1020 C CG . PRO B 1 9 ? -19.466 22.154 29.931 1.00 13.95 ? 9 PRO B CG 1 +ATOM 1021 C CD . PRO B 1 9 ? -19.636 21.224 31.107 1.00 15.66 ? 9 PRO B CD 1 +ATOM 1022 N N . LEU B 1 10 ? -23.208 19.935 29.015 1.00 18.41 ? 10 LEU B N 1 +ATOM 1023 C CA . LEU B 1 10 ? -23.624 18.910 28.033 1.00 19.20 ? 10 LEU B CA 1 +ATOM 1024 C C . LEU B 1 10 ? -24.768 19.453 27.197 1.00 17.00 ? 10 LEU B C 1 +ATOM 1025 O O . LEU B 1 10 ? -25.659 20.120 27.713 1.00 19.95 ? 10 LEU B O 1 +ATOM 1026 C CB . LEU B 1 10 ? -24.128 17.753 28.862 1.00 16.15 ? 10 LEU B CB 1 +ATOM 1027 C CG . LEU B 1 10 ? -23.476 16.390 28.728 1.00 18.93 ? 10 LEU B CG 1 +ATOM 1028 C CD1 . LEU B 1 10 ? -21.967 16.304 28.770 1.00 19.88 ? 10 LEU B CD1 1 +ATOM 1029 C CD2 . LEU B 1 10 ? -24.046 15.679 29.924 1.00 23.81 ? 10 LEU B CD2 1 +ATOM 1030 H H . LEU B 1 10 ? -23.825 20.131 29.776 0.00 15.00 ? 10 LEU B H 1 +ATOM 1031 N N . VAL B 1 11 ? -24.727 19.190 25.901 1.00 16.49 ? 11 VAL B N 1 +ATOM 1032 C CA . VAL B 1 11 ? -25.824 19.605 25.042 1.00 15.84 ? 11 VAL B CA 1 +ATOM 1033 C C . VAL B 1 11 ? -26.226 18.468 24.119 1.00 18.32 ? 11 VAL B C 1 +ATOM 1034 O O . VAL B 1 11 ? -25.488 17.508 23.934 1.00 17.15 ? 11 VAL B O 1 +ATOM 1035 C CB . VAL B 1 11 ? -25.397 20.819 24.209 1.00 16.20 ? 11 VAL B CB 1 +ATOM 1036 C CG1 . VAL B 1 11 ? -25.344 22.093 25.020 1.00 20.41 ? 11 VAL B CG1 1 +ATOM 1037 C CG2 . VAL B 1 11 ? -24.080 20.536 23.505 1.00 22.48 ? 11 VAL B CG2 1 +ATOM 1038 H H . VAL B 1 11 ? -23.960 18.675 25.508 0.00 15.00 ? 11 VAL B H 1 +ATOM 1039 N N . THR B 1 12 ? -27.401 18.615 23.558 1.00 16.92 ? 12 THR B N 1 +ATOM 1040 C CA . THR B 1 12 ? -27.914 17.606 22.629 1.00 19.34 ? 12 THR B CA 1 +ATOM 1041 C C . THR B 1 12 ? -27.439 17.895 21.213 1.00 21.41 ? 12 THR B C 1 +ATOM 1042 O O . THR B 1 12 ? -27.555 19.024 20.746 1.00 22.88 ? 12 THR B O 1 +ATOM 1043 C CB . THR B 1 12 ? -29.481 17.582 22.729 1.00 17.75 ? 12 THR B CB 1 +ATOM 1044 O OG1 . THR B 1 12 ? -29.878 17.235 24.071 1.00 24.48 ? 12 THR B OG1 1 +ATOM 1045 C CG2 . THR B 1 12 ? -30.118 16.517 21.828 1.00 24.47 ? 12 THR B CG2 1 +ATOM 1046 H H . THR B 1 12 ? -28.006 19.382 23.774 0.00 15.00 ? 12 THR B H 1 +ATOM 1047 H HG1 . THR B 1 12 ? -30.819 17.419 24.200 0.00 15.00 ? 12 THR B HG1 1 +ATOM 1048 N N . ILE B 1 13 ? -26.859 16.894 20.545 1.00 19.67 ? 13 ILE B N 1 +ATOM 1049 C CA . ILE B 1 13 ? -26.437 17.158 19.175 1.00 21.76 ? 13 ILE B CA 1 +ATOM 1050 C C . ILE B 1 13 ? -27.136 16.200 18.244 1.00 23.66 ? 13 ILE B C 1 +ATOM 1051 O O . ILE B 1 13 ? -27.537 15.129 18.655 1.00 17.07 ? 13 ILE B O 1 +ATOM 1052 C CB . ILE B 1 13 ? -24.924 17.042 19.015 1.00 22.01 ? 13 ILE B CB 1 +ATOM 1053 C CG1 . ILE B 1 13 ? -24.450 15.616 19.293 1.00 21.55 ? 13 ILE B CG1 1 +ATOM 1054 C CG2 . ILE B 1 13 ? -24.244 18.124 19.880 1.00 23.24 ? 13 ILE B CG2 1 +ATOM 1055 C CD1 . ILE B 1 13 ? -23.084 15.273 18.741 1.00 24.44 ? 13 ILE B CD1 1 +ATOM 1056 H H . ILE B 1 13 ? -26.796 15.974 20.930 0.00 15.00 ? 13 ILE B H 1 +ATOM 1057 N N . LYS B 1 14 ? -27.300 16.605 16.994 1.00 21.36 ? 14 LYS B N 1 +ATOM 1058 C CA . LYS B 1 14 ? -27.807 15.652 16.030 1.00 20.67 ? 14 LYS B CA 1 +ATOM 1059 C C . LYS B 1 14 ? -26.778 15.548 14.956 1.00 21.06 ? 14 LYS B C 1 +ATOM 1060 O O . LYS B 1 14 ? -26.359 16.544 14.376 1.00 19.61 ? 14 LYS B O 1 +ATOM 1061 C CB . LYS B 1 14 ? -29.133 16.164 15.456 1.00 23.48 ? 14 LYS B CB 1 +ATOM 1062 C CG . LYS B 1 14 ? -29.740 15.213 14.422 1.00 24.48 ? 14 LYS B CG 1 +ATOM 1063 C CD . LYS B 1 14 ? -31.123 15.687 13.958 1.00 31.77 ? 14 LYS B CD 1 +ATOM 1064 C CE . LYS B 1 14 ? -31.795 14.704 12.973 1.00 37.09 ? 14 LYS B CE 1 +ATOM 1065 N NZ . LYS B 1 14 ? -32.989 15.351 12.405 1.00 35.41 ? 14 LYS B NZ 1 +ATOM 1066 H H . LYS B 1 14 ? -27.008 17.523 16.721 0.00 15.00 ? 14 LYS B H 1 +ATOM 1067 H HZ1 . LYS B 1 14 ? -32.712 16.236 11.935 0.00 15.00 ? 14 LYS B HZ1 1 +ATOM 1068 H HZ2 . LYS B 1 14 ? -33.435 14.715 11.714 0.00 15.00 ? 14 LYS B HZ2 1 +ATOM 1069 H HZ3 . LYS B 1 14 ? -33.664 15.561 13.169 0.00 15.00 ? 14 LYS B HZ3 1 +ATOM 1070 N N . ILE B 1 15 ? -26.362 14.319 14.721 1.00 23.62 ? 15 ILE B N 1 +ATOM 1071 C CA . ILE B 1 15 ? -25.344 14.034 13.733 1.00 22.86 ? 15 ILE B CA 1 +ATOM 1072 C C . ILE B 1 15 ? -25.658 12.712 13.044 1.00 23.08 ? 15 ILE B C 1 +ATOM 1073 O O . ILE B 1 15 ? -25.977 11.711 13.645 1.00 21.67 ? 15 ILE B O 1 +ATOM 1074 C CB . ILE B 1 15 ? -23.987 13.966 14.476 1.00 26.70 ? 15 ILE B CB 1 +ATOM 1075 C CG1 . ILE B 1 15 ? -22.859 13.729 13.433 1.00 29.17 ? 15 ILE B CG1 1 +ATOM 1076 C CG2 . ILE B 1 15 ? -23.987 12.947 15.656 1.00 22.08 ? 15 ILE B CG2 1 +ATOM 1077 C CD1 . ILE B 1 15 ? -21.459 13.534 14.015 1.00 28.38 ? 15 ILE B CD1 1 +ATOM 1078 H H . ILE B 1 15 ? -26.781 13.546 15.210 0.00 15.00 ? 15 ILE B H 1 +ATOM 1079 N N . GLY B 1 16 ? -25.594 12.706 11.739 1.00 25.40 ? 16 GLY B N 1 +ATOM 1080 C CA . GLY B 1 16 ? -25.850 11.493 10.971 1.00 23.85 ? 16 GLY B CA 1 +ATOM 1081 C C . GLY B 1 16 ? -27.210 10.893 11.248 1.00 24.54 ? 16 GLY B C 1 +ATOM 1082 O O . GLY B 1 16 ? -27.320 9.690 11.408 1.00 26.89 ? 16 GLY B O 1 +ATOM 1083 H H . GLY B 1 16 ? -25.382 13.551 11.259 0.00 15.00 ? 16 GLY B H 1 +ATOM 1084 N N . GLY B 1 17 ? -28.220 11.757 11.359 1.00 24.85 ? 17 GLY B N 1 +ATOM 1085 C CA . GLY B 1 17 ? -29.530 11.295 11.768 1.00 21.59 ? 17 GLY B CA 1 +ATOM 1086 C C . GLY B 1 17 ? -29.702 10.759 13.192 1.00 20.83 ? 17 GLY B C 1 +ATOM 1087 O O . GLY B 1 17 ? -30.797 10.386 13.556 1.00 24.30 ? 17 GLY B O 1 +ATOM 1088 H H . GLY B 1 17 ? -28.082 12.735 11.186 0.00 15.00 ? 17 GLY B H 1 +ATOM 1089 N N . GLN B 1 18 ? -28.646 10.696 14.005 1.00 20.95 ? 18 GLN B N 1 +ATOM 1090 C CA . GLN B 1 18 ? -28.792 10.180 15.365 1.00 18.84 ? 18 GLN B CA 1 +ATOM 1091 C C . GLN B 1 18 ? -28.756 11.302 16.350 1.00 18.53 ? 18 GLN B C 1 +ATOM 1092 O O . GLN B 1 18 ? -28.207 12.362 16.056 1.00 18.02 ? 18 GLN B O 1 +ATOM 1093 C CB . GLN B 1 18 ? -27.633 9.234 15.656 1.00 20.48 ? 18 GLN B CB 1 +ATOM 1094 C CG . GLN B 1 18 ? -27.676 8.151 14.606 1.00 24.29 ? 18 GLN B CG 1 +ATOM 1095 C CD . GLN B 1 18 ? -26.356 7.443 14.499 1.00 25.72 ? 18 GLN B CD 1 +ATOM 1096 O OE1 . GLN B 1 18 ? -25.925 6.716 15.377 1.00 27.99 ? 18 GLN B OE1 1 +ATOM 1097 N NE2 . GLN B 1 18 ? -25.726 7.647 13.351 1.00 27.63 ? 18 GLN B NE2 1 +ATOM 1098 H H . GLN B 1 18 ? -27.756 11.069 13.733 0.00 15.00 ? 18 GLN B H 1 +ATOM 1099 H HE21 . GLN B 1 18 ? -24.858 7.199 13.134 0.00 15.00 ? 18 GLN B HE21 1 +ATOM 1100 H HE22 . GLN B 1 18 ? -26.125 8.284 12.688 0.00 15.00 ? 18 GLN B HE22 1 +ATOM 1101 N N . LEU B 1 19 ? -29.340 11.051 17.510 1.00 17.49 ? 19 LEU B N 1 +ATOM 1102 C CA . LEU B 1 19 ? -29.266 12.052 18.568 1.00 16.24 ? 19 LEU B CA 1 +ATOM 1103 C C . LEU B 1 19 ? -28.339 11.587 19.681 1.00 19.05 ? 19 LEU B C 1 +ATOM 1104 O O . LEU B 1 19 ? -28.325 10.432 20.059 1.00 19.65 ? 19 LEU B O 1 +ATOM 1105 C CB . LEU B 1 19 ? -30.633 12.278 19.189 1.00 15.43 ? 19 LEU B CB 1 +ATOM 1106 C CG . LEU B 1 19 ? -31.782 12.527 18.198 1.00 17.30 ? 19 LEU B CG 1 +ATOM 1107 C CD1 . LEU B 1 19 ? -33.121 12.613 18.944 1.00 10.64 ? 19 LEU B CD1 1 +ATOM 1108 C CD2 . LEU B 1 19 ? -31.560 13.803 17.364 1.00 17.08 ? 19 LEU B CD2 1 +ATOM 1109 H H . LEU B 1 19 ? -29.780 10.172 17.700 0.00 15.00 ? 19 LEU B H 1 +ATOM 1110 N N . LYS B 1 20 ? -27.513 12.507 20.170 1.00 19.95 ? 20 LYS B N 1 +ATOM 1111 C CA . LYS B 1 20 ? -26.390 12.239 21.090 1.00 18.28 ? 20 LYS B CA 1 +ATOM 1112 C C . LYS B 1 20 ? -26.272 13.434 22.037 1.00 18.66 ? 20 LYS B C 1 +ATOM 1113 O O . LYS B 1 20 ? -26.728 14.516 21.725 1.00 17.90 ? 20 LYS B O 1 +ATOM 1114 C CB . LYS B 1 20 ? -25.103 12.172 20.240 1.00 20.05 ? 20 LYS B CB 1 +ATOM 1115 C CG . LYS B 1 20 ? -24.614 10.750 20.060 1.00 22.25 ? 20 LYS B CG 1 +ATOM 1116 C CD . LYS B 1 20 ? -24.475 10.235 18.639 1.00 21.71 ? 20 LYS B CD 1 +ATOM 1117 C CE . LYS B 1 20 ? -23.733 8.890 18.705 1.00 20.49 ? 20 LYS B CE 1 +ATOM 1118 N NZ . LYS B 1 20 ? -24.521 7.891 19.471 1.00 26.68 ? 20 LYS B NZ 1 +ATOM 1119 H H . LYS B 1 20 ? -27.608 13.463 19.875 0.00 15.00 ? 20 LYS B H 1 +ATOM 1120 H HZ1 . LYS B 1 20 ? -25.458 7.788 19.031 0.00 15.00 ? 20 LYS B HZ1 1 +ATOM 1121 H HZ2 . LYS B 1 20 ? -24.029 6.974 19.454 0.00 15.00 ? 20 LYS B HZ2 1 +ATOM 1122 H HZ3 . LYS B 1 20 ? -24.633 8.203 20.456 0.00 15.00 ? 20 LYS B HZ3 1 +ATOM 1123 N N . GLU B 1 21 ? -25.667 13.244 23.200 1.00 19.07 ? 21 GLU B N 1 +ATOM 1124 C CA . GLU B 1 21 ? -25.325 14.410 24.016 1.00 20.72 ? 21 GLU B CA 1 +ATOM 1125 C C . GLU B 1 21 ? -23.812 14.494 23.998 1.00 19.28 ? 21 GLU B C 1 +ATOM 1126 O O . GLU B 1 21 ? -23.158 13.455 23.879 1.00 19.99 ? 21 GLU B O 1 +ATOM 1127 C CB . GLU B 1 21 ? -25.807 14.159 25.453 1.00 24.73 ? 21 GLU B CB 1 +ATOM 1128 C CG . GLU B 1 21 ? -27.224 14.656 25.640 1.00 33.52 ? 21 GLU B CG 1 +ATOM 1129 C CD . GLU B 1 21 ? -27.586 14.548 27.088 1.00 40.98 ? 21 GLU B CD 1 +ATOM 1130 O OE1 . GLU B 1 21 ? -27.812 13.422 27.538 1.00 41.33 ? 21 GLU B OE1 1 +ATOM 1131 O OE2 . GLU B 1 21 ? -27.645 15.587 27.752 1.00 42.26 ? 21 GLU B OE2 1 +ATOM 1132 H H . GLU B 1 21 ? -25.326 12.341 23.473 0.00 15.00 ? 21 GLU B H 1 +ATOM 1133 N N . ALA B 1 22 ? -23.278 15.710 24.092 1.00 17.20 ? 22 ALA B N 1 +ATOM 1134 C CA . ALA B 1 22 ? -21.827 15.821 23.996 1.00 15.43 ? 22 ALA B CA 1 +ATOM 1135 C C . ALA B 1 22 ? -21.337 16.887 24.930 1.00 14.05 ? 22 ALA B C 1 +ATOM 1136 O O . ALA B 1 22 ? -22.074 17.783 25.266 1.00 13.11 ? 22 ALA B O 1 +ATOM 1137 C CB . ALA B 1 22 ? -21.401 16.078 22.554 1.00 16.39 ? 22 ALA B CB 1 +ATOM 1138 H H . ALA B 1 22 ? -23.855 16.528 24.170 0.00 15.00 ? 22 ALA B H 1 +ATOM 1139 N N . LEU B 1 23 ? -20.123 16.769 25.413 1.00 15.07 ? 23 LEU B N 1 +ATOM 1140 C CA . LEU B 1 23 ? -19.576 17.748 26.336 1.00 15.25 ? 23 LEU B CA 1 +ATOM 1141 C C . LEU B 1 23 ? -18.985 18.924 25.575 1.00 15.81 ? 23 LEU B C 1 +ATOM 1142 O O . LEU B 1 23 ? -18.175 18.789 24.657 1.00 18.92 ? 23 LEU B O 1 +ATOM 1143 C CB . LEU B 1 23 ? -18.558 16.938 27.119 1.00 16.75 ? 23 LEU B CB 1 +ATOM 1144 C CG . LEU B 1 23 ? -17.734 17.593 28.214 1.00 19.10 ? 23 LEU B CG 1 +ATOM 1145 C CD1 . LEU B 1 23 ? -18.597 17.910 29.435 1.00 20.35 ? 23 LEU B CD1 1 +ATOM 1146 C CD2 . LEU B 1 23 ? -16.560 16.664 28.549 1.00 18.14 ? 23 LEU B CD2 1 +ATOM 1147 H H . LEU B 1 23 ? -19.520 16.047 25.080 0.00 15.00 ? 23 LEU B H 1 +ATOM 1148 N N . LEU B 1 24 ? -19.419 20.124 25.939 1.00 12.30 ? 24 LEU B N 1 +ATOM 1149 C CA . LEU B 1 24 ? -18.739 21.300 25.365 1.00 16.69 ? 24 LEU B CA 1 +ATOM 1150 C C . LEU B 1 24 ? -17.396 21.560 26.065 1.00 17.20 ? 24 LEU B C 1 +ATOM 1151 O O . LEU B 1 24 ? -17.294 21.857 27.271 1.00 15.37 ? 24 LEU B O 1 +ATOM 1152 C CB . LEU B 1 24 ? -19.569 22.606 25.498 1.00 14.29 ? 24 LEU B CB 1 +ATOM 1153 C CG . LEU B 1 24 ? -20.986 22.597 24.891 1.00 15.23 ? 24 LEU B CG 1 +ATOM 1154 C CD1 . LEU B 1 24 ? -21.793 23.757 25.527 1.00 17.12 ? 24 LEU B CD1 1 +ATOM 1155 C CD2 . LEU B 1 24 ? -20.977 22.545 23.360 1.00 13.51 ? 24 LEU B CD2 1 +ATOM 1156 H H . LEU B 1 24 ? -20.084 20.233 26.682 0.00 15.00 ? 24 LEU B H 1 +ATOM 1157 N N . ASP B 1 25 ? -16.357 21.401 25.238 1.00 13.98 ? 25 ASP B N 1 +ATOM 1158 C CA . ASP B 1 25 ? -15.015 21.323 25.785 1.00 13.68 ? 25 ASP B CA 1 +ATOM 1159 C C . ASP B 1 25 ? -14.050 22.354 25.193 1.00 14.34 ? 25 ASP B C 1 +ATOM 1160 O O . ASP B 1 25 ? -13.474 22.158 24.153 1.00 12.92 ? 25 ASP B O 1 +ATOM 1161 C CB . ASP B 1 25 ? -14.565 19.906 25.445 1.00 14.81 ? 25 ASP B CB 1 +ATOM 1162 C CG . ASP B 1 25 ? -13.381 19.447 26.270 1.00 17.08 ? 25 ASP B CG 1 +ATOM 1163 O OD1 . ASP B 1 25 ? -12.664 20.263 26.828 1.00 21.76 ? 25 ASP B OD1 1 +ATOM 1164 O OD2 . ASP B 1 25 ? -13.176 18.246 26.384 1.00 23.51 ? 25 ASP B OD2 1 +ATOM 1165 H H . ASP B 1 25 ? -16.480 21.269 24.248 0.00 15.00 ? 25 ASP B H 1 +ATOM 1166 N N . THR B 1 26 ? -13.792 23.437 25.919 1.00 16.25 ? 26 THR B N 1 +ATOM 1167 C CA . THR B 1 26 ? -12.825 24.449 25.443 1.00 15.93 ? 26 THR B CA 1 +ATOM 1168 C C . THR B 1 26 ? -11.346 24.029 25.443 1.00 14.69 ? 26 THR B C 1 +ATOM 1169 O O . THR B 1 26 ? -10.439 24.626 24.867 1.00 18.54 ? 26 THR B O 1 +ATOM 1170 C CB . THR B 1 26 ? -13.059 25.739 26.284 1.00 15.99 ? 26 THR B CB 1 +ATOM 1171 O OG1 . THR B 1 26 ? -12.836 25.482 27.676 1.00 17.66 ? 26 THR B OG1 1 +ATOM 1172 C CG2 . THR B 1 26 ? -14.477 26.344 26.130 1.00 14.74 ? 26 THR B CG2 1 +ATOM 1173 H H . THR B 1 26 ? -14.281 23.637 26.771 0.00 15.00 ? 26 THR B H 1 +ATOM 1174 H HG1 . THR B 1 26 ? -12.027 25.956 27.938 0.00 15.00 ? 26 THR B HG1 1 +ATOM 1175 N N . GLY B 1 27 ? -11.103 22.934 26.144 1.00 13.79 ? 27 GLY B N 1 +ATOM 1176 C CA . GLY B 1 27 ? -9.730 22.452 26.205 1.00 12.27 ? 27 GLY B CA 1 +ATOM 1177 C C . GLY B 1 27 ? -9.334 21.684 25.001 1.00 15.01 ? 27 GLY B C 1 +ATOM 1178 O O . GLY B 1 27 ? -8.164 21.467 24.804 1.00 16.32 ? 27 GLY B O 1 +ATOM 1179 H H . GLY B 1 27 ? -11.861 22.427 26.539 0.00 15.00 ? 27 GLY B H 1 +ATOM 1180 N N . ALA B 1 28 ? -10.327 21.222 24.226 1.00 16.08 ? 28 ALA B N 1 +ATOM 1181 C CA . ALA B 1 28 ? -10.132 20.225 23.176 1.00 13.99 ? 28 ALA B CA 1 +ATOM 1182 C C . ALA B 1 28 ? -10.093 20.927 21.869 1.00 13.50 ? 28 ALA B C 1 +ATOM 1183 O O . ALA B 1 28 ? -10.959 21.711 21.514 1.00 15.47 ? 28 ALA B O 1 +ATOM 1184 C CB . ALA B 1 28 ? -11.297 19.242 23.099 1.00 13.99 ? 28 ALA B CB 1 +ATOM 1185 H H . ALA B 1 28 ? -11.239 21.633 24.257 0.00 15.00 ? 28 ALA B H 1 +ATOM 1186 N N . ASP B 1 29 ? -9.030 20.654 21.136 1.00 16.02 ? 29 ASP B N 1 +ATOM 1187 C CA . ASP B 1 29 ? -8.935 21.401 19.909 1.00 18.40 ? 29 ASP B CA 1 +ATOM 1188 C C . ASP B 1 29 ? -9.916 20.942 18.870 1.00 18.44 ? 29 ASP B C 1 +ATOM 1189 O O . ASP B 1 29 ? -10.317 21.722 18.033 1.00 19.81 ? 29 ASP B O 1 +ATOM 1190 C CB . ASP B 1 29 ? -7.549 21.334 19.299 1.00 22.89 ? 29 ASP B CB 1 +ATOM 1191 C CG . ASP B 1 29 ? -6.443 21.727 20.241 1.00 28.50 ? 29 ASP B CG 1 +ATOM 1192 O OD1 . ASP B 1 29 ? -6.654 22.512 21.174 1.00 29.19 ? 29 ASP B OD1 1 +ATOM 1193 O OD2 . ASP B 1 29 ? -5.352 21.208 20.008 1.00 32.67 ? 29 ASP B OD2 1 +ATOM 1194 H H . ASP B 1 29 ? -8.300 20.057 21.475 0.00 15.00 ? 29 ASP B H 1 +ATOM 1195 N N . ASP B 1 30 ? -10.298 19.673 18.934 1.00 19.22 ? 30 ASP B N 1 +ATOM 1196 C CA . ASP B 1 30 ? -11.183 19.121 17.924 1.00 22.95 ? 30 ASP B CA 1 +ATOM 1197 C C . ASP B 1 30 ? -12.260 18.331 18.573 1.00 20.21 ? 30 ASP B C 1 +ATOM 1198 O O . ASP B 1 30 ? -12.274 18.208 19.781 1.00 22.16 ? 30 ASP B O 1 +ATOM 1199 C CB . ASP B 1 30 ? -10.426 18.239 16.952 1.00 28.16 ? 30 ASP B CB 1 +ATOM 1200 C CG . ASP B 1 30 ? -9.671 19.089 15.944 1.00 32.69 ? 30 ASP B CG 1 +ATOM 1201 O OD1 . ASP B 1 30 ? -10.287 19.827 15.158 1.00 36.81 ? 30 ASP B OD1 1 +ATOM 1202 O OD2 . ASP B 1 30 ? -8.440 19.003 15.958 1.00 39.23 ? 30 ASP B OD2 1 +ATOM 1203 H H . ASP B 1 30 ? -10.023 19.079 19.689 0.00 15.00 ? 30 ASP B H 1 +ATOM 1204 N N . THR B 1 31 ? -13.175 17.861 17.742 1.00 20.13 ? 31 THR B N 1 +ATOM 1205 C CA . THR B 1 31 ? -14.367 17.158 18.194 1.00 16.14 ? 31 THR B CA 1 +ATOM 1206 C C . THR B 1 31 ? -14.119 15.665 18.055 1.00 14.77 ? 31 THR B C 1 +ATOM 1207 O O . THR B 1 31 ? -13.661 15.263 17.005 1.00 19.18 ? 31 THR B O 1 +ATOM 1208 C CB . THR B 1 31 ? -15.503 17.651 17.292 1.00 15.14 ? 31 THR B CB 1 +ATOM 1209 O OG1 . THR B 1 31 ? -15.739 19.030 17.591 1.00 15.16 ? 31 THR B OG1 1 +ATOM 1210 C CG2 . THR B 1 31 ? -16.830 16.875 17.419 1.00 11.89 ? 31 THR B CG2 1 +ATOM 1211 H H . THR B 1 31 ? -13.003 17.891 16.758 0.00 15.00 ? 31 THR B H 1 +ATOM 1212 H HG1 . THR B 1 31 ? -16.597 19.255 17.212 0.00 15.00 ? 31 THR B HG1 1 +ATOM 1213 N N . VAL B 1 32 ? -14.386 14.871 19.079 1.00 16.30 ? 32 VAL B N 1 +ATOM 1214 C CA . VAL B 1 32 ? -14.211 13.414 19.052 1.00 17.63 ? 32 VAL B CA 1 +ATOM 1215 C C . VAL B 1 32 ? -15.505 12.703 19.510 1.00 21.14 ? 32 VAL B C 1 +ATOM 1216 O O . VAL B 1 32 ? -15.946 12.867 20.640 1.00 21.21 ? 32 VAL B O 1 +ATOM 1217 C CB . VAL B 1 32 ? -13.176 12.927 20.080 1.00 19.94 ? 32 VAL B CB 1 +ATOM 1218 C CG1 . VAL B 1 32 ? -12.760 11.497 19.697 1.00 15.73 ? 32 VAL B CG1 1 +ATOM 1219 C CG2 . VAL B 1 32 ? -12.002 13.893 20.353 1.00 21.53 ? 32 VAL B CG2 1 +ATOM 1220 H H . VAL B 1 32 ? -14.807 15.260 19.901 0.00 15.00 ? 32 VAL B H 1 +ATOM 1221 N N . LEU B 1 33 ? -16.107 11.917 18.652 1.00 21.22 ? 33 LEU B N 1 +ATOM 1222 C CA . LEU B 1 33 ? -17.333 11.249 19.071 1.00 25.10 ? 33 LEU B CA 1 +ATOM 1223 C C . LEU B 1 33 ? -17.022 9.823 19.345 1.00 26.94 ? 33 LEU B C 1 +ATOM 1224 O O . LEU B 1 33 ? -16.095 9.259 18.785 1.00 25.04 ? 33 LEU B O 1 +ATOM 1225 C CB . LEU B 1 33 ? -18.420 11.298 17.972 1.00 24.11 ? 33 LEU B CB 1 +ATOM 1226 C CG . LEU B 1 33 ? -19.196 12.634 17.766 1.00 26.70 ? 33 LEU B CG 1 +ATOM 1227 C CD1 . LEU B 1 33 ? -19.519 13.401 19.042 1.00 27.78 ? 33 LEU B CD1 1 +ATOM 1228 C CD2 . LEU B 1 33 ? -18.442 13.602 16.909 1.00 27.72 ? 33 LEU B CD2 1 +ATOM 1229 H H . LEU B 1 33 ? -15.696 11.705 17.762 0.00 15.00 ? 33 LEU B H 1 +ATOM 1230 N N . GLU B 1 34 ? -17.831 9.246 20.217 1.00 32.75 ? 34 GLU B N 1 +ATOM 1231 C CA . GLU B 1 34 ? -17.723 7.813 20.413 1.00 37.05 ? 34 GLU B CA 1 +ATOM 1232 C C . GLU B 1 34 ? -18.042 7.114 19.123 1.00 40.97 ? 34 GLU B C 1 +ATOM 1233 O O . GLU B 1 34 ? -18.680 7.667 18.246 1.00 39.11 ? 34 GLU B O 1 +ATOM 1234 C CB . GLU B 1 34 ? -18.707 7.302 21.461 1.00 40.76 ? 34 GLU B CB 1 +ATOM 1235 C CG . GLU B 1 34 ? -18.196 6.206 22.461 1.00 47.54 ? 34 GLU B CG 1 +ATOM 1236 C CD . GLU B 1 34 ? -17.362 5.008 21.896 1.00 53.51 ? 34 GLU B CD 1 +ATOM 1237 O OE1 . GLU B 1 34 ? -16.129 5.142 21.766 1.00 53.24 ? 34 GLU B OE1 1 +ATOM 1238 O OE2 . GLU B 1 34 ? -17.930 3.932 21.618 1.00 53.91 ? 34 GLU B OE2 1 +ATOM 1239 H H . GLU B 1 34 ? -18.583 9.763 20.628 0.00 15.00 ? 34 GLU B H 1 +ATOM 1240 N N . GLU B 1 35 ? -17.589 5.875 19.024 1.00 42.73 ? 35 GLU B N 1 +ATOM 1241 C CA . GLU B 1 35 ? -17.965 5.057 17.887 1.00 46.88 ? 35 GLU B CA 1 +ATOM 1242 C C . GLU B 1 35 ? -19.457 5.067 17.620 1.00 45.98 ? 35 GLU B C 1 +ATOM 1243 O O . GLU B 1 35 ? -20.349 4.831 18.432 1.00 48.09 ? 35 GLU B O 1 +ATOM 1244 C CB . GLU B 1 35 ? -17.354 3.646 18.022 1.00 49.28 ? 35 GLU B CB 1 +ATOM 1245 C CG . GLU B 1 35 ? -15.995 3.529 17.297 1.00 52.86 ? 35 GLU B CG 1 +ATOM 1246 C CD . GLU B 1 35 ? -16.195 3.516 15.776 1.00 56.40 ? 35 GLU B CD 1 +ATOM 1247 O OE1 . GLU B 1 35 ? -17.068 2.798 15.294 1.00 53.25 ? 35 GLU B OE1 1 +ATOM 1248 O OE2 . GLU B 1 35 ? -15.482 4.220 15.057 1.00 61.00 ? 35 GLU B OE2 1 +ATOM 1249 H H . GLU B 1 35 ? -17.015 5.503 19.750 0.00 15.00 ? 35 GLU B H 1 +ATOM 1250 N N . MET B 1 36 ? -19.658 5.440 16.390 1.00 45.01 ? 36 MET B N 1 +ATOM 1251 C CA . MET B 1 36 ? -20.951 5.724 15.833 1.00 47.51 ? 36 MET B CA 1 +ATOM 1252 C C . MET B 1 36 ? -20.646 5.510 14.384 1.00 47.23 ? 36 MET B C 1 +ATOM 1253 O O . MET B 1 36 ? -19.478 5.559 14.005 1.00 47.21 ? 36 MET B O 1 +ATOM 1254 C CB . MET B 1 36 ? -21.211 7.180 16.158 1.00 46.21 ? 36 MET B CB 1 +ATOM 1255 C CG . MET B 1 36 ? -22.319 7.921 15.465 1.00 44.32 ? 36 MET B CG 1 +ATOM 1256 S SD . MET B 1 36 ? -21.820 9.618 15.693 1.00 42.16 ? 36 MET B SD 1 +ATOM 1257 C CE . MET B 1 36 ? -20.303 9.518 14.775 1.00 39.05 ? 36 MET B CE 1 +ATOM 1258 H H . MET B 1 36 ? -18.896 5.586 15.755 0.00 15.00 ? 36 MET B H 1 +ATOM 1259 N N . SER B 1 37 ? -21.693 5.213 13.613 1.00 48.85 ? 37 SER B N 1 +ATOM 1260 C CA . SER B 1 37 ? -21.547 4.930 12.189 1.00 49.63 ? 37 SER B CA 1 +ATOM 1261 C C . SER B 1 37 ? -22.159 6.054 11.426 1.00 50.57 ? 37 SER B C 1 +ATOM 1262 O O . SER B 1 37 ? -23.275 6.508 11.670 1.00 50.18 ? 37 SER B O 1 +ATOM 1263 C CB . SER B 1 37 ? -22.231 3.616 11.821 1.00 51.11 ? 37 SER B CB 1 +ATOM 1264 O OG . SER B 1 37 ? -21.711 2.541 12.636 1.00 60.50 ? 37 SER B OG 1 +ATOM 1265 H H . SER B 1 37 ? -22.614 5.147 13.996 0.00 15.00 ? 37 SER B H 1 +ATOM 1266 H HG . SER B 1 37 ? -20.757 2.444 12.492 0.00 15.00 ? 37 SER B HG 1 +ATOM 1267 N N . LEU B 1 38 ? -21.279 6.537 10.573 1.00 50.56 ? 38 LEU B N 1 +ATOM 1268 C CA . LEU B 1 38 ? -21.336 7.880 10.047 1.00 52.06 ? 38 LEU B CA 1 +ATOM 1269 C C . LEU B 1 38 ? -20.821 7.662 8.655 1.00 55.80 ? 38 LEU B C 1 +ATOM 1270 O O . LEU B 1 38 ? -19.866 6.919 8.463 1.00 55.16 ? 38 LEU B O 1 +ATOM 1271 C CB . LEU B 1 38 ? -20.361 8.738 10.871 1.00 52.63 ? 38 LEU B CB 1 +ATOM 1272 C CG . LEU B 1 38 ? -20.431 10.253 10.706 1.00 53.66 ? 38 LEU B CG 1 +ATOM 1273 C CD1 . LEU B 1 38 ? -21.801 10.767 11.144 1.00 49.22 ? 38 LEU B CD1 1 +ATOM 1274 C CD2 . LEU B 1 38 ? -19.259 10.903 11.470 1.00 54.53 ? 38 LEU B CD2 1 +ATOM 1275 H H . LEU B 1 38 ? -20.467 6.013 10.305 0.00 15.00 ? 38 LEU B H 1 +ATOM 1276 N N . PRO B 1 39 ? -21.560 8.223 7.713 1.00 57.91 ? 39 PRO B N 1 +ATOM 1277 C CA . PRO B 1 39 ? -21.296 7.827 6.333 1.00 61.05 ? 39 PRO B CA 1 +ATOM 1278 C C . PRO B 1 39 ? -20.099 8.511 5.684 1.00 62.07 ? 39 PRO B C 1 +ATOM 1279 O O . PRO B 1 39 ? -19.903 9.715 5.761 1.00 63.78 ? 39 PRO B O 1 +ATOM 1280 C CB . PRO B 1 39 ? -22.658 8.155 5.698 1.00 58.07 ? 39 PRO B CB 1 +ATOM 1281 C CG . PRO B 1 39 ? -23.216 9.351 6.479 1.00 60.00 ? 39 PRO B CG 1 +ATOM 1282 C CD . PRO B 1 39 ? -22.728 9.092 7.886 1.00 60.76 ? 39 PRO B CD 1 +ATOM 1283 N N . GLY B 1 40 ? -19.322 7.699 4.984 1.00 65.41 ? 40 GLY B N 1 +ATOM 1284 C CA . GLY B 1 40 ? -18.361 8.292 4.058 1.00 68.45 ? 40 GLY B CA 1 +ATOM 1285 C C . GLY B 1 40 ? -16.981 7.643 4.014 1.00 69.58 ? 40 GLY B C 1 +ATOM 1286 O O . GLY B 1 40 ? -16.772 6.439 4.136 1.00 71.52 ? 40 GLY B O 1 +ATOM 1287 H H . GLY B 1 40 ? -19.491 6.709 4.994 0.00 15.00 ? 40 GLY B H 1 +ATOM 1288 N N . ARG B 1 41 ? -16.018 8.515 3.780 1.00 67.66 ? 41 ARG B N 1 +ATOM 1289 C CA . ARG B 1 41 ? -14.641 8.074 3.596 1.00 68.86 ? 41 ARG B CA 1 +ATOM 1290 C C . ARG B 1 41 ? -13.911 8.815 4.677 1.00 66.45 ? 41 ARG B C 1 +ATOM 1291 O O . ARG B 1 41 ? -14.388 9.861 5.104 1.00 67.23 ? 41 ARG B O 1 +ATOM 1292 C CB . ARG B 1 41 ? -14.151 8.544 2.200 1.00 72.77 ? 41 ARG B CB 1 +ATOM 1293 C CG . ARG B 1 41 ? -14.193 7.556 0.993 1.00 82.54 ? 41 ARG B CG 1 +ATOM 1294 C CD . ARG B 1 41 ? -15.510 6.834 0.588 1.00 86.24 ? 41 ARG B CD 1 +ATOM 1295 N NE . ARG B 1 41 ? -16.615 7.727 0.206 1.00 87.69 ? 41 ARG B NE 1 +ATOM 1296 C CZ . ARG B 1 41 ? -17.892 7.327 0.361 1.00 94.55 ? 41 ARG B CZ 1 +ATOM 1297 N NH1 . ARG B 1 41 ? -18.213 6.106 0.807 1.00 91.31 ? 41 ARG B NH1 1 +ATOM 1298 N NH2 . ARG B 1 41 ? -18.878 8.173 0.076 1.00 94.68 ? 41 ARG B NH2 1 +ATOM 1299 H H . ARG B 1 41 ? -16.175 9.500 3.856 0.00 15.00 ? 41 ARG B H 1 +ATOM 1300 H HE . ARG B 1 41 ? -16.415 8.634 -0.166 0.00 15.00 ? 41 ARG B HE 1 +ATOM 1301 H HH11 . ARG B 1 41 ? -17.498 5.445 1.034 0.00 15.00 ? 41 ARG B HH11 1 +ATOM 1302 H HH12 . ARG B 1 41 ? -19.174 5.854 0.914 0.00 15.00 ? 41 ARG B HH12 1 +ATOM 1303 H HH21 . ARG B 1 41 ? -18.671 9.092 -0.257 0.00 15.00 ? 41 ARG B HH21 1 +ATOM 1304 H HH22 . ARG B 1 41 ? -19.829 7.887 0.195 0.00 15.00 ? 41 ARG B HH22 1 +ATOM 1305 N N . TRP B 1 42 ? -12.793 8.235 5.110 1.00 64.31 ? 42 TRP B N 1 +ATOM 1306 C CA . TRP B 1 42 ? -12.017 8.764 6.238 1.00 61.25 ? 42 TRP B CA 1 +ATOM 1307 C C . TRP B 1 42 ? -10.546 8.350 6.240 1.00 61.32 ? 42 TRP B C 1 +ATOM 1308 O O . TRP B 1 42 ? -10.093 7.452 5.534 1.00 60.48 ? 42 TRP B O 1 +ATOM 1309 C CB . TRP B 1 42 ? -12.683 8.380 7.578 1.00 59.91 ? 42 TRP B CB 1 +ATOM 1310 C CG . TRP B 1 42 ? -12.848 6.891 7.739 1.00 59.10 ? 42 TRP B CG 1 +ATOM 1311 C CD1 . TRP B 1 42 ? -14.034 6.153 7.543 1.00 58.59 ? 42 TRP B CD1 1 +ATOM 1312 C CD2 . TRP B 1 42 ? -11.867 5.963 8.120 1.00 58.62 ? 42 TRP B CD2 1 +ATOM 1313 N NE1 . TRP B 1 42 ? -13.869 4.822 7.784 1.00 56.21 ? 42 TRP B NE1 1 +ATOM 1314 C CE2 . TRP B 1 42 ? -12.554 4.634 8.147 1.00 58.68 ? 42 TRP B CE2 1 +ATOM 1315 C CE3 . TRP B 1 42 ? -10.502 6.058 8.439 1.00 56.58 ? 42 TRP B CE3 1 +ATOM 1316 C CZ2 . TRP B 1 42 ? -11.805 3.492 8.494 1.00 58.91 ? 42 TRP B CZ2 1 +ATOM 1317 C CZ3 . TRP B 1 42 ? -9.793 4.893 8.775 1.00 58.72 ? 42 TRP B CZ3 1 +ATOM 1318 C CH2 . TRP B 1 42 ? -10.432 3.631 8.804 1.00 59.14 ? 42 TRP B CH2 1 +ATOM 1319 H H . TRP B 1 42 ? -12.428 7.422 4.654 0.00 15.00 ? 42 TRP B H 1 +ATOM 1320 H HE1 . TRP B 1 42 ? -14.561 4.130 7.719 0.00 15.00 ? 42 TRP B HE1 1 +ATOM 1321 N N . LYS B 1 43 ? -9.809 9.053 7.087 1.00 61.44 ? 43 LYS B N 1 +ATOM 1322 C CA . LYS B 1 43 ? -8.384 8.791 7.318 1.00 59.91 ? 43 LYS B CA 1 +ATOM 1323 C C . LYS B 1 43 ? -8.210 8.451 8.791 1.00 58.66 ? 43 LYS B C 1 +ATOM 1324 O O . LYS B 1 43 ? -9.030 8.869 9.593 1.00 57.66 ? 43 LYS B O 1 +ATOM 1325 C CB . LYS B 1 43 ? -7.638 10.094 7.035 1.00 59.26 ? 43 LYS B CB 1 +ATOM 1326 C CG . LYS B 1 43 ? -7.909 10.688 5.656 1.00 58.29 ? 43 LYS B CG 1 +ATOM 1327 C CD . LYS B 1 43 ? -7.321 12.101 5.573 1.00 65.05 ? 43 LYS B CD 1 +ATOM 1328 C CE . LYS B 1 43 ? -7.438 12.784 4.196 1.00 68.55 ? 43 LYS B CE 1 +ATOM 1329 N NZ . LYS B 1 43 ? -6.581 12.121 3.180 1.00 67.74 ? 43 LYS B NZ 1 +ATOM 1330 H H . LYS B 1 43 ? -10.256 9.760 7.640 0.00 15.00 ? 43 LYS B H 1 +ATOM 1331 H HZ1 . LYS B 1 43 ? -5.591 12.143 3.498 0.00 15.00 ? 43 LYS B HZ1 1 +ATOM 1332 H HZ2 . LYS B 1 43 ? -6.884 11.134 3.061 0.00 15.00 ? 43 LYS B HZ2 1 +ATOM 1333 H HZ3 . LYS B 1 43 ? -6.665 12.623 2.274 0.00 15.00 ? 43 LYS B HZ3 1 +ATOM 1334 N N . PRO B 1 44 ? -7.169 7.704 9.133 1.00 59.05 ? 44 PRO B N 1 +ATOM 1335 C CA . PRO B 1 44 ? -6.813 7.545 10.551 1.00 57.57 ? 44 PRO B CA 1 +ATOM 1336 C C . PRO B 1 44 ? -5.864 8.639 11.002 1.00 54.45 ? 44 PRO B C 1 +ATOM 1337 O O . PRO B 1 44 ? -5.125 9.217 10.221 1.00 52.67 ? 44 PRO B O 1 +ATOM 1338 C CB . PRO B 1 44 ? -6.141 6.183 10.526 1.00 59.82 ? 44 PRO B CB 1 +ATOM 1339 C CG . PRO B 1 44 ? -5.402 6.150 9.185 1.00 60.05 ? 44 PRO B CG 1 +ATOM 1340 C CD . PRO B 1 44 ? -6.288 6.961 8.239 1.00 60.32 ? 44 PRO B CD 1 +ATOM 1341 N N . LYS B 1 45 ? -5.940 8.931 12.281 1.00 50.95 ? 45 LYS B N 1 +ATOM 1342 C CA . LYS B 1 45 ? -5.221 10.037 12.884 1.00 48.71 ? 45 LYS B CA 1 +ATOM 1343 C C . LYS B 1 45 ? -5.069 9.538 14.298 1.00 48.93 ? 45 LYS B C 1 +ATOM 1344 O O . LYS B 1 45 ? -5.741 8.592 14.688 1.00 50.16 ? 45 LYS B O 1 +ATOM 1345 C CB . LYS B 1 45 ? -6.188 11.214 12.809 1.00 48.42 ? 45 LYS B CB 1 +ATOM 1346 C CG . LYS B 1 45 ? -5.723 12.639 13.088 1.00 51.42 ? 45 LYS B CG 1 +ATOM 1347 C CD . LYS B 1 45 ? -5.137 13.363 11.860 1.00 54.63 ? 45 LYS B CD 1 +ATOM 1348 C CE . LYS B 1 45 ? -4.979 14.872 12.107 1.00 54.04 ? 45 LYS B CE 1 +ATOM 1349 N NZ . LYS B 1 45 ? -4.508 15.539 10.885 1.00 51.80 ? 45 LYS B NZ 1 +ATOM 1350 H H . LYS B 1 45 ? -6.540 8.408 12.895 0.00 15.00 ? 45 LYS B H 1 +ATOM 1351 H HZ1 . LYS B 1 45 ? -5.196 15.384 10.121 0.00 15.00 ? 45 LYS B HZ1 1 +ATOM 1352 H HZ2 . LYS B 1 45 ? -4.411 16.559 11.062 0.00 15.00 ? 45 LYS B HZ2 1 +ATOM 1353 H HZ3 . LYS B 1 45 ? -3.586 15.147 10.607 0.00 15.00 ? 45 LYS B HZ3 1 +ATOM 1354 N N . MET B 1 46 ? -4.204 10.143 15.071 1.00 47.94 ? 46 MET B N 1 +ATOM 1355 C CA . MET B 1 46 ? -3.948 9.668 16.436 1.00 45.88 ? 46 MET B CA 1 +ATOM 1356 C C . MET B 1 46 ? -4.091 10.897 17.252 1.00 41.83 ? 46 MET B C 1 +ATOM 1357 O O . MET B 1 46 ? -3.532 11.918 16.875 1.00 39.43 ? 46 MET B O 1 +ATOM 1358 C CB . MET B 1 46 ? -2.469 9.289 16.553 1.00 51.90 ? 46 MET B CB 1 +ATOM 1359 C CG . MET B 1 46 ? -2.092 8.247 17.585 1.00 59.15 ? 46 MET B CG 1 +ATOM 1360 S SD . MET B 1 46 ? -2.444 6.587 17.011 1.00 64.19 ? 46 MET B SD 1 +ATOM 1361 C CE . MET B 1 46 ? -1.549 6.632 15.449 1.00 70.07 ? 46 MET B CE 1 +ATOM 1362 H H . MET B 1 46 ? -3.696 10.945 14.758 0.00 15.00 ? 46 MET B H 1 +ATOM 1363 N N . ILE B 1 47 ? -4.840 10.832 18.331 1.00 37.13 ? 47 ILE B N 1 +ATOM 1364 C CA . ILE B 1 47 ? -4.897 12.060 19.141 1.00 33.92 ? 47 ILE B CA 1 +ATOM 1365 C C . ILE B 1 47 ? -4.410 11.800 20.538 1.00 30.53 ? 47 ILE B C 1 +ATOM 1366 O O . ILE B 1 47 ? -4.573 10.710 21.070 1.00 31.07 ? 47 ILE B O 1 +ATOM 1367 C CB . ILE B 1 47 ? -6.316 12.686 19.186 1.00 34.13 ? 47 ILE B CB 1 +ATOM 1368 C CG1 . ILE B 1 47 ? -7.378 11.691 19.623 1.00 34.34 ? 47 ILE B CG1 1 +ATOM 1369 C CG2 . ILE B 1 47 ? -6.711 13.293 17.843 1.00 34.38 ? 47 ILE B CG2 1 +ATOM 1370 C CD1 . ILE B 1 47 ? -8.631 12.354 20.176 1.00 34.46 ? 47 ILE B CD1 1 +ATOM 1371 H H . ILE B 1 47 ? -5.261 9.969 18.627 0.00 15.00 ? 47 ILE B H 1 +ATOM 1372 N N . GLY B 1 48 ? -3.797 12.796 21.138 1.00 28.51 ? 48 GLY B N 1 +ATOM 1373 C CA . GLY B 1 48 ? -3.338 12.506 22.487 1.00 28.18 ? 48 GLY B CA 1 +ATOM 1374 C C . GLY B 1 48 ? -4.092 13.254 23.577 1.00 29.33 ? 48 GLY B C 1 +ATOM 1375 O O . GLY B 1 48 ? -4.408 14.421 23.411 1.00 31.75 ? 48 GLY B O 1 +ATOM 1376 H H . GLY B 1 48 ? -3.709 13.708 20.731 0.00 15.00 ? 48 GLY B H 1 +ATOM 1377 N N . GLY B 1 49 ? -4.371 12.563 24.695 1.00 28.66 ? 49 GLY B N 1 +ATOM 1378 C CA . GLY B 1 49 ? -5.003 13.205 25.840 1.00 29.86 ? 49 GLY B CA 1 +ATOM 1379 C C . GLY B 1 49 ? -4.153 13.058 27.076 1.00 29.54 ? 49 GLY B C 1 +ATOM 1380 O O . GLY B 1 49 ? -3.023 12.613 27.050 1.00 27.93 ? 49 GLY B O 1 +ATOM 1381 H H . GLY B 1 49 ? -4.124 11.593 24.756 0.00 15.00 ? 49 GLY B H 1 +ATOM 1382 N N . ILE B 1 50 ? -4.786 13.348 28.187 1.00 29.90 ? 50 ILE B N 1 +ATOM 1383 C CA . ILE B 1 50 ? -4.434 12.636 29.397 1.00 32.26 ? 50 ILE B CA 1 +ATOM 1384 C C . ILE B 1 50 ? -4.622 11.117 29.291 1.00 36.25 ? 50 ILE B C 1 +ATOM 1385 O O . ILE B 1 50 ? -5.592 10.523 28.798 1.00 35.97 ? 50 ILE B O 1 +ATOM 1386 C CB . ILE B 1 50 ? -5.228 13.278 30.530 1.00 33.22 ? 50 ILE B CB 1 +ATOM 1387 C CG1 . ILE B 1 50 ? -4.522 14.602 30.812 1.00 29.49 ? 50 ILE B CG1 1 +ATOM 1388 C CG2 . ILE B 1 50 ? -5.317 12.436 31.806 1.00 34.83 ? 50 ILE B CG2 1 +ATOM 1389 C CD1 . ILE B 1 50 ? -5.071 15.310 32.039 1.00 35.98 ? 50 ILE B CD1 1 +ATOM 1390 H H . ILE B 1 50 ? -5.614 13.900 28.156 0.00 15.00 ? 50 ILE B H 1 +ATOM 1391 N N . GLY B 1 51 ? -3.534 10.525 29.717 1.00 37.37 ? 51 GLY B N 1 +ATOM 1392 C CA . GLY B 1 51 ? -3.433 9.090 29.573 1.00 41.56 ? 51 GLY B CA 1 +ATOM 1393 C C . GLY B 1 51 ? -2.692 8.646 28.325 1.00 42.42 ? 51 GLY B C 1 +ATOM 1394 O O . GLY B 1 51 ? -2.132 7.563 28.272 1.00 43.82 ? 51 GLY B O 1 +ATOM 1395 H H . GLY B 1 51 ? -2.741 11.048 30.048 0.00 15.00 ? 51 GLY B H 1 +ATOM 1396 N N . GLY B 1 52 ? -2.706 9.481 27.308 1.00 41.92 ? 52 GLY B N 1 +ATOM 1397 C CA . GLY B 1 52 ? -2.164 8.951 26.069 1.00 42.34 ? 52 GLY B CA 1 +ATOM 1398 C C . GLY B 1 52 ? -3.167 8.986 24.956 1.00 40.76 ? 52 GLY B C 1 +ATOM 1399 O O . GLY B 1 52 ? -4.048 9.820 24.951 1.00 41.64 ? 52 GLY B O 1 +ATOM 1400 H H . GLY B 1 52 ? -3.102 10.397 27.348 0.00 15.00 ? 52 GLY B H 1 +ATOM 1401 N N . PHE B 1 53 ? -2.973 8.111 24.001 1.00 39.28 ? 53 PHE B N 1 +ATOM 1402 C CA . PHE B 1 53 ? -3.424 8.410 22.663 1.00 40.40 ? 53 PHE B CA 1 +ATOM 1403 C C . PHE B 1 53 ? -4.345 7.363 22.108 1.00 38.76 ? 53 PHE B C 1 +ATOM 1404 O O . PHE B 1 53 ? -4.253 6.194 22.436 1.00 40.49 ? 53 PHE B O 1 +ATOM 1405 C CB . PHE B 1 53 ? -2.196 8.552 21.764 1.00 40.85 ? 53 PHE B CB 1 +ATOM 1406 C CG . PHE B 1 53 ? -1.404 7.270 21.689 1.00 47.22 ? 53 PHE B CG 1 +ATOM 1407 C CD1 . PHE B 1 53 ? -0.458 6.947 22.697 1.00 54.35 ? 53 PHE B CD1 1 +ATOM 1408 C CD2 . PHE B 1 53 ? -1.612 6.379 20.610 1.00 50.10 ? 53 PHE B CD2 1 +ATOM 1409 C CE1 . PHE B 1 53 ? 0.278 5.736 22.631 1.00 50.92 ? 53 PHE B CE1 1 +ATOM 1410 C CE2 . PHE B 1 53 ? -0.871 5.172 20.544 1.00 50.33 ? 53 PHE B CE2 1 +ATOM 1411 C CZ . PHE B 1 53 ? 0.071 4.852 21.553 1.00 53.05 ? 53 PHE B CZ 1 +ATOM 1412 H H . PHE B 1 53 ? -2.493 7.249 24.160 0.00 15.00 ? 53 PHE B H 1 +ATOM 1413 N N . ILE B 1 54 ? -5.232 7.803 21.245 1.00 37.77 ? 54 ILE B N 1 +ATOM 1414 C CA . ILE B 1 54 ? -6.162 6.858 20.640 1.00 34.07 ? 54 ILE B CA 1 +ATOM 1415 C C . ILE B 1 54 ? -6.096 7.069 19.144 1.00 33.48 ? 54 ILE B C 1 +ATOM 1416 O O . ILE B 1 54 ? -5.701 8.133 18.684 1.00 30.77 ? 54 ILE B O 1 +ATOM 1417 C CB . ILE B 1 54 ? -7.599 7.085 21.188 1.00 32.19 ? 54 ILE B CB 1 +ATOM 1418 C CG1 . ILE B 1 54 ? -8.150 8.486 20.968 1.00 29.93 ? 54 ILE B CG1 1 +ATOM 1419 C CG2 . ILE B 1 54 ? -7.672 6.764 22.664 1.00 31.14 ? 54 ILE B CG2 1 +ATOM 1420 C CD1 . ILE B 1 54 ? -9.671 8.487 21.139 1.00 29.70 ? 54 ILE B CD1 1 +ATOM 1421 H H . ILE B 1 54 ? -5.240 8.770 20.978 0.00 15.00 ? 54 ILE B H 1 +ATOM 1422 N N . LYS B 1 55 ? -6.444 6.020 18.393 1.00 34.13 ? 55 LYS B N 1 +ATOM 1423 C CA . LYS B 1 55 ? -6.435 6.214 16.937 1.00 35.55 ? 55 LYS B CA 1 +ATOM 1424 C C . LYS B 1 55 ? -7.834 6.587 16.613 1.00 31.90 ? 55 LYS B C 1 +ATOM 1425 O O . LYS B 1 55 ? -8.730 5.979 17.165 1.00 32.51 ? 55 LYS B O 1 +ATOM 1426 C CB . LYS B 1 55 ? -6.128 4.912 16.188 1.00 40.39 ? 55 LYS B CB 1 +ATOM 1427 C CG . LYS B 1 55 ? -4.735 4.318 16.443 1.00 47.64 ? 55 LYS B CG 1 +ATOM 1428 C CD . LYS B 1 55 ? -4.606 2.870 15.899 1.00 56.84 ? 55 LYS B CD 1 +ATOM 1429 C CE . LYS B 1 55 ? -3.240 2.133 16.066 1.00 60.53 ? 55 LYS B CE 1 +ATOM 1430 N NZ . LYS B 1 55 ? -3.276 0.714 15.614 1.00 59.21 ? 55 LYS B NZ 1 +ATOM 1431 H H . LYS B 1 55 ? -6.878 5.213 18.783 0.00 15.00 ? 55 LYS B H 1 +ATOM 1432 H HZ1 . LYS B 1 55 ? -4.013 0.203 16.139 0.00 15.00 ? 55 LYS B HZ1 1 +ATOM 1433 H HZ2 . LYS B 1 55 ? -3.489 0.680 14.596 0.00 15.00 ? 55 LYS B HZ2 1 +ATOM 1434 H HZ3 . LYS B 1 55 ? -2.353 0.269 15.791 0.00 15.00 ? 55 LYS B HZ3 1 +ATOM 1435 N N . VAL B 1 56 ? -8.013 7.576 15.787 1.00 29.62 ? 56 VAL B N 1 +ATOM 1436 C CA . VAL B 1 56 ? -9.384 8.012 15.485 1.00 30.42 ? 56 VAL B CA 1 +ATOM 1437 C C . VAL B 1 56 ? -9.565 7.977 13.988 1.00 31.89 ? 56 VAL B C 1 +ATOM 1438 O O . VAL B 1 56 ? -8.586 8.061 13.251 1.00 33.25 ? 56 VAL B O 1 +ATOM 1439 C CB . VAL B 1 56 ? -9.666 9.460 16.005 1.00 27.00 ? 56 VAL B CB 1 +ATOM 1440 C CG1 . VAL B 1 56 ? -9.775 9.527 17.533 1.00 28.59 ? 56 VAL B CG1 1 +ATOM 1441 C CG2 . VAL B 1 56 ? -8.653 10.484 15.544 1.00 28.30 ? 56 VAL B CG2 1 +ATOM 1442 H H . VAL B 1 56 ? -7.241 7.991 15.302 0.00 15.00 ? 56 VAL B H 1 +ATOM 1443 N N . ARG B 1 57 ? -10.803 7.872 13.535 1.00 33.77 ? 57 ARG B N 1 +ATOM 1444 C CA . ARG B 1 57 ? -10.949 8.106 12.109 1.00 34.05 ? 57 ARG B CA 1 +ATOM 1445 C C . ARG B 1 57 ? -11.527 9.467 11.896 1.00 32.29 ? 57 ARG B C 1 +ATOM 1446 O O . ARG B 1 57 ? -12.344 9.967 12.645 1.00 33.82 ? 57 ARG B O 1 +ATOM 1447 C CB . ARG B 1 57 ? -11.666 6.936 11.395 1.00 35.66 ? 57 ARG B CB 1 +ATOM 1448 C CG . ARG B 1 57 ? -13.071 6.488 11.783 1.00 43.70 ? 57 ARG B CG 1 +ATOM 1449 C CD . ARG B 1 57 ? -13.194 5.074 12.383 1.00 48.12 ? 57 ARG B CD 1 +ATOM 1450 N NE . ARG B 1 57 ? -12.570 5.023 13.720 1.00 54.53 ? 57 ARG B NE 1 +ATOM 1451 C CZ . ARG B 1 57 ? -12.447 3.905 14.474 1.00 56.19 ? 57 ARG B CZ 1 +ATOM 1452 N NH1 . ARG B 1 57 ? -12.993 2.729 14.127 1.00 58.10 ? 57 ARG B NH1 1 +ATOM 1453 N NH2 . ARG B 1 57 ? -11.743 3.969 15.603 1.00 57.88 ? 57 ARG B NH2 1 +ATOM 1454 H H . ARG B 1 57 ? -11.587 7.777 14.150 0.00 15.00 ? 57 ARG B H 1 +ATOM 1455 H HE . ARG B 1 57 ? -12.175 5.874 14.067 0.00 15.00 ? 57 ARG B HE 1 +ATOM 1456 H HH11 . ARG B 1 57 ? -13.523 2.651 13.283 0.00 15.00 ? 57 ARG B HH11 1 +ATOM 1457 H HH12 . ARG B 1 57 ? -12.868 1.929 14.714 0.00 15.00 ? 57 ARG B HH12 1 +ATOM 1458 H HH21 . ARG B 1 57 ? -11.328 4.835 15.882 0.00 15.00 ? 57 ARG B HH21 1 +ATOM 1459 H HH22 . ARG B 1 57 ? -11.631 3.154 16.171 0.00 15.00 ? 57 ARG B HH22 1 +ATOM 1460 N N . GLN B 1 58 ? -11.017 10.101 10.890 1.00 34.23 ? 58 GLN B N 1 +ATOM 1461 C CA . GLN B 1 58 ? -11.519 11.418 10.690 1.00 32.77 ? 58 GLN B CA 1 +ATOM 1462 C C . GLN B 1 58 ? -12.188 11.685 9.392 1.00 33.72 ? 58 GLN B C 1 +ATOM 1463 O O . GLN B 1 58 ? -11.798 11.253 8.318 1.00 33.10 ? 58 GLN B O 1 +ATOM 1464 C CB . GLN B 1 58 ? -10.446 12.413 10.971 1.00 36.11 ? 58 GLN B CB 1 +ATOM 1465 C CG . GLN B 1 58 ? -9.224 12.470 10.125 1.00 36.66 ? 58 GLN B CG 1 +ATOM 1466 C CD . GLN B 1 58 ? -9.027 13.955 10.093 1.00 43.65 ? 58 GLN B CD 1 +ATOM 1467 O OE1 . GLN B 1 58 ? -9.572 14.682 9.283 1.00 45.04 ? 58 GLN B OE1 1 +ATOM 1468 N NE2 . GLN B 1 58 ? -8.298 14.439 11.079 1.00 44.39 ? 58 GLN B NE2 1 +ATOM 1469 H H . GLN B 1 58 ? -10.333 9.687 10.289 0.00 15.00 ? 58 GLN B H 1 +ATOM 1470 H HE21 . GLN B 1 58 ? -8.255 15.425 11.264 0.00 15.00 ? 58 GLN B HE21 1 +ATOM 1471 H HE22 . GLN B 1 58 ? -7.783 13.839 11.685 0.00 15.00 ? 58 GLN B HE22 1 +ATOM 1472 N N . TYR B 1 59 ? -13.287 12.393 9.590 1.00 37.13 ? 59 TYR B N 1 +ATOM 1473 C CA . TYR B 1 59 ? -14.240 12.687 8.533 1.00 35.76 ? 59 TYR B CA 1 +ATOM 1474 C C . TYR B 1 59 ? -14.322 14.154 8.533 1.00 37.40 ? 59 TYR B C 1 +ATOM 1475 O O . TYR B 1 59 ? -14.417 14.784 9.576 1.00 32.77 ? 59 TYR B O 1 +ATOM 1476 C CB . TYR B 1 59 ? -15.644 12.230 8.899 1.00 35.55 ? 59 TYR B CB 1 +ATOM 1477 C CG . TYR B 1 59 ? -15.756 10.740 9.102 1.00 38.29 ? 59 TYR B CG 1 +ATOM 1478 C CD1 . TYR B 1 59 ? -15.145 10.161 10.236 1.00 35.94 ? 59 TYR B CD1 1 +ATOM 1479 C CD2 . TYR B 1 59 ? -16.512 9.945 8.197 1.00 40.92 ? 59 TYR B CD2 1 +ATOM 1480 C CE1 . TYR B 1 59 ? -15.303 8.785 10.473 1.00 40.44 ? 59 TYR B CE1 1 +ATOM 1481 C CE2 . TYR B 1 59 ? -16.665 8.555 8.438 1.00 40.06 ? 59 TYR B CE2 1 +ATOM 1482 C CZ . TYR B 1 59 ? -16.063 7.986 9.585 1.00 40.50 ? 59 TYR B CZ 1 +ATOM 1483 O OH . TYR B 1 59 ? -16.230 6.647 9.900 1.00 46.26 ? 59 TYR B OH 1 +ATOM 1484 H H . TYR B 1 59 ? -13.490 12.776 10.496 0.00 15.00 ? 59 TYR B H 1 +ATOM 1485 H HH . TYR B 1 59 ? -16.884 6.267 9.307 0.00 15.00 ? 59 TYR B HH 1 +ATOM 1486 N N . ASP B 1 60 ? -14.251 14.677 7.343 1.00 38.19 ? 60 ASP B N 1 +ATOM 1487 C CA . ASP B 1 60 ? -14.300 16.121 7.214 1.00 43.20 ? 60 ASP B CA 1 +ATOM 1488 C C . ASP B 1 60 ? -15.664 16.490 6.664 1.00 44.21 ? 60 ASP B C 1 +ATOM 1489 O O . ASP B 1 60 ? -16.384 15.636 6.172 1.00 43.97 ? 60 ASP B O 1 +ATOM 1490 C CB . ASP B 1 60 ? -13.185 16.573 6.261 1.00 50.03 ? 60 ASP B CB 1 +ATOM 1491 C CG . ASP B 1 60 ? -11.872 15.940 6.676 1.00 54.76 ? 60 ASP B CG 1 +ATOM 1492 O OD1 . ASP B 1 60 ? -11.223 16.463 7.583 1.00 60.38 ? 60 ASP B OD1 1 +ATOM 1493 O OD2 . ASP B 1 60 ? -11.509 14.913 6.097 1.00 63.78 ? 60 ASP B OD2 1 +ATOM 1494 H H . ASP B 1 60 ? -14.295 14.115 6.521 0.00 15.00 ? 60 ASP B H 1 +ATOM 1495 N N . GLN B 1 61 ? -16.024 17.761 6.763 1.00 41.92 ? 61 GLN B N 1 +ATOM 1496 C CA . GLN B 1 61 ? -17.309 18.177 6.204 1.00 40.65 ? 61 GLN B CA 1 +ATOM 1497 C C . GLN B 1 61 ? -18.532 17.413 6.727 1.00 35.57 ? 61 GLN B C 1 +ATOM 1498 O O . GLN B 1 61 ? -19.440 17.066 5.993 1.00 36.95 ? 61 GLN B O 1 +ATOM 1499 C CB . GLN B 1 61 ? -17.191 18.150 4.661 1.00 42.30 ? 61 GLN B CB 1 +ATOM 1500 C CG . GLN B 1 61 ? -18.060 19.142 3.862 1.00 52.88 ? 61 GLN B CG 1 +ATOM 1501 C CD . GLN B 1 61 ? -17.429 20.526 3.749 1.00 54.34 ? 61 GLN B CD 1 +ATOM 1502 O OE1 . GLN B 1 61 ? -16.218 20.712 3.816 1.00 57.42 ? 61 GLN B OE1 1 +ATOM 1503 N NE2 . GLN B 1 61 ? -18.307 21.511 3.560 1.00 58.66 ? 61 GLN B NE2 1 +ATOM 1504 H H . GLN B 1 61 ? -15.384 18.434 7.142 0.00 15.00 ? 61 GLN B H 1 +ATOM 1505 H HE21 . GLN B 1 61 ? -18.004 22.463 3.498 0.00 15.00 ? 61 GLN B HE21 1 +ATOM 1506 H HE22 . GLN B 1 61 ? -19.282 21.315 3.452 0.00 15.00 ? 61 GLN B HE22 1 +ATOM 1507 N N . ILE B 1 62 ? -18.565 17.173 8.037 1.00 32.30 ? 62 ILE B N 1 +ATOM 1508 C CA . ILE B 1 62 ? -19.773 16.581 8.641 1.00 26.75 ? 62 ILE B CA 1 +ATOM 1509 C C . ILE B 1 62 ? -20.693 17.657 9.205 1.00 24.43 ? 62 ILE B C 1 +ATOM 1510 O O . ILE B 1 62 ? -20.266 18.615 9.827 1.00 22.25 ? 62 ILE B O 1 +ATOM 1511 C CB . ILE B 1 62 ? -19.345 15.580 9.749 1.00 26.40 ? 62 ILE B CB 1 +ATOM 1512 C CG1 . ILE B 1 62 ? -18.552 14.462 9.107 1.00 26.33 ? 62 ILE B CG1 1 +ATOM 1513 C CG2 . ILE B 1 62 ? -20.477 15.018 10.590 1.00 21.53 ? 62 ILE B CG2 1 +ATOM 1514 C CD1 . ILE B 1 62 ? -19.352 13.723 8.024 1.00 30.98 ? 62 ILE B CD1 1 +ATOM 1515 H H . ILE B 1 62 ? -17.813 17.453 8.637 0.00 15.00 ? 62 ILE B H 1 +ATOM 1516 N N . LEU B 1 63 ? -21.972 17.461 8.948 1.00 20.14 ? 63 LEU B N 1 +ATOM 1517 C CA . LEU B 1 63 ? -22.989 18.347 9.502 1.00 20.98 ? 63 LEU B CA 1 +ATOM 1518 C C . LEU B 1 63 ? -23.285 17.955 10.907 1.00 20.53 ? 63 LEU B C 1 +ATOM 1519 O O . LEU B 1 63 ? -23.583 16.797 11.146 1.00 21.69 ? 63 LEU B O 1 +ATOM 1520 C CB . LEU B 1 63 ? -24.335 18.131 8.780 1.00 21.16 ? 63 LEU B CB 1 +ATOM 1521 C CG . LEU B 1 63 ? -25.344 19.276 8.553 1.00 22.93 ? 63 LEU B CG 1 +ATOM 1522 C CD1 . LEU B 1 63 ? -26.704 18.626 8.436 1.00 22.12 ? 63 LEU B CD1 1 +ATOM 1523 C CD2 . LEU B 1 63 ? -25.350 20.411 9.562 1.00 23.87 ? 63 LEU B CD2 1 +ATOM 1524 H H . LEU B 1 63 ? -22.263 16.641 8.452 0.00 15.00 ? 63 LEU B H 1 +ATOM 1525 N N . ILE B 1 64 ? -23.270 18.933 11.793 1.00 20.68 ? 64 ILE B N 1 +ATOM 1526 C CA . ILE B 1 64 ? -23.704 18.718 13.160 1.00 21.68 ? 64 ILE B CA 1 +ATOM 1527 C C . ILE B 1 64 ? -24.747 19.767 13.502 1.00 18.93 ? 64 ILE B C 1 +ATOM 1528 O O . ILE B 1 64 ? -24.610 20.910 13.131 1.00 19.77 ? 64 ILE B O 1 +ATOM 1529 C CB . ILE B 1 64 ? -22.464 18.849 14.114 1.00 26.70 ? 64 ILE B CB 1 +ATOM 1530 C CG1 . ILE B 1 64 ? -21.265 17.913 13.807 1.00 31.55 ? 64 ILE B CG1 1 +ATOM 1531 C CG2 . ILE B 1 64 ? -22.829 18.527 15.560 1.00 29.13 ? 64 ILE B CG2 1 +ATOM 1532 C CD1 . ILE B 1 64 ? -20.136 18.609 13.025 1.00 30.00 ? 64 ILE B CD1 1 +ATOM 1533 H H . ILE B 1 64 ? -23.002 19.863 11.519 0.00 15.00 ? 64 ILE B H 1 +ATOM 1534 N N . GLU B 1 65 ? -25.789 19.401 14.209 1.00 21.18 ? 65 GLU B N 1 +ATOM 1535 C CA . GLU B 1 65 ? -26.579 20.452 14.836 1.00 27.23 ? 65 GLU B CA 1 +ATOM 1536 C C . GLU B 1 65 ? -26.461 20.395 16.331 1.00 30.03 ? 65 GLU B C 1 +ATOM 1537 O O . GLU B 1 65 ? -26.776 19.372 16.932 1.00 30.83 ? 65 GLU B O 1 +ATOM 1538 C CB . GLU B 1 65 ? -28.007 20.226 14.534 1.00 27.82 ? 65 GLU B CB 1 +ATOM 1539 C CG . GLU B 1 65 ? -28.076 20.360 13.051 1.00 37.23 ? 65 GLU B CG 1 +ATOM 1540 C CD . GLU B 1 65 ? -29.415 19.871 12.619 1.00 44.88 ? 65 GLU B CD 1 +ATOM 1541 O OE1 . GLU B 1 65 ? -30.404 20.231 13.281 1.00 48.71 ? 65 GLU B OE1 1 +ATOM 1542 O OE2 . GLU B 1 65 ? -29.456 19.126 11.630 1.00 49.07 ? 65 GLU B OE2 1 +ATOM 1543 H H . GLU B 1 65 ? -25.941 18.438 14.441 0.00 15.00 ? 65 GLU B H 1 +ATOM 1544 N N . ILE B 1 66 ? -25.943 21.497 16.884 1.00 33.57 ? 66 ILE B N 1 +ATOM 1545 C CA . ILE B 1 66 ? -25.457 21.569 18.282 1.00 34.88 ? 66 ILE B CA 1 +ATOM 1546 C C . ILE B 1 66 ? -26.368 22.519 18.984 1.00 34.85 ? 66 ILE B C 1 +ATOM 1547 O O . ILE B 1 66 ? -26.346 23.707 18.734 1.00 36.51 ? 66 ILE B O 1 +ATOM 1548 C CB . ILE B 1 66 ? -24.020 22.194 18.454 1.00 35.39 ? 66 ILE B CB 1 +ATOM 1549 C CG1 . ILE B 1 66 ? -22.850 21.584 17.664 1.00 34.28 ? 66 ILE B CG1 1 +ATOM 1550 C CG2 . ILE B 1 66 ? -23.631 22.303 19.937 1.00 31.12 ? 66 ILE B CG2 1 +ATOM 1551 C CD1 . ILE B 1 66 ? -22.619 22.186 16.266 1.00 35.85 ? 66 ILE B CD1 1 +ATOM 1552 H H . ILE B 1 66 ? -25.826 22.313 16.306 0.00 15.00 ? 66 ILE B H 1 +HETATM 1553 N N . CSO B 1 67 ? -27.195 21.982 19.836 1.00 37.78 ? 67 CSO B N 1 +HETATM 1554 C CA . CSO B 1 67 ? -28.271 22.803 20.401 1.00 44.60 ? 67 CSO B CA 1 +HETATM 1555 C CB . CSO B 1 67 ? -27.736 23.706 21.580 1.00 45.83 ? 67 CSO B CB 1 +HETATM 1556 S SG . CSO B 1 67 ? -28.959 24.335 22.824 1.00 52.41 ? 67 CSO B SG 1 +HETATM 1557 C C . CSO B 1 67 ? -29.035 23.593 19.318 1.00 45.40 ? 67 CSO B C 1 +HETATM 1558 O O . CSO B 1 67 ? -29.314 24.775 19.410 1.00 45.94 ? 67 CSO B O 1 +HETATM 1559 O OD . CSO B 1 67 ? -28.527 23.445 24.058 1.00 44.93 ? 67 CSO B OD 1 +HETATM 1560 H H . CSO B 1 67 ? -27.163 21.000 20.039 0.00 15.00 ? 67 CSO B H 1 +HETATM 1561 H HD . CSO B 1 67 ? -27.859 23.903 24.590 0.00 15.00 ? 67 CSO B HD 1 +ATOM 1562 N N . GLY B 1 68 ? -29.381 22.882 18.245 1.00 43.59 ? 68 GLY B N 1 +ATOM 1563 C CA . GLY B 1 68 ? -30.213 23.570 17.265 1.00 45.25 ? 68 GLY B CA 1 +ATOM 1564 C C . GLY B 1 68 ? -29.556 24.776 16.599 1.00 47.11 ? 68 GLY B C 1 +ATOM 1565 O O . GLY B 1 68 ? -30.276 25.692 16.214 1.00 50.67 ? 68 GLY B O 1 +ATOM 1566 H H . GLY B 1 68 ? -29.227 21.892 18.191 0.00 15.00 ? 68 GLY B H 1 +ATOM 1567 N N . HIS B 1 69 ? -28.197 24.729 16.449 1.00 43.22 ? 69 HIS B N 1 +ATOM 1568 C CA . HIS B 1 69 ? -27.371 25.649 15.604 1.00 39.81 ? 69 HIS B CA 1 +ATOM 1569 C C . HIS B 1 69 ? -26.576 24.738 14.673 1.00 34.81 ? 69 HIS B C 1 +ATOM 1570 O O . HIS B 1 69 ? -26.054 23.732 15.122 1.00 34.86 ? 69 HIS B O 1 +ATOM 1571 C CB . HIS B 1 69 ? -26.248 26.373 16.386 1.00 39.15 ? 69 HIS B CB 1 +ATOM 1572 C CG . HIS B 1 69 ? -26.703 27.226 17.547 1.00 41.72 ? 69 HIS B CG 1 +ATOM 1573 N ND1 . HIS B 1 69 ? -26.122 28.390 17.870 1.00 46.49 ? 69 HIS B ND1 1 +ATOM 1574 C CD2 . HIS B 1 69 ? -27.717 26.992 18.480 1.00 43.78 ? 69 HIS B CD2 1 +ATOM 1575 C CE1 . HIS B 1 69 ? -26.754 28.895 18.989 1.00 44.27 ? 69 HIS B CE1 1 +ATOM 1576 N NE2 . HIS B 1 69 ? -27.750 28.023 19.366 1.00 47.21 ? 69 HIS B NE2 1 +ATOM 1577 H H . HIS B 1 69 ? -27.664 24.020 16.911 0.00 15.00 ? 69 HIS B H 1 +ATOM 1578 H HD1 . HIS B 1 69 ? -25.348 28.802 17.433 0.00 15.00 ? 69 HIS B HD1 1 +ATOM 1579 N N . LYS B 1 70 ? -26.508 25.045 13.397 1.00 31.96 ? 70 LYS B N 1 +ATOM 1580 C CA . LYS B 1 70 ? -25.771 24.128 12.518 1.00 31.04 ? 70 LYS B CA 1 +ATOM 1581 C C . LYS B 1 70 ? -24.305 24.478 12.372 1.00 28.95 ? 70 LYS B C 1 +ATOM 1582 O O . LYS B 1 70 ? -23.915 25.621 12.548 1.00 31.74 ? 70 LYS B O 1 +ATOM 1583 C CB . LYS B 1 70 ? -26.393 24.140 11.136 1.00 28.01 ? 70 LYS B CB 1 +ATOM 1584 C CG . LYS B 1 70 ? -27.780 23.571 11.169 1.00 30.12 ? 70 LYS B CG 1 +ATOM 1585 C CD . LYS B 1 70 ? -28.487 23.774 9.846 1.00 32.05 ? 70 LYS B CD 1 +ATOM 1586 C CE . LYS B 1 70 ? -29.930 23.293 9.993 1.00 35.64 ? 70 LYS B CE 1 +ATOM 1587 N NZ . LYS B 1 70 ? -30.691 23.611 8.774 1.00 38.86 ? 70 LYS B NZ 1 +ATOM 1588 H H . LYS B 1 70 ? -26.817 25.931 13.044 0.00 15.00 ? 70 LYS B H 1 +ATOM 1589 H HZ1 . LYS B 1 70 ? -30.664 24.637 8.608 0.00 15.00 ? 70 LYS B HZ1 1 +ATOM 1590 H HZ2 . LYS B 1 70 ? -30.267 23.118 7.963 0.00 15.00 ? 70 LYS B HZ2 1 +ATOM 1591 H HZ3 . LYS B 1 70 ? -31.678 23.304 8.890 0.00 15.00 ? 70 LYS B HZ3 1 +ATOM 1592 N N . ALA B 1 71 ? -23.501 23.488 12.027 1.00 25.14 ? 71 ALA B N 1 +ATOM 1593 C CA . ALA B 1 71 ? -22.089 23.739 11.736 1.00 23.78 ? 71 ALA B CA 1 +ATOM 1594 C C . ALA B 1 71 ? -21.664 22.602 10.874 1.00 23.95 ? 71 ALA B C 1 +ATOM 1595 O O . ALA B 1 71 ? -22.360 21.593 10.831 1.00 24.42 ? 71 ALA B O 1 +ATOM 1596 C CB . ALA B 1 71 ? -21.261 23.713 13.018 1.00 22.83 ? 71 ALA B CB 1 +ATOM 1597 H H . ALA B 1 71 ? -23.818 22.537 11.976 0.00 15.00 ? 71 ALA B H 1 +ATOM 1598 N N . ILE B 1 72 ? -20.525 22.740 10.211 1.00 24.56 ? 72 ILE B N 1 +ATOM 1599 C CA . ILE B 1 72 ? -19.983 21.638 9.377 1.00 23.43 ? 72 ILE B CA 1 +ATOM 1600 C C . ILE B 1 72 ? -18.473 21.664 9.528 1.00 22.79 ? 72 ILE B C 1 +ATOM 1601 O O . ILE B 1 72 ? -17.873 22.720 9.550 1.00 19.65 ? 72 ILE B O 1 +ATOM 1602 C CB . ILE B 1 72 ? -20.439 21.807 7.892 1.00 27.19 ? 72 ILE B CB 1 +ATOM 1603 C CG1 . ILE B 1 72 ? -20.424 20.571 7.026 1.00 27.69 ? 72 ILE B CG1 1 +ATOM 1604 C CG2 . ILE B 1 72 ? -19.775 22.971 7.156 1.00 24.78 ? 72 ILE B CG2 1 +ATOM 1605 C CD1 . ILE B 1 72 ? -21.802 20.600 6.337 1.00 32.96 ? 72 ILE B CD1 1 +ATOM 1606 H H . ILE B 1 72 ? -19.992 23.588 10.270 0.00 15.00 ? 72 ILE B H 1 +ATOM 1607 N N . GLY B 1 73 ? -17.887 20.499 9.720 1.00 24.79 ? 73 GLY B N 1 +ATOM 1608 C CA . GLY B 1 73 ? -16.466 20.461 10.022 1.00 22.32 ? 73 GLY B CA 1 +ATOM 1609 C C . GLY B 1 73 ? -16.021 19.044 10.226 1.00 25.71 ? 73 GLY B C 1 +ATOM 1610 O O . GLY B 1 73 ? -16.741 18.075 9.927 1.00 22.75 ? 73 GLY B O 1 +ATOM 1611 H H . GLY B 1 73 ? -18.422 19.649 9.754 0.00 15.00 ? 73 GLY B H 1 +ATOM 1612 N N . THR B 1 74 ? -14.781 18.989 10.750 1.00 24.21 ? 74 THR B N 1 +ATOM 1613 C CA . THR B 1 74 ? -14.150 17.718 11.070 1.00 21.40 ? 74 THR B CA 1 +ATOM 1614 C C . THR B 1 74 ? -14.677 17.131 12.324 1.00 21.13 ? 74 THR B C 1 +ATOM 1615 O O . THR B 1 74 ? -14.757 17.815 13.323 1.00 23.86 ? 74 THR B O 1 +ATOM 1616 C CB . THR B 1 74 ? -12.634 17.921 11.235 1.00 24.70 ? 74 THR B CB 1 +ATOM 1617 O OG1 . THR B 1 74 ? -12.148 18.527 10.017 1.00 27.63 ? 74 THR B OG1 1 +ATOM 1618 C CG2 . THR B 1 74 ? -11.866 16.614 11.503 1.00 20.96 ? 74 THR B CG2 1 +ATOM 1619 H H . THR B 1 74 ? -14.277 19.829 10.956 0.00 15.00 ? 74 THR B H 1 +ATOM 1620 H HG1 . THR B 1 74 ? -11.211 18.320 9.936 0.00 15.00 ? 74 THR B HG1 1 +ATOM 1621 N N . VAL B 1 75 ? -14.994 15.849 12.255 1.00 21.12 ? 75 VAL B N 1 +ATOM 1622 C CA . VAL B 1 75 ? -15.369 15.052 13.410 1.00 19.80 ? 75 VAL B CA 1 +ATOM 1623 C C . VAL B 1 75 ? -14.412 13.883 13.410 1.00 22.73 ? 75 VAL B C 1 +ATOM 1624 O O . VAL B 1 75 ? -14.176 13.230 12.394 1.00 22.33 ? 75 VAL B O 1 +ATOM 1625 C CB . VAL B 1 75 ? -16.808 14.596 13.170 1.00 17.69 ? 75 VAL B CB 1 +ATOM 1626 C CG1 . VAL B 1 75 ? -17.139 13.268 13.805 1.00 21.64 ? 75 VAL B CG1 1 +ATOM 1627 C CG2 . VAL B 1 75 ? -17.799 15.699 13.544 1.00 18.17 ? 75 VAL B CG2 1 +ATOM 1628 H H . VAL B 1 75 ? -14.903 15.364 11.377 0.00 15.00 ? 75 VAL B H 1 +ATOM 1629 N N . LEU B 1 76 ? -13.844 13.637 14.584 1.00 24.34 ? 76 LEU B N 1 +ATOM 1630 C CA . LEU B 1 76 ? -13.037 12.432 14.751 1.00 21.68 ? 76 LEU B CA 1 +ATOM 1631 C C . LEU B 1 76 ? -13.952 11.443 15.409 1.00 22.33 ? 76 LEU B C 1 +ATOM 1632 O O . LEU B 1 76 ? -14.760 11.864 16.223 1.00 24.90 ? 76 LEU B O 1 +ATOM 1633 C CB . LEU B 1 76 ? -11.948 12.755 15.738 1.00 20.07 ? 76 LEU B CB 1 +ATOM 1634 C CG . LEU B 1 76 ? -10.672 13.354 15.217 1.00 22.10 ? 76 LEU B CG 1 +ATOM 1635 C CD1 . LEU B 1 76 ? -10.796 14.192 13.982 1.00 22.28 ? 76 LEU B CD1 1 +ATOM 1636 C CD2 . LEU B 1 76 ? -10.059 14.162 16.356 1.00 22.37 ? 76 LEU B CD2 1 +ATOM 1637 H H . LEU B 1 76 ? -14.088 14.133 15.419 0.00 15.00 ? 76 LEU B H 1 +ATOM 1638 N N . VAL B 1 77 ? -13.825 10.156 15.080 1.00 21.63 ? 77 VAL B N 1 +ATOM 1639 C CA . VAL B 1 77 ? -14.626 9.122 15.734 1.00 23.26 ? 77 VAL B CA 1 +ATOM 1640 C C . VAL B 1 77 ? -13.690 8.031 16.206 1.00 26.20 ? 77 VAL B C 1 +ATOM 1641 O O . VAL B 1 77 ? -12.749 7.679 15.502 1.00 28.13 ? 77 VAL B O 1 +ATOM 1642 C CB . VAL B 1 77 ? -15.549 8.497 14.702 1.00 24.36 ? 77 VAL B CB 1 +ATOM 1643 C CG1 . VAL B 1 77 ? -16.278 7.319 15.309 1.00 26.99 ? 77 VAL B CG1 1 +ATOM 1644 C CG2 . VAL B 1 77 ? -16.519 9.510 14.067 1.00 24.79 ? 77 VAL B CG2 1 +ATOM 1645 H H . VAL B 1 77 ? -13.179 9.887 14.361 0.00 15.00 ? 77 VAL B H 1 +ATOM 1646 N N . GLY B 1 78 ? -13.954 7.505 17.394 1.00 26.38 ? 78 GLY B N 1 +ATOM 1647 C CA . GLY B 1 78 ? -12.984 6.597 17.949 1.00 27.01 ? 78 GLY B CA 1 +ATOM 1648 C C . GLY B 1 78 ? -13.403 6.334 19.361 1.00 30.23 ? 78 GLY B C 1 +ATOM 1649 O O . GLY B 1 78 ? -14.470 6.750 19.790 1.00 30.78 ? 78 GLY B O 1 +ATOM 1650 H H . GLY B 1 78 ? -14.732 7.803 17.959 0.00 15.00 ? 78 GLY B H 1 +ATOM 1651 N N . PRO B 1 79 ? -12.549 5.609 20.078 1.00 30.32 ? 79 PRO B N 1 +ATOM 1652 C CA . PRO B 1 79 ? -12.971 5.129 21.396 1.00 30.67 ? 79 PRO B CA 1 +ATOM 1653 C C . PRO B 1 79 ? -12.734 6.192 22.448 1.00 30.84 ? 79 PRO B C 1 +ATOM 1654 O O . PRO B 1 79 ? -11.808 6.102 23.229 1.00 32.77 ? 79 PRO B O 1 +ATOM 1655 C CB . PRO B 1 79 ? -12.030 3.919 21.542 1.00 30.08 ? 79 PRO B CB 1 +ATOM 1656 C CG . PRO B 1 79 ? -10.724 4.376 20.910 1.00 28.01 ? 79 PRO B CG 1 +ATOM 1657 C CD . PRO B 1 79 ? -11.228 5.115 19.685 1.00 27.86 ? 79 PRO B CD 1 +ATOM 1658 N N . THR B 1 80 ? -13.566 7.214 22.452 1.00 31.86 ? 80 THR B N 1 +ATOM 1659 C CA . THR B 1 80 ? -13.483 8.180 23.549 1.00 26.91 ? 80 THR B CA 1 +ATOM 1660 C C . THR B 1 80 ? -14.556 7.764 24.518 1.00 25.94 ? 80 THR B C 1 +ATOM 1661 O O . THR B 1 80 ? -15.588 7.272 24.110 1.00 27.61 ? 80 THR B O 1 +ATOM 1662 C CB . THR B 1 80 ? -13.753 9.591 23.001 1.00 24.39 ? 80 THR B CB 1 +ATOM 1663 O OG1 . THR B 1 80 ? -13.851 10.491 24.098 1.00 25.28 ? 80 THR B OG1 1 +ATOM 1664 C CG2 . THR B 1 80 ? -15.033 9.686 22.170 1.00 24.22 ? 80 THR B CG2 1 +ATOM 1665 H H . THR B 1 80 ? -14.336 7.241 21.810 0.00 15.00 ? 80 THR B H 1 +ATOM 1666 H HG1 . THR B 1 80 ? -14.457 11.214 23.864 0.00 15.00 ? 80 THR B HG1 1 +ATOM 1667 N N . PRO B 1 81 ? -14.327 7.986 25.794 1.00 26.21 ? 81 PRO B N 1 +ATOM 1668 C CA . PRO B 1 81 ? -15.410 7.696 26.730 1.00 24.86 ? 81 PRO B CA 1 +ATOM 1669 C C . PRO B 1 81 ? -16.545 8.708 26.773 1.00 25.57 ? 81 PRO B C 1 +ATOM 1670 O O . PRO B 1 81 ? -17.556 8.433 27.397 1.00 28.07 ? 81 PRO B O 1 +ATOM 1671 C CB . PRO B 1 81 ? -14.676 7.654 28.089 1.00 24.55 ? 81 PRO B CB 1 +ATOM 1672 C CG . PRO B 1 81 ? -13.471 8.577 27.931 1.00 24.99 ? 81 PRO B CG 1 +ATOM 1673 C CD . PRO B 1 81 ? -13.101 8.456 26.457 1.00 24.71 ? 81 PRO B CD 1 +ATOM 1674 N N . VAL B 1 82 ? -16.374 9.898 26.209 1.00 25.40 ? 82 VAL B N 1 +ATOM 1675 C CA . VAL B 1 82 ? -17.428 10.928 26.266 1.00 22.75 ? 82 VAL B CA 1 +ATOM 1676 C C . VAL B 1 82 ? -17.377 11.568 24.914 1.00 18.78 ? 82 VAL B C 1 +ATOM 1677 O O . VAL B 1 82 ? -16.311 11.687 24.340 1.00 20.32 ? 82 VAL B O 1 +ATOM 1678 C CB . VAL B 1 82 ? -17.172 11.975 27.419 1.00 25.82 ? 82 VAL B CB 1 +ATOM 1679 C CG1 . VAL B 1 82 ? -18.083 13.203 27.376 1.00 25.95 ? 82 VAL B CG1 1 +ATOM 1680 C CG2 . VAL B 1 82 ? -17.506 11.338 28.780 1.00 27.08 ? 82 VAL B CG2 1 +ATOM 1681 H H . VAL B 1 82 ? -15.568 10.115 25.652 0.00 15.00 ? 82 VAL B H 1 +ATOM 1682 N N . ASN B 1 83 ? -18.525 11.942 24.393 1.00 17.78 ? 83 ASN B N 1 +ATOM 1683 C CA . ASN B 1 83 ? -18.541 12.724 23.147 1.00 17.18 ? 83 ASN B CA 1 +ATOM 1684 C C . ASN B 1 83 ? -18.182 14.170 23.447 1.00 16.87 ? 83 ASN B C 1 +ATOM 1685 O O . ASN B 1 83 ? -18.784 14.754 24.348 1.00 18.40 ? 83 ASN B O 1 +ATOM 1686 C CB . ASN B 1 83 ? -19.943 12.782 22.555 1.00 19.13 ? 83 ASN B CB 1 +ATOM 1687 C CG . ASN B 1 83 ? -20.486 11.454 22.164 1.00 18.10 ? 83 ASN B CG 1 +ATOM 1688 O OD1 . ASN B 1 83 ? -19.890 10.709 21.417 1.00 18.22 ? 83 ASN B OD1 1 +ATOM 1689 N ND2 . ASN B 1 83 ? -21.696 11.189 22.631 1.00 16.26 ? 83 ASN B ND2 1 +ATOM 1690 H H . ASN B 1 83 ? -19.372 11.833 24.917 0.00 15.00 ? 83 ASN B H 1 +ATOM 1691 H HD21 . ASN B 1 83 ? -22.172 10.341 22.400 0.00 15.00 ? 83 ASN B HD21 1 +ATOM 1692 H HD22 . ASN B 1 83 ? -22.169 11.851 23.221 0.00 15.00 ? 83 ASN B HD22 1 +ATOM 1693 N N . ILE B 1 84 ? -17.205 14.714 22.720 1.00 18.05 ? 84 ILE B N 1 +ATOM 1694 C CA . ILE B 1 84 ? -16.587 16.028 23.015 1.00 15.49 ? 84 ILE B CA 1 +ATOM 1695 C C . ILE B 1 84 ? -16.806 16.906 21.832 1.00 15.15 ? 84 ILE B C 1 +ATOM 1696 O O . ILE B 1 84 ? -16.474 16.508 20.720 1.00 17.71 ? 84 ILE B O 1 +ATOM 1697 C CB . ILE B 1 84 ? -15.050 15.861 23.234 1.00 19.13 ? 84 ILE B CB 1 +ATOM 1698 C CG1 . ILE B 1 84 ? -14.801 15.070 24.541 1.00 18.44 ? 84 ILE B CG1 1 +ATOM 1699 C CG2 . ILE B 1 84 ? -14.212 17.174 23.167 1.00 14.92 ? 84 ILE B CG2 1 +ATOM 1700 C CD1 . ILE B 1 84 ? -13.516 14.281 24.443 1.00 19.65 ? 84 ILE B CD1 1 +ATOM 1701 H H . ILE B 1 84 ? -16.825 14.187 21.954 0.00 15.00 ? 84 ILE B H 1 +ATOM 1702 N N . ILE B 1 85 ? -17.347 18.113 22.102 1.00 14.85 ? 85 ILE B N 1 +ATOM 1703 C CA . ILE B 1 85 ? -17.350 19.179 21.089 1.00 14.42 ? 85 ILE B CA 1 +ATOM 1704 C C . ILE B 1 85 ? -16.206 20.130 21.423 1.00 14.47 ? 85 ILE B C 1 +ATOM 1705 O O . ILE B 1 85 ? -16.241 20.791 22.457 1.00 14.47 ? 85 ILE B O 1 +ATOM 1706 C CB . ILE B 1 85 ? -18.669 19.983 21.169 1.00 13.80 ? 85 ILE B CB 1 +ATOM 1707 C CG1 . ILE B 1 85 ? -19.954 19.150 21.206 1.00 13.93 ? 85 ILE B CG1 1 +ATOM 1708 C CG2 . ILE B 1 85 ? -18.670 21.034 20.021 1.00 14.67 ? 85 ILE B CG2 1 +ATOM 1709 C CD1 . ILE B 1 85 ? -20.231 18.466 19.872 1.00 16.69 ? 85 ILE B CD1 1 +ATOM 1710 H H . ILE B 1 85 ? -17.594 18.364 23.043 0.00 15.00 ? 85 ILE B H 1 +ATOM 1711 N N . GLY B 1 86 ? -15.234 20.158 20.538 1.00 12.90 ? 86 GLY B N 1 +ATOM 1712 C CA . GLY B 1 86 ? -14.070 20.986 20.784 1.00 13.31 ? 86 GLY B CA 1 +ATOM 1713 C C . GLY B 1 86 ? -14.054 22.253 19.991 1.00 11.91 ? 86 GLY B C 1 +ATOM 1714 O O . GLY B 1 86 ? -15.013 22.608 19.318 1.00 16.18 ? 86 GLY B O 1 +ATOM 1715 H H . GLY B 1 86 ? -15.314 19.635 19.692 0.00 15.00 ? 86 GLY B H 1 +ATOM 1716 N N . ARG B 1 87 ? -12.955 22.970 20.046 1.00 12.05 ? 87 ARG B N 1 +ATOM 1717 C CA . ARG B 1 87 ? -12.950 24.341 19.528 1.00 14.18 ? 87 ARG B CA 1 +ATOM 1718 C C . ARG B 1 87 ? -13.218 24.532 18.076 1.00 16.09 ? 87 ARG B C 1 +ATOM 1719 O O . ARG B 1 87 ? -13.785 25.514 17.648 1.00 17.05 ? 87 ARG B O 1 +ATOM 1720 C CB . ARG B 1 87 ? -11.676 25.121 19.814 1.00 14.28 ? 87 ARG B CB 1 +ATOM 1721 C CG . ARG B 1 87 ? -11.396 25.319 21.326 1.00 15.76 ? 87 ARG B CG 1 +ATOM 1722 C CD . ARG B 1 87 ? -10.096 26.147 21.558 1.00 13.96 ? 87 ARG B CD 1 +ATOM 1723 N NE . ARG B 1 87 ? -8.857 25.470 21.068 1.00 14.26 ? 87 ARG B NE 1 +ATOM 1724 C CZ . ARG B 1 87 ? -8.162 25.831 19.959 1.00 16.61 ? 87 ARG B CZ 1 +ATOM 1725 N NH1 . ARG B 1 87 ? -8.545 26.823 19.182 1.00 17.06 ? 87 ARG B NH1 1 +ATOM 1726 N NH2 . ARG B 1 87 ? -7.061 25.189 19.557 1.00 15.94 ? 87 ARG B NH2 1 +ATOM 1727 H H . ARG B 1 87 ? -12.181 22.637 20.594 0.00 15.00 ? 87 ARG B H 1 +ATOM 1728 H HE . ARG B 1 87 ? -8.533 24.684 21.592 0.00 15.00 ? 87 ARG B HE 1 +ATOM 1729 H HH11 . ARG B 1 87 ? -9.368 27.348 19.403 0.00 15.00 ? 87 ARG B HH11 1 +ATOM 1730 H HH12 . ARG B 1 87 ? -8.012 27.054 18.369 0.00 15.00 ? 87 ARG B HH12 1 +ATOM 1731 H HH21 . ARG B 1 87 ? -6.712 24.415 20.085 0.00 15.00 ? 87 ARG B HH21 1 +ATOM 1732 H HH22 . ARG B 1 87 ? -6.586 25.482 18.728 0.00 15.00 ? 87 ARG B HH22 1 +ATOM 1733 N N . ASN B 1 88 ? -12.875 23.516 17.326 1.00 15.96 ? 88 ASN B N 1 +ATOM 1734 C CA . ASN B 1 88 ? -13.182 23.596 15.898 1.00 16.87 ? 88 ASN B CA 1 +ATOM 1735 C C . ASN B 1 88 ? -14.641 23.843 15.550 1.00 18.57 ? 88 ASN B C 1 +ATOM 1736 O O . ASN B 1 88 ? -14.995 24.513 14.600 1.00 16.11 ? 88 ASN B O 1 +ATOM 1737 C CB . ASN B 1 88 ? -12.570 22.355 15.189 1.00 15.24 ? 88 ASN B CB 1 +ATOM 1738 C CG . ASN B 1 88 ? -13.422 21.127 15.214 1.00 15.56 ? 88 ASN B CG 1 +ATOM 1739 O OD1 . ASN B 1 88 ? -13.745 20.542 14.192 1.00 17.12 ? 88 ASN B OD1 1 +ATOM 1740 N ND2 . ASN B 1 88 ? -13.808 20.773 16.409 1.00 13.24 ? 88 ASN B ND2 1 +ATOM 1741 H H . ASN B 1 88 ? -12.237 22.839 17.696 0.00 15.00 ? 88 ASN B H 1 +ATOM 1742 H HD21 . ASN B 1 88 ? -14.439 20.002 16.514 0.00 15.00 ? 88 ASN B HD21 1 +ATOM 1743 H HD22 . ASN B 1 88 ? -13.478 21.231 17.229 0.00 15.00 ? 88 ASN B HD22 1 +ATOM 1744 N N . LEU B 1 89 ? -15.512 23.303 16.392 1.00 19.90 ? 89 LEU B N 1 +ATOM 1745 C CA . LEU B 1 89 ? -16.917 23.612 16.149 1.00 20.04 ? 89 LEU B CA 1 +ATOM 1746 C C . LEU B 1 89 ? -17.423 24.708 17.061 1.00 18.84 ? 89 LEU B C 1 +ATOM 1747 O O . LEU B 1 89 ? -18.302 25.463 16.684 1.00 18.43 ? 89 LEU B O 1 +ATOM 1748 C CB . LEU B 1 89 ? -17.795 22.339 16.199 1.00 15.90 ? 89 LEU B CB 1 +ATOM 1749 C CG . LEU B 1 89 ? -17.413 21.353 15.047 1.00 21.58 ? 89 LEU B CG 1 +ATOM 1750 C CD1 . LEU B 1 89 ? -18.043 20.004 15.311 1.00 19.15 ? 89 LEU B CD1 1 +ATOM 1751 C CD2 . LEU B 1 89 ? -17.800 21.805 13.641 1.00 19.63 ? 89 LEU B CD2 1 +ATOM 1752 H H . LEU B 1 89 ? -15.228 22.811 17.215 0.00 15.00 ? 89 LEU B H 1 +ATOM 1753 N N . LEU B 1 90 ? -16.817 24.824 18.250 1.00 17.15 ? 90 LEU B N 1 +ATOM 1754 C CA . LEU B 1 90 ? -17.259 25.870 19.185 1.00 16.47 ? 90 LEU B CA 1 +ATOM 1755 C C . LEU B 1 90 ? -17.154 27.264 18.589 1.00 17.49 ? 90 LEU B C 1 +ATOM 1756 O O . LEU B 1 90 ? -17.992 28.154 18.669 1.00 19.71 ? 90 LEU B O 1 +ATOM 1757 C CB . LEU B 1 90 ? -16.460 25.753 20.483 1.00 16.15 ? 90 LEU B CB 1 +ATOM 1758 C CG . LEU B 1 90 ? -16.774 24.550 21.372 1.00 15.57 ? 90 LEU B CG 1 +ATOM 1759 C CD1 . LEU B 1 90 ? -15.836 24.608 22.555 1.00 12.45 ? 90 LEU B CD1 1 +ATOM 1760 C CD2 . LEU B 1 90 ? -18.214 24.541 21.838 1.00 14.22 ? 90 LEU B CD2 1 +ATOM 1761 H H . LEU B 1 90 ? -16.137 24.150 18.540 0.00 15.00 ? 90 LEU B H 1 +ATOM 1762 N N . THR B 1 91 ? -16.092 27.413 17.881 1.00 17.59 ? 91 THR B N 1 +ATOM 1763 C CA . THR B 1 91 ? -15.952 28.573 17.026 1.00 17.96 ? 91 THR B CA 1 +ATOM 1764 C C . THR B 1 91 ? -17.088 28.827 16.016 1.00 24.71 ? 91 THR B C 1 +ATOM 1765 O O . THR B 1 91 ? -17.534 29.962 15.899 1.00 25.26 ? 91 THR B O 1 +ATOM 1766 C CB . THR B 1 91 ? -14.597 28.276 16.416 1.00 20.64 ? 91 THR B CB 1 +ATOM 1767 O OG1 . THR B 1 91 ? -13.595 28.966 17.180 1.00 24.88 ? 91 THR B OG1 1 +ATOM 1768 C CG2 . THR B 1 91 ? -14.491 28.425 14.935 1.00 19.40 ? 91 THR B CG2 1 +ATOM 1769 H H . THR B 1 91 ? -15.350 26.739 17.890 0.00 15.00 ? 91 THR B H 1 +ATOM 1770 H HG1 . THR B 1 91 ? -12.765 28.479 17.095 0.00 15.00 ? 91 THR B HG1 1 +ATOM 1771 N N . GLN B 1 92 ? -17.595 27.791 15.320 1.00 21.89 ? 92 GLN B N 1 +ATOM 1772 C CA . GLN B 1 92 ? -18.692 28.064 14.398 1.00 23.68 ? 92 GLN B CA 1 +ATOM 1773 C C . GLN B 1 92 ? -20.003 28.385 15.045 1.00 27.55 ? 92 GLN B C 1 +ATOM 1774 O O . GLN B 1 92 ? -20.824 29.138 14.540 1.00 28.05 ? 92 GLN B O 1 +ATOM 1775 C CB . GLN B 1 92 ? -18.978 26.889 13.506 1.00 25.63 ? 92 GLN B CB 1 +ATOM 1776 C CG . GLN B 1 92 ? -17.722 26.589 12.771 1.00 31.33 ? 92 GLN B CG 1 +ATOM 1777 C CD . GLN B 1 92 ? -18.021 25.581 11.703 1.00 37.67 ? 92 GLN B CD 1 +ATOM 1778 O OE1 . GLN B 1 92 ? -19.005 25.645 10.949 1.00 39.83 ? 92 GLN B OE1 1 +ATOM 1779 N NE2 . GLN B 1 92 ? -17.059 24.653 11.635 1.00 36.94 ? 92 GLN B NE2 1 +ATOM 1780 H H . GLN B 1 92 ? -17.336 26.849 15.529 0.00 15.00 ? 92 GLN B H 1 +ATOM 1781 H HE21 . GLN B 1 92 ? -17.091 23.972 10.896 0.00 15.00 ? 92 GLN B HE21 1 +ATOM 1782 H HE22 . GLN B 1 92 ? -16.308 24.612 12.296 0.00 15.00 ? 92 GLN B HE22 1 +ATOM 1783 N N . ILE B 1 93 ? -20.219 27.804 16.207 1.00 27.29 ? 93 ILE B N 1 +ATOM 1784 C CA . ILE B 1 93 ? -21.511 28.136 16.800 1.00 28.16 ? 93 ILE B CA 1 +ATOM 1785 C C . ILE B 1 93 ? -21.455 29.411 17.589 1.00 28.84 ? 93 ILE B C 1 +ATOM 1786 O O . ILE B 1 93 ? -22.393 29.761 18.291 1.00 33.29 ? 93 ILE B O 1 +ATOM 1787 C CB . ILE B 1 93 ? -22.090 26.998 17.640 1.00 24.84 ? 93 ILE B CB 1 +ATOM 1788 C CG1 . ILE B 1 93 ? -21.371 26.795 18.961 1.00 25.16 ? 93 ILE B CG1 1 +ATOM 1789 C CG2 . ILE B 1 93 ? -22.072 25.735 16.800 1.00 23.51 ? 93 ILE B CG2 1 +ATOM 1790 C CD1 . ILE B 1 93 ? -22.206 25.832 19.790 1.00 24.59 ? 93 ILE B CD1 1 +ATOM 1791 H H . ILE B 1 93 ? -19.556 27.187 16.638 0.00 15.00 ? 93 ILE B H 1 +ATOM 1792 N N . GLY B 1 94 ? -20.303 30.094 17.447 1.00 30.25 ? 94 GLY B N 1 +ATOM 1793 C CA . GLY B 1 94 ? -20.031 31.338 18.157 1.00 29.14 ? 94 GLY B CA 1 +ATOM 1794 C C . GLY B 1 94 ? -19.840 31.263 19.668 1.00 28.81 ? 94 GLY B C 1 +ATOM 1795 O O . GLY B 1 94 ? -20.237 32.183 20.366 1.00 31.59 ? 94 GLY B O 1 +ATOM 1796 H H . GLY B 1 94 ? -19.559 29.728 16.892 0.00 15.00 ? 94 GLY B H 1 +ATOM 1797 N N . ALA B 1 95 ? -19.230 30.187 20.191 1.00 28.94 ? 95 ALA B N 1 +ATOM 1798 C CA . ALA B 1 95 ? -19.230 30.180 21.653 1.00 25.41 ? 95 ALA B CA 1 +ATOM 1799 C C . ALA B 1 95 ? -18.146 31.070 22.194 1.00 22.11 ? 95 ALA B C 1 +ATOM 1800 O O . ALA B 1 95 ? -17.111 31.121 21.542 1.00 25.98 ? 95 ALA B O 1 +ATOM 1801 C CB . ALA B 1 95 ? -18.996 28.763 22.136 1.00 28.44 ? 95 ALA B CB 1 +ATOM 1802 H H . ALA B 1 95 ? -18.768 29.501 19.627 0.00 15.00 ? 95 ALA B H 1 +ATOM 1803 N N . THR B 1 96 ? -18.354 31.725 23.350 1.00 19.79 ? 96 THR B N 1 +ATOM 1804 C CA . THR B 1 96 ? -17.242 32.372 24.072 1.00 20.29 ? 96 THR B CA 1 +ATOM 1805 C C . THR B 1 96 ? -17.155 32.010 25.536 1.00 18.26 ? 96 THR B C 1 +ATOM 1806 O O . THR B 1 96 ? -18.121 31.607 26.169 1.00 18.84 ? 96 THR B O 1 +ATOM 1807 C CB . THR B 1 96 ? -17.311 33.892 23.984 1.00 20.19 ? 96 THR B CB 1 +ATOM 1808 O OG1 . THR B 1 96 ? -18.591 34.408 24.418 1.00 21.08 ? 96 THR B OG1 1 +ATOM 1809 C CG2 . THR B 1 96 ? -16.940 34.335 22.587 1.00 22.92 ? 96 THR B CG2 1 +ATOM 1810 H H . THR B 1 96 ? -19.262 31.734 23.771 0.00 15.00 ? 96 THR B H 1 +ATOM 1811 H HG1 . THR B 1 96 ? -19.215 34.404 23.676 0.00 15.00 ? 96 THR B HG1 1 +ATOM 1812 N N . LEU B 1 97 ? -15.968 32.181 26.074 1.00 20.22 ? 97 LEU B N 1 +ATOM 1813 C CA . LEU B 1 97 ? -15.790 32.067 27.524 1.00 23.47 ? 97 LEU B CA 1 +ATOM 1814 C C . LEU B 1 97 ? -15.790 33.454 28.125 1.00 23.70 ? 97 LEU B C 1 +ATOM 1815 O O . LEU B 1 97 ? -15.214 34.364 27.580 1.00 25.79 ? 97 LEU B O 1 +ATOM 1816 C CB . LEU B 1 97 ? -14.402 31.574 27.817 1.00 24.55 ? 97 LEU B CB 1 +ATOM 1817 C CG . LEU B 1 97 ? -14.284 30.125 28.110 1.00 23.54 ? 97 LEU B CG 1 +ATOM 1818 C CD1 . LEU B 1 97 ? -12.830 29.757 27.868 1.00 22.68 ? 97 LEU B CD1 1 +ATOM 1819 C CD2 . LEU B 1 97 ? -14.712 29.881 29.552 1.00 23.29 ? 97 LEU B CD2 1 +ATOM 1820 H H . LEU B 1 97 ? -15.205 32.514 25.515 0.00 15.00 ? 97 LEU B H 1 +ATOM 1821 N N . ASN B 1 98 ? -16.426 33.608 29.238 1.00 26.03 ? 98 ASN B N 1 +ATOM 1822 C CA . ASN B 1 98 ? -16.475 34.926 29.822 1.00 27.25 ? 98 ASN B CA 1 +ATOM 1823 C C . ASN B 1 98 ? -16.251 34.777 31.286 1.00 28.05 ? 98 ASN B C 1 +ATOM 1824 O O . ASN B 1 98 ? -16.830 33.920 31.917 1.00 27.42 ? 98 ASN B O 1 +ATOM 1825 C CB . ASN B 1 98 ? -17.879 35.439 29.664 1.00 33.66 ? 98 ASN B CB 1 +ATOM 1826 C CG . ASN B 1 98 ? -18.062 35.939 28.272 1.00 37.20 ? 98 ASN B CG 1 +ATOM 1827 O OD1 . ASN B 1 98 ? -17.877 37.105 27.990 1.00 44.34 ? 98 ASN B OD1 1 +ATOM 1828 N ND2 . ASN B 1 98 ? -18.437 35.041 27.378 1.00 41.62 ? 98 ASN B ND2 1 +ATOM 1829 H H . ASN B 1 98 ? -16.894 32.838 29.682 0.00 15.00 ? 98 ASN B H 1 +ATOM 1830 H HD21 . ASN B 1 98 ? -18.584 35.287 26.415 0.00 15.00 ? 98 ASN B HD21 1 +ATOM 1831 H HD22 . ASN B 1 98 ? -18.542 34.079 27.623 0.00 15.00 ? 98 ASN B HD22 1 +ATOM 1832 N N . PHE B 1 99 ? -15.436 35.644 31.835 1.00 31.78 ? 99 PHE B N 1 +ATOM 1833 C CA . PHE B 1 99 ? -15.338 35.849 33.284 1.00 32.71 ? 99 PHE B CA 1 +ATOM 1834 C C . PHE B 1 99 ? -15.004 37.320 33.538 1.00 34.67 ? 99 PHE B C 1 +ATOM 1835 O O . PHE B 1 99 ? -14.919 37.782 34.679 1.00 37.09 ? 99 PHE B O 1 +ATOM 1836 C CB . PHE B 1 99 ? -14.374 34.845 33.976 1.00 32.51 ? 99 PHE B CB 1 +ATOM 1837 C CG . PHE B 1 99 ? -12.935 34.871 33.522 1.00 36.94 ? 99 PHE B CG 1 +ATOM 1838 C CD1 . PHE B 1 99 ? -12.553 34.254 32.305 1.00 36.27 ? 99 PHE B CD1 1 +ATOM 1839 C CD2 . PHE B 1 99 ? -11.966 35.468 34.362 1.00 38.41 ? 99 PHE B CD2 1 +ATOM 1840 C CE1 . PHE B 1 99 ? -11.191 34.231 31.935 1.00 36.24 ? 99 PHE B CE1 1 +ATOM 1841 C CE2 . PHE B 1 99 ? -10.607 35.446 33.998 1.00 36.93 ? 99 PHE B CE2 1 +ATOM 1842 C CZ . PHE B 1 99 ? -10.227 34.827 32.787 1.00 35.39 ? 99 PHE B CZ 1 +ATOM 1843 O OXT . PHE B 1 99 ? -14.842 38.047 32.559 1.00 33.50 ? 99 PHE B OXT 1 +ATOM 1844 H H . PHE B 1 99 ? -14.970 36.317 31.258 0.00 15.00 ? 99 PHE B H 1 +HETATM 1845 C C1 . XK2 C 2 . ? -8.611 15.060 27.954 1.00 19.90 ? 263 XK2 A C1 1 +HETATM 1846 O O1 . XK2 C 2 . ? -7.939 14.039 27.941 1.00 20.46 ? 263 XK2 A O1 1 +HETATM 1847 N N2 . XK2 C 2 . ? -8.461 15.923 26.905 1.00 18.96 ? 263 XK2 A N2 1 +HETATM 1848 C C2 . XK2 C 2 . ? -7.854 15.351 25.696 1.00 17.53 ? 263 XK2 A C2 1 +HETATM 1849 C C3 . XK2 C 2 . ? -8.627 17.388 27.011 1.00 16.64 ? 263 XK2 A C3 1 +HETATM 1850 C C4 . XK2 C 2 . ? -10.029 17.910 27.298 1.00 16.75 ? 263 XK2 A C4 1 +HETATM 1851 O O4 . XK2 C 2 . ? -9.929 19.274 26.998 1.00 17.20 ? 263 XK2 A O4 1 +HETATM 1852 C C5 . XK2 C 2 . ? -10.461 17.645 28.733 1.00 16.33 ? 263 XK2 A C5 1 +HETATM 1853 O O5 . XK2 C 2 . ? -11.692 18.254 29.020 1.00 16.28 ? 263 XK2 A O5 1 +HETATM 1854 C C6 . XK2 C 2 . ? -10.657 16.152 28.964 1.00 17.82 ? 263 XK2 A C6 1 +HETATM 1855 N N7 . XK2 C 2 . ? -9.461 15.294 29.004 1.00 18.56 ? 263 XK2 A N7 1 +HETATM 1856 C C7 . XK2 C 2 . ? -9.271 14.491 30.215 1.00 19.97 ? 263 XK2 A C7 1 +HETATM 1857 C C20 . XK2 C 2 . ? -8.381 15.730 24.336 1.00 19.60 ? 263 XK2 A C20 1 +HETATM 1858 C C21 . XK2 C 2 . ? -9.769 15.712 24.022 1.00 21.97 ? 263 XK2 A C21 1 +HETATM 1859 C C22 . XK2 C 2 . ? -10.195 15.919 22.694 1.00 22.13 ? 263 XK2 A C22 1 +HETATM 1860 C C23 . XK2 C 2 . ? -9.219 16.152 21.693 1.00 22.78 ? 263 XK2 A C23 1 +HETATM 1861 C C24 . XK2 C 2 . ? -9.608 16.304 20.349 1.00 23.58 ? 263 XK2 A C24 1 +HETATM 1862 C C25 . XK2 C 2 . ? -8.626 16.508 19.349 1.00 26.36 ? 263 XK2 A C25 1 +HETATM 1863 C C26 . XK2 C 2 . ? -7.263 16.562 19.662 1.00 24.91 ? 263 XK2 A C26 1 +HETATM 1864 C C27 . XK2 C 2 . ? -6.860 16.403 21.006 1.00 26.98 ? 263 XK2 A C27 1 +HETATM 1865 C C28 . XK2 C 2 . ? -7.828 16.192 22.022 1.00 23.18 ? 263 XK2 A C28 1 +HETATM 1866 C C29 . XK2 C 2 . ? -7.408 15.983 23.346 1.00 20.82 ? 263 XK2 A C29 1 +HETATM 1867 C C31 . XK2 C 2 . ? -7.476 17.972 27.894 1.00 17.00 ? 263 XK2 A C31 1 +HETATM 1868 C C32 . XK2 C 2 . ? -6.124 17.890 27.193 1.00 23.02 ? 263 XK2 A C32 1 +HETATM 1869 C C33 . XK2 C 2 . ? -5.226 16.826 27.494 1.00 27.22 ? 263 XK2 A C33 1 +HETATM 1870 C C34 . XK2 C 2 . ? -4.029 16.667 26.750 1.00 21.82 ? 263 XK2 A C34 1 +HETATM 1871 C C35 . XK2 C 2 . ? -3.730 17.585 25.723 1.00 23.48 ? 263 XK2 A C35 1 +HETATM 1872 C C36 . XK2 C 2 . ? -4.607 18.660 25.432 1.00 21.61 ? 263 XK2 A C36 1 +HETATM 1873 C C37 . XK2 C 2 . ? -5.803 18.811 26.163 1.00 21.66 ? 263 XK2 A C37 1 +HETATM 1874 C C61 . XK2 C 2 . ? -11.712 15.451 28.079 1.00 20.34 ? 263 XK2 A C61 1 +HETATM 1875 C C62 . XK2 C 2 . ? -12.310 14.248 28.779 1.00 20.04 ? 263 XK2 A C62 1 +HETATM 1876 C C63 . XK2 C 2 . ? -13.167 14.422 29.898 1.00 20.49 ? 263 XK2 A C63 1 +HETATM 1877 C C64 . XK2 C 2 . ? -13.700 13.281 30.542 1.00 19.34 ? 263 XK2 A C64 1 +HETATM 1878 C C65 . XK2 C 2 . ? -13.374 11.982 30.058 1.00 19.90 ? 263 XK2 A C65 1 +HETATM 1879 C C66 . XK2 C 2 . ? -12.529 11.814 28.944 1.00 18.58 ? 263 XK2 A C66 1 +HETATM 1880 C C67 . XK2 C 2 . ? -11.992 12.954 28.304 1.00 19.66 ? 263 XK2 A C67 1 +HETATM 1881 C C70 . XK2 C 2 . ? -9.374 15.148 31.571 1.00 20.15 ? 263 XK2 A C70 1 +HETATM 1882 C C71 . XK2 C 2 . ? -10.228 14.492 32.477 1.00 22.33 ? 263 XK2 A C71 1 +HETATM 1883 C C72 . XK2 C 2 . ? -10.272 14.926 33.800 1.00 24.26 ? 263 XK2 A C72 1 +HETATM 1884 C C73 . XK2 C 2 . ? -11.156 14.282 34.709 1.00 29.56 ? 263 XK2 A C73 1 +HETATM 1885 C C74 . XK2 C 2 . ? -11.245 14.748 36.044 1.00 29.18 ? 263 XK2 A C74 1 +HETATM 1886 C C75 . XK2 C 2 . ? -10.435 15.837 36.451 1.00 26.45 ? 263 XK2 A C75 1 +HETATM 1887 C C76 . XK2 C 2 . ? -9.540 16.475 35.553 1.00 25.15 ? 263 XK2 A C76 1 +HETATM 1888 C C77 . XK2 C 2 . ? -9.455 16.028 34.212 1.00 23.89 ? 263 XK2 A C77 1 +HETATM 1889 C C78 . XK2 C 2 . ? -8.605 16.691 33.288 1.00 21.80 ? 263 XK2 A C78 1 +HETATM 1890 C C79 . XK2 C 2 . ? -8.574 16.252 31.962 1.00 18.98 ? 263 XK2 A C79 1 +# diff --git a/tests/test_data/from_cif_ans.npz b/tests/test_data/from_cif_ans.npz index 8bd8c32..f148074 100644 Binary files a/tests/test_data/from_cif_ans.npz and b/tests/test_data/from_cif_ans.npz differ diff --git a/tests/test_data/from_sdf_ans.npz b/tests/test_data/from_sdf_ans.npz index 3eb2789..bea9a3c 100644 Binary files a/tests/test_data/from_sdf_ans.npz and b/tests/test_data/from_sdf_ans.npz differ diff --git a/tests/test_data/test_read_cif.toml b/tests/test_data/test_read_cif.toml index 1d3b960..968b2d2 100644 --- a/tests/test_data/test_read_cif.toml +++ b/tests/test_data/test_read_cif.toml @@ -1104,31 +1104,72 @@ phi = ["-94.77", "-112.39", "77.32", "-152.18", "-119.78", "-143.35", "-131.65"] psi = ["56.86", "69.51", "-62.30", "-154.14", "-152.41", "11.93", "-159.03"] [7O1O.pdbx_refine_tls] -id = ["1", "?", "2", "?", "3", "?", "4", "?"] -pdbx_refine_id = ["X-RAY DIFFRACTION", "-3.1169", "X-RAY DIFFRACTION", "-0.0113", "X-RAY DIFFRACTION", "-0.7777", "X-RAY DIFFRACTION", "-0.0700"] -details = ["?", "?", "?", "?", "?", "?", "?", "?"] -method = ["refined", "0.6838", "refined", "0.5550", "refined", "0.4544", "refined", "0.3898"] -origin_x = ["15.5310", "?", "-23.4687", "?", "-14.3532", "?", "-7.7843", "?"] -origin_y = ["15.0265", "0.6611", "15.6994", "-0.0673", "25.8317", "-0.0007", "12.4788", "-0.0691"] -origin_z = ["-16.6702", "?", "-18.2936", "?", "-25.0331", "?", "-15.7000", "?"] -"T[1][1]" = ["0.1244", "3.1308", "0.1391", "1.3840", "0.1939", "2.3110", "0.1600", "0.9945"] -"T[1][1]_esd" = ["?", "?", "?", "?", "?", "?", "?", "?"] -"T[1][2]" = ["-0.0162", "0.0330", "0.0016", "-0.0211", "0.0050", "0.0596", "0.0046", "0.0051"] -"T[1][2]_esd" = ["?", "?", "?", "?", "?", "?", "?", "?"] -"T[1][3]" = ["-0.0215", "-0.0615", "0.0018", "-0.0167", "0.0002", "0.0675", "-0.0046", "-0.0484"] -"T[1][3]_esd" = ["?", "?", "?", "?", "?", "?", "?", "?"] -"T[2][2]" = ["0.2071", "0.2053", "0.1399", "-0.0025", "0.1241", "0.1416", "0.1291", "-0.0233"] -"T[2][2]_esd" = ["?", "?", "?", "?", "?", "?", "?", "?"] -"T[2][3]" = ["0.0406", "-0.0439", "0.0074", "0.0026", "0.0158", "-0.0597", "0.0086", "-0.0246"] -"T[2][3]_esd" = ["?", "?", "?", "?", "?", "?", "?", "?"] -"T[3][3]" = ["0.2008", "0.0133", "0.1392", "0.0182", "0.1604", "-0.0386", "0.1499", "-0.0271"] -"T[3][3]_esd" = ["?", "?", "?", "?", "?", "?", "?", "?"] -"L[1][1]" = ["4.6952", "-0.2174", "1.0734", "0.0638", "1.3728", "-0.0225", "0.9489", "-0.0162"] -"L[1][1]_esd" = ["?", "?", "?", "?", "?", "?", "?", "?"] -"L[1][2]" = ["-0.9361", "-0.0574", "-0.1417", "-0.0233", "-0.2745", "-0.2707", "-0.1562", "0.0333"] +id = ["1", "2", "3", "4"] +pdbx_refine_id = ["X-RAY DIFFRACTION", "X-RAY DIFFRACTION", "X-RAY DIFFRACTION", "X-RAY DIFFRACTION"] +details = ["?", "?", "?", "?"] +method = ["refined", "refined", "refined", "refined"] +origin_x = ["15.5310", "-23.4687", "-14.3532", "-7.7843"] +origin_y = ["15.0265", "15.6994", "25.8317", "12.4788"] +origin_z = ["-16.6702", "-18.2936", "-25.0331", "-15.7000"] +"T[1][1]" = ["0.1244", "0.1391", "0.1939", "0.1600"] +"T[1][1]_esd" = ["?", "?", "?", "?"] +"T[1][2]" = ["-0.0162", "0.0016", "0.0050", "0.0046"] +"T[1][2]_esd" = ["?", "?", "?", "?"] +"T[1][3]" = ["-0.0215", "0.0018", "0.0002", "-0.0046"] +"T[1][3]_esd" = ["?", "?", "?", "?"] +"T[2][2]" = ["0.2071", "0.1399", "0.1241", "0.1291"] +"T[2][2]_esd" = ["?", "?", "?", "?"] +"T[2][3]" = ["0.0406", "0.0074", "0.0158", "0.0086"] +"T[2][3]_esd" = ["?", "?", "?", "?"] +"T[3][3]" = ["0.2008", "0.1392", "0.1604", "0.1499"] +"T[3][3]_esd" = ["?", "?", "?", "?"] +"L[1][1]" = ["4.6952", "1.0734", "1.3728", "0.9489"] +"L[1][1]_esd" = ["?", "?", "?", "?"] +"L[1][2]" = ["-0.9361", "-0.1417", "-0.2745", "-0.1562"] +"L[1][2]_esd" = ["?", "?", "?", "?"] +"L[1][3]" = ["-3.1169", "-0.0113", "-0.7777", "-0.0700"] +"L[1][3]_esd" = ["?", "?", "?", "?"] +"L[2][2]" = ["0.6838", "0.5550", "0.4544", "0.3898"] +"L[2][2]_esd" = ["?", "?", "?", "?"] +"L[2][3]" = ["0.6611", "-0.0673", "-0.0007", "-0.0691"] +"L[2][3]_esd" = ["?", "?", "?", "?"] +"L[3][3]" = ["3.1308", "1.3840", "2.3110", "0.9945"] +"L[3][3]_esd" = ["?", "?", "?", "?"] +"S[1][1]" = ["0.0330", "-0.0211", "0.0596", "0.0051"] +"S[1][1]_esd" = ["?", "?", "?", "?"] +"S[1][2]" = ["-0.0615", "-0.0167", "0.0675", "-0.0484"] +"S[1][2]_esd" = ["?", "?", "?", "?"] +"S[1][3]" = ["0.2053", "-0.0025", "0.1416", "-0.0233"] +"S[1][3]_esd" = ["?", "?", "?", "?"] +"S[2][1]" = ["-0.0439", "0.0026", "-0.0597", "-0.0246"] +"S[2][1]_esd" = ["?", "?", "?", "?"] +"S[2][2]" = ["0.0133", "0.0182", "-0.0386", "-0.0271"] +"S[2][2]_esd" = ["?", "?", "?", "?"] +"S[2][3]" = ["-0.2174", "0.0638", "-0.0225", "-0.0162"] +"S[2][3]_esd" = ["?", "?", "?", "?"] +"S[3][1]" = ["-0.0574", "-0.0233", "-0.2707", "0.0333"] +"S[3][1]_esd" = ["?", "?", "?", "?"] +"S[3][2]" = ["0.3201", "-0.2312", "-0.0070", "0.0139"] +"S[3][2]_esd" = ["?", "?", "?", "?"] +"S[3][3]" = ["-0.0569", "-0.0118", "-0.0277", "0.0181"] +"S[3][3]_esd" = ["?", "?", "?", "?"] [7O1O.pdbx_refine_tls_group] -id = ["1", ";chain", ";", "2", ";chain", ";", "3", ";chain", ";", "4", ";chain", ";"] +id = ["1", "2", "3", "4"] +pdbx_refine_id = ["X-RAY DIFFRACTION", "X-RAY DIFFRACTION", "X-RAY DIFFRACTION", "X-RAY DIFFRACTION"] +refine_tls_id = ["1", "2", "3", "4"] +beg_label_asym_id = ["?", "?", "?", "?"] +beg_label_seq_id = ["?", "?", "?", "?"] +beg_auth_asym_id = ["A", "A", "A", "A"] +beg_auth_seq_id = ["-9", "47", "130", "190"] +beg_PDB_ins_code = ["?", "?", "?", "?"] +end_label_asym_id = ["?", "?", "?", "?"] +end_label_seq_id = ["?", "?", "?", "?"] +end_auth_asym_id = ["A", "A", "A", "A"] +end_auth_seq_id = ["46", "129", "189", "401"] +end_PDB_ins_code = ["?", "?", "?", "?"] +selection = ["?", "?", "?", "?"] +selection_details = ["chain 'A' and (resid -9 through 46 )", "chain 'A' and (resid 47 through 129 )", "chain 'A' and (resid 130 through 189 )", "chain 'A' and (resid 190 through 401 )"] [7O1O.pdbx_entry_details] entry_id = "7O1O" diff --git a/tests/test_data/test_write_cif.cif b/tests/test_data/test_write_cif.cif index 5e88519..c69df75 100644 --- a/tests/test_data/test_write_cif.cif +++ b/tests/test_data/test_write_cif.cif @@ -64,25 +64,25 @@ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item -1 2 'Structure model' '_citation.country' -2 2 'Structure model' '_citation.journal_abbrev' -3 2 'Structure model' '_citation.journal_id_ASTM' -4 2 'Structure model' '_citation.journal_id_ISSN' -5 2 'Structure model' '_citation.journal_volume' -6 2 'Structure model' '_citation.page_first' -7 2 'Structure model' '_citation.page_last' -8 2 'Structure model' '_citation.pdbx_database_id_DOI' -9 2 'Structure model' '_citation.pdbx_database_id_PubMed' -10 2 'Structure model' '_citation.title' -11 2 'Structure model' '_citation.year' -12 2 'Structure model' '_citation_author.identifier_ORCID' -13 2 'Structure model' '_citation_author.name' -14 2 'Structure model' '_database_2.pdbx_DOI' -15 2 'Structure model' '_database_2.pdbx_database_accession' -16 3 'Structure model' '_atom_site.auth_atom_id' -17 3 'Structure model' '_atom_site.label_atom_id' -18 3 'Structure model' '_atom_site_anisotrop.pdbx_auth_atom_id' -19 3 'Structure model' '_atom_site_anisotrop.pdbx_label_atom_id' +1 2 'Structure model' _citation.country +2 2 'Structure model' _citation.journal_abbrev +3 2 'Structure model' _citation.journal_id_ASTM +4 2 'Structure model' _citation.journal_id_ISSN +5 2 'Structure model' _citation.journal_volume +6 2 'Structure model' _citation.page_first +7 2 'Structure model' _citation.page_last +8 2 'Structure model' _citation.pdbx_database_id_DOI +9 2 'Structure model' _citation.pdbx_database_id_PubMed +10 2 'Structure model' _citation.title +11 2 'Structure model' _citation.year +12 2 'Structure model' _citation_author.identifier_ORCID +13 2 'Structure model' _citation_author.name +14 2 'Structure model' _database_2.pdbx_DOI +15 2 'Structure model' _database_2.pdbx_database_accession +16 3 'Structure model' _atom_site.auth_atom_id +17 3 'Structure model' _atom_site.label_atom_id +18 3 'Structure model' _atom_site_anisotrop.pdbx_auth_atom_id +19 3 'Structure model' _atom_site_anisotrop.pdbx_label_atom_id # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL @@ -602,7 +602,7 @@ _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? -_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli 'BL21-Gold(DE3)pLysS AG'' +_entity_src_gen.pdbx_host_org_scientific_name "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 866768 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? @@ -2618,29 +2618,58 @@ _pdbx_refine_tls.T[3][3]_esd _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[1][1]_esd _pdbx_refine_tls.L[1][2] -1 'X-RAY DIFFRACTION' ? refined 15.5310 15.0265 -16.6702 0.1244 ? -0.0162 ? -0.0215 ? 0.2071 ? 0.0406 ? 0.2008 ? 4.6952 ? -0.9361 -? -3.1169 ? 0.6838 ? 0.6611 ? 3.1308 ? 0.0330 ? -0.0615 ? 0.2053 ? -0.0439 ? 0.0133 ? -0.2174 ? -0.0574 -2 'X-RAY DIFFRACTION' ? refined -23.4687 15.6994 -18.2936 0.1391 ? 0.0016 ? 0.0018 ? 0.1399 ? 0.0074 ? 0.1392 ? 1.0734 ? -0.1417 -? -0.0113 ? 0.5550 ? -0.0673 ? 1.3840 ? -0.0211 ? -0.0167 ? -0.0025 ? 0.0026 ? 0.0182 ? 0.0638 ? -0.0233 -3 'X-RAY DIFFRACTION' ? refined -14.3532 25.8317 -25.0331 0.1939 ? 0.0050 ? 0.0002 ? 0.1241 ? 0.0158 ? 0.1604 ? 1.3728 ? -0.2745 -? -0.7777 ? 0.4544 ? -0.0007 ? 2.3110 ? 0.0596 ? 0.0675 ? 0.1416 ? -0.0597 ? -0.0386 ? -0.0225 ? -0.2707 -4 'X-RAY DIFFRACTION' ? refined -7.7843 12.4788 -15.7000 0.1600 ? 0.0046 ? -0.0046 ? 0.1291 ? 0.0086 ? 0.1499 ? 0.9489 ? -0.1562 -? -0.0700 ? 0.3898 ? -0.0691 ? 0.9945 ? 0.0051 ? -0.0484 ? -0.0233 ? -0.0246 ? -0.0271 ? -0.0162 ? 0.0333 +_pdbx_refine_tls.L[1][2]_esd +_pdbx_refine_tls.L[1][3] +_pdbx_refine_tls.L[1][3]_esd +_pdbx_refine_tls.L[2][2] +_pdbx_refine_tls.L[2][2]_esd +_pdbx_refine_tls.L[2][3] +_pdbx_refine_tls.L[2][3]_esd +_pdbx_refine_tls.L[3][3] +_pdbx_refine_tls.L[3][3]_esd +_pdbx_refine_tls.S[1][1] +_pdbx_refine_tls.S[1][1]_esd +_pdbx_refine_tls.S[1][2] +_pdbx_refine_tls.S[1][2]_esd +_pdbx_refine_tls.S[1][3] +_pdbx_refine_tls.S[1][3]_esd +_pdbx_refine_tls.S[2][1] +_pdbx_refine_tls.S[2][1]_esd +_pdbx_refine_tls.S[2][2] +_pdbx_refine_tls.S[2][2]_esd +_pdbx_refine_tls.S[2][3] +_pdbx_refine_tls.S[2][3]_esd +_pdbx_refine_tls.S[3][1] +_pdbx_refine_tls.S[3][1]_esd +_pdbx_refine_tls.S[3][2] +_pdbx_refine_tls.S[3][2]_esd +_pdbx_refine_tls.S[3][3] +_pdbx_refine_tls.S[3][3]_esd +1 'X-RAY DIFFRACTION' ? refined 15.5310 15.0265 -16.6702 0.1244 ? -0.0162 ? -0.0215 ? 0.2071 ? 0.0406 ? 0.2008 ? 4.6952 ? -0.9361 ? -3.1169 ? 0.6838 ? 0.6611 ? 3.1308 ? 0.0330 ? -0.0615 ? 0.2053 ? -0.0439 ? 0.0133 ? -0.2174 ? -0.0574 ? 0.3201 ? -0.0569 ? +2 'X-RAY DIFFRACTION' ? refined -23.4687 15.6994 -18.2936 0.1391 ? 0.0016 ? 0.0018 ? 0.1399 ? 0.0074 ? 0.1392 ? 1.0734 ? -0.1417 ? -0.0113 ? 0.5550 ? -0.0673 ? 1.3840 ? -0.0211 ? -0.0167 ? -0.0025 ? 0.0026 ? 0.0182 ? 0.0638 ? -0.0233 ? -0.2312 ? -0.0118 ? +3 'X-RAY DIFFRACTION' ? refined -14.3532 25.8317 -25.0331 0.1939 ? 0.0050 ? 0.0002 ? 0.1241 ? 0.0158 ? 0.1604 ? 1.3728 ? -0.2745 ? -0.7777 ? 0.4544 ? -0.0007 ? 2.3110 ? 0.0596 ? 0.0675 ? 0.1416 ? -0.0597 ? -0.0386 ? -0.0225 ? -0.2707 ? -0.0070 ? -0.0277 ? +4 'X-RAY DIFFRACTION' ? refined -7.7843 12.4788 -15.7000 0.1600 ? 0.0046 ? -0.0046 ? 0.1291 ? 0.0086 ? 0.1499 ? 0.9489 ? -0.1562 ? -0.0700 ? 0.3898 ? -0.0691 ? 0.9945 ? 0.0051 ? -0.0484 ? -0.0233 ? -0.0246 ? -0.0271 ? -0.0162 ? 0.0333 ? 0.0139 ? 0.0181 ? # loop_ -_pdbx_refine_tls_group.id -1 -;chain -; -2 -;chain -; -3 -;chain -; -4 -;chain -; +_pdbx_refine_tls_group.id +_pdbx_refine_tls_group.pdbx_refine_id +_pdbx_refine_tls_group.refine_tls_id +_pdbx_refine_tls_group.beg_label_asym_id +_pdbx_refine_tls_group.beg_label_seq_id +_pdbx_refine_tls_group.beg_auth_asym_id +_pdbx_refine_tls_group.beg_auth_seq_id +_pdbx_refine_tls_group.beg_PDB_ins_code +_pdbx_refine_tls_group.end_label_asym_id +_pdbx_refine_tls_group.end_label_seq_id +_pdbx_refine_tls_group.end_auth_asym_id +_pdbx_refine_tls_group.end_auth_seq_id +_pdbx_refine_tls_group.end_PDB_ins_code +_pdbx_refine_tls_group.selection +_pdbx_refine_tls_group.selection_details +1 'X-RAY DIFFRACTION' 1 ? ? A -9 ? ? ? A 46 ? ? "chain 'A' and (resid -9 through 46 )" +2 'X-RAY DIFFRACTION' 2 ? ? A 47 ? ? ? A 129 ? ? "chain 'A' and (resid 47 through 129 )" +3 'X-RAY DIFFRACTION' 3 ? ? A 130 ? ? ? A 189 ? ? "chain 'A' and (resid 130 through 189 )" +4 'X-RAY DIFFRACTION' 4 ? ? A 190 ? ? ? A 401 ? ? "chain 'A' and (resid 190 through 401 )" # _pdbx_entry_details.entry_id 7O1O _pdbx_entry_details.has_ligand_of_interest Y @@ -2688,485 +2717,485 @@ _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal -ALA N N N N 1 -ALA CA C N S 2 -ALA C C N N 3 -ALA O O N N 4 -ALA CB C N N 5 -ALA OXT O N N 6 -ALA H H N N 7 -ALA H2 H N N 8 -ALA HA H N N 9 -ALA HB1 H N N 10 -ALA HB2 H N N 11 -ALA HB3 H N N 12 -ALA HXT H N N 13 -ARG N N N N 14 -ARG CA C N S 15 -ARG C C N N 16 -ARG O O N N 17 -ARG CB C N N 18 -ARG CG C N N 19 -ARG CD C N N 20 -ARG NE N N N 21 -ARG CZ C N N 22 -ARG NH1 N N N 23 -ARG NH2 N N N 24 -ARG OXT O N N 25 -ARG H H N N 26 -ARG H2 H N N 27 -ARG HA H N N 28 -ARG HB2 H N N 29 -ARG HB3 H N N 30 -ARG HG2 H N N 31 -ARG HG3 H N N 32 -ARG HD2 H N N 33 -ARG HD3 H N N 34 -ARG HE H N N 35 -ARG HH11 H N N 36 -ARG HH12 H N N 37 -ARG HH21 H N N 38 -ARG HH22 H N N 39 -ARG HXT H N N 40 -ASN N N N N 41 -ASN CA C N S 42 -ASN C C N N 43 -ASN O O N N 44 -ASN CB C N N 45 -ASN CG C N N 46 -ASN OD1 O N N 47 -ASN ND2 N N N 48 -ASN OXT O N N 49 -ASN H H N N 50 -ASN H2 H N N 51 -ASN HA H N N 52 -ASN HB2 H N N 53 -ASN HB3 H N N 54 -ASN HD21 H N N 55 -ASN HD22 H N N 56 -ASN HXT H N N 57 -ASP N N N N 58 -ASP CA C N S 59 -ASP C C N N 60 -ASP O O N N 61 -ASP CB C N N 62 -ASP CG C N N 63 -ASP OD1 O N N 64 -ASP OD2 O N N 65 -ASP OXT O N N 66 -ASP H H N N 67 -ASP H2 H N N 68 -ASP HA H N N 69 -ASP HB2 H N N 70 -ASP HB3 H N N 71 -ASP HD2 H N N 72 -ASP HXT H N N 73 -CL CL CL N N 74 -CMO C C N N 75 -CMO O O N N 76 -CYN C C N N 77 -CYN N N N N 78 -CYS N N N N 79 -CYS CA C N R 80 -CYS C C N N 81 -CYS O O N N 82 -CYS CB C N N 83 -CYS SG S N N 84 -CYS OXT O N N 85 -CYS H H N N 86 -CYS H2 H N N 87 -CYS HA H N N 88 -CYS HB2 H N N 89 -CYS HB3 H N N 90 -CYS HG H N N 91 -CYS HXT H N N 92 -FE2 FE FE N N 93 -GLN N N N N 94 -GLN CA C N S 95 -GLN C C N N 96 -GLN O O N N 97 -GLN CB C N N 98 -GLN CG C N N 99 -GLN CD C N N 100 -GLN OE1 O N N 101 -GLN NE2 N N N 102 -GLN OXT O N N 103 -GLN H H N N 104 -GLN H2 H N N 105 -GLN HA H N N 106 -GLN HB2 H N N 107 -GLN HB3 H N N 108 -GLN HG2 H N N 109 -GLN HG3 H N N 110 -GLN HE21 H N N 111 -GLN HE22 H N N 112 -GLN HXT H N N 113 -GLU N N N N 114 -GLU CA C N S 115 -GLU C C N N 116 -GLU O O N N 117 -GLU CB C N N 118 -GLU CG C N N 119 -GLU CD C N N 120 -GLU OE1 O N N 121 -GLU OE2 O N N 122 -GLU OXT O N N 123 -GLU H H N N 124 -GLU H2 H N N 125 -GLU HA H N N 126 -GLU HB2 H N N 127 -GLU HB3 H N N 128 -GLU HG2 H N N 129 -GLU HG3 H N N 130 -GLU HE2 H N N 131 -GLU HXT H N N 132 -GLY N N N N 133 -GLY CA C N N 134 -GLY C C N N 135 -GLY O O N N 136 -GLY OXT O N N 137 -GLY H H N N 138 -GLY H2 H N N 139 -GLY HA2 H N N 140 -GLY HA3 H N N 141 -GLY HXT H N N 142 -GOL C1 C N N 143 -GOL O1 O N N 144 -GOL C2 C N N 145 -GOL O2 O N N 146 -GOL C3 C N N 147 -GOL O3 O N N 148 -GOL H11 H N N 149 -GOL H12 H N N 150 -GOL HO1 H N N 151 -GOL H2 H N N 152 -GOL HO2 H N N 153 -GOL H31 H N N 154 -GOL H32 H N N 155 -GOL HO3 H N N 156 -HIS N N N N 157 -HIS CA C N S 158 -HIS C C N N 159 -HIS O O N N 160 -HIS CB C N N 161 -HIS CG C Y N 162 -HIS ND1 N Y N 163 -HIS CD2 C Y N 164 -HIS CE1 C Y N 165 -HIS NE2 N Y N 166 -HIS OXT O N N 167 -HIS H H N N 168 -HIS H2 H N N 169 -HIS HA H N N 170 -HIS HB2 H N N 171 -HIS HB3 H N N 172 -HIS HD1 H N N 173 -HIS HD2 H N N 174 -HIS HE1 H N N 175 -HIS HE2 H N N 176 -HIS HXT H N N 177 -HOH O O N N 178 -HOH H1 H N N 179 -HOH H2 H N N 180 -ILE N N N N 181 -ILE CA C N S 182 -ILE C C N N 183 -ILE O O N N 184 -ILE CB C N S 185 -ILE CG1 C N N 186 -ILE CG2 C N N 187 -ILE CD1 C N N 188 -ILE OXT O N N 189 -ILE H H N N 190 -ILE H2 H N N 191 -ILE HA H N N 192 -ILE HB H N N 193 -ILE HG12 H N N 194 -ILE HG13 H N N 195 -ILE HG21 H N N 196 -ILE HG22 H N N 197 -ILE HG23 H N N 198 -ILE HD11 H N N 199 -ILE HD12 H N N 200 -ILE HD13 H N N 201 -ILE HXT H N N 202 -LEU N N N N 203 -LEU CA C N S 204 -LEU C C N N 205 -LEU O O N N 206 -LEU CB C N N 207 -LEU CG C N N 208 -LEU CD1 C N N 209 -LEU CD2 C N N 210 -LEU OXT O N N 211 -LEU H H N N 212 -LEU H2 H N N 213 -LEU HA H N N 214 -LEU HB2 H N N 215 -LEU HB3 H N N 216 -LEU HG H N N 217 -LEU HD11 H N N 218 -LEU HD12 H N N 219 -LEU HD13 H N N 220 -LEU HD21 H N N 221 -LEU HD22 H N N 222 -LEU HD23 H N N 223 -LEU HXT H N N 224 -LYS N N N N 225 -LYS CA C N S 226 -LYS C C N N 227 -LYS O O N N 228 -LYS CB C N N 229 -LYS CG C N N 230 -LYS CD C N N 231 -LYS CE C N N 232 -LYS NZ N N N 233 -LYS OXT O N N 234 -LYS H H N N 235 -LYS H2 H N N 236 -LYS HA H N N 237 -LYS HB2 H N N 238 -LYS HB3 H N N 239 -LYS HG2 H N N 240 -LYS HG3 H N N 241 -LYS HD2 H N N 242 -LYS HD3 H N N 243 -LYS HE2 H N N 244 -LYS HE3 H N N 245 -LYS HZ1 H N N 246 -LYS HZ2 H N N 247 -LYS HZ3 H N N 248 -LYS HXT H N N 249 -MET N N N N 250 -MET CA C N S 251 -MET C C N N 252 -MET O O N N 253 -MET CB C N N 254 -MET CG C N N 255 -MET SD S N N 256 -MET CE C N N 257 -MET OXT O N N 258 -MET H H N N 259 -MET H2 H N N 260 -MET HA H N N 261 -MET HB2 H N N 262 -MET HB3 H N N 263 -MET HG2 H N N 264 -MET HG3 H N N 265 -MET HE1 H N N 266 -MET HE2 H N N 267 -MET HE3 H N N 268 -MET HXT H N N 269 -PHE N N N N 270 -PHE CA C N S 271 -PHE C C N N 272 -PHE O O N N 273 -PHE CB C N N 274 -PHE CG C Y N 275 -PHE CD1 C Y N 276 -PHE CD2 C Y N 277 -PHE CE1 C Y N 278 -PHE CE2 C Y N 279 -PHE CZ C Y N 280 -PHE OXT O N N 281 -PHE H H N N 282 -PHE H2 H N N 283 -PHE HA H N N 284 -PHE HB2 H N N 285 -PHE HB3 H N N 286 -PHE HD1 H N N 287 -PHE HD2 H N N 288 -PHE HE1 H N N 289 -PHE HE2 H N N 290 -PHE HZ H N N 291 -PHE HXT H N N 292 -PO4 P P N N 293 -PO4 O1 O N N 294 -PO4 O2 O N N 295 -PO4 O3 O N N 296 -PO4 O4 O N N 297 -PRO N N N N 298 -PRO CA C N S 299 -PRO C C N N 300 -PRO O O N N 301 -PRO CB C N N 302 -PRO CG C N N 303 -PRO CD C N N 304 -PRO OXT O N N 305 -PRO H H N N 306 -PRO HA H N N 307 -PRO HB2 H N N 308 -PRO HB3 H N N 309 -PRO HG2 H N N 310 -PRO HG3 H N N 311 -PRO HD2 H N N 312 -PRO HD3 H N N 313 -PRO HXT H N N 314 -PYR C C N N 315 -PYR O O N N 316 -PYR OXT O N N 317 -PYR CA C N N 318 -PYR O3 O N N 319 -PYR CB C N N 320 -PYR HXT H N N 321 -PYR HB1 H N N 322 -PYR HB2 H N N 323 -PYR HB3 H N N 324 -SAH N N N N 325 -SAH CA C N S 326 -SAH CB C N N 327 -SAH CG C N N 328 -SAH SD S N N 329 -SAH C C N N 330 -SAH O O N N 331 -SAH OXT O N N 332 -SAH "C5'" C N N 333 -SAH "C4'" C N S 334 -SAH "O4'" O N N 335 -SAH "C3'" C N S 336 -SAH "O3'" O N N 337 -SAH "C2'" C N R 338 -SAH "O2'" O N N 339 -SAH "C1'" C N R 340 -SAH N9 N Y N 341 -SAH C8 C Y N 342 -SAH N7 N Y N 343 -SAH C5 C Y N 344 -SAH C6 C Y N 345 -SAH N6 N N N 346 -SAH N1 N Y N 347 -SAH C2 C Y N 348 -SAH N3 N Y N 349 -SAH C4 C Y N 350 -SAH HN1 H N N 351 -SAH HN2 H N N 352 -SAH HA H N N 353 -SAH HB1 H N N 354 -SAH HB2 H N N 355 -SAH HG1 H N N 356 -SAH HG2 H N N 357 -SAH HXT H N N 358 -SAH "H5'1" H N N 359 -SAH "H5'2" H N N 360 -SAH "H4'" H N N 361 -SAH "H3'" H N N 362 -SAH "HO3'" H N N 363 -SAH "H2'" H N N 364 -SAH "HO2'" H N N 365 -SAH "H1'" H N N 366 -SAH H8 H N N 367 -SAH HN61 H N N 368 -SAH HN62 H N N 369 -SAH H2 H N N 370 -SER N N N N 371 -SER CA C N S 372 -SER C C N N 373 -SER O O N N 374 -SER CB C N N 375 -SER OG O N N 376 -SER OXT O N N 377 -SER H H N N 378 -SER H2 H N N 379 -SER HA H N N 380 -SER HB2 H N N 381 -SER HB3 H N N 382 -SER HG H N N 383 -SER HXT H N N 384 -SF4 FE1 FE N N 385 -SF4 FE2 FE N N 386 -SF4 FE3 FE N N 387 -SF4 FE4 FE N N 388 -SF4 S1 S N N 389 -SF4 S2 S N N 390 -SF4 S3 S N N 391 -SF4 S4 S N N 392 -THR N N N N 393 -THR CA C N S 394 -THR C C N N 395 -THR O O N N 396 -THR CB C N R 397 -THR OG1 O N N 398 -THR CG2 C N N 399 -THR OXT O N N 400 -THR H H N N 401 -THR H2 H N N 402 -THR HA H N N 403 -THR HB H N N 404 -THR HG1 H N N 405 -THR HG21 H N N 406 -THR HG22 H N N 407 -THR HG23 H N N 408 -THR HXT H N N 409 -TRP N N N N 410 -TRP CA C N S 411 -TRP C C N N 412 -TRP O O N N 413 -TRP CB C N N 414 -TRP CG C Y N 415 -TRP CD1 C Y N 416 -TRP CD2 C Y N 417 -TRP NE1 N Y N 418 -TRP CE2 C Y N 419 -TRP CE3 C Y N 420 -TRP CZ2 C Y N 421 -TRP CZ3 C Y N 422 -TRP CH2 C Y N 423 -TRP OXT O N N 424 -TRP H H N N 425 -TRP H2 H N N 426 -TRP HA H N N 427 -TRP HB2 H N N 428 -TRP HB3 H N N 429 -TRP HD1 H N N 430 -TRP HE1 H N N 431 -TRP HE3 H N N 432 -TRP HZ2 H N N 433 -TRP HZ3 H N N 434 -TRP HH2 H N N 435 -TRP HXT H N N 436 -TYR N N N N 437 -TYR CA C N S 438 -TYR C C N N 439 -TYR O O N N 440 -TYR CB C N N 441 -TYR CG C Y N 442 -TYR CD1 C Y N 443 -TYR CD2 C Y N 444 -TYR CE1 C Y N 445 -TYR CE2 C Y N 446 -TYR CZ C Y N 447 -TYR OH O N N 448 -TYR OXT O N N 449 -TYR H H N N 450 -TYR H2 H N N 451 -TYR HA H N N 452 -TYR HB2 H N N 453 -TYR HB3 H N N 454 -TYR HD1 H N N 455 -TYR HD2 H N N 456 -TYR HE1 H N N 457 -TYR HE2 H N N 458 -TYR HH H N N 459 -TYR HXT H N N 460 -VAL N N N N 461 -VAL CA C N S 462 -VAL C C N N 463 -VAL O O N N 464 -VAL CB C N N 465 -VAL CG1 C N N 466 -VAL CG2 C N N 467 -VAL OXT O N N 468 -VAL H H N N 469 -VAL H2 H N N 470 -VAL HA H N N 471 -VAL HB H N N 472 -VAL HG11 H N N 473 -VAL HG12 H N N 474 -VAL HG13 H N N 475 -VAL HG21 H N N 476 -VAL HG22 H N N 477 -VAL HG23 H N N 478 -VAL HXT H N N 479 +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +ASP N N N N 58 +ASP CA C N S 59 +ASP C C N N 60 +ASP O O N N 61 +ASP CB C N N 62 +ASP CG C N N 63 +ASP OD1 O N N 64 +ASP OD2 O N N 65 +ASP OXT O N N 66 +ASP H H N N 67 +ASP H2 H N N 68 +ASP HA H N N 69 +ASP HB2 H N N 70 +ASP HB3 H N N 71 +ASP HD2 H N N 72 +ASP HXT H N N 73 +CL CL CL N N 74 +CMO C C N N 75 +CMO O O N N 76 +CYN C C N N 77 +CYN N N N N 78 +CYS N N N N 79 +CYS CA C N R 80 +CYS C C N N 81 +CYS O O N N 82 +CYS CB C N N 83 +CYS SG S N N 84 +CYS OXT O N N 85 +CYS H H N N 86 +CYS H2 H N N 87 +CYS HA H N N 88 +CYS HB2 H N N 89 +CYS HB3 H N N 90 +CYS HG H N N 91 +CYS HXT H N N 92 +FE2 FE FE N N 93 +GLN N N N N 94 +GLN CA C N S 95 +GLN C C N N 96 +GLN O O N N 97 +GLN CB C N N 98 +GLN CG C N N 99 +GLN CD C N N 100 +GLN OE1 O N N 101 +GLN NE2 N N N 102 +GLN OXT O N N 103 +GLN H H N N 104 +GLN H2 H N N 105 +GLN HA H N N 106 +GLN HB2 H N N 107 +GLN HB3 H N N 108 +GLN HG2 H N N 109 +GLN HG3 H N N 110 +GLN HE21 H N N 111 +GLN HE22 H N N 112 +GLN HXT H N N 113 +GLU N N N N 114 +GLU CA C N S 115 +GLU C C N N 116 +GLU O O N N 117 +GLU CB C N N 118 +GLU CG C N N 119 +GLU CD C N N 120 +GLU OE1 O N N 121 +GLU OE2 O N N 122 +GLU OXT O N N 123 +GLU H H N N 124 +GLU H2 H N N 125 +GLU HA H N N 126 +GLU HB2 H N N 127 +GLU HB3 H N N 128 +GLU HG2 H N N 129 +GLU HG3 H N N 130 +GLU HE2 H N N 131 +GLU HXT H N N 132 +GLY N N N N 133 +GLY CA C N N 134 +GLY C C N N 135 +GLY O O N N 136 +GLY OXT O N N 137 +GLY H H N N 138 +GLY H2 H N N 139 +GLY HA2 H N N 140 +GLY HA3 H N N 141 +GLY HXT H N N 142 +GOL C1 C N N 143 +GOL O1 O N N 144 +GOL C2 C N N 145 +GOL O2 O N N 146 +GOL C3 C N N 147 +GOL O3 O N N 148 +GOL H11 H N N 149 +GOL H12 H N N 150 +GOL HO1 H N N 151 +GOL H2 H N N 152 +GOL HO2 H N N 153 +GOL H31 H N N 154 +GOL H32 H N N 155 +GOL HO3 H N N 156 +HIS N N N N 157 +HIS CA C N S 158 +HIS C C N N 159 +HIS O O N N 160 +HIS CB C N N 161 +HIS CG C Y N 162 +HIS ND1 N Y N 163 +HIS CD2 C Y N 164 +HIS CE1 C Y N 165 +HIS NE2 N Y N 166 +HIS OXT O N N 167 +HIS H H N N 168 +HIS H2 H N N 169 +HIS HA H N N 170 +HIS HB2 H N N 171 +HIS HB3 H N N 172 +HIS HD1 H N N 173 +HIS HD2 H N N 174 +HIS HE1 H N N 175 +HIS HE2 H N N 176 +HIS HXT H N N 177 +HOH O O N N 178 +HOH H1 H N N 179 +HOH H2 H N N 180 +ILE N N N N 181 +ILE CA C N S 182 +ILE C C N N 183 +ILE O O N N 184 +ILE CB C N S 185 +ILE CG1 C N N 186 +ILE CG2 C N N 187 +ILE CD1 C N N 188 +ILE OXT O N N 189 +ILE H H N N 190 +ILE H2 H N N 191 +ILE HA H N N 192 +ILE HB H N N 193 +ILE HG12 H N N 194 +ILE HG13 H N N 195 +ILE HG21 H N N 196 +ILE HG22 H N N 197 +ILE HG23 H N N 198 +ILE HD11 H N N 199 +ILE HD12 H N N 200 +ILE HD13 H N N 201 +ILE HXT H N N 202 +LEU N N N N 203 +LEU CA C N S 204 +LEU C C N N 205 +LEU O O N N 206 +LEU CB C N N 207 +LEU CG C N N 208 +LEU CD1 C N N 209 +LEU CD2 C N N 210 +LEU OXT O N N 211 +LEU H H N N 212 +LEU H2 H N N 213 +LEU HA H N N 214 +LEU HB2 H N N 215 +LEU HB3 H N N 216 +LEU HG H N N 217 +LEU HD11 H N N 218 +LEU HD12 H N N 219 +LEU HD13 H N N 220 +LEU HD21 H N N 221 +LEU HD22 H N N 222 +LEU HD23 H N N 223 +LEU HXT H N N 224 +LYS N N N N 225 +LYS CA C N S 226 +LYS C C N N 227 +LYS O O N N 228 +LYS CB C N N 229 +LYS CG C N N 230 +LYS CD C N N 231 +LYS CE C N N 232 +LYS NZ N N N 233 +LYS OXT O N N 234 +LYS H H N N 235 +LYS H2 H N N 236 +LYS HA H N N 237 +LYS HB2 H N N 238 +LYS HB3 H N N 239 +LYS HG2 H N N 240 +LYS HG3 H N N 241 +LYS HD2 H N N 242 +LYS HD3 H N N 243 +LYS HE2 H N N 244 +LYS HE3 H N N 245 +LYS HZ1 H N N 246 +LYS HZ2 H N N 247 +LYS HZ3 H N N 248 +LYS HXT H N N 249 +MET N N N N 250 +MET CA C N S 251 +MET C C N N 252 +MET O O N N 253 +MET CB C N N 254 +MET CG C N N 255 +MET SD S N N 256 +MET CE C N N 257 +MET OXT O N N 258 +MET H H N N 259 +MET H2 H N N 260 +MET HA H N N 261 +MET HB2 H N N 262 +MET HB3 H N N 263 +MET HG2 H N N 264 +MET HG3 H N N 265 +MET HE1 H N N 266 +MET HE2 H N N 267 +MET HE3 H N N 268 +MET HXT H N N 269 +PHE N N N N 270 +PHE CA C N S 271 +PHE C C N N 272 +PHE O O N N 273 +PHE CB C N N 274 +PHE CG C Y N 275 +PHE CD1 C Y N 276 +PHE CD2 C Y N 277 +PHE CE1 C Y N 278 +PHE CE2 C Y N 279 +PHE CZ C Y N 280 +PHE OXT O N N 281 +PHE H H N N 282 +PHE H2 H N N 283 +PHE HA H N N 284 +PHE HB2 H N N 285 +PHE HB3 H N N 286 +PHE HD1 H N N 287 +PHE HD2 H N N 288 +PHE HE1 H N N 289 +PHE HE2 H N N 290 +PHE HZ H N N 291 +PHE HXT H N N 292 +PO4 P P N N 293 +PO4 O1 O N N 294 +PO4 O2 O N N 295 +PO4 O3 O N N 296 +PO4 O4 O N N 297 +PRO N N N N 298 +PRO CA C N S 299 +PRO C C N N 300 +PRO O O N N 301 +PRO CB C N N 302 +PRO CG C N N 303 +PRO CD C N N 304 +PRO OXT O N N 305 +PRO H H N N 306 +PRO HA H N N 307 +PRO HB2 H N N 308 +PRO HB3 H N N 309 +PRO HG2 H N N 310 +PRO HG3 H N N 311 +PRO HD2 H N N 312 +PRO HD3 H N N 313 +PRO HXT H N N 314 +PYR C C N N 315 +PYR O O N N 316 +PYR OXT O N N 317 +PYR CA C N N 318 +PYR O3 O N N 319 +PYR CB C N N 320 +PYR HXT H N N 321 +PYR HB1 H N N 322 +PYR HB2 H N N 323 +PYR HB3 H N N 324 +SAH N N N N 325 +SAH CA C N S 326 +SAH CB C N N 327 +SAH CG C N N 328 +SAH SD S N N 329 +SAH C C N N 330 +SAH O O N N 331 +SAH OXT O N N 332 +SAH C5' C N N 333 +SAH C4' C N S 334 +SAH O4' O N N 335 +SAH C3' C N S 336 +SAH O3' O N N 337 +SAH C2' C N R 338 +SAH O2' O N N 339 +SAH C1' C N R 340 +SAH N9 N Y N 341 +SAH C8 C Y N 342 +SAH N7 N Y N 343 +SAH C5 C Y N 344 +SAH C6 C Y N 345 +SAH N6 N N N 346 +SAH N1 N Y N 347 +SAH C2 C Y N 348 +SAH N3 N Y N 349 +SAH C4 C Y N 350 +SAH HN1 H N N 351 +SAH HN2 H N N 352 +SAH HA H N N 353 +SAH HB1 H N N 354 +SAH HB2 H N N 355 +SAH HG1 H N N 356 +SAH HG2 H N N 357 +SAH HXT H N N 358 +SAH H5'1 H N N 359 +SAH H5'2 H N N 360 +SAH H4' H N N 361 +SAH H3' H N N 362 +SAH HO3' H N N 363 +SAH H2' H N N 364 +SAH HO2' H N N 365 +SAH H1' H N N 366 +SAH H8 H N N 367 +SAH HN61 H N N 368 +SAH HN62 H N N 369 +SAH H2 H N N 370 +SER N N N N 371 +SER CA C N S 372 +SER C C N N 373 +SER O O N N 374 +SER CB C N N 375 +SER OG O N N 376 +SER OXT O N N 377 +SER H H N N 378 +SER H2 H N N 379 +SER HA H N N 380 +SER HB2 H N N 381 +SER HB3 H N N 382 +SER HG H N N 383 +SER HXT H N N 384 +SF4 FE1 FE N N 385 +SF4 FE2 FE N N 386 +SF4 FE3 FE N N 387 +SF4 FE4 FE N N 388 +SF4 S1 S N N 389 +SF4 S2 S N N 390 +SF4 S3 S N N 391 +SF4 S4 S N N 392 +THR N N N N 393 +THR CA C N S 394 +THR C C N N 395 +THR O O N N 396 +THR CB C N R 397 +THR OG1 O N N 398 +THR CG2 C N N 399 +THR OXT O N N 400 +THR H H N N 401 +THR H2 H N N 402 +THR HA H N N 403 +THR HB H N N 404 +THR HG1 H N N 405 +THR HG21 H N N 406 +THR HG22 H N N 407 +THR HG23 H N N 408 +THR HXT H N N 409 +TRP N N N N 410 +TRP CA C N S 411 +TRP C C N N 412 +TRP O O N N 413 +TRP CB C N N 414 +TRP CG C Y N 415 +TRP CD1 C Y N 416 +TRP CD2 C Y N 417 +TRP NE1 N Y N 418 +TRP CE2 C Y N 419 +TRP CE3 C Y N 420 +TRP CZ2 C Y N 421 +TRP CZ3 C Y N 422 +TRP CH2 C Y N 423 +TRP OXT O N N 424 +TRP H H N N 425 +TRP H2 H N N 426 +TRP HA H N N 427 +TRP HB2 H N N 428 +TRP HB3 H N N 429 +TRP HD1 H N N 430 +TRP HE1 H N N 431 +TRP HE3 H N N 432 +TRP HZ2 H N N 433 +TRP HZ3 H N N 434 +TRP HH2 H N N 435 +TRP HXT H N N 436 +TYR N N N N 437 +TYR CA C N S 438 +TYR C C N N 439 +TYR O O N N 440 +TYR CB C N N 441 +TYR CG C Y N 442 +TYR CD1 C Y N 443 +TYR CD2 C Y N 444 +TYR CE1 C Y N 445 +TYR CE2 C Y N 446 +TYR CZ C Y N 447 +TYR OH O N N 448 +TYR OXT O N N 449 +TYR H H N N 450 +TYR H2 H N N 451 +TYR HA H N N 452 +TYR HB2 H N N 453 +TYR HB3 H N N 454 +TYR HD1 H N N 455 +TYR HD2 H N N 456 +TYR HE1 H N N 457 +TYR HE2 H N N 458 +TYR HH H N N 459 +TYR HXT H N N 460 +VAL N N N N 461 +VAL CA C N S 462 +VAL C C N N 463 +VAL O O N N 464 +VAL CB C N N 465 +VAL CG1 C N N 466 +VAL CG2 C N N 467 +VAL OXT O N N 468 +VAL H H N N 469 +VAL H2 H N N 470 +VAL HA H N N 471 +VAL HB H N N 472 +VAL HG11 H N N 473 +VAL HG12 H N N 474 +VAL HG13 H N N 475 +VAL HG21 H N N 476 +VAL HG22 H N N 477 +VAL HG23 H N N 478 +VAL HXT H N N 479 # loop_ _chem_comp_bond.comp_id @@ -3176,469 +3205,469 @@ _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal -ALA N CA sing N N 1 -ALA N H sing N N 2 -ALA N H2 sing N N 3 -ALA CA C sing N N 4 -ALA CA CB sing N N 5 -ALA CA HA sing N N 6 -ALA C O doub N N 7 -ALA C OXT sing N N 8 -ALA CB HB1 sing N N 9 -ALA CB HB2 sing N N 10 -ALA CB HB3 sing N N 11 -ALA OXT HXT sing N N 12 -ARG N CA sing N N 13 -ARG N H sing N N 14 -ARG N H2 sing N N 15 -ARG CA C sing N N 16 -ARG CA CB sing N N 17 -ARG CA HA sing N N 18 -ARG C O doub N N 19 -ARG C OXT sing N N 20 -ARG CB CG sing N N 21 -ARG CB HB2 sing N N 22 -ARG CB HB3 sing N N 23 -ARG CG CD sing N N 24 -ARG CG HG2 sing N N 25 -ARG CG HG3 sing N N 26 -ARG CD NE sing N N 27 -ARG CD HD2 sing N N 28 -ARG CD HD3 sing N N 29 -ARG NE CZ sing N N 30 -ARG NE HE sing N N 31 -ARG CZ NH1 sing N N 32 -ARG CZ NH2 doub N N 33 -ARG NH1 HH11 sing N N 34 -ARG NH1 HH12 sing N N 35 -ARG NH2 HH21 sing N N 36 -ARG NH2 HH22 sing N N 37 -ARG OXT HXT sing N N 38 -ASN N CA sing N N 39 -ASN N H sing N N 40 -ASN N H2 sing N N 41 -ASN CA C sing N N 42 -ASN CA CB sing N N 43 -ASN CA HA sing N N 44 -ASN C O doub N N 45 -ASN C OXT sing N N 46 -ASN CB CG sing N N 47 -ASN CB HB2 sing N N 48 -ASN CB HB3 sing N N 49 -ASN CG OD1 doub N N 50 -ASN CG ND2 sing N N 51 -ASN ND2 HD21 sing N N 52 -ASN ND2 HD22 sing N N 53 -ASN OXT HXT sing N N 54 -ASP N CA sing N N 55 -ASP N H sing N N 56 -ASP N H2 sing N N 57 -ASP CA C sing N N 58 -ASP CA CB sing N N 59 -ASP CA HA sing N N 60 -ASP C O doub N N 61 -ASP C OXT sing N N 62 -ASP CB CG sing N N 63 -ASP CB HB2 sing N N 64 -ASP CB HB3 sing N N 65 -ASP CG OD1 doub N N 66 -ASP CG OD2 sing N N 67 -ASP OD2 HD2 sing N N 68 -ASP OXT HXT sing N N 69 -CMO C O trip N N 70 -CYN C N trip N N 71 -CYS N CA sing N N 72 -CYS N H sing N N 73 -CYS N H2 sing N N 74 -CYS CA C sing N N 75 -CYS CA CB sing N N 76 -CYS CA HA sing N N 77 -CYS C O doub N N 78 -CYS C OXT sing N N 79 -CYS CB SG sing N N 80 -CYS CB HB2 sing N N 81 -CYS CB HB3 sing N N 82 -CYS SG HG sing N N 83 -CYS OXT HXT sing N N 84 -GLN N CA sing N N 85 -GLN N H sing N N 86 -GLN N H2 sing N N 87 -GLN CA C sing N N 88 -GLN CA CB sing N N 89 -GLN CA HA sing N N 90 -GLN C O doub N N 91 -GLN C OXT sing N N 92 -GLN CB CG sing N N 93 -GLN CB HB2 sing N N 94 -GLN CB HB3 sing N N 95 -GLN CG CD sing N N 96 -GLN CG HG2 sing N N 97 -GLN CG HG3 sing N N 98 -GLN CD OE1 doub N N 99 -GLN CD NE2 sing N N 100 -GLN NE2 HE21 sing N N 101 -GLN NE2 HE22 sing N N 102 -GLN OXT HXT sing N N 103 -GLU N CA sing N N 104 -GLU N H sing N N 105 -GLU N H2 sing N N 106 -GLU CA C sing N N 107 -GLU CA CB sing N N 108 -GLU CA HA sing N N 109 -GLU C O doub N N 110 -GLU C OXT sing N N 111 -GLU CB CG sing N N 112 -GLU CB HB2 sing N N 113 -GLU CB HB3 sing N N 114 -GLU CG CD sing N N 115 -GLU CG HG2 sing N N 116 -GLU CG HG3 sing N N 117 -GLU CD OE1 doub N N 118 -GLU CD OE2 sing N N 119 -GLU OE2 HE2 sing N N 120 -GLU OXT HXT sing N N 121 -GLY N CA sing N N 122 -GLY N H sing N N 123 -GLY N H2 sing N N 124 -GLY CA C sing N N 125 -GLY CA HA2 sing N N 126 -GLY CA HA3 sing N N 127 -GLY C O doub N N 128 -GLY C OXT sing N N 129 -GLY OXT HXT sing N N 130 -GOL C1 O1 sing N N 131 -GOL C1 C2 sing N N 132 -GOL C1 H11 sing N N 133 -GOL C1 H12 sing N N 134 -GOL O1 HO1 sing N N 135 -GOL C2 O2 sing N N 136 -GOL C2 C3 sing N N 137 -GOL C2 H2 sing N N 138 -GOL O2 HO2 sing N N 139 -GOL C3 O3 sing N N 140 -GOL C3 H31 sing N N 141 -GOL C3 H32 sing N N 142 -GOL O3 HO3 sing N N 143 -HIS N CA sing N N 144 -HIS N H sing N N 145 -HIS N H2 sing N N 146 -HIS CA C sing N N 147 -HIS CA CB sing N N 148 -HIS CA HA sing N N 149 -HIS C O doub N N 150 -HIS C OXT sing N N 151 -HIS CB CG sing N N 152 -HIS CB HB2 sing N N 153 -HIS CB HB3 sing N N 154 -HIS CG ND1 sing Y N 155 -HIS CG CD2 doub Y N 156 -HIS ND1 CE1 doub Y N 157 -HIS ND1 HD1 sing N N 158 -HIS CD2 NE2 sing Y N 159 -HIS CD2 HD2 sing N N 160 -HIS CE1 NE2 sing Y N 161 -HIS CE1 HE1 sing N N 162 -HIS NE2 HE2 sing N N 163 -HIS OXT HXT sing N N 164 -HOH O H1 sing N N 165 -HOH O H2 sing N N 166 -ILE N CA sing N N 167 -ILE N H sing N N 168 -ILE N H2 sing N N 169 -ILE CA C sing N N 170 -ILE CA CB sing N N 171 -ILE CA HA sing N N 172 -ILE C O doub N N 173 -ILE C OXT sing N N 174 -ILE CB CG1 sing N N 175 -ILE CB CG2 sing N N 176 -ILE CB HB sing N N 177 -ILE CG1 CD1 sing N N 178 -ILE CG1 HG12 sing N N 179 -ILE CG1 HG13 sing N N 180 -ILE CG2 HG21 sing N N 181 -ILE CG2 HG22 sing N N 182 -ILE CG2 HG23 sing N N 183 -ILE CD1 HD11 sing N N 184 -ILE CD1 HD12 sing N N 185 -ILE CD1 HD13 sing N N 186 -ILE OXT HXT sing N N 187 -LEU N CA sing N N 188 -LEU N H sing N N 189 -LEU N H2 sing N N 190 -LEU CA C sing N N 191 -LEU CA CB sing N N 192 -LEU CA HA sing N N 193 -LEU C O doub N N 194 -LEU C OXT sing N N 195 -LEU CB CG sing N N 196 -LEU CB HB2 sing N N 197 -LEU CB HB3 sing N N 198 -LEU CG CD1 sing N N 199 -LEU CG CD2 sing N N 200 -LEU CG HG sing N N 201 -LEU CD1 HD11 sing N N 202 -LEU CD1 HD12 sing N N 203 -LEU CD1 HD13 sing N N 204 -LEU CD2 HD21 sing N N 205 -LEU CD2 HD22 sing N N 206 -LEU CD2 HD23 sing N N 207 -LEU OXT HXT sing N N 208 -LYS N CA sing N N 209 -LYS N H sing N N 210 -LYS N H2 sing N N 211 -LYS CA C sing N N 212 -LYS CA CB sing N N 213 -LYS CA HA sing N N 214 -LYS C O doub N N 215 -LYS C OXT sing N N 216 -LYS CB CG sing N N 217 -LYS CB HB2 sing N N 218 -LYS CB HB3 sing N N 219 -LYS CG CD sing N N 220 -LYS CG HG2 sing N N 221 -LYS CG HG3 sing N N 222 -LYS CD CE sing N N 223 -LYS CD HD2 sing N N 224 -LYS CD HD3 sing N N 225 -LYS CE NZ sing N N 226 -LYS CE HE2 sing N N 227 -LYS CE HE3 sing N N 228 -LYS NZ HZ1 sing N N 229 -LYS NZ HZ2 sing N N 230 -LYS NZ HZ3 sing N N 231 -LYS OXT HXT sing N N 232 -MET N CA sing N N 233 -MET N H sing N N 234 -MET N H2 sing N N 235 -MET CA C sing N N 236 -MET CA CB sing N N 237 -MET CA HA sing N N 238 -MET C O doub N N 239 -MET C OXT sing N N 240 -MET CB CG sing N N 241 -MET CB HB2 sing N N 242 -MET CB HB3 sing N N 243 -MET CG SD sing N N 244 -MET CG HG2 sing N N 245 -MET CG HG3 sing N N 246 -MET SD CE sing N N 247 -MET CE HE1 sing N N 248 -MET CE HE2 sing N N 249 -MET CE HE3 sing N N 250 -MET OXT HXT sing N N 251 -PHE N CA sing N N 252 -PHE N H sing N N 253 -PHE N H2 sing N N 254 -PHE CA C sing N N 255 -PHE CA CB sing N N 256 -PHE CA HA sing N N 257 -PHE C O doub N N 258 -PHE C OXT sing N N 259 -PHE CB CG sing N N 260 -PHE CB HB2 sing N N 261 -PHE CB HB3 sing N N 262 -PHE CG CD1 doub Y N 263 -PHE CG CD2 sing Y N 264 -PHE CD1 CE1 sing Y N 265 -PHE CD1 HD1 sing N N 266 -PHE CD2 CE2 doub Y N 267 -PHE CD2 HD2 sing N N 268 -PHE CE1 CZ doub Y N 269 -PHE CE1 HE1 sing N N 270 -PHE CE2 CZ sing Y N 271 -PHE CE2 HE2 sing N N 272 -PHE CZ HZ sing N N 273 -PHE OXT HXT sing N N 274 -PO4 P O1 doub N N 275 -PO4 P O2 sing N N 276 -PO4 P O3 sing N N 277 -PO4 P O4 sing N N 278 -PRO N CA sing N N 279 -PRO N CD sing N N 280 -PRO N H sing N N 281 -PRO CA C sing N N 282 -PRO CA CB sing N N 283 -PRO CA HA sing N N 284 -PRO C O doub N N 285 -PRO C OXT sing N N 286 -PRO CB CG sing N N 287 -PRO CB HB2 sing N N 288 -PRO CB HB3 sing N N 289 -PRO CG CD sing N N 290 -PRO CG HG2 sing N N 291 -PRO CG HG3 sing N N 292 -PRO CD HD2 sing N N 293 -PRO CD HD3 sing N N 294 -PRO OXT HXT sing N N 295 -PYR C O doub N N 296 -PYR C OXT sing N N 297 -PYR C CA sing N N 298 -PYR OXT HXT sing N N 299 -PYR CA O3 doub N N 300 -PYR CA CB sing N N 301 -PYR CB HB1 sing N N 302 -PYR CB HB2 sing N N 303 -PYR CB HB3 sing N N 304 -SAH N CA sing N N 305 -SAH N HN1 sing N N 306 -SAH N HN2 sing N N 307 -SAH CA CB sing N N 308 -SAH CA C sing N N 309 -SAH CA HA sing N N 310 -SAH CB CG sing N N 311 -SAH CB HB1 sing N N 312 -SAH CB HB2 sing N N 313 -SAH CG SD sing N N 314 -SAH CG HG1 sing N N 315 -SAH CG HG2 sing N N 316 -SAH SD "C5'" sing N N 317 -SAH C O doub N N 318 -SAH C OXT sing N N 319 -SAH OXT HXT sing N N 320 -SAH "C5'" "C4'" sing N N 321 -SAH "C5'" "H5'1" sing N N 322 -SAH "C5'" "H5'2" sing N N 323 -SAH "C4'" "O4'" sing N N 324 -SAH "C4'" "C3'" sing N N 325 -SAH "C4'" "H4'" sing N N 326 -SAH "O4'" "C1'" sing N N 327 -SAH "C3'" "O3'" sing N N 328 -SAH "C3'" "C2'" sing N N 329 -SAH "C3'" "H3'" sing N N 330 -SAH "O3'" "HO3'" sing N N 331 -SAH "C2'" "O2'" sing N N 332 -SAH "C2'" "C1'" sing N N 333 -SAH "C2'" "H2'" sing N N 334 -SAH "O2'" "HO2'" sing N N 335 -SAH "C1'" N9 sing N N 336 -SAH "C1'" "H1'" sing N N 337 -SAH N9 C8 sing Y N 338 -SAH N9 C4 sing Y N 339 -SAH C8 N7 doub Y N 340 -SAH C8 H8 sing N N 341 -SAH N7 C5 sing Y N 342 -SAH C5 C6 sing Y N 343 -SAH C5 C4 doub Y N 344 -SAH C6 N6 sing N N 345 -SAH C6 N1 doub Y N 346 -SAH N6 HN61 sing N N 347 -SAH N6 HN62 sing N N 348 -SAH N1 C2 sing Y N 349 -SAH C2 N3 doub Y N 350 -SAH C2 H2 sing N N 351 -SAH N3 C4 sing Y N 352 -SER N CA sing N N 353 -SER N H sing N N 354 -SER N H2 sing N N 355 -SER CA C sing N N 356 -SER CA CB sing N N 357 -SER CA HA sing N N 358 -SER C O doub N N 359 -SER C OXT sing N N 360 -SER CB OG sing N N 361 -SER CB HB2 sing N N 362 -SER CB HB3 sing N N 363 -SER OG HG sing N N 364 -SER OXT HXT sing N N 365 -SF4 FE1 S2 sing N N 366 -SF4 FE1 S3 sing N N 367 -SF4 FE1 S4 sing N N 368 -SF4 FE2 S1 sing N N 369 -SF4 FE2 S3 sing N N 370 -SF4 FE2 S4 sing N N 371 -SF4 FE3 S1 sing N N 372 -SF4 FE3 S2 sing N N 373 -SF4 FE3 S4 sing N N 374 -SF4 FE4 S1 sing N N 375 -SF4 FE4 S2 sing N N 376 -SF4 FE4 S3 sing N N 377 -THR N CA sing N N 378 -THR N H sing N N 379 -THR N H2 sing N N 380 -THR CA C sing N N 381 -THR CA CB sing N N 382 -THR CA HA sing N N 383 -THR C O doub N N 384 -THR C OXT sing N N 385 -THR CB OG1 sing N N 386 -THR CB CG2 sing N N 387 -THR CB HB sing N N 388 -THR OG1 HG1 sing N N 389 -THR CG2 HG21 sing N N 390 -THR CG2 HG22 sing N N 391 -THR CG2 HG23 sing N N 392 -THR OXT HXT sing N N 393 -TRP N CA sing N N 394 -TRP N H sing N N 395 -TRP N H2 sing N N 396 -TRP CA C sing N N 397 -TRP CA CB sing N N 398 -TRP CA HA sing N N 399 -TRP C O doub N N 400 -TRP C OXT sing N N 401 -TRP CB CG sing N N 402 -TRP CB HB2 sing N N 403 -TRP CB HB3 sing N N 404 -TRP CG CD1 doub Y N 405 -TRP CG CD2 sing Y N 406 -TRP CD1 NE1 sing Y N 407 -TRP CD1 HD1 sing N N 408 -TRP CD2 CE2 doub Y N 409 -TRP CD2 CE3 sing Y N 410 -TRP NE1 CE2 sing Y N 411 -TRP NE1 HE1 sing N N 412 -TRP CE2 CZ2 sing Y N 413 -TRP CE3 CZ3 doub Y N 414 -TRP CE3 HE3 sing N N 415 -TRP CZ2 CH2 doub Y N 416 -TRP CZ2 HZ2 sing N N 417 -TRP CZ3 CH2 sing Y N 418 -TRP CZ3 HZ3 sing N N 419 -TRP CH2 HH2 sing N N 420 -TRP OXT HXT sing N N 421 -TYR N CA sing N N 422 -TYR N H sing N N 423 -TYR N H2 sing N N 424 -TYR CA C sing N N 425 -TYR CA CB sing N N 426 -TYR CA HA sing N N 427 -TYR C O doub N N 428 -TYR C OXT sing N N 429 -TYR CB CG sing N N 430 -TYR CB HB2 sing N N 431 -TYR CB HB3 sing N N 432 -TYR CG CD1 doub Y N 433 -TYR CG CD2 sing Y N 434 -TYR CD1 CE1 sing Y N 435 -TYR CD1 HD1 sing N N 436 -TYR CD2 CE2 doub Y N 437 -TYR CD2 HD2 sing N N 438 -TYR CE1 CZ doub Y N 439 -TYR CE1 HE1 sing N N 440 -TYR CE2 CZ sing Y N 441 -TYR CE2 HE2 sing N N 442 -TYR CZ OH sing N N 443 -TYR OH HH sing N N 444 -TYR OXT HXT sing N N 445 -VAL N CA sing N N 446 -VAL N H sing N N 447 -VAL N H2 sing N N 448 -VAL CA C sing N N 449 -VAL CA CB sing N N 450 -VAL CA HA sing N N 451 -VAL C O doub N N 452 -VAL C OXT sing N N 453 -VAL CB CG1 sing N N 454 -VAL CB CG2 sing N N 455 -VAL CB HB sing N N 456 -VAL CG1 HG11 sing N N 457 -VAL CG1 HG12 sing N N 458 -VAL CG1 HG13 sing N N 459 -VAL CG2 HG21 sing N N 460 -VAL CG2 HG22 sing N N 461 -VAL CG2 HG23 sing N N 462 -VAL OXT HXT sing N N 463 +ALA N CA sing N N 1 +ALA N H sing N N 2 +ALA N H2 sing N N 3 +ALA CA C sing N N 4 +ALA CA CB sing N N 5 +ALA CA HA sing N N 6 +ALA C O doub N N 7 +ALA C OXT sing N N 8 +ALA CB HB1 sing N N 9 +ALA CB HB2 sing N N 10 +ALA CB HB3 sing N N 11 +ALA OXT HXT sing N N 12 +ARG N CA sing N N 13 +ARG N H sing N N 14 +ARG N H2 sing N N 15 +ARG CA C sing N N 16 +ARG CA CB sing N N 17 +ARG CA HA sing N N 18 +ARG C O doub N N 19 +ARG C OXT sing N N 20 +ARG CB CG sing N N 21 +ARG CB HB2 sing N N 22 +ARG CB HB3 sing N N 23 +ARG CG CD sing N N 24 +ARG CG HG2 sing N N 25 +ARG CG HG3 sing N N 26 +ARG CD NE sing N N 27 +ARG CD HD2 sing N N 28 +ARG CD HD3 sing N N 29 +ARG NE CZ sing N N 30 +ARG NE HE sing N N 31 +ARG CZ NH1 sing N N 32 +ARG CZ NH2 doub N N 33 +ARG NH1 HH11 sing N N 34 +ARG NH1 HH12 sing N N 35 +ARG NH2 HH21 sing N N 36 +ARG NH2 HH22 sing N N 37 +ARG OXT HXT sing N N 38 +ASN N CA sing N N 39 +ASN N H sing N N 40 +ASN N H2 sing N N 41 +ASN CA C sing N N 42 +ASN CA CB sing N N 43 +ASN CA HA sing N N 44 +ASN C O doub N N 45 +ASN C OXT sing N N 46 +ASN CB CG sing N N 47 +ASN CB HB2 sing N N 48 +ASN CB HB3 sing N N 49 +ASN CG OD1 doub N N 50 +ASN CG ND2 sing N N 51 +ASN ND2 HD21 sing N N 52 +ASN ND2 HD22 sing N N 53 +ASN OXT HXT sing N N 54 +ASP N CA sing N N 55 +ASP N H sing N N 56 +ASP N H2 sing N N 57 +ASP CA C sing N N 58 +ASP CA CB sing N N 59 +ASP CA HA sing N N 60 +ASP C O doub N N 61 +ASP C OXT sing N N 62 +ASP CB CG sing N N 63 +ASP CB HB2 sing N N 64 +ASP CB HB3 sing N N 65 +ASP CG OD1 doub N N 66 +ASP CG OD2 sing N N 67 +ASP OD2 HD2 sing N N 68 +ASP OXT HXT sing N N 69 +CMO C O trip N N 70 +CYN C N trip N N 71 +CYS N CA sing N N 72 +CYS N H sing N N 73 +CYS N H2 sing N N 74 +CYS CA C sing N N 75 +CYS CA CB sing N N 76 +CYS CA HA sing N N 77 +CYS C O doub N N 78 +CYS C OXT sing N N 79 +CYS CB SG sing N N 80 +CYS CB HB2 sing N N 81 +CYS CB HB3 sing N N 82 +CYS SG HG sing N N 83 +CYS OXT HXT sing N N 84 +GLN N CA sing N N 85 +GLN N H sing N N 86 +GLN N H2 sing N N 87 +GLN CA C sing N N 88 +GLN CA CB sing N N 89 +GLN CA HA sing N N 90 +GLN C O doub N N 91 +GLN C OXT sing N N 92 +GLN CB CG sing N N 93 +GLN CB HB2 sing N N 94 +GLN CB HB3 sing N N 95 +GLN CG CD sing N N 96 +GLN CG HG2 sing N N 97 +GLN CG HG3 sing N N 98 +GLN CD OE1 doub N N 99 +GLN CD NE2 sing N N 100 +GLN NE2 HE21 sing N N 101 +GLN NE2 HE22 sing N N 102 +GLN OXT HXT sing N N 103 +GLU N CA sing N N 104 +GLU N H sing N N 105 +GLU N H2 sing N N 106 +GLU CA C sing N N 107 +GLU CA CB sing N N 108 +GLU CA HA sing N N 109 +GLU C O doub N N 110 +GLU C OXT sing N N 111 +GLU CB CG sing N N 112 +GLU CB HB2 sing N N 113 +GLU CB HB3 sing N N 114 +GLU CG CD sing N N 115 +GLU CG HG2 sing N N 116 +GLU CG HG3 sing N N 117 +GLU CD OE1 doub N N 118 +GLU CD OE2 sing N N 119 +GLU OE2 HE2 sing N N 120 +GLU OXT HXT sing N N 121 +GLY N CA sing N N 122 +GLY N H sing N N 123 +GLY N H2 sing N N 124 +GLY CA C sing N N 125 +GLY CA HA2 sing N N 126 +GLY CA HA3 sing N N 127 +GLY C O doub N N 128 +GLY C OXT sing N N 129 +GLY OXT HXT sing N N 130 +GOL C1 O1 sing N N 131 +GOL C1 C2 sing N N 132 +GOL C1 H11 sing N N 133 +GOL C1 H12 sing N N 134 +GOL O1 HO1 sing N N 135 +GOL C2 O2 sing N N 136 +GOL C2 C3 sing N N 137 +GOL C2 H2 sing N N 138 +GOL O2 HO2 sing N N 139 +GOL C3 O3 sing N N 140 +GOL C3 H31 sing N N 141 +GOL C3 H32 sing N N 142 +GOL O3 HO3 sing N N 143 +HIS N CA sing N N 144 +HIS N H sing N N 145 +HIS N H2 sing N N 146 +HIS CA C sing N N 147 +HIS CA CB sing N N 148 +HIS CA HA sing N N 149 +HIS C O doub N N 150 +HIS C OXT sing N N 151 +HIS CB CG sing N N 152 +HIS CB HB2 sing N N 153 +HIS CB HB3 sing N N 154 +HIS CG ND1 sing Y N 155 +HIS CG CD2 doub Y N 156 +HIS ND1 CE1 doub Y N 157 +HIS ND1 HD1 sing N N 158 +HIS CD2 NE2 sing Y N 159 +HIS CD2 HD2 sing N N 160 +HIS CE1 NE2 sing Y N 161 +HIS CE1 HE1 sing N N 162 +HIS NE2 HE2 sing N N 163 +HIS OXT HXT sing N N 164 +HOH O H1 sing N N 165 +HOH O H2 sing N N 166 +ILE N CA sing N N 167 +ILE N H sing N N 168 +ILE N H2 sing N N 169 +ILE CA C sing N N 170 +ILE CA CB sing N N 171 +ILE CA HA sing N N 172 +ILE C O doub N N 173 +ILE C OXT sing N N 174 +ILE CB CG1 sing N N 175 +ILE CB CG2 sing N N 176 +ILE CB HB sing N N 177 +ILE CG1 CD1 sing N N 178 +ILE CG1 HG12 sing N N 179 +ILE CG1 HG13 sing N N 180 +ILE CG2 HG21 sing N N 181 +ILE CG2 HG22 sing N N 182 +ILE CG2 HG23 sing N N 183 +ILE CD1 HD11 sing N N 184 +ILE CD1 HD12 sing N N 185 +ILE CD1 HD13 sing N N 186 +ILE OXT HXT sing N N 187 +LEU N CA sing N N 188 +LEU N H sing N N 189 +LEU N H2 sing N N 190 +LEU CA C sing N N 191 +LEU CA CB sing N N 192 +LEU CA HA sing N N 193 +LEU C O doub N N 194 +LEU C OXT sing N N 195 +LEU CB CG sing N N 196 +LEU CB HB2 sing N N 197 +LEU CB HB3 sing N N 198 +LEU CG CD1 sing N N 199 +LEU CG CD2 sing N N 200 +LEU CG HG sing N N 201 +LEU CD1 HD11 sing N N 202 +LEU CD1 HD12 sing N N 203 +LEU CD1 HD13 sing N N 204 +LEU CD2 HD21 sing N N 205 +LEU CD2 HD22 sing N N 206 +LEU CD2 HD23 sing N N 207 +LEU OXT HXT sing N N 208 +LYS N CA sing N N 209 +LYS N H sing N N 210 +LYS N H2 sing N N 211 +LYS CA C sing N N 212 +LYS CA CB sing N N 213 +LYS CA HA sing N N 214 +LYS C O doub N N 215 +LYS C OXT sing N N 216 +LYS CB CG sing N N 217 +LYS CB HB2 sing N N 218 +LYS CB HB3 sing N N 219 +LYS CG CD sing N N 220 +LYS CG HG2 sing N N 221 +LYS CG HG3 sing N N 222 +LYS CD CE sing N N 223 +LYS CD HD2 sing N N 224 +LYS CD HD3 sing N N 225 +LYS CE NZ sing N N 226 +LYS CE HE2 sing N N 227 +LYS CE HE3 sing N N 228 +LYS NZ HZ1 sing N N 229 +LYS NZ HZ2 sing N N 230 +LYS NZ HZ3 sing N N 231 +LYS OXT HXT sing N N 232 +MET N CA sing N N 233 +MET N H sing N N 234 +MET N H2 sing N N 235 +MET CA C sing N N 236 +MET CA CB sing N N 237 +MET CA HA sing N N 238 +MET C O doub N N 239 +MET C OXT sing N N 240 +MET CB CG sing N N 241 +MET CB HB2 sing N N 242 +MET CB HB3 sing N N 243 +MET CG SD sing N N 244 +MET CG HG2 sing N N 245 +MET CG HG3 sing N N 246 +MET SD CE sing N N 247 +MET CE HE1 sing N N 248 +MET CE HE2 sing N N 249 +MET CE HE3 sing N N 250 +MET OXT HXT sing N N 251 +PHE N CA sing N N 252 +PHE N H sing N N 253 +PHE N H2 sing N N 254 +PHE CA C sing N N 255 +PHE CA CB sing N N 256 +PHE CA HA sing N N 257 +PHE C O doub N N 258 +PHE C OXT sing N N 259 +PHE CB CG sing N N 260 +PHE CB HB2 sing N N 261 +PHE CB HB3 sing N N 262 +PHE CG CD1 doub Y N 263 +PHE CG CD2 sing Y N 264 +PHE CD1 CE1 sing Y N 265 +PHE CD1 HD1 sing N N 266 +PHE CD2 CE2 doub Y N 267 +PHE CD2 HD2 sing N N 268 +PHE CE1 CZ doub Y N 269 +PHE CE1 HE1 sing N N 270 +PHE CE2 CZ sing Y N 271 +PHE CE2 HE2 sing N N 272 +PHE CZ HZ sing N N 273 +PHE OXT HXT sing N N 274 +PO4 P O1 doub N N 275 +PO4 P O2 sing N N 276 +PO4 P O3 sing N N 277 +PO4 P O4 sing N N 278 +PRO N CA sing N N 279 +PRO N CD sing N N 280 +PRO N H sing N N 281 +PRO CA C sing N N 282 +PRO CA CB sing N N 283 +PRO CA HA sing N N 284 +PRO C O doub N N 285 +PRO C OXT sing N N 286 +PRO CB CG sing N N 287 +PRO CB HB2 sing N N 288 +PRO CB HB3 sing N N 289 +PRO CG CD sing N N 290 +PRO CG HG2 sing N N 291 +PRO CG HG3 sing N N 292 +PRO CD HD2 sing N N 293 +PRO CD HD3 sing N N 294 +PRO OXT HXT sing N N 295 +PYR C O doub N N 296 +PYR C OXT sing N N 297 +PYR C CA sing N N 298 +PYR OXT HXT sing N N 299 +PYR CA O3 doub N N 300 +PYR CA CB sing N N 301 +PYR CB HB1 sing N N 302 +PYR CB HB2 sing N N 303 +PYR CB HB3 sing N N 304 +SAH N CA sing N N 305 +SAH N HN1 sing N N 306 +SAH N HN2 sing N N 307 +SAH CA CB sing N N 308 +SAH CA C sing N N 309 +SAH CA HA sing N N 310 +SAH CB CG sing N N 311 +SAH CB HB1 sing N N 312 +SAH CB HB2 sing N N 313 +SAH CG SD sing N N 314 +SAH CG HG1 sing N N 315 +SAH CG HG2 sing N N 316 +SAH SD C5' sing N N 317 +SAH C O doub N N 318 +SAH C OXT sing N N 319 +SAH OXT HXT sing N N 320 +SAH C5' C4' sing N N 321 +SAH C5' H5'1 sing N N 322 +SAH C5' H5'2 sing N N 323 +SAH C4' O4' sing N N 324 +SAH C4' C3' sing N N 325 +SAH C4' H4' sing N N 326 +SAH O4' C1' sing N N 327 +SAH C3' O3' sing N N 328 +SAH C3' C2' sing N N 329 +SAH C3' H3' sing N N 330 +SAH O3' HO3' sing N N 331 +SAH C2' O2' sing N N 332 +SAH C2' C1' sing N N 333 +SAH C2' H2' sing N N 334 +SAH O2' HO2' sing N N 335 +SAH C1' N9 sing N N 336 +SAH C1' H1' sing N N 337 +SAH N9 C8 sing Y N 338 +SAH N9 C4 sing Y N 339 +SAH C8 N7 doub Y N 340 +SAH C8 H8 sing N N 341 +SAH N7 C5 sing Y N 342 +SAH C5 C6 sing Y N 343 +SAH C5 C4 doub Y N 344 +SAH C6 N6 sing N N 345 +SAH C6 N1 doub Y N 346 +SAH N6 HN61 sing N N 347 +SAH N6 HN62 sing N N 348 +SAH N1 C2 sing Y N 349 +SAH C2 N3 doub Y N 350 +SAH C2 H2 sing N N 351 +SAH N3 C4 sing Y N 352 +SER N CA sing N N 353 +SER N H sing N N 354 +SER N H2 sing N N 355 +SER CA C sing N N 356 +SER CA CB sing N N 357 +SER CA HA sing N N 358 +SER C O doub N N 359 +SER C OXT sing N N 360 +SER CB OG sing N N 361 +SER CB HB2 sing N N 362 +SER CB HB3 sing N N 363 +SER OG HG sing N N 364 +SER OXT HXT sing N N 365 +SF4 FE1 S2 sing N N 366 +SF4 FE1 S3 sing N N 367 +SF4 FE1 S4 sing N N 368 +SF4 FE2 S1 sing N N 369 +SF4 FE2 S3 sing N N 370 +SF4 FE2 S4 sing N N 371 +SF4 FE3 S1 sing N N 372 +SF4 FE3 S2 sing N N 373 +SF4 FE3 S4 sing N N 374 +SF4 FE4 S1 sing N N 375 +SF4 FE4 S2 sing N N 376 +SF4 FE4 S3 sing N N 377 +THR N CA sing N N 378 +THR N H sing N N 379 +THR N H2 sing N N 380 +THR CA C sing N N 381 +THR CA CB sing N N 382 +THR CA HA sing N N 383 +THR C O doub N N 384 +THR C OXT sing N N 385 +THR CB OG1 sing N N 386 +THR CB CG2 sing N N 387 +THR CB HB sing N N 388 +THR OG1 HG1 sing N N 389 +THR CG2 HG21 sing N N 390 +THR CG2 HG22 sing N N 391 +THR CG2 HG23 sing N N 392 +THR OXT HXT sing N N 393 +TRP N CA sing N N 394 +TRP N H sing N N 395 +TRP N H2 sing N N 396 +TRP CA C sing N N 397 +TRP CA CB sing N N 398 +TRP CA HA sing N N 399 +TRP C O doub N N 400 +TRP C OXT sing N N 401 +TRP CB CG sing N N 402 +TRP CB HB2 sing N N 403 +TRP CB HB3 sing N N 404 +TRP CG CD1 doub Y N 405 +TRP CG CD2 sing Y N 406 +TRP CD1 NE1 sing Y N 407 +TRP CD1 HD1 sing N N 408 +TRP CD2 CE2 doub Y N 409 +TRP CD2 CE3 sing Y N 410 +TRP NE1 CE2 sing Y N 411 +TRP NE1 HE1 sing N N 412 +TRP CE2 CZ2 sing Y N 413 +TRP CE3 CZ3 doub Y N 414 +TRP CE3 HE3 sing N N 415 +TRP CZ2 CH2 doub Y N 416 +TRP CZ2 HZ2 sing N N 417 +TRP CZ3 CH2 sing Y N 418 +TRP CZ3 HZ3 sing N N 419 +TRP CH2 HH2 sing N N 420 +TRP OXT HXT sing N N 421 +TYR N CA sing N N 422 +TYR N H sing N N 423 +TYR N H2 sing N N 424 +TYR CA C sing N N 425 +TYR CA CB sing N N 426 +TYR CA HA sing N N 427 +TYR C O doub N N 428 +TYR C OXT sing N N 429 +TYR CB CG sing N N 430 +TYR CB HB2 sing N N 431 +TYR CB HB3 sing N N 432 +TYR CG CD1 doub Y N 433 +TYR CG CD2 sing Y N 434 +TYR CD1 CE1 sing Y N 435 +TYR CD1 HD1 sing N N 436 +TYR CD2 CE2 doub Y N 437 +TYR CD2 HD2 sing N N 438 +TYR CE1 CZ doub Y N 439 +TYR CE1 HE1 sing N N 440 +TYR CE2 CZ sing Y N 441 +TYR CE2 HE2 sing N N 442 +TYR CZ OH sing N N 443 +TYR OH HH sing N N 444 +TYR OXT HXT sing N N 445 +VAL N CA sing N N 446 +VAL N H sing N N 447 +VAL N H2 sing N N 448 +VAL CA C sing N N 449 +VAL CA CB sing N N 450 +VAL CA HA sing N N 451 +VAL C O doub N N 452 +VAL C OXT sing N N 453 +VAL CB CG1 sing N N 454 +VAL CB CG2 sing N N 455 +VAL CB HB sing N N 456 +VAL CG1 HG11 sing N N 457 +VAL CG1 HG12 sing N N 458 +VAL CG1 HG13 sing N N 459 +VAL CG2 HG21 sing N N 460 +VAL CG2 HG22 sing N N 461 +VAL CG2 HG23 sing N N 462 +VAL OXT HXT sing N N 463 # loop_ _pdbx_audit_support.funding_organization @@ -3734,6543 +3763,6543 @@ _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . MET A 1 1 ? 38.148 15.945 -39.073 0.79 41.59 ? -9 MET A N 1 -ATOM 2 C CA . MET A 1 1 ? 36.885 15.610 -38.335 0.79 76.65 ? -9 MET A CA 1 -ATOM 3 C C . MET A 1 1 ? 37.158 14.603 -37.223 0.79 73.14 ? -9 MET A C 1 -ATOM 4 O O . MET A 1 1 ? 37.995 13.711 -37.337 0.79 78.18 ? -9 MET A O 1 -ATOM 5 C CB . MET A 1 1 ? 35.785 15.067 -39.263 0.79 41.40 ? -9 MET A CB 1 -ATOM 6 C CG . MET A 1 1 ? 34.440 14.758 -38.636 0.79 36.33 ? -9 MET A CG 1 -ATOM 7 S SD . MET A 1 1 ? 33.713 16.096 -37.624 0.79 36.00 ? -9 MET A SD 1 -ATOM 8 C CE . MET A 1 1 ? 33.668 17.430 -38.787 0.79 35.87 ? -9 MET A CE 1 -ATOM 9 H H1 . MET A 1 1 ? 37.959 16.487 -39.754 0.79 49.91 ? -9 MET A H1 1 -ATOM 10 H H2 . MET A 1 1 ? 38.716 16.350 -38.521 0.79 49.91 ? -9 MET A H2 1 -ATOM 11 H H3 . MET A 1 1 ? 38.517 15.197 -39.383 0.79 49.91 ? -9 MET A H3 1 -ATOM 12 H HA . MET A 1 1 ? 36.546 16.437 -37.957 0.79 91.98 ? -9 MET A HA 1 -ATOM 13 H HB2 . MET A 1 1 ? 35.628 15.726 -39.957 0.79 49.68 ? -9 MET A HB2 1 -ATOM 14 H HB3 . MET A 1 1 ? 36.108 14.241 -39.657 0.79 49.68 ? -9 MET A HB3 1 -ATOM 15 H HG2 . MET A 1 1 ? 33.810 14.562 -39.348 0.79 43.60 ? -9 MET A HG2 1 -ATOM 16 H HG3 . MET A 1 1 ? 34.542 13.985 -38.061 0.79 43.60 ? -9 MET A HG3 1 -ATOM 17 H HE1 . MET A 1 1 ? 33.292 18.213 -38.354 0.79 43.05 ? -9 MET A HE1 1 -ATOM 18 H HE2 . MET A 1 1 ? 34.571 17.619 -39.086 0.79 43.05 ? -9 MET A HE2 1 -ATOM 19 H HE3 . MET A 1 1 ? 33.116 17.172 -39.542 0.79 43.05 ? -9 MET A HE3 1 -ATOM 20 N N . TRP A 1 2 ? 36.397 14.756 -36.154 1.00 51.72 ? -8 TRP A N 1 -ATOM 21 C CA . TRP A 1 2 ? 36.576 14.031 -34.911 1.00 37.95 ? -8 TRP A CA 1 -ATOM 22 C C . TRP A 1 2 ? 35.234 13.355 -34.569 1.00 60.47 ? -8 TRP A C 1 -ATOM 23 O O . TRP A 1 2 ? 34.200 13.590 -35.212 1.00 39.40 ? -8 TRP A O 1 -ATOM 24 C CB . TRP A 1 2 ? 36.969 15.024 -33.802 1.00 41.92 ? -8 TRP A CB 1 -ATOM 25 C CG . TRP A 1 2 ? 35.911 16.127 -33.579 1.00 49.10 ? -8 TRP A CG 1 -ATOM 26 C CD1 . TRP A 1 2 ? 34.842 16.078 -32.737 1.00 41.65 ? -8 TRP A CD1 1 -ATOM 27 C CD2 . TRP A 1 2 ? 35.847 17.403 -34.224 1.00 37.75 ? -8 TRP A CD2 1 -ATOM 28 N NE1 . TRP A 1 2 ? 34.110 17.246 -32.808 1.00 42.91 ? -8 TRP A NE1 1 -ATOM 29 C CE2 . TRP A 1 2 ? 34.703 18.069 -33.725 1.00 45.83 ? -8 TRP A CE2 1 -ATOM 30 C CE3 . TRP A 1 2 ? 36.639 18.044 -35.193 1.00 41.88 ? -8 TRP A CE3 1 -ATOM 31 C CZ2 . TRP A 1 2 ? 34.342 19.349 -34.141 1.00 44.65 ? -8 TRP A CZ2 1 -ATOM 32 C CZ3 . TRP A 1 2 ? 36.273 19.312 -35.607 1.00 82.58 ? -8 TRP A CZ3 1 -ATOM 33 C CH2 . TRP A 1 2 ? 35.132 19.948 -35.084 1.00 66.00 ? -8 TRP A CH2 1 -ATOM 34 H H . TRP A 1 2 ? 35.735 15.304 -36.123 1.00 62.07 ? -8 TRP A H 1 -ATOM 35 H HA . TRP A 1 2 ? 37.261 13.348 -34.986 1.00 45.54 ? -8 TRP A HA 1 -ATOM 36 H HB2 . TRP A 1 2 ? 37.077 14.539 -32.969 1.00 50.30 ? -8 TRP A HB2 1 -ATOM 37 H HB3 . TRP A 1 2 ? 37.804 15.454 -34.046 1.00 50.30 ? -8 TRP A HB3 1 -ATOM 38 H HD1 . TRP A 1 2 ? 34.633 15.356 -32.190 1.00 49.98 ? -8 TRP A HD1 1 -ATOM 39 H HE1 . TRP A 1 2 ? 33.403 17.426 -32.353 1.00 51.50 ? -8 TRP A HE1 1 -ATOM 40 H HE3 . TRP A 1 2 ? 37.391 17.625 -35.547 1.00 50.25 ? -8 TRP A HE3 1 -ATOM 41 H HZ2 . TRP A 1 2 ? 33.594 19.778 -33.792 1.00 53.58 ? -8 TRP A HZ2 1 -ATOM 42 H HZ3 . TRP A 1 2 ? 36.789 19.751 -36.244 1.00 99.10 ? -8 TRP A HZ3 1 -ATOM 43 H HH2 . TRP A 1 2 ? 34.909 20.799 -35.386 1.00 79.20 ? -8 TRP A HH2 1 -ATOM 44 N N . SER A 1 3 ? 35.238 12.526 -33.522 1.00 29.85 ? -7 SER A N 1 -ATOM 45 C CA A SER A 1 3 ? 34.091 11.739 -33.112 0.63 28.25 ? -7 SER A CA 1 -ATOM 46 C CA B SER A 1 3 ? 34.095 11.738 -33.109 0.37 28.25 ? -7 SER A CA 1 -ATOM 47 C C . SER A 1 3 ? 33.087 12.601 -32.344 1.00 27.43 ? -7 SER A C 1 -ATOM 48 O O . SER A 1 3 ? 33.363 13.725 -31.927 1.00 36.37 ? -7 SER A O 1 -ATOM 49 C CB A SER A 1 3 ? 34.537 10.559 -32.252 0.63 38.49 ? -7 SER A CB 1 -ATOM 50 C CB B SER A 1 3 ? 34.570 10.572 -32.243 0.37 36.36 ? -7 SER A CB 1 -ATOM 51 O OG A SER A 1 3 ? 33.445 9.699 -31.985 0.63 63.39 ? -7 SER A OG 1 -ATOM 52 O OG B SER A 1 3 ? 35.205 11.043 -31.066 0.37 62.85 ? -7 SER A OG 1 -ATOM 53 H H . SER A 1 3 ? 35.923 12.401 -33.017 1.00 35.82 ? -7 SER A H 1 -ATOM 54 H HA . SER A 1 3 ? 33.648 11.394 -33.902 1.00 33.90 ? -7 SER A HA 1 -ATOM 55 H HB2 A SER A 1 3 ? 35.223 10.064 -32.725 0.63 46.19 ? -7 SER A HB2 1 -ATOM 56 H HB2 B SER A 1 3 ? 33.804 10.031 -31.994 0.37 43.64 ? -7 SER A HB2 1 -ATOM 57 H HB3 A SER A 1 3 ? 34.889 10.894 -31.412 0.63 46.19 ? -7 SER A HB3 1 -ATOM 58 H HB3 B SER A 1 3 ? 35.202 10.039 -32.751 0.37 43.64 ? -7 SER A HB3 1 -ATOM 59 H HG A SER A 1 3 ? 33.692 9.068 -31.488 0.63 76.07 ? -7 SER A HG 1 -ATOM 60 H HG B SER A 1 3 ? 34.661 11.488 -30.605 0.37 75.43 ? -7 SER A HG 1 -ATOM 61 N N . HIS A 1 4 ? 31.903 12.063 -32.172 1.00 26.34 ? -6 HIS A N 1 -ATOM 62 C CA . HIS A 1 4 ? 30.834 12.761 -31.484 1.00 25.69 ? -6 HIS A CA 1 -ATOM 63 C C . HIS A 1 4 ? 30.056 11.791 -30.615 1.00 24.36 ? -6 HIS A C 1 -ATOM 64 O O . HIS A 1 4 ? 28.874 11.508 -30.852 1.00 27.57 ? -6 HIS A O 1 -ATOM 65 C CB . HIS A 1 4 ? 29.885 13.431 -32.497 1.00 31.17 ? -6 HIS A CB 1 -ATOM 66 C CG . HIS A 1 4 ? 28.911 14.393 -31.898 1.00 33.72 ? -6 HIS A CG 1 -ATOM 67 N ND1 . HIS A 1 4 ? 29.313 15.567 -31.292 1.00 32.82 ? -6 HIS A ND1 1 -ATOM 68 C CD2 . HIS A 1 4 ? 27.558 14.413 -31.907 1.00 40.60 ? -6 HIS A CD2 1 -ATOM 69 C CE1 . HIS A 1 4 ? 28.243 16.251 -30.931 1.00 30.94 ? -6 HIS A CE1 1 -ATOM 70 N NE2 . HIS A 1 4 ? 27.162 15.556 -31.248 1.00 30.54 ? -6 HIS A NE2 1 -ATOM 71 H H . HIS A 1 4 ? 31.685 11.278 -32.450 1.00 31.61 ? -6 HIS A H 1 -ATOM 72 H HA . HIS A 1 4 ? 31.233 13.434 -30.910 1.00 30.83 ? -6 HIS A HA 1 -ATOM 73 H HB2 . HIS A 1 4 ? 30.418 13.919 -33.143 1.00 37.40 ? -6 HIS A HB2 1 -ATOM 74 H HB3 . HIS A 1 4 ? 29.374 12.738 -32.945 1.00 37.40 ? -6 HIS A HB3 1 -ATOM 75 H HD1 . HIS A 1 4 ? 30.128 15.812 -31.169 1.00 39.38 ? -6 HIS A HD1 1 -ATOM 76 H HD2 . HIS A 1 4 ? 27.000 13.774 -32.287 1.00 48.72 ? -6 HIS A HD2 1 -ATOM 77 H HE1 . HIS A 1 4 ? 28.248 17.085 -30.521 1.00 37.12 ? -6 HIS A HE1 1 -ATOM 78 N N . PRO A 1 5 ? 30.646 11.321 -29.516 1.00 25.28 ? -5 PRO A N 1 -ATOM 79 C CA . PRO A 1 5 ? 29.930 10.356 -28.687 1.00 24.96 ? -5 PRO A CA 1 -ATOM 80 C C . PRO A 1 5 ? 28.873 10.989 -27.816 1.00 24.39 ? -5 PRO A C 1 -ATOM 81 O O . PRO A 1 5 ? 28.908 12.182 -27.520 1.00 30.77 ? -5 PRO A O 1 -ATOM 82 C CB . PRO A 1 5 ? 31.044 9.786 -27.805 1.00 26.01 ? -5 PRO A CB 1 -ATOM 83 C CG . PRO A 1 5 ? 32.069 10.791 -27.814 1.00 27.78 ? -5 PRO A CG 1 -ATOM 84 C CD . PRO A 1 5 ? 31.989 11.621 -29.065 1.00 27.01 ? -5 PRO A CD 1 -ATOM 85 H HA . PRO A 1 5 ? 29.526 9.673 -29.245 1.00 29.95 ? -5 PRO A HA 1 -ATOM 86 H HB2 . PRO A 1 5 ? 30.711 9.636 -26.907 1.00 31.22 ? -5 PRO A HB2 1 -ATOM 87 H HB3 . PRO A 1 5 ? 31.370 8.953 -28.181 1.00 31.22 ? -5 PRO A HB3 1 -ATOM 88 H HG2 . PRO A 1 5 ? 31.947 11.360 -27.038 1.00 33.34 ? -5 PRO A HG2 1 -ATOM 89 H HG3 . PRO A 1 5 ? 32.931 10.350 -27.771 1.00 33.34 ? -5 PRO A HG3 1 -ATOM 90 H HD2 . PRO A 1 5 ? 32.094 12.565 -28.870 1.00 32.41 ? -5 PRO A HD2 1 -ATOM 91 H HD3 . PRO A 1 5 ? 32.651 11.341 -29.717 1.00 32.41 ? -5 PRO A HD3 1 -ATOM 92 N N . GLN A 1 6 ? 27.874 10.185 -27.464 1.00 23.78 ? -4 GLN A N 1 -ATOM 93 C CA . GLN A 1 6 ? 26.799 10.587 -26.595 1.00 23.02 ? -4 GLN A CA 1 -ATOM 94 C C . GLN A 1 6 ? 27.211 10.457 -25.129 1.00 24.25 ? -4 GLN A C 1 -ATOM 95 O O . GLN A 1 6 ? 28.094 9.691 -24.801 1.00 27.41 ? -4 GLN A O 1 -ATOM 96 C CB . GLN A 1 6 ? 25.610 9.660 -26.823 1.00 24.39 ? -4 GLN A CB 1 -ATOM 97 C CG . GLN A 1 6 ? 24.956 9.818 -28.220 1.00 37.55 ? -4 GLN A CG 1 -ATOM 98 H H . GLN A 1 6 ? 27.802 9.371 -27.731 1.00 28.54 ? -4 GLN A H 1 -ATOM 99 H HA . GLN A 1 6 ? 26.562 11.509 -26.779 1.00 27.62 ? -4 GLN A HA 1 -ATOM 100 H HB2 . GLN A 1 6 ? 25.908 8.742 -26.738 1.00 29.27 ? -4 GLN A HB2 1 -ATOM 101 H HB3 . GLN A 1 6 ? 24.932 9.852 -26.155 1.00 29.27 ? -4 GLN A HB3 1 -ATOM 102 N N . PHE A 1 7 ? 26.523 11.190 -24.294 1.00 24.25 ? -3 PHE A N 1 -ATOM 103 C CA . PHE A 1 7 ? 26.769 11.152 -22.851 1.00 23.83 ? -3 PHE A CA 1 -ATOM 104 C C . PHE A 1 7 ? 26.070 9.960 -22.223 1.00 26.94 ? -3 PHE A C 1 -ATOM 105 O O . PHE A 1 7 ? 25.039 9.480 -22.696 1.00 28.29 ? -3 PHE A O 1 -ATOM 106 C CB . PHE A 1 7 ? 26.202 12.430 -22.239 1.00 22.45 ? -3 PHE A CB 1 -ATOM 107 C CG . PHE A 1 7 ? 26.994 13.655 -22.589 1.00 22.39 ? -3 PHE A CG 1 -ATOM 108 C CD1 . PHE A 1 7 ? 28.253 13.859 -22.148 1.00 22.48 ? -3 PHE A CD1 1 -ATOM 109 C CD2 . PHE A 1 7 ? 26.445 14.634 -23.393 1.00 48.10 ? -3 PHE A CD2 1 -ATOM 110 C CE1 . PHE A 1 7 ? 28.984 14.967 -22.405 1.00 23.69 ? -3 PHE A CE1 1 -ATOM 111 C CE2 . PHE A 1 7 ? 27.189 15.774 -23.716 1.00 40.66 ? -3 PHE A CE2 1 -ATOM 112 C CZ . PHE A 1 7 ? 28.451 15.934 -23.212 1.00 36.70 ? -3 PHE A CZ 1 -ATOM 113 H H . PHE A 1 7 ? 25.896 11.730 -24.527 1.00 29.11 ? -3 PHE A H 1 -ATOM 114 H HA . PHE A 1 7 ? 27.719 11.078 -22.668 1.00 28.60 ? -3 PHE A HA 1 -ATOM 115 H HB2 . PHE A 1 7 ? 25.297 12.558 -22.562 1.00 26.95 ? -3 PHE A HB2 1 -ATOM 116 H HB3 . PHE A 1 7 ? 26.200 12.342 -21.273 1.00 26.95 ? -3 PHE A HB3 1 -ATOM 117 H HD1 . PHE A 1 7 ? 28.644 13.192 -21.631 1.00 26.97 ? -3 PHE A HD1 1 -ATOM 118 H HD2 . PHE A 1 7 ? 25.580 14.536 -23.720 1.00 57.71 ? -3 PHE A HD2 1 -ATOM 119 H HE1 . PHE A 1 7 ? 29.834 15.069 -22.041 1.00 28.43 ? -3 PHE A HE1 1 -ATOM 120 H HE2 . PHE A 1 7 ? 26.825 16.423 -24.275 1.00 48.79 ? -3 PHE A HE2 1 -ATOM 121 H HZ . PHE A 1 7 ? 28.942 16.696 -23.416 1.00 44.04 ? -3 PHE A HZ 1 -ATOM 122 N N . GLU A 1 8 ? 26.632 9.501 -21.115 1.00 25.59 ? -2 GLU A N 1 -ATOM 123 C CA . GLU A 1 8 ? 26.009 8.428 -20.348 1.00 29.53 ? -2 GLU A CA 1 -ATOM 124 C C . GLU A 1 8 ? 24.610 8.778 -19.864 1.00 26.25 ? -2 GLU A C 1 -ATOM 125 O O . GLU A 1 8 ? 24.321 9.884 -19.391 1.00 25.07 ? -2 GLU A O 1 -ATOM 126 C CB . GLU A 1 8 ? 26.922 8.090 -19.165 1.00 29.58 ? -2 GLU A CB 1 -ATOM 127 C CG . GLU A 1 8 ? 26.626 6.753 -18.496 1.00 69.91 ? -2 GLU A CG 1 -ATOM 128 C CD . GLU A 1 8 ? 25.582 6.852 -17.405 1.00 107.80 ? -2 GLU A CD 1 -ATOM 129 O OE1 . GLU A 1 8 ? 25.557 7.881 -16.687 1.00 49.86 ? -2 GLU A OE1 1 -ATOM 130 O OE2 . GLU A 1 8 ? 24.789 5.892 -17.262 1.00 36.84 ? -2 GLU A OE2 1 -ATOM 131 H H . GLU A 1 8 ? 27.371 9.791 -20.785 1.00 30.70 ? -2 GLU A H 1 -ATOM 132 H HA . GLU A 1 8 ? 25.899 7.650 -20.917 1.00 35.44 ? -2 GLU A HA 1 -ATOM 133 H HB2 . GLU A 1 8 ? 27.839 8.062 -19.480 1.00 35.50 ? -2 GLU A HB2 1 -ATOM 134 H HB3 . GLU A 1 8 ? 26.824 8.781 -18.491 1.00 35.50 ? -2 GLU A HB3 1 -ATOM 135 H HG2 . GLU A 1 8 ? 26.299 6.132 -19.166 1.00 83.90 ? -2 GLU A HG2 1 -ATOM 136 H HG3 . GLU A 1 8 ? 27.442 6.412 -18.098 1.00 83.90 ? -2 GLU A HG3 1 -ATOM 137 N N . LYS A 1 9 ? 23.739 7.751 -19.850 1.00 28.53 ? -1 LYS A N 1 -ATOM 138 C CA . LYS A 1 9 ? 22.313 7.942 -19.606 1.00 28.31 ? -1 LYS A CA 1 -ATOM 139 C C . LYS A 1 9 ? 21.967 8.358 -18.174 1.00 23.68 ? -1 LYS A C 1 -ATOM 140 O O . LYS A 1 9 ? 21.176 9.268 -17.966 1.00 25.84 ? -1 LYS A O 1 -ATOM 141 C CB . LYS A 1 9 ? 21.569 6.649 -19.990 1.00 29.13 ? -1 LYS A CB 1 -ATOM 142 C CG . LYS A 1 9 ? 21.697 6.312 -21.459 1.00 40.70 ? -1 LYS A CG 1 -ATOM 143 H H . LYS A 1 9 ? 23.958 6.929 -19.982 1.00 34.23 ? -1 LYS A H 1 -ATOM 144 H HA . LYS A 1 9 ? 22.018 8.679 -20.163 1.00 33.97 ? -1 LYS A HA 1 -ATOM 145 H HB2 . LYS A 1 9 ? 21.936 5.910 -19.480 1.00 34.96 ? -1 LYS A HB2 1 -ATOM 146 H HB3 . LYS A 1 9 ? 20.626 6.755 -19.788 1.00 34.96 ? -1 LYS A HB3 1 -ATOM 147 N N . ALA A 1 10 ? 22.541 7.700 -17.158 1.00 27.77 ? 0 ALA A N 1 -ATOM 148 C CA . ALA A 1 10 ? 22.168 8.046 -15.794 1.00 32.88 ? 0 ALA A CA 1 -ATOM 149 C C . ALA A 1 10 ? 22.572 9.480 -15.477 1.00 25.14 ? 0 ALA A C 1 -ATOM 150 O O . ALA A 1 10 ? 21.811 10.220 -14.860 1.00 26.67 ? 0 ALA A O 1 -ATOM 151 C CB . ALA A 1 10 ? 22.841 7.093 -14.797 1.00 40.14 ? 0 ALA A CB 1 -ATOM 152 H H . ALA A 1 10 ? 23.125 7.074 -17.235 1.00 33.33 ? 0 ALA A H 1 -ATOM 153 H HA . ALA A 1 10 ? 21.206 7.955 -15.702 1.00 39.45 ? 0 ALA A HA 1 -ATOM 154 H HB1 . ALA A 1 10 ? 22.582 7.344 -13.897 1.00 48.16 ? 0 ALA A HB1 1 -ATOM 155 H HB2 . ALA A 1 10 ? 22.552 6.186 -14.984 1.00 48.16 ? 0 ALA A HB2 1 -ATOM 156 H HB3 . ALA A 1 10 ? 23.803 7.161 -14.896 1.00 48.16 ? 0 ALA A HB3 1 -ATOM 157 N N . SER A 1 11 ? 23.757 9.886 -15.915 1.00 29.79 ? 1 SER A N 1 -ATOM 158 C CA . SER A 1 11 ? 24.198 11.235 -15.579 1.00 27.03 ? 1 SER A CA 1 -ATOM 159 C C . SER A 1 11 ? 23.384 12.274 -16.340 1.00 23.91 ? 1 SER A C 1 -ATOM 160 O O . SER A 1 11 ? 22.950 13.267 -15.741 1.00 24.82 ? 1 SER A O 1 -ATOM 161 C CB . SER A 1 11 ? 25.659 11.439 -15.899 1.00 32.94 ? 1 SER A CB 1 -ATOM 162 O OG . SER A 1 11 ? 25.972 12.758 -15.498 1.00 30.22 ? 1 SER A OG 1 -ATOM 163 H H . SER A 1 11 ? 24.304 9.420 -16.388 1.00 35.75 ? 1 SER A H 1 -ATOM 164 H HA . SER A 1 11 ? 24.080 11.349 -14.623 1.00 32.44 ? 1 SER A HA 1 -ATOM 165 H HB2 . SER A 1 11 ? 26.201 10.803 -15.407 1.00 39.53 ? 1 SER A HB2 1 -ATOM 166 H HB3 . SER A 1 11 ? 25.810 11.336 -16.852 1.00 39.53 ? 1 SER A HB3 1 -ATOM 167 H HG . SER A 1 11 ? 26.741 12.964 -15.764 1.00 36.27 ? 1 SER A HG 1 -ATOM 168 N N . THR A 1 12 ? 23.071 11.994 -17.619 1.00 24.48 ? 2 THR A N 1 -ATOM 169 C CA . THR A 1 12 ? 22.142 12.835 -18.388 1.00 22.44 ? 2 THR A CA 1 -ATOM 170 C C . THR A 1 12 ? 20.800 12.944 -17.679 1.00 24.37 ? 2 THR A C 1 -ATOM 171 O O . THR A 1 12 ? 20.262 14.040 -17.484 1.00 24.10 ? 2 THR A O 1 -ATOM 172 C CB . THR A 1 12 ? 21.902 12.264 -19.776 1.00 23.42 ? 2 THR A CB 1 -ATOM 173 O OG1 . THR A 1 12 ? 23.105 12.360 -20.515 1.00 28.21 ? 2 THR A OG1 1 -ATOM 174 C CG2 . THR A 1 12 ? 20.819 13.054 -20.490 1.00 27.46 ? 2 THR A CG2 1 -ATOM 175 H H . THR A 1 12 ? 23.383 11.326 -18.061 1.00 29.38 ? 2 THR A H 1 -ATOM 176 H HA . THR A 1 12 ? 22.550 13.711 -18.477 1.00 26.92 ? 2 THR A HA 1 -ATOM 177 H HB . THR A 1 12 ? 21.617 11.339 -19.713 1.00 28.10 ? 2 THR A HB 1 -ATOM 178 H HG1 . THR A 1 12 ? 23.715 11.930 -20.129 1.00 33.86 ? 2 THR A HG1 1 -ATOM 179 H HG21 . THR A 1 12 ? 20.895 12.930 -21.449 1.00 32.95 ? 2 THR A HG21 1 -ATOM 180 H HG22 . THR A 1 12 ? 19.943 12.752 -20.202 1.00 32.95 ? 2 THR A HG22 1 -ATOM 181 H HG23 . THR A 1 12 ? 20.908 13.999 -20.286 1.00 32.95 ? 2 THR A HG23 1 -ATOM 182 N N . GLY A 1 13 ? 20.284 11.818 -17.210 1.00 22.35 ? 3 GLY A N 1 -ATOM 183 C CA . GLY A 1 13 ? 19.055 11.861 -16.420 1.00 23.55 ? 3 GLY A CA 1 -ATOM 184 C C . GLY A 1 13 ? 19.172 12.688 -15.150 1.00 22.85 ? 3 GLY A C 1 -ATOM 185 O O . GLY A 1 13 ? 18.268 13.450 -14.787 1.00 24.72 ? 3 GLY A O 1 -ATOM 186 H H . GLY A 1 13 ? 20.614 11.033 -17.328 1.00 26.82 ? 3 GLY A H 1 -ATOM 187 H HA2 . GLY A 1 13 ? 18.346 12.241 -16.962 1.00 28.26 ? 3 GLY A HA2 1 -ATOM 188 H HA3 . GLY A 1 13 ? 18.810 10.957 -16.168 1.00 28.26 ? 3 GLY A HA3 1 -ATOM 189 N N . ARG A 1 14 ? 20.300 12.569 -14.456 1.00 23.83 ? 4 ARG A N 1 -ATOM 190 C CA . ARG A 1 14 ? 20.472 13.360 -13.245 1.00 27.88 ? 4 ARG A CA 1 -ATOM 191 C C . ARG A 1 14 ? 20.564 14.849 -13.602 1.00 26.39 ? 4 ARG A C 1 -ATOM 192 O O . ARG A 1 14 ? 20.095 15.710 -12.859 1.00 32.82 ? 4 ARG A O 1 -ATOM 193 C CB . ARG A 1 14 ? 21.740 12.914 -12.471 1.00 33.78 ? 4 ARG A CB 1 -ATOM 194 C CG . ARG A 1 14 ? 21.559 11.537 -11.752 1.00 32.28 ? 4 ARG A CG 1 -ATOM 195 C CD . ARG A 1 14 ? 22.699 11.213 -10.769 1.00 30.62 ? 4 ARG A CD 1 -ATOM 196 N NE . ARG A 1 14 ? 23.986 11.187 -11.435 1.00 33.27 ? 4 ARG A NE 1 -ATOM 197 C CZ . ARG A 1 14 ? 24.548 10.094 -11.971 1.00 57.78 ? 4 ARG A CZ 1 -ATOM 198 N NH1 . ARG A 1 14 ? 23.950 8.905 -11.915 1.00 37.08 ? 4 ARG A NH1 1 -ATOM 199 N NH2 . ARG A 1 14 ? 25.728 10.187 -12.550 1.00 36.56 ? 4 ARG A NH2 1 -ATOM 200 H H . ARG A 1 14 ? 20.959 12.055 -14.658 1.00 28.60 ? 4 ARG A H 1 -ATOM 201 H HA . ARG A 1 14 ? 19.711 13.215 -12.660 1.00 33.46 ? 4 ARG A HA 1 -ATOM 202 H HB2 . ARG A 1 14 ? 22.478 12.832 -13.095 1.00 40.54 ? 4 ARG A HB2 1 -ATOM 203 H HB3 . ARG A 1 14 ? 21.948 13.579 -11.796 1.00 40.54 ? 4 ARG A HB3 1 -ATOM 204 H HG2 . ARG A 1 14 ? 20.728 11.549 -11.251 1.00 38.74 ? 4 ARG A HG2 1 -ATOM 205 H HG3 . ARG A 1 14 ? 21.532 10.834 -12.420 1.00 38.74 ? 4 ARG A HG3 1 -ATOM 206 H HD2 . ARG A 1 14 ? 22.728 11.892 -10.076 1.00 36.75 ? 4 ARG A HD2 1 -ATOM 207 H HD3 . ARG A 1 14 ? 22.543 10.341 -10.373 1.00 36.75 ? 4 ARG A HD3 1 -ATOM 208 H HE . ARG A 1 14 ? 24.422 11.926 -11.490 1.00 39.93 ? 4 ARG A HE 1 -ATOM 209 H HH11 . ARG A 1 14 ? 23.186 8.825 -11.528 1.00 44.50 ? 4 ARG A HH11 1 -ATOM 210 H HH12 . ARG A 1 14 ? 24.328 8.216 -12.265 1.00 44.50 ? 4 ARG A HH12 1 -ATOM 211 H HH21 . ARG A 1 14 ? 26.132 10.946 -12.582 1.00 43.87 ? 4 ARG A HH21 1 -ATOM 212 H HH22 . ARG A 1 14 ? 26.094 9.490 -12.896 1.00 43.87 ? 4 ARG A HH22 1 -ATOM 213 N N . GLU A 1 15 ? 21.198 15.156 -14.706 1.00 25.65 ? 5 GLU A N 1 -ATOM 214 C CA . GLU A 1 15 ? 21.264 16.554 -15.150 1.00 30.27 ? 5 GLU A CA 1 -ATOM 215 C C . GLU A 1 15 ? 19.891 17.084 -15.572 1.00 24.14 ? 5 GLU A C 1 -ATOM 216 O O . GLU A 1 15 ? 19.563 18.239 -15.295 1.00 27.91 ? 5 GLU A O 1 -ATOM 217 C CB . GLU A 1 15 ? 22.283 16.719 -16.265 1.00 26.51 ? 5 GLU A CB 1 -ATOM 218 C CG . GLU A 1 15 ? 23.760 16.717 -15.647 1.00 36.46 ? 5 GLU A CG 1 -ATOM 219 C CD . GLU A 1 15 ? 24.891 17.064 -16.619 1.00 84.59 ? 5 GLU A CD 1 -ATOM 220 O OE1 . GLU A 1 15 ? 24.669 16.827 -17.823 1.00 62.11 ? 5 GLU A OE1 1 -ATOM 221 O OE2 . GLU A 1 15 ? 26.002 17.557 -16.187 1.00 31.23 ? 5 GLU A OE2 1 -ATOM 222 H H . GLU A 1 15 ? 21.597 14.594 -15.220 1.00 30.78 ? 5 GLU A H 1 -ATOM 223 H HA . GLU A 1 15 ? 21.566 17.093 -14.402 1.00 36.32 ? 5 GLU A HA 1 -ATOM 224 H HB2 . GLU A 1 15 ? 22.205 15.983 -16.892 1.00 31.82 ? 5 GLU A HB2 1 -ATOM 225 H HB3 . GLU A 1 15 ? 22.136 17.562 -16.722 1.00 31.82 ? 5 GLU A HB3 1 -ATOM 226 H HG2 . GLU A 1 15 ? 23.790 17.368 -14.928 1.00 43.75 ? 5 GLU A HG2 1 -ATOM 227 H HG3 . GLU A 1 15 ? 23.943 15.830 -15.299 1.00 43.75 ? 5 GLU A HG3 1 -ATOM 228 N N . ILE A 1 16 ? 19.081 16.258 -16.220 1.00 23.23 ? 6 ILE A N 1 -ATOM 229 C CA . ILE A 1 16 ? 17.701 16.660 -16.524 1.00 22.20 ? 6 ILE A CA 1 -ATOM 230 C C . ILE A 1 16 ? 16.905 16.926 -15.244 1.00 23.61 ? 6 ILE A C 1 -ATOM 231 O O . ILE A 1 16 ? 16.211 17.945 -15.124 1.00 25.49 ? 6 ILE A O 1 -ATOM 232 C CB . ILE A 1 16 ? 17.031 15.613 -17.421 1.00 22.84 ? 6 ILE A CB 1 -ATOM 233 C CG1 . ILE A 1 16 ? 17.660 15.544 -18.815 1.00 24.96 ? 6 ILE A CG1 1 -ATOM 234 C CG2 . ILE A 1 16 ? 15.517 15.874 -17.557 1.00 22.82 ? 6 ILE A CG2 1 -ATOM 235 C CD1 . ILE A 1 16 ? 17.553 16.818 -19.644 1.00 27.36 ? 6 ILE A CD1 1 -ATOM 236 H H . ILE A 1 16 ? 19.295 15.472 -16.493 1.00 27.88 ? 6 ILE A H 1 -ATOM 237 H HA . ILE A 1 16 ? 17.727 17.498 -17.012 1.00 26.64 ? 6 ILE A HA 1 -ATOM 238 H HB . ILE A 1 16 ? 17.175 14.761 -16.981 1.00 27.41 ? 6 ILE A HB 1 -ATOM 239 H HG12 . ILE A 1 16 ? 18.604 15.343 -18.715 1.00 29.95 ? 6 ILE A HG12 1 -ATOM 240 H HG13 . ILE A 1 16 ? 17.221 14.837 -19.314 1.00 29.95 ? 6 ILE A HG13 1 -ATOM 241 H HG21 . ILE A 1 16 ? 15.174 15.360 -18.306 1.00 27.39 ? 6 ILE A HG21 1 -ATOM 242 H HG22 . ILE A 1 16 ? 15.074 15.601 -16.739 1.00 27.39 ? 6 ILE A HG22 1 -ATOM 243 H HG23 . ILE A 1 16 ? 15.372 16.821 -17.712 1.00 27.39 ? 6 ILE A HG23 1 -ATOM 244 H HD11 . ILE A 1 16 ? 17.903 16.647 -20.532 1.00 32.83 ? 6 ILE A HD11 1 -ATOM 245 H HD12 . ILE A 1 16 ? 16.621 17.081 -19.701 1.00 32.83 ? 6 ILE A HD12 1 -ATOM 246 H HD13 . ILE A 1 16 ? 18.069 17.518 -19.215 1.00 32.83 ? 6 ILE A HD13 1 -ATOM 247 N N . LEU A 1 17 ? 17.007 16.033 -14.251 1.00 23.41 ? 7 LEU A N 1 -ATOM 248 C CA . LEU A 1 17 ? 16.324 16.247 -12.971 1.00 24.52 ? 7 LEU A CA 1 -ATOM 249 C C . LEU A 1 17 ? 16.760 17.543 -12.311 1.00 24.47 ? 7 LEU A C 1 -ATOM 250 O O . LEU A 1 17 ? 15.918 18.276 -11.782 1.00 28.20 ? 7 LEU A O 1 -ATOM 251 C CB . LEU A 1 17 ? 16.555 15.062 -12.021 1.00 25.43 ? 7 LEU A CB 1 -ATOM 252 C CG . LEU A 1 17 ? 15.876 13.781 -12.480 1.00 23.71 ? 7 LEU A CG 1 -ATOM 253 C CD1 . LEU A 1 17 ? 16.474 12.537 -11.806 1.00 27.62 ? 7 LEU A CD1 1 -ATOM 254 C CD2 . LEU A 1 17 ? 14.367 13.813 -12.227 1.00 28.12 ? 7 LEU A CD2 1 -ATOM 255 H H . LEU A 1 17 ? 17.460 15.303 -14.293 1.00 28.09 ? 7 LEU A H 1 -ATOM 256 H HA . LEU A 1 17 ? 15.372 16.304 -13.149 1.00 29.42 ? 7 LEU A HA 1 -ATOM 257 H HB2 . LEU A 1 17 ? 17.508 14.890 -11.962 1.00 30.51 ? 7 LEU A HB2 1 -ATOM 258 H HB3 . LEU A 1 17 ? 16.204 15.289 -11.146 1.00 30.51 ? 7 LEU A HB3 1 -ATOM 259 H HG . LEU A 1 17 ? 16.029 13.715 -13.435 1.00 28.45 ? 7 LEU A HG 1 -ATOM 260 H HD11 . LEU A 1 17 ? 16.022 11.747 -12.142 1.00 33.14 ? 7 LEU A HD11 1 -ATOM 261 H HD12 . LEU A 1 17 ? 17.421 12.490 -12.014 1.00 33.14 ? 7 LEU A HD12 1 -ATOM 262 H HD13 . LEU A 1 17 ? 16.350 12.607 -10.847 1.00 33.14 ? 7 LEU A HD13 1 -ATOM 263 H HD21 . LEU A 1 17 ? 13.982 12.967 -12.503 1.00 33.75 ? 7 LEU A HD21 1 -ATOM 264 H HD22 . LEU A 1 17 ? 14.208 13.955 -11.280 1.00 33.75 ? 7 LEU A HD22 1 -ATOM 265 H HD23 . LEU A 1 17 ? 13.976 14.538 -12.739 1.00 33.75 ? 7 LEU A HD23 1 -ATOM 266 N N . GLU A 1 18 ? 18.064 17.866 -12.362 1.00 25.93 ? 8 GLU A N 1 -ATOM 267 C CA . GLU A 1 18 ? 18.543 19.097 -11.763 1.00 30.48 ? 8 GLU A CA 1 -ATOM 268 C C . GLU A 1 18 ? 17.961 20.312 -12.474 1.00 26.17 ? 8 GLU A C 1 -ATOM 269 O O . GLU A 1 18 ? 17.606 21.303 -11.829 1.00 30.91 ? 8 GLU A O 1 -ATOM 270 C CB . GLU A 1 18 ? 20.073 19.122 -11.798 1.00 31.80 ? 8 GLU A CB 1 -ATOM 271 C CG . GLU A 1 18 ? 20.671 20.503 -11.577 1.00 45.12 ? 8 GLU A CG 1 -ATOM 272 C CD . GLU A 1 18 ? 22.035 20.454 -10.928 1.00 84.93 ? 8 GLU A CD 1 -ATOM 273 O OE1 . GLU A 1 18 ? 22.991 19.980 -11.578 1.00 73.57 ? 8 GLU A OE1 1 -ATOM 274 O OE2 . GLU A 1 18 ? 22.143 20.881 -9.760 1.00 100.44 ? 8 GLU A OE2 1 -ATOM 275 H H . GLU A 1 18 ? 18.675 17.389 -12.734 1.00 31.12 ? 8 GLU A H 1 -ATOM 276 H HA . GLU A 1 18 ? 18.264 19.137 -10.836 1.00 36.57 ? 8 GLU A HA 1 -ATOM 277 H HB2 . GLU A 1 18 ? 20.410 18.538 -11.100 1.00 38.16 ? 8 GLU A HB2 1 -ATOM 278 H HB3 . GLU A 1 18 ? 20.370 18.806 -12.666 1.00 38.16 ? 8 GLU A HB3 1 -ATOM 279 H HG2 . GLU A 1 18 ? 20.762 20.949 -12.434 1.00 54.15 ? 8 GLU A HG2 1 -ATOM 280 H HG3 . GLU A 1 18 ? 20.082 21.013 -10.998 1.00 54.15 ? 8 GLU A HG3 1 -ATOM 281 N N . LYS A 1 19 ? 17.866 20.252 -13.806 1.00 28.95 ? 9 LYS A N 1 -ATOM 282 C CA . LYS A 1 19 ? 17.277 21.358 -14.557 1.00 27.62 ? 9 LYS A CA 1 -ATOM 283 C C . LYS A 1 19 ? 15.790 21.510 -14.235 1.00 23.18 ? 9 LYS A C 1 -ATOM 284 O O . LYS A 1 19 ? 15.299 22.615 -14.069 1.00 26.16 ? 9 LYS A O 1 -ATOM 285 C CB . LYS A 1 19 ? 17.534 21.173 -16.056 1.00 26.87 ? 9 LYS A CB 1 -ATOM 286 C CG . LYS A 1 19 ? 19.016 21.383 -16.439 1.00 30.45 ? 9 LYS A CG 1 -ATOM 287 C CD . LYS A 1 19 ? 19.242 21.460 -17.915 1.00 34.83 ? 9 LYS A CD 1 -ATOM 288 C CE . LYS A 1 19 ? 20.715 21.780 -18.239 1.00 46.24 ? 9 LYS A CE 1 -ATOM 289 H H . LYS A 1 19 ? 18.131 19.592 -14.289 1.00 34.74 ? 9 LYS A H 1 -ATOM 290 H HA . LYS A 1 19 ? 17.707 22.189 -14.303 1.00 33.14 ? 9 LYS A HA 1 -ATOM 291 H HB2 . LYS A 1 19 ? 17.282 20.271 -16.310 1.00 32.24 ? 9 LYS A HB2 1 -ATOM 292 H HB3 . LYS A 1 19 ? 17.002 21.817 -16.549 1.00 32.24 ? 9 LYS A HB3 1 -ATOM 293 H HG2 . LYS A 1 19 ? 19.328 22.214 -16.047 1.00 36.53 ? 9 LYS A HG2 1 -ATOM 294 H HG3 . LYS A 1 19 ? 19.537 20.639 -16.098 1.00 36.53 ? 9 LYS A HG3 1 -ATOM 295 H HD2 . LYS A 1 19 ? 19.018 20.608 -18.320 1.00 41.79 ? 9 LYS A HD2 1 -ATOM 296 H HD3 . LYS A 1 19 ? 18.687 22.162 -18.289 1.00 41.79 ? 9 LYS A HD3 1 -ATOM 297 N N . LEU A 1 20 ? 15.082 20.398 -14.040 1.00 22.90 ? 10 LEU A N 1 -ATOM 298 C CA . LEU A 1 20 ? 13.655 20.477 -13.678 1.00 23.21 ? 10 LEU A CA 1 -ATOM 299 C C . LEU A 1 20 ? 13.502 21.062 -12.281 1.00 23.54 ? 10 LEU A C 1 -ATOM 300 O O . LEU A 1 20 ? 12.613 21.888 -12.046 1.00 28.30 ? 10 LEU A O 1 -ATOM 301 C CB . LEU A 1 20 ? 13.004 19.094 -13.776 1.00 21.14 ? 10 LEU A CB 1 -ATOM 302 C CG . LEU A 1 20 ? 12.880 18.566 -15.200 1.00 21.97 ? 10 LEU A CG 1 -ATOM 303 C CD1 . LEU A 1 20 ? 12.384 17.125 -15.134 1.00 21.62 ? 10 LEU A CD1 1 -ATOM 304 C CD2 . LEU A 1 20 ? 11.980 19.399 -16.042 1.00 25.63 ? 10 LEU A CD2 1 -ATOM 305 H H . LEU A 1 20 ? 15.391 19.598 -14.108 1.00 27.48 ? 10 LEU A H 1 -ATOM 306 H HA . LEU A 1 20 ? 13.191 21.053 -14.306 1.00 27.85 ? 10 LEU A HA 1 -ATOM 307 H HB2 . LEU A 1 20 ? 13.540 18.462 -13.271 1.00 25.37 ? 10 LEU A HB2 1 -ATOM 308 H HB3 . LEU A 1 20 ? 12.110 19.145 -13.400 1.00 25.37 ? 10 LEU A HB3 1 -ATOM 309 H HG . LEU A 1 20 ? 13.748 18.601 -15.632 1.00 26.37 ? 10 LEU A HG 1 -ATOM 310 H HD11 . LEU A 1 20 ? 12.316 16.773 -16.035 1.00 25.94 ? 10 LEU A HD11 1 -ATOM 311 H HD12 . LEU A 1 20 ? 13.015 16.598 -14.619 1.00 25.94 ? 10 LEU A HD12 1 -ATOM 312 H HD13 . LEU A 1 20 ? 11.514 17.110 -14.706 1.00 25.94 ? 10 LEU A HD13 1 -ATOM 313 H HD21 . LEU A 1 20 ? 11.780 18.919 -16.861 1.00 30.75 ? 10 LEU A HD21 1 -ATOM 314 H HD22 . LEU A 1 20 ? 11.161 19.573 -15.552 1.00 30.75 ? 10 LEU A HD22 1 -ATOM 315 H HD23 . LEU A 1 20 ? 12.425 20.235 -16.249 1.00 30.75 ? 10 LEU A HD23 1 -ATOM 316 N N . GLU A 1 21 ? 14.406 20.681 -11.353 1.00 26.73 ? 11 GLU A N 1 -ATOM 317 C CA . GLU A 1 21 ? 14.338 21.168 -9.979 1.00 31.03 ? 11 GLU A CA 1 -ATOM 318 C C . GLU A 1 21 ? 14.664 22.651 -9.907 1.00 33.81 ? 11 GLU A C 1 -ATOM 319 O O . GLU A 1 21 ? 14.092 23.367 -9.081 1.00 35.52 ? 11 GLU A O 1 -ATOM 320 C CB . GLU A 1 21 ? 15.285 20.356 -9.099 1.00 38.79 ? 11 GLU A CB 1 -ATOM 321 C CG . GLU A 1 21 ? 14.800 20.202 -7.664 1.00 47.09 ? 11 GLU A CG 1 -ATOM 322 C CD . GLU A 1 21 ? 15.923 19.896 -6.695 1.00 113.55 ? 11 GLU A CD 1 -ATOM 323 O OE1 . GLU A 1 21 ? 16.000 20.565 -5.637 1.00 76.71 ? 11 GLU A OE1 1 -ATOM 324 O OE2 . GLU A 1 21 ? 16.733 18.992 -6.999 1.00 123.52 ? 11 GLU A OE2 1 -ATOM 325 H H . GLU A 1 21 ? 15.061 20.144 -11.502 1.00 32.08 ? 11 GLU A H 1 -ATOM 326 H HA . GLU A 1 21 ? 13.439 21.046 -9.635 1.00 37.24 ? 11 GLU A HA 1 -ATOM 327 H HB2 . GLU A 1 21 ? 15.379 19.468 -9.478 1.00 46.55 ? 11 GLU A HB2 1 -ATOM 328 H HB3 . GLU A 1 21 ? 16.147 20.799 -9.075 1.00 46.55 ? 11 GLU A HB3 1 -ATOM 329 H HG2 . GLU A 1 21 ? 14.378 21.029 -7.382 1.00 56.51 ? 11 GLU A HG2 1 -ATOM 330 H HG3 . GLU A 1 21 ? 14.161 19.473 -7.622 1.00 56.51 ? 11 GLU A HG3 1 -ATOM 331 N N . ARG A 1 22 ? 15.541 23.129 -10.782 1.00 33.16 ? 12 ARG A N 1 -ATOM 332 C CA . ARG A 1 22 ? 15.856 24.545 -10.942 1.00 36.15 ? 12 ARG A CA 1 -ATOM 333 C C . ARG A 1 22 ? 14.873 25.262 -11.858 1.00 31.75 ? 12 ARG A C 1 -ATOM 334 O O . ARG A 1 22 ? 15.021 26.470 -12.106 1.00 35.07 ? 12 ARG A O 1 -ATOM 335 C CB . ARG A 1 22 ? 17.290 24.717 -11.479 1.00 34.00 ? 12 ARG A CB 1 -ATOM 336 C CG . ARG A 1 22 ? 18.347 24.519 -10.402 1.00 65.65 ? 12 ARG A CG 1 -ATOM 337 C CD . ARG A 1 22 ? 19.745 24.786 -10.939 1.00 52.58 ? 12 ARG A CD 1 -ATOM 338 N NE . ARG A 1 22 ? 19.949 24.136 -12.225 1.00 47.82 ? 12 ARG A NE 1 -ATOM 339 C CZ . ARG A 1 22 ? 21.088 24.152 -12.904 1.00 90.47 ? 12 ARG A CZ 1 -ATOM 340 N NH1 . ARG A 1 22 ? 22.139 24.800 -12.422 1.00 100.68 ? 12 ARG A NH1 1 -ATOM 341 N NH2 . ARG A 1 22 ? 21.178 23.520 -14.067 1.00 62.28 ? 12 ARG A NH2 1 -ATOM 342 H H . ARG A 1 22 ? 15.990 22.630 -11.320 1.00 39.80 ? 12 ARG A H 1 -ATOM 343 H HA . ARG A 1 22 ? 15.820 24.971 -10.072 1.00 43.38 ? 12 ARG A HA 1 -ATOM 344 H HB2 . ARG A 1 22 ? 17.447 24.063 -12.178 1.00 40.80 ? 12 ARG A HB2 1 -ATOM 345 H HB3 . ARG A 1 22 ? 17.389 25.614 -11.836 1.00 40.80 ? 12 ARG A HB3 1 -ATOM 346 H HG2 . ARG A 1 22 ? 18.179 25.132 -9.670 1.00 78.78 ? 12 ARG A HG2 1 -ATOM 347 H HG3 . ARG A 1 22 ? 18.313 23.603 -10.083 1.00 78.78 ? 12 ARG A HG3 1 -ATOM 348 H HD2 . ARG A 1 22 ? 19.868 25.741 -11.056 1.00 63.09 ? 12 ARG A HD2 1 -ATOM 349 H HD3 . ARG A 1 22 ? 20.402 24.441 -10.314 1.00 63.09 ? 12 ARG A HD3 1 -ATOM 350 H HE . ARG A 1 22 ? 19.285 23.711 -12.568 1.00 57.38 ? 12 ARG A HE 1 -ATOM 351 H HH11 . ARG A 1 22 ? 22.082 25.210 -11.668 1.00 120.82 ? 12 ARG A HH11 1 -ATOM 352 H HH12 . ARG A 1 22 ? 22.877 24.811 -12.863 1.00 120.82 ? 12 ARG A HH12 1 -ATOM 353 H HH21 . ARG A 1 22 ? 20.497 23.099 -14.381 1.00 74.73 ? 12 ARG A HH21 1 -ATOM 354 H HH22 . ARG A 1 22 ? 21.917 23.531 -14.507 1.00 74.73 ? 12 ARG A HH22 1 -ATOM 355 N N . ARG A 1 23 ? 13.876 24.557 -12.364 1.00 28.77 ? 13 ARG A N 1 -ATOM 356 C CA . ARG A 1 23 ? 12.812 25.158 -13.155 1.00 30.18 ? 13 ARG A CA 1 -ATOM 357 C C . ARG A 1 23 ? 13.321 25.773 -14.454 1.00 28.29 ? 13 ARG A C 1 -ATOM 358 O O . ARG A 1 23 ? 12.854 26.824 -14.893 1.00 34.96 ? 13 ARG A O 1 -ATOM 359 C CB . ARG A 1 23 ? 11.983 26.110 -12.295 1.00 29.75 ? 13 ARG A CB 1 -ATOM 360 C CG . ARG A 1 23 ? 11.456 25.385 -11.033 1.00 31.48 ? 13 ARG A CG 1 -ATOM 361 C CD . ARG A 1 23 ? 10.403 26.141 -10.278 1.00 36.00 ? 13 ARG A CD 1 -ATOM 362 N NE . ARG A 1 23 ? 9.186 26.295 -11.055 1.00 31.74 ? 13 ARG A NE 1 -ATOM 363 C CZ . ARG A 1 23 ? 8.266 25.348 -11.216 1.00 28.16 ? 13 ARG A CZ 1 -ATOM 364 N NH1 . ARG A 1 23 ? 8.419 24.148 -10.689 1.00 23.79 ? 13 ARG A NH1 1 -ATOM 365 N NH2 . ARG A 1 23 ? 7.189 25.656 -11.936 1.00 25.67 ? 13 ARG A NH2 1 -ATOM 366 H H . ARG A 1 23 ? 13.788 23.708 -12.261 1.00 34.52 ? 13 ARG A H 1 -ATOM 367 H HA . ARG A 1 23 ? 12.209 24.461 -13.457 1.00 36.22 ? 13 ARG A HA 1 -ATOM 368 H HB2 . ARG A 1 23 ? 12.535 26.857 -12.015 1.00 35.71 ? 13 ARG A HB2 1 -ATOM 369 H HB3 . ARG A 1 23 ? 11.225 26.431 -12.807 1.00 35.71 ? 13 ARG A HB3 1 -ATOM 370 H HG2 . ARG A 1 23 ? 11.071 24.536 -11.301 1.00 37.78 ? 13 ARG A HG2 1 -ATOM 371 H HG3 . ARG A 1 23 ? 12.199 25.235 -10.428 1.00 37.78 ? 13 ARG A HG3 1 -ATOM 372 H HD2 . ARG A 1 23 ? 10.185 25.660 -9.464 1.00 43.20 ? 13 ARG A HD2 1 -ATOM 373 H HD3 . ARG A 1 23 ? 10.738 27.025 -10.061 1.00 43.20 ? 13 ARG A HD3 1 -ATOM 374 H HE . ARG A 1 23 ? 9.050 27.052 -11.438 1.00 38.08 ? 13 ARG A HE 1 -ATOM 375 H HH11 . ARG A 1 23 ? 9.124 23.966 -10.232 1.00 28.54 ? 13 ARG A HH11 1 -ATOM 376 H HH12 . ARG A 1 23 ? 7.814 23.548 -10.804 1.00 28.54 ? 13 ARG A HH12 1 -ATOM 377 H HH21 . ARG A 1 23 ? 7.109 26.442 -12.276 1.00 30.80 ? 13 ARG A HH21 1 -ATOM 378 H HH22 . ARG A 1 23 ? 6.573 25.068 -12.061 1.00 30.80 ? 13 ARG A HH22 1 -ATOM 379 N N . GLU A 1 24 ? 14.301 25.103 -15.074 1.00 29.75 ? 14 GLU A N 1 -ATOM 380 C CA . GLU A 1 24 ? 14.852 25.506 -16.372 1.00 30.25 ? 14 GLU A CA 1 -ATOM 381 C C . GLU A 1 24 ? 14.151 24.672 -17.438 1.00 37.12 ? 14 GLU A C 1 -ATOM 382 O O . GLU A 1 24 ? 14.655 23.640 -17.883 1.00 36.14 ? 14 GLU A O 1 -ATOM 383 C CB . GLU A 1 24 ? 16.361 25.288 -16.372 1.00 37.31 ? 14 GLU A CB 1 -ATOM 384 C CG . GLU A 1 24 ? 17.069 26.077 -15.286 1.00 55.06 ? 14 GLU A CG 1 -ATOM 385 C CD . GLU A 1 24 ? 18.576 25.898 -15.313 1.00 75.50 ? 14 GLU A CD 1 -ATOM 386 O OE1 . GLU A 1 24 ? 19.220 26.140 -14.270 1.00 59.69 ? 14 GLU A OE1 1 -ATOM 387 O OE2 . GLU A 1 24 ? 19.110 25.520 -16.378 1.00 62.03 ? 14 GLU A OE2 1 -ATOM 388 H H . GLU A 1 24 ? 14.671 24.395 -14.754 1.00 35.70 ? 14 GLU A H 1 -ATOM 389 H HA . GLU A 1 24 ? 14.668 26.442 -16.550 1.00 36.30 ? 14 GLU A HA 1 -ATOM 390 H HB2 . GLU A 1 24 ? 16.543 24.347 -16.227 1.00 44.77 ? 14 GLU A HB2 1 -ATOM 391 H HB3 . GLU A 1 24 ? 16.720 25.567 -17.228 1.00 44.77 ? 14 GLU A HB3 1 -ATOM 392 H HG2 . GLU A 1 24 ? 16.878 27.020 -15.405 1.00 66.07 ? 14 GLU A HG2 1 -ATOM 393 H HG3 . GLU A 1 24 ? 16.748 25.780 -14.420 1.00 66.07 ? 14 GLU A HG3 1 -ATOM 394 N N . PHE A 1 25 ? 12.984 25.149 -17.871 1.00 29.91 ? 15 PHE A N 1 -ATOM 395 C CA . PHE A 1 25 ? 12.045 24.338 -18.643 1.00 31.37 ? 15 PHE A CA 1 -ATOM 396 C C . PHE A 1 25 ? 12.225 24.540 -20.148 1.00 43.89 ? 15 PHE A C 1 -ATOM 397 O O . PHE A 1 25 ? 11.305 24.878 -20.885 1.00 37.04 ? 15 PHE A O 1 -ATOM 398 C CB . PHE A 1 25 ? 10.620 24.682 -18.230 1.00 32.95 ? 15 PHE A CB 1 -ATOM 399 C CG . PHE A 1 25 ? 10.313 24.398 -16.801 1.00 27.88 ? 15 PHE A CG 1 -ATOM 400 C CD1 . PHE A 1 25 ? 10.635 23.183 -16.237 1.00 25.35 ? 15 PHE A CD1 1 -ATOM 401 C CD2 . PHE A 1 25 ? 9.696 25.361 -16.030 1.00 26.83 ? 15 PHE A CD2 1 -ATOM 402 C CE1 . PHE A 1 25 ? 10.312 22.924 -14.904 1.00 24.53 ? 15 PHE A CE1 1 -ATOM 403 C CE2 . PHE A 1 25 ? 9.368 25.099 -14.719 1.00 28.82 ? 15 PHE A CE2 1 -ATOM 404 C CZ . PHE A 1 25 ? 9.674 23.895 -14.166 1.00 26.67 ? 15 PHE A CZ 1 -ATOM 405 H H . PHE A 1 25 ? 12.709 25.951 -17.727 1.00 35.89 ? 15 PHE A H 1 -ATOM 406 H HA . PHE A 1 25 ? 12.226 23.405 -18.449 1.00 37.64 ? 15 PHE A HA 1 -ATOM 407 H HB2 . PHE A 1 25 ? 10.474 25.629 -18.380 1.00 39.54 ? 15 PHE A HB2 1 -ATOM 408 H HB3 . PHE A 1 25 ? 10.006 24.162 -18.772 1.00 39.54 ? 15 PHE A HB3 1 -ATOM 409 H HD1 . PHE A 1 25 ? 11.068 22.535 -16.745 1.00 30.42 ? 15 PHE A HD1 1 -ATOM 410 H HD2 . PHE A 1 25 ? 9.501 26.192 -16.399 1.00 32.19 ? 15 PHE A HD2 1 -ATOM 411 H HE1 . PHE A 1 25 ? 10.526 22.105 -14.518 1.00 29.43 ? 15 PHE A HE1 1 -ATOM 412 H HE2 . PHE A 1 25 ? 8.937 25.747 -14.210 1.00 34.59 ? 15 PHE A HE2 1 -ATOM 413 H HZ . PHE A 1 25 ? 9.449 23.725 -13.280 1.00 32.00 ? 15 PHE A HZ 1 -ATOM 414 N N . THR A 1 26 ? 13.431 24.294 -20.616 1.00 30.38 ? 16 THR A N 1 -ATOM 415 C CA . THR A 1 26 ? 13.648 24.448 -22.042 1.00 32.36 ? 16 THR A CA 1 -ATOM 416 C C . THR A 1 26 ? 13.020 23.277 -22.796 1.00 33.72 ? 16 THR A C 1 -ATOM 417 O O . THR A 1 26 ? 12.801 22.190 -22.266 1.00 28.55 ? 16 THR A O 1 -ATOM 418 C CB . THR A 1 26 ? 15.145 24.465 -22.341 1.00 34.49 ? 16 THR A CB 1 -ATOM 419 O OG1 . THR A 1 26 ? 15.694 23.186 -22.035 1.00 31.37 ? 16 THR A OG1 1 -ATOM 420 C CG2 . THR A 1 26 ? 15.864 25.552 -21.510 1.00 32.53 ? 16 THR A CG2 1 -ATOM 421 H H . THR A 1 26 ? 14.111 24.047 -20.152 1.00 36.46 ? 16 THR A H 1 -ATOM 422 H HA . THR A 1 26 ? 13.249 25.279 -22.343 1.00 38.83 ? 16 THR A HA 1 -ATOM 423 H HB . THR A 1 26 ? 15.288 24.668 -23.279 1.00 41.39 ? 16 THR A HB 1 -ATOM 424 H HG1 . THR A 1 26 ? 16.518 23.181 -22.198 1.00 37.64 ? 16 THR A HG1 1 -ATOM 425 H HG21 . THR A 1 26 ? 16.796 25.608 -21.772 1.00 39.03 ? 16 THR A HG21 1 -ATOM 426 H HG22 . THR A 1 26 ? 15.443 26.414 -21.657 1.00 39.03 ? 16 THR A HG22 1 -ATOM 427 H HG23 . THR A 1 26 ? 15.815 25.335 -20.566 1.00 39.03 ? 16 THR A HG23 1 -ATOM 428 N N . ARG A 1 27 ? 12.747 23.508 -24.068 1.00 31.58 ? 17 ARG A N 1 -ATOM 429 C CA A ARG A 1 27 ? 12.212 22.459 -24.922 0.49 27.64 ? 17 ARG A CA 1 -ATOM 430 C CA B ARG A 1 27 ? 12.204 22.452 -24.909 0.51 29.49 ? 17 ARG A CA 1 -ATOM 431 C C . ARG A 1 27 ? 13.095 21.215 -24.903 1.00 27.78 ? 17 ARG A C 1 -ATOM 432 O O . ARG A 1 27 ? 12.594 20.092 -24.812 1.00 26.63 ? 17 ARG A O 1 -ATOM 433 C CB A ARG A 1 27 ? 12.067 23.001 -26.337 0.49 33.87 ? 17 ARG A CB 1 -ATOM 434 C CB B ARG A 1 27 ? 12.019 22.980 -26.320 0.51 28.14 ? 17 ARG A CB 1 -ATOM 435 C CG A ARG A 1 27 ? 11.523 22.013 -27.301 0.49 35.32 ? 17 ARG A CG 1 -ATOM 436 C CG B ARG A 1 27 ? 11.441 22.012 -27.306 0.51 33.90 ? 17 ARG A CG 1 -ATOM 437 C CD A ARG A 1 27 ? 11.298 22.615 -28.673 0.49 30.48 ? 17 ARG A CD 1 -ATOM 438 C CD B ARG A 1 27 ? 11.310 22.699 -28.660 0.51 29.86 ? 17 ARG A CD 1 -ATOM 439 N NE A ARG A 1 27 ? 10.367 21.753 -29.392 0.49 40.81 ? 17 ARG A NE 1 -ATOM 440 N NE B ARG A 1 27 ? 10.668 24.012 -28.511 0.51 40.51 ? 17 ARG A NE 1 -ATOM 441 C CZ A ARG A 1 27 ? 9.056 21.753 -29.202 0.49 27.42 ? 17 ARG A CZ 1 -ATOM 442 C CZ B ARG A 1 27 ? 9.359 24.232 -28.536 0.51 37.42 ? 17 ARG A CZ 1 -ATOM 443 N NH1 A ARG A 1 27 ? 8.491 22.589 -28.344 0.49 50.28 ? 17 ARG A NH1 1 -ATOM 444 N NH1 B ARG A 1 27 ? 8.510 23.234 -28.701 0.51 28.71 ? 17 ARG A NH1 1 -ATOM 445 N NH2 A ARG A 1 27 ? 8.291 20.919 -29.895 0.49 50.98 ? 17 ARG A NH2 1 -ATOM 446 N NH2 B ARG A 1 27 ? 8.888 25.461 -28.386 0.51 51.63 ? 17 ARG A NH2 1 -ATOM 447 H H A ARG A 1 27 ? 12.862 24.263 -24.464 0.49 37.90 ? 17 ARG A H 1 -ATOM 448 H H B ARG A 1 27 ? 12.865 24.260 -24.468 0.51 37.90 ? 17 ARG A H 1 -ATOM 449 H HA A ARG A 1 27 ? 11.336 22.193 -24.600 0.49 33.17 ? 17 ARG A HA 1 -ATOM 450 H HA B ARG A 1 27 ? 11.337 22.183 -24.566 0.51 35.38 ? 17 ARG A HA 1 -ATOM 451 H HB2 A ARG A 1 27 ? 11.465 23.761 -26.319 0.49 40.64 ? 17 ARG A HB2 1 -ATOM 452 H HB2 B ARG A 1 27 ? 11.422 23.744 -26.283 0.51 33.76 ? 17 ARG A HB2 1 -ATOM 453 H HB3 A ARG A 1 27 ? 12.941 23.277 -26.656 0.49 40.64 ? 17 ARG A HB3 1 -ATOM 454 H HB3 B ARG A 1 27 ? 12.886 23.253 -26.659 0.51 33.76 ? 17 ARG A HB3 1 -ATOM 455 H HG2 A ARG A 1 27 ? 12.151 21.279 -27.393 0.49 42.39 ? 17 ARG A HG2 1 -ATOM 456 H HG2 B ARG A 1 27 ? 12.027 21.245 -27.398 0.51 40.69 ? 17 ARG A HG2 1 -ATOM 457 H HG3 A ARG A 1 27 ? 10.673 21.682 -26.973 0.49 42.39 ? 17 ARG A HG3 1 -ATOM 458 H HG3 B ARG A 1 27 ? 10.562 21.726 -27.012 0.51 40.69 ? 17 ARG A HG3 1 -ATOM 459 H HD2 A ARG A 1 27 ? 10.914 23.502 -28.591 0.49 36.58 ? 17 ARG A HD2 1 -ATOM 460 H HD2 B ARG A 1 27 ? 12.191 22.828 -29.045 0.51 35.83 ? 17 ARG A HD2 1 -ATOM 461 H HD3 A ARG A 1 27 ? 12.135 22.659 -29.161 0.49 36.58 ? 17 ARG A HD3 1 -ATOM 462 H HD3 B ARG A 1 27 ? 10.767 22.154 -29.250 0.51 35.83 ? 17 ARG A HD3 1 -ATOM 463 H HE A ARG A 1 27 ? 10.689 21.212 -29.977 0.49 48.98 ? 17 ARG A HE 1 -ATOM 464 H HE B ARG A 1 27 ? 11.181 24.693 -28.398 0.51 48.61 ? 17 ARG A HE 1 -ATOM 465 H HH11 A ARG A 1 27 ? 8.977 23.144 -27.901 0.49 60.33 ? 17 ARG A HH11 1 -ATOM 466 H HH11 B ARG A 1 27 ? 8.803 22.431 -28.793 0.51 34.45 ? 17 ARG A HH11 1 -ATOM 467 H HH12 A ARG A 1 27 ? 7.639 22.578 -28.231 0.49 60.33 ? 17 ARG A HH12 1 -ATOM 468 H HH12 B ARG A 1 27 ? 7.664 23.387 -28.716 0.51 34.45 ? 17 ARG A HH12 1 -ATOM 469 H HH21 A ARG A 1 27 ? 8.646 20.382 -30.465 0.49 61.18 ? 17 ARG A HH21 1 -ATOM 470 H HH21 B ARG A 1 27 ? 9.430 26.119 -28.272 0.51 61.96 ? 17 ARG A HH21 1 -ATOM 471 H HH22 A ARG A 1 27 ? 7.439 20.916 -29.774 0.49 61.18 ? 17 ARG A HH22 1 -ATOM 472 H HH22 B ARG A 1 27 ? 8.039 25.601 -28.403 0.51 61.96 ? 17 ARG A HH22 1 -ATOM 473 N N . GLU A 1 28 ? 14.423 21.394 -24.970 1.00 25.58 ? 18 GLU A N 1 -ATOM 474 C CA . GLU A 1 28 ? 15.316 20.246 -24.962 1.00 23.71 ? 18 GLU A CA 1 -ATOM 475 C C . GLU A 1 28 ? 15.210 19.458 -23.658 1.00 24.71 ? 18 GLU A C 1 -ATOM 476 O O . GLU A 1 28 ? 15.336 18.228 -23.664 1.00 23.24 ? 18 GLU A O 1 -ATOM 477 C CB . GLU A 1 28 ? 16.765 20.740 -25.202 1.00 31.32 ? 18 GLU A CB 1 -ATOM 478 C CG . GLU A 1 28 ? 17.836 20.084 -24.469 1.00 43.13 ? 18 GLU A CG 1 -ATOM 479 C CD . GLU A 1 28 ? 19.199 20.645 -24.833 1.00 91.85 ? 18 GLU A CD 1 -ATOM 480 O OE1 . GLU A 1 28 ? 19.575 20.560 -26.019 1.00 50.29 ? 18 GLU A OE1 1 -ATOM 481 O OE2 . GLU A 1 28 ? 19.878 21.202 -23.944 1.00 38.35 ? 18 GLU A OE2 1 -ATOM 482 H H . GLU A 1 28 ? 14.817 22.156 -25.020 1.00 30.69 ? 18 GLU A H 1 -ATOM 483 H HA . GLU A 1 28 ? 15.072 19.638 -25.677 1.00 28.45 ? 18 GLU A HA 1 -ATOM 484 H HB2 . GLU A 1 28 ? 16.963 20.628 -26.145 1.00 37.58 ? 18 GLU A HB2 1 -ATOM 485 H HB3 . GLU A 1 28 ? 16.800 21.680 -24.965 1.00 37.58 ? 18 GLU A HB3 1 -ATOM 486 H HG2 . GLU A 1 28 ? 17.698 20.215 -23.518 1.00 51.75 ? 18 GLU A HG2 1 -ATOM 487 H HG3 . GLU A 1 28 ? 17.832 19.137 -24.678 1.00 51.75 ? 18 GLU A HG3 1 -ATOM 488 N N . VAL A 1 29 ? 15.029 20.147 -22.542 1.00 23.29 ? 19 VAL A N 1 -ATOM 489 C CA . VAL A 1 29 ? 14.929 19.465 -21.259 1.00 20.86 ? 19 VAL A CA 1 -ATOM 490 C C . VAL A 1 29 ? 13.630 18.670 -21.210 1.00 21.02 ? 19 VAL A C 1 -ATOM 491 O O . VAL A 1 29 ? 13.625 17.520 -20.758 1.00 20.80 ? 19 VAL A O 1 -ATOM 492 C CB . VAL A 1 29 ? 14.993 20.484 -20.108 1.00 25.38 ? 19 VAL A CB 1 -ATOM 493 C CG1 . VAL A 1 29 ? 14.536 19.872 -18.786 1.00 27.16 ? 19 VAL A CG1 1 -ATOM 494 C CG2 . VAL A 1 29 ? 16.420 21.008 -19.937 1.00 29.05 ? 19 VAL A CG2 1 -ATOM 495 H H . VAL A 1 29 ? 14.962 21.003 -22.498 1.00 27.95 ? 19 VAL A H 1 -ATOM 496 H HA . VAL A 1 29 ? 15.678 18.856 -21.164 1.00 25.03 ? 19 VAL A HA 1 -ATOM 497 H HB . VAL A 1 29 ? 14.397 21.215 -20.335 1.00 30.46 ? 19 VAL A HB 1 -ATOM 498 H HG11 . VAL A 1 29 ? 14.836 20.436 -18.057 1.00 32.59 ? 19 VAL A HG11 1 -ATOM 499 H HG12 . VAL A 1 29 ? 13.567 19.815 -18.783 1.00 32.59 ? 19 VAL A HG12 1 -ATOM 500 H HG13 . VAL A 1 29 ? 14.920 18.985 -18.699 1.00 32.59 ? 19 VAL A HG13 1 -ATOM 501 H HG21 . VAL A 1 29 ? 16.417 21.724 -19.283 1.00 34.86 ? 19 VAL A HG21 1 -ATOM 502 H HG22 . VAL A 1 29 ? 16.988 20.283 -19.631 1.00 34.86 ? 19 VAL A HG22 1 -ATOM 503 H HG23 . VAL A 1 29 ? 16.739 21.340 -20.790 1.00 34.86 ? 19 VAL A HG23 1 -ATOM 504 N N . LEU A 1 30 ? 12.518 19.275 -21.626 1.00 20.54 ? 20 LEU A N 1 -ATOM 505 C CA . LEU A 1 30 ? 11.230 18.564 -21.591 1.00 18.48 ? 20 LEU A CA 1 -ATOM 506 C C . LEU A 1 30 ? 11.252 17.389 -22.535 1.00 20.92 ? 20 LEU A C 1 -ATOM 507 O O . LEU A 1 30 ? 10.788 16.299 -22.191 1.00 20.51 ? 20 LEU A O 1 -ATOM 508 C CB . LEU A 1 30 ? 10.074 19.497 -21.916 1.00 21.21 ? 20 LEU A CB 1 -ATOM 509 C CG . LEU A 1 30 ? 9.919 20.644 -20.896 1.00 22.17 ? 20 LEU A CG 1 -ATOM 510 C CD1 . LEU A 1 30 ? 8.867 21.616 -21.385 1.00 25.03 ? 20 LEU A CD1 1 -ATOM 511 C CD2 . LEU A 1 30 ? 9.601 20.170 -19.521 1.00 21.75 ? 20 LEU A CD2 1 -ATOM 512 H H . LEU A 1 30 ? 12.476 20.079 -21.927 1.00 24.65 ? 20 LEU A H 1 -ATOM 513 H HA . LEU A 1 30 ? 11.081 18.239 -20.689 1.00 22.17 ? 20 LEU A HA 1 -ATOM 514 H HB2 . LEU A 1 30 ? 10.224 19.891 -22.789 1.00 25.45 ? 20 LEU A HB2 1 -ATOM 515 H HB3 . LEU A 1 30 ? 9.249 18.986 -21.920 1.00 25.45 ? 20 LEU A HB3 1 -ATOM 516 H HG . LEU A 1 30 ? 10.774 21.096 -20.826 1.00 26.61 ? 20 LEU A HG 1 -ATOM 517 H HD11 . LEU A 1 30 ? 8.789 22.343 -20.748 1.00 30.04 ? 20 LEU A HD11 1 -ATOM 518 H HD12 . LEU A 1 30 ? 9.135 21.962 -22.251 1.00 30.04 ? 20 LEU A HD12 1 -ATOM 519 H HD13 . LEU A 1 30 ? 8.019 21.152 -21.462 1.00 30.04 ? 20 LEU A HD13 1 -ATOM 520 H HD21 . LEU A 1 30 ? 9.372 20.934 -18.969 1.00 26.10 ? 20 LEU A HD21 1 -ATOM 521 H HD22 . LEU A 1 30 ? 8.851 19.557 -19.564 1.00 26.10 ? 20 LEU A HD22 1 -ATOM 522 H HD23 . LEU A 1 30 ? 10.377 19.718 -19.156 1.00 26.10 ? 20 LEU A HD23 1 -ATOM 523 N N . LYS A 1 31 ? 11.822 17.568 -23.741 1.00 20.08 ? 21 LYS A N 1 -ATOM 524 C CA . LYS A 1 31 ? 11.891 16.469 -24.697 1.00 22.75 ? 21 LYS A CA 1 -ATOM 525 C C . LYS A 1 31 ? 12.703 15.321 -24.114 1.00 20.73 ? 21 LYS A C 1 -ATOM 526 O O . LYS A 1 31 ? 12.330 14.153 -24.259 1.00 21.91 ? 21 LYS A O 1 -ATOM 527 C CB . LYS A 1 31 ? 12.492 16.945 -26.007 1.00 24.50 ? 21 LYS A CB 1 -ATOM 528 C CG . LYS A 1 31 ? 12.534 15.815 -27.054 1.00 24.43 ? 21 LYS A CG 1 -ATOM 529 C CD . LYS A 1 31 ? 12.945 16.317 -28.405 1.00 29.93 ? 21 LYS A CD 1 -ATOM 530 C CE . LYS A 1 31 ? 12.823 15.211 -29.456 1.00 39.81 ? 21 LYS A CE 1 -ATOM 531 N NZ . LYS A 1 31 ? 13.085 15.723 -30.824 1.00 67.35 ? 21 LYS A NZ 1 -ATOM 532 H H . LYS A 1 31 ? 12.167 18.305 -24.018 1.00 24.09 ? 21 LYS A H 1 -ATOM 533 H HA . LYS A 1 31 ? 10.995 16.151 -24.890 1.00 27.30 ? 21 LYS A HA 1 -ATOM 534 H HB2 . LYS A 1 31 ? 11.954 17.671 -26.361 1.00 29.41 ? 21 LYS A HB2 1 -ATOM 535 H HB3 . LYS A 1 31 ? 13.400 17.251 -25.850 1.00 29.41 ? 21 LYS A HB3 1 -ATOM 536 H HG2 . LYS A 1 31 ? 13.175 15.143 -26.773 1.00 29.31 ? 21 LYS A HG2 1 -ATOM 537 H HG3 . LYS A 1 31 ? 11.652 15.420 -27.133 1.00 29.31 ? 21 LYS A HG3 1 -ATOM 538 H HD2 . LYS A 1 31 ? 12.369 17.053 -28.665 1.00 35.92 ? 21 LYS A HD2 1 -ATOM 539 H HD3 . LYS A 1 31 ? 13.868 16.612 -28.374 1.00 35.92 ? 21 LYS A HD3 1 -ATOM 540 H HE2 . LYS A 1 31 ? 13.470 14.513 -29.264 1.00 47.77 ? 21 LYS A HE2 1 -ATOM 541 H HE3 . LYS A 1 31 ? 11.925 14.845 -29.435 1.00 47.77 ? 21 LYS A HE3 1 -ATOM 542 H HZ1 . LYS A 1 31 ? 13.907 16.061 -30.870 1.00 80.82 ? 21 LYS A HZ1 1 -ATOM 543 H HZ2 . LYS A 1 31 ? 13.011 15.062 -31.416 1.00 80.82 ? 21 LYS A HZ2 1 -ATOM 544 H HZ3 . LYS A 1 31 ? 12.498 16.360 -31.028 1.00 80.82 ? 21 LYS A HZ3 1 -ATOM 545 N N . GLU A 1 32 ? 13.846 15.627 -23.534 1.00 22.47 ? 22 GLU A N 1 -ATOM 546 C CA . GLU A 1 32 ? 14.656 14.555 -22.993 1.00 21.67 ? 22 GLU A CA 1 -ATOM 547 C C . GLU A 1 32 ? 13.976 13.863 -21.827 1.00 23.52 ? 22 GLU A C 1 -ATOM 548 O O . GLU A 1 32 ? 14.020 12.625 -21.727 1.00 22.53 ? 22 GLU A O 1 -ATOM 549 C CB . GLU A 1 32 ? 16.036 15.092 -22.632 1.00 25.44 ? 22 GLU A CB 1 -ATOM 550 C CG . GLU A 1 32 ? 17.048 14.007 -22.224 1.00 41.87 ? 22 GLU A CG 1 -ATOM 551 C CD . GLU A 1 32 ? 17.422 13.041 -23.350 1.00 55.28 ? 22 GLU A CD 1 -ATOM 552 O OE1 . GLU A 1 32 ? 17.113 13.313 -24.532 1.00 43.92 ? 22 GLU A OE1 1 -ATOM 553 O OE2 . GLU A 1 32 ? 18.030 11.993 -23.047 1.00 55.49 ? 22 GLU A OE2 1 -ATOM 554 H H . GLU A 1 32 ? 14.166 16.420 -23.442 1.00 26.96 ? 22 GLU A H 1 -ATOM 555 H HA . GLU A 1 32 ? 14.782 13.872 -23.671 1.00 26.00 ? 22 GLU A HA 1 -ATOM 556 H HB2 . GLU A 1 32 ? 16.399 15.558 -23.401 1.00 30.53 ? 22 GLU A HB2 1 -ATOM 557 H HB3 . GLU A 1 32 ? 15.945 15.704 -21.885 1.00 30.53 ? 22 GLU A HB3 1 -ATOM 558 H HG2 . GLU A 1 32 ? 17.864 14.439 -21.926 1.00 50.25 ? 22 GLU A HG2 1 -ATOM 559 H HG3 . GLU A 1 32 ? 16.668 13.483 -21.502 1.00 50.25 ? 22 GLU A HG3 1 -ATOM 560 N N . ALA A 1 33 ? 13.316 14.619 -20.952 1.00 21.62 ? 23 ALA A N 1 -ATOM 561 C CA . ALA A 1 33 ? 12.579 13.960 -19.868 1.00 20.66 ? 23 ALA A CA 1 -ATOM 562 C C . ALA A 1 33 ? 11.541 13.001 -20.415 1.00 20.32 ? 23 ALA A C 1 -ATOM 563 O O . ALA A 1 33 ? 11.352 11.900 -19.872 1.00 20.89 ? 23 ALA A O 1 -ATOM 564 C CB . ALA A 1 33 ? 11.913 15.015 -18.992 1.00 20.29 ? 23 ALA A CB 1 -ATOM 565 H H . ALA A 1 33 ? 13.279 15.478 -20.959 1.00 25.94 ? 23 ALA A H 1 -ATOM 566 H HA . ALA A 1 33 ? 13.201 13.452 -19.324 1.00 24.80 ? 23 ALA A HA 1 -ATOM 567 H HB1 . ALA A 1 33 ? 11.439 14.573 -18.271 1.00 24.34 ? 23 ALA A HB1 1 -ATOM 568 H HB2 . ALA A 1 33 ? 12.596 15.601 -18.629 1.00 24.34 ? 23 ALA A HB2 1 -ATOM 569 H HB3 . ALA A 1 33 ? 11.291 15.528 -19.532 1.00 24.34 ? 23 ALA A HB3 1 -ATOM 570 N N . LEU A 1 34 ? 10.823 13.385 -21.472 1.00 19.65 ? 24 LEU A N 1 -ATOM 571 C CA . LEU A 1 34 ? 9.819 12.504 -22.027 1.00 19.87 ? 24 LEU A CA 1 -ATOM 572 C C . LEU A 1 34 ? 10.444 11.334 -22.764 1.00 23.35 ? 24 LEU A C 1 -ATOM 573 O O . LEU A 1 34 ? 9.808 10.279 -22.850 1.00 30.44 ? 24 LEU A O 1 -ATOM 574 C CB . LEU A 1 34 ? 8.904 13.267 -22.973 1.00 20.15 ? 24 LEU A CB 1 -ATOM 575 C CG . LEU A 1 34 ? 7.957 14.222 -22.258 1.00 19.98 ? 24 LEU A CG 1 -ATOM 576 C CD1 . LEU A 1 34 ? 7.296 15.094 -23.310 1.00 20.60 ? 24 LEU A CD1 1 -ATOM 577 C CD2 . LEU A 1 34 ? 6.885 13.497 -21.458 1.00 20.32 ? 24 LEU A CD2 1 -ATOM 578 H H . LEU A 1 34 ? 10.902 14.141 -21.874 1.00 23.58 ? 24 LEU A H 1 -ATOM 579 H HA . LEU A 1 34 ? 9.274 12.159 -21.302 1.00 23.84 ? 24 LEU A HA 1 -ATOM 580 H HB2 . LEU A 1 34 ? 9.449 13.788 -23.583 1.00 24.18 ? 24 LEU A HB2 1 -ATOM 581 H HB3 . LEU A 1 34 ? 8.366 12.630 -23.469 1.00 24.18 ? 24 LEU A HB3 1 -ATOM 582 H HG . LEU A 1 34 ? 8.464 14.752 -21.624 1.00 23.98 ? 24 LEU A HG 1 -ATOM 583 H HD11 . LEU A 1 34 ? 6.679 15.702 -22.874 1.00 24.72 ? 24 LEU A HD11 1 -ATOM 584 H HD12 . LEU A 1 34 ? 7.981 15.597 -23.779 1.00 24.72 ? 24 LEU A HD12 1 -ATOM 585 H HD13 . LEU A 1 34 ? 6.817 14.527 -23.934 1.00 24.72 ? 24 LEU A HD13 1 -ATOM 586 H HD21 . LEU A 1 34 ? 6.247 14.147 -21.123 1.00 24.38 ? 24 LEU A HD21 1 -ATOM 587 H HD22 . LEU A 1 34 ? 6.437 12.859 -22.035 1.00 24.38 ? 24 LEU A HD22 1 -ATOM 588 H HD23 . LEU A 1 34 ? 7.304 13.033 -20.716 1.00 24.38 ? 24 LEU A HD23 1 -ATOM 589 N N . SER A 1 35 ? 11.673 11.482 -23.239 1.00 21.38 ? 25 SER A N 1 -ATOM 590 C CA . SER A 1 35 ? 12.267 10.472 -24.104 1.00 24.30 ? 25 SER A CA 1 -ATOM 591 C C . SER A 1 35 ? 13.031 9.396 -23.341 1.00 26.21 ? 25 SER A C 1 -ATOM 592 O O . SER A 1 35 ? 13.146 8.265 -23.842 1.00 27.79 ? 25 SER A O 1 -ATOM 593 C CB . SER A 1 35 ? 13.242 11.171 -25.046 1.00 24.27 ? 25 SER A CB 1 -ATOM 594 O OG . SER A 1 35 ? 12.503 12.033 -25.919 1.00 27.22 ? 25 SER A OG 1 -ATOM 595 H H . SER A 1 35 ? 12.182 12.156 -23.076 1.00 25.65 ? 25 SER A H 1 -ATOM 596 H HA . SER A 1 35 ? 11.566 10.031 -24.608 1.00 29.16 ? 25 SER A HA 1 -ATOM 597 H HB2 . SER A 1 35 ? 13.872 11.697 -24.528 1.00 29.12 ? 25 SER A HB2 1 -ATOM 598 H HB3 . SER A 1 35 ? 13.717 10.507 -25.571 1.00 29.12 ? 25 SER A HB3 1 -ATOM 599 H HG . SER A 1 35 ? 12.079 12.602 -25.470 1.00 32.66 ? 25 SER A HG 1 -ATOM 600 N N . ILE A 1 36 ? 13.557 9.721 -22.157 1.00 23.30 ? 26 ILE A N 1 -ATOM 601 C CA . ILE A 1 36 ? 14.340 8.760 -21.369 1.00 22.30 ? 26 ILE A CA 1 -ATOM 602 C C . ILE A 1 36 ? 13.437 7.616 -20.956 1.00 23.52 ? 26 ILE A C 1 -ATOM 603 O O . ILE A 1 36 ? 12.350 7.834 -20.390 1.00 26.66 ? 26 ILE A O 1 -ATOM 604 C CB . ILE A 1 36 ? 14.943 9.470 -20.155 1.00 22.82 ? 26 ILE A CB 1 -ATOM 605 C CG1 . ILE A 1 36 ? 16.013 10.435 -20.584 1.00 23.34 ? 26 ILE A CG1 1 -ATOM 606 C CG2 . ILE A 1 36 ? 15.450 8.441 -19.128 1.00 26.19 ? 26 ILE A CG2 1 -ATOM 607 C CD1 . ILE A 1 36 ? 16.522 11.393 -19.509 1.00 31.36 ? 26 ILE A CD1 1 -ATOM 608 H H . ILE A 1 36 ? 13.476 10.492 -21.785 1.00 27.96 ? 26 ILE A H 1 -ATOM 609 H HA . ILE A 1 36 ? 15.063 8.399 -21.906 1.00 26.76 ? 26 ILE A HA 1 -ATOM 610 H HB . ILE A 1 36 ? 14.252 9.993 -19.719 1.00 27.39 ? 26 ILE A HB 1 -ATOM 611 H HG12 . ILE A 1 36 ? 16.775 9.922 -20.895 1.00 28.01 ? 26 ILE A HG12 1 -ATOM 612 H HG13 . ILE A 1 36 ? 15.660 10.977 -21.307 1.00 28.01 ? 26 ILE A HG13 1 -ATOM 613 H HG21 . ILE A 1 36 ? 16.052 8.882 -18.509 1.00 31.43 ? 26 ILE A HG21 1 -ATOM 614 H HG22 . ILE A 1 36 ? 14.691 8.074 -18.648 1.00 31.43 ? 26 ILE A HG22 1 -ATOM 615 H HG23 . ILE A 1 36 ? 15.919 7.732 -19.597 1.00 31.43 ? 26 ILE A HG23 1 -ATOM 616 H HD11 . ILE A 1 36 ? 17.164 12.001 -19.907 1.00 37.63 ? 26 ILE A HD11 1 -ATOM 617 H HD12 . ILE A 1 36 ? 15.772 11.892 -19.150 1.00 37.63 ? 26 ILE A HD12 1 -ATOM 618 H HD13 . ILE A 1 36 ? 16.946 10.880 -18.803 1.00 37.63 ? 26 ILE A HD13 1 -ATOM 619 N N A ASN A 1 37 ? 13.880 6.367 -21.136 0.48 19.63 ? 27 ASN A N 1 -ATOM 620 N N B ASN A 1 37 ? 13.864 6.400 -21.264 0.52 25.48 ? 27 ASN A N 1 -ATOM 621 C CA A ASN A 1 37 ? 13.048 5.191 -20.839 0.48 28.91 ? 27 ASN A CA 1 -ATOM 622 C CA B ASN A 1 37 ? 13.170 5.184 -20.883 0.52 18.22 ? 27 ASN A CA 1 -ATOM 623 C C A ASN A 1 37 ? 13.487 4.391 -19.593 0.48 20.77 ? 27 ASN A C 1 -ATOM 624 C C B ASN A 1 37 ? 14.046 4.453 -19.867 0.52 21.31 ? 27 ASN A C 1 -ATOM 625 O O A ASN A 1 37 ? 13.165 3.220 -19.444 0.48 31.28 ? 27 ASN A O 1 -ATOM 626 O O B ASN A 1 37 ? 14.678 3.445 -20.169 0.52 23.33 ? 27 ASN A O 1 -ATOM 627 C CB A ASN A 1 37 ? 12.936 4.270 -22.058 0.48 29.13 ? 27 ASN A CB 1 -ATOM 628 C CB B ASN A 1 37 ? 12.890 4.307 -22.124 0.52 29.30 ? 27 ASN A CB 1 -ATOM 629 C CG A ASN A 1 37 ? 11.990 4.808 -23.112 0.48 33.75 ? 27 ASN A CG 1 -ATOM 630 C CG B ASN A 1 37 ? 11.789 3.263 -21.893 0.52 38.43 ? 27 ASN A CG 1 -ATOM 631 O OD1 A ASN A 1 37 ? 11.018 5.502 -22.802 0.48 67.44 ? 27 ASN A OD1 1 -ATOM 632 O OD1 B ASN A 1 37 ? 11.227 3.135 -20.802 0.52 30.82 ? 27 ASN A OD1 1 -ATOM 633 N ND2 A ASN A 1 37 ? 12.276 4.496 -24.369 0.48 38.30 ? 27 ASN A ND2 1 -ATOM 634 N ND2 B ASN A 1 37 ? 11.466 2.521 -22.944 0.52 32.91 ? 27 ASN A ND2 1 -ATOM 635 H H A ASN A 1 37 ? 14.664 6.173 -21.431 0.48 23.55 ? 27 ASN A H 1 -ATOM 636 H H B ASN A 1 37 ? 14.582 6.250 -21.712 0.52 30.57 ? 27 ASN A H 1 -ATOM 637 H HA A ASN A 1 37 ? 12.164 5.533 -20.633 0.48 34.69 ? 27 ASN A HA 1 -ATOM 638 H HA B ASN A 1 37 ? 12.316 5.403 -20.479 0.52 21.86 ? 27 ASN A HA 1 -ATOM 639 H HB2 A ASN A 1 37 ? 13.812 4.173 -22.462 0.48 34.95 ? 27 ASN A HB2 1 -ATOM 640 H HB2 B ASN A 1 37 ? 12.609 4.879 -22.855 0.52 35.16 ? 27 ASN A HB2 1 -ATOM 641 H HB3 A ASN A 1 37 ? 12.605 3.405 -21.771 0.48 34.95 ? 27 ASN A HB3 1 -ATOM 642 H HB3 B ASN A 1 37 ? 13.702 3.834 -22.365 0.52 35.16 ? 27 ASN A HB3 1 -ATOM 643 H HD21 A ASN A 1 37 ? 11.772 4.775 -25.007 0.48 45.96 ? 27 ASN A HD21 1 -ATOM 644 H HD21 B ASN A 1 37 ? 10.855 1.919 -22.875 0.52 39.49 ? 27 ASN A HD21 1 -ATOM 645 H HD22 A ASN A 1 37 ? 12.966 4.014 -24.545 0.48 45.96 ? 27 ASN A HD22 1 -ATOM 646 H HD22 B ASN A 1 37 ? 11.867 2.642 -23.695 0.52 39.49 ? 27 ASN A HD22 1 -ATOM 647 N N . ASP A 1 38 ? 14.155 5.037 -18.671 1.00 29.93 ? 28 ASP A N 1 -ATOM 648 C CA . ASP A 1 38 ? 14.851 4.398 -17.548 1.00 24.65 ? 28 ASP A CA 1 -ATOM 649 C C . ASP A 1 38 ? 13.926 4.458 -16.342 1.00 21.10 ? 28 ASP A C 1 -ATOM 650 O O . ASP A 1 38 ? 13.482 5.546 -15.971 1.00 24.99 ? 28 ASP A O 1 -ATOM 651 C CB . ASP A 1 38 ? 16.175 5.136 -17.341 1.00 24.97 ? 28 ASP A CB 1 -ATOM 652 C CG . ASP A 1 38 ? 17.068 4.497 -16.283 1.00 25.15 ? 28 ASP A CG 1 -ATOM 653 O OD1 . ASP A 1 38 ? 16.679 4.641 -15.085 1.00 27.41 ? 28 ASP A OD1 1 -ATOM 654 O OD2 . ASP A 1 38 ? 18.143 3.927 -16.610 1.00 28.08 ? 28 ASP A OD2 1 -ATOM 655 H H A ASP A 1 38 ? 14.232 5.894 -18.660 0.48 35.92 ? 28 ASP A H 1 -ATOM 656 H H B ASP A 1 38 ? 13.830 5.812 -18.483 0.52 35.92 ? 28 ASP A H 1 -ATOM 657 H HA . ASP A 1 38 ? 15.046 3.459 -17.695 1.00 29.58 ? 28 ASP A HA 1 -ATOM 658 H HB2 . ASP A 1 38 ? 16.665 5.141 -18.178 1.00 29.96 ? 28 ASP A HB2 1 -ATOM 659 H HB3 . ASP A 1 38 ? 15.987 6.045 -17.061 1.00 29.96 ? 28 ASP A HB3 1 -ATOM 660 N N . ARG A 1 39 ? 13.606 3.296 -15.777 1.00 25.33 ? 29 ARG A N 1 -ATOM 661 C CA . ARG A 1 39 ? 12.703 3.173 -14.627 1.00 29.67 ? 29 ARG A CA 1 -ATOM 662 C C . ARG A 1 39 ? 13.128 4.074 -13.466 1.00 21.98 ? 29 ARG A C 1 -ATOM 663 O O . ARG A 1 39 ? 12.301 4.684 -12.789 1.00 21.96 ? 29 ARG A O 1 -ATOM 664 C CB . ARG A 1 39 ? 12.705 1.697 -14.158 1.00 31.35 ? 29 ARG A CB 1 -ATOM 665 C CG . ARG A 1 39 ? 11.356 1.081 -13.919 1.00 78.29 ? 29 ARG A CG 1 -ATOM 666 C CD . ARG A 1 39 ? 11.266 -0.394 -14.382 1.00 90.52 ? 29 ARG A CD 1 -ATOM 667 N NE . ARG A 1 39 ? 12.447 -1.225 -14.099 1.00 47.15 ? 29 ARG A NE 1 -ATOM 668 C CZ . ARG A 1 39 ? 13.093 -1.963 -15.009 1.00 57.27 ? 29 ARG A CZ 1 -ATOM 669 N NH1 . ARG A 1 39 ? 14.149 -2.705 -14.665 1.00 53.54 ? 29 ARG A NH1 1 -ATOM 670 N NH2 . ARG A 1 39 ? 12.677 -1.996 -16.262 1.00 51.03 ? 29 ARG A NH2 1 -ATOM 671 H H . ARG A 1 39 ? 13.905 2.536 -16.046 1.00 30.40 ? 29 ARG A H 1 -ATOM 672 H HA . ARG A 1 39 ? 11.810 3.438 -14.896 1.00 35.60 ? 29 ARG A HA 1 -ATOM 673 H HB2 . ARG A 1 39 ? 13.148 1.163 -14.837 1.00 37.62 ? 29 ARG A HB2 1 -ATOM 674 H HB3 . ARG A 1 39 ? 13.196 1.644 -13.323 1.00 37.62 ? 29 ARG A HB3 1 -ATOM 675 H HG2 . ARG A 1 39 ? 11.162 1.107 -12.969 1.00 93.95 ? 29 ARG A HG2 1 -ATOM 676 H HG3 . ARG A 1 39 ? 10.688 1.588 -14.408 1.00 93.95 ? 29 ARG A HG3 1 -ATOM 677 H HD2 . ARG A 1 39 ? 10.510 -0.807 -13.936 1.00 108.63 ? 29 ARG A HD2 1 -ATOM 678 H HD3 . ARG A 1 39 ? 11.131 -0.404 -15.342 1.00 108.63 ? 29 ARG A HD3 1 -ATOM 679 H HE . ARG A 1 39 ? 12.743 -1.238 -13.291 1.00 56.58 ? 29 ARG A HE 1 -ATOM 680 H HH11 . ARG A 1 39 ? 14.422 -2.712 -13.849 1.00 64.25 ? 29 ARG A HH11 1 -ATOM 681 H HH12 . ARG A 1 39 ? 14.556 -3.175 -15.258 1.00 64.25 ? 29 ARG A HH12 1 -ATOM 682 H HH21 . ARG A 1 39 ? 11.987 -1.541 -16.498 1.00 61.24 ? 29 ARG A HH21 1 -ATOM 683 H HH22 . ARG A 1 39 ? 13.097 -2.472 -16.842 1.00 61.24 ? 29 ARG A HH22 1 -ATOM 684 N N . GLY A 1 40 ? 14.437 4.185 -13.226 1.00 24.21 ? 30 GLY A N 1 -ATOM 685 C CA . GLY A 1 40 ? 14.889 5.005 -12.107 1.00 23.32 ? 30 GLY A CA 1 -ATOM 686 C C . GLY A 1 40 ? 14.827 6.495 -12.359 1.00 21.31 ? 30 GLY A C 1 -ATOM 687 O O . GLY A 1 40 ? 14.447 7.262 -11.455 1.00 22.83 ? 30 GLY A O 1 -ATOM 688 H H . GLY A 1 40 ? 15.061 3.809 -13.682 1.00 29.05 ? 30 GLY A H 1 -ATOM 689 H HA2 . GLY A 1 40 ? 14.336 4.810 -11.334 1.00 27.98 ? 30 GLY A HA2 1 -ATOM 690 H HA3 . GLY A 1 40 ? 15.809 4.775 -11.903 1.00 27.98 ? 30 GLY A HA3 1 -ATOM 691 N N . PHE A 1 41 ? 15.061 6.948 -13.602 1.00 19.68 ? 31 PHE A N 1 -ATOM 692 C CA . PHE A 1 41 ? 14.808 8.325 -13.925 1.00 18.52 ? 31 PHE A CA 1 -ATOM 693 C C . PHE A 1 41 ? 13.327 8.620 -13.743 1.00 20.45 ? 31 PHE A C 1 -ATOM 694 O O . PHE A 1 41 ? 12.938 9.642 -13.173 1.00 18.84 ? 31 PHE A O 1 -ATOM 695 C CB . PHE A 1 41 ? 15.208 8.640 -15.376 1.00 19.78 ? 31 PHE A CB 1 -ATOM 696 C CG . PHE A 1 41 ? 14.752 9.986 -15.814 1.00 19.17 ? 31 PHE A CG 1 -ATOM 697 C CD1 . PHE A 1 41 ? 15.511 11.127 -15.489 1.00 20.65 ? 31 PHE A CD1 1 -ATOM 698 C CD2 . PHE A 1 41 ? 13.553 10.178 -16.488 1.00 19.94 ? 31 PHE A CD2 1 -ATOM 699 C CE1 . PHE A 1 41 ? 15.062 12.356 -15.823 1.00 22.07 ? 31 PHE A CE1 1 -ATOM 700 C CE2 . PHE A 1 41 ? 13.118 11.444 -16.862 1.00 19.97 ? 31 PHE A CE2 1 -ATOM 701 C CZ . PHE A 1 41 ? 13.860 12.531 -16.507 1.00 21.88 ? 31 PHE A CZ 1 -ATOM 702 H H . PHE A 1 41 ? 15.360 6.472 -14.253 1.00 23.62 ? 31 PHE A H 1 -ATOM 703 H HA . PHE A 1 41 ? 15.345 8.884 -13.342 1.00 22.22 ? 31 PHE A HA 1 -ATOM 704 H HB2 . PHE A 1 41 ? 16.175 8.610 -15.451 1.00 23.73 ? 31 PHE A HB2 1 -ATOM 705 H HB3 . PHE A 1 41 ? 14.810 7.980 -15.964 1.00 23.73 ? 31 PHE A HB3 1 -ATOM 706 H HD1 . PHE A 1 41 ? 16.322 11.034 -15.044 1.00 24.78 ? 31 PHE A HD1 1 -ATOM 707 H HD2 . PHE A 1 41 ? 13.028 9.440 -16.696 1.00 23.92 ? 31 PHE A HD2 1 -ATOM 708 H HE1 . PHE A 1 41 ? 15.566 13.103 -15.592 1.00 26.49 ? 31 PHE A HE1 1 -ATOM 709 H HE2 . PHE A 1 41 ? 12.332 11.548 -17.348 1.00 23.96 ? 31 PHE A HE2 1 -ATOM 710 H HZ . PHE A 1 41 ? 13.565 13.387 -16.720 1.00 26.26 ? 31 PHE A HZ 1 -ATOM 711 N N . ASN A 1 42 ? 12.469 7.753 -14.305 1.00 20.34 ? 32 ASN A N 1 -ATOM 712 C CA . ASN A 1 42 ? 11.019 8.020 -14.231 1.00 17.41 ? 32 ASN A CA 1 -ATOM 713 C C . ASN A 1 42 ? 10.556 8.086 -12.782 1.00 17.79 ? 32 ASN A C 1 -ATOM 714 O O . ASN A 1 42 ? 9.747 8.951 -12.429 1.00 18.13 ? 32 ASN A O 1 -ATOM 715 C CB . ASN A 1 42 ? 10.252 6.925 -14.971 1.00 18.49 ? 32 ASN A CB 1 -ATOM 716 C CG . ASN A 1 42 ? 10.441 6.964 -16.470 1.00 19.20 ? 32 ASN A CG 1 -ATOM 717 O OD1 . ASN A 1 42 ? 10.930 7.922 -17.022 1.00 18.92 ? 32 ASN A OD1 1 -ATOM 718 N ND2 . ASN A 1 42 ? 10.055 5.899 -17.111 1.00 19.95 ? 32 ASN A ND2 1 -ATOM 719 H H . ASN A 1 42 ? 12.689 7.032 -14.719 1.00 24.41 ? 32 ASN A H 1 -ATOM 720 H HA . ASN A 1 42 ? 10.831 8.870 -14.659 1.00 20.89 ? 32 ASN A HA 1 -ATOM 721 H HB2 . ASN A 1 42 ? 10.559 6.061 -14.656 1.00 22.19 ? 32 ASN A HB2 1 -ATOM 722 H HB3 . ASN A 1 42 ? 9.305 7.028 -14.788 1.00 22.19 ? 32 ASN A HB3 1 -ATOM 723 H HD21 . ASN A 1 42 ? 10.136 5.859 -17.967 1.00 23.94 ? 32 ASN A HD21 1 -ATOM 724 H HD22 . ASN A 1 42 ? 9.720 5.235 -16.679 1.00 23.94 ? 32 ASN A HD22 1 -ATOM 725 N N . GLU A 1 43 ? 11.053 7.180 -11.949 1.00 18.03 ? 33 GLU A N 1 -ATOM 726 C CA . GLU A 1 43 ? 10.660 7.192 -10.540 1.00 17.08 ? 33 GLU A CA 1 -ATOM 727 C C . GLU A 1 43 ? 11.083 8.495 -9.864 1.00 20.17 ? 33 GLU A C 1 -ATOM 728 O O . GLU A 1 43 ? 10.331 9.057 -9.082 1.00 18.96 ? 33 GLU A O 1 -ATOM 729 C CB . GLU A 1 43 ? 11.183 5.942 -9.856 1.00 23.68 ? 33 GLU A CB 1 -ATOM 730 C CG . GLU A 1 43 ? 11.056 5.890 -8.367 1.00 55.69 ? 33 GLU A CG 1 -ATOM 731 C CD . GLU A 1 43 ? 11.293 4.482 -7.820 1.00 72.22 ? 33 GLU A CD 1 -ATOM 732 O OE1 . GLU A 1 43 ? 11.229 3.509 -8.603 1.00 50.70 ? 33 GLU A OE1 1 -ATOM 733 O OE2 . GLU A 1 43 ? 11.541 4.352 -6.606 1.00 92.30 ? 33 GLU A OE2 1 -ATOM 734 H H . GLU A 1 43 ? 11.606 6.558 -12.165 1.00 21.63 ? 33 GLU A H 1 -ATOM 735 H HA . GLU A 1 43 ? 9.694 7.158 -10.454 1.00 20.50 ? 33 GLU A HA 1 -ATOM 736 H HB2 . GLU A 1 43 ? 10.698 5.180 -10.210 1.00 28.41 ? 33 GLU A HB2 1 -ATOM 737 H HB3 . GLU A 1 43 ? 12.127 5.858 -10.064 1.00 28.41 ? 33 GLU A HB3 1 -ATOM 738 H HG2 . GLU A 1 43 ? 11.712 6.484 -7.970 1.00 66.82 ? 33 GLU A HG2 1 -ATOM 739 H HG3 . GLU A 1 43 ? 10.161 6.167 -8.114 1.00 66.82 ? 33 GLU A HG3 1 -ATOM 740 N N . ALA A 1 44 ? 12.271 9.001 -10.157 1.00 19.26 ? 34 ALA A N 1 -ATOM 741 C CA . ALA A 1 44 ? 12.705 10.289 -9.616 1.00 20.20 ? 34 ALA A CA 1 -ATOM 742 C C . ALA A 1 44 ? 11.850 11.437 -10.119 1.00 18.18 ? 34 ALA A C 1 -ATOM 743 O O . ALA A 1 44 ? 11.529 12.359 -9.358 1.00 19.56 ? 34 ALA A O 1 -ATOM 744 C CB . ALA A 1 44 ? 14.176 10.523 -9.982 1.00 21.17 ? 34 ALA A CB 1 -ATOM 745 H H . ALA A 1 44 ? 12.850 8.623 -10.668 1.00 23.11 ? 34 ALA A H 1 -ATOM 746 H HA . ALA A 1 44 ? 12.618 10.265 -8.650 1.00 24.24 ? 34 ALA A HA 1 -ATOM 747 H HB1 . ALA A 1 44 ? 14.457 11.381 -9.628 1.00 25.41 ? 34 ALA A HB1 1 -ATOM 748 H HB2 . ALA A 1 44 ? 14.714 9.813 -9.596 1.00 25.41 ? 34 ALA A HB2 1 -ATOM 749 H HB3 . ALA A 1 44 ? 14.265 10.518 -10.948 1.00 25.41 ? 34 ALA A HB3 1 -ATOM 750 N N . LEU A 1 45 ? 11.454 11.407 -11.398 1.00 16.86 ? 35 LEU A N 1 -ATOM 751 C CA . LEU A 1 45 ? 10.543 12.410 -11.930 1.00 16.72 ? 35 LEU A CA 1 -ATOM 752 C C . LEU A 1 45 ? 9.192 12.367 -11.207 1.00 16.31 ? 35 LEU A C 1 -ATOM 753 O O . LEU A 1 45 ? 8.649 13.413 -10.845 1.00 16.63 ? 35 LEU A O 1 -ATOM 754 C CB . LEU A 1 45 ? 10.353 12.170 -13.430 1.00 16.41 ? 35 LEU A CB 1 -ATOM 755 C CG . LEU A 1 45 ? 9.379 13.074 -14.141 1.00 16.77 ? 35 LEU A CG 1 -ATOM 756 C CD1 . LEU A 1 45 ? 9.919 14.524 -14.192 1.00 21.67 ? 35 LEU A CD1 1 -ATOM 757 C CD2 . LEU A 1 45 ? 9.043 12.585 -15.557 1.00 19.98 ? 35 LEU A CD2 1 -ATOM 758 H H . LEU A 1 45 ? 11.700 10.816 -11.972 1.00 20.24 ? 35 LEU A H 1 -ATOM 759 H HA . LEU A 1 45 ? 10.925 13.292 -11.798 1.00 20.06 ? 35 LEU A HA 1 -ATOM 760 H HB2 . LEU A 1 45 ? 11.214 12.282 -13.863 1.00 19.70 ? 35 LEU A HB2 1 -ATOM 761 H HB3 . LEU A 1 45 ? 10.037 11.261 -13.551 1.00 19.70 ? 35 LEU A HB3 1 -ATOM 762 H HG . LEU A 1 45 ? 8.552 13.062 -13.635 1.00 20.12 ? 35 LEU A HG 1 -ATOM 763 H HD11 . LEU A 1 45 ? 9.301 15.073 -14.698 1.00 26.01 ? 35 LEU A HD11 1 -ATOM 764 H HD12 . LEU A 1 45 ? 9.999 14.863 -13.286 1.00 26.01 ? 35 LEU A HD12 1 -ATOM 765 H HD13 . LEU A 1 45 ? 10.789 14.522 -14.622 1.00 26.01 ? 35 LEU A HD13 1 -ATOM 766 H HD21 . LEU A 1 45 ? 8.405 13.196 -15.959 1.00 23.97 ? 35 LEU A HD21 1 -ATOM 767 H HD22 . LEU A 1 45 ? 9.856 12.562 -16.085 1.00 23.97 ? 35 LEU A HD22 1 -ATOM 768 H HD23 . LEU A 1 45 ? 8.659 11.696 -15.501 1.00 23.97 ? 35 LEU A HD23 1 -ATOM 769 N N . PHE A 1 46 ? 8.647 11.162 -11.008 1.00 15.68 ? 36 PHE A N 1 -ATOM 770 C CA . PHE A 1 46 ? 7.380 11.026 -10.276 1.00 15.06 ? 36 PHE A CA 1 -ATOM 771 C C . PHE A 1 46 ? 7.518 11.536 -8.849 1.00 17.02 ? 36 PHE A C 1 -ATOM 772 O O . PHE A 1 46 ? 6.591 12.203 -8.363 1.00 17.67 ? 36 PHE A O 1 -ATOM 773 C CB . PHE A 1 46 ? 6.913 9.573 -10.277 1.00 15.75 ? 36 PHE A CB 1 -ATOM 774 C CG . PHE A 1 46 ? 6.705 8.954 -11.645 1.00 14.46 ? 36 PHE A CG 1 -ATOM 775 C CD1 . PHE A 1 46 ? 6.279 9.729 -12.741 1.00 15.56 ? 36 PHE A CD1 1 -ATOM 776 C CD2 . PHE A 1 46 ? 6.932 7.649 -11.820 1.00 16.19 ? 36 PHE A CD2 1 -ATOM 777 C CE1 . PHE A 1 46 ? 6.115 9.155 -13.941 1.00 15.57 ? 36 PHE A CE1 1 -ATOM 778 C CE2 . PHE A 1 46 ? 6.799 7.067 -13.088 1.00 18.27 ? 36 PHE A CE2 1 -ATOM 779 C CZ . PHE A 1 46 ? 6.391 7.842 -14.155 1.00 15.99 ? 36 PHE A CZ 1 -ATOM 780 H H . PHE A 1 46 ? 8.984 10.419 -11.280 1.00 18.81 ? 36 PHE A H 1 -ATOM 781 H HA . PHE A 1 46 ? 6.704 11.554 -10.728 1.00 18.08 ? 36 PHE A HA 1 -ATOM 782 H HB2 . PHE A 1 46 ? 7.579 9.038 -9.817 1.00 18.90 ? 36 PHE A HB2 1 -ATOM 783 H HB3 . PHE A 1 46 ? 6.066 9.524 -9.806 1.00 18.90 ? 36 PHE A HB3 1 -ATOM 784 H HD1 . PHE A 1 46 ? 6.110 10.637 -12.632 1.00 18.67 ? 36 PHE A HD1 1 -ATOM 785 H HD2 . PHE A 1 46 ? 7.181 7.123 -11.095 1.00 19.43 ? 36 PHE A HD2 1 -ATOM 786 H HE1 . PHE A 1 46 ? 5.804 9.672 -14.649 1.00 18.68 ? 36 PHE A HE1 1 -ATOM 787 H HE2 . PHE A 1 46 ? 6.985 6.164 -13.210 1.00 21.92 ? 36 PHE A HE2 1 -ATOM 788 H HZ . PHE A 1 46 ? 6.305 7.472 -15.005 1.00 19.19 ? 36 PHE A HZ 1 -ATOM 789 N N . LYS A 1 47 ? 8.628 11.248 -8.186 1.00 16.80 ? 37 LYS A N 1 -ATOM 790 C CA . LYS A 1 47 ? 8.811 11.726 -6.810 1.00 17.75 ? 37 LYS A CA 1 -ATOM 791 C C . LYS A 1 47 ? 8.955 13.239 -6.750 1.00 20.35 ? 37 LYS A C 1 -ATOM 792 O O . LYS A 1 47 ? 8.465 13.865 -5.808 1.00 18.67 ? 37 LYS A O 1 -ATOM 793 C CB . LYS A 1 47 ? 9.997 11.020 -6.181 1.00 21.93 ? 37 LYS A CB 1 -ATOM 794 C CG . LYS A 1 47 ? 9.723 9.582 -5.822 1.00 25.16 ? 37 LYS A CG 1 -ATOM 795 C CD . LYS A 1 47 ? 11.000 8.941 -5.281 1.00 51.44 ? 37 LYS A CD 1 -ATOM 796 C CE . LYS A 1 47 ? 10.782 7.506 -4.876 1.00 71.22 ? 37 LYS A CE 1 -ATOM 797 N NZ . LYS A 1 47 ? 12.096 6.810 -4.728 1.00 74.43 ? 37 LYS A NZ 1 -ATOM 798 H H . LYS A 1 47 ? 9.284 10.787 -8.498 1.00 20.16 ? 37 LYS A H 1 -ATOM 799 H HA . LYS A 1 47 ? 8.024 11.503 -6.288 1.00 21.30 ? 37 LYS A HA 1 -ATOM 800 H HB2 . LYS A 1 47 ? 10.737 11.033 -6.808 1.00 26.32 ? 37 LYS A HB2 1 -ATOM 801 H HB3 . LYS A 1 47 ? 10.243 11.487 -5.367 1.00 26.32 ? 37 LYS A HB3 1 -ATOM 802 H HG2 . LYS A 1 47 ? 9.036 9.538 -5.138 1.00 30.19 ? 37 LYS A HG2 1 -ATOM 803 H HG3 . LYS A 1 47 ? 9.437 9.094 -6.610 1.00 30.19 ? 37 LYS A HG3 1 -ATOM 804 H HD2 . LYS A 1 47 ? 11.683 8.961 -5.969 1.00 61.73 ? 37 LYS A HD2 1 -ATOM 805 H HD3 . LYS A 1 47 ? 11.299 9.433 -4.501 1.00 61.73 ? 37 LYS A HD3 1 -ATOM 806 H HE2 . LYS A 1 47 ? 10.315 7.473 -4.027 1.00 85.46 ? 37 LYS A HE2 1 -ATOM 807 H HE3 . LYS A 1 47 ? 10.264 7.049 -5.557 1.00 85.46 ? 37 LYS A HE3 1 -ATOM 808 H HZ1 . LYS A 1 47 ? 12.589 7.217 -4.109 1.00 89.32 ? 37 LYS A HZ1 1 -ATOM 809 H HZ2 . LYS A 1 47 ? 11.967 5.964 -4.484 1.00 89.32 ? 37 LYS A HZ2 1 -ATOM 810 H HZ3 . LYS A 1 47 ? 12.537 6.823 -5.502 1.00 89.32 ? 37 LYS A HZ3 1 -ATOM 811 N N . LEU A 1 48 ? 9.600 13.860 -7.742 1.00 18.55 ? 38 LEU A N 1 -ATOM 812 C CA . LEU A 1 48 ? 9.656 15.311 -7.805 1.00 18.75 ? 38 LEU A CA 1 -ATOM 813 C C . LEU A 1 48 ? 8.272 15.910 -7.944 1.00 17.65 ? 38 LEU A C 1 -ATOM 814 O O . LEU A 1 48 ? 7.915 16.867 -7.235 1.00 17.53 ? 38 LEU A O 1 -ATOM 815 C CB . LEU A 1 48 ? 10.579 15.739 -8.946 1.00 20.13 ? 38 LEU A CB 1 -ATOM 816 C CG . LEU A 1 48 ? 10.662 17.248 -9.176 1.00 19.78 ? 38 LEU A CG 1 -ATOM 817 C CD1 . LEU A 1 48 ? 11.070 18.007 -7.940 1.00 20.40 ? 38 LEU A CD1 1 -ATOM 818 C CD2 . LEU A 1 48 ? 11.661 17.495 -10.330 1.00 21.02 ? 38 LEU A CD2 1 -ATOM 819 H H . LEU A 1 48 ? 10.009 13.462 -8.385 1.00 22.26 ? 38 LEU A H 1 -ATOM 820 H HA . LEU A 1 48 ? 10.031 15.655 -6.979 1.00 22.51 ? 38 LEU A HA 1 -ATOM 821 H HB2 . LEU A 1 48 ? 11.476 15.424 -8.749 1.00 24.16 ? 38 LEU A HB2 1 -ATOM 822 H HB3 . LEU A 1 48 ? 10.259 15.336 -9.768 1.00 24.16 ? 38 LEU A HB3 1 -ATOM 823 H HG . LEU A 1 48 ? 9.784 17.589 -9.407 1.00 23.74 ? 38 LEU A HG 1 -ATOM 824 H HD11 . LEU A 1 48 ? 11.216 18.937 -8.174 1.00 24.48 ? 38 LEU A HD11 1 -ATOM 825 H HD12 . LEU A 1 48 ? 10.362 17.939 -7.280 1.00 24.48 ? 38 LEU A HD12 1 -ATOM 826 H HD13 . LEU A 1 48 ? 11.888 17.622 -7.588 1.00 24.48 ? 38 LEU A HD13 1 -ATOM 827 H HD21 . LEU A 1 48 ? 11.728 18.449 -10.492 1.00 25.22 ? 38 LEU A HD21 1 -ATOM 828 H HD22 . LEU A 1 48 ? 12.529 17.141 -10.078 1.00 25.22 ? 38 LEU A HD22 1 -ATOM 829 H HD23 . LEU A 1 48 ? 11.340 17.047 -11.128 1.00 25.22 ? 38 LEU A HD23 1 -ATOM 830 N N . ALA A 1 49 ? 7.490 15.394 -8.885 1.00 16.48 ? 39 ALA A N 1 -ATOM 831 C CA . ALA A 1 49 ? 6.141 15.878 -9.061 1.00 15.27 ? 39 ALA A CA 1 -ATOM 832 C C . ALA A 1 49 ? 5.304 15.676 -7.791 1.00 15.99 ? 39 ALA A C 1 -ATOM 833 O O . ALA A 1 49 ? 4.569 16.590 -7.399 1.00 15.49 ? 39 ALA A O 1 -ATOM 834 C CB . ALA A 1 49 ? 5.483 15.203 -10.251 1.00 15.62 ? 39 ALA A CB 1 -ATOM 835 H H . ALA A 1 49 ? 7.720 14.768 -9.428 1.00 19.78 ? 39 ALA A H 1 -ATOM 836 H HA . ALA A 1 49 ? 6.180 16.830 -9.247 1.00 18.33 ? 39 ALA A HA 1 -ATOM 837 H HB1 . ALA A 1 49 ? 4.594 15.574 -10.372 1.00 18.74 ? 39 ALA A HB1 1 -ATOM 838 H HB2 . ALA A 1 49 ? 6.019 15.365 -11.042 1.00 18.74 ? 39 ALA A HB2 1 -ATOM 839 H HB3 . ALA A 1 49 ? 5.423 14.250 -10.080 1.00 18.74 ? 39 ALA A HB3 1 -ATOM 840 N N . ASP A 1 50 ? 5.446 14.512 -7.168 1.00 15.31 ? 40 ASP A N 1 -ATOM 841 C CA . ASP A 1 50 ? 4.734 14.285 -5.912 1.00 15.70 ? 40 ASP A CA 1 -ATOM 842 C C . ASP A 1 50 ? 5.153 15.260 -4.831 1.00 16.42 ? 40 ASP A C 1 -ATOM 843 O O . ASP A 1 50 ? 4.271 15.735 -4.082 1.00 16.92 ? 40 ASP A O 1 -ATOM 844 C CB . ASP A 1 50 ? 4.940 12.844 -5.500 1.00 15.92 ? 40 ASP A CB 1 -ATOM 845 C CG . ASP A 1 50 ? 4.187 12.483 -4.257 1.00 17.30 ? 40 ASP A CG 1 -ATOM 846 O OD1 . ASP A 1 50 ? 2.935 12.348 -4.322 1.00 18.21 ? 40 ASP A OD1 1 -ATOM 847 O OD2 . ASP A 1 50 ? 4.830 12.307 -3.200 1.00 19.08 ? 40 ASP A OD2 1 -ATOM 848 H H . ASP A 1 50 ? 5.932 13.857 -7.440 1.00 18.37 ? 40 ASP A H 1 -ATOM 849 H HA . ASP A 1 50 ? 3.784 14.433 -6.040 1.00 18.84 ? 40 ASP A HA 1 -ATOM 850 H HB2 . ASP A 1 50 ? 4.634 12.264 -6.215 1.00 19.10 ? 40 ASP A HB2 1 -ATOM 851 H HB3 . ASP A 1 50 ? 5.884 12.695 -5.333 1.00 19.10 ? 40 ASP A HB3 1 -ATOM 852 N N . GLU A 1 51 ? 6.424 15.601 -4.749 1.00 16.59 ? 41 GLU A N 1 -ATOM 853 C CA . GLU A 1 51 ? 6.870 16.557 -3.761 1.00 18.01 ? 41 GLU A CA 1 -ATOM 854 C C . GLU A 1 51 ? 6.222 17.910 -4.013 1.00 17.40 ? 41 GLU A C 1 -ATOM 855 O O . GLU A 1 51 ? 5.769 18.582 -3.089 1.00 19.33 ? 41 GLU A O 1 -ATOM 856 C CB . GLU A 1 51 ? 8.383 16.679 -3.854 1.00 22.96 ? 41 GLU A CB 1 -ATOM 857 C CG . GLU A 1 51 ? 8.954 17.582 -2.864 1.00 29.44 ? 41 GLU A CG 1 -ATOM 858 C CD . GLU A 1 51 ? 10.469 17.656 -3.021 1.00 67.73 ? 41 GLU A CD 1 -ATOM 859 O OE1 . GLU A 1 51 ? 10.964 18.469 -3.827 1.00 63.26 ? 41 GLU A OE1 1 -ATOM 860 O OE2 . GLU A 1 51 ? 11.151 16.864 -2.364 1.00 39.00 ? 41 GLU A OE2 1 -ATOM 861 H H . GLU A 1 51 ? 7.049 15.293 -5.253 1.00 19.91 ? 41 GLU A H 1 -ATOM 862 H HA . GLU A 1 51 ? 6.628 16.257 -2.871 1.00 21.61 ? 41 GLU A HA 1 -ATOM 863 H HB2 . GLU A 1 51 ? 8.776 15.803 -3.720 1.00 27.55 ? 41 GLU A HB2 1 -ATOM 864 H HB3 . GLU A 1 51 ? 8.616 17.016 -4.733 1.00 27.55 ? 41 GLU A HB3 1 -ATOM 865 H HG2 . GLU A 1 51 ? 8.587 18.471 -2.985 1.00 35.32 ? 41 GLU A HG2 1 -ATOM 866 H HG3 . GLU A 1 51 ? 8.751 17.257 -1.973 1.00 35.32 ? 41 GLU A HG3 1 -ATOM 867 N N . ILE A 1 52 ? 6.212 18.356 -5.264 1.00 16.07 ? 42 ILE A N 1 -ATOM 868 C CA . ILE A 1 52 ? 5.657 19.648 -5.587 1.00 16.14 ? 42 ILE A CA 1 -ATOM 869 C C . ILE A 1 52 ? 4.165 19.640 -5.278 1.00 16.02 ? 42 ILE A C 1 -ATOM 870 O O . ILE A 1 52 ? 3.606 20.636 -4.764 1.00 16.74 ? 42 ILE A O 1 -ATOM 871 C CB . ILE A 1 52 ? 5.960 19.997 -7.073 1.00 16.03 ? 42 ILE A CB 1 -ATOM 872 C CG1 . ILE A 1 52 ? 7.449 20.208 -7.205 1.00 20.85 ? 42 ILE A CG1 1 -ATOM 873 C CG2 . ILE A 1 52 ? 5.197 21.194 -7.536 1.00 17.03 ? 42 ILE A CG2 1 -ATOM 874 C CD1 . ILE A 1 52 ? 7.933 20.471 -8.628 1.00 38.42 ? 42 ILE A CD1 1 -ATOM 875 H H . ILE A 1 52 ? 6.522 17.925 -5.940 1.00 19.28 ? 42 ILE A H 1 -ATOM 876 H HA . ILE A 1 52 ? 6.072 20.336 -5.043 1.00 19.37 ? 42 ILE A HA 1 -ATOM 877 H HB . ILE A 1 52 ? 5.673 19.264 -7.639 1.00 19.23 ? 42 ILE A HB 1 -ATOM 878 H HG12 . ILE A 1 52 ? 7.701 20.973 -6.665 1.00 25.02 ? 42 ILE A HG12 1 -ATOM 879 H HG13 . ILE A 1 52 ? 7.902 19.412 -6.884 1.00 25.02 ? 42 ILE A HG13 1 -ATOM 880 H HG21 . ILE A 1 52 ? 5.479 21.418 -8.437 1.00 20.44 ? 42 ILE A HG21 1 -ATOM 881 H HG22 . ILE A 1 52 ? 4.250 20.987 -7.527 1.00 20.44 ? 42 ILE A HG22 1 -ATOM 882 H HG23 . ILE A 1 52 ? 5.380 21.936 -6.939 1.00 20.44 ? 42 ILE A HG23 1 -ATOM 883 H HD11 . ILE A 1 52 ? 8.888 20.309 -8.672 1.00 46.10 ? 42 ILE A HD11 1 -ATOM 884 H HD12 . ILE A 1 52 ? 7.468 19.873 -9.235 1.00 46.10 ? 42 ILE A HD12 1 -ATOM 885 H HD13 . ILE A 1 52 ? 7.742 21.393 -8.861 1.00 46.10 ? 42 ILE A HD13 1 -ATOM 886 N N . ARG A 1 53 ? 3.482 18.550 -5.605 1.00 15.25 ? 43 ARG A N 1 -ATOM 887 C CA . ARG A 1 53 ? 2.067 18.413 -5.268 1.00 14.48 ? 43 ARG A CA 1 -ATOM 888 C C . ARG A 1 53 ? 1.856 18.560 -3.755 1.00 15.39 ? 43 ARG A C 1 -ATOM 889 O O . ARG A 1 53 ? 0.986 19.356 -3.333 1.00 16.46 ? 43 ARG A O 1 -ATOM 890 C CB . ARG A 1 53 ? 1.573 17.074 -5.793 1.00 15.04 ? 43 ARG A CB 1 -ATOM 891 C CG . ARG A 1 53 ? 0.096 16.746 -5.675 1.00 15.02 ? 43 ARG A CG 1 -ATOM 892 C CD . ARG A 1 53 ? -0.320 16.279 -4.259 1.00 15.04 ? 43 ARG A CD 1 -ATOM 893 N NE . ARG A 1 53 ? 0.339 15.055 -3.901 1.00 15.94 ? 43 ARG A NE 1 -ATOM 894 C CZ . ARG A 1 53 ? 0.364 14.512 -2.692 1.00 15.20 ? 43 ARG A CZ 1 -ATOM 895 N NH1 . ARG A 1 53 ? -0.247 15.148 -1.690 1.00 17.18 ? 43 ARG A NH1 1 -ATOM 896 N NH2 . ARG A 1 53 ? 0.986 13.396 -2.466 1.00 16.41 ? 43 ARG A NH2 1 -ATOM 897 H H . ARG A 1 53 ? 3.811 17.874 -6.023 1.00 18.30 ? 43 ARG A H 1 -ATOM 898 H HA . ARG A 1 53 ? 1.544 19.110 -5.694 1.00 17.37 ? 43 ARG A HA 1 -ATOM 899 H HB2 . ARG A 1 53 ? 1.790 17.032 -6.738 1.00 18.05 ? 43 ARG A HB2 1 -ATOM 900 H HB3 . ARG A 1 53 ? 2.049 16.378 -5.313 1.00 18.05 ? 43 ARG A HB3 1 -ATOM 901 H HG2 . ARG A 1 53 ? -0.420 17.539 -5.889 1.00 18.03 ? 43 ARG A HG2 1 -ATOM 902 H HG3 . ARG A 1 53 ? -0.118 16.034 -6.298 1.00 18.03 ? 43 ARG A HG3 1 -ATOM 903 H HD2 . ARG A 1 53 ? -0.078 16.959 -3.611 1.00 18.05 ? 43 ARG A HD2 1 -ATOM 904 H HD3 . ARG A 1 53 ? -1.278 16.128 -4.238 1.00 18.05 ? 43 ARG A HD3 1 -ATOM 905 H HE . ARG A 1 53 ? 0.755 14.637 -4.527 1.00 19.12 ? 43 ARG A HE 1 -ATOM 906 H HH11 . ARG A 1 53 ? -0.647 15.895 -1.835 1.00 20.62 ? 43 ARG A HH11 1 -ATOM 907 H HH12 . ARG A 1 53 ? -0.240 14.810 -0.899 1.00 20.62 ? 43 ARG A HH12 1 -ATOM 908 H HH21 . ARG A 1 53 ? 1.393 12.993 -3.108 1.00 19.69 ? 43 ARG A HH21 1 -ATOM 909 H HH22 . ARG A 1 53 ? 0.991 13.059 -1.675 1.00 19.69 ? 43 ARG A HH22 1 -ATOM 910 N N . ARG A 1 54 ? 2.628 17.821 -2.959 1.00 15.34 ? 44 ARG A N 1 -ATOM 911 C CA . ARG A 1 54 ? 2.494 17.939 -1.507 1.00 16.73 ? 44 ARG A CA 1 -ATOM 912 C C . ARG A 1 54 ? 2.653 19.384 -1.063 1.00 18.65 ? 44 ARG A C 1 -ATOM 913 O O . ARG A 1 54 ? 1.925 19.849 -0.173 1.00 20.75 ? 44 ARG A O 1 -ATOM 914 C CB . ARG A 1 54 ? 3.568 17.082 -0.859 1.00 18.28 ? 44 ARG A CB 1 -ATOM 915 C CG . ARG A 1 54 ? 3.325 15.587 -0.936 1.00 17.16 ? 44 ARG A CG 1 -ATOM 916 C CD . ARG A 1 54 ? 4.542 14.812 -0.555 1.00 20.11 ? 44 ARG A CD 1 -ATOM 917 N NE . ARG A 1 54 ? 4.378 13.385 -0.688 1.00 22.23 ? 44 ARG A NE 1 -ATOM 918 C CZ . ARG A 1 54 ? 3.863 12.570 0.204 0.89 26.85 ? 44 ARG A CZ 1 -ATOM 919 N NH1 . ARG A 1 54 ? 3.474 13.031 1.403 0.70 23.89 ? 44 ARG A NH1 1 -ATOM 920 N NH2 . ARG A 1 54 ? 3.802 11.268 -0.054 0.73 26.78 ? 44 ARG A NH2 1 -ATOM 921 H H . ARG A 1 54 ? 3.222 17.259 -3.227 1.00 18.40 ? 44 ARG A H 1 -ATOM 922 H HA . ARG A 1 54 ? 1.618 17.630 -1.228 1.00 20.07 ? 44 ARG A HA 1 -ATOM 923 H HB2 . ARG A 1 54 ? 4.413 17.263 -1.300 1.00 21.93 ? 44 ARG A HB2 1 -ATOM 924 H HB3 . ARG A 1 54 ? 3.626 17.320 0.080 1.00 21.93 ? 44 ARG A HB3 1 -ATOM 925 H HG2 . ARG A 1 54 ? 2.608 15.346 -0.329 1.00 20.59 ? 44 ARG A HG2 1 -ATOM 926 H HG3 . ARG A 1 54 ? 3.084 15.347 -1.845 1.00 20.59 ? 44 ARG A HG3 1 -ATOM 927 H HD2 . ARG A 1 54 ? 5.277 15.081 -1.127 1.00 24.13 ? 44 ARG A HD2 1 -ATOM 928 H HD3 . ARG A 1 54 ? 4.756 15.001 0.372 1.00 24.13 ? 44 ARG A HD3 1 -ATOM 929 H HE . ARG A 1 54 ? 4.645 13.033 -1.425 1.00 26.68 ? 44 ARG A HE 1 -ATOM 930 H HH11 . ARG A 1 54 ? 3.560 13.865 1.592 0.81 28.67 ? 44 ARG A HH11 1 -ATOM 931 H HH12 . ARG A 1 54 ? 3.137 12.492 1.982 0.81 28.67 ? 44 ARG A HH12 1 -ATOM 932 H HH21 . ARG A 1 54 ? 4.099 10.964 -0.801 0.75 32.13 ? 44 ARG A HH21 1 -ATOM 933 H HH22 . ARG A 1 54 ? 3.466 10.730 0.527 0.72 32.13 ? 44 ARG A HH22 1 -ATOM 934 N N . LYS A 1 55 ? 3.641 20.093 -1.582 1.00 17.59 ? 45 LYS A N 1 -ATOM 935 C CA . LYS A 1 55 ? 3.943 21.425 -1.109 1.00 19.63 ? 45 LYS A CA 1 -ATOM 936 C C . LYS A 1 55 ? 2.903 22.446 -1.506 1.00 17.14 ? 45 LYS A C 1 -ATOM 937 O O . LYS A 1 55 ? 2.642 23.378 -0.746 1.00 20.76 ? 45 LYS A O 1 -ATOM 938 C CB . LYS A 1 55 ? 5.340 21.769 -1.556 1.00 21.86 ? 45 LYS A CB 1 -ATOM 939 C CG . LYS A 1 55 ? 6.356 20.861 -0.881 1.00 22.37 ? 45 LYS A CG 1 -ATOM 940 C CD . LYS A 1 55 ? 7.779 21.328 -1.200 1.00 29.14 ? 45 LYS A CD 1 -ATOM 941 C CE . LYS A 1 55 ? 8.863 20.430 -0.500 1.00 25.72 ? 45 LYS A CE 1 -ATOM 942 N NZ . LYS A 1 55 ? 10.166 20.911 -0.707 1.00 29.81 ? 45 LYS A NZ 1 -ATOM 943 H H . LYS A 1 55 ? 4.156 19.821 -2.215 1.00 21.11 ? 45 LYS A H 1 -ATOM 944 H HA . LYS A 1 55 ? 3.926 21.450 -0.139 1.00 23.55 ? 45 LYS A HA 1 -ATOM 945 H HB2 . LYS A 1 55 ? 5.411 21.652 -2.516 1.00 26.24 ? 45 LYS A HB2 1 -ATOM 946 H HB3 . LYS A 1 55 ? 5.539 22.688 -1.317 1.00 26.24 ? 45 LYS A HB3 1 -ATOM 947 H HG2 . LYS A 1 55 ? 6.230 20.889 0.081 1.00 26.85 ? 45 LYS A HG2 1 -ATOM 948 H HG3 . LYS A 1 55 ? 6.248 19.953 -1.204 1.00 26.85 ? 45 LYS A HG3 1 -ATOM 949 H HD2 . LYS A 1 55 ? 7.922 21.284 -2.159 1.00 34.96 ? 45 LYS A HD2 1 -ATOM 950 H HD3 . LYS A 1 55 ? 7.894 22.240 -0.890 1.00 34.96 ? 45 LYS A HD3 1 -ATOM 951 H HE2 . LYS A 1 55 ? 8.695 20.414 0.456 1.00 30.87 ? 45 LYS A HE2 1 -ATOM 952 H HE3 . LYS A 1 55 ? 8.813 19.530 -0.860 1.00 30.87 ? 45 LYS A HE3 1 -ATOM 953 H HZ1 . LYS A 1 55 ? 10.754 20.381 -0.302 1.00 35.78 ? 45 LYS A HZ1 1 -ATOM 954 H HZ2 . LYS A 1 55 ? 10.347 20.932 -1.578 1.00 35.78 ? 45 LYS A HZ2 1 -ATOM 955 H HZ3 . LYS A 1 55 ? 10.242 21.734 -0.376 1.00 35.78 ? 45 LYS A HZ3 1 -ATOM 956 N N . TYR A 1 56 ? 2.337 22.364 -2.724 1.00 16.69 ? 46 TYR A N 1 -ATOM 957 C CA . TYR A 1 56 ? 1.540 23.458 -3.241 1.00 18.52 ? 46 TYR A CA 1 -ATOM 958 C C . TYR A 1 56 ? 0.057 23.194 -3.351 1.00 17.69 ? 46 TYR A C 1 -ATOM 959 O O . TYR A 1 56 ? -0.684 24.152 -3.441 1.00 20.41 ? 46 TYR A O 1 -ATOM 960 C CB . TYR A 1 56 ? 2.123 23.965 -4.576 1.00 17.94 ? 46 TYR A CB 1 -ATOM 961 C CG . TYR A 1 56 ? 3.490 24.570 -4.276 1.00 19.38 ? 46 TYR A CG 1 -ATOM 962 C CD1 . TYR A 1 56 ? 3.622 25.792 -3.647 1.00 20.13 ? 46 TYR A CD1 1 -ATOM 963 C CD2 . TYR A 1 56 ? 4.659 23.826 -4.494 1.00 20.97 ? 46 TYR A CD2 1 -ATOM 964 C CE1 . TYR A 1 56 ? 4.860 26.323 -3.295 1.00 25.17 ? 46 TYR A CE1 1 -ATOM 965 C CE2 . TYR A 1 56 ? 5.923 24.359 -4.105 1.00 22.79 ? 46 TYR A CE2 1 -ATOM 966 C CZ . TYR A 1 56 ? 6.003 25.587 -3.528 1.00 23.08 ? 46 TYR A CZ 1 -ATOM 967 O OH . TYR A 1 56 ? 7.240 26.077 -3.158 1.00 26.63 ? 46 TYR A OH 1 -ATOM 968 H H . TYR A 1 56 ? 2.408 21.689 -3.252 1.00 20.03 ? 46 TYR A H 1 -ATOM 969 H HA . TYR A 1 56 ? 1.603 24.198 -2.617 1.00 22.23 ? 46 TYR A HA 1 -ATOM 970 H HB2 . TYR A 1 56 ? 2.225 23.229 -5.199 1.00 21.53 ? 46 TYR A HB2 1 -ATOM 971 H HB3 . TYR A 1 56 ? 1.546 24.645 -4.958 1.00 21.53 ? 46 TYR A HB3 1 -ATOM 972 H HD1 . TYR A 1 56 ? 2.855 26.279 -3.451 1.00 24.16 ? 46 TYR A HD1 1 -ATOM 973 H HD2 . TYR A 1 56 ? 4.610 22.986 -4.892 1.00 25.16 ? 46 TYR A HD2 1 -ATOM 974 H HE1 . TYR A 1 56 ? 4.916 27.166 -2.906 1.00 30.20 ? 46 TYR A HE1 1 -ATOM 975 H HE2 . TYR A 1 56 ? 6.697 23.864 -4.248 1.00 27.35 ? 46 TYR A HE2 1 -ATOM 976 H HH . TYR A 1 56 ? 7.154 26.830 -2.796 1.00 31.96 ? 46 TYR A HH 1 -ATOM 977 N N . VAL A 1 57 ? -0.396 21.940 -3.340 1.00 17.59 ? 47 VAL A N 1 -ATOM 978 C CA . VAL A 1 57 ? -1.823 21.627 -3.249 1.00 16.90 ? 47 VAL A CA 1 -ATOM 979 C C . VAL A 1 57 ? -2.138 20.713 -2.077 1.00 17.01 ? 47 VAL A C 1 -ATOM 980 O O . VAL A 1 57 ? -3.325 20.439 -1.872 1.00 17.34 ? 47 VAL A O 1 -ATOM 981 C CB . VAL A 1 57 ? -2.417 21.084 -4.570 1.00 16.64 ? 47 VAL A CB 1 -ATOM 982 C CG1 . VAL A 1 57 ? -2.267 22.142 -5.707 1.00 16.02 ? 47 VAL A CG1 1 -ATOM 983 C CG2 . VAL A 1 57 ? -1.818 19.740 -4.971 1.00 15.98 ? 47 VAL A CG2 1 -ATOM 984 H H . VAL A 1 57 ? 0.109 21.246 -3.384 1.00 21.11 ? 47 VAL A H 1 -ATOM 985 H HA . VAL A 1 57 ? -2.298 22.459 -3.096 1.00 20.28 ? 47 VAL A HA 1 -ATOM 986 H HB . VAL A 1 57 ? -3.363 20.921 -4.426 1.00 19.96 ? 47 VAL A HB 1 -ATOM 987 H HG11 . VAL A 1 57 ? -2.693 21.805 -6.511 1.00 19.22 ? 47 VAL A HG11 1 -ATOM 988 H HG12 . VAL A 1 57 ? -2.692 22.968 -5.428 1.00 19.22 ? 47 VAL A HG12 1 -ATOM 989 H HG13 . VAL A 1 57 ? -1.323 22.295 -5.873 1.00 19.22 ? 47 VAL A HG13 1 -ATOM 990 H HG21 . VAL A 1 57 ? -2.200 19.465 -5.819 1.00 19.17 ? 47 VAL A HG21 1 -ATOM 991 H HG22 . VAL A 1 57 ? -0.857 19.836 -5.057 1.00 19.17 ? 47 VAL A HG22 1 -ATOM 992 H HG23 . VAL A 1 57 ? -2.025 19.085 -4.287 1.00 19.17 ? 47 VAL A HG23 1 -ATOM 993 N N . GLY A 1 58 ? -1.154 20.212 -1.353 1.00 17.86 ? 48 GLY A N 1 -ATOM 994 C CA . GLY A 1 58 ? -1.461 19.519 -0.109 1.00 19.29 ? 48 GLY A CA 1 -ATOM 995 C C . GLY A 1 58 ? -1.981 18.106 -0.333 1.00 17.95 ? 48 GLY A C 1 -ATOM 996 O O . GLY A 1 58 ? -1.860 17.511 -1.431 1.00 18.76 ? 48 GLY A O 1 -ATOM 997 H H . GLY A 1 58 ? -0.318 20.258 -1.551 1.00 21.43 ? 48 GLY A H 1 -ATOM 998 H HA2 . GLY A 1 58 ? -0.659 19.464 0.434 1.00 23.15 ? 48 GLY A HA2 1 -ATOM 999 H HA3 . GLY A 1 58 ? -2.137 20.017 0.376 1.00 23.15 ? 48 GLY A HA3 1 -ATOM 1000 N N . ASP A 1 59 ? -2.605 17.543 0.717 1.00 18.09 ? 49 ASP A N 1 -ATOM 1001 C CA A ASP A 1 59 ? -2.973 16.128 0.748 0.72 17.17 ? 49 ASP A CA 1 -ATOM 1002 C CA B ASP A 1 59 ? -2.954 16.130 0.692 0.28 21.98 ? 49 ASP A CA 1 -ATOM 1003 C C . ASP A 1 59 ? -4.424 15.867 0.409 1.00 18.12 ? 49 ASP A C 1 -ATOM 1004 O O . ASP A 1 59 ? -4.808 14.714 0.266 1.00 20.81 ? 49 ASP A O 1 -ATOM 1005 C CB A ASP A 1 59 ? -2.655 15.487 2.111 0.72 21.63 ? 49 ASP A CB 1 -ATOM 1006 C CB B ASP A 1 59 ? -2.460 15.398 1.927 0.28 40.47 ? 49 ASP A CB 1 -ATOM 1007 C CG A ASP A 1 59 ? -1.465 14.458 2.003 0.72 24.72 ? 49 ASP A CG 1 -ATOM 1008 C CG B ASP A 1 59 ? -3.345 15.585 3.078 0.28 32.72 ? 49 ASP A CG 1 -ATOM 1009 O OD1 A ASP A 1 59 ? -0.483 14.576 1.139 0.72 21.91 ? 49 ASP A OD1 1 -ATOM 1010 O OD1 B ASP A 1 59 ? -3.906 16.690 3.224 0.28 36.53 ? 49 ASP A OD1 1 -ATOM 1011 O OD2 A ASP A 1 59 ? -1.470 13.523 2.807 0.72 31.50 ? 49 ASP A OD2 1 -ATOM 1012 O OD2 B ASP A 1 59 ? -3.517 14.605 3.820 0.28 29.57 ? 49 ASP A OD2 1 -ATOM 1013 H H . ASP A 1 59 ? -2.825 17.973 1.429 1.00 21.71 ? 49 ASP A H 1 -ATOM 1014 H HA . ASP A 1 59 ? -2.426 15.680 0.085 1.00 26.38 ? 49 ASP A HA 1 -ATOM 1015 H HB2 A ASP A 1 59 ? -2.403 16.181 2.741 0.72 25.96 ? 49 ASP A HB2 1 -ATOM 1016 H HB2 B ASP A 1 59 ? -2.412 14.448 1.735 0.28 48.56 ? 49 ASP A HB2 1 -ATOM 1017 H HB3 A ASP A 1 59 ? -3.438 15.015 2.435 0.72 25.96 ? 49 ASP A HB3 1 -ATOM 1018 H HB3 B ASP A 1 59 ? -1.581 15.733 2.165 0.28 48.56 ? 49 ASP A HB3 1 -ATOM 1019 N N . GLU A 1 60 ? -5.258 16.914 0.246 1.00 16.54 ? 50 GLU A N 1 -ATOM 1020 C CA . GLU A 1 60 ? -6.657 16.700 -0.102 1.00 17.67 ? 50 GLU A CA 1 -ATOM 1021 C C . GLU A 1 60 ? -6.762 16.232 -1.546 1.00 17.52 ? 50 GLU A C 1 -ATOM 1022 O O . GLU A 1 60 ? -6.157 16.822 -2.452 1.00 16.70 ? 50 GLU A O 1 -ATOM 1023 C CB . GLU A 1 60 ? -7.465 18.003 0.094 1.00 18.44 ? 50 GLU A CB 1 -ATOM 1024 C CG . GLU A 1 60 ? -7.639 18.332 1.568 1.00 21.81 ? 50 GLU A CG 1 -ATOM 1025 C CD . GLU A 1 60 ? -8.324 19.639 1.930 1.00 38.42 ? 50 GLU A CD 1 -ATOM 1026 O OE1 . GLU A 1 60 ? -9.206 20.129 1.232 1.00 26.81 ? 50 GLU A OE1 1 -ATOM 1027 O OE2 . GLU A 1 60 ? -7.977 20.177 3.003 1.00 47.03 ? 50 GLU A OE2 1 -ATOM 1028 H H . GLU A 1 60 ? -5.033 17.739 0.332 1.00 19.85 ? 50 GLU A H 1 -ATOM 1029 H HA . GLU A 1 60 ? -7.035 16.020 0.477 1.00 21.20 ? 50 GLU A HA 1 -ATOM 1030 H HB2 . GLU A 1 60 ? -6.996 18.739 -0.330 1.00 22.13 ? 50 GLU A HB2 1 -ATOM 1031 H HB3 . GLU A 1 60 ? -8.344 17.898 -0.302 1.00 22.13 ? 50 GLU A HB3 1 -ATOM 1032 H HG2 . GLU A 1 60 ? -8.165 17.622 1.969 1.00 26.17 ? 50 GLU A HG2 1 -ATOM 1033 H HG3 . GLU A 1 60 ? -6.757 18.359 1.971 1.00 26.17 ? 50 GLU A HG3 1 -ATOM 1034 N N . VAL A 1 61 ? -7.552 15.188 -1.769 1.00 16.05 ? 51 VAL A N 1 -ATOM 1035 C CA . VAL A 1 61 ? -7.910 14.736 -3.122 1.00 15.57 ? 51 VAL A CA 1 -ATOM 1036 C C . VAL A 1 61 ? -9.352 15.161 -3.330 1.00 15.54 ? 51 VAL A C 1 -ATOM 1037 O O . VAL A 1 61 ? -10.256 14.697 -2.636 1.00 16.90 ? 51 VAL A O 1 -ATOM 1038 C CB . VAL A 1 61 ? -7.746 13.233 -3.285 1.00 15.31 ? 51 VAL A CB 1 -ATOM 1039 C CG1 . VAL A 1 61 ? -8.214 12.773 -4.652 1.00 15.40 ? 51 VAL A CG1 1 -ATOM 1040 C CG2 . VAL A 1 61 ? -6.288 12.856 -3.117 1.00 16.48 ? 51 VAL A CG2 1 -ATOM 1041 H H . VAL A 1 61 ? -7.903 14.712 -1.145 1.00 19.27 ? 51 VAL A H 1 -ATOM 1042 H HA . VAL A 1 61 ? -7.344 15.166 -3.782 1.00 18.68 ? 51 VAL A HA 1 -ATOM 1043 H HB . VAL A 1 61 ? -8.285 12.794 -2.608 1.00 18.37 ? 51 VAL A HB 1 -ATOM 1044 H HG11 . VAL A 1 61 ? -7.971 11.842 -4.773 1.00 18.49 ? 51 VAL A HG11 1 -ATOM 1045 H HG12 . VAL A 1 61 ? -9.178 12.873 -4.706 1.00 18.49 ? 51 VAL A HG12 1 -ATOM 1046 H HG13 . VAL A 1 61 ? -7.787 13.318 -5.332 1.00 18.49 ? 51 VAL A HG13 1 -ATOM 1047 H HG21 . VAL A 1 61 ? -6.193 11.899 -3.239 1.00 19.78 ? 51 VAL A HG21 1 -ATOM 1048 H HG22 . VAL A 1 61 ? -5.761 13.328 -3.781 1.00 19.78 ? 51 VAL A HG22 1 -ATOM 1049 H HG23 . VAL A 1 61 ? -5.997 13.106 -2.226 1.00 19.78 ? 51 VAL A HG23 1 -ATOM 1050 N N . HIS A 1 62 ? -9.570 16.114 -4.230 1.00 15.21 ? 52 HIS A N 1 -ATOM 1051 C CA . HIS A 1 62 ? -10.896 16.673 -4.453 1.00 15.01 ? 52 HIS A CA 1 -ATOM 1052 C C . HIS A 1 62 ? -11.749 15.764 -5.302 1.00 14.07 ? 52 HIS A C 1 -ATOM 1053 O O . HIS A 1 62 ? -11.274 15.264 -6.337 1.00 15.69 ? 52 HIS A O 1 -ATOM 1054 C CB . HIS A 1 62 ? -10.797 18.072 -5.051 1.00 14.57 ? 52 HIS A CB 1 -ATOM 1055 C CG . HIS A 1 62 ? -10.071 18.999 -4.143 1.00 15.99 ? 52 HIS A CG 1 -ATOM 1056 N ND1 . HIS A 1 62 ? -10.636 19.419 -2.972 1.00 17.59 ? 52 HIS A ND1 1 -ATOM 1057 C CD2 . HIS A 1 62 ? -8.804 19.463 -4.162 1.00 18.68 ? 52 HIS A CD2 1 -ATOM 1058 C CE1 . HIS A 1 62 ? -9.750 20.153 -2.314 1.00 18.36 ? 52 HIS A CE1 1 -ATOM 1059 N NE2 . HIS A 1 62 ? -8.634 20.193 -3.007 1.00 18.23 ? 52 HIS A NE2 1 -ATOM 1060 H H . HIS A 1 62 ? -8.960 16.457 -4.729 1.00 18.25 ? 52 HIS A H 1 -ATOM 1061 H HA . HIS A 1 62 ? -11.347 16.749 -3.598 1.00 18.02 ? 52 HIS A HA 1 -ATOM 1062 H HB2 . HIS A 1 62 ? -10.316 18.029 -5.892 1.00 17.49 ? 52 HIS A HB2 1 -ATOM 1063 H HB3 . HIS A 1 62 ? -11.689 18.423 -5.196 1.00 17.49 ? 52 HIS A HB3 1 -ATOM 1064 H HD1 . HIS A 1 62 ? -11.434 19.238 -2.707 1.00 21.10 ? 52 HIS A HD1 1 -ATOM 1065 H HD2 . HIS A 1 62 ? -8.169 19.319 -4.826 1.00 22.41 ? 52 HIS A HD2 1 -ATOM 1066 H HE1 . HIS A 1 62 ? -9.895 20.571 -1.496 1.00 22.03 ? 52 HIS A HE1 1 -ATOM 1067 N N . ILE A 1 63 ? -12.971 15.558 -4.915 1.00 14.57 ? 53 ILE A N 1 -ATOM 1068 C CA . ILE A 1 63 ? -13.892 14.681 -5.599 1.00 15.62 ? 53 ILE A CA 1 -ATOM 1069 C C . ILE A 1 63 ? -14.814 15.516 -6.456 1.00 14.65 ? 53 ILE A C 1 -ATOM 1070 O O . ILE A 1 63 ? -15.549 16.372 -5.956 1.00 15.42 ? 53 ILE A O 1 -ATOM 1071 C CB . ILE A 1 63 ? -14.677 13.834 -4.590 1.00 16.65 ? 53 ILE A CB 1 -ATOM 1072 C CG1 . ILE A 1 63 ? -13.721 12.902 -3.859 1.00 18.43 ? 53 ILE A CG1 1 -ATOM 1073 C CG2 . ILE A 1 63 ? -15.783 13.060 -5.306 1.00 18.74 ? 53 ILE A CG2 1 -ATOM 1074 C CD1 . ILE A 1 63 ? -14.348 12.183 -2.660 1.00 23.70 ? 53 ILE A CD1 1 -ATOM 1075 H H . ILE A 1 63 ? -13.317 15.932 -4.223 1.00 17.49 ? 53 ILE A H 1 -ATOM 1076 H HA . ILE A 1 63 ? -13.401 14.090 -6.192 1.00 18.75 ? 53 ILE A HA 1 -ATOM 1077 H HB . ILE A 1 63 ? -15.097 14.412 -3.934 1.00 19.98 ? 53 ILE A HB 1 -ATOM 1078 H HG12 . ILE A 1 63 ? -13.411 12.224 -4.480 1.00 22.12 ? 53 ILE A HG12 1 -ATOM 1079 H HG13 . ILE A 1 63 ? -12.969 13.420 -3.532 1.00 22.12 ? 53 ILE A HG13 1 -ATOM 1080 H HG21 . ILE A 1 63 ? -16.112 12.362 -4.718 1.00 22.49 ? 53 ILE A HG21 1 -ATOM 1081 H HG22 . ILE A 1 63 ? -16.503 13.671 -5.529 1.00 22.49 ? 53 ILE A HG22 1 -ATOM 1082 H HG23 . ILE A 1 63 ? -15.421 12.667 -6.116 1.00 22.49 ? 53 ILE A HG23 1 -ATOM 1083 H HD11 . ILE A 1 63 ? -13.647 11.741 -2.156 1.00 28.45 ? 53 ILE A HD11 1 -ATOM 1084 H HD12 . ILE A 1 63 ? -14.797 12.835 -2.101 1.00 28.45 ? 53 ILE A HD12 1 -ATOM 1085 H HD13 . ILE A 1 63 ? -14.987 11.528 -2.983 1.00 28.45 ? 53 ILE A HD13 1 -ATOM 1086 N N . ARG A 1 64 ? -14.864 15.233 -7.759 1.00 13.74 ? 54 ARG A N 1 -ATOM 1087 C CA . ARG A 1 64 ? -15.715 15.929 -8.706 1.00 14.06 ? 54 ARG A CA 1 -ATOM 1088 C C . ARG A 1 64 ? -16.631 14.865 -9.303 1.00 15.32 ? 54 ARG A C 1 -ATOM 1089 O O . ARG A 1 64 ? -16.172 14.059 -10.111 1.00 16.05 ? 54 ARG A O 1 -ATOM 1090 C CB . ARG A 1 64 ? -14.910 16.621 -9.811 1.00 14.22 ? 54 ARG A CB 1 -ATOM 1091 C CG . ARG A 1 64 ? -13.536 17.177 -9.427 1.00 14.19 ? 54 ARG A CG 1 -ATOM 1092 C CD . ARG A 1 64 ? -13.563 18.305 -8.535 1.00 15.96 ? 54 ARG A CD 1 -ATOM 1093 N NE . ARG A 1 64 ? -12.312 19.099 -8.562 1.00 14.64 ? 54 ARG A NE 1 -ATOM 1094 C CZ . ARG A 1 64 ? -12.036 20.079 -7.743 1.00 15.52 ? 54 ARG A CZ 1 -ATOM 1095 N NH1 . ARG A 1 64 ? -12.756 20.306 -6.682 1.00 16.26 ? 54 ARG A NH1 1 -ATOM 1096 N NH2 . ARG A 1 64 ? -10.973 20.848 -7.994 1.00 17.69 ? 54 ARG A NH2 1 -ATOM 1097 H H . ARG A 1 64 ? -14.392 14.615 -8.127 1.00 16.49 ? 54 ARG A H 1 -ATOM 1098 H HA . ARG A 1 64 ? -16.228 16.615 -8.250 1.00 16.87 ? 54 ARG A HA 1 -ATOM 1099 H HB2 . ARG A 1 64 ? -14.765 15.978 -10.522 1.00 17.06 ? 54 ARG A HB2 1 -ATOM 1100 H HB3 . ARG A 1 64 ? -15.434 17.368 -10.140 1.00 17.06 ? 54 ARG A HB3 1 -ATOM 1101 H HG2 . ARG A 1 64 ? -13.030 16.474 -8.990 1.00 17.03 ? 54 ARG A HG2 1 -ATOM 1102 H HG3 . ARG A 1 64 ? -13.081 17.458 -10.236 1.00 17.03 ? 54 ARG A HG3 1 -ATOM 1103 H HD2 . ARG A 1 64 ? -14.293 18.890 -8.791 1.00 19.15 ? 54 ARG A HD2 1 -ATOM 1104 H HD3 . ARG A 1 64 ? -13.694 17.986 -7.629 1.00 19.15 ? 54 ARG A HD3 1 -ATOM 1105 H HE . ARG A 1 64 ? -11.726 18.900 -9.159 1.00 17.57 ? 54 ARG A HE 1 -ATOM 1106 H HH11 . ARG A 1 64 ? -13.432 19.804 -6.505 1.00 19.52 ? 54 ARG A HH11 1 -ATOM 1107 H HH12 . ARG A 1 64 ? -12.556 20.957 -6.157 1.00 19.52 ? 54 ARG A HH12 1 -ATOM 1108 H HH21 . ARG A 1 64 ? -10.483 20.693 -8.684 1.00 21.23 ? 54 ARG A HH21 1 -ATOM 1109 H HH22 . ARG A 1 64 ? -10.777 21.497 -7.465 1.00 21.23 ? 54 ARG A HH22 1 -ATOM 1110 N N . ALA A 1 65 ? -17.913 14.844 -8.946 1.00 13.32 ? 55 ALA A N 1 -ATOM 1111 C CA . ALA A 1 65 ? -18.782 13.797 -9.436 1.00 12.77 ? 55 ALA A CA 1 -ATOM 1112 C C . ALA A 1 65 ? -19.308 14.164 -10.816 1.00 13.03 ? 55 ALA A C 1 -ATOM 1113 O O . ALA A 1 65 ? -19.921 15.212 -10.995 1.00 14.51 ? 55 ALA A O 1 -ATOM 1114 C CB . ALA A 1 65 ? -19.985 13.614 -8.513 1.00 14.49 ? 55 ALA A CB 1 -ATOM 1115 H H . ALA A 1 65 ? -18.290 15.418 -8.429 1.00 15.98 ? 55 ALA A H 1 -ATOM 1116 H HA . ALA A 1 65 ? -18.275 12.972 -9.477 1.00 15.32 ? 55 ALA A HA 1 -ATOM 1117 H HB1 . ALA A 1 65 ? -20.553 12.912 -8.868 1.00 17.39 ? 55 ALA A HB1 1 -ATOM 1118 H HB2 . ALA A 1 65 ? -19.671 13.369 -7.629 1.00 17.39 ? 55 ALA A HB2 1 -ATOM 1119 H HB3 . ALA A 1 65 ? -20.479 14.448 -8.469 1.00 17.39 ? 55 ALA A HB3 1 -ATOM 1120 N N . ILE A 1 66 ? -19.101 13.267 -11.784 1.00 12.92 ? 56 ILE A N 1 -ATOM 1121 C CA . ILE A 1 66 ? -19.465 13.543 -13.181 1.00 13.41 ? 56 ILE A CA 1 -ATOM 1122 C C . ILE A 1 66 ? -20.821 12.951 -13.497 1.00 13.42 ? 56 ILE A C 1 -ATOM 1123 O O . ILE A 1 66 ? -21.050 11.755 -13.264 1.00 15.24 ? 56 ILE A O 1 -ATOM 1124 C CB . ILE A 1 66 ? -18.462 12.963 -14.178 1.00 12.74 ? 56 ILE A CB 1 -ATOM 1125 C CG1 . ILE A 1 66 ? -17.015 13.342 -13.906 1.00 15.18 ? 56 ILE A CG1 1 -ATOM 1126 C CG2 . ILE A 1 66 ? -18.776 13.479 -15.609 1.00 15.31 ? 56 ILE A CG2 1 -ATOM 1127 C CD1 A ILE A 1 66 ? -16.062 12.470 -14.761 0.85 15.32 ? 56 ILE A CD1 1 -ATOM 1128 H H . ILE A 1 66 ? -18.751 12.491 -11.657 1.00 15.50 ? 56 ILE A H 1 -ATOM 1129 H HA . ILE A 1 66 ? -19.497 14.509 -13.261 1.00 16.09 ? 56 ILE A HA 1 -ATOM 1130 H HB . ILE A 1 66 ? -18.557 12.002 -14.085 1.00 15.29 ? 56 ILE A HB 1 -ATOM 1131 H HG12 A ILE A 1 66 ? -16.874 14.273 -14.136 0.85 18.21 ? 56 ILE A HG12 1 -ATOM 1132 H HG13 A ILE A 1 66 ? -16.812 13.197 -12.968 0.85 18.21 ? 56 ILE A HG13 1 -ATOM 1133 H HG21 . ILE A 1 66 ? -18.137 13.096 -16.230 1.00 18.37 ? 56 ILE A HG21 1 -ATOM 1134 H HG22 . ILE A 1 66 ? -19.676 13.209 -15.852 1.00 18.37 ? 56 ILE A HG22 1 -ATOM 1135 H HG23 . ILE A 1 66 ? -18.707 14.447 -15.618 1.00 18.37 ? 56 ILE A HG23 1 -ATOM 1136 H HD11 A ILE A 1 66 ? -15.307 12.200 -14.215 0.85 18.39 ? 56 ILE A HD11 1 -ATOM 1137 H HD12 A ILE A 1 66 ? -16.544 11.686 -15.070 0.85 18.39 ? 56 ILE A HD12 1 -ATOM 1138 H HD13 A ILE A 1 66 ? -15.754 12.989 -15.519 0.85 18.39 ? 56 ILE A HD13 1 -ATOM 1139 N N . ILE A 1 67 ? -21.702 13.758 -14.059 1.00 12.78 ? 57 ILE A N 1 -ATOM 1140 C CA . ILE A 1 67 ? -22.939 13.263 -14.644 1.00 12.95 ? 57 ILE A CA 1 -ATOM 1141 C C . ILE A 1 67 ? -22.849 13.529 -16.146 1.00 12.34 ? 57 ILE A C 1 -ATOM 1142 O O . ILE A 1 67 ? -22.806 14.680 -16.586 1.00 12.70 ? 57 ILE A O 1 -ATOM 1143 C CB . ILE A 1 67 ? -24.178 13.923 -14.024 1.00 13.42 ? 57 ILE A CB 1 -ATOM 1144 C CG1 . ILE A 1 67 ? -24.214 13.719 -12.525 1.00 14.60 ? 57 ILE A CG1 1 -ATOM 1145 C CG2 . ILE A 1 67 ? -25.457 13.381 -14.681 1.00 14.97 ? 57 ILE A CG2 1 -ATOM 1146 C CD1 . ILE A 1 67 ? -25.276 14.530 -11.811 1.00 16.10 ? 57 ILE A CD1 1 -ATOM 1147 H H . ILE A 1 67 ? -21.606 14.611 -14.116 1.00 15.33 ? 57 ILE A H 1 -ATOM 1148 H HA . ILE A 1 67 ? -23.012 12.306 -14.499 1.00 15.54 ? 57 ILE A HA 1 -ATOM 1149 H HB . ILE A 1 67 ? -24.124 14.877 -14.190 1.00 16.11 ? 57 ILE A HB 1 -ATOM 1150 H HG12 . ILE A 1 67 ? -24.390 12.782 -12.344 1.00 17.52 ? 57 ILE A HG12 1 -ATOM 1151 H HG13 . ILE A 1 67 ? -23.354 13.972 -12.156 1.00 17.52 ? 57 ILE A HG13 1 -ATOM 1152 H HG21 . ILE A 1 67 ? -26.228 13.792 -14.259 1.00 17.97 ? 57 ILE A HG21 1 -ATOM 1153 H HG22 . ILE A 1 67 ? -25.443 13.599 -15.626 1.00 17.97 ? 57 ILE A HG22 1 -ATOM 1154 H HG23 . ILE A 1 67 ? -25.489 12.419 -14.564 1.00 17.97 ? 57 ILE A HG23 1 -ATOM 1155 H HD11 . ILE A 1 67 ? -25.146 14.446 -10.853 1.00 19.32 ? 57 ILE A HD11 1 -ATOM 1156 H HD12 . ILE A 1 67 ? -25.195 15.459 -12.076 1.00 19.32 ? 57 ILE A HD12 1 -ATOM 1157 H HD13 . ILE A 1 67 ? -26.151 14.191 -12.057 1.00 19.32 ? 57 ILE A HD13 1 -ATOM 1158 N N . GLU A 1 68 ? -22.798 12.428 -16.918 1.00 12.47 ? 58 GLU A N 1 -ATOM 1159 C CA . GLU A 1 68 ? -22.657 12.474 -18.382 1.00 12.62 ? 58 GLU A CA 1 -ATOM 1160 C C . GLU A 1 68 ? -24.074 12.393 -18.906 1.00 13.28 ? 58 GLU A C 1 -ATOM 1161 O O . GLU A 1 68 ? -24.660 11.313 -19.023 1.00 14.30 ? 58 GLU A O 1 -ATOM 1162 C CB . GLU A 1 68 ? -21.792 11.303 -18.837 1.00 13.32 ? 58 GLU A CB 1 -ATOM 1163 C CG . GLU A 1 68 ? -20.412 11.298 -18.230 1.00 14.90 ? 58 GLU A CG 1 -ATOM 1164 C CD . GLU A 1 68 ? -19.738 9.951 -18.162 1.00 17.79 ? 58 GLU A CD 1 -ATOM 1165 O OE1 . GLU A 1 68 ? -20.491 8.966 -17.981 1.00 19.87 ? 58 GLU A OE1 1 -ATOM 1166 O OE2 . GLU A 1 68 ? -18.487 9.944 -18.049 1.00 18.94 ? 58 GLU A OE2 1 -ATOM 1167 H H . GLU A 1 68 ? -22.844 11.627 -16.608 1.00 14.96 ? 58 GLU A H 1 -ATOM 1168 H HA . GLU A 1 68 ? -22.239 13.291 -18.696 1.00 15.15 ? 58 GLU A HA 1 -ATOM 1169 H HB2 . GLU A 1 68 ? -22.230 10.475 -18.586 1.00 15.98 ? 58 GLU A HB2 1 -ATOM 1170 H HB3 . GLU A 1 68 ? -21.692 11.346 -19.801 1.00 15.98 ? 58 GLU A HB3 1 -ATOM 1171 H HG2 . GLU A 1 68 ? -19.843 11.879 -18.760 1.00 17.88 ? 58 GLU A HG2 1 -ATOM 1172 H HG3 . GLU A 1 68 ? -20.476 11.635 -17.323 1.00 17.88 ? 58 GLU A HG3 1 -ATOM 1173 N N . PHE A 1 69 ? -24.691 13.545 -19.114 1.00 13.59 ? 59 PHE A N 1 -ATOM 1174 C CA . PHE A 1 69 ? -26.146 13.591 -19.161 1.00 13.32 ? 59 PHE A CA 1 -ATOM 1175 C C . PHE A 1 69 ? -26.756 13.395 -20.548 1.00 14.80 ? 59 PHE A C 1 -ATOM 1176 O O . PHE A 1 69 ? -27.969 13.260 -20.668 1.00 14.31 ? 59 PHE A O 1 -ATOM 1177 C CB . PHE A 1 69 ? -26.647 14.897 -18.494 1.00 13.66 ? 59 PHE A CB 1 -ATOM 1178 C CG . PHE A 1 69 ? -26.210 16.139 -19.191 1.00 13.82 ? 59 PHE A CG 1 -ATOM 1179 C CD1 . PHE A 1 69 ? -26.938 16.651 -20.262 1.00 14.13 ? 59 PHE A CD1 1 -ATOM 1180 C CD2 . PHE A 1 69 ? -25.066 16.807 -18.809 1.00 14.64 ? 59 PHE A CD2 1 -ATOM 1181 C CE1 . PHE A 1 69 ? -26.536 17.782 -20.910 1.00 14.31 ? 59 PHE A CE1 1 -ATOM 1182 C CE2 . PHE A 1 69 ? -24.620 17.961 -19.457 1.00 13.27 ? 59 PHE A CE2 1 -ATOM 1183 C CZ . PHE A 1 69 ? -25.381 18.430 -20.536 1.00 14.08 ? 59 PHE A CZ 1 -ATOM 1184 H H . PHE A 1 69 ? -24.298 14.301 -19.230 1.00 16.31 ? 59 PHE A H 1 -ATOM 1185 H HA . PHE A 1 69 ? -26.492 12.850 -18.639 1.00 15.99 ? 59 PHE A HA 1 -ATOM 1186 H HB2 . PHE A 1 69 ? -27.617 14.890 -18.486 1.00 16.39 ? 59 PHE A HB2 1 -ATOM 1187 H HB3 . PHE A 1 69 ? -26.308 14.933 -17.586 1.00 16.39 ? 59 PHE A HB3 1 -ATOM 1188 H HD1 . PHE A 1 69 ? -27.710 16.214 -20.540 1.00 16.96 ? 59 PHE A HD1 1 -ATOM 1189 H HD2 . PHE A 1 69 ? -24.572 16.477 -18.093 1.00 17.57 ? 59 PHE A HD2 1 -ATOM 1190 H HE1 . PHE A 1 69 ? -27.047 18.118 -21.610 1.00 17.18 ? 59 PHE A HE1 1 -ATOM 1191 H HE2 . PHE A 1 69 ? -23.849 18.402 -19.183 1.00 15.93 ? 59 PHE A HE2 1 -ATOM 1192 H HZ . PHE A 1 69 ? -25.104 19.184 -21.004 1.00 16.90 ? 59 PHE A HZ 1 -ATOM 1193 N N . SER A 1 70 ? -25.925 13.436 -21.582 1.00 13.09 ? 60 SER A N 1 -ATOM 1194 C CA . SER A 1 70 ? -26.361 13.144 -22.946 1.00 13.30 ? 60 SER A CA 1 -ATOM 1195 C C . SER A 1 70 ? -25.158 12.637 -23.702 1.00 12.50 ? 60 SER A C 1 -ATOM 1196 O O . SER A 1 70 ? -24.081 13.193 -23.580 1.00 13.47 ? 60 SER A O 1 -ATOM 1197 C CB . SER A 1 70 ? -26.885 14.432 -23.590 1.00 14.06 ? 60 SER A CB 1 -ATOM 1198 O OG . SER A 1 70 ? -27.043 14.124 -25.006 1.00 14.73 ? 60 SER A OG 1 -ATOM 1199 H H . SER A 1 70 ? -25.090 13.632 -21.522 1.00 15.70 ? 60 SER A H 1 -ATOM 1200 H HA . SER A 1 70 ? -27.055 12.467 -22.972 1.00 15.96 ? 60 SER A HA 1 -ATOM 1201 H HB2 . SER A 1 70 ? -27.739 14.679 -23.202 1.00 16.87 ? 60 SER A HB2 1 -ATOM 1202 H HB3 . SER A 1 70 ? -26.246 15.152 -23.472 1.00 16.87 ? 60 SER A HB3 1 -ATOM 1203 H HG . SER A 1 70 ? -27.364 14.787 -25.409 1.00 17.68 ? 60 SER A HG 1 -ATOM 1204 N N . ASN A 1 71 ? -25.354 11.615 -24.537 1.00 13.69 ? 61 ASN A N 1 -ATOM 1205 C CA . ASN A 1 71 ? -24.301 11.149 -25.432 1.00 13.71 ? 61 ASN A CA 1 -ATOM 1206 C C . ASN A 1 71 ? -24.580 11.547 -26.874 1.00 14.61 ? 61 ASN A C 1 -ATOM 1207 O O . ASN A 1 71 ? -23.942 10.982 -27.778 1.00 15.31 ? 61 ASN A O 1 -ATOM 1208 C CB . ASN A 1 71 ? -24.052 9.647 -25.319 1.00 14.01 ? 61 ASN A CB 1 -ATOM 1209 C CG . ASN A 1 71 ? -25.134 8.824 -25.912 1.00 13.41 ? 61 ASN A CG 1 -ATOM 1210 O OD1 . ASN A 1 71 ? -26.190 9.329 -26.239 1.00 14.99 ? 61 ASN A OD1 1 -ATOM 1211 N ND2 . ASN A 1 71 ? -24.938 7.504 -25.970 1.00 14.08 ? 61 ASN A ND2 1 -ATOM 1212 H H . ASN A 1 71 ? -26.091 11.176 -24.601 1.00 16.43 ? 61 ASN A H 1 -ATOM 1213 H HA . ASN A 1 71 ? -23.473 11.569 -25.150 1.00 16.45 ? 61 ASN A HA 1 -ATOM 1214 H HB2 . ASN A 1 71 ? -23.227 9.430 -25.781 1.00 16.81 ? 61 ASN A HB2 1 -ATOM 1215 H HB3 . ASN A 1 71 ? -23.979 9.410 -24.381 1.00 16.81 ? 61 ASN A HB3 1 -ATOM 1216 H HD21 . ASN A 1 71 ? -25.542 6.993 -26.307 1.00 16.89 ? 61 ASN A HD21 1 -ATOM 1217 H HD22 . ASN A 1 71 ? -24.206 7.164 -25.670 1.00 16.89 ? 61 ASN A HD22 1 -ATOM 1218 N N . VAL A 1 72 ? -25.455 12.516 -27.090 1.00 14.06 ? 62 VAL A N 1 -ATOM 1219 C CA . VAL A 1 72 ? -25.731 13.037 -28.434 1.00 13.63 ? 62 VAL A CA 1 -ATOM 1220 C C . VAL A 1 72 ? -24.651 14.054 -28.739 1.00 14.16 ? 62 VAL A C 1 -ATOM 1221 O O . VAL A 1 72 ? -24.392 14.973 -27.956 1.00 14.75 ? 62 VAL A O 1 -ATOM 1222 C CB . VAL A 1 72 ? -27.089 13.705 -28.427 1.00 15.04 ? 62 VAL A CB 1 -ATOM 1223 C CG1 . VAL A 1 72 ? -27.377 14.400 -29.763 1.00 15.76 ? 62 VAL A CG1 1 -ATOM 1224 C CG2 . VAL A 1 72 ? -28.182 12.690 -28.137 1.00 17.41 ? 62 VAL A CG2 1 -ATOM 1225 H H . VAL A 1 72 ? -25.912 12.900 -26.471 1.00 16.87 ? 62 VAL A H 1 -ATOM 1226 H HA . VAL A 1 72 ? -25.719 12.331 -29.099 1.00 16.35 ? 62 VAL A HA 1 -ATOM 1227 H HB . VAL A 1 72 ? -27.085 14.378 -27.729 1.00 18.04 ? 62 VAL A HB 1 -ATOM 1228 H HG11 . VAL A 1 72 ? -28.306 14.677 -29.780 1.00 18.92 ? 62 VAL A HG11 1 -ATOM 1229 H HG12 . VAL A 1 72 ? -26.799 15.174 -29.847 1.00 18.92 ? 62 VAL A HG12 1 -ATOM 1230 H HG13 . VAL A 1 72 ? -27.203 13.777 -30.486 1.00 18.92 ? 62 VAL A HG13 1 -ATOM 1231 H HG21 . VAL A 1 72 ? -29.046 13.108 -28.280 1.00 20.89 ? 62 VAL A HG21 1 -ATOM 1232 H HG22 . VAL A 1 72 ? -28.078 11.934 -28.735 1.00 20.89 ? 62 VAL A HG22 1 -ATOM 1233 H HG23 . VAL A 1 72 ? -28.104 12.397 -27.216 1.00 20.89 ? 62 VAL A HG23 1 -ATOM 1234 N N . CYS A 1 73 ? -24.050 13.958 -29.939 1.00 14.41 ? 63 CYS A N 1 -ATOM 1235 C CA . CYS A 1 73 ? -23.058 14.927 -30.335 1.00 15.16 ? 63 CYS A CA 1 -ATOM 1236 C C . CYS A 1 73 ? -23.191 15.293 -31.811 1.00 14.66 ? 63 CYS A C 1 -ATOM 1237 O O . CYS A 1 73 ? -23.315 14.421 -32.684 1.00 15.26 ? 63 CYS A O 1 -ATOM 1238 C CB . CYS A 1 73 ? -21.603 14.453 -30.095 1.00 15.02 ? 63 CYS A CB 1 -ATOM 1239 S SG . CYS A 1 73 ? -20.438 15.815 -30.213 1.00 14.48 ? 63 CYS A SG 1 -ATOM 1240 H H . CYS A 1 73 ? -24.209 13.344 -30.519 1.00 17.30 ? 63 CYS A H 1 -ATOM 1241 H HA . CYS A 1 73 ? -23.228 15.717 -29.799 1.00 18.20 ? 63 CYS A HA 1 -ATOM 1242 H HB2 . CYS A 1 73 ? -21.535 14.067 -29.207 1.00 18.03 ? 63 CYS A HB2 1 -ATOM 1243 H HB3 . CYS A 1 73 ? -21.368 13.790 -30.763 1.00 18.03 ? 63 CYS A HB3 1 -ATOM 1244 N N . ARG A 1 74 ? -23.110 16.590 -32.083 1.00 14.80 ? 64 ARG A N 1 -ATOM 1245 C CA . ARG A 1 74 ? -23.112 17.116 -33.441 1.00 14.81 ? 64 ARG A CA 1 -ATOM 1246 C C . ARG A 1 74 ? -21.765 17.000 -34.127 1.00 14.23 ? 64 ARG A C 1 -ATOM 1247 O O . ARG A 1 74 ? -21.734 17.159 -35.365 1.00 15.88 ? 64 ARG A O 1 -ATOM 1248 C CB . ARG A 1 74 ? -23.569 18.578 -33.425 1.00 15.63 ? 64 ARG A CB 1 -ATOM 1249 C CG . ARG A 1 74 ? -22.613 19.534 -32.785 1.00 15.45 ? 64 ARG A CG 1 -ATOM 1250 C CD . ARG A 1 74 ? -23.148 20.904 -32.679 1.00 16.92 ? 64 ARG A CD 1 -ATOM 1251 N NE . ARG A 1 74 ? -22.250 21.772 -31.947 1.00 16.51 ? 64 ARG A NE 1 -ATOM 1252 C CZ . ARG A 1 74 ? -22.364 23.092 -31.867 1.00 19.43 ? 64 ARG A CZ 1 -ATOM 1253 N NH1 . ARG A 1 74 ? -23.370 23.744 -32.489 1.00 21.87 ? 64 ARG A NH1 1 -ATOM 1254 N NH2 . ARG A 1 74 ? -21.430 23.778 -31.212 1.00 19.85 ? 64 ARG A NH2 1 -ATOM 1255 H H . ARG A 1 74 ? -23.053 17.203 -31.482 1.00 17.76 ? 64 ARG A H 1 -ATOM 1256 H HA . ARG A 1 74 ? -23.746 16.611 -33.973 1.00 17.78 ? 64 ARG A HA 1 -ATOM 1257 H HB2 . ARG A 1 74 ? -23.699 18.868 -34.342 1.00 18.75 ? 64 ARG A HB2 1 -ATOM 1258 H HB3 . ARG A 1 74 ? -24.405 18.632 -32.937 1.00 18.75 ? 64 ARG A HB3 1 -ATOM 1259 H HG2 . ARG A 1 74 ? -22.410 19.224 -31.888 1.00 18.54 ? 64 ARG A HG2 1 -ATOM 1260 H HG3 . ARG A 1 74 ? -21.801 19.571 -33.314 1.00 18.54 ? 64 ARG A HG3 1 -ATOM 1261 H HD2 . ARG A 1 74 ? -23.268 21.271 -33.569 1.00 20.30 ? 64 ARG A HD2 1 -ATOM 1262 H HD3 . ARG A 1 74 ? -23.998 20.881 -32.213 1.00 20.30 ? 64 ARG A HD3 1 -ATOM 1263 H HE . ARG A 1 74 ? -21.592 21.405 -31.532 1.00 19.81 ? 64 ARG A HE 1 -ATOM 1264 H HH11 . ARG A 1 74 ? -23.950 23.304 -32.946 1.00 26.24 ? 64 ARG A HH11 1 -ATOM 1265 H HH12 . ARG A 1 74 ? -23.430 24.600 -32.427 1.00 26.24 ? 64 ARG A HH12 1 -ATOM 1266 H HH21 . ARG A 1 74 ? -20.769 23.365 -30.849 1.00 23.83 ? 64 ARG A HH21 1 -ATOM 1267 H HH22 . ARG A 1 74 ? -21.489 24.633 -31.150 1.00 23.83 ? 64 ARG A HH22 1 -ATOM 1268 N N . LYS A 1 75 ? -20.685 16.745 -33.422 1.00 14.49 ? 65 LYS A N 1 -ATOM 1269 C CA . LYS A 1 75 ? -19.337 16.659 -33.993 1.00 15.88 ? 65 LYS A CA 1 -ATOM 1270 C C . LYS A 1 75 ? -18.981 15.206 -34.331 1.00 14.27 ? 65 LYS A C 1 -ATOM 1271 O O . LYS A 1 75 ? -19.759 14.266 -34.097 1.00 15.73 ? 65 LYS A O 1 -ATOM 1272 C CB . LYS A 1 75 ? -18.311 17.310 -33.064 1.00 15.35 ? 65 LYS A CB 1 -ATOM 1273 C CG . LYS A 1 75 ? -18.335 18.848 -33.196 1.00 16.35 ? 65 LYS A CG 1 -ATOM 1274 C CD . LYS A 1 75 ? -17.259 19.462 -32.282 1.00 16.49 ? 65 LYS A CD 1 -ATOM 1275 C CE . LYS A 1 75 ? -16.984 20.949 -32.582 1.00 17.47 ? 65 LYS A CE 1 -ATOM 1276 N NZ . LYS A 1 75 ? -18.213 21.791 -32.602 1.00 17.59 ? 65 LYS A NZ 1 -ATOM 1277 H H . LYS A 1 75 ? -20.695 16.612 -32.573 1.00 17.39 ? 65 LYS A H 1 -ATOM 1278 H HA . LYS A 1 75 ? -19.307 17.153 -34.827 1.00 19.06 ? 65 LYS A HA 1 -ATOM 1279 H HB2 . LYS A 1 75 ? -18.516 17.077 -32.145 1.00 18.42 ? 65 LYS A HB2 1 -ATOM 1280 H HB3 . LYS A 1 75 ? -17.423 16.996 -33.295 1.00 18.42 ? 65 LYS A HB3 1 -ATOM 1281 H HG2 . LYS A 1 75 ? -18.149 19.102 -34.113 1.00 19.62 ? 65 LYS A HG2 1 -ATOM 1282 H HG3 . LYS A 1 75 ? -19.204 19.187 -32.928 1.00 19.62 ? 65 LYS A HG3 1 -ATOM 1283 H HD2 . LYS A 1 75 ? -17.552 19.394 -31.360 1.00 19.78 ? 65 LYS A HD2 1 -ATOM 1284 H HD3 . LYS A 1 75 ? -16.428 18.976 -32.403 1.00 19.78 ? 65 LYS A HD3 1 -ATOM 1285 H HE2 . LYS A 1 75 ? -16.394 21.302 -31.898 1.00 20.97 ? 65 LYS A HE2 1 -ATOM 1286 H HE3 . LYS A 1 75 ? -16.563 21.020 -33.453 1.00 20.97 ? 65 LYS A HE3 1 -ATOM 1287 H HZ1 . LYS A 1 75 ? -18.001 22.635 -32.788 1.00 21.11 ? 65 LYS A HZ1 1 -ATOM 1288 H HZ2 . LYS A 1 75 ? -18.778 21.492 -33.221 1.00 21.11 ? 65 LYS A HZ2 1 -ATOM 1289 H HZ3 . LYS A 1 75 ? -18.614 21.763 -31.807 1.00 21.11 ? 65 LYS A HZ3 1 -ATOM 1290 N N . ASN A 1 76 ? -17.843 15.057 -34.982 1.00 15.29 ? 66 ASN A N 1 -ATOM 1291 C CA . ASN A 1 76 ? -17.449 13.775 -35.579 1.00 15.71 ? 66 ASN A CA 1 -ATOM 1292 C C . ASN A 1 76 ? -15.965 13.479 -35.321 1.00 14.93 ? 66 ASN A C 1 -ATOM 1293 O O . ASN A 1 76 ? -15.285 12.912 -36.193 1.00 15.97 ? 66 ASN A O 1 -ATOM 1294 C CB . ASN A 1 76 ? -17.732 13.816 -37.091 1.00 15.52 ? 66 ASN A CB 1 -ATOM 1295 C CG . ASN A 1 76 ? -18.064 12.449 -37.697 1.00 16.48 ? 66 ASN A CG 1 -ATOM 1296 O OD1 . ASN A 1 76 ? -18.525 11.543 -37.025 1.00 16.62 ? 66 ASN A OD1 1 -ATOM 1297 N ND2 . ASN A 1 76 ? -17.797 12.305 -38.977 1.00 18.35 ? 66 ASN A ND2 1 -ATOM 1298 H H . ASN A 1 76 ? -17.269 15.687 -35.098 1.00 18.34 ? 66 ASN A H 1 -ATOM 1299 H HA . ASN A 1 76 ? -17.955 13.058 -35.166 1.00 18.85 ? 66 ASN A HA 1 -ATOM 1300 H HB2 . ASN A 1 76 ? -18.488 14.402 -37.251 1.00 18.62 ? 66 ASN A HB2 1 -ATOM 1301 H HB3 . ASN A 1 76 ? -16.946 14.158 -37.546 1.00 18.62 ? 66 ASN A HB3 1 -ATOM 1302 H HD21 . ASN A 1 76 ? -17.963 11.558 -39.370 1.00 22.02 ? 66 ASN A HD21 1 -ATOM 1303 H HD22 . ASN A 1 76 ? -17.456 12.958 -39.421 1.00 22.02 ? 66 ASN A HD22 1 -ATOM 1304 N N . CYS A 1 77 ? -15.457 13.838 -34.140 1.00 14.33 ? 67 CYS A N 1 -ATOM 1305 C CA . CYS A 1 77 ? -14.054 13.619 -33.832 1.00 13.89 ? 67 CYS A CA 1 -ATOM 1306 C C . CYS A 1 77 ? -13.665 12.175 -34.108 1.00 14.31 ? 67 CYS A C 1 -ATOM 1307 O O . CYS A 1 77 ? -14.381 11.248 -33.721 1.00 15.41 ? 67 CYS A O 1 -ATOM 1308 C CB . CYS A 1 77 ? -13.769 13.993 -32.387 1.00 13.78 ? 67 CYS A CB 1 -ATOM 1309 S SG . CYS A 1 77 ? -14.334 15.672 -31.912 1.00 15.24 ? 67 CYS A SG 1 -ATOM 1310 H H . CYS A 1 77 ? -15.906 14.207 -33.506 1.00 17.19 ? 67 CYS A H 1 -ATOM 1311 H HA . CYS A 1 77 ? -13.505 14.186 -34.395 1.00 16.67 ? 67 CYS A HA 1 -ATOM 1312 H HB2 . CYS A 1 77 ? -14.219 13.358 -31.809 1.00 16.54 ? 67 CYS A HB2 1 -ATOM 1313 H HB3 . CYS A 1 77 ? -12.811 13.954 -32.241 1.00 16.54 ? 67 CYS A HB3 1 -ATOM 1314 N N . LEU A 1 78 ? -12.509 11.989 -34.738 1.00 14.47 ? 68 LEU A N 1 -ATOM 1315 C CA . LEU A 1 78 ? -12.139 10.668 -35.238 1.00 15.23 ? 68 LEU A CA 1 -ATOM 1316 C C . LEU A 1 78 ? -11.861 9.688 -34.124 1.00 15.30 ? 68 LEU A C 1 -ATOM 1317 O O . LEU A 1 78 ? -11.983 8.489 -34.319 1.00 15.55 ? 68 LEU A O 1 -ATOM 1318 C CB . LEU A 1 78 ? -10.916 10.730 -36.172 1.00 15.24 ? 68 LEU A CB 1 -ATOM 1319 C CG . LEU A 1 78 ? -11.251 10.982 -37.646 1.00 18.47 ? 68 LEU A CG 1 -ATOM 1320 C CD1 . LEU A 1 78 ? -11.939 12.314 -37.890 1.00 20.04 ? 68 LEU A CD1 1 -ATOM 1321 C CD2 . LEU A 1 78 ? -10.004 10.867 -38.518 1.00 18.49 ? 68 LEU A CD2 1 -ATOM 1322 H H . LEU A 1 78 ? -11.927 12.603 -34.889 1.00 17.37 ? 68 LEU A H 1 -ATOM 1323 H HA . LEU A 1 78 ? -12.894 10.348 -35.756 1.00 18.28 ? 68 LEU A HA 1 -ATOM 1324 H HB2 . LEU A 1 78 ? -10.339 11.450 -35.875 1.00 18.29 ? 68 LEU A HB2 1 -ATOM 1325 H HB3 . LEU A 1 78 ? -10.445 9.884 -36.119 1.00 18.29 ? 68 LEU A HB3 1 -ATOM 1326 H HG . LEU A 1 78 ? -11.885 10.295 -37.906 1.00 22.16 ? 68 LEU A HG 1 -ATOM 1327 H HD11 . LEU A 1 78 ? -12.120 12.407 -38.838 1.00 24.05 ? 68 LEU A HD11 1 -ATOM 1328 H HD12 . LEU A 1 78 ? -12.770 12.337 -37.390 1.00 24.05 ? 68 LEU A HD12 1 -ATOM 1329 H HD13 . LEU A 1 78 ? -11.355 13.030 -37.593 1.00 24.05 ? 68 LEU A HD13 1 -ATOM 1330 H HD21 . LEU A 1 78 ? -10.252 11.015 -39.444 1.00 22.19 ? 68 LEU A HD21 1 -ATOM 1331 H HD22 . LEU A 1 78 ? -9.360 11.535 -38.237 1.00 22.19 ? 68 LEU A HD22 1 -ATOM 1332 H HD23 . LEU A 1 78 ? -9.627 9.979 -38.414 1.00 22.19 ? 68 LEU A HD23 1 -ATOM 1333 N N . TYR A 1 79 ? -11.476 10.172 -32.961 1.00 14.81 ? 69 TYR A N 1 -ATOM 1334 C CA . TYR A 1 79 ? -11.120 9.296 -31.835 1.00 14.20 ? 69 TYR A CA 1 -ATOM 1335 C C . TYR A 1 79 ? -12.317 8.868 -31.001 1.00 14.35 ? 69 TYR A C 1 -ATOM 1336 O O . TYR A 1 79 ? -12.185 7.929 -30.166 1.00 14.68 ? 69 TYR A O 1 -ATOM 1337 C CB . TYR A 1 79 ? -10.050 9.971 -30.967 1.00 14.19 ? 69 TYR A CB 1 -ATOM 1338 C CG . TYR A 1 79 ? -10.389 11.418 -30.619 1.00 13.33 ? 69 TYR A CG 1 -ATOM 1339 C CD1 . TYR A 1 79 ? -11.264 11.756 -29.596 1.00 14.16 ? 69 TYR A CD1 1 -ATOM 1340 C CD2 . TYR A 1 79 ? -9.779 12.463 -31.305 1.00 13.87 ? 69 TYR A CD2 1 -ATOM 1341 C CE1 . TYR A 1 79 ? -11.557 13.099 -29.308 1.00 13.38 ? 69 TYR A CE1 1 -ATOM 1342 C CE2 . TYR A 1 79 ? -10.066 13.749 -31.021 1.00 15.10 ? 69 TYR A CE2 1 -ATOM 1343 C CZ . TYR A 1 79 ? -10.934 14.087 -30.037 1.00 14.55 ? 69 TYR A CZ 1 -ATOM 1344 O OH . TYR A 1 79 ? -11.175 15.447 -29.804 1.00 16.65 ? 69 TYR A OH 1 -ATOM 1345 H H . TYR A 1 79 ? -11.409 11.011 -32.785 1.00 17.78 ? 69 TYR A H 1 -ATOM 1346 H HA . TYR A 1 79 ? -10.726 8.478 -32.176 1.00 17.04 ? 69 TYR A HA 1 -ATOM 1347 H HB2 . TYR A 1 79 ? -9.960 9.477 -30.137 1.00 17.03 ? 69 TYR A HB2 1 -ATOM 1348 H HB3 . TYR A 1 79 ? -9.208 9.969 -31.448 1.00 17.03 ? 69 TYR A HB3 1 -ATOM 1349 H HD1 . TYR A 1 79 ? -11.663 11.083 -29.093 1.00 16.99 ? 69 TYR A HD1 1 -ATOM 1350 H HD2 . TYR A 1 79 ? -9.161 12.271 -31.974 1.00 16.64 ? 69 TYR A HD2 1 -ATOM 1351 H HE1 . TYR A 1 79 ? -12.162 13.318 -28.636 1.00 16.05 ? 69 TYR A HE1 1 -ATOM 1352 H HE2 . TYR A 1 79 ? -9.656 14.423 -31.513 1.00 18.12 ? 69 TYR A HE2 1 -ATOM 1353 H HH . TYR A 1 79 ? -11.772 15.537 -29.221 1.00 19.98 ? 69 TYR A HH 1 -ATOM 1354 N N . CYS A 1 80 ? -13.440 9.558 -31.052 1.00 13.93 ? 70 CYS A N 1 -ATOM 1355 C CA . CYS A 1 80 ? -14.444 9.474 -29.999 1.00 13.99 ? 70 CYS A CA 1 -ATOM 1356 C C . CYS A 1 80 ? -15.599 8.564 -30.367 1.00 12.82 ? 70 CYS A C 1 -ATOM 1357 O O . CYS A 1 80 ? -16.193 8.710 -31.427 1.00 14.65 ? 70 CYS A O 1 -ATOM 1358 C CB . CYS A 1 80 ? -14.962 10.878 -29.743 1.00 14.33 ? 70 CYS A CB 1 -ATOM 1359 S SG . CYS A 1 80 ? -16.178 10.968 -28.388 1.00 14.41 ? 70 CYS A SG 1 -ATOM 1360 H H . CYS A 1 80 ? -13.651 10.090 -31.694 1.00 16.72 ? 70 CYS A H 1 -ATOM 1361 H HA . CYS A 1 80 ? -14.046 9.085 -29.204 1.00 16.79 ? 70 CYS A HA 1 -ATOM 1362 H HB2 . CYS A 1 80 ? -14.213 11.450 -29.509 1.00 17.19 ? 70 CYS A HB2 1 -ATOM 1363 H HB3 . CYS A 1 80 ? -15.390 11.205 -30.549 1.00 17.19 ? 70 CYS A HB3 1 -ATOM 1364 N N . GLY A 1 81 ? -15.978 7.649 -29.451 1.00 13.51 ? 71 GLY A N 1 -ATOM 1365 C CA . GLY A 1 81 ? -17.103 6.788 -29.705 1.00 14.64 ? 71 GLY A CA 1 -ATOM 1366 C C . GLY A 1 81 ? -18.435 7.519 -29.861 1.00 14.03 ? 71 GLY A C 1 -ATOM 1367 O O . GLY A 1 81 ? -19.379 6.932 -30.411 1.00 16.44 ? 71 GLY A O 1 -ATOM 1368 H H . GLY A 1 81 ? -15.593 7.525 -28.692 1.00 16.21 ? 71 GLY A H 1 -ATOM 1369 H HA2 . GLY A 1 81 ? -16.939 6.291 -30.522 1.00 17.57 ? 71 GLY A HA2 1 -ATOM 1370 H HA3 . GLY A 1 81 ? -17.191 6.163 -28.968 1.00 17.57 ? 71 GLY A HA3 1 -ATOM 1371 N N . LEU A 1 82 ? -18.542 8.764 -29.372 1.00 13.94 ? 72 LEU A N 1 -ATOM 1372 C CA . LEU A 1 82 ? -19.793 9.497 -29.512 1.00 14.29 ? 72 LEU A CA 1 -ATOM 1373 C C . LEU A 1 82 ? -19.908 10.238 -30.829 1.00 14.57 ? 72 LEU A C 1 -ATOM 1374 O O . LEU A 1 82 ? -20.944 10.904 -31.084 1.00 15.22 ? 72 LEU A O 1 -ATOM 1375 C CB . LEU A 1 82 ? -20.003 10.504 -28.368 1.00 13.53 ? 72 LEU A CB 1 -ATOM 1376 C CG . LEU A 1 82 ? -19.868 9.926 -26.962 1.00 17.76 ? 72 LEU A CG 1 -ATOM 1377 C CD1 . LEU A 1 82 ? -20.347 10.991 -25.926 1.00 15.96 ? 72 LEU A CD1 1 -ATOM 1378 C CD2 . LEU A 1 82 ? -20.527 8.652 -26.782 1.00 20.61 ? 72 LEU A CD2 1 -ATOM 1379 H H . LEU A 1 82 ? -17.914 9.189 -28.965 1.00 16.73 ? 72 LEU A H 1 -ATOM 1380 H HA . LEU A 1 82 ? -20.505 8.841 -29.456 1.00 17.14 ? 72 LEU A HA 1 -ATOM 1381 H HB2 . LEU A 1 82 ? -19.343 11.209 -28.457 1.00 16.24 ? 72 LEU A HB2 1 -ATOM 1382 H HB3 . LEU A 1 82 ? -20.896 10.873 -28.446 1.00 16.24 ? 72 LEU A HB3 1 -ATOM 1383 H HG . LEU A 1 82 ? -18.932 9.724 -26.805 1.00 21.31 ? 72 LEU A HG 1 -ATOM 1384 H HD11 . LEU A 1 82 ? -20.244 10.631 -25.032 1.00 19.15 ? 72 LEU A HD11 1 -ATOM 1385 H HD12 . LEU A 1 82 ? -19.808 11.792 -26.024 1.00 19.15 ? 72 LEU A HD12 1 -ATOM 1386 H HD13 . LEU A 1 82 ? -21.279 11.198 -26.094 1.00 19.15 ? 72 LEU A HD13 1 -ATOM 1387 H HD21 . LEU A 1 82 ? -20.551 8.439 -25.836 1.00 24.73 ? 72 LEU A HD21 1 -ATOM 1388 H HD22 . LEU A 1 82 ? -21.431 8.712 -27.130 1.00 24.73 ? 72 LEU A HD22 1 -ATOM 1389 H HD23 . LEU A 1 82 ? -20.032 7.970 -27.263 1.00 24.73 ? 72 LEU A HD23 1 -ATOM 1390 N N . ARG A 1 83 ? -18.894 10.175 -31.672 1.00 13.87 ? 73 ARG A N 1 -ATOM 1391 C CA . ARG A 1 83 ? -18.962 10.878 -32.945 1.00 14.47 ? 73 ARG A CA 1 -ATOM 1392 C C . ARG A 1 83 ? -20.258 10.555 -33.666 1.00 15.01 ? 73 ARG A C 1 -ATOM 1393 O O . ARG A 1 83 ? -20.778 9.445 -33.618 1.00 15.17 ? 73 ARG A O 1 -ATOM 1394 C CB . ARG A 1 83 ? -17.749 10.510 -33.799 1.00 14.25 ? 73 ARG A CB 1 -ATOM 1395 C CG . ARG A 1 83 ? -17.697 9.063 -34.302 1.00 15.26 ? 73 ARG A CG 1 -ATOM 1396 C CD . ARG A 1 83 ? -16.281 8.646 -34.728 1.00 14.85 ? 73 ARG A CD 1 -ATOM 1397 N NE . ARG A 1 83 ? -15.746 9.590 -35.684 1.00 15.74 ? 73 ARG A NE 1 -ATOM 1398 C CZ . ARG A 1 83 ? -15.890 9.532 -36.996 1.00 15.66 ? 73 ARG A CZ 1 -ATOM 1399 N NH1 . ARG A 1 83 ? -16.485 8.512 -37.580 1.00 16.69 ? 73 ARG A NH1 1 -ATOM 1400 N NH2 . ARG A 1 83 ? -15.342 10.484 -37.733 1.00 18.07 ? 73 ARG A NH2 1 -ATOM 1401 H H . ARG A 1 83 ? -18.165 9.739 -31.536 1.00 16.64 ? 73 ARG A H 1 -ATOM 1402 H HA . ARG A 1 83 ? -18.943 11.837 -32.797 1.00 17.37 ? 73 ARG A HA 1 -ATOM 1403 H HB2 . ARG A 1 83 ? -17.742 11.085 -34.580 1.00 17.10 ? 73 ARG A HB2 1 -ATOM 1404 H HB3 . ARG A 1 83 ? -16.949 10.659 -33.271 1.00 17.10 ? 73 ARG A HB3 1 -ATOM 1405 H HG2 . ARG A 1 83 ? -17.986 8.469 -33.591 1.00 18.31 ? 73 ARG A HG2 1 -ATOM 1406 H HG3 . ARG A 1 83 ? -18.282 8.972 -35.070 1.00 18.31 ? 73 ARG A HG3 1 -ATOM 1407 H HD2 . ARG A 1 83 ? -15.700 8.627 -33.951 1.00 17.82 ? 73 ARG A HD2 1 -ATOM 1408 H HD3 . ARG A 1 83 ? -16.311 7.768 -35.141 1.00 17.82 ? 73 ARG A HD3 1 -ATOM 1409 H HE . ARG A 1 83 ? -15.294 10.251 -35.370 1.00 18.89 ? 73 ARG A HE 1 -ATOM 1410 H HH11 . ARG A 1 83 ? -16.791 7.863 -37.106 1.00 20.03 ? 73 ARG A HH11 1 -ATOM 1411 H HH12 . ARG A 1 83 ? -16.567 8.495 -38.436 1.00 20.03 ? 73 ARG A HH12 1 -ATOM 1412 H HH21 . ARG A 1 83 ? -14.905 11.122 -37.356 1.00 21.68 ? 73 ARG A HH21 1 -ATOM 1413 H HH22 . ARG A 1 83 ? -15.422 10.466 -38.589 1.00 21.68 ? 73 ARG A HH22 1 -ATOM 1414 N N . ARG A 1 84 ? -20.794 11.553 -34.345 1.00 14.70 ? 74 ARG A N 1 -ATOM 1415 C CA . ARG A 1 84 ? -22.117 11.399 -34.938 1.00 16.31 ? 74 ARG A CA 1 -ATOM 1416 C C . ARG A 1 84 ? -22.190 10.263 -35.952 1.00 17.61 ? 74 ARG A C 1 -ATOM 1417 O O . ARG A 1 84 ? -23.254 9.669 -36.119 1.00 17.79 ? 74 ARG A O 1 -ATOM 1418 C CB . ARG A 1 84 ? -22.572 12.714 -35.597 1.00 16.40 ? 74 ARG A CB 1 -ATOM 1419 C CG . ARG A 1 84 ? -21.778 13.146 -36.790 1.00 18.14 ? 74 ARG A CG 1 -ATOM 1420 C CD . ARG A 1 84 ? -22.313 14.448 -37.433 1.00 19.42 ? 74 ARG A CD 1 -ATOM 1421 N NE . ARG A 1 84 ? -21.499 14.684 -38.618 1.00 19.31 ? 74 ARG A NE 1 -ATOM 1422 C CZ . ARG A 1 84 ? -20.470 15.550 -38.675 1.00 18.91 ? 74 ARG A CZ 1 -ATOM 1423 N NH1 . ARG A 1 84 ? -20.164 16.363 -37.654 1.00 19.12 ? 74 ARG A NH1 1 -ATOM 1424 N NH2 . ARG A 1 84 ? -19.702 15.554 -39.792 1.00 19.61 ? 74 ARG A NH2 1 -ATOM 1425 H H . ARG A 1 84 ? -20.423 12.318 -34.477 1.00 17.64 ? 74 ARG A H 1 -ATOM 1426 H HA . ARG A 1 84 ? -22.731 11.187 -34.217 1.00 19.57 ? 74 ARG A HA 1 -ATOM 1427 H HB2 . ARG A 1 84 ? -23.492 12.608 -35.885 1.00 19.68 ? 74 ARG A HB2 1 -ATOM 1428 H HB3 . ARG A 1 84 ? -22.510 13.422 -34.937 1.00 19.68 ? 74 ARG A HB3 1 -ATOM 1429 H HG2 . ARG A 1 84 ? -20.860 13.303 -36.518 1.00 21.76 ? 74 ARG A HG2 1 -ATOM 1430 H HG3 . ARG A 1 84 ? -21.810 12.446 -37.461 1.00 21.76 ? 74 ARG A HG3 1 -ATOM 1431 H HD2 . ARG A 1 84 ? -23.242 14.343 -37.691 1.00 23.30 ? 74 ARG A HD2 1 -ATOM 1432 H HD3 . ARG A 1 84 ? -22.221 15.194 -36.820 1.00 23.30 ? 74 ARG A HD3 1 -ATOM 1433 H HE . ARG A 1 84 ? -21.688 14.239 -39.330 1.00 23.17 ? 74 ARG A HE 1 -ATOM 1434 H HH11 . ARG A 1 84 ? -20.631 16.341 -36.932 1.00 22.94 ? 74 ARG A HH11 1 -ATOM 1435 H HH12 . ARG A 1 84 ? -19.500 16.906 -37.721 1.00 22.94 ? 74 ARG A HH12 1 -ATOM 1436 H HH21 . ARG A 1 84 ? -19.879 15.014 -40.437 1.00 23.54 ? 74 ARG A HH21 1 -ATOM 1437 H HH22 . ARG A 1 84 ? -19.039 16.097 -39.856 1.00 23.54 ? 74 ARG A HH22 1 -ATOM 1438 N N . ASP A 1 85 ? -21.080 9.941 -36.615 1.00 16.53 ? 75 ASP A N 1 -ATOM 1439 C CA . ASP A 1 85 ? -21.121 8.846 -37.590 1.00 18.15 ? 75 ASP A CA 1 -ATOM 1440 C C . ASP A 1 85 ? -21.168 7.458 -36.959 1.00 18.43 ? 75 ASP A C 1 -ATOM 1441 O O . ASP A 1 85 ? -21.384 6.484 -37.686 1.00 19.96 ? 75 ASP A O 1 -ATOM 1442 C CB . ASP A 1 85 ? -19.951 8.937 -38.567 1.00 17.92 ? 75 ASP A CB 1 -ATOM 1443 C CG . ASP A 1 85 ? -20.131 9.955 -39.651 1.00 22.01 ? 75 ASP A CG 1 -ATOM 1444 O OD1 . ASP A 1 85 ? -21.228 10.518 -39.746 1.00 23.76 ? 75 ASP A OD1 1 -ATOM 1445 O OD2 . ASP A 1 85 ? -19.163 10.122 -40.432 1.00 21.74 ? 75 ASP A OD2 1 -ATOM 1446 H H . ASP A 1 85 ? -20.317 10.325 -36.522 1.00 19.83 ? 75 ASP A H 1 -ATOM 1447 H HA . ASP A 1 85 ? -21.936 8.953 -38.106 1.00 21.78 ? 75 ASP A HA 1 -ATOM 1448 H HB2 . ASP A 1 85 ? -19.151 9.173 -38.072 1.00 21.50 ? 75 ASP A HB2 1 -ATOM 1449 H HB3 . ASP A 1 85 ? -19.835 8.073 -38.993 1.00 21.50 ? 75 ASP A HB3 1 -ATOM 1450 N N . ASN A 1 86 ? -21.003 7.302 -35.672 1.00 18.38 ? 76 ASN A N 1 -ATOM 1451 C CA . ASN A 1 86 ? -21.101 5.984 -35.017 1.00 17.57 ? 76 ASN A CA 1 -ATOM 1452 C C . ASN A 1 86 ? -22.558 5.644 -34.813 1.00 20.12 ? 76 ASN A C 1 -ATOM 1453 O O . ASN A 1 86 ? -23.203 6.083 -33.860 1.00 20.09 ? 76 ASN A O 1 -ATOM 1454 C CB . ASN A 1 86 ? -20.365 5.984 -33.695 1.00 17.52 ? 76 ASN A CB 1 -ATOM 1455 C CG . ASN A 1 86 ? -20.488 4.657 -32.986 1.00 19.65 ? 76 ASN A CG 1 -ATOM 1456 O OD1 . ASN A 1 86 ? -20.999 3.673 -33.586 1.00 22.43 ? 76 ASN A OD1 1 -ATOM 1457 N ND2 . ASN A 1 86 ? -20.082 4.594 -31.751 1.00 18.76 ? 76 ASN A ND2 1 -ATOM 1458 H H . ASN A 1 86 ? -20.830 7.946 -35.129 1.00 22.05 ? 76 ASN A H 1 -ATOM 1459 H HA . ASN A 1 86 ? -20.705 5.320 -35.603 1.00 21.09 ? 76 ASN A HA 1 -ATOM 1460 H HB2 . ASN A 1 86 ? -19.424 6.159 -33.852 1.00 21.03 ? 76 ASN A HB2 1 -ATOM 1461 H HB3 . ASN A 1 86 ? -20.739 6.671 -33.121 1.00 21.03 ? 76 ASN A HB3 1 -ATOM 1462 H HD21 . ASN A 1 86 ? -20.138 3.854 -31.318 1.00 22.52 ? 76 ASN A HD21 1 -ATOM 1463 H HD22 . ASN A 1 86 ? -19.759 5.293 -31.369 1.00 22.52 ? 76 ASN A HD22 1 -ATOM 1464 N N . LYS A 1 87 ? -23.133 4.904 -35.747 1.00 20.15 ? 77 LYS A N 1 -ATOM 1465 C CA . LYS A 1 87 ? -24.521 4.505 -35.635 1.00 22.31 ? 77 LYS A CA 1 -ATOM 1466 C C . LYS A 1 87 ? -24.721 3.262 -34.775 1.00 21.09 ? 77 LYS A C 1 -ATOM 1467 O O . LYS A 1 87 ? -25.875 2.879 -34.567 1.00 28.77 ? 77 LYS A O 1 -ATOM 1468 C CB . LYS A 1 87 ? -25.125 4.283 -37.033 1.00 26.86 ? 77 LYS A CB 1 -ATOM 1469 C CG . LYS A 1 87 ? -24.921 5.409 -37.985 1.00 27.30 ? 77 LYS A CG 1 -ATOM 1470 C CD . LYS A 1 87 ? -25.397 6.763 -37.475 1.00 63.69 ? 77 LYS A CD 1 -ATOM 1471 C CE . LYS A 1 87 ? -25.074 7.879 -38.475 1.00 84.30 ? 77 LYS A CE 1 -ATOM 1472 N NZ . LYS A 1 87 ? -25.661 9.193 -38.086 1.00 76.04 ? 77 LYS A NZ 1 -ATOM 1473 H H . LYS A 1 87 ? -22.739 4.620 -36.457 1.00 24.18 ? 77 LYS A H 1 -ATOM 1474 H HA . LYS A 1 87 ? -25.015 5.227 -35.216 1.00 26.77 ? 77 LYS A HA 1 -ATOM 1475 H HB2 . LYS A 1 87 ? -24.717 3.494 -37.422 1.00 32.23 ? 77 LYS A HB2 1 -ATOM 1476 H HB3 . LYS A 1 87 ? -26.081 4.150 -36.938 1.00 32.23 ? 77 LYS A HB3 1 -ATOM 1477 H HG2 . LYS A 1 87 ? -23.973 5.486 -38.176 1.00 32.76 ? 77 LYS A HG2 1 -ATOM 1478 H HG3 . LYS A 1 87 ? -25.409 5.217 -38.802 1.00 32.76 ? 77 LYS A HG3 1 -ATOM 1479 H HD2 . LYS A 1 87 ? -26.358 6.738 -37.344 1.00 76.43 ? 77 LYS A HD2 1 -ATOM 1480 H HD3 . LYS A 1 87 ? -24.953 6.965 -36.636 1.00 76.43 ? 77 LYS A HD3 1 -ATOM 1481 H HE2 . LYS A 1 87 ? -24.111 7.985 -38.530 1.00 101.16 ? 77 LYS A HE2 1 -ATOM 1482 H HE3 . LYS A 1 87 ? -25.430 7.637 -39.344 1.00 101.16 ? 77 LYS A HE3 1 -ATOM 1483 H HZ1 . LYS A 1 87 ? -25.444 9.813 -38.686 1.00 91.25 ? 77 LYS A HZ1 1 -ATOM 1484 H HZ2 . LYS A 1 87 ? -26.548 9.130 -38.044 1.00 91.25 ? 77 LYS A HZ2 1 -ATOM 1485 H HZ3 . LYS A 1 87 ? -25.351 9.441 -37.290 1.00 91.25 ? 77 LYS A HZ3 1 -ATOM 1486 N N A ASN A 1 88 ? -23.665 2.597 -34.297 0.50 25.78 ? 78 ASN A N 1 -ATOM 1487 N N B ASN A 1 88 ? -23.620 2.631 -34.295 0.50 18.86 ? 78 ASN A N 1 -ATOM 1488 C CA A ASN A 1 88 ? -23.857 1.389 -33.476 0.50 22.56 ? 78 ASN A CA 1 -ATOM 1489 C CA B ASN A 1 88 ? -23.630 1.427 -33.458 0.50 23.50 ? 78 ASN A CA 1 -ATOM 1490 C C A ASN A 1 88 ? -24.401 1.764 -32.088 0.50 21.89 ? 78 ASN A C 1 -ATOM 1491 C C B ASN A 1 88 ? -23.695 1.752 -31.968 0.50 23.67 ? 78 ASN A C 1 -ATOM 1492 O O A ASN A 1 88 ? -25.160 1.005 -31.472 0.50 28.45 ? 78 ASN A O 1 -ATOM 1493 O O B ASN A 1 88 ? -23.135 1.016 -31.149 0.50 28.08 ? 78 ASN A O 1 -ATOM 1494 C CB A ASN A 1 88 ? -22.504 0.648 -33.422 0.50 23.87 ? 78 ASN A CB 1 -ATOM 1495 C CB B ASN A 1 88 ? -22.361 0.591 -33.667 0.50 31.48 ? 78 ASN A CB 1 -ATOM 1496 C CG A ASN A 1 88 ? -22.593 -0.811 -32.996 0.50 29.29 ? 78 ASN A CG 1 -ATOM 1497 C CG B ASN A 1 88 ? -22.286 -0.061 -35.017 0.50 33.48 ? 78 ASN A CG 1 -ATOM 1498 O OD1 A ASN A 1 88 ? -23.619 -1.461 -33.129 0.50 30.10 ? 78 ASN A OD1 1 -ATOM 1499 O OD1 B ASN A 1 88 ? -23.304 -0.253 -35.687 0.50 41.53 ? 78 ASN A OD1 1 -ATOM 1500 N ND2 A ASN A 1 88 ? -21.459 -1.347 -32.532 0.50 28.16 ? 78 ASN A ND2 1 -ATOM 1501 N ND2 B ASN A 1 88 ? -21.067 -0.426 -35.422 0.50 40.74 ? 78 ASN A ND2 1 -ATOM 1502 H H A ASN A 1 88 ? -22.844 2.815 -34.428 0.50 30.93 ? 78 ASN A H 1 -ATOM 1503 H H B ASN A 1 88 ? -22.820 2.904 -34.455 0.50 22.64 ? 78 ASN A H 1 -ATOM 1504 H HA A ASN A 1 88 ? -24.507 0.779 -33.859 0.50 27.08 ? 78 ASN A HA 1 -ATOM 1505 H HA B ASN A 1 88 ? -24.407 0.914 -33.732 0.50 28.19 ? 78 ASN A HA 1 -ATOM 1506 H HB2 A ASN A 1 88 ? -22.105 0.670 -34.306 0.50 28.64 ? 78 ASN A HB2 1 -ATOM 1507 H HB2 B ASN A 1 88 ? -21.587 1.168 -33.574 0.50 37.78 ? 78 ASN A HB2 1 -ATOM 1508 H HB3 A ASN A 1 88 ? -21.928 1.103 -32.787 0.50 28.64 ? 78 ASN A HB3 1 -ATOM 1509 H HB3 B ASN A 1 88 ? -22.335 -0.111 -32.998 0.50 37.78 ? 78 ASN A HB3 1 -ATOM 1510 H HD21 A ASN A 1 88 ? -21.445 -2.168 -32.275 0.50 33.80 ? 78 ASN A HD21 1 -ATOM 1511 H HD21 B ASN A 1 88 ? -20.963 -0.804 -36.188 0.50 48.88 ? 78 ASN A HD21 1 -ATOM 1512 H HD22 A ASN A 1 88 ? -20.744 -0.871 -32.489 0.50 33.80 ? 78 ASN A HD22 1 -ATOM 1513 H HD22 B ASN A 1 88 ? -20.385 -0.283 -34.918 0.50 48.88 ? 78 ASN A HD22 1 -ATOM 1514 N N A LEU A 1 89 ? -24.096 2.948 -31.620 0.41 25.62 ? 79 LEU A N 1 -ATOM 1515 N N B LEU A 1 89 ? -24.305 2.866 -31.603 0.59 21.49 ? 79 LEU A N 1 -ATOM 1516 C CA A LEU A 1 89 ? -24.366 3.305 -30.240 0.41 19.82 ? 79 LEU A CA 1 -ATOM 1517 C CA B LEU A 1 89 ? -24.377 3.295 -30.211 0.59 20.75 ? 79 LEU A CA 1 -ATOM 1518 C C A LEU A 1 89 ? -25.819 3.749 -30.034 0.41 16.97 ? 79 LEU A C 1 -ATOM 1519 C C B LEU A 1 89 ? -25.766 3.837 -29.956 0.59 22.62 ? 79 LEU A C 1 -ATOM 1520 O O A LEU A 1 89 ? -26.380 4.497 -30.839 0.41 20.31 ? 79 LEU A O 1 -ATOM 1521 O O B LEU A 1 89 ? -26.188 4.778 -30.646 0.59 21.00 ? 79 LEU A O 1 -ATOM 1522 C CB . LEU A 1 89 ? -23.384 4.415 -29.919 1.00 20.59 ? 79 LEU A CB 1 -ATOM 1523 C CG . LEU A 1 89 ? -23.366 4.875 -28.459 1.00 20.20 ? 79 LEU A CG 1 -ATOM 1524 C CD1 . LEU A 1 89 ? -22.958 3.730 -27.503 1.00 21.62 ? 79 LEU A CD1 1 -ATOM 1525 C CD2 . LEU A 1 89 ? -22.428 6.025 -28.346 1.00 20.41 ? 79 LEU A CD2 1 -ATOM 1526 H H A LEU A 1 89 ? -23.728 3.573 -32.081 0.50 30.75 ? 79 LEU A H 1 -ATOM 1527 H H B LEU A 1 89 ? -24.694 3.403 -32.151 0.50 25.79 ? 79 LEU A H 1 -ATOM 1528 H HA A LEU A 1 89 ? -24.257 2.555 -29.634 0.41 23.79 ? 79 LEU A HA 1 -ATOM 1529 H HA B LEU A 1 89 ? -24.192 2.532 -29.642 0.59 24.90 ? 79 LEU A HA 1 -ATOM 1530 H HB2 A LEU A 1 89 ? -22.491 4.104 -30.135 0.41 24.70 ? 79 LEU A HB2 1 -ATOM 1531 H HB2 B LEU A 1 89 ? -22.493 4.103 -30.140 0.59 24.70 ? 79 LEU A HB2 1 -ATOM 1532 H HB3 A LEU A 1 89 ? -23.608 5.186 -30.463 0.41 24.70 ? 79 LEU A HB3 1 -ATOM 1533 H HB3 B LEU A 1 89 ? -23.613 5.182 -30.466 0.59 24.70 ? 79 LEU A HB3 1 -ATOM 1534 H HG . LEU A 1 89 ? -24.256 5.148 -28.188 1.00 24.24 ? 79 LEU A HG 1 -ATOM 1535 H HD11 . LEU A 1 89 ? -22.819 4.095 -26.615 1.00 25.94 ? 79 LEU A HD11 1 -ATOM 1536 H HD12 . LEU A 1 89 ? -23.668 3.069 -27.482 1.00 25.94 ? 79 LEU A HD12 1 -ATOM 1537 H HD13 . LEU A 1 89 ? -22.139 3.325 -27.827 1.00 25.94 ? 79 LEU A HD13 1 -ATOM 1538 H HD21 . LEU A 1 89 ? -22.401 6.321 -27.423 1.00 24.49 ? 79 LEU A HD21 1 -ATOM 1539 H HD22 . LEU A 1 89 ? -21.544 5.741 -28.628 1.00 24.49 ? 79 LEU A HD22 1 -ATOM 1540 H HD23 . LEU A 1 89 ? -22.741 6.745 -28.916 1.00 24.49 ? 79 LEU A HD23 1 -ATOM 1541 N N . LYS A 1 90 ? -26.444 3.292 -28.952 1.00 19.55 ? 80 LYS A N 1 -ATOM 1542 C CA . LYS A 1 90 ? -27.749 3.816 -28.570 1.00 19.16 ? 80 LYS A CA 1 -ATOM 1543 C C . LYS A 1 90 ? -27.542 5.194 -27.911 1.00 17.18 ? 80 LYS A C 1 -ATOM 1544 O O . LYS A 1 90 ? -26.717 5.379 -27.034 1.00 17.73 ? 80 LYS A O 1 -ATOM 1545 C CB . LYS A 1 90 ? -28.427 2.855 -27.586 1.00 20.38 ? 80 LYS A CB 1 -ATOM 1546 C CG . LYS A 1 90 ? -29.758 3.355 -27.028 1.00 27.39 ? 80 LYS A CG 1 -ATOM 1547 C CD . LYS A 1 90 ? -30.847 3.366 -28.040 1.00 68.87 ? 80 LYS A CD 1 -ATOM 1548 C CE . LYS A 1 90 ? -32.201 3.651 -27.400 1.00 54.25 ? 80 LYS A CE 1 -ATOM 1549 N NZ . LYS A 1 90 ? -33.222 3.847 -28.464 1.00 93.55 ? 80 LYS A NZ 1 -ATOM 1550 H HA . LYS A 1 90 ? -28.325 3.908 -29.345 1.00 22.99 ? 80 LYS A HA 1 -ATOM 1551 H HB2 . LYS A 1 90 ? -28.597 2.015 -28.040 1.00 24.45 ? 80 LYS A HB2 1 -ATOM 1552 H HB3 . LYS A 1 90 ? -27.830 2.711 -26.834 1.00 24.45 ? 80 LYS A HB3 1 -ATOM 1553 H HG2 . LYS A 1 90 ? -30.033 2.775 -26.300 1.00 32.86 ? 80 LYS A HG2 1 -ATOM 1554 H HG3 . LYS A 1 90 ? -29.643 4.262 -26.704 1.00 32.86 ? 80 LYS A HG3 1 -ATOM 1555 H HD2 . LYS A 1 90 ? -30.669 4.057 -28.697 1.00 82.65 ? 80 LYS A HD2 1 -ATOM 1556 H HD3 . LYS A 1 90 ? -30.892 2.500 -28.474 1.00 82.65 ? 80 LYS A HD3 1 -ATOM 1557 H HE2 . LYS A 1 90 ? -32.467 2.901 -26.845 1.00 65.10 ? 80 LYS A HE2 1 -ATOM 1558 H HE3 . LYS A 1 90 ? -32.148 4.458 -26.864 1.00 65.10 ? 80 LYS A HE3 1 -ATOM 1559 H HZ1 . LYS A 1 90 ? -34.016 4.009 -28.097 1.00 112.27 ? 80 LYS A HZ1 1 -ATOM 1560 H HZ2 . LYS A 1 90 ? -32.996 4.537 -28.979 1.00 112.27 ? 80 LYS A HZ2 1 -ATOM 1561 H HZ3 . LYS A 1 90 ? -33.280 3.117 -28.969 1.00 112.27 ? 80 LYS A HZ3 1 -ATOM 1562 N N . ARG A 1 91 ? -28.304 6.176 -28.349 1.00 16.95 ? 81 ARG A N 1 -ATOM 1563 C CA . ARG A 1 91 ? -28.193 7.527 -27.832 1.00 16.38 ? 81 ARG A CA 1 -ATOM 1564 C C . ARG A 1 91 ? -29.261 7.780 -26.774 1.00 16.30 ? 81 ARG A C 1 -ATOM 1565 O O . ARG A 1 91 ? -30.337 7.185 -26.774 1.00 18.37 ? 81 ARG A O 1 -ATOM 1566 C CB . ARG A 1 91 ? -28.310 8.500 -29.004 1.00 17.48 ? 81 ARG A CB 1 -ATOM 1567 C CG . ARG A 1 91 ? -27.266 8.255 -30.107 1.00 18.08 ? 81 ARG A CG 1 -ATOM 1568 C CD . ARG A 1 91 ? -25.897 8.677 -29.715 1.00 18.13 ? 81 ARG A CD 1 -ATOM 1569 N NE . ARG A 1 91 ? -24.977 8.354 -30.825 1.00 17.18 ? 81 ARG A NE 1 -ATOM 1570 C CZ . ARG A 1 91 ? -23.824 8.933 -31.028 1.00 17.88 ? 81 ARG A CZ 1 -ATOM 1571 N NH1 . ARG A 1 91 ? -23.393 9.904 -30.245 1.00 16.98 ? 81 ARG A NH1 1 -ATOM 1572 N NH2 . ARG A 1 91 ? -23.060 8.552 -32.077 1.00 18.16 ? 81 ARG A NH2 1 -ATOM 1573 H H . ARG A 1 91 ? -28.906 6.085 -28.957 1.00 20.35 ? 81 ARG A H 1 -ATOM 1574 H HA . ARG A 1 91 ? -27.342 7.674 -27.391 1.00 19.66 ? 81 ARG A HA 1 -ATOM 1575 H HB2 . ARG A 1 91 ? -29.190 8.408 -29.402 1.00 20.97 ? 81 ARG A HB2 1 -ATOM 1576 H HB3 . ARG A 1 91 ? -28.189 9.404 -28.675 1.00 20.97 ? 81 ARG A HB3 1 -ATOM 1577 H HG2 . ARG A 1 91 ? -27.238 7.306 -30.310 1.00 21.69 ? 81 ARG A HG2 1 -ATOM 1578 H HG3 . ARG A 1 91 ? -27.518 8.756 -30.898 1.00 21.69 ? 81 ARG A HG3 1 -ATOM 1579 H HD2 . ARG A 1 91 ? -25.877 9.634 -29.552 1.00 21.76 ? 81 ARG A HD2 1 -ATOM 1580 H HD3 . ARG A 1 91 ? -25.616 8.200 -28.918 1.00 21.76 ? 81 ARG A HD3 1 -ATOM 1581 H HE . ARG A 1 91 ? -25.218 7.741 -31.377 1.00 20.62 ? 81 ARG A HE 1 -ATOM 1582 H HH11 . ARG A 1 91 ? -23.875 10.169 -29.583 1.00 20.37 ? 81 ARG A HH11 1 -ATOM 1583 H HH12 . ARG A 1 91 ? -22.630 10.272 -30.396 1.00 20.37 ? 81 ARG A HH12 1 -ATOM 1584 H HH21 . ARG A 1 91 ? -23.334 7.932 -32.606 1.00 21.79 ? 81 ARG A HH21 1 -ATOM 1585 H HH22 . ARG A 1 91 ? -22.300 8.930 -32.215 1.00 21.79 ? 81 ARG A HH22 1 -ATOM 1586 N N . TYR A 1 92 ? -28.919 8.672 -25.850 1.00 15.62 ? 82 TYR A N 1 -ATOM 1587 C CA . TYR A 1 92 ? -29.819 9.028 -24.769 1.00 15.92 ? 82 TYR A CA 1 -ATOM 1588 C C . TYR A 1 92 ? -29.619 10.489 -24.401 1.00 14.19 ? 82 TYR A C 1 -ATOM 1589 O O . TYR A 1 92 ? -28.598 11.122 -24.662 1.00 14.75 ? 82 TYR A O 1 -ATOM 1590 C CB . TYR A 1 92 ? -29.522 8.187 -23.478 1.00 14.89 ? 82 TYR A CB 1 -ATOM 1591 C CG . TYR A 1 92 ? -28.219 8.540 -22.795 1.00 14.99 ? 82 TYR A CG 1 -ATOM 1592 C CD1 . TYR A 1 92 ? -27.031 7.891 -23.142 1.00 15.54 ? 82 TYR A CD1 1 -ATOM 1593 C CD2 . TYR A 1 92 ? -28.145 9.526 -21.815 1.00 15.45 ? 82 TYR A CD2 1 -ATOM 1594 C CE1 . TYR A 1 92 ? -25.829 8.206 -22.543 1.00 14.69 ? 82 TYR A CE1 1 -ATOM 1595 C CE2 . TYR A 1 92 ? -26.927 9.887 -21.215 1.00 13.92 ? 82 TYR A CE2 1 -ATOM 1596 C CZ . TYR A 1 92 ? -25.778 9.216 -21.569 1.00 14.31 ? 82 TYR A CZ 1 -ATOM 1597 O OH . TYR A 1 92 ? -24.555 9.481 -21.008 1.00 14.70 ? 82 TYR A OH 1 -ATOM 1598 H H . TYR A 1 92 ? -28.166 9.085 -25.831 1.00 18.74 ? 82 TYR A H 1 -ATOM 1599 H HA . TYR A 1 92 ? -30.728 8.882 -25.077 1.00 19.11 ? 82 TYR A HA 1 -ATOM 1600 H HB2 . TYR A 1 92 ? -30.238 8.334 -22.840 1.00 17.87 ? 82 TYR A HB2 1 -ATOM 1601 H HB3 . TYR A 1 92 ? -29.482 7.249 -23.722 1.00 17.87 ? 82 TYR A HB3 1 -ATOM 1602 H HD1 . TYR A 1 92 ? -27.052 7.229 -23.795 1.00 18.65 ? 82 TYR A HD1 1 -ATOM 1603 H HD2 . TYR A 1 92 ? -28.924 9.959 -21.549 1.00 18.53 ? 82 TYR A HD2 1 -ATOM 1604 H HE1 . TYR A 1 92 ? -25.054 7.750 -22.784 1.00 17.63 ? 82 TYR A HE1 1 -ATOM 1605 H HE2 . TYR A 1 92 ? -26.897 10.571 -20.586 1.00 16.71 ? 82 TYR A HE2 1 -ATOM 1606 H HH . TYR A 1 92 ? -24.616 10.133 -20.481 1.00 17.64 ? 82 TYR A HH 1 -ATOM 1607 N N . ARG A 1 93 ? -30.651 11.003 -23.745 1.00 15.64 ? 83 ARG A N 1 -ATOM 1608 C CA . ARG A 1 93 ? -30.632 12.292 -23.071 1.00 16.36 ? 83 ARG A CA 1 -ATOM 1609 C C . ARG A 1 93 ? -31.374 12.172 -21.775 1.00 16.74 ? 83 ARG A C 1 -ATOM 1610 O O . ARG A 1 93 ? -32.480 11.657 -21.732 1.00 17.71 ? 83 ARG A O 1 -ATOM 1611 C CB . ARG A 1 93 ? -31.494 13.302 -23.869 1.00 22.41 ? 83 ARG A CB 1 -ATOM 1612 C CG . ARG A 1 93 ? -30.876 13.750 -25.120 1.00 22.02 ? 83 ARG A CG 1 -ATOM 1613 C CD . ARG A 1 93 ? -31.826 14.719 -25.785 1.00 22.22 ? 83 ARG A CD 1 -ATOM 1614 N NE . ARG A 1 93 ? -31.118 15.293 -26.878 1.00 18.23 ? 83 ARG A NE 1 -ATOM 1615 C CZ . ARG A 1 93 ? -31.615 15.475 -28.082 1.00 19.48 ? 83 ARG A CZ 1 -ATOM 1616 N NH1 . ARG A 1 93 ? -32.829 15.058 -28.405 1.00 20.36 ? 83 ARG A NH1 1 -ATOM 1617 N NH2 . ARG A 1 93 ? -30.874 16.069 -28.985 1.00 18.83 ? 83 ARG A NH2 1 -ATOM 1618 H H . ARG A 1 93 ? -31.410 10.605 -23.672 1.00 18.77 ? 83 ARG A H 1 -ATOM 1619 H HA . ARG A 1 93 ? -29.711 12.572 -22.950 1.00 19.64 ? 83 ARG A HA 1 -ATOM 1620 H HB2 . ARG A 1 93 ? -32.340 12.883 -24.091 1.00 26.89 ? 83 ARG A HB2 1 -ATOM 1621 H HB3 . ARG A 1 93 ? -31.647 14.086 -23.318 1.00 26.89 ? 83 ARG A HB3 1 -ATOM 1622 H HG2 . ARG A 1 93 ? -30.036 14.199 -24.937 1.00 26.43 ? 83 ARG A HG2 1 -ATOM 1623 H HG3 . ARG A 1 93 ? -30.726 12.994 -25.709 1.00 26.43 ? 83 ARG A HG3 1 -ATOM 1624 H HD2 . ARG A 1 93 ? -32.611 14.255 -26.113 1.00 26.67 ? 83 ARG A HD2 1 -ATOM 1625 H HD3 . ARG A 1 93 ? -32.088 15.417 -25.164 1.00 26.67 ? 83 ARG A HD3 1 -ATOM 1626 H HE . ARG A 1 93 ? -30.305 15.539 -26.741 1.00 21.88 ? 83 ARG A HE 1 -ATOM 1627 H HH11 . ARG A 1 93 ? -33.315 14.655 -27.821 1.00 24.43 ? 83 ARG A HH11 1 -ATOM 1628 H HH12 . ARG A 1 93 ? -33.132 15.189 -29.199 1.00 24.43 ? 83 ARG A HH12 1 -ATOM 1629 H HH21 . ARG A 1 93 ? -30.080 16.331 -28.784 1.00 22.59 ? 83 ARG A HH21 1 -ATOM 1630 H HH22 . ARG A 1 93 ? -31.182 16.197 -29.777 1.00 22.59 ? 83 ARG A HH22 1 -ATOM 1631 N N . MET A 1 94 ? -30.788 12.740 -20.714 1.00 15.23 ? 84 MET A N 1 -ATOM 1632 C CA . MET A 1 94 ? -31.452 12.822 -19.399 1.00 15.13 ? 84 MET A CA 1 -ATOM 1633 C C . MET A 1 94 ? -32.308 14.070 -19.314 1.00 15.62 ? 84 MET A C 1 -ATOM 1634 O O . MET A 1 94 ? -31.917 15.138 -19.811 1.00 16.74 ? 84 MET A O 1 -ATOM 1635 C CB . MET A 1 94 ? -30.413 12.845 -18.289 1.00 14.98 ? 84 MET A CB 1 -ATOM 1636 C CG . MET A 1 94 ? -29.632 11.567 -18.210 1.00 15.50 ? 84 MET A CG 1 -ATOM 1637 S SD . MET A 1 94 ? -28.323 11.539 -16.929 1.00 15.81 ? 84 MET A SD 1 -ATOM 1638 C CE . MET A 1 94 ? -29.273 11.667 -15.410 1.00 16.82 ? 84 MET A CE 1 -ATOM 1639 H H . MET A 1 94 ? -30.002 13.088 -20.727 1.00 18.28 ? 84 MET A H 1 -ATOM 1640 H HA . MET A 1 94 ? -32.017 12.043 -19.280 1.00 18.15 ? 84 MET A HA 1 -ATOM 1641 H HB2 . MET A 1 94 ? -29.790 13.570 -18.453 1.00 17.98 ? 84 MET A HB2 1 -ATOM 1642 H HB3 . MET A 1 94 ? -30.860 12.979 -17.439 1.00 17.98 ? 84 MET A HB3 1 -ATOM 1643 H HG2 . MET A 1 94 ? -30.247 10.843 -18.013 1.00 18.60 ? 84 MET A HG2 1 -ATOM 1644 H HG3 . MET A 1 94 ? -29.204 11.415 -19.067 1.00 18.60 ? 84 MET A HG3 1 -ATOM 1645 H HE1 . MET A 1 94 ? -28.666 11.633 -14.654 1.00 20.18 ? 84 MET A HE1 1 -ATOM 1646 H HE2 . MET A 1 94 ? -29.756 12.508 -15.409 1.00 20.18 ? 84 MET A HE2 1 -ATOM 1647 H HE3 . MET A 1 94 ? -29.898 10.926 -15.365 1.00 20.18 ? 84 MET A HE3 1 -ATOM 1648 N N . THR A 1 95 ? -33.430 13.973 -18.637 1.00 17.11 ? 85 THR A N 1 -ATOM 1649 C CA . THR A 1 95 ? -34.204 15.158 -18.413 1.00 16.78 ? 85 THR A CA 1 -ATOM 1650 C C . THR A 1 95 ? -33.522 16.062 -17.385 1.00 18.12 ? 85 THR A C 1 -ATOM 1651 O O . THR A 1 95 ? -32.725 15.600 -16.557 1.00 17.78 ? 85 THR A O 1 -ATOM 1652 C CB . THR A 1 95 ? -35.608 14.811 -17.893 1.00 18.59 ? 85 THR A CB 1 -ATOM 1653 O OG1 . THR A 1 95 ? -35.473 14.240 -16.592 1.00 19.10 ? 85 THR A OG1 1 -ATOM 1654 C CG2 . THR A 1 95 ? -36.390 13.835 -18.775 1.00 20.46 ? 85 THR A CG2 1 -ATOM 1655 H H . THR A 1 95 ? -33.754 13.248 -18.307 1.00 20.53 ? 85 THR A H 1 -ATOM 1656 H HA . THR A 1 95 ? -34.288 15.630 -19.256 1.00 20.14 ? 85 THR A HA 1 -ATOM 1657 H HB . THR A 1 95 ? -36.126 15.631 -17.887 1.00 22.31 ? 85 THR A HB 1 -ATOM 1658 H HG1 . THR A 1 95 ? -35.815 14.750 -16.018 1.00 22.92 ? 85 THR A HG1 1 -ATOM 1659 H HG21 . THR A 1 95 ? -37.261 13.661 -18.385 1.00 24.55 ? 85 THR A HG21 1 -ATOM 1660 H HG22 . THR A 1 95 ? -36.511 14.212 -19.661 1.00 24.55 ? 85 THR A HG22 1 -ATOM 1661 H HG23 . THR A 1 95 ? -35.906 12.998 -18.853 1.00 24.55 ? 85 THR A HG23 1 -ATOM 1662 N N . PRO A 1 96 ? -33.929 17.326 -17.332 1.00 18.46 ? 86 PRO A N 1 -ATOM 1663 C CA . PRO A 1 96 ? -33.405 18.186 -16.265 1.00 19.91 ? 86 PRO A CA 1 -ATOM 1664 C C . PRO A 1 96 ? -33.725 17.657 -14.881 1.00 21.30 ? 86 PRO A C 1 -ATOM 1665 O O . PRO A 1 96 ? -32.847 17.719 -13.998 1.00 20.85 ? 86 PRO A O 1 -ATOM 1666 C CB . PRO A 1 96 ? -34.046 19.553 -16.558 1.00 22.04 ? 86 PRO A CB 1 -ATOM 1667 C CG . PRO A 1 96 ? -34.350 19.533 -18.042 1.00 23.86 ? 86 PRO A CG 1 -ATOM 1668 C CD . PRO A 1 96 ? -34.649 18.111 -18.372 1.00 21.99 ? 86 PRO A CD 1 -ATOM 1669 H HA . PRO A 1 96 ? -32.444 18.285 -16.350 1.00 23.89 ? 86 PRO A HA 1 -ATOM 1670 H HB2 . PRO A 1 96 ? -34.859 19.655 -16.039 1.00 26.45 ? 86 PRO A HB2 1 -ATOM 1671 H HB3 . PRO A 1 96 ? -33.422 20.263 -16.341 1.00 26.45 ? 86 PRO A HB3 1 -ATOM 1672 H HG2 . PRO A 1 96 ? -35.117 20.097 -18.227 1.00 28.63 ? 86 PRO A HG2 1 -ATOM 1673 H HG3 . PRO A 1 96 ? -33.579 19.847 -18.539 1.00 28.63 ? 86 PRO A HG3 1 -ATOM 1674 H HD2 . PRO A 1 96 ? -35.603 17.944 -18.325 1.00 26.39 ? 86 PRO A HD2 1 -ATOM 1675 H HD3 . PRO A 1 96 ? -34.317 17.890 -19.256 1.00 26.39 ? 86 PRO A HD3 1 -ATOM 1676 N N . GLU A 1 97 ? -34.913 17.095 -14.678 1.00 20.88 ? 87 GLU A N 1 -ATOM 1677 C CA . GLU A 1 97 ? -35.248 16.530 -13.376 1.00 23.25 ? 87 GLU A CA 1 -ATOM 1678 C C . GLU A 1 97 ? -34.320 15.384 -13.028 1.00 22.29 ? 87 GLU A C 1 -ATOM 1679 O O . GLU A 1 97 ? -33.896 15.249 -11.868 1.00 22.46 ? 87 GLU A O 1 -ATOM 1680 C CB . GLU A 1 97 ? -36.726 16.062 -13.378 1.00 24.95 ? 87 GLU A CB 1 -ATOM 1681 C CG . GLU A 1 97 ? -37.172 15.456 -12.039 1.00 28.58 ? 87 GLU A CG 1 -ATOM 1682 C CD . GLU A 1 97 ? -37.193 13.916 -11.941 1.00 45.22 ? 87 GLU A CD 1 -ATOM 1683 O OE1 . GLU A 1 97 ? -37.011 13.143 -12.932 1.00 28.91 ? 87 GLU A OE1 1 -ATOM 1684 O OE2 . GLU A 1 97 ? -37.407 13.448 -10.804 1.00 52.28 ? 87 GLU A OE2 1 -ATOM 1685 H H . GLU A 1 97 ? -35.535 17.029 -15.269 1.00 25.06 ? 87 GLU A H 1 -ATOM 1686 H HA . GLU A 1 97 ? -35.146 17.214 -12.696 1.00 27.90 ? 87 GLU A HA 1 -ATOM 1687 H HB2 . GLU A 1 97 ? -37.296 16.824 -13.565 1.00 29.94 ? 87 GLU A HB2 1 -ATOM 1688 H HB3 . GLU A 1 97 ? -36.839 15.385 -14.064 1.00 29.94 ? 87 GLU A HB3 1 -ATOM 1689 H HG2 . GLU A 1 97 ? -36.568 15.774 -11.349 1.00 34.30 ? 87 GLU A HG2 1 -ATOM 1690 H HG3 . GLU A 1 97 ? -38.074 15.762 -11.857 1.00 34.30 ? 87 GLU A HG3 1 -ATOM 1691 N N . GLU A 1 98 ? -34.071 14.482 -13.981 1.00 20.18 ? 88 GLU A N 1 -ATOM 1692 C CA . GLU A 1 98 ? -33.161 13.373 -13.714 1.00 19.89 ? 88 GLU A CA 1 -ATOM 1693 C C . GLU A 1 98 ? -31.803 13.903 -13.314 1.00 18.11 ? 88 GLU A C 1 -ATOM 1694 O O . GLU A 1 98 ? -31.186 13.405 -12.387 1.00 18.98 ? 88 GLU A O 1 -ATOM 1695 C CB . GLU A 1 98 ? -33.014 12.467 -14.946 1.00 19.19 ? 88 GLU A CB 1 -ATOM 1696 C CG . GLU A 1 98 ? -34.106 11.498 -15.150 1.00 21.43 ? 88 GLU A CG 1 -ATOM 1697 C CD . GLU A 1 98 ? -33.849 10.736 -16.427 1.00 24.23 ? 88 GLU A CD 1 -ATOM 1698 O OE1 . GLU A 1 98 ? -33.757 11.338 -17.533 1.00 22.30 ? 88 GLU A OE1 1 -ATOM 1699 O OE2 . GLU A 1 98 ? -33.855 9.489 -16.373 1.00 26.44 ? 88 GLU A OE2 1 -ATOM 1700 H H . GLU A 1 98 ? -34.409 14.491 -14.772 1.00 24.21 ? 88 GLU A H 1 -ATOM 1701 H HA . GLU A 1 98 ? -33.532 12.837 -12.996 1.00 23.87 ? 88 GLU A HA 1 -ATOM 1702 H HB2 . GLU A 1 98 ? -32.975 13.028 -15.736 1.00 23.03 ? 88 GLU A HB2 1 -ATOM 1703 H HB3 . GLU A 1 98 ? -32.192 11.961 -14.857 1.00 23.03 ? 88 GLU A HB3 1 -ATOM 1704 H HG2 . GLU A 1 98 ? -34.137 10.873 -14.409 1.00 25.72 ? 88 GLU A HG2 1 -ATOM 1705 H HG3 . GLU A 1 98 ? -34.953 11.965 -15.226 1.00 25.72 ? 88 GLU A HG3 1 -ATOM 1706 N N . ILE A 1 99 ? -31.310 14.899 -14.045 1.00 16.94 ? 89 ILE A N 1 -ATOM 1707 C CA . ILE A 1 99 ? -29.969 15.431 -13.787 1.00 17.09 ? 89 ILE A CA 1 -ATOM 1708 C C . ILE A 1 99 ? -29.890 16.103 -12.414 1.00 15.71 ? 89 ILE A C 1 -ATOM 1709 O O . ILE A 1 99 ? -28.961 15.853 -11.647 1.00 16.59 ? 89 ILE A O 1 -ATOM 1710 C CB . ILE A 1 99 ? -29.544 16.386 -14.905 1.00 15.41 ? 89 ILE A CB 1 -ATOM 1711 C CG1 . ILE A 1 99 ? -29.521 15.700 -16.272 1.00 15.57 ? 89 ILE A CG1 1 -ATOM 1712 C CG2 . ILE A 1 99 ? -28.183 17.005 -14.570 1.00 15.85 ? 89 ILE A CG2 1 -ATOM 1713 C CD1 . ILE A 1 99 ? -29.507 16.642 -17.451 1.00 15.94 ? 89 ILE A CD1 1 -ATOM 1714 H H . ILE A 1 99 ? -31.725 15.283 -14.692 1.00 20.33 ? 89 ILE A H 1 -ATOM 1715 H HA . ILE A 1 99 ? -29.353 14.682 -13.777 1.00 20.50 ? 89 ILE A HA 1 -ATOM 1716 H HB . ILE A 1 99 ? -30.208 17.091 -14.961 1.00 18.49 ? 89 ILE A HB 1 -ATOM 1717 H HG12 . ILE A 1 99 ? -28.724 15.151 -16.328 1.00 18.69 ? 89 ILE A HG12 1 -ATOM 1718 H HG13 . ILE A 1 99 ? -30.313 15.145 -16.352 1.00 18.69 ? 89 ILE A HG13 1 -ATOM 1719 H HG21 . ILE A 1 99 ? -27.815 17.411 -15.371 1.00 19.02 ? 89 ILE A HG21 1 -ATOM 1720 H HG22 . ILE A 1 99 ? -28.303 17.679 -13.883 1.00 19.02 ? 89 ILE A HG22 1 -ATOM 1721 H HG23 . ILE A 1 99 ? -27.590 16.308 -14.249 1.00 19.02 ? 89 ILE A HG23 1 -ATOM 1722 H HD11 . ILE A 1 99 ? -29.593 16.127 -18.268 1.00 19.13 ? 89 ILE A HD11 1 -ATOM 1723 H HD12 . ILE A 1 99 ? -30.250 17.260 -17.370 1.00 19.13 ? 89 ILE A HD12 1 -ATOM 1724 H HD13 . ILE A 1 99 ? -28.669 17.131 -17.454 1.00 19.13 ? 89 ILE A HD13 1 -ATOM 1725 N N . VAL A 1 100 ? -30.836 16.987 -12.131 1.00 16.79 ? 90 VAL A N 1 -ATOM 1726 C CA . VAL A 1 100 ? -30.813 17.704 -10.843 1.00 17.53 ? 90 VAL A CA 1 -ATOM 1727 C C . VAL A 1 100 ? -30.925 16.727 -9.695 1.00 17.23 ? 90 VAL A C 1 -ATOM 1728 O O . VAL A 1 100 ? -30.188 16.839 -8.684 1.00 17.20 ? 90 VAL A O 1 -ATOM 1729 C CB . VAL A 1 100 ? -31.910 18.774 -10.819 1.00 17.86 ? 90 VAL A CB 1 -ATOM 1730 C CG1 . VAL A 1 100 ? -32.101 19.362 -9.426 1.00 19.56 ? 90 VAL A CG1 1 -ATOM 1731 C CG2 . VAL A 1 100 ? -31.616 19.875 -11.823 1.00 20.33 ? 90 VAL A CG2 1 -ATOM 1732 H H . VAL A 1 100 ? -31.492 17.192 -12.648 1.00 20.15 ? 90 VAL A H 1 -ATOM 1733 H HA . VAL A 1 100 ? -29.962 18.159 -10.746 1.00 21.04 ? 90 VAL A HA 1 -ATOM 1734 H HB . VAL A 1 100 ? -32.743 18.343 -11.069 1.00 21.44 ? 90 VAL A HB 1 -ATOM 1735 H HG11 . VAL A 1 100 ? -32.625 20.175 -9.496 1.00 23.47 ? 90 VAL A HG11 1 -ATOM 1736 H HG12 . VAL A 1 100 ? -32.566 18.716 -8.872 1.00 23.47 ? 90 VAL A HG12 1 -ATOM 1737 H HG13 . VAL A 1 100 ? -31.232 19.560 -9.045 1.00 23.47 ? 90 VAL A HG13 1 -ATOM 1738 H HG21 . VAL A 1 100 ? -32.330 20.530 -11.790 1.00 24.39 ? 90 VAL A HG21 1 -ATOM 1739 H HG22 . VAL A 1 100 ? -30.772 20.293 -11.594 1.00 24.39 ? 90 VAL A HG22 1 -ATOM 1740 H HG23 . VAL A 1 100 ? -31.563 19.487 -12.710 1.00 24.39 ? 90 VAL A HG23 1 -ATOM 1741 N N . GLU A 1 101 ? -31.857 15.771 -9.782 1.00 17.42 ? 91 GLU A N 1 -ATOM 1742 C CA . GLU A 1 101 ? -32.002 14.834 -8.655 1.00 19.21 ? 91 GLU A CA 1 -ATOM 1743 C C . GLU A 1 101 ? -30.795 13.934 -8.482 1.00 18.69 ? 91 GLU A C 1 -ATOM 1744 O O . GLU A 1 101 ? -30.398 13.577 -7.360 1.00 19.18 ? 91 GLU A O 1 -ATOM 1745 C CB . GLU A 1 101 ? -33.324 14.059 -8.787 1.00 21.48 ? 91 GLU A CB 1 -ATOM 1746 C CG . GLU A 1 101 ? -34.532 14.953 -8.603 1.00 25.57 ? 91 GLU A CG 1 -ATOM 1747 C CD . GLU A 1 101 ? -34.430 15.831 -7.335 1.00 35.30 ? 91 GLU A CD 1 -ATOM 1748 O OE1 . GLU A 1 101 ? -34.153 15.286 -6.237 1.00 28.50 ? 91 GLU A OE1 1 -ATOM 1749 O OE2 . GLU A 1 101 ? -34.551 17.071 -7.472 1.00 34.90 ? 91 GLU A OE2 1 -ATOM 1750 H H . GLU A 1 101 ? -32.391 15.647 -10.445 1.00 20.90 ? 91 GLU A H 1 -ATOM 1751 H HA . GLU A 1 101 ? -32.060 15.337 -7.828 1.00 23.05 ? 91 GLU A HA 1 -ATOM 1752 H HB2 . GLU A 1 101 ? -33.373 13.662 -9.671 1.00 25.78 ? 91 GLU A HB2 1 -ATOM 1753 H HB3 . GLU A 1 101 ? -33.354 13.365 -8.110 1.00 25.78 ? 91 GLU A HB3 1 -ATOM 1754 H HG2 . GLU A 1 101 ? -34.612 15.540 -9.371 1.00 30.69 ? 91 GLU A HG2 1 -ATOM 1755 H HG3 . GLU A 1 101 ? -35.326 14.401 -8.524 1.00 30.69 ? 91 GLU A HG3 1 -ATOM 1756 N N . ARG A 1 102 ? -30.167 13.552 -9.581 1.00 17.85 ? 92 ARG A N 1 -ATOM 1757 C CA . ARG A 1 102 ? -28.951 12.768 -9.490 1.00 17.65 ? 92 ARG A CA 1 -ATOM 1758 C C . ARG A 1 102 ? -27.815 13.566 -8.894 1.00 16.65 ? 92 ARG A C 1 -ATOM 1759 O O . ARG A 1 102 ? -27.040 13.053 -8.062 1.00 17.54 ? 92 ARG A O 1 -ATOM 1760 C CB . ARG A 1 102 ? -28.602 12.215 -10.868 1.00 17.86 ? 92 ARG A CB 1 -ATOM 1761 C CG . ARG A 1 102 ? -27.485 11.262 -10.881 1.00 18.98 ? 92 ARG A CG 1 -ATOM 1762 C CD . ARG A 1 102 ? -27.745 9.949 -10.188 1.00 19.95 ? 92 ARG A CD 1 -ATOM 1763 N NE . ARG A 1 102 ? -26.622 9.087 -10.366 1.00 19.60 ? 92 ARG A NE 1 -ATOM 1764 C CZ . ARG A 1 102 ? -26.511 7.851 -9.915 1.00 19.20 ? 92 ARG A CZ 1 -ATOM 1765 N NH1 . ARG A 1 102 ? -27.499 7.247 -9.294 1.00 21.48 ? 92 ARG A NH1 1 -ATOM 1766 N NH2 . ARG A 1 102 ? -25.399 7.229 -10.235 1.00 21.52 ? 92 ARG A NH2 1 -ATOM 1767 H H . ARG A 1 102 ? -30.421 13.730 -10.383 1.00 21.42 ? 92 ARG A H 1 -ATOM 1768 H HA . ARG A 1 102 ? -29.097 12.014 -8.897 1.00 21.18 ? 92 ARG A HA 1 -ATOM 1769 H HB2 . ARG A 1 102 ? -29.380 11.757 -11.222 1.00 21.44 ? 92 ARG A HB2 1 -ATOM 1770 H HB3 . ARG A 1 102 ? -28.361 12.955 -11.446 1.00 21.44 ? 92 ARG A HB3 1 -ATOM 1771 H HG2 . ARG A 1 102 ? -27.264 11.062 -11.804 1.00 22.77 ? 92 ARG A HG2 1 -ATOM 1772 H HG3 . ARG A 1 102 ? -26.726 11.675 -10.440 1.00 22.77 ? 92 ARG A HG3 1 -ATOM 1773 H HD2 . ARG A 1 102 ? -27.878 10.099 -9.239 1.00 23.94 ? 92 ARG A HD2 1 -ATOM 1774 H HD3 . ARG A 1 102 ? -28.529 9.526 -10.571 1.00 23.94 ? 92 ARG A HD3 1 -ATOM 1775 H HE . ARG A 1 102 ? -25.955 9.401 -10.809 1.00 23.52 ? 92 ARG A HE 1 -ATOM 1776 H HH11 . ARG A 1 102 ? -28.245 7.658 -9.172 1.00 25.77 ? 92 ARG A HH11 1 -ATOM 1777 H HH12 . ARG A 1 102 ? -27.400 6.442 -9.010 1.00 25.77 ? 92 ARG A HH12 1 -ATOM 1778 H HH21 . ARG A 1 102 ? -24.804 7.629 -10.709 1.00 25.83 ? 92 ARG A HH21 1 -ATOM 1779 H HH22 . ARG A 1 102 ? -25.266 6.421 -9.971 1.00 25.83 ? 92 ARG A HH22 1 -ATOM 1780 N N . ALA A 1 103 ? -27.717 14.828 -9.251 1.00 15.86 ? 93 ALA A N 1 -ATOM 1781 C CA . ALA A 1 103 ? -26.745 15.715 -8.631 1.00 15.06 ? 93 ALA A CA 1 -ATOM 1782 C C . ALA A 1 103 ? -27.015 15.856 -7.142 1.00 16.83 ? 93 ALA A C 1 -ATOM 1783 O O . ALA A 1 103 ? -26.067 15.788 -6.347 1.00 16.40 ? 93 ALA A O 1 -ATOM 1784 C CB . ALA A 1 103 ? -26.761 17.090 -9.275 1.00 16.52 ? 93 ALA A CB 1 -ATOM 1785 H H . ALA A 1 103 ? -28.201 15.205 -9.854 1.00 19.03 ? 93 ALA A H 1 -ATOM 1786 H HA . ALA A 1 103 ? -25.865 15.331 -8.768 1.00 18.08 ? 93 ALA A HA 1 -ATOM 1787 H HB1 . ALA A 1 103 ? -26.107 17.654 -8.832 1.00 19.82 ? 93 ALA A HB1 1 -ATOM 1788 H HB2 . ALA A 1 103 ? -26.537 17.001 -10.215 1.00 19.82 ? 93 ALA A HB2 1 -ATOM 1789 H HB3 . ALA A 1 103 ? -27.647 17.473 -9.180 1.00 19.82 ? 93 ALA A HB3 1 -ATOM 1790 N N . ARG A 1 104 ? -28.281 16.010 -6.750 1.00 15.59 ? 94 ARG A N 1 -ATOM 1791 C CA . ARG A 1 104 ? -28.584 16.096 -5.321 1.00 17.86 ? 94 ARG A CA 1 -ATOM 1792 C C . ARG A 1 104 ? -28.084 14.869 -4.575 1.00 17.77 ? 94 ARG A C 1 -ATOM 1793 O O . ARG A 1 104 ? -27.555 14.987 -3.463 1.00 17.57 ? 94 ARG A O 1 -ATOM 1794 C CB . ARG A 1 104 ? -30.090 16.259 -5.188 1.00 18.79 ? 94 ARG A CB 1 -ATOM 1795 C CG . ARG A 1 104 ? -30.510 16.538 -3.763 1.00 19.86 ? 94 ARG A CG 1 -ATOM 1796 C CD . ARG A 1 104 ? -32.026 16.571 -3.558 1.00 23.56 ? 94 ARG A CD 1 -ATOM 1797 N NE . ARG A 1 104 ? -32.723 17.330 -4.563 1.00 24.05 ? 94 ARG A NE 1 -ATOM 1798 C CZ . ARG A 1 104 ? -32.682 18.656 -4.675 1.00 26.69 ? 94 ARG A CZ 1 -ATOM 1799 N NH1 . ARG A 1 104 ? -33.330 19.259 -5.671 1.00 27.31 ? 94 ARG A NH1 1 -ATOM 1800 N NH2 . ARG A 1 104 ? -32.066 19.406 -3.770 1.00 28.92 ? 94 ARG A NH2 1 -ATOM 1801 H H . ARG A 1 104 ? -28.960 16.067 -7.274 1.00 18.71 ? 94 ARG A H 1 -ATOM 1802 H HA . ARG A 1 104 ? -28.142 16.859 -4.917 1.00 21.43 ? 94 ARG A HA 1 -ATOM 1803 H HB2 . ARG A 1 104 ? -30.379 17.001 -5.741 1.00 22.55 ? 94 ARG A HB2 1 -ATOM 1804 H HB3 . ARG A 1 104 ? -30.525 15.441 -5.477 1.00 22.55 ? 94 ARG A HB3 1 -ATOM 1805 H HG2 . ARG A 1 104 ? -30.150 15.843 -3.190 1.00 23.83 ? 94 ARG A HG2 1 -ATOM 1806 H HG3 . ARG A 1 104 ? -30.158 17.402 -3.498 1.00 23.83 ? 94 ARG A HG3 1 -ATOM 1807 H HD2 . ARG A 1 104 ? -32.365 15.663 -3.583 1.00 28.27 ? 94 ARG A HD2 1 -ATOM 1808 H HD3 . ARG A 1 104 ? -32.217 16.974 -2.696 1.00 28.27 ? 94 ARG A HD3 1 -ATOM 1809 H HE . ARG A 1 104 ? -33.200 16.896 -5.132 1.00 28.86 ? 94 ARG A HE 1 -ATOM 1810 H HH11 . ARG A 1 104 ? -33.774 18.791 -6.240 1.00 32.78 ? 94 ARG A HH11 1 -ATOM 1811 H HH12 . ARG A 1 104 ? -33.305 20.115 -5.745 1.00 32.78 ? 94 ARG A HH12 1 -ATOM 1812 H HH21 . ARG A 1 104 ? -31.683 19.036 -3.095 1.00 34.71 ? 94 ARG A HH21 1 -ATOM 1813 H HH22 . ARG A 1 104 ? -32.050 20.261 -3.859 1.00 34.71 ? 94 ARG A HH22 1 -ATOM 1814 N N . LEU A 1 105 ? -28.234 13.679 -5.148 1.00 17.01 ? 95 LEU A N 1 -ATOM 1815 C CA . LEU A 1 105 ? -27.759 12.480 -4.495 1.00 17.43 ? 95 LEU A CA 1 -ATOM 1816 C C . LEU A 1 105 ? -26.245 12.478 -4.359 1.00 16.61 ? 95 LEU A C 1 -ATOM 1817 O O . LEU A 1 105 ? -25.715 12.113 -3.298 1.00 17.64 ? 95 LEU A O 1 -ATOM 1818 C CB . LEU A 1 105 ? -28.241 11.266 -5.281 1.00 19.54 ? 95 LEU A CB 1 -ATOM 1819 C CG . LEU A 1 105 ? -28.135 9.959 -4.545 1.00 22.21 ? 95 LEU A CG 1 -ATOM 1820 C CD1 . LEU A 1 105 ? -29.040 9.943 -3.295 1.00 24.47 ? 95 LEU A CD1 1 -ATOM 1821 C CD2 . LEU A 1 105 ? -28.571 8.894 -5.560 1.00 28.69 ? 95 LEU A CD2 1 -ATOM 1822 H H . LEU A 1 105 ? -28.606 13.545 -5.911 1.00 20.41 ? 95 LEU A H 1 -ATOM 1823 H HA . LEU A 1 105 ? -28.125 12.434 -3.598 1.00 20.92 ? 95 LEU A HA 1 -ATOM 1824 H HB2 . LEU A 1 105 ? -29.174 11.398 -5.510 1.00 23.45 ? 95 LEU A HB2 1 -ATOM 1825 H HB3 . LEU A 1 105 ? -27.709 11.191 -6.089 1.00 23.45 ? 95 LEU A HB3 1 -ATOM 1826 H HG . LEU A 1 105 ? -27.238 9.794 -4.216 1.00 26.65 ? 95 LEU A HG 1 -ATOM 1827 H HD11 . LEU A 1 105 ? -29.112 9.033 -2.969 1.00 29.37 ? 95 LEU A HD11 1 -ATOM 1828 H HD12 . LEU A 1 105 ? -28.646 10.509 -2.613 1.00 29.37 ? 95 LEU A HD12 1 -ATOM 1829 H HD13 . LEU A 1 105 ? -29.918 10.278 -3.536 1.00 29.37 ? 95 LEU A HD13 1 -ATOM 1830 H HD21 . LEU A 1 105 ? -28.552 8.023 -5.132 1.00 34.42 ? 95 LEU A HD21 1 -ATOM 1831 H HD22 . LEU A 1 105 ? -29.471 9.094 -5.862 1.00 34.42 ? 95 LEU A HD22 1 -ATOM 1832 H HD23 . LEU A 1 105 ? -27.960 8.905 -6.313 1.00 34.42 ? 95 LEU A HD23 1 -ATOM 1833 N N . ALA A 1 106 ? -25.521 12.917 -5.393 1.00 15.44 ? 96 ALA A N 1 -ATOM 1834 C CA . ALA A 1 106 ? -24.070 13.006 -5.255 1.00 16.00 ? 96 ALA A CA 1 -ATOM 1835 C C . ALA A 1 106 ? -23.652 13.971 -4.166 1.00 16.36 ? 96 ALA A C 1 -ATOM 1836 O O . ALA A 1 106 ? -22.719 13.688 -3.412 1.00 16.63 ? 96 ALA A O 1 -ATOM 1837 C CB . ALA A 1 106 ? -23.449 13.466 -6.588 1.00 14.84 ? 96 ALA A CB 1 -ATOM 1838 H H . ALA A 1 106 ? -25.836 13.160 -6.156 1.00 18.53 ? 96 ALA A H 1 -ATOM 1839 H HA . ALA A 1 106 ? -23.743 12.122 -5.024 1.00 19.21 ? 96 ALA A HA 1 -ATOM 1840 H HB1 . ALA A 1 106 ? -22.520 13.703 -6.439 1.00 17.81 ? 96 ALA A HB1 1 -ATOM 1841 H HB2 . ALA A 1 106 ? -23.506 12.742 -7.230 1.00 17.81 ? 96 ALA A HB2 1 -ATOM 1842 H HB3 . ALA A 1 106 ? -23.938 14.238 -6.915 1.00 17.81 ? 96 ALA A HB3 1 -ATOM 1843 N N . VAL A 1 107 ? -24.341 15.124 -4.074 1.00 16.46 ? 97 VAL A N 1 -ATOM 1844 C CA . VAL A 1 107 ? -24.052 16.077 -2.997 1.00 16.86 ? 97 VAL A CA 1 -ATOM 1845 C C . VAL A 1 107 ? -24.272 15.430 -1.641 1.00 18.03 ? 97 VAL A C 1 -ATOM 1846 O O . VAL A 1 107 ? -23.455 15.596 -0.741 1.00 18.63 ? 97 VAL A O 1 -ATOM 1847 C CB . VAL A 1 107 ? -24.883 17.332 -3.232 1.00 16.98 ? 97 VAL A CB 1 -ATOM 1848 C CG1 . VAL A 1 107 ? -24.796 18.309 -2.072 1.00 20.67 ? 97 VAL A CG1 1 -ATOM 1849 C CG2 . VAL A 1 107 ? -24.490 18.031 -4.520 1.00 18.41 ? 97 VAL A CG2 1 -ATOM 1850 H H . VAL A 1 107 ? -24.965 15.369 -4.613 1.00 19.75 ? 97 VAL A H 1 -ATOM 1851 H HA . VAL A 1 107 ? -23.118 16.338 -3.009 1.00 20.24 ? 97 VAL A HA 1 -ATOM 1852 H HB . VAL A 1 107 ? -25.804 17.040 -3.306 1.00 20.38 ? 97 VAL A HB 1 -ATOM 1853 H HG11 . VAL A 1 107 ? -25.220 19.143 -2.329 1.00 24.80 ? 97 VAL A HG11 1 -ATOM 1854 H HG12 . VAL A 1 107 ? -25.251 17.929 -1.304 1.00 24.80 ? 97 VAL A HG12 1 -ATOM 1855 H HG13 . VAL A 1 107 ? -23.862 18.465 -1.860 1.00 24.80 ? 97 VAL A HG13 1 -ATOM 1856 H HG21 . VAL A 1 107 ? -25.000 18.853 -4.602 1.00 22.09 ? 97 VAL A HG21 1 -ATOM 1857 H HG22 . VAL A 1 107 ? -23.541 18.232 -4.493 1.00 22.09 ? 97 VAL A HG22 1 -ATOM 1858 H HG23 . VAL A 1 107 ? -24.683 17.446 -5.269 1.00 22.09 ? 97 VAL A HG23 1 -ATOM 1859 N N . GLN A 1 108 ? -25.355 14.658 -1.505 1.00 18.27 ? 98 GLN A N 1 -ATOM 1860 C CA . GLN A 1 108 ? -25.642 13.987 -0.235 1.00 18.74 ? 98 GLN A CA 1 -ATOM 1861 C C . GLN A 1 108 ? -24.575 12.951 0.071 1.00 18.55 ? 98 GLN A C 1 -ATOM 1862 O O . GLN A 1 108 ? -24.306 12.694 1.253 1.00 20.90 ? 98 GLN A O 1 -ATOM 1863 C CB . GLN A 1 108 ? -27.027 13.400 -0.304 1.00 19.10 ? 98 GLN A CB 1 -ATOM 1864 C CG . GLN A 1 108 ? -28.065 14.512 -0.226 1.00 19.98 ? 98 GLN A CG 1 -ATOM 1865 C CD . GLN A 1 108 ? -29.493 14.093 -0.449 1.00 24.26 ? 98 GLN A CD 1 -ATOM 1866 O OE1 . GLN A 1 108 ? -29.771 12.970 -0.858 1.00 25.89 ? 98 GLN A OE1 1 -ATOM 1867 N NE2 . GLN A 1 108 ? -30.428 15.004 -0.171 1.00 23.13 ? 98 GLN A NE2 1 -ATOM 1868 H H . GLN A 1 108 ? -25.932 14.507 -2.125 1.00 21.93 ? 98 GLN A H 1 -ATOM 1869 H HA . GLN A 1 108 ? -25.634 14.616 0.504 1.00 22.48 ? 98 GLN A HA 1 -ATOM 1870 H HB2 . GLN A 1 108 ? -27.140 12.927 -1.143 1.00 22.93 ? 98 GLN A HB2 1 -ATOM 1871 H HB3 . GLN A 1 108 ? -27.163 12.793 0.440 1.00 22.93 ? 98 GLN A HB3 1 -ATOM 1872 H HG2 . GLN A 1 108 ? -28.018 14.910 0.657 1.00 23.98 ? 98 GLN A HG2 1 -ATOM 1873 H HG3 . GLN A 1 108 ? -27.852 15.175 -0.901 1.00 23.98 ? 98 GLN A HG3 1 -ATOM 1874 H HE21 . GLN A 1 108 ? -30.198 15.780 0.119 1.00 27.76 ? 98 GLN A HE21 1 -ATOM 1875 H HE22 . GLN A 1 108 ? -31.259 14.815 -0.281 1.00 27.76 ? 98 GLN A HE22 1 -ATOM 1876 N N . PHE A 1 109 ? -24.049 12.262 -0.922 1.00 19.14 ? 99 PHE A N 1 -ATOM 1877 C CA . PHE A 1 109 ? -22.950 11.330 -0.751 1.00 19.16 ? 99 PHE A CA 1 -ATOM 1878 C C . PHE A 1 109 ? -21.632 12.002 -0.480 1.00 20.68 ? 99 PHE A C 1 -ATOM 1879 O O . PHE A 1 109 ? -20.646 11.312 -0.205 1.00 23.33 ? 99 PHE A O 1 -ATOM 1880 C CB . PHE A 1 109 ? -22.811 10.436 -1.999 1.00 18.38 ? 99 PHE A CB 1 -ATOM 1881 C CG . PHE A 1 109 ? -23.651 9.193 -2.000 1.00 20.54 ? 99 PHE A CG 1 -ATOM 1882 C CD1 . PHE A 1 109 ? -24.975 9.224 -2.318 1.00 26.44 ? 99 PHE A CD1 1 -ATOM 1883 C CD2 . PHE A 1 109 ? -23.082 7.959 -1.744 1.00 25.82 ? 99 PHE A CD2 1 -ATOM 1884 C CE1 . PHE A 1 109 ? -25.751 8.051 -2.354 1.00 27.25 ? 99 PHE A CE1 1 -ATOM 1885 C CE2 . PHE A 1 109 ? -23.848 6.794 -1.781 1.00 29.92 ? 99 PHE A CE2 1 -ATOM 1886 C CZ . PHE A 1 109 ? -25.183 6.849 -2.083 1.00 23.96 ? 99 PHE A CZ 1 -ATOM 1887 H H . PHE A 1 109 ? -24.320 12.315 -1.737 1.00 22.97 ? 99 PHE A H 1 -ATOM 1888 H HA . PHE A 1 109 ? -23.157 10.766 0.010 1.00 23.00 ? 99 PHE A HA 1 -ATOM 1889 H HB2 . PHE A 1 109 ? -23.065 10.957 -2.777 1.00 22.05 ? 99 PHE A HB2 1 -ATOM 1890 H HB3 . PHE A 1 109 ? -21.884 10.158 -2.074 1.00 22.05 ? 99 PHE A HB3 1 -ATOM 1891 H HD1 . PHE A 1 109 ? -25.375 10.039 -2.517 1.00 31.73 ? 99 PHE A HD1 1 -ATOM 1892 H HD2 . PHE A 1 109 ? -22.175 7.904 -1.546 1.00 30.99 ? 99 PHE A HD2 1 -ATOM 1893 H HE1 . PHE A 1 109 ? -26.655 8.100 -2.564 1.00 32.69 ? 99 PHE A HE1 1 -ATOM 1894 H HE2 . PHE A 1 109 ? -23.450 5.974 -1.598 1.00 35.91 ? 99 PHE A HE2 1 -ATOM 1895 H HZ . PHE A 1 109 ? -25.694 6.072 -2.103 1.00 28.76 ? 99 PHE A HZ 1 -ATOM 1896 N N . GLY A 1 110 ? -21.568 13.337 -0.568 1.00 20.14 ? 100 GLY A N 1 -ATOM 1897 C CA . GLY A 1 110 ? -20.394 14.085 -0.178 1.00 20.48 ? 100 GLY A CA 1 -ATOM 1898 C C . GLY A 1 110 ? -19.597 14.761 -1.272 1.00 20.13 ? 100 GLY A C 1 -ATOM 1899 O O . GLY A 1 110 ? -18.539 15.328 -0.989 1.00 21.86 ? 100 GLY A O 1 -ATOM 1900 H H . GLY A 1 110 ? -22.210 13.830 -0.858 1.00 24.16 ? 100 GLY A H 1 -ATOM 1901 H HA2 . GLY A 1 110 ? -20.673 14.779 0.440 1.00 24.58 ? 100 GLY A HA2 1 -ATOM 1902 H HA3 . GLY A 1 110 ? -19.791 13.478 0.280 1.00 24.58 ? 100 GLY A HA3 1 -ATOM 1903 N N . ALA A 1 111 ? -20.005 14.675 -2.560 1.00 19.63 ? 101 ALA A N 1 -ATOM 1904 C CA . ALA A 1 111 ? -19.303 15.392 -3.622 1.00 18.21 ? 101 ALA A CA 1 -ATOM 1905 C C . ALA A 1 111 ? -19.462 16.889 -3.410 1.00 16.30 ? 101 ALA A C 1 -ATOM 1906 O O . ALA A 1 111 ? -20.561 17.382 -3.225 1.00 19.70 ? 101 ALA A O 1 -ATOM 1907 C CB . ALA A 1 111 ? -19.892 15.002 -4.973 1.00 21.16 ? 101 ALA A CB 1 -ATOM 1908 H H . ALA A 1 111 ? -20.678 14.212 -2.829 1.00 23.55 ? 101 ALA A H 1 -ATOM 1909 H HA . ALA A 1 111 ? -18.359 15.167 -3.613 1.00 21.85 ? 101 ALA A HA 1 -ATOM 1910 H HB1 . ALA A 1 111 ? -19.428 15.487 -5.673 1.00 25.40 ? 101 ALA A HB1 1 -ATOM 1911 H HB2 . ALA A 1 111 ? -19.780 14.047 -5.103 1.00 25.40 ? 101 ALA A HB2 1 -ATOM 1912 H HB3 . ALA A 1 111 ? -20.835 15.228 -4.984 1.00 25.40 ? 101 ALA A HB3 1 -ATOM 1913 N N . LYS A 1 112 ? -18.339 17.596 -3.546 1.00 15.96 ? 102 LYS A N 1 -ATOM 1914 C CA . LYS A 1 112 ? -18.362 19.051 -3.390 1.00 16.22 ? 102 LYS A CA 1 -ATOM 1915 C C . LYS A 1 112 ? -18.310 19.818 -4.695 1.00 14.89 ? 102 LYS A C 1 -ATOM 1916 O O . LYS A 1 112 ? -18.438 21.064 -4.682 1.00 15.68 ? 102 LYS A O 1 -ATOM 1917 C CB . LYS A 1 112 ? -17.237 19.490 -2.461 1.00 17.91 ? 102 LYS A CB 1 -ATOM 1918 C CG . LYS A 1 112 ? -17.488 18.882 -1.023 1.00 22.19 ? 102 LYS A CG 1 -ATOM 1919 C CD . LYS A 1 112 ? -16.602 19.533 0.016 1.00 29.85 ? 102 LYS A CD 1 -ATOM 1920 C CE . LYS A 1 112 ? -17.034 19.130 1.469 1.00 36.89 ? 102 LYS A CE 1 -ATOM 1921 N NZ . LYS A 1 112 ? -17.071 17.667 1.653 1.00 87.05 ? 102 LYS A NZ 1 -ATOM 1922 H H . LYS A 1 112 ? -17.567 17.262 -3.725 1.00 19.15 ? 102 LYS A H 1 -ATOM 1923 H HA . LYS A 1 112 ? -19.200 19.304 -2.971 1.00 19.46 ? 102 LYS A HA 1 -ATOM 1924 H HB2 . LYS A 1 112 ? -16.387 19.165 -2.797 1.00 21.49 ? 102 LYS A HB2 1 -ATOM 1925 H HB3 . LYS A 1 112 ? -17.221 20.457 -2.396 1.00 21.49 ? 102 LYS A HB3 1 -ATOM 1926 H HG2 . LYS A 1 112 ? -18.412 19.028 -0.769 1.00 26.63 ? 102 LYS A HG2 1 -ATOM 1927 H HG3 . LYS A 1 112 ? -17.293 17.932 -1.037 1.00 26.63 ? 102 LYS A HG3 1 -ATOM 1928 H HD2 . LYS A 1 112 ? -15.684 19.249 -0.120 1.00 35.81 ? 102 LYS A HD2 1 -ATOM 1929 H HD3 . LYS A 1 112 ? -16.665 20.498 -0.066 1.00 35.81 ? 102 LYS A HD3 1 -ATOM 1930 H HE2 . LYS A 1 112 ? -16.401 19.499 2.104 1.00 44.27 ? 102 LYS A HE2 1 -ATOM 1931 H HE3 . LYS A 1 112 ? -17.922 19.479 1.645 1.00 44.27 ? 102 LYS A HE3 1 -ATOM 1932 H HZ1 . LYS A 1 112 ? -17.643 17.301 1.078 1.00 104.47 ? 102 LYS A HZ1 1 -ATOM 1933 H HZ2 . LYS A 1 112 ? -16.262 17.322 1.515 1.00 104.47 ? 102 LYS A HZ2 1 -ATOM 1934 H HZ3 . LYS A 1 112 ? -17.330 17.471 2.482 1.00 104.47 ? 102 LYS A HZ3 1 -ATOM 1935 N N . THR A 1 113 ? -18.147 19.102 -5.800 1.00 13.98 ? 103 THR A N 1 -ATOM 1936 C CA . THR A 1 113 ? -18.277 19.636 -7.141 1.00 13.19 ? 103 THR A CA 1 -ATOM 1937 C C . THR A 1 113 ? -19.093 18.639 -7.935 1.00 12.81 ? 103 THR A C 1 -ATOM 1938 O O . THR A 1 113 ? -18.889 17.436 -7.841 1.00 13.78 ? 103 THR A O 1 -ATOM 1939 C CB . THR A 1 113 ? -16.914 19.774 -7.834 1.00 13.09 ? 103 THR A CB 1 -ATOM 1940 O OG1 . THR A 1 113 ? -16.083 20.701 -7.143 1.00 14.76 ? 103 THR A OG1 1 -ATOM 1941 C CG2 . THR A 1 113 ? -17.037 20.292 -9.259 1.00 14.76 ? 103 THR A CG2 1 -ATOM 1942 H H . THR A 1 113 ? -17.953 18.264 -5.795 1.00 16.77 ? 103 THR A H 1 -ATOM 1943 H HA . THR A 1 113 ? -18.704 20.507 -7.112 1.00 15.82 ? 103 THR A HA 1 -ATOM 1944 H HB . THR A 1 113 ? -16.522 18.887 -7.841 1.00 15.71 ? 103 THR A HB 1 -ATOM 1945 H HG1 . THR A 1 113 ? -15.928 20.424 -6.365 1.00 17.72 ? 103 THR A HG1 1 -ATOM 1946 H HG21 . THR A 1 113 ? -16.162 20.532 -9.601 1.00 17.71 ? 103 THR A HG21 1 -ATOM 1947 H HG22 . THR A 1 113 ? -17.422 19.607 -9.829 1.00 17.71 ? 103 THR A HG22 1 -ATOM 1948 H HG23 . THR A 1 113 ? -17.609 21.075 -9.279 1.00 17.71 ? 103 THR A HG23 1 -ATOM 1949 N N . ILE A 1 114 ? -20.011 19.156 -8.745 1.00 13.08 ? 104 ILE A N 1 -ATOM 1950 C CA . ILE A 1 114 ? -20.727 18.394 -9.758 1.00 13.61 ? 104 ILE A CA 1 -ATOM 1951 C C . ILE A 1 114 ? -20.203 18.828 -11.121 1.00 12.80 ? 104 ILE A C 1 -ATOM 1952 O O . ILE A 1 114 ? -20.152 20.037 -11.415 1.00 13.46 ? 104 ILE A O 1 -ATOM 1953 C CB . ILE A 1 114 ? -22.234 18.629 -9.687 1.00 14.20 ? 104 ILE A CB 1 -ATOM 1954 C CG1 . ILE A 1 114 ? -22.779 18.297 -8.312 1.00 16.81 ? 104 ILE A CG1 1 -ATOM 1955 C CG2 . ILE A 1 114 ? -22.953 17.853 -10.797 1.00 15.44 ? 104 ILE A CG2 1 -ATOM 1956 C CD1 . ILE A 1 114 ? -22.628 16.865 -7.898 1.00 15.82 ? 104 ILE A CD1 1 -ATOM 1957 H H . ILE A 1 114 ? -20.245 19.983 -8.724 1.00 15.70 ? 104 ILE A H 1 -ATOM 1958 H HA . ILE A 1 114 ? -20.552 17.449 -9.624 1.00 16.33 ? 104 ILE A HA 1 -ATOM 1959 H HB . ILE A 1 114 ? -22.402 19.573 -9.832 1.00 17.04 ? 104 ILE A HB 1 -ATOM 1960 H HG12 . ILE A 1 114 ? -22.312 18.839 -7.658 1.00 20.17 ? 104 ILE A HG12 1 -ATOM 1961 H HG13 . ILE A 1 114 ? -23.727 18.505 -8.299 1.00 20.17 ? 104 ILE A HG13 1 -ATOM 1962 H HG21 . ILE A 1 114 ? -23.906 17.849 -10.614 1.00 18.53 ? 104 ILE A HG21 1 -ATOM 1963 H HG22 . ILE A 1 114 ? -22.782 18.288 -11.648 1.00 18.53 ? 104 ILE A HG22 1 -ATOM 1964 H HG23 . ILE A 1 114 ? -22.616 16.944 -10.817 1.00 18.53 ? 104 ILE A HG23 1 -ATOM 1965 H HD11 . ILE A 1 114 ? -23.050 16.740 -7.034 1.00 18.98 ? 104 ILE A HD11 1 -ATOM 1966 H HD12 . ILE A 1 114 ? -23.056 16.299 -8.560 1.00 18.98 ? 104 ILE A HD12 1 -ATOM 1967 H HD13 . ILE A 1 114 ? -21.684 16.651 -7.840 1.00 18.98 ? 104 ILE A HD13 1 -ATOM 1968 N N . VAL A 1 115 ? -19.837 17.852 -11.934 1.00 12.77 ? 105 VAL A N 1 -ATOM 1969 C CA . VAL A 1 115 ? -19.363 18.063 -13.323 1.00 12.82 ? 105 VAL A CA 1 -ATOM 1970 C C . VAL A 1 115 ? -20.460 17.593 -14.247 1.00 13.05 ? 105 VAL A C 1 -ATOM 1971 O O . VAL A 1 115 ? -20.880 16.447 -14.172 1.00 14.67 ? 105 VAL A O 1 -ATOM 1972 C CB . VAL A 1 115 ? -18.090 17.272 -13.601 1.00 11.95 ? 105 VAL A CB 1 -ATOM 1973 C CG1 . VAL A 1 115 ? -17.596 17.570 -15.017 1.00 14.34 ? 105 VAL A CG1 1 -ATOM 1974 C CG2 . VAL A 1 115 ? -16.990 17.586 -12.616 1.00 14.13 ? 105 VAL A CG2 1 -ATOM 1975 H H . VAL A 1 115 ? -19.848 17.022 -11.709 1.00 15.32 ? 105 VAL A H 1 -ATOM 1976 H HA . VAL A 1 115 ? -19.194 19.007 -13.467 1.00 15.38 ? 105 VAL A HA 1 -ATOM 1977 H HB . VAL A 1 115 ? -18.304 16.331 -13.509 1.00 14.34 ? 105 VAL A HB 1 -ATOM 1978 H HG11 . VAL A 1 115 ? -16.705 17.202 -15.125 1.00 17.21 ? 105 VAL A HG11 1 -ATOM 1979 H HG12 . VAL A 1 115 ? -18.202 17.161 -15.655 1.00 17.21 ? 105 VAL A HG12 1 -ATOM 1980 H HG13 . VAL A 1 115 ? -17.576 18.530 -15.149 1.00 17.21 ? 105 VAL A HG13 1 -ATOM 1981 H HG21 . VAL A 1 115 ? -16.265 16.955 -12.741 1.00 16.95 ? 105 VAL A HG21 1 -ATOM 1982 H HG22 . VAL A 1 115 ? -16.674 18.489 -12.774 1.00 16.95 ? 105 VAL A HG22 1 -ATOM 1983 H HG23 . VAL A 1 115 ? -17.342 17.511 -11.715 1.00 16.95 ? 105 VAL A HG23 1 -ATOM 1984 N N . LEU A 1 116 ? -20.960 18.492 -15.086 1.00 12.48 ? 106 LEU A N 1 -ATOM 1985 C CA . LEU A 1 116 ? -21.943 18.126 -16.114 1.00 12.64 ? 106 LEU A CA 1 -ATOM 1986 C C . LEU A 1 116 ? -21.177 18.025 -17.439 1.00 12.87 ? 106 LEU A C 1 -ATOM 1987 O O . LEU A 1 116 ? -20.604 19.026 -17.876 1.00 13.06 ? 106 LEU A O 1 -ATOM 1988 C CB . LEU A 1 116 ? -23.036 19.159 -16.206 1.00 13.39 ? 106 LEU A CB 1 -ATOM 1989 C CG . LEU A 1 116 ? -23.807 19.411 -14.887 1.00 14.35 ? 106 LEU A CG 1 -ATOM 1990 C CD1 . LEU A 1 116 ? -24.824 20.505 -15.138 1.00 17.73 ? 106 LEU A CD1 1 -ATOM 1991 C CD2 . LEU A 1 116 ? -24.475 18.144 -14.418 1.00 16.07 ? 106 LEU A CD2 1 -ATOM 1992 H H . LEU A 1 116 ? -20.748 19.325 -15.083 1.00 14.98 ? 106 LEU A H 1 -ATOM 1993 H HA . LEU A 1 116 ? -22.364 17.276 -15.908 1.00 15.17 ? 106 LEU A HA 1 -ATOM 1994 H HB2 . LEU A 1 116 ? -22.639 20.001 -16.478 1.00 16.06 ? 106 LEU A HB2 1 -ATOM 1995 H HB3 . LEU A 1 116 ? -23.680 18.866 -16.869 1.00 16.06 ? 106 LEU A HB3 1 -ATOM 1996 H HG . LEU A 1 116 ? -23.203 19.689 -14.181 1.00 17.22 ? 106 LEU A HG 1 -ATOM 1997 H HD11 . LEU A 1 116 ? -25.312 20.677 -14.318 1.00 21.28 ? 106 LEU A HD11 1 -ATOM 1998 H HD12 . LEU A 1 116 ? -24.360 21.309 -15.421 1.00 21.28 ? 106 LEU A HD12 1 -ATOM 1999 H HD13 . LEU A 1 116 ? -25.436 20.214 -15.832 1.00 21.28 ? 106 LEU A HD13 1 -ATOM 2000 H HD21 . LEU A 1 116 ? -25.064 18.354 -13.676 1.00 19.28 ? 106 LEU A HD21 1 -ATOM 2001 H HD22 . LEU A 1 116 ? -24.987 17.767 -15.150 1.00 19.28 ? 106 LEU A HD22 1 -ATOM 2002 H HD23 . LEU A 1 116 ? -23.794 17.515 -14.132 1.00 19.28 ? 106 LEU A HD23 1 -ATOM 2003 N N . GLN A 1 117 ? -21.102 16.839 -17.999 1.00 12.20 ? 107 GLN A N 1 -ATOM 2004 C CA . GLN A 1 117 ? -20.397 16.613 -19.265 1.00 12.65 ? 107 GLN A CA 1 -ATOM 2005 C C . GLN A 1 117 ? -21.364 15.971 -20.235 1.00 12.44 ? 107 GLN A C 1 -ATOM 2006 O O . GLN A 1 117 ? -22.228 15.173 -19.866 1.00 13.26 ? 107 GLN A O 1 -ATOM 2007 C CB . GLN A 1 117 ? -19.168 15.733 -19.052 1.00 12.51 ? 107 GLN A CB 1 -ATOM 2008 C CG . GLN A 1 117 ? -18.257 15.708 -20.301 1.00 13.33 ? 107 GLN A CG 1 -ATOM 2009 C CD . GLN A 1 117 ? -17.039 14.862 -20.122 1.00 14.70 ? 107 GLN A CD 1 -ATOM 2010 O OE1 . GLN A 1 117 ? -17.104 13.634 -20.291 1.00 16.38 ? 107 GLN A OE1 1 -ATOM 2011 N NE2 . GLN A 1 117 ? -15.912 15.477 -19.813 1.00 13.98 ? 107 GLN A NE2 1 -ATOM 2012 H H . GLN A 1 117 ? -21.454 16.129 -17.668 1.00 14.64 ? 107 GLN A H 1 -ATOM 2013 H HA . GLN A 1 117 ? -20.087 17.448 -19.649 1.00 15.17 ? 107 GLN A HA 1 -ATOM 2014 H HB2 . GLN A 1 117 ? -18.653 16.078 -18.306 1.00 15.01 ? 107 GLN A HB2 1 -ATOM 2015 H HB3 . GLN A 1 117 ? -19.454 14.825 -18.866 1.00 15.01 ? 107 GLN A HB3 1 -ATOM 2016 H HG2 . GLN A 1 117 ? -18.759 15.353 -21.051 1.00 16.00 ? 107 GLN A HG2 1 -ATOM 2017 H HG3 . GLN A 1 117 ? -17.965 16.613 -20.496 1.00 16.00 ? 107 GLN A HG3 1 -ATOM 2018 H HE21 . GLN A 1 117 ? -15.899 16.332 -19.722 1.00 16.78 ? 107 GLN A HE21 1 -ATOM 2019 H HE22 . GLN A 1 117 ? -15.190 15.022 -19.702 1.00 16.78 ? 107 GLN A HE22 1 -ATOM 2020 N N . SER A 1 118 ? -21.204 16.320 -21.519 1.00 12.68 ? 108 SER A N 1 -ATOM 2021 C CA . SER A 1 118 ? -22.047 15.737 -22.550 1.00 13.60 ? 108 SER A CA 1 -ATOM 2022 C C . SER A 1 118 ? -21.337 15.803 -23.891 1.00 13.37 ? 108 SER A C 1 -ATOM 2023 O O . SER A 1 118 ? -20.369 16.531 -24.091 1.00 13.40 ? 108 SER A O 1 -ATOM 2024 C CB . SER A 1 118 ? -23.370 16.482 -22.639 1.00 13.97 ? 108 SER A CB 1 -ATOM 2025 O OG . SER A 1 118 ? -23.208 17.819 -22.981 1.00 14.77 ? 108 SER A OG 1 -ATOM 2026 H H . SER A 1 118 ? -20.621 16.883 -21.805 1.00 15.22 ? 108 SER A H 1 -ATOM 2027 H HA . SER A 1 118 ? -22.199 14.804 -22.332 1.00 16.32 ? 108 SER A HA 1 -ATOM 2028 H HB2 . SER A 1 118 ? -23.920 16.055 -23.314 1.00 16.76 ? 108 SER A HB2 1 -ATOM 2029 H HB3 . SER A 1 118 ? -23.809 16.435 -21.775 1.00 16.76 ? 108 SER A HB3 1 -ATOM 2030 H HG . SER A 1 118 ? -22.918 17.881 -23.767 1.00 17.73 ? 108 SER A HG 1 -ATOM 2031 N N . GLY A 1 119 ? -21.914 15.086 -24.847 1.00 13.33 ? 109 GLY A N 1 -ATOM 2032 C CA . GLY A 1 119 ? -21.678 15.434 -26.241 1.00 13.09 ? 109 GLY A CA 1 -ATOM 2033 C C . GLY A 1 119 ? -22.160 16.839 -26.514 1.00 14.04 ? 109 GLY A C 1 -ATOM 2034 O O . GLY A 1 119 ? -22.906 17.449 -25.740 1.00 13.31 ? 109 GLY A O 1 -ATOM 2035 H H . GLY A 1 119 ? -22.432 14.412 -24.719 1.00 16.00 ? 109 GLY A H 1 -ATOM 2036 H HA2 . GLY A 1 119 ? -20.729 15.383 -26.438 1.00 15.71 ? 109 GLY A HA2 1 -ATOM 2037 H HA3 . GLY A 1 119 ? -22.154 14.819 -26.820 1.00 15.71 ? 109 GLY A HA3 1 -ATOM 2038 N N . GLU A 1 120 ? -21.776 17.392 -27.660 1.00 13.75 ? 110 GLU A N 1 -ATOM 2039 C CA . GLU A 1 120 ? -22.276 18.693 -28.063 1.00 13.45 ? 110 GLU A CA 1 -ATOM 2040 C C . GLU A 1 120 ? -23.704 18.503 -28.568 1.00 14.77 ? 110 GLU A C 1 -ATOM 2041 O O . GLU A 1 120 ? -23.951 18.304 -29.770 1.00 15.41 ? 110 GLU A O 1 -ATOM 2042 C CB . GLU A 1 120 ? -21.378 19.309 -29.125 1.00 14.23 ? 110 GLU A CB 1 -ATOM 2043 C CG . GLU A 1 120 ? -20.036 19.747 -28.621 1.00 14.93 ? 110 GLU A CG 1 -ATOM 2044 C CD . GLU A 1 120 ? -19.290 20.711 -29.550 1.00 14.55 ? 110 GLU A CD 1 -ATOM 2045 O OE1 . GLU A 1 120 ? -19.896 21.129 -30.565 1.00 15.56 ? 110 GLU A OE1 1 -ATOM 2046 O OE2 . GLU A 1 120 ? -18.130 21.000 -29.247 1.00 15.58 ? 110 GLU A OE2 1 -ATOM 2047 H H . GLU A 1 120 ? -21.228 17.031 -28.217 1.00 16.50 ? 110 GLU A H 1 -ATOM 2048 H HA . GLU A 1 120 ? -22.292 19.291 -27.300 1.00 16.14 ? 110 GLU A HA 1 -ATOM 2049 H HB2 . GLU A 1 120 ? -21.230 18.653 -29.823 1.00 17.07 ? 110 GLU A HB2 1 -ATOM 2050 H HB3 . GLU A 1 120 ? -21.823 20.089 -29.491 1.00 17.07 ? 110 GLU A HB3 1 -ATOM 2051 H HG2 . GLU A 1 120 ? -20.157 20.196 -27.770 1.00 17.91 ? 110 GLU A HG2 1 -ATOM 2052 H HG3 . GLU A 1 120 ? -19.478 18.962 -28.505 1.00 17.91 ? 110 GLU A HG3 1 -ATOM 2053 N N . ASP A 1 121 ? -24.663 18.573 -27.633 1.00 14.65 ? 111 ASP A N 1 -ATOM 2054 C CA . ASP A 1 121 ? -26.062 18.225 -27.874 1.00 14.74 ? 111 ASP A CA 1 -ATOM 2055 C C . ASP A 1 121 ? -26.884 19.505 -27.890 1.00 16.49 ? 111 ASP A C 1 -ATOM 2056 O O . ASP A 1 121 ? -27.129 20.115 -26.845 1.00 15.77 ? 111 ASP A O 1 -ATOM 2057 C CB . ASP A 1 121 ? -26.570 17.284 -26.799 1.00 14.79 ? 111 ASP A CB 1 -ATOM 2058 C CG . ASP A 1 121 ? -28.012 16.911 -27.000 1.00 16.53 ? 111 ASP A CG 1 -ATOM 2059 O OD1 . ASP A 1 121 ? -28.700 17.493 -27.889 1.00 16.22 ? 111 ASP A OD1 1 -ATOM 2060 O OD2 . ASP A 1 121 ? -28.508 16.039 -26.280 1.00 15.68 ? 111 ASP A OD2 1 -ATOM 2061 H H . ASP A 1 121 ? -24.518 18.830 -26.825 1.00 17.58 ? 111 ASP A H 1 -ATOM 2062 H HA . ASP A 1 121 ? -26.147 17.780 -28.732 1.00 17.69 ? 111 ASP A HA 1 -ATOM 2063 H HB2 . ASP A 1 121 ? -26.043 16.470 -26.815 1.00 17.75 ? 111 ASP A HB2 1 -ATOM 2064 H HB3 . ASP A 1 121 ? -26.488 17.717 -25.935 1.00 17.75 ? 111 ASP A HB3 1 -ATOM 2065 N N . PRO A 1 122 ? -27.289 19.994 -29.082 1.00 15.75 ? 112 PRO A N 1 -ATOM 2066 C CA . PRO A 1 122 ? -27.978 21.275 -29.163 1.00 16.31 ? 112 PRO A CA 1 -ATOM 2067 C C . PRO A 1 122 ? -29.253 21.354 -28.382 1.00 17.19 ? 112 PRO A C 1 -ATOM 2068 O O . PRO A 1 122 ? -29.760 22.443 -28.114 1.00 17.55 ? 112 PRO A O 1 -ATOM 2069 C CB . PRO A 1 122 ? -28.195 21.427 -30.685 1.00 17.38 ? 112 PRO A CB 1 -ATOM 2070 C CG . PRO A 1 122 ? -27.151 20.599 -31.305 1.00 21.55 ? 112 PRO A CG 1 -ATOM 2071 C CD . PRO A 1 122 ? -27.012 19.401 -30.409 1.00 16.84 ? 112 PRO A CD 1 -ATOM 2072 H HA . PRO A 1 122 ? -27.405 21.990 -28.846 1.00 19.57 ? 112 PRO A HA 1 -ATOM 2073 H HB2 . PRO A 1 122 ? -29.079 21.107 -30.926 1.00 20.85 ? 112 PRO A HB2 1 -ATOM 2074 H HB3 . PRO A 1 122 ? -28.098 22.357 -30.941 1.00 20.85 ? 112 PRO A HB3 1 -ATOM 2075 H HG2 . PRO A 1 122 ? -27.426 20.334 -32.196 1.00 25.86 ? 112 PRO A HG2 1 -ATOM 2076 H HG3 . PRO A 1 122 ? -26.319 21.096 -31.348 1.00 25.86 ? 112 PRO A HG3 1 -ATOM 2077 H HD2 . PRO A 1 122 ? -27.662 18.717 -30.632 1.00 20.21 ? 112 PRO A HD2 1 -ATOM 2078 H HD3 . PRO A 1 122 ? -26.115 19.033 -30.450 1.00 20.21 ? 112 PRO A HD3 1 -ATOM 2079 N N . TYR A 1 123 ? -29.880 20.231 -28.015 1.00 16.21 ? 113 TYR A N 1 -ATOM 2080 C CA . TYR A 1 123 ? -31.145 20.297 -27.293 1.00 17.36 ? 113 TYR A CA 1 -ATOM 2081 C C . TYR A 1 123 ? -31.087 21.237 -26.093 1.00 16.04 ? 113 TYR A C 1 -ATOM 2082 O O . TYR A 1 123 ? -32.039 21.942 -25.785 1.00 17.76 ? 113 TYR A O 1 -ATOM 2083 C CB . TYR A 1 123 ? -31.607 18.903 -26.806 1.00 16.93 ? 113 TYR A CB 1 -ATOM 2084 C CG . TYR A 1 123 ? -32.848 18.983 -25.987 1.00 17.71 ? 113 TYR A CG 1 -ATOM 2085 C CD1 . TYR A 1 123 ? -34.102 19.036 -26.579 1.00 20.26 ? 113 TYR A CD1 1 -ATOM 2086 C CD2 . TYR A 1 123 ? -32.763 19.093 -24.604 1.00 17.93 ? 113 TYR A CD2 1 -ATOM 2087 C CE1 . TYR A 1 123 ? -35.236 19.162 -25.809 1.00 23.02 ? 113 TYR A CE1 1 -ATOM 2088 C CE2 . TYR A 1 123 ? -33.893 19.213 -23.844 1.00 20.55 ? 113 TYR A CE2 1 -ATOM 2089 C CZ . TYR A 1 123 ? -35.095 19.260 -24.455 1.00 20.76 ? 113 TYR A CZ 1 -ATOM 2090 O OH . TYR A 1 123 ? -36.265 19.397 -23.744 1.00 25.67 ? 113 TYR A OH 1 -ATOM 2091 H H . TYR A 1 123 ? -29.595 19.435 -28.169 1.00 19.46 ? 113 TYR A H 1 -ATOM 2092 H HA . TYR A 1 123 ? -31.796 20.632 -27.930 1.00 20.84 ? 113 TYR A HA 1 -ATOM 2093 H HB2 . TYR A 1 123 ? -31.786 18.340 -27.574 1.00 20.32 ? 113 TYR A HB2 1 -ATOM 2094 H HB3 . TYR A 1 123 ? -30.908 18.509 -26.261 1.00 20.32 ? 113 TYR A HB3 1 -ATOM 2095 H HD1 . TYR A 1 123 ? -34.177 18.987 -27.505 1.00 24.31 ? 113 TYR A HD1 1 -ATOM 2096 H HD2 . TYR A 1 123 ? -31.929 19.085 -24.191 1.00 21.51 ? 113 TYR A HD2 1 -ATOM 2097 H HE1 . TYR A 1 123 ? -36.079 19.179 -26.202 1.00 27.63 ? 113 TYR A HE1 1 -ATOM 2098 H HE2 . TYR A 1 123 ? -33.834 19.262 -22.918 1.00 24.66 ? 113 TYR A HE2 1 -ATOM 2099 H HH . TYR A 1 123 ? -36.095 19.487 -22.926 1.00 30.81 ? 113 TYR A HH 1 -ATOM 2100 N N . TYR A 1 124 ? -29.988 21.172 -25.344 1.00 15.72 ? 114 TYR A N 1 -ATOM 2101 C CA . TYR A 1 124 ? -29.925 21.795 -24.024 1.00 16.29 ? 114 TYR A CA 1 -ATOM 2102 C C . TYR A 1 124 ? -29.482 23.237 -24.064 1.00 17.53 ? 114 TYR A C 1 -ATOM 2103 O O . TYR A 1 124 ? -29.503 23.936 -23.035 1.00 17.82 ? 114 TYR A O 1 -ATOM 2104 C CB . TYR A 1 124 ? -28.936 21.021 -23.113 1.00 15.61 ? 114 TYR A CB 1 -ATOM 2105 C CG . TYR A 1 124 ? -29.356 19.614 -22.806 1.00 14.30 ? 114 TYR A CG 1 -ATOM 2106 C CD1 . TYR A 1 124 ? -29.015 18.567 -23.624 1.00 15.43 ? 114 TYR A CD1 1 -ATOM 2107 C CD2 . TYR A 1 124 ? -30.017 19.315 -21.624 1.00 16.05 ? 114 TYR A CD2 1 -ATOM 2108 C CE1 . TYR A 1 124 ? -29.375 17.285 -23.356 1.00 15.16 ? 114 TYR A CE1 1 -ATOM 2109 C CE2 . TYR A 1 124 ? -30.363 18.016 -21.329 1.00 16.03 ? 114 TYR A CE2 1 -ATOM 2110 C CZ . TYR A 1 124 ? -30.049 17.008 -22.186 1.00 15.52 ? 114 TYR A CZ 1 -ATOM 2111 O OH . TYR A 1 124 ? -30.330 15.695 -21.919 1.00 17.17 ? 114 TYR A OH 1 -ATOM 2112 H H . TYR A 1 124 ? -29.264 20.772 -25.579 1.00 18.86 ? 114 TYR A H 1 -ATOM 2113 H HA . TYR A 1 124 ? -30.812 21.754 -23.634 1.00 19.54 ? 114 TYR A HA 1 -ATOM 2114 H HB2 . TYR A 1 124 ? -28.074 20.981 -23.556 1.00 18.73 ? 114 TYR A HB2 1 -ATOM 2115 H HB3 . TYR A 1 124 ? -28.855 21.495 -22.271 1.00 18.73 ? 114 TYR A HB3 1 -ATOM 2116 H HD1 . TYR A 1 124 ? -28.518 18.742 -24.390 1.00 18.52 ? 114 TYR A HD1 1 -ATOM 2117 H HD2 . TYR A 1 124 ? -30.228 19.996 -21.027 1.00 19.26 ? 114 TYR A HD2 1 -ATOM 2118 H HE1 . TYR A 1 124 ? -29.169 16.603 -23.954 1.00 18.19 ? 114 TYR A HE1 1 -ATOM 2119 H HE2 . TYR A 1 124 ? -30.815 17.826 -20.539 1.00 19.24 ? 114 TYR A HE2 1 -ATOM 2120 H HH . TYR A 1 124 ? -30.745 15.632 -21.192 1.00 20.60 ? 114 TYR A HH 1 -ATOM 2121 N N . MET A 1 125 ? -29.059 23.721 -25.211 1.00 18.28 ? 115 MET A N 1 -ATOM 2122 C CA . MET A 1 125 ? -28.132 24.859 -25.255 1.00 18.49 ? 115 MET A CA 1 -ATOM 2123 C C . MET A 1 125 ? -28.874 26.105 -25.703 1.00 21.20 ? 115 MET A C 1 -ATOM 2124 O O . MET A 1 125 ? -29.493 26.071 -26.781 1.00 21.10 ? 115 MET A O 1 -ATOM 2125 C CB . MET A 1 125 ? -26.977 24.623 -26.209 1.00 18.29 ? 115 MET A CB 1 -ATOM 2126 C CG . MET A 1 125 ? -26.278 23.302 -26.019 1.00 16.72 ? 115 MET A CG 1 -ATOM 2127 S SD . MET A 1 125 ? -25.729 23.013 -24.343 1.00 18.06 ? 115 MET A SD 1 -ATOM 2128 C CE . MET A 1 125 ? -24.923 21.481 -24.586 1.00 18.06 ? 115 MET A CE 1 -ATOM 2129 H H . MET A 1 125 ? -29.286 23.417 -25.982 1.00 21.94 ? 115 MET A H 1 -ATOM 2130 H HA . MET A 1 125 ? -27.762 24.973 -24.365 1.00 22.19 ? 115 MET A HA 1 -ATOM 2131 H HB2 . MET A 1 125 ? -27.316 24.648 -27.117 1.00 21.95 ? 115 MET A HB2 1 -ATOM 2132 H HB3 . MET A 1 125 ? -26.320 25.325 -26.080 1.00 21.95 ? 115 MET A HB3 1 -ATOM 2133 H HG2 . MET A 1 125 ? -26.890 22.588 -26.257 1.00 20.06 ? 115 MET A HG2 1 -ATOM 2134 H HG3 . MET A 1 125 ? -25.498 23.276 -26.595 1.00 20.06 ? 115 MET A HG3 1 -ATOM 2135 H HE1 . MET A 1 125 ? -24.590 21.160 -23.733 1.00 21.67 ? 115 MET A HE1 1 -ATOM 2136 H HE2 . MET A 1 125 ? -25.558 20.846 -24.953 1.00 21.67 ? 115 MET A HE2 1 -ATOM 2137 H HE3 . MET A 1 125 ? -24.186 21.606 -25.203 1.00 21.67 ? 115 MET A HE3 1 -ATOM 2138 N N . PRO A 1 126 ? -28.848 27.242 -24.972 1.00 18.85 ? 116 PRO A N 1 -ATOM 2139 C CA . PRO A 1 126 ? -28.198 27.417 -23.659 1.00 19.25 ? 116 PRO A CA 1 -ATOM 2140 C C . PRO A 1 126 ? -29.114 27.275 -22.473 1.00 18.86 ? 116 PRO A C 1 -ATOM 2141 O O . PRO A 1 126 ? -28.591 27.163 -21.358 1.00 17.76 ? 116 PRO A O 1 -ATOM 2142 C CB . PRO A 1 126 ? -27.734 28.885 -23.739 1.00 20.32 ? 116 PRO A CB 1 -ATOM 2143 C CG . PRO A 1 126 ? -28.788 29.584 -24.541 1.00 21.89 ? 116 PRO A CG 1 -ATOM 2144 C CD . PRO A 1 126 ? -29.257 28.548 -25.540 1.00 20.64 ? 116 PRO A CD 1 -ATOM 2145 H HA . PRO A 1 126 ? -27.467 26.786 -23.570 1.00 23.10 ? 116 PRO A HA 1 -ATOM 2146 H HB2 . PRO A 1 126 ? -27.671 29.261 -22.847 1.00 24.38 ? 116 PRO A HB2 1 -ATOM 2147 H HB3 . PRO A 1 126 ? -26.872 28.935 -24.181 1.00 24.38 ? 116 PRO A HB3 1 -ATOM 2148 H HG2 . PRO A 1 126 ? -29.515 29.864 -23.962 1.00 26.27 ? 116 PRO A HG2 1 -ATOM 2149 H HG3 . PRO A 1 126 ? -28.407 30.355 -24.991 1.00 26.27 ? 116 PRO A HG3 1 -ATOM 2150 H HD2 . PRO A 1 126 ? -30.222 28.585 -25.638 1.00 24.76 ? 116 PRO A HD2 1 -ATOM 2151 H HD3 . PRO A 1 126 ? -28.831 28.690 -26.400 1.00 24.76 ? 116 PRO A HD3 1 -ATOM 2152 N N . ASP A 1 127 ? -30.407 27.380 -22.618 1.00 18.94 ? 117 ASP A N 1 -ATOM 2153 C CA . ASP A 1 127 ? -31.258 27.710 -21.491 1.00 19.75 ? 117 ASP A CA 1 -ATOM 2154 C C . ASP A 1 127 ? -31.505 26.513 -20.584 1.00 18.99 ? 117 ASP A C 1 -ATOM 2155 O O . ASP A 1 127 ? -31.697 26.690 -19.378 1.00 20.40 ? 117 ASP A O 1 -ATOM 2156 C CB . ASP A 1 127 ? -32.604 28.267 -21.960 1.00 23.81 ? 117 ASP A CB 1 -ATOM 2157 C CG . ASP A 1 127 ? -32.460 29.595 -22.670 1.00 27.12 ? 117 ASP A CG 1 -ATOM 2158 O OD1 . ASP A 1 127 ? -31.499 30.356 -22.405 1.00 26.44 ? 117 ASP A OD1 1 -ATOM 2159 O OD2 . ASP A 1 127 ? -33.327 29.924 -23.519 1.00 33.63 ? 117 ASP A OD2 1 -ATOM 2160 H H . ASP A 1 127 ? -30.827 27.267 -23.360 1.00 22.73 ? 117 ASP A H 1 -ATOM 2161 H HA . ASP A 1 127 ? -30.809 28.402 -20.980 1.00 23.69 ? 117 ASP A HA 1 -ATOM 2162 H HB2 . ASP A 1 127 ? -33.011 27.638 -22.576 1.00 28.57 ? 117 ASP A HB2 1 -ATOM 2163 H HB3 . ASP A 1 127 ? -33.180 28.398 -21.190 1.00 28.57 ? 117 ASP A HB3 1 -ATOM 2164 N N . VAL A 1 128 ? -31.536 25.292 -21.111 1.00 18.95 ? 118 VAL A N 1 -ATOM 2165 C CA . VAL A 1 128 ? -31.775 24.143 -20.252 1.00 18.63 ? 118 VAL A CA 1 -ATOM 2166 C C . VAL A 1 128 ? -30.578 23.980 -19.309 1.00 18.64 ? 118 VAL A C 1 -ATOM 2167 O O . VAL A 1 128 ? -30.745 23.726 -18.103 1.00 17.85 ? 118 VAL A O 1 -ATOM 2168 C CB . VAL A 1 128 ? -32.042 22.856 -21.040 1.00 19.76 ? 118 VAL A CB 1 -ATOM 2169 C CG1 . VAL A 1 128 ? -32.447 21.737 -20.118 1.00 20.84 ? 118 VAL A CG1 1 -ATOM 2170 C CG2 . VAL A 1 128 ? -33.150 23.053 -22.110 1.00 21.88 ? 118 VAL A CG2 1 -ATOM 2171 H H . VAL A 1 128 ? -31.425 25.108 -21.944 1.00 22.74 ? 118 VAL A H 1 -ATOM 2172 H HA . VAL A 1 128 ? -32.583 24.313 -19.743 1.00 22.36 ? 118 VAL A HA 1 -ATOM 2173 H HB . VAL A 1 128 ? -31.216 22.623 -21.492 1.00 23.71 ? 118 VAL A HB 1 -ATOM 2174 H HG11 . VAL A 1 128 ? -32.702 20.966 -20.649 1.00 25.00 ? 118 VAL A HG11 1 -ATOM 2175 H HG12 . VAL A 1 128 ? -31.697 21.511 -19.546 1.00 25.00 ? 118 VAL A HG12 1 -ATOM 2176 H HG13 . VAL A 1 128 ? -33.199 22.029 -19.578 1.00 25.00 ? 118 VAL A HG13 1 -ATOM 2177 H HG21 . VAL A 1 128 ? -33.316 22.206 -22.552 1.00 26.26 ? 118 VAL A HG21 1 -ATOM 2178 H HG22 . VAL A 1 128 ? -33.960 23.362 -21.673 1.00 26.26 ? 118 VAL A HG22 1 -ATOM 2179 H HG23 . VAL A 1 128 ? -32.852 23.711 -22.757 1.00 26.26 ? 118 VAL A HG23 1 -ATOM 2180 N N . ILE A 1 129 ? -29.363 24.141 -19.826 1.00 16.04 ? 119 ILE A N 1 -ATOM 2181 C CA . ILE A 1 129 ? -28.160 24.112 -18.982 1.00 16.29 ? 119 ILE A CA 1 -ATOM 2182 C C . ILE A 1 129 ? -28.243 25.182 -17.917 1.00 15.88 ? 119 ILE A C 1 -ATOM 2183 O O . ILE A 1 129 ? -27.981 24.904 -16.737 1.00 15.79 ? 119 ILE A O 1 -ATOM 2184 C CB . ILE A 1 129 ? -26.903 24.344 -19.833 1.00 16.22 ? 119 ILE A CB 1 -ATOM 2185 C CG1 . ILE A 1 129 ? -26.707 23.256 -20.891 1.00 16.97 ? 119 ILE A CG1 1 -ATOM 2186 C CG2 . ILE A 1 129 ? -25.667 24.489 -18.964 1.00 14.94 ? 119 ILE A CG2 1 -ATOM 2187 C CD1 . ILE A 1 129 ? -26.678 21.857 -20.357 1.00 18.29 ? 119 ILE A CD1 1 -ATOM 2188 H H . ILE A 1 129 ? -29.201 24.269 -20.661 1.00 19.25 ? 119 ILE A H 1 -ATOM 2189 H HA . ILE A 1 129 ? -28.112 23.239 -18.563 1.00 19.55 ? 119 ILE A HA 1 -ATOM 2190 H HB . ILE A 1 129 ? -27.043 25.179 -20.307 1.00 19.47 ? 119 ILE A HB 1 -ATOM 2191 H HG12 . ILE A 1 129 ? -27.437 23.310 -21.528 1.00 20.36 ? 119 ILE A HG12 1 -ATOM 2192 H HG13 . ILE A 1 129 ? -25.862 23.414 -21.341 1.00 20.36 ? 119 ILE A HG13 1 -ATOM 2193 H HG21 . ILE A 1 129 ? -24.878 24.338 -19.509 1.00 17.93 ? 119 ILE A HG21 1 -ATOM 2194 H HG22 . ILE A 1 129 ? -25.645 25.385 -18.592 1.00 17.93 ? 119 ILE A HG22 1 -ATOM 2195 H HG23 . ILE A 1 129 ? -25.704 23.835 -18.249 1.00 17.93 ? 119 ILE A HG23 1 -ATOM 2196 H HD11 . ILE A 1 129 ? -26.396 21.255 -21.063 1.00 21.95 ? 119 ILE A HD11 1 -ATOM 2197 H HD12 . ILE A 1 129 ? -26.052 21.814 -19.617 1.00 21.95 ? 119 ILE A HD12 1 -ATOM 2198 H HD13 . ILE A 1 129 ? -27.567 21.617 -20.053 1.00 21.95 ? 119 ILE A HD13 1 -ATOM 2199 N N . SER A 1 130 ? -28.621 26.410 -18.268 1.00 16.30 ? 120 SER A N 1 -ATOM 2200 C CA . SER A 1 130 ? -28.699 27.469 -17.257 1.00 15.71 ? 120 SER A CA 1 -ATOM 2201 C C . SER A 1 130 ? -29.637 27.087 -16.136 1.00 18.12 ? 120 SER A C 1 -ATOM 2202 O O . SER A 1 130 ? -29.318 27.286 -14.968 1.00 19.04 ? 120 SER A O 1 -ATOM 2203 C CB . SER A 1 130 ? -29.164 28.768 -17.869 1.00 18.76 ? 120 SER A CB 1 -ATOM 2204 O OG . SER A 1 130 ? -28.172 29.208 -18.769 1.00 19.80 ? 120 SER A OG 1 -ATOM 2205 H H . SER A 1 130 ? -28.834 26.653 -19.065 1.00 19.56 ? 120 SER A H 1 -ATOM 2206 H HA . SER A 1 130 ? -27.807 27.602 -16.899 1.00 18.85 ? 120 SER A HA 1 -ATOM 2207 H HB2 . SER A 1 130 ? -29.997 28.625 -18.345 1.00 22.52 ? 120 SER A HB2 1 -ATOM 2208 H HB3 . SER A 1 130 ? -29.290 29.431 -17.172 1.00 22.52 ? 120 SER A HB3 1 -ATOM 2209 H HG . SER A 1 130 ? -28.412 29.926 -19.132 1.00 23.75 ? 120 SER A HG 1 -ATOM 2210 N N . ASP A 1 131 ? -30.768 26.516 -16.452 1.00 18.03 ? 121 ASP A N 1 -ATOM 2211 C CA . ASP A 1 131 ? -31.736 26.153 -15.436 1.00 21.53 ? 121 ASP A CA 1 -ATOM 2212 C C . ASP A 1 131 ? -31.179 25.072 -14.530 1.00 19.58 ? 121 ASP A C 1 -ATOM 2213 O O . ASP A 1 131 ? -31.334 25.134 -13.298 1.00 20.13 ? 121 ASP A O 1 -ATOM 2214 C CB . ASP A 1 131 ? -33.020 25.587 -16.077 1.00 25.56 ? 121 ASP A CB 1 -ATOM 2215 C CG . ASP A 1 131 ? -33.826 26.597 -16.854 1.00 54.82 ? 121 ASP A CG 1 -ATOM 2216 O OD1 . ASP A 1 131 ? -33.747 27.796 -16.551 1.00 34.20 ? 121 ASP A OD1 1 -ATOM 2217 O OD2 . ASP A 1 131 ? -34.588 26.151 -17.746 1.00 41.48 ? 121 ASP A OD2 1 -ATOM 2218 H H . ASP A 1 131 ? -31.011 26.322 -17.254 1.00 21.64 ? 121 ASP A H 1 -ATOM 2219 H HA . ASP A 1 131 ? -31.948 26.956 -14.935 1.00 25.83 ? 121 ASP A HA 1 -ATOM 2220 H HB2 . ASP A 1 131 ? -32.774 24.876 -16.689 1.00 30.67 ? 121 ASP A HB2 1 -ATOM 2221 H HB3 . ASP A 1 131 ? -33.589 25.237 -15.374 1.00 30.67 ? 121 ASP A HB3 1 -ATOM 2222 N N . ILE A 1 132 ? -30.540 24.065 -15.112 1.00 16.61 ? 122 ILE A N 1 -ATOM 2223 C CA . ILE A 1 132 ? -29.942 22.991 -14.327 1.00 18.11 ? 122 ILE A CA 1 -ATOM 2224 C C . ILE A 1 132 ? -28.866 23.538 -13.399 1.00 16.92 ? 122 ILE A C 1 -ATOM 2225 O O . ILE A 1 132 ? -28.793 23.170 -12.214 1.00 17.40 ? 122 ILE A O 1 -ATOM 2226 C CB . ILE A 1 132 ? -29.383 21.899 -15.250 1.00 17.21 ? 122 ILE A CB 1 -ATOM 2227 C CG1 . ILE A 1 132 ? -30.544 21.168 -15.934 1.00 18.78 ? 122 ILE A CG1 1 -ATOM 2228 C CG2 . ILE A 1 132 ? -28.549 20.896 -14.458 1.00 17.25 ? 122 ILE A CG2 1 -ATOM 2229 C CD1 . ILE A 1 132 ? -30.100 20.363 -17.200 1.00 19.21 ? 122 ILE A CD1 1 -ATOM 2230 H H . ILE A 1 132 ? -30.438 23.978 -15.961 1.00 19.94 ? 122 ILE A H 1 -ATOM 2231 H HA . ILE A 1 132 ? -30.635 22.595 -13.776 1.00 21.73 ? 122 ILE A HA 1 -ATOM 2232 H HB . ILE A 1 132 ? -28.816 22.319 -15.915 1.00 20.65 ? 122 ILE A HB 1 -ATOM 2233 H HG12 . ILE A 1 132 ? -30.937 20.543 -15.305 1.00 22.53 ? 122 ILE A HG12 1 -ATOM 2234 H HG13 . ILE A 1 132 ? -31.207 21.820 -16.212 1.00 22.53 ? 122 ILE A HG13 1 -ATOM 2235 H HG21 . ILE A 1 132 ? -28.434 20.092 -14.988 1.00 20.70 ? 122 ILE A HG21 1 -ATOM 2236 H HG22 . ILE A 1 132 ? -27.684 21.289 -14.262 1.00 20.70 ? 122 ILE A HG22 1 -ATOM 2237 H HG23 . ILE A 1 132 ? -29.010 20.684 -13.631 1.00 20.70 ? 122 ILE A HG23 1 -ATOM 2238 H HD11 . ILE A 1 132 ? -30.883 19.968 -17.614 1.00 23.05 ? 122 ILE A HD11 1 -ATOM 2239 H HD12 . ILE A 1 132 ? -29.665 20.968 -17.822 1.00 23.05 ? 122 ILE A HD12 1 -ATOM 2240 H HD13 . ILE A 1 132 ? -29.481 19.666 -16.930 1.00 23.05 ? 122 ILE A HD13 1 -ATOM 2241 N N . VAL A 1 133 ? -27.961 24.353 -13.922 1.00 15.95 ? 123 VAL A N 1 -ATOM 2242 C CA . VAL A 1 133 ? -26.894 24.953 -13.131 1.00 16.30 ? 123 VAL A CA 1 -ATOM 2243 C C . VAL A 1 133 ? -27.455 25.736 -11.963 1.00 17.80 ? 123 VAL A C 1 -ATOM 2244 O O . VAL A 1 133 ? -26.947 25.594 -10.831 1.00 17.54 ? 123 VAL A O 1 -ATOM 2245 C CB . VAL A 1 133 ? -25.994 25.826 -14.020 1.00 16.81 ? 123 VAL A CB 1 -ATOM 2246 C CG1 . VAL A 1 133 ? -25.044 26.622 -13.170 1.00 16.85 ? 123 VAL A CG1 1 -ATOM 2247 C CG2 . VAL A 1 133 ? -25.229 25.007 -15.014 1.00 16.34 ? 123 VAL A CG2 1 -ATOM 2248 H H . VAL A 1 133 ? -27.940 24.581 -14.750 1.00 19.14 ? 123 VAL A H 1 -ATOM 2249 H HA . VAL A 1 133 ? -26.352 24.235 -12.767 1.00 19.56 ? 123 VAL A HA 1 -ATOM 2250 H HB . VAL A 1 133 ? -26.564 26.433 -14.519 1.00 20.18 ? 123 VAL A HB 1 -ATOM 2251 H HG11 . VAL A 1 133 ? -24.301 26.918 -13.718 1.00 20.23 ? 123 VAL A HG11 1 -ATOM 2252 H HG12 . VAL A 1 133 ? -25.513 27.389 -12.805 1.00 20.23 ? 123 VAL A HG12 1 -ATOM 2253 H HG13 . VAL A 1 133 ? -24.719 26.060 -12.449 1.00 20.23 ? 123 VAL A HG13 1 -ATOM 2254 H HG21 . VAL A 1 133 ? -24.713 25.601 -15.581 1.00 19.61 ? 123 VAL A HG21 1 -ATOM 2255 H HG22 . VAL A 1 133 ? -24.636 24.406 -14.537 1.00 19.61 ? 123 VAL A HG22 1 -ATOM 2256 H HG23 . VAL A 1 133 ? -25.855 24.497 -15.551 1.00 19.61 ? 123 VAL A HG23 1 -ATOM 2257 N N . LYS A 1 134 ? -28.479 26.538 -12.171 1.00 17.29 ? 124 LYS A N 1 -ATOM 2258 C CA . LYS A 1 134 ? -29.066 27.310 -11.083 1.00 18.56 ? 124 LYS A CA 1 -ATOM 2259 C C . LYS A 1 134 ? -29.567 26.390 -9.993 1.00 18.72 ? 124 LYS A C 1 -ATOM 2260 O O . LYS A 1 134 ? -29.358 26.663 -8.775 1.00 20.13 ? 124 LYS A O 1 -ATOM 2261 C CB . LYS A 1 134 ? -30.196 28.168 -11.628 1.00 21.03 ? 124 LYS A CB 1 -ATOM 2262 C CG . LYS A 1 134 ? -29.718 29.417 -12.337 1.00 24.50 ? 124 LYS A CG 1 -ATOM 2263 C CD . LYS A 1 134 ? -30.874 30.249 -12.911 1.00 33.56 ? 124 LYS A CD 1 -ATOM 2264 C CE . LYS A 1 134 ? -30.336 31.350 -13.855 1.00 52.79 ? 124 LYS A CE 1 -ATOM 2265 N NZ . LYS A 1 134 ? -31.418 32.046 -14.625 1.00 67.53 ? 124 LYS A NZ 1 -ATOM 2266 H H . LYS A 1 134 ? -28.859 26.659 -12.933 1.00 20.75 ? 124 LYS A H 1 -ATOM 2267 H HA . LYS A 1 134 ? -28.399 27.899 -10.698 1.00 22.27 ? 124 LYS A HA 1 -ATOM 2268 H HB2 . LYS A 1 134 ? -30.708 27.644 -12.263 1.00 25.23 ? 124 LYS A HB2 1 -ATOM 2269 H HB3 . LYS A 1 134 ? -30.763 28.443 -10.891 1.00 25.23 ? 124 LYS A HB3 1 -ATOM 2270 H HG2 . LYS A 1 134 ? -29.232 29.973 -11.708 1.00 29.40 ? 124 LYS A HG2 1 -ATOM 2271 H HG3 . LYS A 1 134 ? -29.138 29.163 -13.072 1.00 29.40 ? 124 LYS A HG3 1 -ATOM 2272 H HD2 . LYS A 1 134 ? -31.469 29.673 -13.416 1.00 40.28 ? 124 LYS A HD2 1 -ATOM 2273 H HD3 . LYS A 1 134 ? -31.359 30.674 -12.186 1.00 40.28 ? 124 LYS A HD3 1 -ATOM 2274 H HE2 . LYS A 1 134 ? -29.869 32.017 -13.328 1.00 63.35 ? 124 LYS A HE2 1 -ATOM 2275 H HE3 . LYS A 1 134 ? -29.727 30.947 -14.494 1.00 63.35 ? 124 LYS A HE3 1 -ATOM 2276 H HZ1 . LYS A 1 134 ? -31.064 32.674 -15.148 1.00 81.04 ? 124 LYS A HZ1 1 -ATOM 2277 H HZ2 . LYS A 1 134 ? -31.855 31.460 -15.133 1.00 81.04 ? 124 LYS A HZ2 1 -ATOM 2278 H HZ3 . LYS A 1 134 ? -31.994 32.428 -14.064 1.00 81.04 ? 124 LYS A HZ3 1 -ATOM 2279 N N . GLU A 1 135 ? -30.190 25.274 -10.379 1.00 18.74 ? 125 GLU A N 1 -ATOM 2280 C CA . GLU A 1 135 ? -30.693 24.349 -9.356 1.00 19.77 ? 125 GLU A CA 1 -ATOM 2281 C C . GLU A 1 135 ? -29.561 23.703 -8.600 1.00 17.22 ? 125 GLU A C 1 -ATOM 2282 O O . GLU A 1 135 ? -29.648 23.534 -7.379 1.00 19.06 ? 125 GLU A O 1 -ATOM 2283 C CB . GLU A 1 135 ? -31.586 23.271 -9.971 1.00 21.49 ? 125 GLU A CB 1 -ATOM 2284 C CG . GLU A 1 135 ? -32.895 23.816 -10.465 1.00 23.31 ? 125 GLU A CG 1 -ATOM 2285 C CD . GLU A 1 135 ? -33.636 24.498 -9.346 1.00 46.33 ? 125 GLU A CD 1 -ATOM 2286 O OE1 . GLU A 1 135 ? -33.863 23.851 -8.318 1.00 31.61 ? 125 GLU A OE1 1 -ATOM 2287 O OE2 . GLU A 1 135 ? -33.893 25.699 -9.440 1.00 36.83 ? 125 GLU A OE2 1 -ATOM 2288 H H . GLU A 1 135 ? -30.331 25.036 -11.193 1.00 22.49 ? 125 GLU A H 1 -ATOM 2289 H HA . GLU A 1 135 ? -31.235 24.862 -8.736 1.00 23.72 ? 125 GLU A HA 1 -ATOM 2290 H HB2 . GLU A 1 135 ? -31.123 22.870 -10.723 1.00 25.78 ? 125 GLU A HB2 1 -ATOM 2291 H HB3 . GLU A 1 135 ? -31.775 22.597 -9.300 1.00 25.78 ? 125 GLU A HB3 1 -ATOM 2292 H HG2 . GLU A 1 135 ? -32.732 24.464 -11.169 1.00 27.97 ? 125 GLU A HG2 1 -ATOM 2293 H HG3 . GLU A 1 135 ? -33.442 23.090 -10.803 1.00 27.97 ? 125 GLU A HG3 1 -ATOM 2294 N N . ILE A 1 136 ? -28.478 23.299 -9.250 1.00 16.87 ? 126 ILE A N 1 -ATOM 2295 C CA . ILE A 1 136 ? -27.406 22.628 -8.556 1.00 16.82 ? 126 ILE A CA 1 -ATOM 2296 C C . ILE A 1 136 ? -26.659 23.602 -7.672 1.00 16.47 ? 126 ILE A C 1 -ATOM 2297 O O . ILE A 1 136 ? -26.235 23.246 -6.551 1.00 17.00 ? 126 ILE A O 1 -ATOM 2298 C CB . ILE A 1 136 ? -26.489 21.878 -9.539 1.00 16.66 ? 126 ILE A CB 1 -ATOM 2299 C CG1 . ILE A 1 136 ? -27.303 20.810 -10.251 1.00 17.13 ? 126 ILE A CG1 1 -ATOM 2300 C CG2 . ILE A 1 136 ? -25.303 21.289 -8.789 1.00 16.76 ? 126 ILE A CG2 1 -ATOM 2301 C CD1 . ILE A 1 136 ? -26.543 20.113 -11.396 1.00 16.70 ? 126 ILE A CD1 1 -ATOM 2302 H H . ILE A 1 136 ? -28.345 23.404 -10.094 1.00 20.25 ? 126 ILE A H 1 -ATOM 2303 H HA . ILE A 1 136 ? -27.789 21.950 -7.977 1.00 20.19 ? 126 ILE A HA 1 -ATOM 2304 H HB . ILE A 1 136 ? -26.137 22.487 -10.207 1.00 19.99 ? 126 ILE A HB 1 -ATOM 2305 H HG12 . ILE A 1 136 ? -27.557 20.130 -9.607 1.00 20.56 ? 126 ILE A HG12 1 -ATOM 2306 H HG13 . ILE A 1 136 ? -28.096 21.221 -10.629 1.00 20.56 ? 126 ILE A HG13 1 -ATOM 2307 H HG21 . ILE A 1 136 ? -24.832 20.676 -9.374 1.00 20.11 ? 126 ILE A HG21 1 -ATOM 2308 H HG22 . ILE A 1 136 ? -24.712 22.009 -8.519 1.00 20.11 ? 126 ILE A HG22 1 -ATOM 2309 H HG23 . ILE A 1 136 ? -25.628 20.817 -8.006 1.00 20.11 ? 126 ILE A HG23 1 -ATOM 2310 H HD11 . ILE A 1 136 ? -27.160 19.552 -11.890 1.00 20.03 ? 126 ILE A HD11 1 -ATOM 2311 H HD12 . ILE A 1 136 ? -26.168 20.789 -11.983 1.00 20.03 ? 126 ILE A HD12 1 -ATOM 2312 H HD13 . ILE A 1 136 ? -25.832 19.572 -11.019 1.00 20.03 ? 126 ILE A HD13 1 -ATOM 2313 N N . LYS A 1 137 ? -26.519 24.854 -8.070 1.00 16.93 ? 127 LYS A N 1 -ATOM 2314 C CA . LYS A 1 137 ? -25.833 25.821 -7.245 1.00 16.98 ? 127 LYS A CA 1 -ATOM 2315 C C . LYS A 1 137 ? -26.570 26.077 -5.933 1.00 17.71 ? 127 LYS A C 1 -ATOM 2316 O O . LYS A 1 137 ? -25.908 26.372 -4.920 1.00 19.25 ? 127 LYS A O 1 -ATOM 2317 C CB . LYS A 1 137 ? -25.619 27.137 -7.997 1.00 17.84 ? 127 LYS A CB 1 -ATOM 2318 C CG . LYS A 1 137 ? -24.492 27.029 -9.077 1.00 17.36 ? 127 LYS A CG 1 -ATOM 2319 C CD . LYS A 1 137 ? -23.122 26.709 -8.519 1.00 19.07 ? 127 LYS A CD 1 -ATOM 2320 C CE . LYS A 1 137 ? -22.619 27.882 -7.761 1.00 20.90 ? 127 LYS A CE 1 -ATOM 2321 N NZ . LYS A 1 137 ? -21.329 27.563 -7.140 1.00 21.64 ? 127 LYS A NZ 1 -ATOM 2322 H H . LYS A 1 137 ? -26.812 25.167 -8.815 1.00 20.32 ? 127 LYS A H 1 -ATOM 2323 H HA . LYS A 1 137 ? -24.957 25.460 -7.036 1.00 20.38 ? 127 LYS A HA 1 -ATOM 2324 H HB2 . LYS A 1 137 ? -26.443 27.385 -8.445 1.00 21.41 ? 127 LYS A HB2 1 -ATOM 2325 H HB3 . LYS A 1 137 ? -25.365 27.826 -7.364 1.00 21.41 ? 127 LYS A HB3 1 -ATOM 2326 H HG2 . LYS A 1 137 ? -24.726 26.324 -9.701 1.00 20.84 ? 127 LYS A HG2 1 -ATOM 2327 H HG3 . LYS A 1 137 ? -24.427 27.877 -9.544 1.00 20.84 ? 127 LYS A HG3 1 -ATOM 2328 H HD2 . LYS A 1 137 ? -23.179 25.948 -7.919 1.00 22.89 ? 127 LYS A HD2 1 -ATOM 2329 H HD3 . LYS A 1 137 ? -22.507 26.515 -9.243 1.00 22.89 ? 127 LYS A HD3 1 -ATOM 2330 H HE2 . LYS A 1 137 ? -22.497 28.633 -8.364 1.00 25.08 ? 127 LYS A HE2 1 -ATOM 2331 H HE3 . LYS A 1 137 ? -23.251 28.116 -7.063 1.00 25.08 ? 127 LYS A HE3 1 -ATOM 2332 H HZ1 . LYS A 1 137 ? -21.424 26.884 -6.573 1.00 25.97 ? 127 LYS A HZ1 1 -ATOM 2333 H HZ2 . LYS A 1 137 ? -20.738 27.336 -7.765 1.00 25.97 ? 127 LYS A HZ2 1 -ATOM 2334 H HZ3 . LYS A 1 137 ? -21.022 28.270 -6.695 1.00 25.97 ? 127 LYS A HZ3 1 -ATOM 2335 N N . LYS A 1 138 ? -27.876 25.872 -5.888 1.00 17.14 ? 128 LYS A N 1 -ATOM 2336 C CA . LYS A 1 138 ? -28.618 25.978 -4.634 1.00 17.79 ? 128 LYS A CA 1 -ATOM 2337 C C . LYS A 1 138 ? -28.208 24.897 -3.629 1.00 17.59 ? 128 LYS A C 1 -ATOM 2338 O O . LYS A 1 138 ? -28.516 25.045 -2.436 1.00 18.27 ? 128 LYS A O 1 -ATOM 2339 C CB . LYS A 1 138 ? -30.125 25.887 -4.903 1.00 19.53 ? 128 LYS A CB 1 -ATOM 2340 C CG . LYS A 1 138 ? -30.653 27.036 -5.743 1.00 20.47 ? 128 LYS A CG 1 -ATOM 2341 C CD . LYS A 1 138 ? -32.128 26.890 -6.009 1.00 24.65 ? 128 LYS A CD 1 -ATOM 2342 C CE . LYS A 1 138 ? -32.611 27.993 -6.943 1.00 29.55 ? 128 LYS A CE 1 -ATOM 2343 N NZ . LYS A 1 138 ? -34.010 27.755 -7.363 1.00 39.49 ? 128 LYS A NZ 1 -ATOM 2344 H H . LYS A 1 138 ? -28.361 25.668 -6.568 1.00 20.57 ? 128 LYS A H 1 -ATOM 2345 H HA . LYS A 1 138 ? -28.435 26.845 -4.239 1.00 21.35 ? 128 LYS A HA 1 -ATOM 2346 H HB2 . LYS A 1 138 ? -30.310 25.061 -5.378 1.00 23.44 ? 128 LYS A HB2 1 -ATOM 2347 H HB3 . LYS A 1 138 ? -30.596 25.895 -4.056 1.00 23.44 ? 128 LYS A HB3 1 -ATOM 2348 H HG2 . LYS A 1 138 ? -30.510 27.872 -5.272 1.00 24.57 ? 128 LYS A HG2 1 -ATOM 2349 H HG3 . LYS A 1 138 ? -30.189 27.052 -6.595 1.00 24.57 ? 128 LYS A HG3 1 -ATOM 2350 H HD2 . LYS A 1 138 ? -32.299 26.032 -6.429 1.00 29.58 ? 128 LYS A HD2 1 -ATOM 2351 H HD3 . LYS A 1 138 ? -32.617 26.955 -5.175 1.00 29.58 ? 128 LYS A HD3 1 -ATOM 2352 H HE2 . LYS A 1 138 ? -32.568 28.847 -6.485 1.00 35.46 ? 128 LYS A HE2 1 -ATOM 2353 H HE3 . LYS A 1 138 ? -32.051 28.014 -7.736 1.00 35.46 ? 128 LYS A HE3 1 -ATOM 2354 H HZ1 . LYS A 1 138 ? -34.278 28.404 -7.909 1.00 47.38 ? 128 LYS A HZ1 1 -ATOM 2355 H HZ2 . LYS A 1 138 ? -34.072 26.976 -7.788 1.00 47.38 ? 128 LYS A HZ2 1 -ATOM 2356 H HZ3 . LYS A 1 138 ? -34.542 27.739 -6.650 1.00 47.38 ? 128 LYS A HZ3 1 -ATOM 2357 N N . MET A 1 139 ? -27.548 23.847 -4.051 1.00 17.96 ? 129 MET A N 1 -ATOM 2358 C CA . MET A 1 139 ? -27.159 22.735 -3.185 1.00 17.99 ? 129 MET A CA 1 -ATOM 2359 C C . MET A 1 139 ? -25.878 23.031 -2.452 1.00 20.55 ? 129 MET A C 1 -ATOM 2360 O O . MET A 1 139 ? -25.442 22.179 -1.669 1.00 22.40 ? 129 MET A O 1 -ATOM 2361 C CB . MET A 1 139 ? -27.044 21.460 -4.008 1.00 18.54 ? 129 MET A CB 1 -ATOM 2362 C CG . MET A 1 139 ? -28.289 21.087 -4.769 1.00 18.58 ? 129 MET A CG 1 -ATOM 2363 S SD . MET A 1 139 ? -28.029 19.662 -5.815 1.00 18.99 ? 129 MET A SD 1 -ATOM 2364 C CE . MET A 1 139 ? -29.589 19.709 -6.729 1.00 22.17 ? 129 MET A CE 1 -ATOM 2365 H H . MET A 1 139 ? -27.299 23.739 -4.867 1.00 21.55 ? 129 MET A H 1 -ATOM 2366 H HA . MET A 1 139 ? -27.852 22.567 -2.527 1.00 21.59 ? 129 MET A HA 1 -ATOM 2367 H HB2 . MET A 1 139 ? -26.329 21.573 -4.654 1.00 22.25 ? 129 MET A HB2 1 -ATOM 2368 H HB3 . MET A 1 139 ? -26.836 20.725 -3.409 1.00 22.25 ? 129 MET A HB3 1 -ATOM 2369 H HG2 . MET A 1 139 ? -28.998 20.878 -4.140 1.00 22.29 ? 129 MET A HG2 1 -ATOM 2370 H HG3 . MET A 1 139 ? -28.555 21.832 -5.331 1.00 22.29 ? 129 MET A HG3 1 -ATOM 2371 H HE1 . MET A 1 139 ? -29.606 18.977 -7.365 1.00 26.61 ? 129 MET A HE1 1 -ATOM 2372 H HE2 . MET A 1 139 ? -30.325 19.621 -6.103 1.00 26.61 ? 129 MET A HE2 1 -ATOM 2373 H HE3 . MET A 1 139 ? -29.654 20.556 -7.199 1.00 26.61 ? 129 MET A HE3 1 -ATOM 2374 N N . GLY A 1 140 ? -25.212 24.152 -2.691 1.00 16.86 ? 130 GLY A N 1 -ATOM 2375 C CA . GLY A 1 140 ? -24.040 24.516 -1.921 1.00 18.96 ? 130 GLY A CA 1 -ATOM 2376 C C . GLY A 1 140 ? -22.727 23.950 -2.397 1.00 18.87 ? 130 GLY A C 1 -ATOM 2377 O O . GLY A 1 140 ? -21.744 23.892 -1.638 1.00 20.30 ? 130 GLY A O 1 -ATOM 2378 H H . GLY A 1 140 ? -25.422 24.722 -3.300 1.00 20.23 ? 130 GLY A H 1 -ATOM 2379 H HA2 . GLY A 1 140 ? -23.959 25.482 -1.928 1.00 22.75 ? 130 GLY A HA2 1 -ATOM 2380 H HA3 . GLY A 1 140 ? -24.170 24.216 -1.008 1.00 22.75 ? 130 GLY A HA3 1 -ATOM 2381 N N . VAL A 1 141 ? -22.650 23.574 -3.659 1.00 16.33 ? 131 VAL A N 1 -ATOM 2382 C CA . VAL A 1 141 ? -21.482 22.943 -4.270 1.00 16.20 ? 131 VAL A CA 1 -ATOM 2383 C C . VAL A 1 141 ? -20.997 23.767 -5.466 1.00 15.36 ? 131 VAL A C 1 -ATOM 2384 O O . VAL A 1 141 ? -21.696 24.641 -5.970 1.00 17.31 ? 131 VAL A O 1 -ATOM 2385 C CB . VAL A 1 141 ? -21.766 21.487 -4.682 1.00 16.54 ? 131 VAL A CB 1 -ATOM 2386 C CG1 . VAL A 1 141 ? -22.029 20.654 -3.438 1.00 19.47 ? 131 VAL A CG1 1 -ATOM 2387 C CG2 . VAL A 1 141 ? -22.888 21.440 -5.733 1.00 18.49 ? 131 VAL A CG2 1 -ATOM 2388 H H . VAL A 1 141 ? -23.294 23.678 -4.219 1.00 19.59 ? 131 VAL A H 1 -ATOM 2389 H HA . VAL A 1 141 ? -20.762 22.948 -3.619 1.00 19.44 ? 131 VAL A HA 1 -ATOM 2390 H HB . VAL A 1 141 ? -20.996 21.087 -5.115 1.00 19.84 ? 131 VAL A HB 1 -ATOM 2391 H HG11 . VAL A 1 141 ? -22.086 19.719 -3.691 1.00 23.36 ? 131 VAL A HG11 1 -ATOM 2392 H HG12 . VAL A 1 141 ? -21.301 20.783 -2.811 1.00 23.36 ? 131 VAL A HG12 1 -ATOM 2393 H HG13 . VAL A 1 141 ? -22.865 20.940 -3.038 1.00 23.36 ? 131 VAL A HG13 1 -ATOM 2394 H HG21 . VAL A 1 141 ? -23.115 20.514 -5.912 1.00 22.19 ? 131 VAL A HG21 1 -ATOM 2395 H HG22 . VAL A 1 141 ? -23.664 21.909 -5.388 1.00 22.19 ? 131 VAL A HG22 1 -ATOM 2396 H HG23 . VAL A 1 141 ? -22.578 21.868 -6.546 1.00 22.19 ? 131 VAL A HG23 1 -ATOM 2397 N N . ALA A 1 142 ? -19.800 23.446 -5.924 1.00 14.53 ? 132 ALA A N 1 -ATOM 2398 C CA . ALA A 1 142 ? -19.285 24.010 -7.175 1.00 14.50 ? 132 ALA A CA 1 -ATOM 2399 C C . ALA A 1 142 ? -19.840 23.240 -8.361 1.00 14.41 ? 132 ALA A C 1 -ATOM 2400 O O . ALA A 1 142 ? -20.170 22.058 -8.255 1.00 14.00 ? 132 ALA A O 1 -ATOM 2401 C CB . ALA A 1 142 ? -17.772 23.902 -7.196 1.00 15.14 ? 132 ALA A CB 1 -ATOM 2402 H H . ALA A 1 142 ? -19.260 22.903 -5.533 1.00 17.44 ? 132 ALA A H 1 -ATOM 2403 H HA . ALA A 1 142 ? -19.545 24.941 -7.249 1.00 17.40 ? 132 ALA A HA 1 -ATOM 2404 H HB1 . ALA A 1 142 ? -17.442 24.259 -8.035 1.00 18.17 ? 132 ALA A HB1 1 -ATOM 2405 H HB2 . ALA A 1 142 ? -17.409 24.410 -6.454 1.00 18.17 ? 132 ALA A HB2 1 -ATOM 2406 H HB3 . ALA A 1 142 ? -17.521 22.968 -7.112 1.00 18.17 ? 132 ALA A HB3 1 -ATOM 2407 N N . VAL A 1 143 ? -19.960 23.939 -9.484 1.00 14.13 ? 133 VAL A N 1 -ATOM 2408 C CA . VAL A 1 143 ? -20.405 23.344 -10.743 1.00 13.94 ? 133 VAL A CA 1 -ATOM 2409 C C . VAL A 1 143 ? -19.333 23.551 -11.796 1.00 14.39 ? 133 VAL A C 1 -ATOM 2410 O O . VAL A 1 143 ? -18.883 24.686 -12.050 1.00 14.63 ? 133 VAL A O 1 -ATOM 2411 C CB . VAL A 1 143 ? -21.728 23.926 -11.204 1.00 14.94 ? 133 VAL A CB 1 -ATOM 2412 C CG1 . VAL A 1 143 ? -22.057 23.464 -12.623 1.00 16.57 ? 133 VAL A CG1 1 -ATOM 2413 C CG2 . VAL A 1 143 ? -22.834 23.507 -10.242 1.00 16.54 ? 133 VAL A CG2 1 -ATOM 2414 H H . VAL A 1 143 ? -19.787 24.780 -9.544 1.00 16.96 ? 133 VAL A H 1 -ATOM 2415 H HA . VAL A 1 143 ? -20.515 22.389 -10.612 1.00 16.73 ? 133 VAL A HA 1 -ATOM 2416 H HB . VAL A 1 143 ? -21.665 24.894 -11.213 1.00 17.92 ? 133 VAL A HB 1 -ATOM 2417 H HG11 . VAL A 1 143 ? -23.000 23.616 -12.794 1.00 19.88 ? 133 VAL A HG11 1 -ATOM 2418 H HG12 . VAL A 1 143 ? -21.521 23.971 -13.252 1.00 19.88 ? 133 VAL A HG12 1 -ATOM 2419 H HG13 . VAL A 1 143 ? -21.855 22.519 -12.702 1.00 19.88 ? 133 VAL A HG13 1 -ATOM 2420 H HG21 . VAL A 1 143 ? -23.672 23.898 -10.535 1.00 19.85 ? 133 VAL A HG21 1 -ATOM 2421 H HG22 . VAL A 1 143 ? -22.902 22.539 -10.242 1.00 19.85 ? 133 VAL A HG22 1 -ATOM 2422 H HG23 . VAL A 1 143 ? -22.614 23.823 -9.352 1.00 19.85 ? 133 VAL A HG23 1 -ATOM 2423 N N . THR A 1 144 ? -18.962 22.461 -12.445 1.00 12.72 ? 134 THR A N 1 -ATOM 2424 C CA . THR A 1 144 ? -18.064 22.447 -13.596 1.00 12.70 ? 134 THR A CA 1 -ATOM 2425 C C . THR A 1 144 ? -18.851 21.987 -14.805 1.00 13.16 ? 134 THR A C 1 -ATOM 2426 O O . THR A 1 144 ? -19.548 20.973 -14.742 1.00 14.30 ? 134 THR A O 1 -ATOM 2427 C CB . THR A 1 144 ? -16.914 21.512 -13.383 1.00 13.07 ? 134 THR A CB 1 -ATOM 2428 O OG1 . THR A 1 144 ? -16.163 22.040 -12.249 1.00 14.42 ? 134 THR A OG1 1 -ATOM 2429 C CG2 . THR A 1 144 ? -15.999 21.410 -14.599 1.00 13.95 ? 134 THR A CG2 1 -ATOM 2430 H H . THR A 1 144 ? -19.229 21.672 -12.228 1.00 15.27 ? 134 THR A H 1 -ATOM 2431 H HA . THR A 1 144 ? -17.714 23.339 -13.743 1.00 15.24 ? 134 THR A HA 1 -ATOM 2432 H HB . THR A 1 144 ? -17.237 20.611 -13.225 1.00 15.68 ? 134 THR A HB 1 -ATOM 2433 H HG1 . THR A 1 144 ? -15.493 21.557 -12.098 1.00 17.31 ? 134 THR A HG1 1 -ATOM 2434 H HG21 . THR A 1 144 ? -15.185 20.939 -14.363 1.00 16.74 ? 134 THR A HG21 1 -ATOM 2435 H HG22 . THR A 1 144 ? -16.447 20.927 -15.311 1.00 16.74 ? 134 THR A HG22 1 -ATOM 2436 H HG23 . THR A 1 144 ? -15.769 22.297 -14.917 1.00 16.74 ? 134 THR A HG23 1 -ATOM 2437 N N . LEU A 1 145 ? -18.748 22.731 -15.921 1.00 13.36 ? 135 LEU A N 1 -ATOM 2438 C CA . LEU A 1 145 ? -19.361 22.335 -17.195 1.00 12.46 ? 135 LEU A CA 1 -ATOM 2439 C C . LEU A 1 145 ? -18.287 21.798 -18.119 1.00 12.70 ? 135 LEU A C 1 -ATOM 2440 O O . LEU A 1 145 ? -17.165 22.285 -18.139 1.00 12.96 ? 135 LEU A O 1 -ATOM 2441 C CB . LEU A 1 145 ? -20.052 23.529 -17.832 1.00 13.90 ? 135 LEU A CB 1 -ATOM 2442 C CG . LEU A 1 145 ? -21.195 24.155 -17.011 1.00 13.81 ? 135 LEU A CG 1 -ATOM 2443 C CD1 . LEU A 1 145 ? -21.793 25.313 -17.754 1.00 15.57 ? 135 LEU A CD1 1 -ATOM 2444 C CD2 . LEU A 1 145 ? -22.251 23.120 -16.737 1.00 15.00 ? 135 LEU A CD2 1 -ATOM 2445 H H . LEU A 1 145 ? -18.323 23.477 -15.962 1.00 16.04 ? 135 LEU A H 1 -ATOM 2446 H HA . LEU A 1 145 ? -20.024 21.640 -17.058 1.00 14.96 ? 135 LEU A HA 1 -ATOM 2447 H HB2 . LEU A 1 145 ? -19.389 24.222 -17.977 1.00 16.68 ? 135 LEU A HB2 1 -ATOM 2448 H HB3 . LEU A 1 145 ? -20.428 23.246 -18.680 1.00 16.68 ? 135 LEU A HB3 1 -ATOM 2449 H HG . LEU A 1 145 ? -20.847 24.480 -16.166 1.00 16.58 ? 135 LEU A HG 1 -ATOM 2450 H HD11 . LEU A 1 145 ? -22.506 25.697 -17.220 1.00 18.69 ? 135 LEU A HD11 1 -ATOM 2451 H HD12 . LEU A 1 145 ? -21.104 25.976 -17.913 1.00 18.69 ? 135 LEU A HD12 1 -ATOM 2452 H HD13 . LEU A 1 145 ? -22.148 24.996 -18.600 1.00 18.69 ? 135 LEU A HD13 1 -ATOM 2453 H HD21 . LEU A 1 145 ? -23.026 23.555 -16.350 1.00 18.00 ? 135 LEU A HD21 1 -ATOM 2454 H HD22 . LEU A 1 145 ? -22.495 22.689 -17.571 1.00 18.00 ? 135 LEU A HD22 1 -ATOM 2455 H HD23 . LEU A 1 145 ? -21.896 22.463 -16.118 1.00 18.00 ? 135 LEU A HD23 1 -ATOM 2456 N N . SER A 1 146 ? -18.672 20.805 -18.931 1.00 12.28 ? 136 SER A N 1 -ATOM 2457 C CA . SER A 1 146 ? -17.774 20.235 -19.944 1.00 12.79 ? 136 SER A CA 1 -ATOM 2458 C C . SER A 1 146 ? -18.641 19.836 -21.141 1.00 12.24 ? 136 SER A C 1 -ATOM 2459 O O . SER A 1 146 ? -18.982 18.688 -21.331 1.00 12.39 ? 136 SER A O 1 -ATOM 2460 C CB . SER A 1 146 ? -17.047 19.061 -19.299 1.00 12.59 ? 136 SER A CB 1 -ATOM 2461 O OG . SER A 1 146 ? -16.072 18.477 -20.167 1.00 13.06 ? 136 SER A OG 1 -ATOM 2462 H H . SER A 1 146 ? -19.452 20.443 -18.914 1.00 14.73 ? 136 SER A H 1 -ATOM 2463 H HA . SER A 1 146 ? -17.130 20.873 -20.289 1.00 15.34 ? 136 SER A HA 1 -ATOM 2464 H HB2 . SER A 1 146 ? -16.599 19.377 -18.499 1.00 15.11 ? 136 SER A HB2 1 -ATOM 2465 H HB3 . SER A 1 146 ? -17.700 18.382 -19.068 1.00 15.11 ? 136 SER A HB3 1 -ATOM 2466 H HG . SER A 1 146 ? -15.478 19.041 -20.351 1.00 15.67 ? 136 SER A HG 1 -ATOM 2467 N N . LEU A 1 147 ? -19.044 20.849 -21.906 1.00 12.26 ? 137 LEU A N 1 -ATOM 2468 C CA . LEU A 1 147 ? -20.071 20.708 -22.934 1.00 12.74 ? 137 LEU A CA 1 -ATOM 2469 C C . LEU A 1 147 ? -19.539 20.945 -24.340 1.00 13.20 ? 137 LEU A C 1 -ATOM 2470 O O . LEU A 1 147 ? -20.326 20.889 -25.271 1.00 14.10 ? 137 LEU A O 1 -ATOM 2471 C CB . LEU A 1 147 ? -21.248 21.666 -22.664 1.00 13.04 ? 137 LEU A CB 1 -ATOM 2472 C CG . LEU A 1 147 ? -21.771 21.701 -21.208 1.00 12.19 ? 137 LEU A CG 1 -ATOM 2473 C CD1 . LEU A 1 147 ? -22.877 22.696 -21.096 1.00 14.30 ? 137 LEU A CD1 1 -ATOM 2474 C CD2 . LEU A 1 147 ? -22.177 20.309 -20.731 1.00 15.39 ? 137 LEU A CD2 1 -ATOM 2475 H H . LEU A 1 147 ? -18.731 21.648 -21.846 1.00 14.71 ? 137 LEU A H 1 -ATOM 2476 H HA . LEU A 1 147 ? -20.418 19.803 -22.895 1.00 15.28 ? 137 LEU A HA 1 -ATOM 2477 H HB2 . LEU A 1 147 ? -20.963 22.566 -22.889 1.00 15.65 ? 137 LEU A HB2 1 -ATOM 2478 H HB3 . LEU A 1 147 ? -21.990 21.402 -23.230 1.00 15.65 ? 137 LEU A HB3 1 -ATOM 2479 H HG . LEU A 1 147 ? -21.064 21.986 -20.609 1.00 14.63 ? 137 LEU A HG 1 -ATOM 2480 H HD11 . LEU A 1 147 ? -23.217 22.689 -20.188 1.00 17.16 ? 137 LEU A HD11 1 -ATOM 2481 H HD12 . LEU A 1 147 ? -22.533 23.576 -21.314 1.00 17.16 ? 137 LEU A HD12 1 -ATOM 2482 H HD13 . LEU A 1 147 ? -23.583 22.454 -21.716 1.00 17.16 ? 137 LEU A HD13 1 -ATOM 2483 H HD21 . LEU A 1 147 ? -22.568 20.379 -19.847 1.00 18.46 ? 137 LEU A HD21 1 -ATOM 2484 H HD22 . LEU A 1 147 ? -22.825 19.939 -21.351 1.00 18.46 ? 137 LEU A HD22 1 -ATOM 2485 H HD23 . LEU A 1 147 ? -21.389 19.744 -20.700 1.00 18.46 ? 137 LEU A HD23 1 -ATOM 2486 N N . GLY A 1 148 ? -18.263 21.220 -24.490 1.00 13.10 ? 138 GLY A N 1 -ATOM 2487 C CA . GLY A 1 148 ? -17.700 21.478 -25.820 1.00 13.04 ? 138 GLY A CA 1 -ATOM 2488 C C . GLY A 1 148 ? -17.673 22.943 -26.170 1.00 13.25 ? 138 GLY A C 1 -ATOM 2489 O O . GLY A 1 148 ? -17.632 23.838 -25.307 1.00 13.85 ? 138 GLY A O 1 -ATOM 2490 H H . GLY A 1 148 ? -17.694 21.267 -23.846 1.00 15.72 ? 138 GLY A H 1 -ATOM 2491 H HA2 . GLY A 1 148 ? -16.790 21.141 -25.852 1.00 15.65 ? 138 GLY A HA2 1 -ATOM 2492 H HA3 . GLY A 1 148 ? -18.231 21.015 -26.486 1.00 15.65 ? 138 GLY A HA3 1 -ATOM 2493 N N . GLU A 1 149 ? -17.631 23.170 -27.487 1.00 13.38 ? 139 GLU A N 1 -ATOM 2494 C CA . GLU A 1 149 ? -17.408 24.481 -28.099 1.00 13.65 ? 139 GLU A CA 1 -ATOM 2495 C C . GLU A 1 149 ? -18.739 25.130 -28.435 1.00 15.20 ? 139 GLU A C 1 -ATOM 2496 O O . GLU A 1 149 ? -19.528 24.605 -29.220 1.00 16.11 ? 139 GLU A O 1 -ATOM 2497 C CB . GLU A 1 149 ? -16.609 24.311 -29.394 1.00 13.93 ? 139 GLU A CB 1 -ATOM 2498 C CG . GLU A 1 149 ? -15.241 23.744 -29.161 1.00 15.54 ? 139 GLU A CG 1 -ATOM 2499 C CD . GLU A 1 149 ? -14.510 23.319 -30.398 1.00 14.31 ? 139 GLU A CD 1 -ATOM 2500 O OE1 . GLU A 1 149 ? -14.749 23.922 -31.467 1.00 16.27 ? 139 GLU A OE1 1 -ATOM 2501 O OE2 . GLU A 1 149 ? -13.648 22.444 -30.306 1.00 15.33 ? 139 GLU A OE2 1 -ATOM 2502 H H . GLU A 1 149 ? -17.733 22.550 -28.074 1.00 16.05 ? 139 GLU A H 1 -ATOM 2503 H HA . GLU A 1 149 ? -16.929 25.045 -27.471 1.00 16.38 ? 139 GLU A HA 1 -ATOM 2504 H HB2 . GLU A 1 149 ? -17.088 23.708 -29.983 1.00 16.72 ? 139 GLU A HB2 1 -ATOM 2505 H HB3 . GLU A 1 149 ? -16.507 25.177 -29.818 1.00 16.72 ? 139 GLU A HB3 1 -ATOM 2506 H HG2 . GLU A 1 149 ? -14.700 24.419 -28.722 1.00 18.65 ? 139 GLU A HG2 1 -ATOM 2507 H HG3 . GLU A 1 149 ? -15.325 22.964 -28.591 1.00 18.65 ? 139 GLU A HG3 1 -ATOM 2508 N N . TRP A 1 150 ? -19.013 26.305 -27.813 1.00 16.31 ? 140 TRP A N 1 -ATOM 2509 C CA . TRP A 1 150 ? -20.259 27.047 -27.982 1.00 15.36 ? 140 TRP A CA 1 -ATOM 2510 C C . TRP A 1 150 ? -19.942 28.525 -28.117 1.00 16.76 ? 140 TRP A C 1 -ATOM 2511 O O . TRP A 1 150 ? -18.855 28.961 -27.728 1.00 19.63 ? 140 TRP A O 1 -ATOM 2512 C CB . TRP A 1 150 ? -21.244 26.757 -26.801 1.00 16.48 ? 140 TRP A CB 1 -ATOM 2513 C CG . TRP A 1 150 ? -21.649 25.302 -26.780 1.00 15.82 ? 140 TRP A CG 1 -ATOM 2514 C CD1 . TRP A 1 150 ? -21.092 24.313 -26.014 1.00 14.09 ? 140 TRP A CD1 1 -ATOM 2515 C CD2 . TRP A 1 150 ? -22.613 24.660 -27.619 1.00 15.34 ? 140 TRP A CD2 1 -ATOM 2516 N NE1 . TRP A 1 150 ? -21.625 23.091 -26.352 1.00 15.09 ? 140 TRP A NE1 1 -ATOM 2517 C CE2 . TRP A 1 150 ? -22.563 23.277 -27.344 1.00 16.02 ? 140 TRP A CE2 1 -ATOM 2518 C CE3 . TRP A 1 150 ? -23.480 25.121 -28.630 1.00 17.63 ? 140 TRP A CE3 1 -ATOM 2519 C CZ2 . TRP A 1 150 ? -23.379 22.365 -27.983 1.00 17.53 ? 140 TRP A CZ2 1 -ATOM 2520 C CZ3 . TRP A 1 150 ? -24.295 24.219 -29.238 1.00 19.93 ? 140 TRP A CZ3 1 -ATOM 2521 C CH2 . TRP A 1 150 ? -24.224 22.844 -28.962 1.00 18.65 ? 140 TRP A CH2 1 -ATOM 2522 H H . TRP A 1 150 ? -18.467 26.693 -27.274 1.00 19.57 ? 140 TRP A H 1 -ATOM 2523 H HA . TRP A 1 150 ? -20.712 26.767 -28.793 1.00 18.43 ? 140 TRP A HA 1 -ATOM 2524 H HB2 . TRP A 1 150 ? -20.809 26.967 -25.959 1.00 19.78 ? 140 TRP A HB2 1 -ATOM 2525 H HB3 . TRP A 1 150 ? -22.042 27.297 -26.906 1.00 19.78 ? 140 TRP A HB3 1 -ATOM 2526 H HD1 . TRP A 1 150 ? -20.445 24.447 -25.359 1.00 16.91 ? 140 TRP A HD1 1 -ATOM 2527 H HE1 . TRP A 1 150 ? -21.410 22.336 -26.002 1.00 18.10 ? 140 TRP A HE1 1 -ATOM 2528 H HE3 . TRP A 1 150 ? -23.494 26.018 -28.875 1.00 21.16 ? 140 TRP A HE3 1 -ATOM 2529 H HZ2 . TRP A 1 150 ? -23.360 21.462 -27.761 1.00 21.04 ? 140 TRP A HZ2 1 -ATOM 2530 H HZ3 . TRP A 1 150 ? -24.920 24.522 -29.857 1.00 23.92 ? 140 TRP A HZ3 1 -ATOM 2531 H HH2 . TRP A 1 150 ? -24.753 22.251 -29.445 1.00 22.38 ? 140 TRP A HH2 1 -ATOM 2532 N N . PRO A 1 151 ? -20.932 29.315 -28.539 1.00 18.30 ? 141 PRO A N 1 -ATOM 2533 C CA . PRO A 1 151 ? -20.713 30.748 -28.626 1.00 19.87 ? 141 PRO A CA 1 -ATOM 2534 C C . PRO A 1 151 ? -20.437 31.384 -27.293 1.00 19.85 ? 141 PRO A C 1 -ATOM 2535 O O . PRO A 1 151 ? -20.884 30.932 -26.234 1.00 19.12 ? 141 PRO A O 1 -ATOM 2536 C CB . PRO A 1 151 ? -22.035 31.273 -29.203 1.00 22.63 ? 141 PRO A CB 1 -ATOM 2537 C CG . PRO A 1 151 ? -22.593 30.093 -29.955 1.00 22.00 ? 141 PRO A CG 1 -ATOM 2538 C CD . PRO A 1 151 ? -22.229 28.915 -29.105 1.00 18.04 ? 141 PRO A CD 1 -ATOM 2539 H HA . PRO A 1 151 ? -19.972 30.927 -29.227 1.00 23.85 ? 141 PRO A HA 1 -ATOM 2540 H HB2 . PRO A 1 151 ? -22.628 31.546 -28.486 1.00 27.15 ? 141 PRO A HB2 1 -ATOM 2541 H HB3 . PRO A 1 151 ? -21.867 32.021 -29.798 1.00 27.15 ? 141 PRO A HB3 1 -ATOM 2542 H HG2 . PRO A 1 151 ? -23.555 30.177 -30.043 1.00 26.40 ? 141 PRO A HG2 1 -ATOM 2543 H HG3 . PRO A 1 151 ? -22.184 30.031 -30.832 1.00 26.40 ? 141 PRO A HG3 1 -ATOM 2544 H HD2 . PRO A 1 151 ? -22.885 28.775 -28.405 1.00 21.65 ? 141 PRO A HD2 1 -ATOM 2545 H HD3 . PRO A 1 151 ? -22.141 28.112 -29.642 1.00 21.65 ? 141 PRO A HD3 1 -ATOM 2546 N N . ARG A 1 152 ? -19.733 32.509 -27.357 1.00 20.55 ? 142 ARG A N 1 -ATOM 2547 C CA A ARG A 1 152 ? -19.456 33.275 -26.146 0.54 24.03 ? 142 ARG A CA 1 -ATOM 2548 C CA B ARG A 1 152 ? -19.457 33.271 -26.145 0.46 19.67 ? 142 ARG A CA 1 -ATOM 2549 C C . ARG A 1 152 ? -20.733 33.568 -25.360 1.00 18.71 ? 142 ARG A C 1 -ATOM 2550 O O . ARG A 1 152 ? -20.745 33.537 -24.126 1.00 20.15 ? 142 ARG A O 1 -ATOM 2551 C CB A ARG A 1 152 ? -18.765 34.590 -26.515 0.54 35.57 ? 142 ARG A CB 1 -ATOM 2552 C CB B ARG A 1 152 ? -18.763 34.590 -26.498 0.46 18.66 ? 142 ARG A CB 1 -ATOM 2553 C CG A ARG A 1 152 ? -18.522 35.519 -25.344 0.54 28.36 ? 142 ARG A CG 1 -ATOM 2554 C CG B ARG A 1 152 ? -18.684 35.581 -25.332 0.46 27.14 ? 142 ARG A CG 1 -ATOM 2555 C CD A ARG A 1 152 ? -17.933 36.847 -25.787 0.54 33.91 ? 142 ARG A CD 1 -ATOM 2556 C CD B ARG A 1 152 ? -18.059 36.898 -25.752 0.46 35.05 ? 142 ARG A CD 1 -ATOM 2557 N NE A ARG A 1 152 ? -17.591 37.643 -24.610 0.54 54.69 ? 142 ARG A NE 1 -ATOM 2558 N NE B ARG A 1 152 ? -16.989 37.290 -24.836 0.46 40.24 ? 142 ARG A NE 1 -ATOM 2559 C CZ A ARG A 1 152 ? -16.359 37.808 -24.134 0.54 46.38 ? 142 ARG A CZ 1 -ATOM 2560 C CZ B ARG A 1 152 ? -17.153 37.986 -23.714 0.46 55.66 ? 142 ARG A CZ 1 -ATOM 2561 N NH1 A ARG A 1 152 ? -16.177 38.542 -23.046 0.54 88.15 ? 142 ARG A NH1 1 -ATOM 2562 N NH1 B ARG A 1 152 ? -16.094 38.276 -22.975 0.46 82.11 ? 142 ARG A NH1 1 -ATOM 2563 N NH2 A ARG A 1 152 ? -15.314 37.265 -24.748 0.54 34.07 ? 142 ARG A NH2 1 -ATOM 2564 N NH2 B ARG A 1 152 ? -18.357 38.396 -23.324 0.46 41.89 ? 142 ARG A NH2 1 -ATOM 2565 H H A ARG A 1 152 ? -19.409 32.848 -28.078 0.54 24.66 ? 142 ARG A H 1 -ATOM 2566 H H B ARG A 1 152 ? -19.410 32.849 -28.078 0.46 24.66 ? 142 ARG A H 1 -ATOM 2567 H HA A ARG A 1 152 ? -18.864 32.754 -25.581 0.54 28.83 ? 142 ARG A HA 1 -ATOM 2568 H HA B ARG A 1 152 ? -18.865 32.742 -25.587 0.46 23.60 ? 142 ARG A HA 1 -ATOM 2569 H HB2 A ARG A 1 152 ? -17.904 34.387 -26.912 0.54 42.69 ? 142 ARG A HB2 1 -ATOM 2570 H HB2 B ARG A 1 152 ? -17.857 34.398 -26.784 0.46 22.39 ? 142 ARG A HB2 1 -ATOM 2571 H HB3 A ARG A 1 152 ? -19.321 35.063 -27.154 0.54 42.69 ? 142 ARG A HB3 1 -ATOM 2572 H HB3 B ARG A 1 152 ? -19.255 35.017 -27.217 0.46 22.39 ? 142 ARG A HB3 1 -ATOM 2573 H HG2 A ARG A 1 152 ? -19.364 35.695 -24.895 0.54 34.04 ? 142 ARG A HG2 1 -ATOM 2574 H HG2 B ARG A 1 152 ? -19.579 35.761 -25.004 0.46 32.57 ? 142 ARG A HG2 1 -ATOM 2575 H HG3 A ARG A 1 152 ? -17.899 35.101 -24.729 0.54 34.04 ? 142 ARG A HG3 1 -ATOM 2576 H HG3 B ARG A 1 152 ? -18.142 35.200 -24.624 0.46 32.57 ? 142 ARG A HG3 1 -ATOM 2577 H HD2 A ARG A 1 152 ? -17.129 36.693 -26.307 0.54 40.70 ? 142 ARG A HD2 1 -ATOM 2578 H HD2 B ARG A 1 152 ? -17.683 36.808 -26.642 0.46 42.06 ? 142 ARG A HD2 1 -ATOM 2579 H HD3 A ARG A 1 152 ? -18.583 37.334 -26.317 0.54 40.70 ? 142 ARG A HD3 1 -ATOM 2580 H HD3 B ARG A 1 152 ? -18.736 37.593 -25.748 0.46 42.06 ? 142 ARG A HD3 1 -ATOM 2581 H HE A ARG A 1 152 ? -18.234 38.034 -24.193 0.54 65.63 ? 142 ARG A HE 1 -ATOM 2582 H HE B ARG A 1 152 ? -16.189 37.050 -25.039 0.46 48.29 ? 142 ARG A HE 1 -ATOM 2583 H HH11 A ARG A 1 152 ? -16.851 38.905 -22.655 0.54 105.78 ? 142 ARG A HH11 1 -ATOM 2584 H HH11 B ARG A 1 152 ? -15.312 38.014 -23.222 0.46 98.53 ? 142 ARG A HH11 1 -ATOM 2585 H HH12 A ARG A 1 152 ? -15.385 38.654 -22.731 0.54 105.78 ? 142 ARG A HH12 1 -ATOM 2586 H HH12 B ARG A 1 152 ? -16.186 38.725 -22.248 0.46 98.53 ? 142 ARG A HH12 1 -ATOM 2587 H HH21 A ARG A 1 152 ? -15.429 36.800 -25.462 0.54 40.88 ? 142 ARG A HH21 1 -ATOM 2588 H HH21 B ARG A 1 152 ? -19.049 38.212 -23.799 0.46 50.27 ? 142 ARG A HH21 1 -ATOM 2589 H HH22 A ARG A 1 152 ? -14.523 37.379 -24.431 0.54 40.88 ? 142 ARG A HH22 1 -ATOM 2590 H HH22 B ARG A 1 152 ? -18.443 38.845 -22.595 0.46 50.27 ? 142 ARG A HH22 1 -ATOM 2591 N N . GLU A 1 153 ? -21.824 33.888 -26.053 1.00 19.83 ? 143 GLU A N 1 -ATOM 2592 C CA . GLU A 1 153 ? -23.067 34.181 -25.364 1.00 20.98 ? 143 GLU A CA 1 -ATOM 2593 C C . GLU A 1 153 ? -23.522 33.048 -24.467 1.00 18.41 ? 143 GLU A C 1 -ATOM 2594 O O . GLU A 1 153 ? -24.141 33.308 -23.416 1.00 20.53 ? 143 GLU A O 1 -ATOM 2595 C CB . GLU A 1 153 ? -24.164 34.529 -26.391 1.00 25.90 ? 143 GLU A CB 1 -ATOM 2596 C CG . GLU A 1 153 ? -25.612 34.427 -25.925 1.00 74.38 ? 143 GLU A CG 1 -ATOM 2597 C CD . GLU A 1 153 ? -26.642 34.793 -27.010 1.00 98.04 ? 143 GLU A CD 1 -ATOM 2598 O OE1 . GLU A 1 153 ? -26.723 34.095 -28.048 1.00 55.09 ? 143 GLU A OE1 1 -ATOM 2599 O OE2 . GLU A 1 153 ? -27.382 35.782 -26.812 1.00 86.62 ? 143 GLU A OE2 1 -ATOM 2600 H H . GLU A 1 153 ? -21.866 33.940 -26.910 1.00 23.79 ? 143 GLU A H 1 -ATOM 2601 H HA . GLU A 1 153 ? -22.916 34.951 -24.793 1.00 25.18 ? 143 GLU A HA 1 -ATOM 2602 H HB2 . GLU A 1 153 ? -24.025 35.445 -26.679 1.00 31.08 ? 143 GLU A HB2 1 -ATOM 2603 H HB3 . GLU A 1 153 ? -24.069 33.926 -27.146 1.00 31.08 ? 143 GLU A HB3 1 -ATOM 2604 H HG2 . GLU A 1 153 ? -25.787 33.514 -25.647 1.00 89.26 ? 143 GLU A HG2 1 -ATOM 2605 H HG3 . GLU A 1 153 ? -25.743 35.032 -25.178 1.00 89.26 ? 143 GLU A HG3 1 -ATOM 2606 N N . TYR A 1 154 ? -23.333 31.807 -24.921 1.00 18.19 ? 144 TYR A N 1 -ATOM 2607 C CA . TYR A 1 154 ? -23.728 30.663 -24.099 1.00 17.84 ? 144 TYR A CA 1 -ATOM 2608 C C . TYR A 1 154 ? -22.850 30.590 -22.869 1.00 17.20 ? 144 TYR A C 1 -ATOM 2609 O O . TYR A 1 154 ? -23.360 30.434 -21.765 1.00 17.60 ? 144 TYR A O 1 -ATOM 2610 C CB . TYR A 1 154 ? -23.636 29.348 -24.903 1.00 17.70 ? 144 TYR A CB 1 -ATOM 2611 C CG . TYR A 1 154 ? -24.696 29.168 -26.020 1.00 18.06 ? 144 TYR A CG 1 -ATOM 2612 C CD1 . TYR A 1 154 ? -25.426 30.225 -26.510 1.00 20.74 ? 144 TYR A CD1 1 -ATOM 2613 C CD2 . TYR A 1 154 ? -24.843 27.932 -26.592 1.00 18.91 ? 144 TYR A CD2 1 -ATOM 2614 C CE1 . TYR A 1 154 ? -26.334 30.021 -27.552 1.00 22.51 ? 144 TYR A CE1 1 -ATOM 2615 C CE2 . TYR A 1 154 ? -25.736 27.708 -27.618 1.00 20.33 ? 144 TYR A CE2 1 -ATOM 2616 C CZ . TYR A 1 154 ? -26.451 28.745 -28.069 1.00 22.15 ? 144 TYR A CZ 1 -ATOM 2617 O OH . TYR A 1 154 ? -27.369 28.583 -29.111 1.00 25.92 ? 144 TYR A OH 1 -ATOM 2618 H H . TYR A 1 154 ? -22.988 31.605 -25.682 1.00 21.83 ? 144 TYR A H 1 -ATOM 2619 H HA . TYR A 1 154 ? -24.654 30.771 -23.831 1.00 21.40 ? 144 TYR A HA 1 -ATOM 2620 H HB2 . TYR A 1 154 ? -22.764 29.310 -25.326 1.00 21.23 ? 144 TYR A HB2 1 -ATOM 2621 H HB3 . TYR A 1 154 ? -23.739 28.606 -24.287 1.00 21.23 ? 144 TYR A HB3 1 -ATOM 2622 H HD1 . TYR A 1 154 ? -25.315 31.075 -26.148 1.00 24.89 ? 144 TYR A HD1 1 -ATOM 2623 H HD2 . TYR A 1 154 ? -24.326 27.225 -26.279 1.00 22.70 ? 144 TYR A HD2 1 -ATOM 2624 H HE1 . TYR A 1 154 ? -26.844 30.722 -27.887 1.00 27.01 ? 144 TYR A HE1 1 -ATOM 2625 H HE2 . TYR A 1 154 ? -25.839 26.860 -27.987 1.00 24.40 ? 144 TYR A HE2 1 -ATOM 2626 H HH . TYR A 1 154 ? -27.352 27.790 -29.388 1.00 31.10 ? 144 TYR A HH 1 -ATOM 2627 N N . TYR A 1 155 ? -21.541 30.688 -23.044 1.00 16.50 ? 145 TYR A N 1 -ATOM 2628 C CA . TYR A 1 155 ? -20.648 30.648 -21.890 1.00 16.82 ? 145 TYR A CA 1 -ATOM 2629 C C . TYR A 1 155 ? -20.982 31.763 -20.910 1.00 18.28 ? 145 TYR A C 1 -ATOM 2630 O O . TYR A 1 155 ? -20.912 31.557 -19.690 1.00 17.87 ? 145 TYR A O 1 -ATOM 2631 C CB . TYR A 1 155 ? -19.204 30.759 -22.364 1.00 17.41 ? 145 TYR A CB 1 -ATOM 2632 C CG . TYR A 1 155 ? -18.668 29.616 -23.204 1.00 15.84 ? 145 TYR A CG 1 -ATOM 2633 C CD1 . TYR A 1 155 ? -19.118 28.321 -23.072 1.00 16.39 ? 145 TYR A CD1 1 -ATOM 2634 C CD2 . TYR A 1 155 ? -17.616 29.844 -24.098 1.00 16.88 ? 145 TYR A CD2 1 -ATOM 2635 C CE1 . TYR A 1 155 ? -18.596 27.288 -23.819 1.00 15.35 ? 145 TYR A CE1 1 -ATOM 2636 C CE2 . TYR A 1 155 ? -17.089 28.836 -24.813 1.00 18.93 ? 145 TYR A CE2 1 -ATOM 2637 C CZ . TYR A 1 155 ? -17.549 27.560 -24.693 1.00 15.99 ? 145 TYR A CZ 1 -ATOM 2638 O OH . TYR A 1 155 ? -16.933 26.560 -25.431 1.00 16.36 ? 145 TYR A OH 1 -ATOM 2639 H H . TYR A 1 155 ? -21.148 30.777 -23.804 1.00 19.80 ? 145 TYR A H 1 -ATOM 2640 H HA . TYR A 1 155 ? -20.751 29.801 -21.427 1.00 20.18 ? 145 TYR A HA 1 -ATOM 2641 H HB2 . TYR A 1 155 ? -19.126 31.564 -22.899 1.00 20.89 ? 145 TYR A HB2 1 -ATOM 2642 H HB3 . TYR A 1 155 ? -18.636 30.825 -21.580 1.00 20.89 ? 145 TYR A HB3 1 -ATOM 2643 H HD1 . TYR A 1 155 ? -19.795 28.138 -22.460 1.00 19.67 ? 145 TYR A HD1 1 -ATOM 2644 H HD2 . TYR A 1 155 ? -17.277 30.704 -24.198 1.00 20.25 ? 145 TYR A HD2 1 -ATOM 2645 H HE1 . TYR A 1 155 ? -18.937 26.426 -23.740 1.00 18.42 ? 145 TYR A HE1 1 -ATOM 2646 H HE2 . TYR A 1 155 ? -16.394 29.014 -25.405 1.00 22.71 ? 145 TYR A HE2 1 -ATOM 2647 H HH . TYR A 1 155 ? -17.285 25.817 -25.258 1.00 19.64 ? 145 TYR A HH 1 -ATOM 2648 N N . GLU A 1 156 ? -21.352 32.940 -21.413 1.00 17.63 ? 146 GLU A N 1 -ATOM 2649 C CA A GLU A 1 156 ? -21.739 34.067 -20.566 0.41 20.64 ? 146 GLU A CA 1 -ATOM 2650 C CA B GLU A 1 156 ? -21.714 34.048 -20.535 0.59 19.40 ? 146 GLU A CA 1 -ATOM 2651 C C . GLU A 1 156 ? -22.990 33.740 -19.765 1.00 18.42 ? 146 GLU A C 1 -ATOM 2652 O O . GLU A 1 156 ? -23.055 33.970 -18.544 1.00 19.55 ? 146 GLU A O 1 -ATOM 2653 C CB A GLU A 1 156 ? -22.021 35.292 -21.451 0.41 28.70 ? 146 GLU A CB 1 -ATOM 2654 C CB B GLU A 1 156 ? -21.871 35.310 -21.389 0.59 20.20 ? 146 GLU A CB 1 -ATOM 2655 C CG A GLU A 1 156 ? -20.799 36.081 -21.895 0.41 42.03 ? 146 GLU A CG 1 -ATOM 2656 C CG B GLU A 1 156 ? -22.072 36.603 -20.611 0.59 45.33 ? 146 GLU A CG 1 -ATOM 2657 C CD A GLU A 1 156 ? -21.130 37.291 -22.779 0.41 52.58 ? 146 GLU A CD 1 -ATOM 2658 C CD B GLU A 1 156 ? -21.837 37.860 -21.444 0.59 33.02 ? 146 GLU A CD 1 -ATOM 2659 O OE1 A GLU A 1 156 ? -22.151 37.280 -23.523 0.41 28.21 ? 146 GLU A OE1 1 -ATOM 2660 O OE1 B GLU A 1 156 ? -22.096 37.838 -22.663 0.59 51.38 ? 146 GLU A OE1 1 -ATOM 2661 O OE2 A GLU A 1 156 ? -20.344 38.258 -22.719 0.41 51.09 ? 146 GLU A OE2 1 -ATOM 2662 O OE2 B GLU A 1 156 ? -21.411 38.873 -20.851 0.59 44.83 ? 146 GLU A OE2 1 -ATOM 2663 H H A GLU A 1 156 ? -21.388 33.117 -22.254 0.41 21.16 ? 146 GLU A H 1 -ATOM 2664 H H B GLU A 1 156 ? -21.401 33.122 -22.252 0.59 21.16 ? 146 GLU A H 1 -ATOM 2665 H HA A GLU A 1 156 ? -21.012 34.264 -19.954 0.41 24.77 ? 146 GLU A HA 1 -ATOM 2666 H HA B GLU A 1 156 ? -21.015 34.202 -19.881 0.59 23.28 ? 146 GLU A HA 1 -ATOM 2667 H HB2 A GLU A 1 156 ? -22.474 34.989 -22.254 0.41 34.44 ? 146 GLU A HB2 1 -ATOM 2668 H HB2 B GLU A 1 156 ? -21.070 35.417 -21.926 0.59 24.25 ? 146 GLU A HB2 1 -ATOM 2669 H HB3 A GLU A 1 156 ? -22.592 35.900 -20.957 0.41 34.44 ? 146 GLU A HB3 1 -ATOM 2670 H HB3 B GLU A 1 156 ? -22.643 35.195 -21.964 0.59 24.25 ? 146 GLU A HB3 1 -ATOM 2671 H HG2 A GLU A 1 156 ? -20.336 36.408 -21.107 0.41 50.44 ? 146 GLU A HG2 1 -ATOM 2672 H HG2 B GLU A 1 156 ? -22.984 36.632 -20.281 0.59 54.40 ? 146 GLU A HG2 1 -ATOM 2673 H HG3 A GLU A 1 156 ? -20.216 35.495 -22.402 0.41 50.44 ? 146 GLU A HG3 1 -ATOM 2674 H HG3 B GLU A 1 156 ? -21.449 36.621 -19.867 0.59 54.40 ? 146 GLU A HG3 1 -ATOM 2675 N N . LYS A 1 157 ? -24.016 33.203 -20.430 1.00 19.21 ? 147 LYS A N 1 -ATOM 2676 C CA . LYS A 1 157 ? -25.249 32.836 -19.746 1.00 19.18 ? 147 LYS A CA 1 -ATOM 2677 C C . LYS A 1 157 ? -24.989 31.792 -18.656 1.00 18.43 ? 147 LYS A C 1 -ATOM 2678 O O . LYS A 1 157 ? -25.565 31.857 -17.549 1.00 19.11 ? 147 LYS A O 1 -ATOM 2679 C CB . LYS A 1 157 ? -26.265 32.295 -20.757 1.00 18.36 ? 147 LYS A CB 1 -ATOM 2680 C CG . LYS A 1 157 ? -26.979 33.384 -21.538 1.00 21.85 ? 147 LYS A CG 1 -ATOM 2681 C CD . LYS A 1 157 ? -27.726 32.852 -22.742 1.00 24.12 ? 147 LYS A CD 1 -ATOM 2682 C CE . LYS A 1 157 ? -28.501 34.013 -23.459 1.00 38.79 ? 147 LYS A CE 1 -ATOM 2683 N NZ . LYS A 1 157 ? -29.134 33.541 -24.723 1.00 93.87 ? 147 LYS A NZ 1 -ATOM 2684 H H . LYS A 1 157 ? -24.021 33.042 -21.274 1.00 23.05 ? 147 LYS A H 1 -ATOM 2685 H HA . LYS A 1 157 ? -25.621 33.628 -19.328 1.00 23.01 ? 147 LYS A HA 1 -ATOM 2686 H HB2 . LYS A 1 157 ? -25.802 31.728 -21.393 1.00 22.03 ? 147 LYS A HB2 1 -ATOM 2687 H HB3 . LYS A 1 157 ? -26.936 31.781 -20.282 1.00 22.03 ? 147 LYS A HB3 1 -ATOM 2688 H HG2 . LYS A 1 157 ? -27.621 33.820 -20.957 1.00 26.22 ? 147 LYS A HG2 1 -ATOM 2689 H HG3 . LYS A 1 157 ? -26.325 34.028 -21.853 1.00 26.22 ? 147 LYS A HG3 1 -ATOM 2690 H HD2 . LYS A 1 157 ? -27.096 32.466 -23.371 1.00 28.95 ? 147 LYS A HD2 1 -ATOM 2691 H HD3 . LYS A 1 157 ? -28.366 32.181 -22.459 1.00 28.95 ? 147 LYS A HD3 1 -ATOM 2692 H HE2 . LYS A 1 157 ? -29.199 34.344 -22.872 1.00 46.55 ? 147 LYS A HE2 1 -ATOM 2693 H HE3 . LYS A 1 157 ? -27.883 34.728 -23.675 1.00 46.55 ? 147 LYS A HE3 1 -ATOM 2694 H HZ1 . LYS A 1 157 ? -29.559 34.214 -25.121 1.00 112.64 ? 147 LYS A HZ1 1 -ATOM 2695 H HZ2 . LYS A 1 157 ? -28.512 33.225 -25.275 1.00 112.64 ? 147 LYS A HZ2 1 -ATOM 2696 H HZ3 . LYS A 1 157 ? -29.719 32.894 -24.547 1.00 112.64 ? 147 LYS A HZ3 1 -ATOM 2697 N N . TRP A 1 158 ? -24.106 30.829 -18.918 1.00 16.35 ? 148 TRP A N 1 -ATOM 2698 C CA . TRP A 1 158 ? -23.860 29.780 -17.935 1.00 16.27 ? 148 TRP A CA 1 -ATOM 2699 C C . TRP A 1 158 ? -23.059 30.315 -16.764 1.00 17.10 ? 148 TRP A C 1 -ATOM 2700 O O . TRP A 1 158 ? -23.251 29.846 -15.640 1.00 17.52 ? 148 TRP A O 1 -ATOM 2701 C CB . TRP A 1 158 ? -23.138 28.607 -18.607 1.00 16.34 ? 148 TRP A CB 1 -ATOM 2702 C CG . TRP A 1 158 ? -23.954 27.967 -19.697 1.00 16.21 ? 148 TRP A CG 1 -ATOM 2703 C CD1 . TRP A 1 158 ? -25.321 28.033 -19.821 1.00 16.52 ? 148 TRP A CD1 1 -ATOM 2704 C CD2 . TRP A 1 158 ? -23.462 27.278 -20.828 1.00 15.66 ? 148 TRP A CD2 1 -ATOM 2705 N NE1 . TRP A 1 158 ? -25.726 27.398 -20.971 1.00 16.87 ? 148 TRP A NE1 1 -ATOM 2706 C CE2 . TRP A 1 158 ? -24.606 26.871 -21.585 1.00 16.11 ? 148 TRP A CE2 1 -ATOM 2707 C CE3 . TRP A 1 158 ? -22.186 26.865 -21.237 1.00 15.10 ? 148 TRP A CE3 1 -ATOM 2708 C CZ2 . TRP A 1 158 ? -24.479 26.168 -22.774 1.00 16.38 ? 148 TRP A CZ2 1 -ATOM 2709 C CZ3 . TRP A 1 158 ? -22.082 26.174 -22.453 1.00 15.17 ? 148 TRP A CZ3 1 -ATOM 2710 C CH2 . TRP A 1 158 ? -23.228 25.801 -23.185 1.00 15.86 ? 148 TRP A CH2 1 -ATOM 2711 H H . TRP A 1 158 ? -23.647 30.763 -19.642 1.00 19.62 ? 148 TRP A H 1 -ATOM 2712 H HA . TRP A 1 158 ? -24.702 29.445 -17.591 1.00 19.53 ? 148 TRP A HA 1 -ATOM 2713 H HB2 . TRP A 1 158 ? -22.311 28.929 -19.000 1.00 19.61 ? 148 TRP A HB2 1 -ATOM 2714 H HB3 . TRP A 1 158 ? -22.946 27.930 -17.939 1.00 19.61 ? 148 TRP A HB3 1 -ATOM 2715 H HD1 . TRP A 1 158 ? -25.890 28.448 -19.214 1.00 19.83 ? 148 TRP A HD1 1 -ATOM 2716 H HE1 . TRP A 1 158 ? -26.534 27.338 -21.258 1.00 20.25 ? 148 TRP A HE1 1 -ATOM 2717 H HE3 . TRP A 1 158 ? -21.435 27.043 -20.719 1.00 18.13 ? 148 TRP A HE3 1 -ATOM 2718 H HZ2 . TRP A 1 158 ? -25.229 25.951 -23.280 1.00 19.66 ? 148 TRP A HZ2 1 -ATOM 2719 H HZ3 . TRP A 1 158 ? -21.240 25.957 -22.783 1.00 18.21 ? 148 TRP A HZ3 1 -ATOM 2720 H HH2 . TRP A 1 158 ? -23.131 25.297 -23.961 1.00 19.03 ? 148 TRP A HH2 1 -ATOM 2721 N N . LYS A 1 159 ? -22.195 31.299 -16.985 1.00 16.30 ? 149 LYS A N 1 -ATOM 2722 C CA . LYS A 1 159 ? -21.485 31.952 -15.899 1.00 16.91 ? 149 LYS A CA 1 -ATOM 2723 C C . LYS A 1 159 ? -22.465 32.732 -15.015 1.00 18.67 ? 149 LYS A C 1 -ATOM 2724 O O . LYS A 1 159 ? -22.436 32.596 -13.783 1.00 18.85 ? 149 LYS A O 1 -ATOM 2725 C CB . LYS A 1 159 ? -20.389 32.865 -16.442 1.00 18.20 ? 149 LYS A CB 1 -ATOM 2726 C CG . LYS A 1 159 ? -19.453 33.394 -15.346 1.00 19.07 ? 149 LYS A CG 1 -ATOM 2727 C CD . LYS A 1 159 ? -18.543 32.310 -14.833 1.00 20.13 ? 149 LYS A CD 1 -ATOM 2728 C CE . LYS A 1 159 ? -17.531 32.868 -13.790 1.00 23.07 ? 149 LYS A CE 1 -ATOM 2729 N NZ . LYS A 1 159 ? -18.147 33.507 -12.612 1.00 29.88 ? 149 LYS A NZ 1 -ATOM 2730 H H . LYS A 1 159 ? -22.000 31.609 -17.763 1.00 19.56 ? 149 LYS A H 1 -ATOM 2731 H HA . LYS A 1 159 ? -21.046 31.280 -15.356 1.00 20.29 ? 149 LYS A HA 1 -ATOM 2732 H HB2 . LYS A 1 159 ? -19.852 32.368 -17.080 1.00 21.84 ? 149 LYS A HB2 1 -ATOM 2733 H HB3 . LYS A 1 159 ? -20.801 33.627 -16.877 1.00 21.84 ? 149 LYS A HB3 1 -ATOM 2734 H HG2 . LYS A 1 159 ? -18.904 34.107 -15.708 1.00 22.89 ? 149 LYS A HG2 1 -ATOM 2735 H HG3 . LYS A 1 159 ? -19.981 33.725 -14.603 1.00 22.89 ? 149 LYS A HG3 1 -ATOM 2736 H HD2 . LYS A 1 159 ? -19.074 31.620 -14.405 1.00 24.16 ? 149 LYS A HD2 1 -ATOM 2737 H HD3 . LYS A 1 159 ? -18.043 31.932 -15.573 1.00 24.16 ? 149 LYS A HD3 1 -ATOM 2738 H HE2 . LYS A 1 159 ? -16.981 32.135 -13.470 1.00 27.69 ? 149 LYS A HE2 1 -ATOM 2739 H HE3 . LYS A 1 159 ? -16.975 33.534 -14.225 1.00 27.69 ? 149 LYS A HE3 1 -ATOM 2740 H HZ1 . LYS A 1 159 ? -17.514 33.794 -12.056 1.00 35.86 ? 149 LYS A HZ1 1 -ATOM 2741 H HZ2 . LYS A 1 159 ? -18.644 34.200 -12.866 1.00 35.86 ? 149 LYS A HZ2 1 -ATOM 2742 H HZ3 . LYS A 1 159 ? -18.664 32.922 -12.184 1.00 35.86 ? 149 LYS A HZ3 1 -ATOM 2743 N N . GLU A 1 160 ? -23.382 33.478 -15.617 1.00 19.44 ? 150 GLU A N 1 -ATOM 2744 C CA . GLU A 1 160 ? -24.371 34.200 -14.849 1.00 19.87 ? 150 GLU A CA 1 -ATOM 2745 C C . GLU A 1 160 ? -25.287 33.248 -14.122 1.00 20.67 ? 150 GLU A C 1 -ATOM 2746 O O . GLU A 1 160 ? -25.742 33.560 -13.021 1.00 22.53 ? 150 GLU A O 1 -ATOM 2747 C CB . GLU A 1 160 ? -25.190 35.060 -15.793 1.00 25.21 ? 150 GLU A CB 1 -ATOM 2748 C CG . GLU A 1 160 ? -24.410 36.123 -16.520 1.00 66.89 ? 150 GLU A CG 1 -ATOM 2749 C CD . GLU A 1 160 ? -24.952 37.515 -16.275 0.00 23.15 ? 150 GLU A CD 1 -ATOM 2750 O OE1 . GLU A 1 160 ? -25.232 37.851 -15.103 0.85 81.32 ? 150 GLU A OE1 1 -ATOM 2751 O OE2 . GLU A 1 160 ? -25.098 38.267 -17.261 0.51 60.67 ? 150 GLU A OE2 1 -ATOM 2752 H H . GLU A 1 160 ? -23.449 33.580 -16.468 1.00 23.33 ? 150 GLU A H 1 -ATOM 2753 H HA . GLU A 1 160 ? -23.930 34.767 -14.197 1.00 23.84 ? 150 GLU A HA 1 -ATOM 2754 H HB2 . GLU A 1 160 ? -25.593 34.485 -16.462 1.00 30.26 ? 150 GLU A HB2 1 -ATOM 2755 H HB3 . GLU A 1 160 ? -25.882 35.507 -15.279 1.00 30.26 ? 150 GLU A HB3 1 -ATOM 2756 H HG2 . GLU A 1 160 ? -23.489 36.102 -16.218 1.00 80.27 ? 150 GLU A HG2 1 -ATOM 2757 H HG3 . GLU A 1 160 ? -24.451 35.948 -17.473 1.00 80.27 ? 150 GLU A HG3 1 -ATOM 2758 N N . ALA A 1 161 ? -25.530 32.057 -14.674 1.00 20.33 ? 151 ALA A N 1 -ATOM 2759 C CA . ALA A 1 161 ? -26.330 31.036 -13.984 1.00 18.60 ? 151 ALA A CA 1 -ATOM 2760 C C . ALA A 1 161 ? -25.615 30.484 -12.774 1.00 20.53 ? 151 ALA A C 1 -ATOM 2761 O O . ALA A 1 161 ? -26.228 29.767 -11.964 1.00 20.30 ? 151 ALA A O 1 -ATOM 2762 C CB . ALA A 1 161 ? -26.664 29.878 -14.935 1.00 20.20 ? 151 ALA A CB 1 -ATOM 2763 H H . ALA A 1 161 ? -25.245 31.812 -15.448 1.00 24.39 ? 151 ALA A H 1 -ATOM 2764 H HA . ALA A 1 161 ? -27.163 31.445 -13.701 1.00 22.32 ? 151 ALA A HA 1 -ATOM 2765 H HB1 . ALA A 1 161 ? -27.187 29.217 -14.455 1.00 24.24 ? 151 ALA A HB1 1 -ATOM 2766 H HB2 . ALA A 1 161 ? -27.174 30.222 -15.685 1.00 24.24 ? 151 ALA A HB2 1 -ATOM 2767 H HB3 . ALA A 1 161 ? -25.838 29.481 -15.252 1.00 24.24 ? 151 ALA A HB3 1 -ATOM 2768 N N . GLY A 1 162 ? -24.303 30.682 -12.700 1.00 18.11 ? 152 GLY A N 1 -ATOM 2769 C CA . GLY A 1 162 ? -23.556 30.271 -11.514 1.00 18.74 ? 152 GLY A CA 1 -ATOM 2770 C C . GLY A 1 162 ? -22.476 29.230 -11.756 1.00 18.37 ? 152 GLY A C 1 -ATOM 2771 O O . GLY A 1 162 ? -21.821 28.800 -10.794 1.00 18.52 ? 152 GLY A O 1 -ATOM 2772 H H . GLY A 1 162 ? -23.828 31.049 -13.316 1.00 21.73 ? 152 GLY A H 1 -ATOM 2773 H HA2 . GLY A 1 162 ? -23.130 31.053 -11.131 1.00 22.49 ? 152 GLY A HA2 1 -ATOM 2774 H HA3 . GLY A 1 162 ? -24.180 29.902 -10.869 1.00 22.49 ? 152 GLY A HA3 1 -ATOM 2775 N N . ALA A 1 163 ? -22.196 28.798 -12.978 1.00 16.50 ? 153 ALA A N 1 -ATOM 2776 C CA . ALA A 1 163 ? -21.151 27.834 -13.194 1.00 15.67 ? 153 ALA A CA 1 -ATOM 2777 C C . ALA A 1 163 ? -19.810 28.401 -12.734 1.00 16.22 ? 153 ALA A C 1 -ATOM 2778 O O . ALA A 1 163 ? -19.501 29.563 -12.946 1.00 18.06 ? 153 ALA A O 1 -ATOM 2779 C CB . ALA A 1 163 ? -21.065 27.453 -14.691 1.00 17.49 ? 153 ALA A CB 1 -ATOM 2780 H H . ALA A 1 163 ? -22.601 29.052 -13.693 1.00 19.80 ? 153 ALA A H 1 -ATOM 2781 H HA . ALA A 1 163 ? -21.348 27.031 -12.686 1.00 18.80 ? 153 ALA A HA 1 -ATOM 2782 H HB1 . ALA A 1 163 ? -20.353 26.805 -14.812 1.00 20.99 ? 153 ALA A HB1 1 -ATOM 2783 H HB2 . ALA A 1 163 ? -21.912 27.070 -14.969 1.00 20.99 ? 153 ALA A HB2 1 -ATOM 2784 H HB3 . ALA A 1 163 ? -20.877 28.251 -15.210 1.00 20.99 ? 153 ALA A HB3 1 -ATOM 2785 N N . ASP A 1 164 ? -19.012 27.543 -12.111 1.00 14.26 ? 154 ASP A N 1 -ATOM 2786 C CA . ASP A 1 164 ? -17.727 27.929 -11.563 1.00 15.25 ? 154 ASP A CA 1 -ATOM 2787 C C . ASP A 1 164 ? -16.536 27.631 -12.466 1.00 15.19 ? 154 ASP A C 1 -ATOM 2788 O O . ASP A 1 164 ? -15.568 28.394 -12.495 1.00 16.34 ? 154 ASP A O 1 -ATOM 2789 C CB . ASP A 1 164 ? -17.485 27.217 -10.205 1.00 15.06 ? 154 ASP A CB 1 -ATOM 2790 C CG . ASP A 1 164 ? -18.524 27.546 -9.180 1.00 16.18 ? 154 ASP A CG 1 -ATOM 2791 O OD1 . ASP A 1 164 ? -18.406 28.658 -8.613 1.00 19.40 ? 154 ASP A OD1 1 -ATOM 2792 O OD2 . ASP A 1 164 ? -19.463 26.757 -9.039 1.00 15.60 ? 154 ASP A OD2 1 -ATOM 2793 H H . ASP A 1 164 ? -19.201 26.712 -11.993 1.00 17.11 ? 154 ASP A H 1 -ATOM 2794 H HA . ASP A 1 164 ? -17.757 28.889 -11.423 1.00 18.30 ? 154 ASP A HA 1 -ATOM 2795 H HB2 . ASP A 1 164 ? -17.497 26.257 -10.345 1.00 18.07 ? 154 ASP A HB2 1 -ATOM 2796 H HB3 . ASP A 1 164 ? -16.623 27.490 -9.855 1.00 18.07 ? 154 ASP A HB3 1 -ATOM 2797 N N . ARG A 1 165 ? -16.572 26.499 -13.154 1.00 14.80 ? 155 ARG A N 1 -ATOM 2798 C CA . ARG A 1 165 ? -15.444 25.980 -13.905 1.00 13.33 ? 155 ARG A CA 1 -ATOM 2799 C C . ARG A 1 165 ? -15.910 25.436 -15.237 1.00 13.77 ? 155 ARG A C 1 -ATOM 2800 O O . ARG A 1 165 ? -17.068 25.094 -15.407 1.00 13.47 ? 155 ARG A O 1 -ATOM 2801 C CB . ARG A 1 165 ? -14.681 24.904 -13.127 1.00 14.20 ? 155 ARG A CB 1 -ATOM 2802 C CG . ARG A 1 165 ? -14.612 25.105 -11.618 1.00 14.41 ? 155 ARG A CG 1 -ATOM 2803 C CD . ARG A 1 165 ? -13.564 24.192 -10.987 1.00 15.04 ? 155 ARG A CD 1 -ATOM 2804 N NE . ARG A 1 165 ? -13.521 24.432 -9.540 1.00 16.40 ? 155 ARG A NE 1 -ATOM 2805 C CZ . ARG A 1 165 ? -13.987 23.617 -8.612 1.00 15.77 ? 155 ARG A CZ 1 -ATOM 2806 N NH1 . ARG A 1 165 ? -14.338 22.376 -8.855 1.00 15.47 ? 155 ARG A NH1 1 -ATOM 2807 N NH2 . ARG A 1 165 ? -14.089 24.072 -7.386 1.00 16.42 ? 155 ARG A NH2 1 -ATOM 2808 H H . ARG A 1 165 ? -17.267 25.995 -13.202 1.00 17.75 ? 155 ARG A H 1 -ATOM 2809 H HA . ARG A 1 165 ? -14.834 26.712 -14.086 1.00 16.00 ? 155 ARG A HA 1 -ATOM 2810 H HB2 . ARG A 1 165 ? -15.114 24.050 -13.284 1.00 17.04 ? 155 ARG A HB2 1 -ATOM 2811 H HB3 . ARG A 1 165 ? -13.769 24.879 -13.457 1.00 17.04 ? 155 ARG A HB3 1 -ATOM 2812 H HG2 . ARG A 1 165 ? -14.371 26.025 -11.426 1.00 17.29 ? 155 ARG A HG2 1 -ATOM 2813 H HG3 . ARG A 1 165 ? -15.475 24.899 -11.225 1.00 17.29 ? 155 ARG A HG3 1 -ATOM 2814 H HD2 . ARG A 1 165 ? -13.798 23.264 -11.144 1.00 18.05 ? 155 ARG A HD2 1 -ATOM 2815 H HD3 . ARG A 1 165 ? -12.691 24.382 -11.363 1.00 18.05 ? 155 ARG A HD3 1 -ATOM 2816 H HE . ARG A 1 165 ? -13.160 25.166 -9.274 1.00 19.68 ? 155 ARG A HE 1 -ATOM 2817 H HH11 . ARG A 1 165 ? -14.269 22.058 -9.651 1.00 18.56 ? 155 ARG A HH11 1 -ATOM 2818 H HH12 . ARG A 1 165 ? -14.637 21.881 -8.219 1.00 18.56 ? 155 ARG A HH12 1 -ATOM 2819 H HH21 . ARG A 1 165 ? -13.855 24.880 -7.206 1.00 19.70 ? 155 ARG A HH21 1 -ATOM 2820 H HH22 . ARG A 1 165 ? -14.390 23.563 -6.761 1.00 19.70 ? 155 ARG A HH22 1 -ATOM 2821 N N . TYR A 1 166 ? -14.955 25.348 -16.178 1.00 13.41 ? 156 TYR A N 1 -ATOM 2822 C CA . TYR A 1 166 ? -15.267 24.763 -17.480 1.00 12.42 ? 156 TYR A CA 1 -ATOM 2823 C C . TYR A 1 166 ? -14.078 23.924 -17.901 1.00 13.99 ? 156 TYR A C 1 -ATOM 2824 O O . TYR A 1 166 ? -12.963 24.433 -17.950 1.00 14.26 ? 156 TYR A O 1 -ATOM 2825 C CB . TYR A 1 166 ? -15.578 25.838 -18.501 1.00 12.86 ? 156 TYR A CB 1 -ATOM 2826 C CG . TYR A 1 166 ? -16.410 25.339 -19.688 1.00 13.25 ? 156 TYR A CG 1 -ATOM 2827 C CD1 . TYR A 1 166 ? -15.872 24.490 -20.650 1.00 12.84 ? 156 TYR A CD1 1 -ATOM 2828 C CD2 . TYR A 1 166 ? -17.739 25.655 -19.811 1.00 13.69 ? 156 TYR A CD2 1 -ATOM 2829 C CE1 . TYR A 1 166 ? -16.622 24.019 -21.719 1.00 13.24 ? 156 TYR A CE1 1 -ATOM 2830 C CE2 . TYR A 1 166 ? -18.513 25.173 -20.855 1.00 13.09 ? 156 TYR A CE2 1 -ATOM 2831 C CZ . TYR A 1 166 ? -17.937 24.373 -21.797 1.00 13.34 ? 156 TYR A CZ 1 -ATOM 2832 O OH . TYR A 1 166 ? -18.765 23.904 -22.806 1.00 14.09 ? 156 TYR A OH 1 -ATOM 2833 H H . TYR A 1 166 ? -14.143 25.615 -16.082 1.00 16.09 ? 156 TYR A H 1 -ATOM 2834 H HA . TYR A 1 166 ? -16.046 24.187 -17.425 1.00 14.90 ? 156 TYR A HA 1 -ATOM 2835 H HB2 . TYR A 1 166 ? -16.077 26.547 -18.066 1.00 15.44 ? 156 TYR A HB2 1 -ATOM 2836 H HB3 . TYR A 1 166 ? -14.743 26.187 -18.851 1.00 15.44 ? 156 TYR A HB3 1 -ATOM 2837 H HD1 . TYR A 1 166 ? -14.982 24.230 -20.575 1.00 15.41 ? 156 TYR A HD1 1 -ATOM 2838 H HD2 . TYR A 1 166 ? -18.132 26.208 -19.175 1.00 16.43 ? 156 TYR A HD2 1 -ATOM 2839 H HE1 . TYR A 1 166 ? -16.236 23.476 -22.368 1.00 15.89 ? 156 TYR A HE1 1 -ATOM 2840 H HE2 . TYR A 1 166 ? -19.415 25.394 -20.913 1.00 15.70 ? 156 TYR A HE2 1 -ATOM 2841 H HH . TYR A 1 166 ? -18.322 23.441 -23.349 1.00 16.91 ? 156 TYR A HH 1 -ATOM 2842 N N . LEU A 1 167 ? -14.326 22.668 -18.224 1.00 11.99 ? 157 LEU A N 1 -ATOM 2843 C CA . LEU A 1 167 ? -13.301 21.737 -18.683 1.00 12.83 ? 157 LEU A CA 1 -ATOM 2844 C C . LEU A 1 167 ? -13.458 21.560 -20.191 1.00 13.34 ? 157 LEU A C 1 -ATOM 2845 O O . LEU A 1 167 ? -14.470 21.005 -20.642 1.00 13.63 ? 157 LEU A O 1 -ATOM 2846 C CB . LEU A 1 167 ? -13.426 20.400 -17.980 1.00 14.17 ? 157 LEU A CB 1 -ATOM 2847 C CG . LEU A 1 167 ? -12.460 19.343 -18.478 1.00 14.28 ? 157 LEU A CG 1 -ATOM 2848 C CD1 . LEU A 1 167 ? -11.040 19.664 -18.163 1.00 16.61 ? 157 LEU A CD1 1 -ATOM 2849 C CD2 . LEU A 1 167 ? -12.860 18.061 -17.846 1.00 19.46 ? 157 LEU A CD2 1 -ATOM 2850 H H . LEU A 1 167 ? -15.108 22.314 -18.186 1.00 14.39 ? 157 LEU A H 1 -ATOM 2851 H HA . LEU A 1 167 ? -12.425 22.107 -18.493 1.00 15.40 ? 157 LEU A HA 1 -ATOM 2852 H HB2 . LEU A 1 167 ? -13.258 20.531 -17.034 1.00 17.01 ? 157 LEU A HB2 1 -ATOM 2853 H HB3 . LEU A 1 167 ? -14.326 20.064 -18.114 1.00 17.01 ? 157 LEU A HB3 1 -ATOM 2854 H HG . LEU A 1 167 ? -12.500 19.288 -19.446 1.00 17.14 ? 157 LEU A HG 1 -ATOM 2855 H HD11 . LEU A 1 167 ? -10.482 18.914 -18.423 1.00 19.94 ? 157 LEU A HD11 1 -ATOM 2856 H HD12 . LEU A 1 167 ? -10.779 20.458 -18.655 1.00 19.94 ? 157 LEU A HD12 1 -ATOM 2857 H HD13 . LEU A 1 167 ? -10.957 19.823 -17.209 1.00 19.94 ? 157 LEU A HD13 1 -ATOM 2858 H HD21 . LEU A 1 167 ? -12.798 17.351 -18.504 1.00 23.36 ? 157 LEU A HD21 1 -ATOM 2859 H HD22 . LEU A 1 167 ? -12.264 17.876 -17.103 1.00 23.36 ? 157 LEU A HD22 1 -ATOM 2860 H HD23 . LEU A 1 167 ? -13.772 18.137 -17.526 1.00 23.36 ? 157 LEU A HD23 1 -ATOM 2861 N N . LEU A 1 168 ? -12.489 22.052 -20.937 1.00 12.45 ? 158 LEU A N 1 -ATOM 2862 C CA . LEU A 1 168 ? -12.464 21.971 -22.415 1.00 12.01 ? 158 LEU A CA 1 -ATOM 2863 C C . LEU A 1 168 ? -11.056 21.501 -22.773 1.00 12.52 ? 158 LEU A C 1 -ATOM 2864 O O . LEU A 1 168 ? -10.172 22.297 -23.081 1.00 12.77 ? 158 LEU A O 1 -ATOM 2865 C CB . LEU A 1 168 ? -12.812 23.313 -23.004 1.00 13.90 ? 158 LEU A CB 1 -ATOM 2866 C CG . LEU A 1 168 ? -13.013 23.292 -24.541 1.00 13.57 ? 158 LEU A CG 1 -ATOM 2867 C CD1 . LEU A 1 168 ? -14.305 22.688 -24.886 1.00 16.21 ? 158 LEU A CD1 1 -ATOM 2868 C CD2 . LEU A 1 168 ? -12.974 24.712 -25.095 1.00 18.41 ? 158 LEU A CD2 1 -ATOM 2869 H H . LEU A 1 168 ? -11.802 22.456 -20.612 1.00 14.94 ? 158 LEU A H 1 -ATOM 2870 H HA . LEU A 1 168 ? -13.103 21.325 -22.756 1.00 14.42 ? 158 LEU A HA 1 -ATOM 2871 H HB2 . LEU A 1 168 ? -13.637 23.624 -22.601 1.00 16.68 ? 158 LEU A HB2 1 -ATOM 2872 H HB3 . LEU A 1 168 ? -12.092 23.934 -22.808 1.00 16.68 ? 158 LEU A HB3 1 -ATOM 2873 H HG . LEU A 1 168 ? -12.300 22.767 -24.938 1.00 16.29 ? 158 LEU A HG 1 -ATOM 2874 H HD11 . LEU A 1 168 ? -14.431 22.737 -25.847 1.00 19.45 ? 158 LEU A HD11 1 -ATOM 2875 H HD12 . LEU A 1 168 ? -14.307 21.761 -24.599 1.00 19.45 ? 158 LEU A HD12 1 -ATOM 2876 H HD13 . LEU A 1 168 ? -15.012 23.175 -24.435 1.00 19.45 ? 158 LEU A HD13 1 -ATOM 2877 H HD21 . LEU A 1 168 ? -13.090 24.679 -26.057 1.00 22.09 ? 158 LEU A HD21 1 -ATOM 2878 H HD22 . LEU A 1 168 ? -13.691 25.227 -24.693 1.00 22.09 ? 158 LEU A HD22 1 -ATOM 2879 H HD23 . LEU A 1 168 ? -12.118 25.112 -24.878 1.00 22.09 ? 158 LEU A HD23 1 -ATOM 2880 N N . ARG A 1 169 ? -10.852 20.185 -22.674 1.00 13.09 ? 159 ARG A N 1 -ATOM 2881 C CA . ARG A 1 169 ? -9.519 19.619 -22.930 1.00 12.94 ? 159 ARG A CA 1 -ATOM 2882 C C . ARG A 1 169 ? -9.072 20.043 -24.331 1.00 13.57 ? 159 ARG A C 1 -ATOM 2883 O O . ARG A 1 169 ? -9.855 19.990 -25.278 1.00 14.37 ? 159 ARG A O 1 -ATOM 2884 C CB . ARG A 1 169 ? -9.570 18.102 -22.758 1.00 13.63 ? 159 ARG A CB 1 -ATOM 2885 C CG . ARG A 1 169 ? -9.823 17.728 -21.292 1.00 13.48 ? 159 ARG A CG 1 -ATOM 2886 C CD . ARG A 1 169 ? -10.055 16.256 -21.059 1.00 15.89 ? 159 ARG A CD 1 -ATOM 2887 N NE . ARG A 1 169 ? -8.803 15.522 -21.301 1.00 14.63 ? 159 ARG A NE 1 -ATOM 2888 C CZ . ARG A 1 169 ? -8.677 14.201 -21.368 1.00 15.24 ? 159 ARG A CZ 1 -ATOM 2889 N NH1 . ARG A 1 169 ? -7.541 13.625 -21.688 1.00 16.68 ? 159 ARG A NH1 1 -ATOM 2890 N NH2 . ARG A 1 169 ? -9.723 13.474 -21.105 1.00 16.50 ? 159 ARG A NH2 1 -ATOM 2891 H H . ARG A 1 169 ? -11.454 19.607 -22.465 1.00 15.70 ? 159 ARG A H 1 -ATOM 2892 H HA . ARG A 1 169 ? -8.858 19.944 -22.299 1.00 15.53 ? 159 ARG A HA 1 -ATOM 2893 H HB2 . ARG A 1 169 ? -10.290 17.740 -23.298 1.00 16.36 ? 159 ARG A HB2 1 -ATOM 2894 H HB3 . ARG A 1 169 ? -8.723 17.717 -23.033 1.00 16.36 ? 159 ARG A HB3 1 -ATOM 2895 H HG2 . ARG A 1 169 ? -9.051 17.990 -20.766 1.00 16.18 ? 159 ARG A HG2 1 -ATOM 2896 H HG3 . ARG A 1 169 ? -10.611 18.201 -20.982 1.00 16.18 ? 159 ARG A HG3 1 -ATOM 2897 H HD2 . ARG A 1 169 ? -10.335 16.107 -20.142 1.00 19.06 ? 159 ARG A HD2 1 -ATOM 2898 H HD3 . ARG A 1 169 ? -10.734 15.928 -21.670 1.00 19.06 ? 159 ARG A HD3 1 -ATOM 2899 H HE . ARG A 1 169 ? -8.089 15.989 -21.408 1.00 17.56 ? 159 ARG A HE 1 -ATOM 2900 H HH11 . ARG A 1 169 ? -6.849 14.106 -21.861 1.00 20.02 ? 159 ARG A HH11 1 -ATOM 2901 H HH12 . ARG A 1 169 ? -7.488 12.768 -21.723 1.00 20.02 ? 159 ARG A HH12 1 -ATOM 2902 H HH21 . ARG A 1 169 ? -10.466 13.852 -20.896 1.00 19.80 ? 159 ARG A HH21 1 -ATOM 2903 H HH22 . ARG A 1 169 ? -9.670 12.617 -21.141 1.00 19.80 ? 159 ARG A HH22 1 -ATOM 2904 N N . HIS A 1 170 ? -7.824 20.536 -24.447 1.00 13.58 ? 160 HIS A N 1 -ATOM 2905 C CA . HIS A 1 170 ? -7.404 21.020 -25.761 1.00 13.51 ? 160 HIS A CA 1 -ATOM 2906 C C . HIS A 1 170 ? -7.076 19.920 -26.766 1.00 13.54 ? 160 HIS A C 1 -ATOM 2907 O O . HIS A 1 170 ? -6.960 20.206 -27.973 1.00 14.17 ? 160 HIS A O 1 -ATOM 2908 C CB . HIS A 1 170 ? -6.276 22.035 -25.631 1.00 14.22 ? 160 HIS A CB 1 -ATOM 2909 C CG . HIS A 1 170 ? -4.955 21.449 -25.304 1.00 14.53 ? 160 HIS A CG 1 -ATOM 2910 N ND1 . HIS A 1 170 ? -4.508 21.144 -24.016 1.00 15.20 ? 160 HIS A ND1 1 -ATOM 2911 C CD2 . HIS A 1 170 ? -3.946 21.094 -26.139 1.00 16.05 ? 160 HIS A CD2 1 -ATOM 2912 C CE1 . HIS A 1 170 ? -3.303 20.632 -24.114 1.00 14.74 ? 160 HIS A CE1 1 -ATOM 2913 N NE2 . HIS A 1 170 ? -2.927 20.613 -25.392 1.00 15.69 ? 160 HIS A NE2 1 -ATOM 2914 H H . HIS A 1 170 ? -7.244 20.594 -23.816 1.00 16.29 ? 160 HIS A H 1 -ATOM 2915 H HA . HIS A 1 170 ? -8.151 21.500 -26.153 1.00 16.22 ? 160 HIS A HA 1 -ATOM 2916 H HB2 . HIS A 1 170 ? -6.186 22.508 -26.473 1.00 17.07 ? 160 HIS A HB2 1 -ATOM 2917 H HB3 . HIS A 1 170 ? -6.502 22.659 -24.923 1.00 17.07 ? 160 HIS A HB3 1 -ATOM 2918 H HD2 . HIS A 1 170 ? -3.954 21.168 -27.066 1.00 19.26 ? 160 HIS A HD2 1 -ATOM 2919 H HE1 . HIS A 1 170 ? -2.790 20.328 -23.400 1.00 17.69 ? 160 HIS A HE1 1 -ATOM 2920 H HE2 . HIS A 1 170 ? -2.168 20.343 -25.690 1.00 18.83 ? 160 HIS A HE2 1 -ATOM 2921 N N . GLU A 1 171 ? -6.902 18.693 -26.301 1.00 13.91 ? 161 GLU A N 1 -ATOM 2922 C CA . GLU A 1 171 ? -6.730 17.463 -27.078 1.00 14.36 ? 161 GLU A CA 1 -ATOM 2923 C C . GLU A 1 171 ? -5.338 17.311 -27.657 1.00 13.81 ? 161 GLU A C 1 -ATOM 2924 O O . GLU A 1 171 ? -4.609 16.377 -27.360 1.00 14.04 ? 161 GLU A O 1 -ATOM 2925 C CB . GLU A 1 171 ? -7.824 17.327 -28.146 1.00 15.16 ? 161 GLU A CB 1 -ATOM 2926 C CG . GLU A 1 171 ? -9.246 17.641 -27.712 1.00 14.74 ? 161 GLU A CG 1 -ATOM 2927 C CD . GLU A 1 171 ? -9.766 16.888 -26.529 1.00 16.22 ? 161 GLU A CD 1 -ATOM 2928 O OE1 . GLU A 1 171 ? -9.065 16.106 -25.895 1.00 16.70 ? 161 GLU A OE1 1 -ATOM 2929 O OE2 . GLU A 1 171 ? -10.970 17.087 -26.274 1.00 16.96 ? 161 GLU A OE2 1 -ATOM 2930 H H . GLU A 1 171 ? -6.876 18.523 -25.459 1.00 16.69 ? 161 GLU A H 1 -ATOM 2931 H HA . GLU A 1 171 ? -6.832 16.715 -26.469 1.00 17.24 ? 161 GLU A HA 1 -ATOM 2932 H HB2 . GLU A 1 171 ? -7.610 17.932 -28.874 1.00 18.20 ? 161 GLU A HB2 1 -ATOM 2933 H HB3 . GLU A 1 171 ? -7.821 16.411 -28.464 1.00 18.20 ? 161 GLU A HB3 1 -ATOM 2934 H HG2 . GLU A 1 171 ? -9.292 18.584 -27.491 1.00 17.69 ? 161 GLU A HG2 1 -ATOM 2935 H HG3 . GLU A 1 171 ? -9.838 17.446 -28.456 1.00 17.69 ? 161 GLU A HG3 1 -ATOM 2936 N N . THR A 1 172 ? -4.974 18.248 -28.521 1.00 14.83 ? 162 THR A N 1 -ATOM 2937 C CA . THR A 1 172 ? -3.628 18.361 -29.103 1.00 15.52 ? 162 THR A CA 1 -ATOM 2938 C C . THR A 1 172 ? -3.390 19.817 -29.486 1.00 14.14 ? 162 THR A C 1 -ATOM 2939 O O . THR A 1 172 ? -4.259 20.443 -30.098 1.00 15.14 ? 162 THR A O 1 -ATOM 2940 C CB . THR A 1 172 ? -3.434 17.421 -30.309 1.00 15.04 ? 162 THR A CB 1 -ATOM 2941 O OG1 . THR A 1 172 ? -2.164 17.689 -30.907 1.00 16.04 ? 162 THR A OG1 1 -ATOM 2942 C CG2 . THR A 1 172 ? -4.484 17.581 -31.401 1.00 16.66 ? 162 THR A CG2 1 -ATOM 2943 H H . THR A 1 172 ? -5.506 18.862 -28.804 1.00 17.79 ? 162 THR A H 1 -ATOM 2944 H HA . THR A 1 172 ? -2.962 18.110 -28.445 1.00 18.63 ? 162 THR A HA 1 -ATOM 2945 H HB . THR A 1 172 ? -3.505 16.514 -29.971 1.00 18.05 ? 162 THR A HB 1 -ATOM 2946 H HG1 . THR A 1 172 ? -1.550 17.553 -30.351 1.00 19.25 ? 162 THR A HG1 1 -ATOM 2947 H HG21 . THR A 1 172 ? -4.308 16.961 -32.125 1.00 19.99 ? 162 THR A HG21 1 -ATOM 2948 H HG22 . THR A 1 172 ? -5.367 17.402 -31.040 1.00 19.99 ? 162 THR A HG22 1 -ATOM 2949 H HG23 . THR A 1 172 ? -4.465 18.486 -31.750 1.00 19.99 ? 162 THR A HG23 1 -ATOM 2950 N N . ALA A 1 173 ? -2.216 20.320 -29.160 1.00 14.73 ? 163 ALA A N 1 -ATOM 2951 C CA . ALA A 1 173 ? -1.826 21.656 -29.551 1.00 15.07 ? 163 ALA A CA 1 -ATOM 2952 C C . ALA A 1 173 ? -1.236 21.700 -30.946 1.00 18.64 ? 163 ALA A C 1 -ATOM 2953 O O . ALA A 1 173 ? -0.850 22.786 -31.406 1.00 20.15 ? 163 ALA A O 1 -ATOM 2954 C CB . ALA A 1 173 ? -0.843 22.211 -28.521 1.00 17.80 ? 163 ALA A CB 1 -ATOM 2955 H H . ALA A 1 173 ? -1.619 19.900 -28.705 1.00 17.67 ? 163 ALA A H 1 -ATOM 2956 H HA . ALA A 1 173 ? -2.601 22.240 -29.556 1.00 18.09 ? 163 ALA A HA 1 -ATOM 2957 H HB1 . ALA A 1 173 ? -0.574 23.104 -28.790 1.00 21.36 ? 163 ALA A HB1 1 -ATOM 2958 H HB2 . ALA A 1 173 ? -1.278 22.244 -27.654 1.00 21.36 ? 163 ALA A HB2 1 -ATOM 2959 H HB3 . ALA A 1 173 ? -0.067 21.630 -28.480 1.00 21.36 ? 163 ALA A HB3 1 -ATOM 2960 N N . ASN A 1 174 ? -1.115 20.596 -31.659 1.00 16.02 ? 164 ASN A N 1 -ATOM 2961 C CA . ASN A 1 174 ? -0.619 20.624 -33.039 1.00 15.99 ? 164 ASN A CA 1 -ATOM 2962 C C . ASN A 1 174 ? -1.806 20.975 -33.933 1.00 15.66 ? 164 ASN A C 1 -ATOM 2963 O O . ASN A 1 174 ? -2.766 20.205 -34.016 1.00 15.69 ? 164 ASN A O 1 -ATOM 2964 C CB . ASN A 1 174 ? -0.110 19.208 -33.355 1.00 16.61 ? 164 ASN A CB 1 -ATOM 2965 C CG . ASN A 1 174 ? 0.370 19.065 -34.777 1.00 16.91 ? 164 ASN A CG 1 -ATOM 2966 O OD1 . ASN A 1 174 ? -0.224 19.610 -35.727 1.00 17.50 ? 164 ASN A OD1 1 -ATOM 2967 N ND2 . ASN A 1 174 ? 1.457 18.382 -34.951 1.00 20.74 ? 164 ASN A ND2 1 -ATOM 2968 H H . ASN A 1 174 ? -1.313 19.810 -31.373 1.00 19.22 ? 164 ASN A H 1 -ATOM 2969 H HA . ASN A 1 174 ? 0.090 21.269 -33.185 1.00 19.18 ? 164 ASN A HA 1 -ATOM 2970 H HB2 . ASN A 1 174 ? 0.632 19.000 -32.766 1.00 19.93 ? 164 ASN A HB2 1 -ATOM 2971 H HB3 . ASN A 1 174 ? -0.831 18.574 -33.217 1.00 19.93 ? 164 ASN A HB3 1 -ATOM 2972 H HD21 . ASN A 1 174 ? 1.773 18.271 -35.742 1.00 24.89 ? 164 ASN A HD21 1 -ATOM 2973 H HD22 . ASN A 1 174 ? 1.862 18.040 -34.274 1.00 24.89 ? 164 ASN A HD22 1 -ATOM 2974 N N . PRO A 1 175 ? -1.822 22.150 -34.587 1.00 16.01 ? 165 PRO A N 1 -ATOM 2975 C CA . PRO A 1 175 ? -3.031 22.543 -35.294 1.00 16.67 ? 165 PRO A CA 1 -ATOM 2976 C C . PRO A 1 175 ? -3.313 21.701 -36.524 1.00 15.88 ? 165 PRO A C 1 -ATOM 2977 O O . PRO A 1 175 ? -4.493 21.571 -36.880 1.00 16.76 ? 165 PRO A O 1 -ATOM 2978 C CB . PRO A 1 175 ? -2.752 24.006 -35.680 1.00 18.89 ? 165 PRO A CB 1 -ATOM 2979 C CG . PRO A 1 175 ? -1.281 24.162 -35.632 1.00 25.21 ? 165 PRO A CG 1 -ATOM 2980 C CD . PRO A 1 175 ? -0.780 23.171 -34.612 1.00 17.94 ? 165 PRO A CD 1 -ATOM 2981 H HA . PRO A 1 175 ? -3.790 22.501 -34.693 1.00 20.01 ? 165 PRO A HA 1 -ATOM 2982 H HB2 . PRO A 1 175 ? -3.088 24.178 -36.574 1.00 22.66 ? 165 PRO A HB2 1 -ATOM 2983 H HB3 . PRO A 1 175 ? -3.182 24.599 -35.044 1.00 22.66 ? 165 PRO A HB3 1 -ATOM 2984 H HG2 . PRO A 1 175 ? -0.906 23.971 -36.506 1.00 30.25 ? 165 PRO A HG2 1 -ATOM 2985 H HG3 . PRO A 1 175 ? -1.059 25.068 -35.366 1.00 30.25 ? 165 PRO A HG3 1 -ATOM 2986 H HD2 . PRO A 1 175 ? 0.068 22.791 -34.889 1.00 21.52 ? 165 PRO A HD2 1 -ATOM 2987 H HD3 . PRO A 1 175 ? -0.687 23.590 -33.742 1.00 21.52 ? 165 PRO A HD3 1 -ATOM 2988 N N . VAL A 1 176 ? -2.284 21.131 -37.143 1.00 16.36 ? 166 VAL A N 1 -ATOM 2989 C CA . VAL A 1 176 ? -2.493 20.266 -38.290 1.00 16.56 ? 166 VAL A CA 1 -ATOM 2990 C C . VAL A 1 176 ? -3.184 18.988 -37.830 1.00 16.62 ? 166 VAL A C 1 -ATOM 2991 O O . VAL A 1 176 ? -4.201 18.562 -38.395 1.00 17.35 ? 166 VAL A O 1 -ATOM 2992 C CB . VAL A 1 176 ? -1.149 20.038 -39.011 1.00 17.30 ? 166 VAL A CB 1 -ATOM 2993 C CG1 . VAL A 1 176 ? -1.276 18.967 -40.080 1.00 18.43 ? 166 VAL A CG1 1 -ATOM 2994 C CG2 . VAL A 1 176 ? -0.650 21.321 -39.607 1.00 17.97 ? 166 VAL A CG2 1 -ATOM 2995 H H . VAL A 1 176 ? -1.460 21.230 -36.917 1.00 19.63 ? 166 VAL A H 1 -ATOM 2996 H HA . VAL A 1 176 ? -3.082 20.681 -38.940 1.00 19.87 ? 166 VAL A HA 1 -ATOM 2997 H HB . VAL A 1 176 ? -0.500 19.729 -38.359 1.00 20.76 ? 166 VAL A HB 1 -ATOM 2998 H HG11 . VAL A 1 176 ? -0.463 18.952 -40.610 1.00 22.12 ? 166 VAL A HG11 1 -ATOM 2999 H HG12 . VAL A 1 176 ? -1.408 18.107 -39.652 1.00 22.12 ? 166 VAL A HG12 1 -ATOM 3000 H HG13 . VAL A 1 176 ? -2.035 19.176 -40.647 1.00 22.12 ? 166 VAL A HG13 1 -ATOM 3001 H HG21 . VAL A 1 176 ? 0.198 21.155 -40.048 1.00 21.56 ? 166 VAL A HG21 1 -ATOM 3002 H HG22 . VAL A 1 176 ? -1.300 21.644 -40.250 1.00 21.56 ? 166 VAL A HG22 1 -ATOM 3003 H HG23 . VAL A 1 176 ? -0.532 21.973 -38.899 1.00 21.56 ? 166 VAL A HG23 1 -ATOM 3004 N N . LEU A 1 177 ? -2.618 18.331 -36.829 1.00 16.21 ? 167 LEU A N 1 -ATOM 3005 C CA . LEU A 1 177 ? -3.235 17.120 -36.291 1.00 16.88 ? 167 LEU A CA 1 -ATOM 3006 C C . LEU A 1 177 ? -4.613 17.423 -35.751 1.00 15.39 ? 167 LEU A C 1 -ATOM 3007 O O . LEU A 1 177 ? -5.534 16.586 -35.845 1.00 15.81 ? 167 LEU A O 1 -ATOM 3008 C CB . LEU A 1 177 ? -2.342 16.569 -35.202 1.00 18.25 ? 167 LEU A CB 1 -ATOM 3009 C CG . LEU A 1 177 ? -2.755 15.207 -34.720 1.00 19.18 ? 167 LEU A CG 1 -ATOM 3010 C CD1 . LEU A 1 177 ? -2.801 14.194 -35.769 1.00 22.07 ? 167 LEU A CD1 1 -ATOM 3011 C CD2 . LEU A 1 177 ? -1.824 14.793 -33.538 1.00 23.66 ? 167 LEU A CD2 1 -ATOM 3012 H H . LEU A 1 177 ? -1.884 18.559 -36.444 1.00 19.45 ? 167 LEU A H 1 -ATOM 3013 H HA . LEU A 1 177 ? -3.327 16.451 -36.987 1.00 20.25 ? 167 LEU A HA 1 -ATOM 3014 H HB2 . LEU A 1 177 ? -1.437 16.502 -35.544 1.00 21.89 ? 167 LEU A HB2 1 -ATOM 3015 H HB3 . LEU A 1 177 ? -2.366 17.173 -34.443 1.00 21.89 ? 167 LEU A HB3 1 -ATOM 3016 H HG . LEU A 1 177 ? -3.673 15.255 -34.410 1.00 23.02 ? 167 LEU A HG 1 -ATOM 3017 H HD11 . LEU A 1 177 ? -2.878 13.318 -35.359 1.00 26.49 ? 167 LEU A HD11 1 -ATOM 3018 H HD12 . LEU A 1 177 ? -3.569 14.362 -36.337 1.00 26.49 ? 167 LEU A HD12 1 -ATOM 3019 H HD13 . LEU A 1 177 ? -1.985 14.243 -36.291 1.00 26.49 ? 167 LEU A HD13 1 -ATOM 3020 H HD21 . LEU A 1 177 ? -2.090 13.917 -33.218 1.00 28.39 ? 167 LEU A HD21 1 -ATOM 3021 H HD22 . LEU A 1 177 ? -0.907 14.766 -33.852 1.00 28.39 ? 167 LEU A HD22 1 -ATOM 3022 H HD23 . LEU A 1 177 ? -1.911 15.445 -32.825 1.00 28.39 ? 167 LEU A HD23 1 -ATOM 3023 N N . HIS A 1 178 ? -4.773 18.551 -35.048 1.00 14.71 ? 168 HIS A N 1 -ATOM 3024 C CA . HIS A 1 178 ? -6.075 18.856 -34.433 1.00 14.19 ? 168 HIS A CA 1 -ATOM 3025 C C . HIS A 1 178 ? -7.177 18.816 -35.474 1.00 14.82 ? 168 HIS A C 1 -ATOM 3026 O O . HIS A 1 178 ? -8.227 18.225 -35.269 1.00 15.09 ? 168 HIS A O 1 -ATOM 3027 C CB . HIS A 1 178 ? -5.990 20.221 -33.726 1.00 14.57 ? 168 HIS A CB 1 -ATOM 3028 C CG . HIS A 1 178 ? -7.098 20.491 -32.764 1.00 13.59 ? 168 HIS A CG 1 -ATOM 3029 N ND1 . HIS A 1 178 ? -6.899 20.484 -31.401 1.00 14.19 ? 168 HIS A ND1 1 -ATOM 3030 C CD2 . HIS A 1 178 ? -8.412 20.734 -32.950 1.00 13.43 ? 168 HIS A CD2 1 -ATOM 3031 C CE1 . HIS A 1 178 ? -8.056 20.745 -30.806 1.00 14.89 ? 168 HIS A CE1 1 -ATOM 3032 N NE2 . HIS A 1 178 ? -9.001 20.890 -31.710 1.00 14.51 ? 168 HIS A NE2 1 -ATOM 3033 H H . HIS A 1 178 ? -4.163 19.141 -34.915 1.00 17.65 ? 168 HIS A H 1 -ATOM 3034 H HA . HIS A 1 178 ? -6.295 18.194 -33.760 1.00 17.03 ? 168 HIS A HA 1 -ATOM 3035 H HB2 . HIS A 1 178 ? -5.157 20.260 -33.231 1.00 17.48 ? 168 HIS A HB2 1 -ATOM 3036 H HB3 . HIS A 1 178 ? -6.009 20.919 -34.398 1.00 17.48 ? 168 HIS A HB3 1 -ATOM 3037 H HD1 . HIS A 1 178 ? -6.151 20.335 -31.003 1.00 17.02 ? 168 HIS A HD1 1 -ATOM 3038 H HD2 . HIS A 1 178 ? -8.846 20.788 -33.771 1.00 16.12 ? 168 HIS A HD2 1 -ATOM 3039 H HE1 . HIS A 1 178 ? -8.180 20.816 -29.887 1.00 17.86 ? 168 HIS A HE1 1 -ATOM 3040 N N . ARG A 1 179 ? -6.930 19.470 -36.637 1.00 14.75 ? 169 ARG A N 1 -ATOM 3041 C CA . ARG A 1 179 ? -7.937 19.523 -37.699 1.00 15.36 ? 169 ARG A CA 1 -ATOM 3042 C C . ARG A 1 179 ? -8.155 18.168 -38.322 1.00 16.14 ? 169 ARG A C 1 -ATOM 3043 O O . ARG A 1 179 ? -9.291 17.844 -38.662 1.00 17.41 ? 169 ARG A O 1 -ATOM 3044 C CB . ARG A 1 179 ? -7.515 20.546 -38.744 1.00 17.93 ? 169 ARG A CB 1 -ATOM 3045 C CG . ARG A 1 179 ? -8.440 20.653 -39.991 1.00 19.83 ? 169 ARG A CG 1 -ATOM 3046 C CD . ARG A 1 179 ? -9.819 21.096 -39.601 1.00 18.64 ? 169 ARG A CD 1 -ATOM 3047 N NE . ARG A 1 179 ? -10.652 21.177 -40.824 0.91 20.36 ? 169 ARG A NE 1 -ATOM 3048 C CZ . ARG A 1 179 ? -11.823 21.772 -40.869 0.70 16.70 ? 169 ARG A CZ 1 -ATOM 3049 N NH1 . ARG A 1 179 ? -12.340 22.354 -39.801 1.00 20.35 ? 169 ARG A NH1 1 -ATOM 3050 N NH2 . ARG A 1 179 ? -12.509 21.803 -42.008 0.79 20.76 ? 169 ARG A NH2 1 -ATOM 3051 H H . ARG A 1 179 ? -6.197 19.880 -36.823 1.00 17.70 ? 169 ARG A H 1 -ATOM 3052 H HA . ARG A 1 179 ? -8.785 19.805 -37.323 1.00 18.44 ? 169 ARG A HA 1 -ATOM 3053 H HB2 . ARG A 1 179 ? -7.495 21.420 -38.324 1.00 21.52 ? 169 ARG A HB2 1 -ATOM 3054 H HB3 . ARG A 1 179 ? -6.630 20.310 -39.062 1.00 21.52 ? 169 ARG A HB3 1 -ATOM 3055 H HG2 . ARG A 1 179 ? -8.074 21.302 -40.611 1.00 23.80 ? 169 ARG A HG2 1 -ATOM 3056 H HG3 . ARG A 1 179 ? -8.507 19.785 -40.420 1.00 23.80 ? 169 ARG A HG3 1 -ATOM 3057 H HD2 . ARG A 1 179 ? -10.214 20.454 -38.990 1.00 22.37 ? 169 ARG A HD2 1 -ATOM 3058 H HD3 . ARG A 1 179 ? -9.782 21.970 -39.183 1.00 22.37 ? 169 ARG A HD3 1 -ATOM 3059 H HE . ARG A 1 179 ? -10.352 20.815 -41.545 0.94 24.44 ? 169 ARG A HE 1 -ATOM 3060 H HH11 . ARG A 1 179 ? -11.909 22.349 -39.057 1.00 24.42 ? 169 ARG A HH11 1 -ATOM 3061 H HH12 . ARG A 1 179 ? -13.108 22.738 -39.850 1.00 24.42 ? 169 ARG A HH12 1 -ATOM 3062 H HH21 . ARG A 1 179 ? -12.186 21.435 -42.715 0.84 24.91 ? 169 ARG A HH21 1 -ATOM 3063 H HH22 . ARG A 1 179 ? -13.275 22.192 -42.038 0.84 24.91 ? 169 ARG A HH22 1 -ATOM 3064 N N . LYS A 1 180 ? -7.113 17.367 -38.478 1.00 15.50 ? 170 LYS A N 1 -ATOM 3065 C CA . LYS A 1 180 ? -7.266 16.027 -39.022 1.00 16.18 ? 170 LYS A CA 1 -ATOM 3066 C C . LYS A 1 180 ? -8.154 15.184 -38.112 1.00 16.83 ? 170 LYS A C 1 -ATOM 3067 O O . LYS A 1 180 ? -8.998 14.415 -38.576 1.00 18.26 ? 170 LYS A O 1 -ATOM 3068 C CB . LYS A 1 180 ? -5.931 15.360 -39.212 1.00 18.26 ? 170 LYS A CB 1 -ATOM 3069 C CG . LYS A 1 180 ? -5.102 15.969 -40.334 0.91 20.92 ? 170 LYS A CG 1 -ATOM 3070 C CD . LYS A 1 180 ? -3.747 15.312 -40.453 0.97 29.52 ? 170 LYS A CD 1 -ATOM 3071 C CE . LYS A 1 180 ? -2.912 15.822 -41.649 1.00 33.57 ? 170 LYS A CE 1 -ATOM 3072 N NZ . LYS A 1 180 ? -1.579 15.197 -41.500 0.56 29.19 ? 170 LYS A NZ 1 -ATOM 3073 H H . LYS A 1 180 ? -6.303 17.574 -38.277 1.00 18.60 ? 170 LYS A H 1 -ATOM 3074 H HA . LYS A 1 180 ? -7.678 16.094 -39.898 1.00 19.42 ? 170 LYS A HA 1 -ATOM 3075 H HB2 . LYS A 1 180 ? -5.423 15.440 -38.390 1.00 21.91 ? 170 LYS A HB2 1 -ATOM 3076 H HB3 . LYS A 1 180 ? -6.076 14.425 -39.423 1.00 21.91 ? 170 LYS A HB3 1 -ATOM 3077 H HG2 . LYS A 1 180 ? -5.569 15.853 -41.176 0.89 25.11 ? 170 LYS A HG2 1 -ATOM 3078 H HG3 . LYS A 1 180 ? -4.967 16.913 -40.156 0.88 25.11 ? 170 LYS A HG3 1 -ATOM 3079 H HD2 . LYS A 1 180 ? -3.242 15.488 -39.643 0.97 35.42 ? 170 LYS A HD2 1 -ATOM 3080 H HD3 . LYS A 1 180 ? -3.871 14.357 -40.565 0.98 35.42 ? 170 LYS A HD3 1 -ATOM 3081 H HE2 . LYS A 1 180 ? -3.312 15.548 -42.489 1.00 40.28 ? 170 LYS A HE2 1 -ATOM 3082 H HE3 . LYS A 1 180 ? -2.827 16.788 -41.621 1.00 40.28 ? 170 LYS A HE3 1 -ATOM 3083 H HZ1 . LYS A 1 180 ? -1.212 15.441 -40.726 0.52 35.02 ? 170 LYS A HZ1 1 -ATOM 3084 H HZ2 . LYS A 1 180 ? -1.655 14.310 -41.516 0.52 35.02 ? 170 LYS A HZ2 1 -ATOM 3085 H HZ3 . LYS A 1 180 ? -1.046 15.453 -42.165 0.52 35.02 ? 170 LYS A HZ3 1 -ATOM 3086 N N . LEU A 1 181 ? -7.993 15.308 -36.778 1.00 15.03 ? 171 LEU A N 1 -ATOM 3087 C CA . LEU A 1 181 ? -8.727 14.463 -35.836 1.00 15.13 ? 171 LEU A CA 1 -ATOM 3088 C C . LEU A 1 181 ? -10.085 15.032 -35.473 1.00 14.47 ? 171 LEU A C 1 -ATOM 3089 O O . LEU A 1 181 ? -10.953 14.286 -34.989 1.00 15.46 ? 171 LEU A O 1 -ATOM 3090 C CB . LEU A 1 181 ? -7.883 14.281 -34.580 1.00 15.33 ? 171 LEU A CB 1 -ATOM 3091 C CG . LEU A 1 181 ? -6.603 13.560 -34.792 1.00 17.80 ? 171 LEU A CG 1 -ATOM 3092 C CD1 . LEU A 1 181 ? -5.837 13.555 -33.437 1.00 21.67 ? 171 LEU A CD1 1 -ATOM 3093 C CD2 . LEU A 1 181 ? -6.786 12.175 -35.255 1.00 26.61 ? 171 LEU A CD2 1 -ATOM 3094 H H . LEU A 1 181 ? -7.465 15.874 -36.403 1.00 18.04 ? 171 LEU A H 1 -ATOM 3095 H HA . LEU A 1 181 ? -8.883 13.588 -36.225 1.00 18.16 ? 171 LEU A HA 1 -ATOM 3096 H HB2 . LEU A 1 181 ? -7.669 15.157 -34.223 1.00 18.40 ? 171 LEU A HB2 1 -ATOM 3097 H HB3 . LEU A 1 181 ? -8.399 13.776 -33.932 1.00 18.40 ? 171 LEU A HB3 1 -ATOM 3098 H HG . LEU A 1 181 ? -6.102 14.011 -35.490 1.00 21.36 ? 171 LEU A HG 1 -ATOM 3099 H HD11 . LEU A 1 181 ? -4.992 13.093 -33.553 1.00 26.00 ? 171 LEU A HD11 1 -ATOM 3100 H HD12 . LEU A 1 181 ? -5.677 14.471 -33.161 1.00 26.00 ? 171 LEU A HD12 1 -ATOM 3101 H HD13 . LEU A 1 181 ? -6.375 13.099 -32.771 1.00 26.00 ? 171 LEU A HD13 1 -ATOM 3102 H HD21 . LEU A 1 181 ? -5.935 11.712 -35.209 1.00 31.93 ? 171 LEU A HD21 1 -ATOM 3103 H HD22 . LEU A 1 181 ? -7.433 11.734 -34.683 1.00 31.93 ? 171 LEU A HD22 1 -ATOM 3104 H HD23 . LEU A 1 181 ? -7.107 12.187 -36.170 1.00 31.93 ? 171 LEU A HD23 1 -ATOM 3105 N N . ARG A 1 182 ? -10.309 16.324 -35.693 1.00 14.44 ? 172 ARG A N 1 -ATOM 3106 C CA . ARG A 1 182 ? -11.513 17.049 -35.271 1.00 15.36 ? 172 ARG A CA 1 -ATOM 3107 C C . ARG A 1 182 ? -11.984 17.856 -36.478 1.00 16.65 ? 172 ARG A C 1 -ATOM 3108 O O . ARG A 1 182 ? -11.844 19.077 -36.527 1.00 16.03 ? 172 ARG A O 1 -ATOM 3109 C CB . ARG A 1 182 ? -11.227 17.919 -34.047 1.00 14.93 ? 172 ARG A CB 1 -ATOM 3110 C CG . ARG A 1 182 ? -10.549 17.103 -32.930 1.00 14.04 ? 172 ARG A CG 1 -ATOM 3111 C CD . ARG A 1 182 ? -10.448 17.867 -31.618 1.00 15.15 ? 172 ARG A CD 1 -ATOM 3112 N NE . ARG A 1 182 ? -11.805 18.034 -31.068 1.00 15.22 ? 172 ARG A NE 1 -ATOM 3113 C CZ . ARG A 1 182 ? -12.451 19.183 -30.883 1.00 15.25 ? 172 ARG A CZ 1 -ATOM 3114 N NH1 . ARG A 1 182 ? -11.868 20.348 -31.065 1.00 14.87 ? 172 ARG A NH1 1 -ATOM 3115 N NH2 . ARG A 1 182 ? -13.757 19.121 -30.546 1.00 16.02 ? 172 ARG A NH2 1 -ATOM 3116 H H . ARG A 1 182 ? -9.751 16.832 -36.105 1.00 17.33 ? 172 ARG A H 1 -ATOM 3117 H HA . ARG A 1 182 ? -12.221 16.439 -35.012 1.00 18.43 ? 172 ARG A HA 1 -ATOM 3118 H HB2 . ARG A 1 182 ? -10.636 18.645 -34.299 1.00 17.92 ? 172 ARG A HB2 1 -ATOM 3119 H HB3 . ARG A 1 182 ? -12.062 18.274 -33.704 1.00 17.92 ? 172 ARG A HB3 1 -ATOM 3120 H HG2 . ARG A 1 182 ? -11.066 16.298 -32.768 1.00 16.85 ? 172 ARG A HG2 1 -ATOM 3121 H HG3 . ARG A 1 182 ? -9.650 16.869 -33.210 1.00 16.85 ? 172 ARG A HG3 1 -ATOM 3122 H HD2 . ARG A 1 182 ? -9.908 17.370 -30.984 1.00 18.19 ? 172 ARG A HD2 1 -ATOM 3123 H HD3 . ARG A 1 182 ? -10.058 18.742 -31.771 1.00 18.19 ? 172 ARG A HD3 1 -ATOM 3124 H HE . ARG A 1 182 ? -12.223 17.316 -30.845 1.00 18.26 ? 172 ARG A HE 1 -ATOM 3125 H HH11 . ARG A 1 182 ? -11.045 20.383 -31.311 1.00 17.85 ? 172 ARG A HH11 1 -ATOM 3126 H HH12 . ARG A 1 182 ? -12.310 21.074 -30.937 1.00 17.85 ? 172 ARG A HH12 1 -ATOM 3127 H HH21 . ARG A 1 182 ? -14.143 18.358 -30.458 1.00 19.22 ? 172 ARG A HH21 1 -ATOM 3128 H HH22 . ARG A 1 182 ? -14.203 19.845 -30.418 1.00 19.22 ? 172 ARG A HH22 1 -ATOM 3129 N N . PRO A 1 183 ? -12.560 17.179 -37.467 1.00 16.51 ? 173 PRO A N 1 -ATOM 3130 C CA . PRO A 1 183 ? -12.758 17.788 -38.794 1.00 15.91 ? 173 PRO A CA 1 -ATOM 3131 C C . PRO A 1 183 ? -13.825 18.842 -38.819 1.00 17.73 ? 173 PRO A C 1 -ATOM 3132 O O . PRO A 1 183 ? -13.948 19.528 -39.849 1.00 20.77 ? 173 PRO A O 1 -ATOM 3133 C CB . PRO A 1 183 ? -13.121 16.576 -39.667 1.00 18.74 ? 173 PRO A CB 1 -ATOM 3134 C CG . PRO A 1 183 ? -13.742 15.596 -38.693 1.00 20.41 ? 173 PRO A CG 1 -ATOM 3135 C CD . PRO A 1 183 ? -12.900 15.753 -37.440 1.00 18.35 ? 173 PRO A CD 1 -ATOM 3136 H HA . PRO A 1 183 ? -11.934 18.178 -39.123 1.00 19.10 ? 173 PRO A HA 1 -ATOM 3137 H HB2 . PRO A 1 183 ? -13.755 16.837 -40.354 1.00 22.49 ? 173 PRO A HB2 1 -ATOM 3138 H HB3 . PRO A 1 183 ? -12.322 16.207 -40.075 1.00 22.49 ? 173 PRO A HB3 1 -ATOM 3139 H HG2 . PRO A 1 183 ? -14.668 15.830 -38.525 1.00 24.49 ? 173 PRO A HG2 1 -ATOM 3140 H HG3 . PRO A 1 183 ? -13.686 14.693 -39.043 1.00 24.49 ? 173 PRO A HG3 1 -ATOM 3141 H HD2 . PRO A 1 183 ? -13.411 15.531 -36.646 1.00 22.02 ? 173 PRO A HD2 1 -ATOM 3142 H HD3 . PRO A 1 183 ? -12.102 15.203 -37.484 1.00 22.02 ? 173 PRO A HD3 1 -ATOM 3143 N N . ASP A 1 184 ? -14.589 19.016 -37.754 1.00 16.83 ? 174 ASP A N 1 -ATOM 3144 C CA . ASP A 1 184 ? -15.603 20.044 -37.645 1.00 17.62 ? 174 ASP A CA 1 -ATOM 3145 C C . ASP A 1 184 ? -15.039 21.372 -37.208 1.00 18.66 ? 174 ASP A C 1 -ATOM 3146 O O . ASP A 1 184 ? -15.772 22.365 -37.245 1.00 21.15 ? 174 ASP A O 1 -ATOM 3147 C CB . ASP A 1 184 ? -16.651 19.627 -36.580 1.00 17.72 ? 174 ASP A CB 1 -ATOM 3148 C CG . ASP A 1 184 ? -17.260 18.324 -36.912 1.00 17.86 ? 174 ASP A CG 1 -ATOM 3149 O OD1 . ASP A 1 184 ? -18.078 18.254 -37.850 1.00 21.80 ? 174 ASP A OD1 1 -ATOM 3150 O OD2 . ASP A 1 184 ? -16.927 17.331 -36.246 1.00 21.03 ? 174 ASP A OD2 1 -ATOM 3151 H H . ASP A 1 184 ? -14.537 18.527 -37.049 1.00 20.19 ? 174 ASP A H 1 -ATOM 3152 H HA . ASP A 1 184 ? -16.031 20.142 -38.511 1.00 21.14 ? 174 ASP A HA 1 -ATOM 3153 H HB2 . ASP A 1 184 ? -16.219 19.551 -35.715 1.00 21.26 ? 174 ASP A HB2 1 -ATOM 3154 H HB3 . ASP A 1 184 ? -17.355 20.293 -36.543 1.00 21.26 ? 174 ASP A HB3 1 -ATOM 3155 N N . THR A 1 185 ? -13.802 21.415 -36.728 1.00 15.82 ? 175 THR A N 1 -ATOM 3156 C CA . THR A 1 185 ? -13.351 22.579 -35.989 1.00 15.75 ? 175 THR A CA 1 -ATOM 3157 C C . THR A 1 185 ? -11.857 22.743 -36.130 1.00 16.00 ? 175 THR A C 1 -ATOM 3158 O O . THR A 1 185 ? -11.293 22.313 -37.139 1.00 16.61 ? 175 THR A O 1 -ATOM 3159 C CB . THR A 1 185 ? -13.907 22.485 -34.557 1.00 15.43 ? 175 THR A CB 1 -ATOM 3160 O OG1 . THR A 1 185 ? -13.567 23.704 -33.872 1.00 16.44 ? 175 THR A OG1 1 -ATOM 3161 C CG2 . THR A 1 185 ? -13.387 21.280 -33.783 1.00 15.42 ? 175 THR A CG2 1 -ATOM 3162 H H . THR A 1 185 ? -13.216 20.791 -36.817 1.00 18.99 ? 175 THR A H 1 -ATOM 3163 H HA . THR A 1 185 ? -13.697 23.416 -36.337 1.00 18.91 ? 175 THR A HA 1 -ATOM 3164 H HB . THR A 1 185 ? -14.868 22.363 -34.596 1.00 18.52 ? 175 THR A HB 1 -ATOM 3165 H HG1 . THR A 1 185 ? -13.831 23.669 -33.075 1.00 19.73 ? 175 THR A HG1 1 -ATOM 3166 H HG21 . THR A 1 185 ? -13.760 21.275 -32.887 1.00 18.50 ? 175 THR A HG21 1 -ATOM 3167 H HG22 . THR A 1 185 ? -13.642 20.461 -34.235 1.00 18.50 ? 175 THR A HG22 1 -ATOM 3168 H HG23 . THR A 1 185 ? -12.420 21.318 -33.721 1.00 18.50 ? 175 THR A HG23 1 -ATOM 3169 N N . SER A 1 186 ? -11.191 23.381 -35.167 1.00 16.36 ? 176 SER A N 1 -ATOM 3170 C CA . SER A 1 186 ? -9.781 23.702 -35.312 1.00 16.12 ? 176 SER A CA 1 -ATOM 3171 C C . SER A 1 186 ? -9.211 24.004 -33.955 1.00 15.75 ? 176 SER A C 1 -ATOM 3172 O O . SER A 1 186 ? -9.952 24.336 -33.002 1.00 15.60 ? 176 SER A O 1 -ATOM 3173 C CB . SER A 1 186 ? -9.587 24.908 -36.210 1.00 16.76 ? 176 SER A CB 1 -ATOM 3174 O OG . SER A 1 186 ? -10.182 26.057 -35.620 1.00 18.40 ? 176 SER A OG 1 -ATOM 3175 H H . SER A 1 186 ? -11.538 23.637 -34.422 1.00 19.63 ? 176 SER A H 1 -ATOM 3176 H HA . SER A 1 186 ? -9.320 22.936 -35.690 1.00 19.35 ? 176 SER A HA 1 -ATOM 3177 H HB2 . SER A 1 186 ? -8.637 25.067 -36.329 1.00 20.12 ? 176 SER A HB2 1 -ATOM 3178 H HB3 . SER A 1 186 ? -10.005 24.737 -37.068 1.00 20.12 ? 176 SER A HB3 1 -ATOM 3179 H HG . SER A 1 186 ? -10.083 26.722 -36.123 1.00 22.08 ? 176 SER A HG 1 -ATOM 3180 N N . PHE A 1 187 ? -7.891 23.931 -33.861 1.00 15.84 ? 177 PHE A N 1 -ATOM 3181 C CA . PHE A 1 187 ? -7.234 24.321 -32.620 1.00 16.52 ? 177 PHE A CA 1 -ATOM 3182 C C . PHE A 1 187 ? -7.499 25.792 -32.329 1.00 17.10 ? 177 PHE A C 1 -ATOM 3183 O O . PHE A 1 187 ? -7.735 26.168 -31.186 1.00 17.16 ? 177 PHE A O 1 -ATOM 3184 C CB . PHE A 1 187 ? -5.734 24.055 -32.702 1.00 16.95 ? 177 PHE A CB 1 -ATOM 3185 C CG . PHE A 1 187 ? -5.017 24.520 -31.466 1.00 18.37 ? 177 PHE A CG 1 -ATOM 3186 C CD1 . PHE A 1 187 ? -5.061 23.830 -30.321 1.00 20.83 ? 177 PHE A CD1 1 -ATOM 3187 C CD2 . PHE A 1 187 ? -4.358 25.718 -31.523 1.00 23.95 ? 177 PHE A CD2 1 -ATOM 3188 C CE1 . PHE A 1 187 ? -4.428 24.321 -29.153 1.00 21.32 ? 177 PHE A CE1 1 -ATOM 3189 C CE2 . PHE A 1 187 ? -3.707 26.205 -30.371 1.00 28.46 ? 177 PHE A CE2 1 -ATOM 3190 C CZ . PHE A 1 187 ? -3.740 25.480 -29.238 1.00 23.62 ? 177 PHE A CZ 1 -ATOM 3191 H H . PHE A 1 187 ? -7.363 23.665 -34.485 1.00 19.00 ? 177 PHE A H 1 -ATOM 3192 H HA . PHE A 1 187 ? -7.585 23.786 -31.892 1.00 19.83 ? 177 PHE A HA 1 -ATOM 3193 H HB2 . PHE A 1 187 ? -5.584 23.102 -32.800 1.00 20.35 ? 177 PHE A HB2 1 -ATOM 3194 H HB3 . PHE A 1 187 ? -5.366 24.529 -33.464 1.00 20.35 ? 177 PHE A HB3 1 -ATOM 3195 H HD1 . PHE A 1 187 ? -5.514 23.018 -30.291 1.00 25.00 ? 177 PHE A HD1 1 -ATOM 3196 H HD2 . PHE A 1 187 ? -4.340 26.206 -32.315 1.00 28.73 ? 177 PHE A HD2 1 -ATOM 3197 H HE1 . PHE A 1 187 ? -4.485 23.857 -28.349 1.00 25.59 ? 177 PHE A HE1 1 -ATOM 3198 H HE2 . PHE A 1 187 ? -3.259 27.019 -30.394 1.00 34.16 ? 177 PHE A HE2 1 -ATOM 3199 H HZ . PHE A 1 187 ? -3.275 25.786 -28.492 1.00 28.34 ? 177 PHE A HZ 1 -ATOM 3200 N N . GLU A 1 188 ? -7.492 26.647 -33.362 1.00 17.04 ? 178 GLU A N 1 -ATOM 3201 C CA . GLU A 1 188 ? -7.808 28.060 -33.145 1.00 18.15 ? 178 GLU A CA 1 -ATOM 3202 C C . GLU A 1 188 ? -9.160 28.228 -32.487 1.00 17.91 ? 178 GLU A C 1 -ATOM 3203 O O . GLU A 1 188 ? -9.293 29.028 -31.561 1.00 17.80 ? 178 GLU A O 1 -ATOM 3204 C CB . GLU A 1 188 ? -7.761 28.770 -34.496 1.00 20.38 ? 178 GLU A CB 1 -ATOM 3205 C CG . GLU A 1 188 ? -8.205 30.247 -34.468 1.00 27.30 ? 178 GLU A CG 1 -ATOM 3206 C CD . GLU A 1 188 ? -8.187 30.909 -35.877 0.76 32.55 ? 178 GLU A CD 1 -ATOM 3207 O OE1 . GLU A 1 188 ? -7.788 30.254 -36.853 0.63 34.22 ? 178 GLU A OE1 1 -ATOM 3208 O OE2 . GLU A 1 188 ? -8.583 32.087 -35.985 0.72 32.33 ? 178 GLU A OE2 1 -ATOM 3209 H H . GLU A 1 188 ? -7.312 26.437 -34.176 1.00 20.45 ? 178 GLU A H 1 -ATOM 3210 H HA . GLU A 1 188 ? -7.154 28.463 -32.553 1.00 21.78 ? 178 GLU A HA 1 -ATOM 3211 H HB2 . GLU A 1 188 ? -6.849 28.746 -34.825 1.00 24.46 ? 178 GLU A HB2 1 -ATOM 3212 H HB3 . GLU A 1 188 ? -8.347 28.301 -35.111 1.00 24.46 ? 178 GLU A HB3 1 -ATOM 3213 H HG2 . GLU A 1 188 ? -9.111 30.297 -34.125 1.00 32.76 ? 178 GLU A HG2 1 -ATOM 3214 H HG3 . GLU A 1 188 ? -7.604 30.746 -33.894 1.00 32.76 ? 178 GLU A HG3 1 -ATOM 3215 N N . ASN A 1 189 ? -10.178 27.491 -32.924 1.00 16.85 ? 179 ASN A N 1 -ATOM 3216 C CA A ASN A 1 189 ? -11.495 27.583 -32.287 0.58 19.45 ? 179 ASN A CA 1 -ATOM 3217 C CA B ASN A 1 189 ? -11.463 27.666 -32.264 0.42 14.99 ? 179 ASN A CA 1 -ATOM 3218 C C . ASN A 1 189 ? -11.410 27.162 -30.838 1.00 18.07 ? 179 ASN A C 1 -ATOM 3219 O O . ASN A 1 189 ? -11.966 27.817 -29.948 1.00 18.18 ? 179 ASN A O 1 -ATOM 3220 C CB A ASN A 1 189 ? -12.513 26.664 -32.991 0.58 19.73 ? 179 ASN A CB 1 -ATOM 3221 C CB B ASN A 1 189 ? -12.631 27.048 -33.042 0.42 15.31 ? 179 ASN A CB 1 -ATOM 3222 C CG A ASN A 1 189 ? -13.050 27.237 -34.274 0.58 20.73 ? 179 ASN A CG 1 -ATOM 3223 C CG B ASN A 1 189 ? -13.968 27.593 -32.564 0.42 18.49 ? 179 ASN A CG 1 -ATOM 3224 O OD1 A ASN A 1 189 ? -12.799 28.391 -34.620 0.58 24.47 ? 179 ASN A OD1 1 -ATOM 3225 O OD1 B ASN A 1 189 ? -14.249 28.795 -32.716 0.42 26.37 ? 179 ASN A OD1 1 -ATOM 3226 N ND2 A ASN A 1 189 ? -13.811 26.408 -35.010 0.58 21.55 ? 179 ASN A ND2 1 -ATOM 3227 N ND2 B ASN A 1 189 ? -14.796 26.735 -31.969 0.42 16.91 ? 179 ASN A ND2 1 -ATOM 3228 H H A ASN A 1 189 ? -10.137 26.936 -33.580 0.58 20.22 ? 179 ASN A H 1 -ATOM 3229 H H B ASN A 1 189 ? -10.151 26.917 -33.564 0.42 20.22 ? 179 ASN A H 1 -ATOM 3230 H HA A ASN A 1 189 ? -11.794 28.503 -32.359 0.58 23.34 ? 179 ASN A HA 1 -ATOM 3231 H HA B ASN A 1 189 ? -11.653 28.618 -32.250 0.42 17.98 ? 179 ASN A HA 1 -ATOM 3232 H HB2 A ASN A 1 189 ? -12.082 25.821 -33.199 0.58 23.68 ? 179 ASN A HB2 1 -ATOM 3233 H HB2 B ASN A 1 189 ? -12.536 27.256 -33.984 0.42 18.38 ? 179 ASN A HB2 1 -ATOM 3234 H HB3 A ASN A 1 189 ? -13.264 26.515 -32.395 0.58 23.68 ? 179 ASN A HB3 1 -ATOM 3235 H HB3 B ASN A 1 189 ? -12.630 26.086 -32.913 0.42 18.38 ? 179 ASN A HB3 1 -ATOM 3236 H HD21 A ASN A 1 189 ? -14.146 26.679 -35.754 0.58 25.86 ? 179 ASN A HD21 1 -ATOM 3237 H HD21 B ASN A 1 189 ? -15.562 27.004 -31.684 0.42 20.30 ? 179 ASN A HD21 1 -ATOM 3238 H HD22 A ASN A 1 189 ? -13.963 25.607 -34.737 0.58 25.86 ? 179 ASN A HD22 1 -ATOM 3239 H HD22 B ASN A 1 189 ? -14.565 25.912 -31.870 0.42 20.30 ? 179 ASN A HD22 1 -ATOM 3240 N N . ARG A 1 190 ? -10.770 26.025 -30.606 1.00 16.49 ? 180 ARG A N 1 -ATOM 3241 C CA . ARG A 1 190 ? -10.691 25.475 -29.262 1.00 15.82 ? 180 ARG A CA 1 -ATOM 3242 C C . ARG A 1 190 ? -10.000 26.475 -28.332 1.00 15.08 ? 180 ARG A C 1 -ATOM 3243 O O . ARG A 1 190 ? -10.439 26.727 -27.188 1.00 15.55 ? 180 ARG A O 1 -ATOM 3244 C CB . ARG A 1 190 ? -9.909 24.154 -29.315 1.00 17.32 ? 180 ARG A CB 1 -ATOM 3245 C CG . ARG A 1 190 ? -10.059 23.255 -28.067 1.00 20.29 ? 180 ARG A CG 1 -ATOM 3246 C CD . ARG A 1 190 ? -11.112 22.356 -28.231 1.00 17.85 ? 180 ARG A CD 1 -ATOM 3247 N NE . ARG A 1 190 ? -11.308 21.313 -27.191 1.00 14.56 ? 180 ARG A NE 1 -ATOM 3248 C CZ . ARG A 1 190 ? -12.457 20.689 -27.056 1.00 13.40 ? 180 ARG A CZ 1 -ATOM 3249 N NH1 . ARG A 1 190 ? -13.505 20.969 -27.827 1.00 14.54 ? 180 ARG A NH1 1 -ATOM 3250 N NH2 . ARG A 1 190 ? -12.590 19.783 -26.098 1.00 14.10 ? 180 ARG A NH2 1 -ATOM 3251 H H . ARG A 1 190 ? -10.374 25.554 -31.207 1.00 19.78 ? 180 ARG A H 1 -ATOM 3252 H HA . ARG A 1 190 ? -11.579 25.295 -28.917 1.00 18.98 ? 180 ARG A HA 1 -ATOM 3253 H HB2 . ARG A 1 190 ? -10.219 23.645 -30.080 1.00 20.79 ? 180 ARG A HB2 1 -ATOM 3254 H HB3 . ARG A 1 190 ? -8.966 24.360 -29.413 1.00 20.79 ? 180 ARG A HB3 1 -ATOM 3255 H HG2 . ARG A 1 190 ? -9.241 22.750 -27.931 1.00 24.35 ? 180 ARG A HG2 1 -ATOM 3256 H HG3 . ARG A 1 190 ? -10.242 23.806 -27.290 1.00 24.35 ? 180 ARG A HG3 1 -ATOM 3257 H HD2 . ARG A 1 190 ? -11.935 22.868 -28.268 1.00 21.42 ? 180 ARG A HD2 1 -ATOM 3258 H HD3 . ARG A 1 190 ? -10.974 21.888 -29.069 1.00 21.42 ? 180 ARG A HD3 1 -ATOM 3259 H HE . ARG A 1 190 ? -10.656 21.113 -26.666 1.00 17.47 ? 180 ARG A HE 1 -ATOM 3260 H HH11 . ARG A 1 190 ? -13.442 21.573 -28.435 1.00 17.45 ? 180 ARG A HH11 1 -ATOM 3261 H HH12 . ARG A 1 190 ? -14.245 20.545 -27.717 1.00 17.45 ? 180 ARG A HH12 1 -ATOM 3262 H HH21 . ARG A 1 190 ? -11.930 19.610 -25.575 1.00 16.91 ? 180 ARG A HH21 1 -ATOM 3263 H HH22 . ARG A 1 190 ? -13.337 19.368 -26.000 1.00 16.91 ? 180 ARG A HH22 1 -ATOM 3264 N N . LEU A 1 191 ? -8.880 27.026 -28.769 1.00 15.44 ? 181 LEU A N 1 -ATOM 3265 C CA . LEU A 1 191 ? -8.187 28.027 -27.984 1.00 16.84 ? 181 LEU A CA 1 -ATOM 3266 C C . LEU A 1 191 ? -9.027 29.287 -27.765 1.00 16.31 ? 181 LEU A C 1 -ATOM 3267 O O . LEU A 1 191 ? -9.084 29.814 -26.645 1.00 16.84 ? 181 LEU A O 1 -ATOM 3268 C CB . LEU A 1 191 ? -6.867 28.371 -28.656 1.00 18.34 ? 181 LEU A CB 1 -ATOM 3269 C CG . LEU A 1 191 ? -6.082 29.534 -28.038 1.00 19.33 ? 181 LEU A CG 1 -ATOM 3270 C CD1 . LEU A 1 191 ? -5.744 29.236 -26.615 1.00 23.20 ? 181 LEU A CD1 1 -ATOM 3271 C CD2 . LEU A 1 191 ? -4.829 29.752 -28.848 1.00 26.11 ? 181 LEU A CD2 1 -ATOM 3272 H H . LEU A 1 191 ? -8.500 26.837 -29.517 1.00 18.53 ? 181 LEU A H 1 -ATOM 3273 H HA . LEU A 1 191 ? -8.005 27.656 -27.106 1.00 20.21 ? 181 LEU A HA 1 -ATOM 3274 H HB2 . LEU A 1 191 ? -6.296 27.587 -28.620 1.00 22.00 ? 181 LEU A HB2 1 -ATOM 3275 H HB3 . LEU A 1 191 ? -7.050 28.605 -29.579 1.00 22.00 ? 181 LEU A HB3 1 -ATOM 3276 H HG . LEU A 1 191 ? -6.615 30.345 -28.047 1.00 23.19 ? 181 LEU A HG 1 -ATOM 3277 H HD11 . LEU A 1 191 ? -5.153 29.927 -26.279 1.00 27.84 ? 181 LEU A HD11 1 -ATOM 3278 H HD12 . LEU A 1 191 ? -6.562 29.218 -26.094 1.00 27.84 ? 181 LEU A HD12 1 -ATOM 3279 H HD13 . LEU A 1 191 ? -5.304 28.373 -26.570 1.00 27.84 ? 181 LEU A HD13 1 -ATOM 3280 H HD21 . LEU A 1 191 ? -4.321 30.478 -28.454 1.00 31.33 ? 181 LEU A HD21 1 -ATOM 3281 H HD22 . LEU A 1 191 ? -4.302 28.938 -28.840 1.00 31.33 ? 181 LEU A HD22 1 -ATOM 3282 H HD23 . LEU A 1 191 ? -5.077 29.977 -29.759 1.00 31.33 ? 181 LEU A HD23 1 -ATOM 3283 N N . ASN A 1 192 ? -9.741 29.757 -28.783 1.00 16.83 ? 182 ASN A N 1 -ATOM 3284 C CA . ASN A 1 192 ? -10.603 30.907 -28.590 1.00 18.04 ? 182 ASN A CA 1 -ATOM 3285 C C . ASN A 1 192 ? -11.645 30.640 -27.526 1.00 17.20 ? 182 ASN A C 1 -ATOM 3286 O O . ASN A 1 192 ? -11.946 31.521 -26.717 1.00 17.18 ? 182 ASN A O 1 -ATOM 3287 C CB . ASN A 1 192 ? -11.251 31.290 -29.907 1.00 18.85 ? 182 ASN A CB 1 -ATOM 3288 C CG . ASN A 1 192 ? -10.290 32.007 -30.795 1.00 26.15 ? 182 ASN A CG 1 -ATOM 3289 O OD1 . ASN A 1 192 ? -9.310 32.613 -30.307 1.00 28.13 ? 182 ASN A OD1 1 -ATOM 3290 N ND2 . ASN A 1 192 ? -10.561 31.998 -32.092 1.00 30.94 ? 182 ASN A ND2 1 -ATOM 3291 H H . ASN A 1 192 ? -9.742 29.432 -29.579 1.00 20.19 ? 182 ASN A H 1 -ATOM 3292 H HA . ASN A 1 192 ? -10.068 31.659 -28.292 1.00 21.65 ? 182 ASN A HA 1 -ATOM 3293 H HB2 . ASN A 1 192 ? -11.550 30.488 -30.363 1.00 22.62 ? 182 ASN A HB2 1 -ATOM 3294 H HB3 . ASN A 1 192 ? -12.006 31.875 -29.736 1.00 22.62 ? 182 ASN A HB3 1 -ATOM 3295 H HD21 . ASN A 1 192 ? -10.036 32.398 -32.644 1.00 37.13 ? 182 ASN A HD21 1 -ATOM 3296 H HD22 . ASN A 1 192 ? -11.261 31.592 -32.383 1.00 37.13 ? 182 ASN A HD22 1 -ATOM 3297 N N . CYS A 1 193 ? -12.214 29.442 -27.499 1.00 15.78 ? 183 CYS A N 1 -ATOM 3298 C CA . CYS A 1 193 ? -13.152 29.079 -26.433 1.00 15.60 ? 183 CYS A CA 1 -ATOM 3299 C C . CYS A 1 193 ? -12.469 29.127 -25.071 1.00 15.96 ? 183 CYS A C 1 -ATOM 3300 O O . CYS A 1 193 ? -13.009 29.728 -24.135 1.00 16.27 ? 183 CYS A O 1 -ATOM 3301 C CB . CYS A 1 193 ? -13.726 27.684 -26.684 1.00 14.69 ? 183 CYS A CB 1 -ATOM 3302 S SG . CYS A 1 193 ? -14.872 27.560 -28.068 1.00 17.55 ? 183 CYS A SG 1 -ATOM 3303 H H . CYS A 1 193 ? -12.079 28.822 -28.080 1.00 18.93 ? 183 CYS A H 1 -ATOM 3304 H HA . CYS A 1 193 ? -13.884 29.715 -26.437 1.00 18.72 ? 183 CYS A HA 1 -ATOM 3305 H HB2 . CYS A 1 193 ? -12.990 27.077 -26.862 1.00 17.63 ? 183 CYS A HB2 1 -ATOM 3306 H HB3 . CYS A 1 193 ? -14.203 27.402 -25.887 1.00 17.63 ? 183 CYS A HB3 1 -ATOM 3307 H HG . CYS A 1 193 ? -14.310 27.900 -29.073 1.00 21.06 ? 183 CYS A HG 1 -ATOM 3308 N N . LEU A 1 194 ? -11.285 28.527 -24.955 1.00 14.25 ? 184 LEU A N 1 -ATOM 3309 C CA . LEU A 1 194 ? -10.549 28.566 -23.674 1.00 15.10 ? 184 LEU A CA 1 -ATOM 3310 C C . LEU A 1 194 ? -10.252 29.990 -23.251 1.00 15.98 ? 184 LEU A C 1 -ATOM 3311 O O . LEU A 1 194 ? -10.411 30.328 -22.046 1.00 16.97 ? 184 LEU A O 1 -ATOM 3312 C CB . LEU A 1 194 ? -9.233 27.794 -23.822 1.00 16.12 ? 184 LEU A CB 1 -ATOM 3313 C CG . LEU A 1 194 ? -9.404 26.256 -23.814 1.00 14.93 ? 184 LEU A CG 1 -ATOM 3314 C CD1 . LEU A 1 194 ? -8.178 25.552 -24.271 1.00 17.83 ? 184 LEU A CD1 1 -ATOM 3315 C CD2 . LEU A 1 194 ? -9.756 25.751 -22.425 1.00 16.59 ? 184 LEU A CD2 1 -ATOM 3316 H H . LEU A 1 194 ? -10.886 28.097 -25.585 1.00 17.10 ? 184 LEU A H 1 -ATOM 3317 H HA . LEU A 1 194 ? -11.094 28.149 -22.988 1.00 18.12 ? 184 LEU A HA 1 -ATOM 3318 H HB2 . LEU A 1 194 ? -8.820 28.042 -24.664 1.00 19.34 ? 184 LEU A HB2 1 -ATOM 3319 H HB3 . LEU A 1 194 ? -8.650 28.030 -23.084 1.00 19.34 ? 184 LEU A HB3 1 -ATOM 3320 H HG . LEU A 1 194 ? -10.126 26.054 -24.431 1.00 17.92 ? 184 LEU A HG 1 -ATOM 3321 H HD11 . LEU A 1 194 ? -8.350 24.597 -24.287 1.00 21.39 ? 184 LEU A HD11 1 -ATOM 3322 H HD12 . LEU A 1 194 ? -7.949 25.862 -25.161 1.00 21.39 ? 184 LEU A HD12 1 -ATOM 3323 H HD13 . LEU A 1 194 ? -7.455 25.747 -23.655 1.00 21.39 ? 184 LEU A HD13 1 -ATOM 3324 H HD21 . LEU A 1 194 ? -9.774 24.781 -22.436 1.00 19.91 ? 184 LEU A HD21 1 -ATOM 3325 H HD22 . LEU A 1 194 ? -9.086 26.062 -21.796 1.00 19.91 ? 184 LEU A HD22 1 -ATOM 3326 H HD23 . LEU A 1 194 ? -10.629 26.094 -22.175 1.00 19.91 ? 184 LEU A HD23 1 -ATOM 3327 N N . LEU A 1 195 ? -9.840 30.876 -24.177 1.00 16.21 ? 185 LEU A N 1 -ATOM 3328 C CA . LEU A 1 195 ? -9.575 32.266 -23.819 1.00 17.67 ? 185 LEU A CA 1 -ATOM 3329 C C . LEU A 1 195 ? -10.834 32.978 -23.382 1.00 18.33 ? 185 LEU A C 1 -ATOM 3330 O O . LEU A 1 195 ? -10.782 33.801 -22.449 1.00 18.65 ? 185 LEU A O 1 -ATOM 3331 C CB . LEU A 1 195 ? -8.911 33.013 -24.978 1.00 21.23 ? 185 LEU A CB 1 -ATOM 3332 C CG . LEU A 1 195 ? -7.530 32.472 -25.350 1.00 21.47 ? 185 LEU A CG 1 -ATOM 3333 C CD1 . LEU A 1 195 ? -7.058 33.138 -26.642 1.00 24.07 ? 185 LEU A CD1 1 -ATOM 3334 C CD2 . LEU A 1 195 ? -6.558 32.694 -24.217 1.00 28.07 ? 185 LEU A CD2 1 -ATOM 3335 H H . LEU A 1 195 ? -9.711 30.693 -25.008 1.00 19.45 ? 185 LEU A H 1 -ATOM 3336 H HA . LEU A 1 195 ? -8.953 32.269 -23.074 1.00 21.21 ? 185 LEU A HA 1 -ATOM 3337 H HB2 . LEU A 1 195 ? -9.479 32.940 -25.761 1.00 25.47 ? 185 LEU A HB2 1 -ATOM 3338 H HB3 . LEU A 1 195 ? -8.808 33.945 -24.730 1.00 25.47 ? 185 LEU A HB3 1 -ATOM 3339 H HG . LEU A 1 195 ? -7.572 31.515 -25.503 1.00 25.76 ? 185 LEU A HG 1 -ATOM 3340 H HD11 . LEU A 1 195 ? -6.173 32.807 -26.863 1.00 28.88 ? 185 LEU A HD11 1 -ATOM 3341 H HD12 . LEU A 1 195 ? -7.679 32.921 -27.355 1.00 28.88 ? 185 LEU A HD12 1 -ATOM 3342 H HD13 . LEU A 1 195 ? -7.028 34.098 -26.510 1.00 28.88 ? 185 LEU A HD13 1 -ATOM 3343 H HD21 . LEU A 1 195 ? -5.658 32.516 -24.534 1.00 33.68 ? 185 LEU A HD21 1 -ATOM 3344 H HD22 . LEU A 1 195 ? -6.627 33.613 -23.916 1.00 33.68 ? 185 LEU A HD22 1 -ATOM 3345 H HD23 . LEU A 1 195 ? -6.777 32.090 -23.490 1.00 33.68 ? 185 LEU A HD23 1 -ATOM 3346 N N . THR A 1 196 ? -11.962 32.699 -24.044 1.00 17.38 ? 186 THR A N 1 -ATOM 3347 C CA . THR A 1 196 ? -13.225 33.334 -23.674 1.00 19.54 ? 186 THR A CA 1 -ATOM 3348 C C . THR A 1 196 ? -13.618 32.869 -22.282 1.00 18.14 ? 186 THR A C 1 -ATOM 3349 O O . THR A 1 196 ? -14.003 33.680 -21.427 1.00 19.74 ? 186 THR A O 1 -ATOM 3350 C CB . THR A 1 196 ? -14.281 32.969 -24.704 1.00 19.47 ? 186 THR A CB 1 -ATOM 3351 O OG1 . THR A 1 196 ? -13.924 33.542 -25.966 1.00 22.21 ? 186 THR A OG1 1 -ATOM 3352 C CG2 . THR A 1 196 ? -15.639 33.499 -24.352 1.00 22.86 ? 186 THR A CG2 1 -ATOM 3353 H H . THR A 1 196 ? -12.020 32.152 -24.705 1.00 20.86 ? 186 THR A H 1 -ATOM 3354 H HA . THR A 1 196 ? -13.146 34.301 -23.667 1.00 23.45 ? 186 THR A HA 1 -ATOM 3355 H HB . THR A 1 196 ? -14.330 32.001 -24.744 1.00 23.36 ? 186 THR A HB 1 -ATOM 3356 H HG1 . THR A 1 196 ? -13.180 33.242 -26.217 1.00 26.65 ? 186 THR A HG1 1 -ATOM 3357 H HG21 . THR A 1 196 ? -16.244 33.386 -25.101 1.00 27.43 ? 186 THR A HG21 1 -ATOM 3358 H HG22 . THR A 1 196 ? -15.993 33.021 -23.586 1.00 27.43 ? 186 THR A HG22 1 -ATOM 3359 H HG23 . THR A 1 196 ? -15.580 34.443 -24.134 1.00 27.43 ? 186 THR A HG23 1 -ATOM 3360 N N . LEU A 1 197 ? -13.522 31.584 -22.016 1.00 16.88 ? 187 LEU A N 1 -ATOM 3361 C CA . LEU A 1 197 ? -13.878 31.074 -20.687 1.00 16.43 ? 187 LEU A CA 1 -ATOM 3362 C C . LEU A 1 197 ? -13.042 31.748 -19.621 1.00 18.73 ? 187 LEU A C 1 -ATOM 3363 O O . LEU A 1 197 ? -13.569 32.130 -18.560 1.00 18.75 ? 187 LEU A O 1 -ATOM 3364 C CB . LEU A 1 197 ? -13.684 29.575 -20.687 1.00 15.56 ? 187 LEU A CB 1 -ATOM 3365 C CG . LEU A 1 197 ? -14.685 28.791 -21.531 1.00 16.06 ? 187 LEU A CG 1 -ATOM 3366 C CD1 . LEU A 1 197 ? -14.190 27.399 -21.815 1.00 17.01 ? 187 LEU A CD1 1 -ATOM 3367 C CD2 . LEU A 1 197 ? -16.074 28.743 -20.920 1.00 16.89 ? 187 LEU A CD2 1 -ATOM 3368 H H . LEU A 1 197 ? -13.257 30.984 -22.572 1.00 20.26 ? 187 LEU A H 1 -ATOM 3369 H HA . LEU A 1 197 ? -14.808 31.260 -20.482 1.00 19.71 ? 187 LEU A HA 1 -ATOM 3370 H HB2 . LEU A 1 197 ? -12.799 29.382 -21.032 1.00 18.68 ? 187 LEU A HB2 1 -ATOM 3371 H HB3 . LEU A 1 197 ? -13.762 29.257 -19.774 1.00 18.68 ? 187 LEU A HB3 1 -ATOM 3372 H HG . LEU A 1 197 ? -14.768 29.267 -22.372 1.00 19.27 ? 187 LEU A HG 1 -ATOM 3373 H HD11 . LEU A 1 197 ? -14.857 26.927 -22.337 1.00 20.41 ? 187 LEU A HD11 1 -ATOM 3374 H HD12 . LEU A 1 197 ? -13.359 27.455 -22.313 1.00 20.41 ? 187 LEU A HD12 1 -ATOM 3375 H HD13 . LEU A 1 197 ? -14.041 26.939 -20.974 1.00 20.41 ? 187 LEU A HD13 1 -ATOM 3376 H HD21 . LEU A 1 197 ? -16.652 28.214 -21.491 1.00 20.26 ? 187 LEU A HD21 1 -ATOM 3377 H HD22 . LEU A 1 197 ? -16.018 28.339 -20.040 1.00 20.26 ? 187 LEU A HD22 1 -ATOM 3378 H HD23 . LEU A 1 197 ? -16.418 29.647 -20.847 1.00 20.26 ? 187 LEU A HD23 1 -ATOM 3379 N N . LYS A 1 198 ? -11.743 31.909 -19.840 1.00 17.29 ? 188 LYS A N 1 -ATOM 3380 C CA A LYS A 1 198 ? -10.914 32.583 -18.844 0.72 18.40 ? 188 LYS A CA 1 -ATOM 3381 C CA B LYS A 1 198 ? -10.939 32.595 -18.815 0.28 19.31 ? 188 LYS A CA 1 -ATOM 3382 C C . LYS A 1 198 ? -11.357 34.039 -18.665 1.00 19.45 ? 188 LYS A C 1 -ATOM 3383 O O . LYS A 1 198 ? -11.458 34.544 -17.545 1.00 21.57 ? 188 LYS A O 1 -ATOM 3384 C CB A LYS A 1 198 ? -9.456 32.503 -19.229 0.72 19.04 ? 188 LYS A CB 1 -ATOM 3385 C CB B LYS A 1 198 ? -9.457 32.659 -19.084 0.28 24.88 ? 188 LYS A CB 1 -ATOM 3386 C CG A LYS A 1 198 ? -8.535 32.872 -18.023 0.72 42.50 ? 188 LYS A CG 1 -ATOM 3387 C CG B LYS A 1 198 ? -8.773 31.409 -19.368 0.28 21.61 ? 188 LYS A CG 1 -ATOM 3388 C CD A LYS A 1 198 ? -7.020 32.848 -18.297 0.72 64.04 ? 188 LYS A CD 1 -ATOM 3389 C CD B LYS A 1 198 ? -7.906 31.675 -20.600 0.28 59.29 ? 188 LYS A CD 1 -ATOM 3390 C CE A LYS A 1 198 ? -6.452 31.466 -18.639 0.72 55.02 ? 188 LYS A CE 1 -ATOM 3391 C CE B LYS A 1 198 ? -6.507 31.137 -20.448 0.28 31.91 ? 188 LYS A CE 1 -ATOM 3392 N NZ A LYS A 1 198 ? -6.540 31.121 -20.101 0.72 39.29 ? 188 LYS A NZ 1 -ATOM 3393 N NZ B LYS A 1 198 ? -6.023 31.481 -19.085 0.28 49.58 ? 188 LYS A NZ 1 -ATOM 3394 H H . LYS A 1 198 ? -11.320 31.645 -20.540 1.00 20.75 ? 188 LYS A H 1 -ATOM 3395 H HA . LYS A 1 198 ? -11.011 32.130 -17.992 1.00 23.17 ? 188 LYS A HA 1 -ATOM 3396 H HB2 A LYS A 1 198 ? -9.247 31.599 -19.511 0.72 22.85 ? 188 LYS A HB2 1 -ATOM 3397 H HB2 B LYS A 1 198 ? -9.319 33.235 -19.852 0.28 29.86 ? 188 LYS A HB2 1 -ATOM 3398 H HB3 A LYS A 1 198 ? -9.279 33.126 -19.952 0.72 22.85 ? 188 LYS A HB3 1 -ATOM 3399 H HB3 B LYS A 1 198 ? -9.030 33.041 -18.301 0.28 29.86 ? 188 LYS A HB3 1 -ATOM 3400 H HG2 A LYS A 1 198 ? -8.758 33.771 -17.734 0.72 51.00 ? 188 LYS A HG2 1 -ATOM 3401 H HG2 B LYS A 1 198 ? -8.212 31.149 -18.621 0.28 25.93 ? 188 LYS A HG2 1 -ATOM 3402 H HG3 A LYS A 1 198 ? -8.705 32.241 -17.306 0.72 51.00 ? 188 LYS A HG3 1 -ATOM 3403 H HG3 B LYS A 1 198 ? -9.413 30.706 -19.563 0.28 25.93 ? 188 LYS A HG3 1 -ATOM 3404 H HD2 A LYS A 1 198 ? -6.832 33.433 -19.047 0.72 76.84 ? 188 LYS A HD2 1 -ATOM 3405 H HD2 B LYS A 1 198 ? -8.310 31.248 -21.371 0.28 71.15 ? 188 LYS A HD2 1 -ATOM 3406 H HD3 A LYS A 1 198 ? -6.558 33.165 -17.505 0.72 76.84 ? 188 LYS A HD3 1 -ATOM 3407 H HD3 B LYS A 1 198 ? -7.845 32.632 -20.744 0.28 71.15 ? 188 LYS A HD3 1 -ATOM 3408 H HE2 A LYS A 1 198 ? -5.517 31.440 -18.384 0.72 66.03 ? 188 LYS A HE2 1 -ATOM 3409 H HE2 B LYS A 1 198 ? -6.507 30.172 -20.552 0.28 38.29 ? 188 LYS A HE2 1 -ATOM 3410 H HE3 A LYS A 1 198 ? -6.949 30.794 -18.146 0.72 66.03 ? 188 LYS A HE3 1 -ATOM 3411 H HE3 B LYS A 1 198 ? -5.920 31.541 -21.106 0.28 38.29 ? 188 LYS A HE3 1 -ATOM 3412 H HZ1 A LYS A 1 198 ? -6.167 30.327 -20.249 0.72 47.15 ? 188 LYS A HZ1 1 -ATOM 3413 H HZ1 B LYS A 1 198 ? -5.135 31.546 -19.085 0.28 59.49 ? 188 LYS A HZ1 1 -ATOM 3414 H HZ2 A LYS A 1 198 ? -7.392 31.093 -20.357 0.72 47.15 ? 188 LYS A HZ2 1 -ATOM 3415 H HZ2 B LYS A 1 198 ? -6.369 32.259 -18.826 0.28 59.49 ? 188 LYS A HZ2 1 -ATOM 3416 H HZ3 A LYS A 1 198 ? -6.114 31.735 -20.584 0.72 47.15 ? 188 LYS A HZ3 1 -ATOM 3417 H HZ3 B LYS A 1 198 ? -6.267 30.849 -18.507 0.28 59.49 ? 188 LYS A HZ3 1 -ATOM 3418 N N . GLU A 1 199 ? -11.611 34.737 -19.772 1.00 19.18 ? 189 GLU A N 1 -ATOM 3419 C CA . GLU A 1 199 ? -11.983 36.132 -19.699 1.00 19.84 ? 189 GLU A CA 1 -ATOM 3420 C C . GLU A 1 199 ? -13.281 36.308 -18.911 1.00 23.09 ? 189 GLU A C 1 -ATOM 3421 O O . GLU A 1 199 ? -13.453 37.300 -18.203 1.00 24.22 ? 189 GLU A O 1 -ATOM 3422 C CB . GLU A 1 199 ? -12.148 36.710 -21.110 1.00 23.41 ? 189 GLU A CB 1 -ATOM 3423 C CG . GLU A 1 199 ? -12.503 38.166 -21.165 1.00 31.06 ? 189 GLU A CG 1 -ATOM 3424 C CD . GLU A 1 199 ? -13.012 38.587 -22.532 1.00 62.68 ? 189 GLU A CD 1 -ATOM 3425 O OE1 . GLU A 1 199 ? -12.983 37.759 -23.471 1.00 56.93 ? 189 GLU A OE1 1 -ATOM 3426 O OE2 . GLU A 1 199 ? -13.464 39.742 -22.659 1.00 93.12 ? 189 GLU A OE2 1 -ATOM 3427 H H . GLU A 1 199 ? -11.573 34.420 -20.571 1.00 23.01 ? 189 GLU A H 1 -ATOM 3428 H HA . GLU A 1 199 ? -11.276 36.624 -19.253 1.00 23.81 ? 189 GLU A HA 1 -ATOM 3429 H HB2 . GLU A 1 199 ? -11.310 36.598 -21.586 1.00 28.09 ? 189 GLU A HB2 1 -ATOM 3430 H HB3 . GLU A 1 199 ? -12.854 36.222 -21.561 1.00 28.09 ? 189 GLU A HB3 1 -ATOM 3431 H HG2 . GLU A 1 199 ? -13.199 38.348 -20.515 1.00 37.28 ? 189 GLU A HG2 1 -ATOM 3432 H HG3 . GLU A 1 199 ? -11.714 38.693 -20.963 1.00 37.28 ? 189 GLU A HG3 1 -ATOM 3433 N N . LEU A 1 200 ? -14.196 35.344 -19.006 1.00 20.31 ? 190 LEU A N 1 -ATOM 3434 C CA . LEU A 1 200 ? -15.455 35.392 -18.284 1.00 22.03 ? 190 LEU A CA 1 -ATOM 3435 C C . LEU A 1 200 ? -15.315 35.022 -16.804 1.00 20.35 ? 190 LEU A C 1 -ATOM 3436 O O . LEU A 1 200 ? -16.311 35.096 -16.074 1.00 24.22 ? 190 LEU A O 1 -ATOM 3437 C CB . LEU A 1 200 ? -16.474 34.434 -18.942 1.00 20.64 ? 190 LEU A CB 1 -ATOM 3438 C CG . LEU A 1 200 ? -16.939 34.884 -20.339 1.00 21.97 ? 190 LEU A CG 1 -ATOM 3439 C CD1 . LEU A 1 200 ? -17.764 33.860 -21.045 1.00 21.03 ? 190 LEU A CD1 1 -ATOM 3440 C CD2 . LEU A 1 200 ? -17.739 36.194 -20.260 1.00 30.45 ? 190 LEU A CD2 1 -ATOM 3441 H H . LEU A 1 200 ? -14.106 34.640 -19.492 1.00 24.37 ? 190 LEU A H 1 -ATOM 3442 H HA . LEU A 1 200 ? -15.801 36.297 -18.336 1.00 26.44 ? 190 LEU A HA 1 -ATOM 3443 H HB2 . LEU A 1 200 ? -16.064 33.559 -19.033 1.00 24.76 ? 190 LEU A HB2 1 -ATOM 3444 H HB3 . LEU A 1 200 ? -17.258 34.375 -18.373 1.00 24.76 ? 190 LEU A HB3 1 -ATOM 3445 H HG . LEU A 1 200 ? -16.131 35.019 -20.859 1.00 26.36 ? 190 LEU A HG 1 -ATOM 3446 H HD11 . LEU A 1 200 ? -17.996 34.194 -21.925 1.00 25.24 ? 190 LEU A HD11 1 -ATOM 3447 H HD12 . LEU A 1 200 ? -17.251 33.042 -21.126 1.00 25.24 ? 190 LEU A HD12 1 -ATOM 3448 H HD13 . LEU A 1 200 ? -18.571 33.696 -20.531 1.00 25.24 ? 190 LEU A HD13 1 -ATOM 3449 H HD21 . LEU A 1 200 ? -18.118 36.385 -21.132 1.00 36.54 ? 190 LEU A HD21 1 -ATOM 3450 H HD22 . LEU A 1 200 ? -18.448 36.092 -19.606 1.00 36.54 ? 190 LEU A HD22 1 -ATOM 3451 H HD23 . LEU A 1 200 ? -17.143 36.912 -19.993 1.00 36.54 ? 190 LEU A HD23 1 -ATOM 3452 N N . GLY A 1 201 ? -14.153 34.585 -16.387 1.00 19.90 ? 191 GLY A N 1 -ATOM 3453 C CA . GLY A 1 201 ? -13.873 34.295 -14.977 1.00 20.89 ? 191 GLY A CA 1 -ATOM 3454 C C . GLY A 1 201 ? -14.110 32.867 -14.565 1.00 20.83 ? 191 GLY A C 1 -ATOM 3455 O O . GLY A 1 201 ? -14.092 32.560 -13.363 1.00 20.68 ? 191 GLY A O 1 -ATOM 3456 H H . GLY A 1 201 ? -13.482 34.440 -16.904 1.00 23.88 ? 191 GLY A H 1 -ATOM 3457 H HA2 . GLY A 1 201 ? -12.944 34.505 -14.796 1.00 25.06 ? 191 GLY A HA2 1 -ATOM 3458 H HA3 . GLY A 1 201 ? -14.438 34.859 -14.426 1.00 25.06 ? 191 GLY A HA3 1 -ATOM 3459 N N . TYR A 1 202 ? -14.299 31.946 -15.493 1.00 16.84 ? 192 TYR A N 1 -ATOM 3460 C CA . TYR A 1 202 ? -14.290 30.552 -15.138 1.00 15.87 ? 192 TYR A CA 1 -ATOM 3461 C C . TYR A 1 202 ? -12.903 30.117 -14.690 1.00 16.97 ? 192 TYR A C 1 -ATOM 3462 O O . TYR A 1 202 ? -11.867 30.580 -15.216 1.00 18.70 ? 192 TYR A O 1 -ATOM 3463 C CB . TYR A 1 202 ? -14.621 29.712 -16.377 1.00 17.03 ? 192 TYR A CB 1 -ATOM 3464 C CG . TYR A 1 202 ? -16.051 29.706 -16.834 1.00 15.56 ? 192 TYR A CG 1 -ATOM 3465 C CD1 . TYR A 1 202 ? -16.499 30.628 -17.751 1.00 16.17 ? 192 TYR A CD1 1 -ATOM 3466 C CD2 . TYR A 1 202 ? -16.926 28.708 -16.426 1.00 16.42 ? 192 TYR A CD2 1 -ATOM 3467 C CE1 . TYR A 1 202 ? -17.784 30.586 -18.242 1.00 16.09 ? 192 TYR A CE1 1 -ATOM 3468 C CE2 . TYR A 1 202 ? -18.210 28.650 -16.915 1.00 15.89 ? 192 TYR A CE2 1 -ATOM 3469 C CZ . TYR A 1 202 ? -18.618 29.560 -17.839 1.00 15.74 ? 192 TYR A CZ 1 -ATOM 3470 O OH . TYR A 1 202 ? -19.907 29.435 -18.316 1.00 17.34 ? 192 TYR A OH 1 -ATOM 3471 H H . TYR A 1 202 ? -14.434 32.106 -16.328 1.00 20.20 ? 192 TYR A H 1 -ATOM 3472 H HA . TYR A 1 202 ? -14.933 30.406 -14.426 1.00 19.04 ? 192 TYR A HA 1 -ATOM 3473 H HB2 . TYR A 1 202 ? -14.090 30.048 -17.116 1.00 20.44 ? 192 TYR A HB2 1 -ATOM 3474 H HB3 . TYR A 1 202 ? -14.381 28.792 -16.187 1.00 20.44 ? 192 TYR A HB3 1 -ATOM 3475 H HD1 . TYR A 1 202 ? -15.921 31.294 -18.045 1.00 19.40 ? 192 TYR A HD1 1 -ATOM 3476 H HD2 . TYR A 1 202 ? -16.639 28.069 -15.814 1.00 19.71 ? 192 TYR A HD2 1 -ATOM 3477 H HE1 . TYR A 1 202 ? -18.086 31.236 -18.835 1.00 19.31 ? 192 TYR A HE1 1 -ATOM 3478 H HE2 . TYR A 1 202 ? -18.796 27.993 -16.616 1.00 19.06 ? 192 TYR A HE2 1 -ATOM 3479 H HH . TYR A 1 202 ? -20.074 30.055 -18.857 1.00 20.80 ? 192 TYR A HH 1 -ATOM 3480 N N . GLU A 1 203 ? -12.854 29.172 -13.749 1.00 16.26 ? 193 GLU A N 1 -ATOM 3481 C CA A GLU A 1 203 ? -11.682 28.311 -13.631 0.58 16.30 ? 193 GLU A CA 1 -ATOM 3482 C CA B GLU A 1 203 ? -11.687 28.307 -13.635 0.42 15.17 ? 193 GLU A CA 1 -ATOM 3483 C C . GLU A 1 203 ? -11.680 27.407 -14.848 1.00 17.00 ? 193 GLU A C 1 -ATOM 3484 O O . GLU A 1 203 ? -12.674 26.711 -15.106 1.00 17.13 ? 193 GLU A O 1 -ATOM 3485 C CB A GLU A 1 203 ? -11.721 27.503 -12.334 0.58 16.74 ? 193 GLU A CB 1 -ATOM 3486 C CB B GLU A 1 203 ? -11.779 27.454 -12.387 0.42 14.42 ? 193 GLU A CB 1 -ATOM 3487 C CG A GLU A 1 203 ? -11.631 28.418 -11.104 0.58 14.98 ? 193 GLU A CG 1 -ATOM 3488 C CG B GLU A 1 203 ? -11.183 28.078 -11.180 0.42 39.44 ? 193 GLU A CG 1 -ATOM 3489 C CD A GLU A 1 203 ? -11.641 27.723 -9.744 0.58 26.40 ? 193 GLU A CD 1 -ATOM 3490 C CD B GLU A 1 203 ? -11.397 27.181 -10.027 0.42 34.90 ? 193 GLU A CD 1 -ATOM 3491 O OE1 A GLU A 1 203 ? -11.356 26.503 -9.650 0.58 17.05 ? 193 GLU A OE1 1 -ATOM 3492 O OE1 B GLU A 1 203 ? -12.464 27.327 -9.399 0.42 19.43 ? 193 GLU A OE1 1 -ATOM 3493 O OE2 A GLU A 1 203 ? -11.958 28.444 -8.742 0.58 20.37 ? 193 GLU A OE2 1 -ATOM 3494 O OE2 B GLU A 1 203 ? -10.550 26.267 -9.846 0.42 19.77 ? 193 GLU A OE2 1 -ATOM 3495 H H A GLU A 1 203 ? -13.477 29.014 -13.178 0.58 19.51 ? 193 GLU A H 1 -ATOM 3496 H H B GLU A 1 203 ? -13.475 29.017 -13.175 0.42 19.51 ? 193 GLU A H 1 -ATOM 3497 H HA A GLU A 1 203 ? -10.865 28.833 -13.596 0.58 19.57 ? 193 GLU A HA 1 -ATOM 3498 H HA B GLU A 1 203 ? -10.877 28.838 -13.581 0.42 18.20 ? 193 GLU A HA 1 -ATOM 3499 H HB2 A GLU A 1 203 ? -12.554 27.009 -12.288 0.58 20.08 ? 193 GLU A HB2 1 -ATOM 3500 H HB2 B GLU A 1 203 ? -12.714 27.281 -12.198 0.42 17.30 ? 193 GLU A HB2 1 -ATOM 3501 H HB3 A GLU A 1 203 ? -10.970 26.889 -12.314 0.58 20.08 ? 193 GLU A HB3 1 -ATOM 3502 H HB3 B GLU A 1 203 ? -11.312 26.619 -12.548 0.42 17.30 ? 193 GLU A HB3 1 -ATOM 3503 H HG2 A GLU A 1 203 ? -10.803 28.921 -11.161 0.58 17.97 ? 193 GLU A HG2 1 -ATOM 3504 H HG2 B GLU A 1 203 ? -10.230 28.205 -11.310 0.42 47.33 ? 193 GLU A HG2 1 -ATOM 3505 H HG3 A GLU A 1 203 ? -12.389 29.024 -11.121 0.58 17.97 ? 193 GLU A HG3 1 -ATOM 3506 H HG3 B GLU A 1 203 ? -11.611 28.930 -11.003 0.42 47.33 ? 193 GLU A HG3 1 -ATOM 3507 N N A THR A 1 204 ? -10.603 27.444 -15.618 0.59 14.17 ? 194 THR A N 1 -ATOM 3508 N N B THR A 1 204 ? -10.655 27.525 -15.674 0.41 18.99 ? 194 THR A N 1 -ATOM 3509 C CA A THR A 1 204 ? -10.578 26.886 -16.961 0.59 13.92 ? 194 THR A CA 1 -ATOM 3510 C CA B THR A 1 204 ? -10.663 26.835 -16.948 0.41 20.19 ? 194 THR A CA 1 -ATOM 3511 C C A THR A 1 204 ? -9.636 25.715 -17.021 0.59 16.15 ? 194 THR A C 1 -ATOM 3512 C C B THR A 1 204 ? -9.679 25.692 -16.961 0.41 13.49 ? 194 THR A C 1 -ATOM 3513 O O A THR A 1 204 ? -8.471 25.809 -16.598 0.59 16.86 ? 194 THR A O 1 -ATOM 3514 O O B THR A 1 204 ? -8.537 25.796 -16.479 0.41 15.24 ? 194 THR A O 1 -ATOM 3515 C CB A THR A 1 204 ? -10.168 27.981 -17.935 0.59 14.37 ? 194 THR A CB 1 -ATOM 3516 C CB B THR A 1 204 ? -10.402 27.760 -18.123 0.41 18.49 ? 194 THR A CB 1 -ATOM 3517 O OG1 A THR A 1 204 ? -11.071 29.094 -17.790 0.59 21.25 ? 194 THR A OG1 1 -ATOM 3518 O OG1 B THR A 1 204 ? -9.054 28.211 -18.086 0.41 17.55 ? 194 THR A OG1 1 -ATOM 3519 C CG2 A THR A 1 204 ? -10.262 27.535 -19.373 0.59 18.06 ? 194 THR A CG2 1 -ATOM 3520 C CG2 B THR A 1 204 ? -11.353 28.933 -18.065 0.41 14.79 ? 194 THR A CG2 1 -ATOM 3521 H H A THR A 1 204 ? -9.856 27.796 -15.378 0.59 17.01 ? 194 THR A H 1 -ATOM 3522 H H B THR A 1 204 ? -9.952 27.995 -15.519 0.41 22.79 ? 194 THR A H 1 -ATOM 3523 H HA A THR A 1 204 ? -11.450 26.543 -17.211 0.59 16.71 ? 194 THR A HA 1 -ATOM 3524 H HA B THR A 1 204 ? -11.551 26.463 -17.065 0.41 24.22 ? 194 THR A HA 1 -ATOM 3525 H HB A THR A 1 204 ? -9.248 28.222 -17.742 0.59 17.24 ? 194 THR A HB 1 -ATOM 3526 H HB B THR A 1 204 ? -10.545 27.292 -18.961 0.41 22.18 ? 194 THR A HB 1 -ATOM 3527 H HG1 A THR A 1 204 ? -10.833 29.724 -18.292 0.59 25.50 ? 194 THR A HG1 1 -ATOM 3528 H HG1 B THR A 1 204 ? -8.910 28.737 -18.724 0.41 21.06 ? 194 THR A HG1 1 -ATOM 3529 H HG21 A THR A 1 204 ? -10.551 28.274 -19.931 0.59 21.68 ? 194 THR A HG21 1 -ATOM 3530 H HG21 B THR A 1 204 ? -11.308 29.438 -18.893 0.41 17.75 ? 194 THR A HG21 1 -ATOM 3531 H HG22 A THR A 1 204 ? -9.396 27.227 -19.682 0.59 21.68 ? 194 THR A HG22 1 -ATOM 3532 H HG22 B THR A 1 204 ? -12.261 28.619 -17.937 0.41 17.75 ? 194 THR A HG22 1 -ATOM 3533 H HG23 A THR A 1 204 ? -10.902 26.810 -19.454 0.59 21.68 ? 194 THR A HG23 1 -ATOM 3534 H HG23 B THR A 1 204 ? -11.115 29.517 -17.328 0.41 17.75 ? 194 THR A HG23 1 -ATOM 3535 N N . GLY A 1 205 ? -10.130 24.606 -17.559 1.00 13.93 ? 195 GLY A N 1 -ATOM 3536 C CA . GLY A 1 205 ? -9.357 23.407 -17.717 1.00 13.80 ? 195 GLY A CA 1 -ATOM 3537 C C . GLY A 1 205 ? -9.048 23.050 -19.148 1.00 13.04 ? 195 GLY A C 1 -ATOM 3538 O O . GLY A 1 205 ? -9.973 23.042 -19.993 1.00 13.89 ? 195 GLY A O 1 -ATOM 3539 H H A GLY A 1 205 ? -10.938 24.532 -17.845 0.59 16.72 ? 195 GLY A H 1 -ATOM 3540 H H B GLY A 1 205 ? -10.919 24.541 -17.895 0.41 16.72 ? 195 GLY A H 1 -ATOM 3541 H HA2 . GLY A 1 205 ? -8.514 23.514 -17.249 1.00 16.55 ? 195 GLY A HA2 1 -ATOM 3542 H HA3 . GLY A 1 205 ? -9.844 22.666 -17.324 1.00 16.55 ? 195 GLY A HA3 1 -ATOM 3543 N N . ALA A 1 206 ? -7.806 22.718 -19.440 1.00 13.08 ? 196 ALA A N 1 -ATOM 3544 C CA . ALA A 1 206 ? -7.401 22.198 -20.733 1.00 12.71 ? 196 ALA A CA 1 -ATOM 3545 C C . ALA A 1 206 ? -6.810 20.819 -20.532 1.00 13.44 ? 196 ALA A C 1 -ATOM 3546 O O . ALA A 1 206 ? -7.172 20.154 -19.558 1.00 13.34 ? 196 ALA A O 1 -ATOM 3547 C CB . ALA A 1 206 ? -6.451 23.179 -21.436 1.00 15.34 ? 196 ALA A CB 1 -ATOM 3548 H H . ALA A 1 206 ? -7.152 22.785 -18.886 1.00 15.69 ? 196 ALA A H 1 -ATOM 3549 H HA . ALA A 1 206 ? -8.156 22.107 -21.336 1.00 15.25 ? 196 ALA A HA 1 -ATOM 3550 H HB1 . ALA A 1 206 ? -6.247 22.841 -22.322 1.00 18.41 ? 196 ALA A HB1 1 -ATOM 3551 H HB2 . ALA A 1 206 ? -6.884 24.045 -21.503 1.00 18.41 ? 196 ALA A HB2 1 -ATOM 3552 H HB3 . ALA A 1 206 ? -5.636 23.256 -20.916 1.00 18.41 ? 196 ALA A HB3 1 -ATOM 3553 N N . GLY A 1 207 ? -5.891 20.363 -21.401 1.00 13.18 ? 197 GLY A N 1 -ATOM 3554 C CA . GLY A 1 207 ? -5.284 19.054 -21.279 1.00 13.84 ? 197 GLY A CA 1 -ATOM 3555 C C . GLY A 1 207 ? -5.395 18.274 -22.563 1.00 13.37 ? 197 GLY A C 1 -ATOM 3556 O O . GLY A 1 207 ? -6.340 18.419 -23.315 1.00 15.46 ? 197 GLY A O 1 -ATOM 3557 H H . GLY A 1 207 ? -5.606 20.811 -22.077 1.00 15.81 ? 197 GLY A H 1 -ATOM 3558 H HA2 . GLY A 1 207 ? -4.344 19.151 -21.056 1.00 16.61 ? 197 GLY A HA2 1 -ATOM 3559 H HA3 . GLY A 1 207 ? -5.725 18.555 -20.574 1.00 16.61 ? 197 GLY A HA3 1 -ATOM 3560 N N . SER A 1 208 ? -4.470 17.379 -22.750 1.00 15.08 ? 198 SER A N 1 -ATOM 3561 C CA . SER A 1 208 ? -4.345 16.634 -24.009 1.00 16.12 ? 198 SER A CA 1 -ATOM 3562 C C . SER A 1 208 ? -4.596 15.147 -23.810 1.00 13.43 ? 198 SER A C 1 -ATOM 3563 O O . SER A 1 208 ? -4.648 14.602 -22.686 1.00 15.02 ? 198 SER A O 1 -ATOM 3564 C CB . SER A 1 208 ? -2.972 16.891 -24.642 1.00 18.92 ? 198 SER A CB 1 -ATOM 3565 O OG . SER A 1 208 ? -1.980 16.674 -23.620 1.00 21.07 ? 198 SER A OG 1 -ATOM 3566 H H . SER A 1 208 ? -3.880 17.167 -22.161 1.00 18.09 ? 198 SER A H 1 -ATOM 3567 H HA . SER A 1 208 ? -5.032 16.937 -24.623 1.00 19.34 ? 198 SER A HA 1 -ATOM 3568 H HB2 . SER A 1 208 ? -2.827 16.274 -25.377 1.00 22.70 ? 198 SER A HB2 1 -ATOM 3569 H HB3 . SER A 1 208 ? -2.922 17.805 -24.962 1.00 22.70 ? 198 SER A HB3 1 -ATOM 3570 H HG . SER A 1 208 ? -2.013 15.879 -23.351 1.00 25.29 ? 198 SER A HG 1 -ATOM 3571 N N . MET A 1 209 ? -4.717 14.464 -24.941 1.00 13.63 ? 199 MET A N 1 -ATOM 3572 C CA . MET A 1 209 ? -4.597 13.010 -24.998 1.00 14.49 ? 199 MET A CA 1 -ATOM 3573 C C . MET A 1 209 ? -3.187 12.678 -25.402 1.00 14.29 ? 199 MET A C 1 -ATOM 3574 O O . MET A 1 209 ? -2.531 13.449 -26.136 1.00 15.85 ? 199 MET A O 1 -ATOM 3575 C CB . MET A 1 209 ? -5.598 12.377 -25.989 1.00 16.11 ? 199 MET A CB 1 -ATOM 3576 C CG . MET A 1 209 ? -7.013 12.374 -25.503 1.00 15.50 ? 199 MET A CG 1 -ATOM 3577 S SD . MET A 1 209 ? -8.188 11.771 -26.729 1.00 17.22 ? 199 MET A SD 1 -ATOM 3578 C CE . MET A 1 209 ? -8.315 13.214 -27.726 1.00 17.48 ? 199 MET A CE 1 -ATOM 3579 H H . MET A 1 209 ? -4.872 14.827 -25.705 1.00 16.36 ? 199 MET A H 1 -ATOM 3580 H HA . MET A 1 209 ? -4.807 12.629 -24.131 1.00 17.39 ? 199 MET A HA 1 -ATOM 3581 H HB2 . MET A 1 209 ? -5.571 12.877 -26.820 1.00 19.34 ? 199 MET A HB2 1 -ATOM 3582 H HB3 . MET A 1 209 ? -5.338 11.456 -26.148 1.00 19.34 ? 199 MET A HB3 1 -ATOM 3583 H HG2 . MET A 1 209 ? -7.076 11.800 -24.723 1.00 18.61 ? 199 MET A HG2 1 -ATOM 3584 H HG3 . MET A 1 209 ? -7.266 13.280 -25.269 1.00 18.61 ? 199 MET A HG3 1 -ATOM 3585 H HE1 . MET A 1 209 ? -8.875 13.018 -28.494 1.00 20.98 ? 199 MET A HE1 1 -ATOM 3586 H HE2 . MET A 1 209 ? -8.711 13.927 -27.201 1.00 20.98 ? 199 MET A HE2 1 -ATOM 3587 H HE3 . MET A 1 209 ? -7.429 13.473 -28.021 1.00 20.98 ? 199 MET A HE3 1 -ATOM 3588 N N . VAL A 1 210 ? -2.674 11.574 -24.884 1.00 13.42 ? 200 VAL A N 1 -ATOM 3589 C CA . VAL A 1 210 ? -1.325 11.098 -25.158 1.00 13.80 ? 200 VAL A CA 1 -ATOM 3590 C C . VAL A 1 210 ? -1.390 9.827 -25.962 1.00 14.42 ? 200 VAL A C 1 -ATOM 3591 O O . VAL A 1 210 ? -2.121 8.900 -25.630 1.00 15.00 ? 200 VAL A O 1 -ATOM 3592 C CB . VAL A 1 210 ? -0.574 10.874 -23.829 1.00 14.42 ? 200 VAL A CB 1 -ATOM 3593 C CG1 . VAL A 1 210 ? 0.780 10.270 -24.078 1.00 17.25 ? 200 VAL A CG1 1 -ATOM 3594 C CG2 . VAL A 1 210 ? -0.532 12.124 -23.063 1.00 15.93 ? 200 VAL A CG2 1 -ATOM 3595 H H . VAL A 1 210 ? -3.106 11.059 -24.347 1.00 16.11 ? 200 VAL A H 1 -ATOM 3596 H HA . VAL A 1 210 ? -0.852 11.749 -25.700 1.00 16.56 ? 200 VAL A HA 1 -ATOM 3597 H HB . VAL A 1 210 ? -1.048 10.231 -23.279 1.00 17.30 ? 200 VAL A HB 1 -ATOM 3598 H HG11 . VAL A 1 210 ? 1.324 10.375 -23.282 1.00 20.70 ? 200 VAL A HG11 1 -ATOM 3599 H HG12 . VAL A 1 210 ? 0.673 9.327 -24.282 1.00 20.70 ? 200 VAL A HG12 1 -ATOM 3600 H HG13 . VAL A 1 210 ? 1.197 10.725 -24.826 1.00 20.70 ? 200 VAL A HG13 1 -ATOM 3601 H HG21 . VAL A 1 210 ? 0.012 11.991 -22.271 1.00 19.11 ? 200 VAL A HG21 1 -ATOM 3602 H HG22 . VAL A 1 210 ? -0.145 12.821 -23.616 1.00 19.11 ? 200 VAL A HG22 1 -ATOM 3603 H HG23 . VAL A 1 210 ? -1.435 12.368 -22.807 1.00 19.11 ? 200 VAL A HG23 1 -ATOM 3604 N N . GLY A 1 211 ? -0.669 9.813 -27.082 1.00 15.39 ? 201 GLY A N 1 -ATOM 3605 C CA . GLY A 1 211 ? -0.647 8.658 -27.962 1.00 15.42 ? 201 GLY A CA 1 -ATOM 3606 C C . GLY A 1 211 ? -1.602 8.718 -29.106 1.00 15.63 ? 201 GLY A C 1 -ATOM 3607 O O . GLY A 1 211 ? -1.870 7.683 -29.719 1.00 16.86 ? 201 GLY A O 1 -ATOM 3608 H H . GLY A 1 211 ? -0.181 10.467 -27.352 1.00 18.46 ? 201 GLY A H 1 -ATOM 3609 H HA2 . GLY A 1 211 ? 0.246 8.564 -28.327 1.00 18.51 ? 201 GLY A HA2 1 -ATOM 3610 H HA3 . GLY A 1 211 ? -0.860 7.868 -27.441 1.00 18.51 ? 201 GLY A HA3 1 -ATOM 3611 N N . LEU A 1 212 ? -2.085 9.891 -29.454 1.00 15.86 ? 202 LEU A N 1 -ATOM 3612 C CA . LEU A 1 212 ? -2.930 10.023 -30.638 1.00 15.93 ? 202 LEU A CA 1 -ATOM 3613 C C . LEU A 1 212 ? -2.153 9.617 -31.875 1.00 17.20 ? 202 LEU A C 1 -ATOM 3614 O O . LEU A 1 212 ? -0.945 9.792 -31.952 1.00 17.52 ? 202 LEU A O 1 -ATOM 3615 C CB . LEU A 1 212 ? -3.433 11.467 -30.789 1.00 16.81 ? 202 LEU A CB 1 -ATOM 3616 C CG . LEU A 1 212 ? -4.432 11.918 -29.735 1.00 15.41 ? 202 LEU A CG 1 -ATOM 3617 C CD1 . LEU A 1 212 ? -4.528 13.427 -29.764 1.00 16.92 ? 202 LEU A CD1 1 -ATOM 3618 C CD2 . LEU A 1 212 ? -5.746 11.317 -30.009 1.00 17.18 ? 202 LEU A CD2 1 -ATOM 3619 H H . LEU A 1 212 ? -1.945 10.626 -29.030 1.00 19.04 ? 202 LEU A H 1 -ATOM 3620 H HA . LEU A 1 212 ? -3.703 9.443 -30.549 1.00 19.11 ? 202 LEU A HA 1 -ATOM 3621 H HB2 . LEU A 1 212 ? -2.669 12.063 -30.740 1.00 20.18 ? 202 LEU A HB2 1 -ATOM 3622 H HB3 . LEU A 1 212 ? -3.864 11.551 -31.654 1.00 20.18 ? 202 LEU A HB3 1 -ATOM 3623 H HG . LEU A 1 212 ? -4.146 11.636 -28.852 1.00 18.50 ? 202 LEU A HG 1 -ATOM 3624 H HD11 . LEU A 1 212 ? -5.166 13.715 -29.092 1.00 20.31 ? 202 LEU A HD11 1 -ATOM 3625 H HD12 . LEU A 1 212 ? -3.654 13.802 -29.573 1.00 20.31 ? 202 LEU A HD12 1 -ATOM 3626 H HD13 . LEU A 1 212 ? -4.824 13.707 -30.644 1.00 20.31 ? 202 LEU A HD13 1 -ATOM 3627 H HD21 . LEU A 1 212 ? -6.384 11.642 -29.355 1.00 20.61 ? 202 LEU A HD21 1 -ATOM 3628 H HD22 . LEU A 1 212 ? -6.028 11.570 -30.902 1.00 20.61 ? 202 LEU A HD22 1 -ATOM 3629 H HD23 . LEU A 1 212 ? -5.671 10.352 -29.947 1.00 20.61 ? 202 LEU A HD23 1 -ATOM 3630 N N . PRO A 1 213 ? -2.842 9.103 -32.895 1.00 18.01 ? 203 PRO A N 1 -ATOM 3631 C CA . PRO A 1 213 ? -2.145 8.763 -34.147 1.00 18.71 ? 203 PRO A CA 1 -ATOM 3632 C C . PRO A 1 213 ? -1.521 10.012 -34.762 1.00 19.41 ? 203 PRO A C 1 -ATOM 3633 O O . PRO A 1 213 ? -2.157 11.078 -34.766 1.00 24.53 ? 203 PRO A O 1 -ATOM 3634 C CB . PRO A 1 213 ? -3.265 8.220 -35.043 1.00 23.31 ? 203 PRO A CB 1 -ATOM 3635 C CG . PRO A 1 213 ? -4.389 8.130 -34.291 1.00 24.34 ? 203 PRO A CG 1 -ATOM 3636 C CD . PRO A 1 213 ? -4.270 8.833 -32.964 1.00 20.27 ? 203 PRO A CD 1 -ATOM 3637 H HA . PRO A 1 213 ? -1.474 8.079 -33.997 1.00 22.45 ? 203 PRO A HA 1 -ATOM 3638 H HB2 . PRO A 1 213 ? -3.403 8.829 -35.785 1.00 27.98 ? 203 PRO A HB2 1 -ATOM 3639 H HB3 . PRO A 1 213 ? -3.010 7.345 -35.375 1.00 27.98 ? 203 PRO A HB3 1 -ATOM 3640 H HG2 . PRO A 1 213 ? -5.116 8.527 -34.796 1.00 29.21 ? 203 PRO A HG2 1 -ATOM 3641 H HG3 . PRO A 1 213 ? -4.568 7.189 -34.136 1.00 29.21 ? 203 PRO A HG3 1 -ATOM 3642 H HD2 . PRO A 1 213 ? -4.783 9.656 -32.957 1.00 24.33 ? 203 PRO A HD2 1 -ATOM 3643 H HD3 . PRO A 1 213 ? -4.554 8.258 -32.236 1.00 24.33 ? 203 PRO A HD3 1 -ATOM 3644 N N . GLY A 1 214 ? -0.286 9.899 -35.145 1.00 21.50 ? 204 GLY A N 1 -ATOM 3645 C CA . GLY A 1 214 ? 0.464 10.995 -35.737 1.00 24.62 ? 204 GLY A CA 1 -ATOM 3646 C C . GLY A 1 214 ? 1.110 11.939 -34.735 1.00 25.01 ? 204 GLY A C 1 -ATOM 3647 O O . GLY A 1 214 ? 1.816 12.865 -35.141 1.00 28.20 ? 204 GLY A O 1 -ATOM 3648 H H . GLY A 1 214 ? 0.171 9.174 -35.075 1.00 25.80 ? 204 GLY A H 1 -ATOM 3649 H HA2 . GLY A 1 214 ? 1.168 10.626 -36.293 1.00 29.54 ? 204 GLY A HA2 1 -ATOM 3650 H HA3 . GLY A 1 214 ? -0.136 11.518 -36.293 1.00 29.54 ? 204 GLY A HA3 1 -ATOM 3651 N N . GLN A 1 215 ? 0.916 11.741 -33.437 1.00 19.85 ? 205 GLN A N 1 -ATOM 3652 C CA . GLN A 1 215 ? 1.454 12.626 -32.436 1.00 21.81 ? 205 GLN A CA 1 -ATOM 3653 C C . GLN A 1 215 ? 2.831 12.117 -32.048 1.00 19.64 ? 205 GLN A C 1 -ATOM 3654 O O . GLN A 1 215 ? 3.017 10.922 -31.807 1.00 23.67 ? 205 GLN A O 1 -ATOM 3655 C CB . GLN A 1 215 ? 0.516 12.546 -31.242 1.00 19.04 ? 205 GLN A CB 1 -ATOM 3656 C CG . GLN A 1 215 ? 0.821 13.484 -30.093 1.00 17.29 ? 205 GLN A CG 1 -ATOM 3657 C CD . GLN A 1 215 ? -0.148 13.252 -28.966 1.00 17.70 ? 205 GLN A CD 1 -ATOM 3658 O OE1 . GLN A 1 215 ? -0.280 12.107 -28.552 1.00 19.51 ? 205 GLN A OE1 1 -ATOM 3659 N NE2 . GLN A 1 215 ? -0.811 14.267 -28.518 1.00 16.52 ? 205 GLN A NE2 1 -ATOM 3660 H H . GLN A 1 215 ? 0.465 11.085 -33.112 1.00 23.82 ? 205 GLN A H 1 -ATOM 3661 H HA . GLN A 1 215 ? 1.539 13.543 -32.739 1.00 26.17 ? 205 GLN A HA 1 -ATOM 3662 H HB2 . GLN A 1 215 ? -0.381 12.749 -31.547 1.00 22.85 ? 205 GLN A HB2 1 -ATOM 3663 H HB3 . GLN A 1 215 ? 0.550 11.642 -30.890 1.00 22.85 ? 205 GLN A HB3 1 -ATOM 3664 H HG2 . GLN A 1 215 ? 1.720 13.321 -29.769 1.00 20.75 ? 205 GLN A HG2 1 -ATOM 3665 H HG3 . GLN A 1 215 ? 0.736 14.403 -30.391 1.00 20.75 ? 205 GLN A HG3 1 -ATOM 3666 H HE21 . GLN A 1 215 ? -0.692 15.046 -28.864 1.00 19.83 ? 205 GLN A HE21 1 -ATOM 3667 H HE22 . GLN A 1 215 ? -1.372 14.164 -27.874 1.00 19.83 ? 205 GLN A HE22 1 -ATOM 3668 N N . THR A 1 216 ? 3.796 13.019 -31.926 1.00 17.89 ? 206 THR A N 1 -ATOM 3669 C CA . THR A 1 216 ? 5.172 12.704 -31.564 1.00 19.41 ? 206 THR A CA 1 -ATOM 3670 C C . THR A 1 216 ? 5.558 13.291 -30.207 1.00 18.60 ? 206 THR A C 1 -ATOM 3671 O O . THR A 1 216 ? 4.801 14.067 -29.570 1.00 17.52 ? 206 THR A O 1 -ATOM 3672 C CB . THR A 1 216 ? 6.152 13.315 -32.597 1.00 19.84 ? 206 THR A CB 1 -ATOM 3673 O OG1 . THR A 1 216 ? 6.036 14.730 -32.489 1.00 21.87 ? 206 THR A OG1 1 -ATOM 3674 C CG2 . THR A 1 216 ? 5.783 12.888 -33.999 1.00 23.91 ? 206 THR A CG2 1 -ATOM 3675 H H . THR A 1 216 ? 3.673 13.861 -32.054 1.00 21.47 ? 206 THR A H 1 -ATOM 3676 H HA . THR A 1 216 ? 5.239 11.737 -31.529 1.00 23.29 ? 206 THR A HA 1 -ATOM 3677 H HB . THR A 1 216 ? 7.062 13.021 -32.432 1.00 23.81 ? 206 THR A HB 1 -ATOM 3678 H HG1 . THR A 1 216 ? 6.552 15.103 -33.037 1.00 26.25 ? 206 THR A HG1 1 -ATOM 3679 H HG21 . THR A 1 216 ? 6.458 13.191 -34.626 1.00 28.70 ? 206 THR A HG21 1 -ATOM 3680 H HG22 . THR A 1 216 ? 5.722 11.921 -34.046 1.00 28.70 ? 206 THR A HG22 1 -ATOM 3681 H HG23 . THR A 1 216 ? 4.928 13.271 -34.248 1.00 28.70 ? 206 THR A HG23 1 -ATOM 3682 N N . ILE A 1 217 ? 6.769 12.948 -29.753 1.00 20.29 ? 207 ILE A N 1 -ATOM 3683 C CA . ILE A 1 217 ? 7.247 13.531 -28.511 1.00 18.86 ? 207 ILE A CA 1 -ATOM 3684 C C . ILE A 1 217 ? 7.343 15.026 -28.630 1.00 18.74 ? 207 ILE A C 1 -ATOM 3685 O O . ILE A 1 217 ? 7.032 15.750 -27.686 1.00 17.73 ? 207 ILE A O 1 -ATOM 3686 C CB . ILE A 1 217 ? 8.599 12.917 -28.079 1.00 22.03 ? 207 ILE A CB 1 -ATOM 3687 C CG1 . ILE A 1 217 ? 8.438 11.431 -27.837 1.00 28.02 ? 207 ILE A CG1 1 -ATOM 3688 C CG2 . ILE A 1 217 ? 9.187 13.653 -26.906 1.00 22.21 ? 207 ILE A CG2 1 -ATOM 3689 C CD1 . ILE A 1 217 ? 7.691 11.120 -26.603 1.00 31.06 ? 207 ILE A CD1 1 -ATOM 3690 H H . ILE A 1 217 ? 7.309 12.399 -30.136 1.00 24.34 ? 207 ILE A H 1 -ATOM 3691 H HA . ILE A 1 217 ? 6.597 13.318 -27.823 1.00 22.63 ? 207 ILE A HA 1 -ATOM 3692 H HB . ILE A 1 217 ? 9.238 13.021 -28.801 1.00 26.43 ? 207 ILE A HB 1 -ATOM 3693 H HG12 . ILE A 1 217 ? 7.957 11.042 -28.584 1.00 33.62 ? 207 ILE A HG12 1 -ATOM 3694 H HG13 . ILE A 1 217 ? 9.317 11.028 -27.763 1.00 33.62 ? 207 ILE A HG13 1 -ATOM 3695 H HG21 . ILE A 1 217 ? 9.891 13.112 -26.514 1.00 26.65 ? 207 ILE A HG21 1 -ATOM 3696 H HG22 . ILE A 1 217 ? 9.551 14.498 -27.213 1.00 26.65 ? 207 ILE A HG22 1 -ATOM 3697 H HG23 . ILE A 1 217 ? 8.489 13.812 -26.251 1.00 26.65 ? 207 ILE A HG23 1 -ATOM 3698 H HD11 . ILE A 1 217 ? 7.591 10.158 -26.529 1.00 37.27 ? 207 ILE A HD11 1 -ATOM 3699 H HD12 . ILE A 1 217 ? 8.184 11.462 -25.841 1.00 37.27 ? 207 ILE A HD12 1 -ATOM 3700 H HD13 . ILE A 1 217 ? 6.818 11.541 -26.648 1.00 37.27 ? 207 ILE A HD13 1 -ATOM 3701 N N . ASP A 1 218 ? 7.740 15.539 -29.798 1.00 18.49 ? 208 ASP A N 1 -ATOM 3702 C CA . ASP A 1 218 ? 7.784 16.984 -29.940 1.00 18.79 ? 208 ASP A CA 1 -ATOM 3703 C C . ASP A 1 218 ? 6.399 17.609 -29.778 1.00 17.21 ? 208 ASP A C 1 -ATOM 3704 O O . ASP A 1 218 ? 6.275 18.715 -29.218 1.00 17.07 ? 208 ASP A O 1 -ATOM 3705 C CB . ASP A 1 218 ? 8.322 17.379 -31.336 1.00 20.30 ? 208 ASP A CB 1 -ATOM 3706 C CG . ASP A 1 218 ? 9.781 17.134 -31.495 1.00 31.72 ? 208 ASP A CG 1 -ATOM 3707 O OD1 . ASP A 1 218 ? 10.521 17.373 -30.557 1.00 31.36 ? 208 ASP A OD1 1 -ATOM 3708 O OD2 . ASP A 1 218 ? 10.193 16.743 -32.611 1.00 47.86 ? 208 ASP A OD2 1 -ATOM 3709 H H . ASP A 1 218 ? 7.977 15.087 -30.490 1.00 22.19 ? 208 ASP A H 1 -ATOM 3710 H HA . ASP A 1 218 ? 8.382 17.326 -29.258 1.00 22.55 ? 208 ASP A HA 1 -ATOM 3711 H HB2 . ASP A 1 218 ? 7.857 16.858 -32.010 1.00 24.36 ? 208 ASP A HB2 1 -ATOM 3712 H HB3 . ASP A 1 218 ? 8.161 18.325 -31.479 1.00 24.36 ? 208 ASP A HB3 1 -ATOM 3713 N N . ASP A 1 219 ? 5.351 16.922 -30.217 1.00 15.88 ? 209 ASP A N 1 -ATOM 3714 C CA . ASP A 1 219 ? 4.009 17.430 -30.007 1.00 16.11 ? 209 ASP A CA 1 -ATOM 3715 C C . ASP A 1 219 ? 3.649 17.440 -28.530 1.00 15.88 ? 209 ASP A C 1 -ATOM 3716 O O . ASP A 1 219 ? 3.008 18.377 -28.061 1.00 15.52 ? 209 ASP A O 1 -ATOM 3717 C CB . ASP A 1 219 ? 2.988 16.569 -30.727 1.00 17.01 ? 209 ASP A CB 1 -ATOM 3718 C CG . ASP A 1 219 ? 3.073 16.668 -32.248 1.00 18.02 ? 209 ASP A CG 1 -ATOM 3719 O OD1 . ASP A 1 219 ? 3.235 17.797 -32.796 1.00 18.82 ? 209 ASP A OD1 1 -ATOM 3720 O OD2 . ASP A 1 219 ? 2.942 15.597 -32.893 1.00 20.38 ? 209 ASP A OD2 1 -ATOM 3721 H H . ASP A 1 219 ? 5.391 16.170 -30.632 1.00 19.05 ? 209 ASP A H 1 -ATOM 3722 H HA . ASP A 1 219 ? 3.981 18.331 -30.366 1.00 19.33 ? 209 ASP A HA 1 -ATOM 3723 H HB2 . ASP A 1 219 ? 3.131 15.642 -30.481 1.00 20.41 ? 209 ASP A HB2 1 -ATOM 3724 H HB3 . ASP A 1 219 ? 2.098 16.849 -30.461 1.00 20.41 ? 209 ASP A HB3 1 -ATOM 3725 N N . LEU A 1 220 ? 4.067 16.413 -27.767 1.00 14.86 ? 210 LEU A N 1 -ATOM 3726 C CA . LEU A 1 220 ? 3.791 16.378 -26.327 1.00 14.57 ? 210 LEU A CA 1 -ATOM 3727 C C . LEU A 1 220 ? 4.491 17.523 -25.622 1.00 15.85 ? 210 LEU A C 1 -ATOM 3728 O O . LEU A 1 220 ? 3.938 18.126 -24.712 1.00 15.36 ? 210 LEU A O 1 -ATOM 3729 C CB . LEU A 1 220 ? 4.256 15.056 -25.735 1.00 16.21 ? 210 LEU A CB 1 -ATOM 3730 C CG . LEU A 1 220 ? 3.616 13.771 -26.256 1.00 25.88 ? 210 LEU A CG 1 -ATOM 3731 C CD1 . LEU A 1 220 ? 4.030 12.634 -25.333 1.00 24.90 ? 210 LEU A CD1 1 -ATOM 3732 C CD2 . LEU A 1 220 ? 2.175 13.803 -26.438 1.00 29.39 ? 210 LEU A CD2 1 -ATOM 3733 H H . LEU A 1 220 ? 4.507 15.734 -28.059 1.00 17.83 ? 210 LEU A H 1 -ATOM 3734 H HA . LEU A 1 220 ? 2.834 16.457 -26.190 1.00 17.49 ? 210 LEU A HA 1 -ATOM 3735 H HB2 . LEU A 1 220 ? 5.209 14.979 -25.899 1.00 19.45 ? 210 LEU A HB2 1 -ATOM 3736 H HB3 . LEU A 1 220 ? 4.085 15.084 -24.780 1.00 19.45 ? 210 LEU A HB3 1 -ATOM 3737 H HG . LEU A 1 220 ? 3.941 13.634 -27.159 1.00 31.05 ? 210 LEU A HG 1 -ATOM 3738 H HD11 . LEU A 1 220 ? 3.618 11.812 -25.641 1.00 29.88 ? 210 LEU A HD11 1 -ATOM 3739 H HD12 . LEU A 1 220 ? 4.996 12.548 -25.352 1.00 29.88 ? 210 LEU A HD12 1 -ATOM 3740 H HD13 . LEU A 1 220 ? 3.734 12.835 -24.431 1.00 29.88 ? 210 LEU A HD13 1 -ATOM 3741 H HD21 . LEU A 1 220 ? 1.878 12.937 -26.759 1.00 35.27 ? 210 LEU A HD21 1 -ATOM 3742 H HD22 . LEU A 1 220 ? 1.753 14.003 -25.588 1.00 35.27 ? 210 LEU A HD22 1 -ATOM 3743 H HD23 . LEU A 1 220 ? 1.954 14.489 -27.087 1.00 35.27 ? 210 LEU A HD23 1 -ATOM 3744 N N . VAL A 1 221 ? 5.715 17.857 -26.049 1.00 15.18 ? 211 VAL A N 1 -ATOM 3745 C CA . VAL A 1 221 ? 6.401 19.006 -25.500 1.00 15.63 ? 211 VAL A CA 1 -ATOM 3746 C C . VAL A 1 221 ? 5.625 20.286 -25.784 1.00 15.36 ? 211 VAL A C 1 -ATOM 3747 O O . VAL A 1 221 ? 5.474 21.155 -24.909 1.00 16.51 ? 211 VAL A O 1 -ATOM 3748 C CB . VAL A 1 221 ? 7.838 19.099 -26.046 1.00 18.02 ? 211 VAL A CB 1 -ATOM 3749 C CG1 . VAL A 1 221 ? 8.460 20.404 -25.590 1.00 19.99 ? 211 VAL A CG1 1 -ATOM 3750 C CG2 . VAL A 1 221 ? 8.652 17.896 -25.589 1.00 18.07 ? 211 VAL A CG2 1 -ATOM 3751 H H . VAL A 1 221 ? 6.158 17.431 -26.651 1.00 18.22 ? 211 VAL A H 1 -ATOM 3752 H HA . VAL A 1 221 ? 6.450 18.887 -24.539 1.00 18.75 ? 211 VAL A HA 1 -ATOM 3753 H HB . VAL A 1 221 ? 7.834 19.089 -27.016 1.00 21.62 ? 211 VAL A HB 1 -ATOM 3754 H HG11 . VAL A 1 221 ? 9.426 20.329 -25.640 1.00 23.99 ? 211 VAL A HG11 1 -ATOM 3755 H HG12 . VAL A 1 221 ? 8.153 21.119 -26.169 1.00 23.99 ? 211 VAL A HG12 1 -ATOM 3756 H HG13 . VAL A 1 221 ? 8.189 20.581 -24.675 1.00 23.99 ? 211 VAL A HG13 1 -ATOM 3757 H HG21 . VAL A 1 221 ? 9.558 17.981 -25.926 1.00 21.69 ? 211 VAL A HG21 1 -ATOM 3758 H HG22 . VAL A 1 221 ? 8.661 17.870 -24.619 1.00 21.69 ? 211 VAL A HG22 1 -ATOM 3759 H HG23 . VAL A 1 221 ? 8.244 17.088 -25.938 1.00 21.69 ? 211 VAL A HG23 1 -ATOM 3760 N N . ASP A 1 222 ? 5.091 20.428 -27.008 1.00 15.65 ? 212 ASP A N 1 -ATOM 3761 C CA . ASP A 1 222 ? 4.291 21.593 -27.323 1.00 15.52 ? 212 ASP A CA 1 -ATOM 3762 C C . ASP A 1 222 ? 3.033 21.633 -26.432 1.00 14.99 ? 212 ASP A C 1 -ATOM 3763 O O . ASP A 1 222 ? 2.587 22.733 -26.065 1.00 15.71 ? 212 ASP A O 1 -ATOM 3764 C CB . ASP A 1 222 ? 3.887 21.535 -28.810 1.00 15.72 ? 212 ASP A CB 1 -ATOM 3765 C CG . ASP A 1 222 ? 4.976 21.954 -29.763 1.00 19.01 ? 212 ASP A CG 1 -ATOM 3766 O OD1 . ASP A 1 222 ? 5.881 22.699 -29.347 1.00 21.66 ? 212 ASP A OD1 1 -ATOM 3767 O OD2 . ASP A 1 222 ? 4.874 21.561 -30.959 1.00 19.04 ? 212 ASP A OD2 1 -ATOM 3768 H H . ASP A 1 222 ? 5.183 19.869 -27.655 1.00 18.78 ? 212 ASP A H 1 -ATOM 3769 H HA . ASP A 1 222 ? 4.804 22.402 -27.170 1.00 18.63 ? 212 ASP A HA 1 -ATOM 3770 H HB2 . ASP A 1 222 ? 3.640 20.624 -29.029 1.00 18.86 ? 212 ASP A HB2 1 -ATOM 3771 H HB3 . ASP A 1 222 ? 3.131 22.127 -28.949 1.00 18.86 ? 212 ASP A HB3 1 -ATOM 3772 N N . ASP A 1 223 ? 2.410 20.484 -26.148 1.00 15.39 ? 213 ASP A N 1 -ATOM 3773 C CA . ASP A 1 223 ? 1.277 20.448 -25.201 1.00 14.05 ? 213 ASP A CA 1 -ATOM 3774 C C . ASP A 1 223 ? 1.682 20.997 -23.837 1.00 15.22 ? 213 ASP A C 1 -ATOM 3775 O O . ASP A 1 223 ? 0.980 21.832 -23.271 1.00 15.47 ? 213 ASP A O 1 -ATOM 3776 C CB . ASP A 1 223 ? 0.745 19.030 -25.051 1.00 14.44 ? 213 ASP A CB 1 -ATOM 3777 C CG . ASP A 1 223 ? -0.070 18.544 -26.238 1.00 15.38 ? 213 ASP A CG 1 -ATOM 3778 O OD1 . ASP A 1 223 ? -0.875 19.341 -26.781 1.00 15.21 ? 213 ASP A OD1 1 -ATOM 3779 O OD2 . ASP A 1 223 ? 0.103 17.334 -26.595 1.00 16.66 ? 213 ASP A OD2 1 -ATOM 3780 H H . ASP A 1 223 ? 2.617 19.719 -26.482 1.00 18.47 ? 213 ASP A H 1 -ATOM 3781 H HA . ASP A 1 223 ? 0.567 21.001 -25.563 1.00 16.86 ? 213 ASP A HA 1 -ATOM 3782 H HB2 . ASP A 1 223 ? 1.496 18.426 -24.942 1.00 17.33 ? 213 ASP A HB2 1 -ATOM 3783 H HB3 . ASP A 1 223 ? 0.174 18.994 -24.267 1.00 17.33 ? 213 ASP A HB3 1 -ATOM 3784 N N . LEU A 1 224 ? 2.829 20.544 -23.318 1.00 15.00 ? 214 LEU A N 1 -ATOM 3785 C CA . LEU A 1 224 ? 3.287 21.019 -22.007 1.00 14.61 ? 214 LEU A CA 1 -ATOM 3786 C C . LEU A 1 224 ? 3.508 22.518 -22.036 1.00 16.15 ? 214 LEU A C 1 -ATOM 3787 O O . LEU A 1 224 ? 3.131 23.231 -21.104 1.00 16.08 ? 214 LEU A O 1 -ATOM 3788 C CB . LEU A 1 224 ? 4.570 20.315 -21.589 1.00 16.27 ? 214 LEU A CB 1 -ATOM 3789 C CG . LEU A 1 224 ? 4.415 18.836 -21.284 1.00 15.00 ? 214 LEU A CG 1 -ATOM 3790 C CD1 . LEU A 1 224 ? 5.812 18.257 -21.004 1.00 17.45 ? 214 LEU A CD1 1 -ATOM 3791 C CD2 . LEU A 1 224 ? 3.477 18.615 -20.072 1.00 16.27 ? 214 LEU A CD2 1 -ATOM 3792 H H . LEU A 1 224 ? 3.350 19.974 -23.696 1.00 18.00 ? 214 LEU A H 1 -ATOM 3793 H HA . LEU A 1 224 ? 2.606 20.806 -21.351 1.00 17.54 ? 214 LEU A HA 1 -ATOM 3794 H HB2 . LEU A 1 224 ? 5.215 20.399 -22.308 1.00 19.52 ? 214 LEU A HB2 1 -ATOM 3795 H HB3 . LEU A 1 224 ? 4.909 20.745 -20.787 1.00 19.52 ? 214 LEU A HB3 1 -ATOM 3796 H HG . LEU A 1 224 ? 4.013 18.377 -22.038 1.00 18.01 ? 214 LEU A HG 1 -ATOM 3797 H HD11 . LEU A 1 224 ? 5.727 17.313 -20.796 1.00 20.94 ? 214 LEU A HD11 1 -ATOM 3798 H HD12 . LEU A 1 224 ? 6.366 18.373 -21.792 1.00 20.94 ? 214 LEU A HD12 1 -ATOM 3799 H HD13 . LEU A 1 224 ? 6.204 18.727 -20.252 1.00 20.94 ? 214 LEU A HD13 1 -ATOM 3800 H HD21 . LEU A 1 224 ? 3.501 17.678 -19.822 1.00 19.53 ? 214 LEU A HD21 1 -ATOM 3801 H HD22 . LEU A 1 224 ? 3.783 19.162 -19.332 1.00 19.53 ? 214 LEU A HD22 1 -ATOM 3802 H HD23 . LEU A 1 224 ? 2.575 18.868 -20.320 1.00 19.53 ? 214 LEU A HD23 1 -ATOM 3803 N N . LEU A 1 225 ? 4.166 23.031 -23.080 1.00 15.41 ? 215 LEU A N 1 -ATOM 3804 C CA . LEU A 1 225 ? 4.442 24.456 -23.145 1.00 17.79 ? 215 LEU A CA 1 -ATOM 3805 C C . LEU A 1 225 ? 3.184 25.271 -23.343 1.00 15.83 ? 215 LEU A C 1 -ATOM 3806 O O . LEU A 1 225 ? 3.113 26.406 -22.848 1.00 18.32 ? 215 LEU A O 1 -ATOM 3807 C CB . LEU A 1 225 ? 5.495 24.738 -24.221 1.00 17.91 ? 215 LEU A CB 1 -ATOM 3808 C CG . LEU A 1 225 ? 6.840 24.135 -23.881 1.00 21.55 ? 215 LEU A CG 1 -ATOM 3809 C CD1 . LEU A 1 225 ? 7.767 24.246 -25.090 1.00 28.55 ? 215 LEU A CD1 1 -ATOM 3810 C CD2 . LEU A 1 225 ? 7.406 24.843 -22.665 1.00 27.88 ? 215 LEU A CD2 1 -ATOM 3811 H H . LEU A 1 225 ? 4.457 22.578 -23.751 1.00 18.49 ? 215 LEU A H 1 -ATOM 3812 H HA . LEU A 1 225 ? 4.821 24.746 -22.301 1.00 21.35 ? 215 LEU A HA 1 -ATOM 3813 H HB2 . LEU A 1 225 ? 5.197 24.359 -25.062 1.00 21.50 ? 215 LEU A HB2 1 -ATOM 3814 H HB3 . LEU A 1 225 ? 5.607 25.697 -24.310 1.00 21.50 ? 215 LEU A HB3 1 -ATOM 3815 H HG . LEU A 1 225 ? 6.758 23.192 -23.665 1.00 25.86 ? 215 LEU A HG 1 -ATOM 3816 H HD11 . LEU A 1 225 ? 8.629 23.864 -24.864 1.00 34.26 ? 215 LEU A HD11 1 -ATOM 3817 H HD12 . LEU A 1 225 ? 7.375 23.762 -25.834 1.00 34.26 ? 215 LEU A HD12 1 -ATOM 3818 H HD13 . LEU A 1 225 ? 7.871 25.182 -25.323 1.00 34.26 ? 215 LEU A HD13 1 -ATOM 3819 H HD21 . LEU A 1 225 ? 8.362 24.684 -22.623 1.00 33.45 ? 215 LEU A HD21 1 -ATOM 3820 H HD22 . LEU A 1 225 ? 7.232 25.794 -22.743 1.00 33.45 ? 215 LEU A HD22 1 -ATOM 3821 H HD23 . LEU A 1 225 ? 6.978 24.493 -21.868 1.00 33.45 ? 215 LEU A HD23 1 -ATOM 3822 N N . PHE A 1 226 ? 2.196 24.737 -24.053 1.00 15.59 ? 216 PHE A N 1 -ATOM 3823 C CA . PHE A 1 226 ? 0.900 25.400 -24.185 1.00 16.73 ? 216 PHE A CA 1 -ATOM 3824 C C . PHE A 1 226 ? 0.239 25.532 -22.823 1.00 14.95 ? 216 PHE A C 1 -ATOM 3825 O O . PHE A 1 226 ? -0.302 26.590 -22.470 1.00 17.25 ? 216 PHE A O 1 -ATOM 3826 C CB . PHE A 1 226 ? 0.043 24.604 -25.174 1.00 16.29 ? 216 PHE A CB 1 -ATOM 3827 C CG . PHE A 1 226 ? -1.390 25.040 -25.223 1.00 15.08 ? 216 PHE A CG 1 -ATOM 3828 C CD1 . PHE A 1 226 ? -1.751 26.185 -25.884 1.00 16.88 ? 216 PHE A CD1 1 -ATOM 3829 C CD2 . PHE A 1 226 ? -2.373 24.299 -24.606 1.00 17.78 ? 216 PHE A CD2 1 -ATOM 3830 C CE1 . PHE A 1 226 ? -3.058 26.573 -25.904 1.00 19.06 ? 216 PHE A CE1 1 -ATOM 3831 C CE2 . PHE A 1 226 ? -3.685 24.735 -24.647 1.00 16.46 ? 216 PHE A CE2 1 -ATOM 3832 C CZ . PHE A 1 226 ? -3.997 25.822 -25.326 1.00 17.05 ? 216 PHE A CZ 1 -ATOM 3833 H H . PHE A 1 226 ? 2.247 23.987 -24.471 1.00 18.71 ? 216 PHE A H 1 -ATOM 3834 H HA . PHE A 1 226 ? 1.003 26.297 -24.541 1.00 20.07 ? 216 PHE A HA 1 -ATOM 3835 H HB2 . PHE A 1 226 ? 0.415 24.709 -26.064 1.00 19.55 ? 216 PHE A HB2 1 -ATOM 3836 H HB3 . PHE A 1 226 ? 0.059 23.669 -24.917 1.00 19.55 ? 216 PHE A HB3 1 -ATOM 3837 H HD1 . PHE A 1 226 ? -1.107 26.695 -26.319 1.00 20.25 ? 216 PHE A HD1 1 -ATOM 3838 H HD2 . PHE A 1 226 ? -2.156 23.509 -24.165 1.00 21.33 ? 216 PHE A HD2 1 -ATOM 3839 H HE1 . PHE A 1 226 ? -3.297 27.368 -26.323 1.00 22.88 ? 216 PHE A HE1 1 -ATOM 3840 H HE2 . PHE A 1 226 ? -4.346 24.263 -24.196 1.00 19.75 ? 216 PHE A HE2 1 -ATOM 3841 H HZ . PHE A 1 226 ? -4.890 26.070 -25.404 1.00 20.46 ? 216 PHE A HZ 1 -ATOM 3842 N N . LEU A 1 227 ? 0.254 24.456 -22.062 1.00 14.80 ? 217 LEU A N 1 -ATOM 3843 C CA . LEU A 1 227 ? -0.379 24.471 -20.727 1.00 14.58 ? 217 LEU A CA 1 -ATOM 3844 C C . LEU A 1 227 ? 0.306 25.491 -19.841 1.00 17.19 ? 217 LEU A C 1 -ATOM 3845 O O . LEU A 1 227 ? -0.361 26.266 -19.150 1.00 17.77 ? 217 LEU A O 1 -ATOM 3846 C CB . LEU A 1 227 ? -0.323 23.072 -20.118 1.00 15.88 ? 217 LEU A CB 1 -ATOM 3847 C CG . LEU A 1 227 ? -1.108 22.028 -20.813 1.00 16.17 ? 217 LEU A CG 1 -ATOM 3848 C CD1 . LEU A 1 227 ? -0.757 20.637 -20.385 1.00 21.35 ? 217 LEU A CD1 1 -ATOM 3849 C CD2 . LEU A 1 227 ? -2.610 22.290 -20.735 1.00 15.96 ? 217 LEU A CD2 1 -ATOM 3850 H H . LEU A 1 227 ? 0.616 23.706 -22.278 1.00 17.76 ? 217 LEU A H 1 -ATOM 3851 H HA . LEU A 1 227 ? -1.315 24.715 -20.800 1.00 17.49 ? 217 LEU A HA 1 -ATOM 3852 H HB2 . LEU A 1 227 ? 0.603 22.781 -20.116 1.00 19.05 ? 217 LEU A HB2 1 -ATOM 3853 H HB3 . LEU A 1 227 ? -0.656 23.125 -19.209 1.00 19.05 ? 217 LEU A HB3 1 -ATOM 3854 H HG . LEU A 1 227 ? -0.862 22.079 -21.750 1.00 19.40 ? 217 LEU A HG 1 -ATOM 3855 H HD11 . LEU A 1 227 ? -1.404 20.018 -20.759 1.00 25.63 ? 217 LEU A HD11 1 -ATOM 3856 H HD12 . LEU A 1 227 ? 0.132 20.422 -20.708 1.00 25.63 ? 217 LEU A HD12 1 -ATOM 3857 H HD13 . LEU A 1 227 ? -0.777 20.590 -19.416 1.00 25.63 ? 217 LEU A HD13 1 -ATOM 3858 H HD21 . LEU A 1 227 ? -3.083 21.534 -21.117 1.00 19.15 ? 217 LEU A HD21 1 -ATOM 3859 H HD22 . LEU A 1 227 ? -2.863 22.402 -19.805 1.00 19.15 ? 217 LEU A HD22 1 -ATOM 3860 H HD23 . LEU A 1 227 ? -2.817 23.096 -21.233 1.00 19.15 ? 217 LEU A HD23 1 -ATOM 3861 N N . LYS A 1 228 ? 1.626 25.510 -19.862 1.00 16.40 ? 218 LYS A N 1 -ATOM 3862 C CA . LYS A 1 228 ? 2.392 26.465 -19.065 1.00 19.33 ? 218 LYS A CA 1 -ATOM 3863 C C . LYS A 1 228 ? 2.084 27.894 -19.464 1.00 20.68 ? 218 LYS A C 1 -ATOM 3864 O O . LYS A 1 228 ? 1.922 28.769 -18.599 1.00 21.61 ? 218 LYS A O 1 -ATOM 3865 C CB . LYS A 1 228 ? 3.885 26.137 -19.230 1.00 22.02 ? 218 LYS A CB 1 -ATOM 3866 C CG . LYS A 1 228 ? 4.874 27.049 -18.506 1.00 23.39 ? 218 LYS A CG 1 -ATOM 3867 C CD . LYS A 1 228 ? 4.733 26.957 -17.060 1.00 27.01 ? 218 LYS A CD 1 -ATOM 3868 C CE . LYS A 1 228 ? 5.954 27.565 -16.354 0.85 30.79 ? 218 LYS A CE 1 -ATOM 3869 N NZ . LYS A 1 228 ? 5.612 27.692 -14.936 0.39 18.29 ? 218 LYS A NZ 1 -ATOM 3870 H H . LYS A 1 228 ? 2.112 24.978 -20.331 1.00 19.68 ? 218 LYS A H 1 -ATOM 3871 H HA . LYS A 1 228 ? 2.158 26.387 -18.127 1.00 23.19 ? 218 LYS A HA 1 -ATOM 3872 H HB2 . LYS A 1 228 ? 4.033 25.238 -18.898 1.00 26.42 ? 218 LYS A HB2 1 -ATOM 3873 H HB3 . LYS A 1 228 ? 4.099 26.181 -20.175 1.00 26.42 ? 218 LYS A HB3 1 -ATOM 3874 H HG2 . LYS A 1 228 ? 5.779 26.789 -18.740 1.00 28.07 ? 218 LYS A HG2 1 -ATOM 3875 H HG3 . LYS A 1 228 ? 4.714 27.968 -18.769 1.00 28.07 ? 218 LYS A HG3 1 -ATOM 3876 H HD2 . LYS A 1 228 ? 3.942 27.443 -16.781 1.00 32.42 ? 218 LYS A HD2 1 -ATOM 3877 H HD3 . LYS A 1 228 ? 4.659 26.025 -16.800 1.00 32.42 ? 218 LYS A HD3 1 -ATOM 3878 H HE2 . LYS A 1 228 ? 6.724 26.984 -16.450 0.78 36.95 ? 218 LYS A HE2 1 -ATOM 3879 H HE3 . LYS A 1 228 ? 6.153 28.442 -16.718 0.79 36.95 ? 218 LYS A HE3 1 -ATOM 3880 H HZ1 . LYS A 1 228 ? 6.326 27.515 -14.434 0.36 21.95 ? 218 LYS A HZ1 1 -ATOM 3881 H HZ2 . LYS A 1 228 ? 5.335 28.520 -14.762 0.42 21.95 ? 218 LYS A HZ2 1 -ATOM 3882 H HZ3 . LYS A 1 228 ? 4.963 27.120 -14.727 0.43 21.95 ? 218 LYS A HZ3 1 -ATOM 3883 N N . GLU A 1 229 ? 2.018 28.157 -20.773 1.00 19.05 ? 219 GLU A N 1 -ATOM 3884 C CA . GLU A 1 229 ? 1.783 29.506 -21.276 1.00 20.33 ? 219 GLU A CA 1 -ATOM 3885 C C . GLU A 1 229 ? 0.503 30.100 -20.710 1.00 19.78 ? 219 GLU A C 1 -ATOM 3886 O O . GLU A 1 229 ? 0.461 31.288 -20.374 1.00 22.07 ? 219 GLU A O 1 -ATOM 3887 C CB . GLU A 1 229 ? 1.716 29.458 -22.821 1.00 21.67 ? 219 GLU A CB 1 -ATOM 3888 C CG . GLU A 1 229 ? 1.252 30.773 -23.506 1.00 26.00 ? 219 GLU A CG 1 -ATOM 3889 C CD . GLU A 1 229 ? 1.211 30.683 -25.037 1.00 43.85 ? 219 GLU A CD 1 -ATOM 3890 O OE1 . GLU A 1 229 ? 1.317 29.564 -25.601 1.00 35.10 ? 219 GLU A OE1 1 -ATOM 3891 O OE2 . GLU A 1 229 ? 1.046 31.749 -25.663 1.00 55.70 ? 219 GLU A OE2 1 -ATOM 3892 H H . GLU A 1 229 ? 2.107 27.567 -21.392 1.00 22.86 ? 219 GLU A H 1 -ATOM 3893 H HA . GLU A 1 229 ? 2.516 30.082 -21.006 1.00 24.40 ? 219 GLU A HA 1 -ATOM 3894 H HB2 . GLU A 1 229 ? 2.602 29.252 -23.159 1.00 26.00 ? 219 GLU A HB2 1 -ATOM 3895 H HB3 . GLU A 1 229 ? 1.093 28.761 -23.079 1.00 26.00 ? 219 GLU A HB3 1 -ATOM 3896 H HG2 . GLU A 1 229 ? 0.357 30.988 -23.197 1.00 31.21 ? 219 GLU A HG2 1 -ATOM 3897 H HG3 . GLU A 1 229 ? 1.865 31.485 -23.266 1.00 31.21 ? 219 GLU A HG3 1 -ATOM 3898 N N . HIS A 1 230 ? -0.549 29.301 -20.603 1.00 17.82 ? 220 HIS A N 1 -ATOM 3899 C CA . HIS A 1 230 ? -1.849 29.807 -20.213 1.00 19.87 ? 220 HIS A CA 1 -ATOM 3900 C C . HIS A 1 230 ? -2.186 29.605 -18.745 1.00 19.42 ? 220 HIS A C 1 -ATOM 3901 O O . HIS A 1 230 ? -3.256 30.062 -18.311 1.00 21.77 ? 220 HIS A O 1 -ATOM 3902 C CB . HIS A 1 230 ? -2.916 29.187 -21.100 1.00 21.62 ? 220 HIS A CB 1 -ATOM 3903 C CG . HIS A 1 230 ? -2.751 29.592 -22.529 1.00 22.23 ? 220 HIS A CG 1 -ATOM 3904 N ND1 . HIS A 1 230 ? -3.063 30.862 -23.003 1.00 27.57 ? 220 HIS A ND1 1 -ATOM 3905 C CD2 . HIS A 1 230 ? -2.267 28.908 -23.586 1.00 20.79 ? 220 HIS A CD2 1 -ATOM 3906 C CE1 . HIS A 1 230 ? -2.780 30.921 -24.287 1.00 24.01 ? 220 HIS A CE1 1 -ATOM 3907 N NE2 . HIS A 1 230 ? -2.326 29.746 -24.676 1.00 24.01 ? 220 HIS A NE2 1 -ATOM 3908 H H . HIS A 1 230 ? -0.532 28.454 -20.753 1.00 21.39 ? 220 HIS A H 1 -ATOM 3909 H HA . HIS A 1 230 ? -1.859 30.767 -20.353 1.00 23.85 ? 220 HIS A HA 1 -ATOM 3910 H HB2 . HIS A 1 230 ? -2.854 28.221 -21.048 1.00 25.95 ? 220 HIS A HB2 1 -ATOM 3911 H HB3 . HIS A 1 230 ? -3.791 29.480 -20.800 1.00 25.95 ? 220 HIS A HB3 1 -ATOM 3912 H HD1 . HIS A 1 230 ? -3.388 31.505 -22.533 1.00 33.09 ? 220 HIS A HD1 1 -ATOM 3913 H HD2 . HIS A 1 230 ? -1.952 28.033 -23.579 1.00 24.95 ? 220 HIS A HD2 1 -ATOM 3914 H HE1 . HIS A 1 230 ? -2.884 31.668 -24.830 1.00 28.82 ? 220 HIS A HE1 1 -ATOM 3915 N N . ASP A 1 231 ? -1.341 28.945 -17.996 1.00 17.38 ? 221 ASP A N 1 -ATOM 3916 C CA . ASP A 1 231 ? -1.525 28.868 -16.531 1.00 19.27 ? 221 ASP A CA 1 -ATOM 3917 C C . ASP A 1 231 ? -2.908 28.323 -16.195 1.00 18.64 ? 221 ASP A C 1 -ATOM 3918 O O . ASP A 1 231 ? -3.615 28.878 -15.348 1.00 18.64 ? 221 ASP A O 1 -ATOM 3919 C CB . ASP A 1 231 ? -1.264 30.247 -15.906 1.00 21.99 ? 221 ASP A CB 1 -ATOM 3920 C CG . ASP A 1 231 ? -1.367 30.247 -14.398 1.00 24.55 ? 221 ASP A CG 1 -ATOM 3921 O OD1 . ASP A 1 231 ? -0.956 29.262 -13.784 1.00 23.23 ? 221 ASP A OD1 1 -ATOM 3922 O OD2 . ASP A 1 231 ? -1.797 31.293 -13.835 1.00 29.47 ? 221 ASP A OD2 1 -ATOM 3923 H H . ASP A 1 231 ? -0.650 28.528 -18.292 1.00 20.85 ? 221 ASP A H 1 -ATOM 3924 H HA . ASP A 1 231 ? -0.889 28.247 -16.143 1.00 23.13 ? 221 ASP A HA 1 -ATOM 3925 H HB2 . ASP A 1 231 ? -0.370 30.536 -16.145 1.00 26.39 ? 221 ASP A HB2 1 -ATOM 3926 H HB3 . ASP A 1 231 ? -1.918 30.876 -16.249 1.00 26.39 ? 221 ASP A HB3 1 -ATOM 3927 N N . PHE A 1 232 ? -3.311 27.222 -16.853 1.00 16.90 ? 222 PHE A N 1 -ATOM 3928 C CA . PHE A 1 232 ? -4.659 26.719 -16.665 1.00 15.74 ? 222 PHE A CA 1 -ATOM 3929 C C . PHE A 1 232 ? -4.893 26.294 -15.224 1.00 15.07 ? 222 PHE A C 1 -ATOM 3930 O O . PHE A 1 232 ? -4.029 25.741 -14.547 1.00 16.16 ? 222 PHE A O 1 -ATOM 3931 C CB . PHE A 1 232 ? -4.882 25.509 -17.591 1.00 16.41 ? 222 PHE A CB 1 -ATOM 3932 C CG . PHE A 1 232 ? -5.007 25.902 -19.050 1.00 15.39 ? 222 PHE A CG 1 -ATOM 3933 C CD1 . PHE A 1 232 ? -6.107 26.661 -19.493 1.00 15.06 ? 222 PHE A CD1 1 -ATOM 3934 C CD2 . PHE A 1 232 ? -4.019 25.592 -19.965 1.00 16.37 ? 222 PHE A CD2 1 -ATOM 3935 C CE1 . PHE A 1 232 ? -6.221 27.046 -20.825 1.00 16.53 ? 222 PHE A CE1 1 -ATOM 3936 C CE2 . PHE A 1 232 ? -4.144 25.983 -21.292 1.00 16.07 ? 222 PHE A CE2 1 -ATOM 3937 C CZ . PHE A 1 232 ? -5.189 26.693 -21.707 1.00 17.08 ? 222 PHE A CZ 1 -ATOM 3938 H H . PHE A 1 232 ? -2.826 26.768 -17.399 1.00 20.28 ? 222 PHE A H 1 -ATOM 3939 H HA . PHE A 1 232 ? -5.296 27.418 -16.879 1.00 18.89 ? 222 PHE A HA 1 -ATOM 3940 H HB2 . PHE A 1 232 ? -4.128 24.904 -17.506 1.00 19.69 ? 222 PHE A HB2 1 -ATOM 3941 H HB3 . PHE A 1 232 ? -5.700 25.059 -17.329 1.00 19.69 ? 222 PHE A HB3 1 -ATOM 3942 H HD1 . PHE A 1 232 ? -6.767 26.908 -18.886 1.00 18.07 ? 222 PHE A HD1 1 -ATOM 3943 H HD2 . PHE A 1 232 ? -3.266 25.120 -19.691 1.00 19.64 ? 222 PHE A HD2 1 -ATOM 3944 H HE1 . PHE A 1 232 ? -6.961 27.524 -21.122 1.00 19.84 ? 222 PHE A HE1 1 -ATOM 3945 H HE2 . PHE A 1 232 ? -3.484 25.743 -21.902 1.00 19.28 ? 222 PHE A HE2 1 -ATOM 3946 H HZ . PHE A 1 232 ? -5.236 26.961 -22.597 1.00 20.50 ? 222 PHE A HZ 1 -ATOM 3947 N N . ASP A 1 233 ? -6.114 26.512 -14.803 1.00 14.07 ? 223 ASP A N 1 -ATOM 3948 C CA . ASP A 1 233 ? -6.530 26.137 -13.451 1.00 14.74 ? 223 ASP A CA 1 -ATOM 3949 C C . ASP A 1 233 ? -6.606 24.656 -13.281 1.00 13.82 ? 223 ASP A C 1 -ATOM 3950 O O . ASP A 1 233 ? -6.345 24.141 -12.170 1.00 15.96 ? 223 ASP A O 1 -ATOM 3951 C CB . ASP A 1 233 ? -7.861 26.793 -13.101 1.00 14.56 ? 223 ASP A CB 1 -ATOM 3952 C CG . ASP A 1 233 ? -7.797 28.277 -13.256 1.00 18.10 ? 223 ASP A CG 1 -ATOM 3953 O OD1 . ASP A 1 233 ? -6.960 28.910 -12.558 1.00 18.24 ? 223 ASP A OD1 1 -ATOM 3954 O OD2 . ASP A 1 233 ? -8.504 28.848 -14.127 1.00 19.28 ? 223 ASP A OD2 1 -ATOM 3955 H H . ASP A 1 233 ? -6.735 26.877 -15.273 1.00 16.89 ? 223 ASP A H 1 -ATOM 3956 H HA . ASP A 1 233 ? -5.864 26.468 -12.829 1.00 17.69 ? 223 ASP A HA 1 -ATOM 3957 H HB2 . ASP A 1 233 ? -8.551 26.454 -13.692 1.00 17.47 ? 223 ASP A HB2 1 -ATOM 3958 H HB3 . ASP A 1 233 ? -8.085 26.592 -12.179 1.00 17.47 ? 223 ASP A HB3 1 -ATOM 3959 N N . MET A 1 234 ? -7.010 23.943 -14.329 1.00 13.45 ? 224 MET A N 1 -ATOM 3960 C CA A MET A 1 234 ? -7.125 22.500 -14.307 0.61 14.69 ? 224 MET A CA 1 -ATOM 3961 C CA B MET A 1 234 ? -7.126 22.502 -14.310 0.39 12.71 ? 224 MET A CA 1 -ATOM 3962 C C . MET A 1 234 ? -6.480 21.961 -15.564 1.00 12.55 ? 224 MET A C 1 -ATOM 3963 O O . MET A 1 234 ? -6.535 22.600 -16.636 1.00 13.25 ? 224 MET A O 1 -ATOM 3964 C CB A MET A 1 234 ? -8.580 21.953 -14.247 0.61 18.43 ? 224 MET A CB 1 -ATOM 3965 C CB B MET A 1 234 ? -8.587 22.049 -14.266 0.39 19.07 ? 224 MET A CB 1 -ATOM 3966 C CG A MET A 1 234 ? -9.471 22.598 -13.228 0.61 53.62 ? 224 MET A CG 1 -ATOM 3967 C CG B MET A 1 234 ? -9.343 22.617 -13.116 0.39 12.73 ? 224 MET A CG 1 -ATOM 3968 S SD A MET A 1 234 ? -10.493 23.873 -13.961 0.61 16.31 ? 224 MET A SD 1 -ATOM 3969 S SD B MET A 1 234 ? -11.129 22.466 -13.330 0.39 36.20 ? 224 MET A SD 1 -ATOM 3970 C CE A MET A 1 234 ? -11.834 22.957 -14.771 0.61 14.91 ? 224 MET A CE 1 -ATOM 3971 C CE B MET A 1 234 ? -11.422 23.695 -14.597 0.39 41.23 ? 224 MET A CE 1 -ATOM 3972 H H A MET A 1 234 ? -7.229 24.289 -15.085 0.61 16.14 ? 224 MET A H 1 -ATOM 3973 H H B MET A 1 234 ? -7.229 24.290 -15.085 0.39 16.14 ? 224 MET A H 1 -ATOM 3974 H HA A MET A 1 234 ? -6.686 22.190 -13.500 0.61 17.63 ? 224 MET A HA 1 -ATOM 3975 H HA B MET A 1 234 ? -6.685 22.150 -13.521 0.39 15.25 ? 224 MET A HA 1 -ATOM 3976 H HB2 A MET A 1 234 ? -8.992 22.086 -15.115 0.61 22.11 ? 224 MET A HB2 1 -ATOM 3977 H HB2 B MET A 1 234 ? -9.028 22.331 -15.083 0.39 22.88 ? 224 MET A HB2 1 -ATOM 3978 H HB3 A MET A 1 234 ? -8.541 21.007 -14.039 0.61 22.11 ? 224 MET A HB3 1 -ATOM 3979 H HB3 B MET A 1 234 ? -8.613 21.082 -14.193 0.39 22.88 ? 224 MET A HB3 1 -ATOM 3980 H HG2 A MET A 1 234 ? -10.052 21.926 -12.839 0.61 64.35 ? 224 MET A HG2 1 -ATOM 3981 H HG2 B MET A 1 234 ? -9.094 22.144 -12.306 0.39 15.27 ? 224 MET A HG2 1 -ATOM 3982 H HG3 A MET A 1 234 ? -8.925 23.004 -12.536 0.61 64.35 ? 224 MET A HG3 1 -ATOM 3983 H HG3 B MET A 1 234 ? -9.128 23.559 -13.028 0.39 15.27 ? 224 MET A HG3 1 -ATOM 3984 H HE1 A MET A 1 234 ? -12.436 23.588 -15.197 0.61 17.89 ? 224 MET A HE1 1 -ATOM 3985 H HE1 B MET A 1 234 ? -12.371 23.727 -14.793 0.39 49.47 ? 224 MET A HE1 1 -ATOM 3986 H HE2 A MET A 1 234 ? -11.454 22.363 -15.436 0.61 17.89 ? 224 MET A HE2 1 -ATOM 3987 H HE2 B MET A 1 234 ? -11.121 24.559 -14.275 0.39 49.47 ? 224 MET A HE2 1 -ATOM 3988 H HE3 A MET A 1 234 ? -12.314 22.442 -14.103 0.61 17.89 ? 224 MET A HE3 1 -ATOM 3989 H HE3 B MET A 1 234 ? -10.928 23.449 -15.395 0.39 49.47 ? 224 MET A HE3 1 -ATOM 3990 N N . VAL A 1 235 ? -5.933 20.756 -15.477 1.00 12.33 ? 225 VAL A N 1 -ATOM 3991 C CA . VAL A 1 235 ? -5.377 20.089 -16.647 1.00 12.22 ? 225 VAL A CA 1 -ATOM 3992 C C . VAL A 1 235 ? -5.762 18.628 -16.604 1.00 12.38 ? 225 VAL A C 1 -ATOM 3993 O O . VAL A 1 235 ? -5.327 17.909 -15.688 1.00 13.45 ? 225 VAL A O 1 -ATOM 3994 C CB . VAL A 1 235 ? -3.863 20.205 -16.693 1.00 13.28 ? 225 VAL A CB 1 -ATOM 3995 C CG1 . VAL A 1 235 ? -3.346 19.508 -17.986 1.00 14.18 ? 225 VAL A CG1 1 -ATOM 3996 C CG2 . VAL A 1 235 ? -3.392 21.609 -16.661 1.00 14.96 ? 225 VAL A CG2 1 -ATOM 3997 H H . VAL A 1 235 ? -5.872 20.303 -14.749 1.00 14.79 ? 225 VAL A H 1 -ATOM 3998 H HA . VAL A 1 235 ? -5.761 20.484 -17.446 1.00 14.66 ? 225 VAL A HA 1 -ATOM 3999 H HB . VAL A 1 235 ? -3.503 19.775 -15.901 1.00 15.93 ? 225 VAL A HB 1 -ATOM 4000 H HG11 . VAL A 1 235 ? -2.411 19.733 -18.114 1.00 17.02 ? 225 VAL A HG11 1 -ATOM 4001 H HG12 . VAL A 1 235 ? -3.445 18.548 -17.888 1.00 17.02 ? 225 VAL A HG12 1 -ATOM 4002 H HG13 . VAL A 1 235 ? -3.868 19.819 -18.742 1.00 17.02 ? 225 VAL A HG13 1 -ATOM 4003 H HG21 . VAL A 1 235 ? -2.424 21.619 -16.726 1.00 17.96 ? 225 VAL A HG21 1 -ATOM 4004 H HG22 . VAL A 1 235 ? -3.779 22.089 -17.410 1.00 17.96 ? 225 VAL A HG22 1 -ATOM 4005 H HG23 . VAL A 1 235 ? -3.671 22.017 -15.827 1.00 17.96 ? 225 VAL A HG23 1 -ATOM 4006 N N . GLY A 1 236 ? -6.537 18.175 -17.576 1.00 12.51 ? 226 GLY A N 1 -ATOM 4007 C CA . GLY A 1 236 ? -6.985 16.788 -17.720 1.00 12.35 ? 226 GLY A CA 1 -ATOM 4008 C C . GLY A 1 236 ? -6.183 16.068 -18.795 1.00 12.40 ? 226 GLY A C 1 -ATOM 4009 O O . GLY A 1 236 ? -6.300 16.425 -19.985 1.00 13.17 ? 226 GLY A O 1 -ATOM 4010 H H . GLY A 1 236 ? -6.839 18.676 -18.206 1.00 15.01 ? 226 GLY A H 1 -ATOM 4011 H HA2 . GLY A 1 236 ? -6.871 16.319 -16.879 1.00 14.82 ? 226 GLY A HA2 1 -ATOM 4012 H HA3 . GLY A 1 236 ? -7.923 16.772 -17.967 1.00 14.82 ? 226 GLY A HA3 1 -ATOM 4013 N N . ILE A 1 237 ? -5.394 15.093 -18.403 1.00 12.64 ? 227 ILE A N 1 -ATOM 4014 C CA . ILE A 1 237 ? -4.533 14.337 -19.297 1.00 12.52 ? 227 ILE A CA 1 -ATOM 4015 C C . ILE A 1 237 ? -4.847 12.871 -19.176 1.00 13.47 ? 227 ILE A C 1 -ATOM 4016 O O . ILE A 1 237 ? -5.032 12.339 -18.069 1.00 13.69 ? 227 ILE A O 1 -ATOM 4017 C CB . ILE A 1 237 ? -3.069 14.611 -18.951 1.00 14.42 ? 227 ILE A CB 1 -ATOM 4018 C CG1 . ILE A 1 237 ? -2.674 16.027 -19.382 1.00 20.34 ? 227 ILE A CG1 1 -ATOM 4019 C CG2 . ILE A 1 237 ? -2.149 13.643 -19.613 1.00 17.71 ? 227 ILE A CG2 1 -ATOM 4020 C CD1 . ILE A 1 237 ? -1.311 16.520 -18.803 1.00 23.12 ? 227 ILE A CD1 1 -ATOM 4021 H H . ILE A 1 237 ? -5.334 14.834 -17.585 1.00 15.17 ? 227 ILE A H 1 -ATOM 4022 H HA . ILE A 1 237 ? -4.707 14.588 -20.218 1.00 15.02 ? 227 ILE A HA 1 -ATOM 4023 H HB . ILE A 1 237 ? -2.988 14.516 -17.989 1.00 17.31 ? 227 ILE A HB 1 -ATOM 4024 H HG12 . ILE A 1 237 ? -2.607 16.049 -20.349 1.00 24.41 ? 227 ILE A HG12 1 -ATOM 4025 H HG13 . ILE A 1 237 ? -3.360 16.644 -19.083 1.00 24.41 ? 227 ILE A HG13 1 -ATOM 4026 H HG21 . ILE A 1 237 ? -1.239 13.971 -19.540 1.00 21.26 ? 227 ILE A HG21 1 -ATOM 4027 H HG22 . ILE A 1 237 ? -2.227 12.782 -19.172 1.00 21.26 ? 227 ILE A HG22 1 -ATOM 4028 H HG23 . ILE A 1 237 ? -2.397 13.559 -20.547 1.00 21.26 ? 227 ILE A HG23 1 -ATOM 4029 H HD11 . ILE A 1 237 ? -1.241 17.479 -18.933 1.00 27.75 ? 227 ILE A HD11 1 -ATOM 4030 H HD12 . ILE A 1 237 ? -1.275 16.310 -17.857 1.00 27.75 ? 227 ILE A HD12 1 -ATOM 4031 H HD13 . ILE A 1 237 ? -0.589 16.070 -19.269 1.00 27.75 ? 227 ILE A HD13 1 -ATOM 4032 N N . GLY A 1 238 ? -4.879 12.165 -20.287 1.00 12.73 ? 228 GLY A N 1 -ATOM 4033 C CA . GLY A 1 238 ? -5.031 10.739 -20.271 1.00 12.89 ? 228 GLY A CA 1 -ATOM 4034 C C . GLY A 1 238 ? -4.557 10.167 -21.593 1.00 12.97 ? 228 GLY A C 1 -ATOM 4035 O O . GLY A 1 238 ? -4.248 10.916 -22.543 1.00 13.75 ? 228 GLY A O 1 -ATOM 4036 H H . GLY A 1 238 ? -4.812 12.501 -21.076 1.00 15.27 ? 228 GLY A H 1 -ATOM 4037 H HA2 . GLY A 1 238 ? -4.505 10.356 -19.552 1.00 15.47 ? 228 GLY A HA2 1 -ATOM 4038 H HA3 . GLY A 1 238 ? -5.963 10.506 -20.140 1.00 15.47 ? 228 GLY A HA3 1 -ATOM 4039 N N . PRO A 1 239 ? -4.453 8.864 -21.675 1.00 13.00 ? 229 PRO A N 1 -ATOM 4040 C CA . PRO A 1 239 ? -4.065 8.192 -22.921 1.00 13.13 ? 229 PRO A CA 1 -ATOM 4041 C C . PRO A 1 239 ? -5.226 8.189 -23.886 1.00 13.99 ? 229 PRO A C 1 -ATOM 4042 O O . PRO A 1 239 ? -6.395 8.130 -23.519 1.00 14.19 ? 229 PRO A O 1 -ATOM 4043 C CB . PRO A 1 239 ? -3.762 6.753 -22.464 1.00 15.51 ? 229 PRO A CB 1 -ATOM 4044 C CG . PRO A 1 239 ? -4.757 6.559 -21.306 1.00 14.96 ? 229 PRO A CG 1 -ATOM 4045 C CD . PRO A 1 239 ? -4.712 7.887 -20.590 1.00 13.24 ? 229 PRO A CD 1 -ATOM 4046 H HA . PRO A 1 239 ? -3.273 8.588 -23.316 1.00 15.76 ? 229 PRO A HA 1 -ATOM 4047 H HB2 . PRO A 1 239 ? -3.927 6.125 -23.184 1.00 18.61 ? 229 PRO A HB2 1 -ATOM 4048 H HB3 . PRO A 1 239 ? -2.843 6.678 -22.161 1.00 18.61 ? 229 PRO A HB3 1 -ATOM 4049 H HG2 . PRO A 1 239 ? -5.644 6.372 -21.650 1.00 17.95 ? 229 PRO A HG2 1 -ATOM 4050 H HG3 . PRO A 1 239 ? -4.466 5.836 -20.728 1.00 17.95 ? 229 PRO A HG3 1 -ATOM 4051 H HD2 . PRO A 1 239 ? -5.559 8.072 -20.156 1.00 15.89 ? 229 PRO A HD2 1 -ATOM 4052 H HD3 . PRO A 1 239 ? -3.995 7.901 -19.937 1.00 15.89 ? 229 PRO A HD3 1 -ATOM 4053 N N . PHE A 1 240 ? -4.878 8.238 -25.181 1.00 13.63 ? 230 PHE A N 1 -ATOM 4054 C CA . PHE A 1 240 ? -5.826 7.907 -26.233 1.00 13.73 ? 230 PHE A CA 1 -ATOM 4055 C C . PHE A 1 240 ? -6.125 6.408 -26.157 1.00 13.94 ? 230 PHE A C 1 -ATOM 4056 O O . PHE A 1 240 ? -5.215 5.574 -26.150 1.00 14.75 ? 230 PHE A O 1 -ATOM 4057 C CB . PHE A 1 240 ? -5.205 8.236 -27.597 1.00 13.87 ? 230 PHE A CB 1 -ATOM 4058 C CG . PHE A 1 240 ? -5.924 7.579 -28.764 1.00 14.22 ? 230 PHE A CG 1 -ATOM 4059 C CD1 . PHE A 1 240 ? -7.254 7.842 -29.040 1.00 15.11 ? 230 PHE A CD1 1 -ATOM 4060 C CD2 . PHE A 1 240 ? -5.228 6.740 -29.572 1.00 15.69 ? 230 PHE A CD2 1 -ATOM 4061 C CE1 . PHE A 1 240 ? -7.913 7.210 -30.078 1.00 15.37 ? 230 PHE A CE1 1 -ATOM 4062 C CE2 . PHE A 1 240 ? -5.877 6.098 -30.662 1.00 17.23 ? 230 PHE A CE2 1 -ATOM 4063 C CZ . PHE A 1 240 ? -7.240 6.367 -30.891 1.00 15.77 ? 230 PHE A CZ 1 -ATOM 4064 H H . PHE A 1 240 ? -4.098 8.461 -25.468 1.00 16.35 ? 230 PHE A H 1 -ATOM 4065 H HA . PHE A 1 240 ? -6.647 8.413 -26.131 1.00 16.48 ? 230 PHE A HA 1 -ATOM 4066 H HB2 . PHE A 1 240 ? -5.236 9.196 -27.731 1.00 16.64 ? 230 PHE A HB2 1 -ATOM 4067 H HB3 . PHE A 1 240 ? -4.285 7.929 -27.604 1.00 16.64 ? 230 PHE A HB3 1 -ATOM 4068 H HD1 . PHE A 1 240 ? -7.714 8.458 -28.517 1.00 18.13 ? 230 PHE A HD1 1 -ATOM 4069 H HD2 . PHE A 1 240 ? -4.325 6.584 -29.413 1.00 18.83 ? 230 PHE A HD2 1 -ATOM 4070 H HE1 . PHE A 1 240 ? -8.820 7.364 -30.216 1.00 18.44 ? 230 PHE A HE1 1 -ATOM 4071 H HE2 . PHE A 1 240 ? -5.411 5.513 -31.214 1.00 20.68 ? 230 PHE A HE2 1 -ATOM 4072 H HZ . PHE A 1 240 ? -7.678 5.963 -31.604 1.00 18.93 ? 230 PHE A HZ 1 -ATOM 4073 N N . ILE A 1 241 ? -7.404 6.059 -26.158 1.00 14.47 ? 231 ILE A N 1 -ATOM 4074 C CA . ILE A 1 241 ? -7.813 4.649 -26.151 1.00 14.97 ? 231 ILE A CA 1 -ATOM 4075 C C . ILE A 1 241 ? -8.653 4.370 -27.390 1.00 15.02 ? 231 ILE A C 1 -ATOM 4076 O O . ILE A 1 241 ? -9.773 4.912 -27.505 1.00 15.37 ? 231 ILE A O 1 -ATOM 4077 C CB . ILE A 1 241 ? -8.597 4.307 -24.886 1.00 14.84 ? 231 ILE A CB 1 -ATOM 4078 C CG1 . ILE A 1 241 ? -7.698 4.521 -23.628 1.00 17.49 ? 231 ILE A CG1 1 -ATOM 4079 C CG2 . ILE A 1 241 ? -9.049 2.875 -24.957 1.00 17.57 ? 231 ILE A CG2 1 -ATOM 4080 C CD1 . ILE A 1 241 ? -8.393 4.382 -22.296 1.00 19.43 ? 231 ILE A CD1 1 -ATOM 4081 H H . ILE A 1 241 ? -8.059 6.616 -26.162 1.00 17.36 ? 231 ILE A H 1 -ATOM 4082 H HA . ILE A 1 241 ? -7.017 4.094 -26.184 1.00 17.96 ? 231 ILE A HA 1 -ATOM 4083 H HB . ILE A 1 241 ? -9.370 4.889 -24.820 1.00 17.81 ? 231 ILE A HB 1 -ATOM 4084 H HG12 . ILE A 1 241 ? -6.984 3.865 -23.650 1.00 20.99 ? 231 ILE A HG12 1 -ATOM 4085 H HG13 . ILE A 1 241 ? -7.328 5.416 -23.668 1.00 20.99 ? 231 ILE A HG13 1 -ATOM 4086 H HG21 . ILE A 1 241 ? -9.358 2.597 -24.080 1.00 21.09 ? 231 ILE A HG21 1 -ATOM 4087 H HG22 . ILE A 1 241 ? -9.772 2.803 -25.600 1.00 21.09 ? 231 ILE A HG22 1 -ATOM 4088 H HG23 . ILE A 1 241 ? -8.303 2.321 -25.235 1.00 21.09 ? 231 ILE A HG23 1 -ATOM 4089 H HD11 . ILE A 1 241 ? -7.793 4.682 -21.594 1.00 23.32 ? 231 ILE A HD11 1 -ATOM 4090 H HD12 . ILE A 1 241 ? -9.195 4.928 -22.300 1.00 23.32 ? 231 ILE A HD12 1 -ATOM 4091 H HD13 . ILE A 1 241 ? -8.627 3.451 -22.156 1.00 23.32 ? 231 ILE A HD13 1 -ATOM 4092 N N . PRO A 1 242 ? -8.156 3.593 -28.354 1.00 15.24 ? 232 PRO A N 1 -ATOM 4093 C CA . PRO A 1 242 ? -8.876 3.440 -29.618 1.00 15.24 ? 232 PRO A CA 1 -ATOM 4094 C C . PRO A 1 242 ? -10.233 2.797 -29.394 1.00 18.00 ? 232 PRO A C 1 -ATOM 4095 O O . PRO A 1 242 ? -10.397 1.848 -28.598 1.00 17.30 ? 232 PRO A O 1 -ATOM 4096 C CB . PRO A 1 242 ? -7.983 2.515 -30.454 1.00 17.99 ? 232 PRO A CB 1 -ATOM 4097 C CG . PRO A 1 242 ? -6.614 2.638 -29.852 1.00 20.56 ? 232 PRO A CG 1 -ATOM 4098 C CD . PRO A 1 242 ? -6.808 2.983 -28.393 1.00 16.65 ? 232 PRO A CD 1 -ATOM 4099 H HA . PRO A 1 242 ? -8.965 4.301 -30.056 1.00 18.28 ? 232 PRO A HA 1 -ATOM 4100 H HB2 . PRO A 1 242 ? -8.307 1.603 -30.395 1.00 21.59 ? 232 PRO A HB2 1 -ATOM 4101 H HB3 . PRO A 1 242 ? -7.982 2.807 -31.379 1.00 21.59 ? 232 PRO A HB3 1 -ATOM 4102 H HG2 . PRO A 1 242 ? -6.144 1.794 -29.942 1.00 24.67 ? 232 PRO A HG2 1 -ATOM 4103 H HG3 . PRO A 1 242 ? -6.122 3.340 -30.305 1.00 24.67 ? 232 PRO A HG3 1 -ATOM 4104 H HD2 . PRO A 1 242 ? -6.777 2.184 -27.843 1.00 19.97 ? 232 PRO A HD2 1 -ATOM 4105 H HD3 . PRO A 1 242 ? -6.136 3.616 -28.097 1.00 19.97 ? 232 PRO A HD3 1 -ATOM 4106 N N . HIS A 1 243 ? -11.218 3.288 -30.151 1.00 18.03 ? 233 HIS A N 1 -ATOM 4107 C CA . HIS A 1 243 ? -12.582 2.813 -30.066 1.00 15.88 ? 233 HIS A CA 1 -ATOM 4108 C C . HIS A 1 243 ? -12.948 2.056 -31.334 1.00 19.00 ? 233 HIS A C 1 -ATOM 4109 O O . HIS A 1 243 ? -12.697 2.538 -32.452 1.00 18.08 ? 233 HIS A O 1 -ATOM 4110 C CB . HIS A 1 243 ? -13.514 3.979 -29.882 1.00 16.39 ? 233 HIS A CB 1 -ATOM 4111 C CG . HIS A 1 243 ? -14.917 3.594 -29.603 1.00 16.16 ? 233 HIS A CG 1 -ATOM 4112 N ND1 . HIS A 1 243 ? -15.678 2.871 -30.499 1.00 18.51 ? 233 HIS A ND1 1 -ATOM 4113 C CD2 . HIS A 1 243 ? -15.711 3.870 -28.553 1.00 16.48 ? 233 HIS A CD2 1 -ATOM 4114 C CE1 . HIS A 1 243 ? -16.883 2.703 -29.982 1.00 18.47 ? 233 HIS A CE1 1 -ATOM 4115 N NE2 . HIS A 1 243 ? -16.907 3.270 -28.793 1.00 18.01 ? 233 HIS A NE2 1 -ATOM 4116 H H . HIS A 1 243 ? -11.109 3.912 -30.732 1.00 21.63 ? 233 HIS A H 1 -ATOM 4117 H HA . HIS A 1 243 ? -12.678 2.211 -29.312 1.00 19.06 ? 233 HIS A HA 1 -ATOM 4118 H HB2 . HIS A 1 243 ? -13.200 4.512 -29.134 1.00 19.67 ? 233 HIS A HB2 1 -ATOM 4119 H HB3 . HIS A 1 243 ? -13.510 4.511 -30.693 1.00 19.67 ? 233 HIS A HB3 1 -ATOM 4120 H HD2 . HIS A 1 243 ? -15.484 4.376 -27.806 1.00 19.78 ? 233 HIS A HD2 1 -ATOM 4121 H HE1 . HIS A 1 243 ? -17.593 2.261 -30.389 1.00 22.16 ? 233 HIS A HE1 1 -ATOM 4122 H HE2 . HIS A 1 243 ? -17.575 3.261 -28.251 1.00 21.61 ? 233 HIS A HE2 1 -ATOM 4123 N N . PRO A 1 244 ? -13.495 0.833 -31.243 1.00 18.66 ? 234 PRO A N 1 -ATOM 4124 C CA . PRO A 1 244 ? -13.684 0.000 -32.434 1.00 19.82 ? 234 PRO A CA 1 -ATOM 4125 C C . PRO A 1 244 ? -14.649 0.547 -33.446 1.00 18.70 ? 234 PRO A C 1 -ATOM 4126 O O . PRO A 1 244 ? -14.607 0.108 -34.587 1.00 20.90 ? 234 PRO A O 1 -ATOM 4127 C CB . PRO A 1 244 ? -14.175 -1.326 -31.851 1.00 24.06 ? 234 PRO A CB 1 -ATOM 4128 C CG . PRO A 1 244 ? -14.721 -0.987 -30.510 1.00 27.14 ? 234 PRO A CG 1 -ATOM 4129 C CD . PRO A 1 244 ? -13.855 0.141 -29.988 1.00 18.39 ? 234 PRO A CD 1 -ATOM 4130 H HA . PRO A 1 244 ? -12.828 -0.129 -32.872 1.00 23.78 ? 234 PRO A HA 1 -ATOM 4131 H HB2 . PRO A 1 244 ? -14.865 -1.700 -32.421 1.00 28.88 ? 234 PRO A HB2 1 -ATOM 4132 H HB3 . PRO A 1 244 ? -13.434 -1.947 -31.777 1.00 28.88 ? 234 PRO A HB3 1 -ATOM 4133 H HG2 . PRO A 1 244 ? -15.645 -0.702 -30.594 1.00 32.57 ? 234 PRO A HG2 1 -ATOM 4134 H HG3 . PRO A 1 244 ? -14.665 -1.761 -29.928 1.00 32.57 ? 234 PRO A HG3 1 -ATOM 4135 H HD2 . PRO A 1 244 ? -14.355 0.724 -29.395 1.00 22.07 ? 234 PRO A HD2 1 -ATOM 4136 H HD3 . PRO A 1 244 ? -13.068 -0.199 -29.534 1.00 22.07 ? 234 PRO A HD3 1 -ATOM 4137 N N . ASP A 1 245 ? -15.549 1.440 -33.083 1.00 19.17 ? 235 ASP A N 1 -ATOM 4138 C CA . ASP A 1 245 ? -16.542 1.964 -33.999 1.00 21.21 ? 235 ASP A CA 1 -ATOM 4139 C C . ASP A 1 245 ? -16.154 3.342 -34.487 1.00 20.76 ? 235 ASP A C 1 -ATOM 4140 O O . ASP A 1 245 ? -17.042 4.160 -34.742 1.00 22.47 ? 235 ASP A O 1 -ATOM 4141 C CB . ASP A 1 245 ? -17.913 1.963 -33.341 1.00 21.94 ? 235 ASP A CB 1 -ATOM 4142 C CG . ASP A 1 245 ? -18.372 0.562 -32.955 1.00 24.64 ? 235 ASP A CG 1 -ATOM 4143 O OD1 . ASP A 1 245 ? -18.132 -0.375 -33.757 1.00 31.79 ? 235 ASP A OD1 1 -ATOM 4144 O OD2 . ASP A 1 245 ? -18.962 0.402 -31.892 1.00 29.64 ? 235 ASP A OD2 1 -ATOM 4145 H H . ASP A 1 245 ? -15.606 1.767 -32.289 1.00 23.00 ? 235 ASP A H 1 -ATOM 4146 H HA . ASP A 1 245 ? -16.608 1.389 -34.778 1.00 25.46 ? 235 ASP A HA 1 -ATOM 4147 H HB2 . ASP A 1 245 ? -17.878 2.501 -32.535 1.00 26.33 ? 235 ASP A HB2 1 -ATOM 4148 H HB3 . ASP A 1 245 ? -18.562 2.333 -33.959 1.00 26.33 ? 235 ASP A HB3 1 -ATOM 4149 N N . THR A 1 246 ? -14.858 3.585 -34.649 1.00 18.56 ? 236 THR A N 1 -ATOM 4150 C CA . THR A 1 246 ? -14.325 4.853 -35.125 1.00 17.21 ? 236 THR A CA 1 -ATOM 4151 C C . THR A 1 246 ? -13.248 4.612 -36.156 1.00 17.70 ? 236 THR A C 1 -ATOM 4152 O O . THR A 1 246 ? -12.703 3.498 -36.215 1.00 18.86 ? 236 THR A O 1 -ATOM 4153 C CB . THR A 1 246 ? -13.697 5.685 -34.011 1.00 17.50 ? 236 THR A CB 1 -ATOM 4154 O OG1 . THR A 1 246 ? -12.445 5.081 -33.589 1.00 17.49 ? 236 THR A OG1 1 -ATOM 4155 C CG2 . THR A 1 246 ? -14.633 5.876 -32.819 1.00 16.05 ? 236 THR A CG2 1 -ATOM 4156 H H . THR A 1 246 ? -14.243 3.008 -34.483 1.00 22.27 ? 236 THR A H 1 -ATOM 4157 H HA . THR A 1 246 ? -15.072 5.341 -35.505 1.00 20.65 ? 236 THR A HA 1 -ATOM 4158 H HB . THR A 1 246 ? -13.520 6.574 -34.356 1.00 21.01 ? 236 THR A HB 1 -ATOM 4159 H HG1 . THR A 1 246 ? -12.580 4.294 -33.327 1.00 20.99 ? 236 THR A HG1 1 -ATOM 4160 H HG21 . THR A 1 246 ? -14.192 6.398 -32.131 1.00 19.26 ? 236 THR A HG21 1 -ATOM 4161 H HG22 . THR A 1 246 ? -15.437 6.340 -33.100 1.00 19.26 ? 236 THR A HG22 1 -ATOM 4162 H HG23 . THR A 1 246 ? -14.880 5.013 -32.450 1.00 19.26 ? 236 THR A HG23 1 -ATOM 4163 N N . PRO A 1 247 ? -12.846 5.631 -36.924 1.00 17.76 ? 237 PRO A N 1 -ATOM 4164 C CA . PRO A 1 247 ? -11.785 5.453 -37.897 1.00 18.52 ? 237 PRO A CA 1 -ATOM 4165 C C . PRO A 1 247 ? -10.441 5.123 -37.324 1.00 17.62 ? 237 PRO A C 1 -ATOM 4166 O O . PRO A 1 247 ? -9.593 4.616 -38.052 1.00 18.86 ? 237 PRO A O 1 -ATOM 4167 C CB . PRO A 1 247 ? -11.772 6.789 -38.650 1.00 20.65 ? 237 PRO A CB 1 -ATOM 4168 C CG . PRO A 1 247 ? -13.162 7.373 -38.462 1.00 19.00 ? 237 PRO A CG 1 -ATOM 4169 C CD . PRO A 1 247 ? -13.526 6.943 -37.089 1.00 18.59 ? 237 PRO A CD 1 -ATOM 4170 H HA . PRO A 1 247 ? -12.031 4.740 -38.507 1.00 22.22 ? 237 PRO A HA 1 -ATOM 4171 H HB2 . PRO A 1 247 ? -11.098 7.373 -38.269 1.00 24.78 ? 237 PRO A HB2 1 -ATOM 4172 H HB3 . PRO A 1 247 ? -11.586 6.635 -39.589 1.00 24.78 ? 237 PRO A HB3 1 -ATOM 4173 H HG2 . PRO A 1 247 ? -13.135 8.340 -38.534 1.00 22.79 ? 237 PRO A HG2 1 -ATOM 4174 H HG3 . PRO A 1 247 ? -13.774 7.008 -39.121 1.00 22.79 ? 237 PRO A HG3 1 -ATOM 4175 H HD2 . PRO A 1 247 ? -13.202 7.581 -36.434 1.00 22.30 ? 237 PRO A HD2 1 -ATOM 4176 H HD3 . PRO A 1 247 ? -14.488 6.842 -37.006 1.00 22.30 ? 237 PRO A HD3 1 -ATOM 4177 N N . LEU A 1 248 ? -10.246 5.364 -36.040 1.00 17.12 ? 238 LEU A N 1 -ATOM 4178 C CA . LEU A 1 248 ? -8.978 5.094 -35.366 1.00 16.70 ? 238 LEU A CA 1 -ATOM 4179 C C . LEU A 1 248 ? -8.944 3.743 -34.654 1.00 17.55 ? 238 LEU A C 1 -ATOM 4180 O O . LEU A 1 248 ? -8.006 3.485 -33.860 1.00 17.33 ? 238 LEU A O 1 -ATOM 4181 C CB . LEU A 1 248 ? -8.631 6.225 -34.429 1.00 16.52 ? 238 LEU A CB 1 -ATOM 4182 C CG . LEU A 1 248 ? -8.634 7.625 -35.088 1.00 16.67 ? 238 LEU A CG 1 -ATOM 4183 C CD1 . LEU A 1 248 ? -8.211 8.644 -34.073 1.00 17.58 ? 238 LEU A CD1 1 -ATOM 4184 C CD2 . LEU A 1 248 ? -7.797 7.677 -36.357 1.00 17.65 ? 238 LEU A CD2 1 -ATOM 4185 H H . LEU A 1 248 ? -10.846 5.694 -35.520 1.00 20.55 ? 238 LEU A H 1 -ATOM 4186 H HA . LEU A 1 248 ? -8.278 5.059 -36.037 1.00 20.04 ? 238 LEU A HA 1 -ATOM 4187 H HB2 . LEU A 1 248 ? -9.279 6.238 -33.708 1.00 19.83 ? 238 LEU A HB2 1 -ATOM 4188 H HB3 . LEU A 1 248 ? -7.742 6.069 -34.074 1.00 19.83 ? 238 LEU A HB3 1 -ATOM 4189 H HG . LEU A 1 248 ? -9.533 7.841 -35.382 1.00 20.01 ? 238 LEU A HG 1 -ATOM 4190 H HD11 . LEU A 1 248 ? -8.319 9.530 -34.452 1.00 21.09 ? 238 LEU A HD11 1 -ATOM 4191 H HD12 . LEU A 1 248 ? -8.766 8.551 -33.283 1.00 21.09 ? 238 LEU A HD12 1 -ATOM 4192 H HD13 . LEU A 1 248 ? -7.281 8.493 -33.844 1.00 21.09 ? 238 LEU A HD13 1 -ATOM 4193 H HD21 . LEU A 1 248 ? -7.714 8.600 -36.643 1.00 21.18 ? 238 LEU A HD21 1 -ATOM 4194 H HD22 . LEU A 1 248 ? -6.919 7.308 -36.172 1.00 21.18 ? 238 LEU A HD22 1 -ATOM 4195 H HD23 . LEU A 1 248 ? -8.236 7.155 -37.047 1.00 21.18 ? 238 LEU A HD23 1 -ATOM 4196 N N . ALA A 1 249 ? -9.899 2.868 -34.944 1.00 17.90 ? 239 ALA A N 1 -ATOM 4197 C CA . ALA A 1 249 ? -10.007 1.581 -34.245 1.00 18.72 ? 239 ALA A CA 1 -ATOM 4198 C C . ALA A 1 249 ? -8.712 0.779 -34.179 1.00 18.96 ? 239 ALA A C 1 -ATOM 4199 O O . ALA A 1 249 ? -8.478 0.118 -33.169 1.00 19.36 ? 239 ALA A O 1 -ATOM 4200 C CB . ALA A 1 249 ? -11.066 0.713 -34.959 1.00 21.07 ? 239 ALA A CB 1 -ATOM 4201 H H . ALA A 1 249 ? -10.504 2.989 -35.543 1.00 21.48 ? 239 ALA A H 1 -ATOM 4202 H HA . ALA A 1 249 ? -10.261 1.786 -33.332 1.00 22.47 ? 239 ALA A HA 1 -ATOM 4203 H HB1 . ALA A 1 249 ? -11.122 -0.147 -34.515 1.00 25.29 ? 239 ALA A HB1 1 -ATOM 4204 H HB2 . ALA A 1 249 ? -11.925 1.163 -34.917 1.00 25.29 ? 239 ALA A HB2 1 -ATOM 4205 H HB3 . ALA A 1 249 ? -10.803 0.590 -35.885 1.00 25.29 ? 239 ALA A HB3 1 -ATOM 4206 N N . ASN A 1 250 ? -7.893 0.816 -35.201 1.00 19.63 ? 240 ASN A N 1 -ATOM 4207 C CA . ASN A 1 250 ? -6.754 -0.072 -35.315 1.00 19.81 ? 240 ASN A CA 1 -ATOM 4208 C C . ASN A 1 250 ? -5.443 0.620 -34.967 1.00 18.45 ? 240 ASN A C 1 -ATOM 4209 O O . ASN A 1 250 ? -4.376 0.029 -35.141 1.00 20.87 ? 240 ASN A O 1 -ATOM 4210 C CB . ASN A 1 250 ? -6.724 -0.698 -36.700 1.00 21.13 ? 240 ASN A CB 1 -ATOM 4211 C CG . ASN A 1 250 ? -7.967 -1.496 -36.980 1.00 38.32 ? 240 ASN A CG 1 -ATOM 4212 O OD1 . ASN A 1 250 ? -8.429 -2.262 -36.131 1.00 38.14 ? 240 ASN A OD1 1 -ATOM 4213 N ND2 . ASN A 1 250 ? -8.534 -1.320 -38.167 1.00 45.10 ? 240 ASN A ND2 1 -ATOM 4214 H H . ASN A 1 250 ? -7.974 1.360 -35.862 1.00 23.55 ? 240 ASN A H 1 -ATOM 4215 H HA . ASN A 1 250 ? -6.849 -0.805 -34.687 1.00 23.77 ? 240 ASN A HA 1 -ATOM 4216 H HB2 . ASN A 1 250 ? -6.657 0.004 -37.366 1.00 25.36 ? 240 ASN A HB2 1 -ATOM 4217 H HB3 . ASN A 1 250 ? -5.960 -1.292 -36.766 1.00 25.36 ? 240 ASN A HB3 1 -ATOM 4218 H HD21 . ASN A 1 250 ? -9.247 -1.754 -38.372 1.00 54.12 ? 240 ASN A HD21 1 -ATOM 4219 H HD22 . ASN A 1 250 ? -8.188 -0.770 -38.731 1.00 54.12 ? 240 ASN A HD22 1 -ATOM 4220 N N . GLU A 1 251 ? -5.508 1.844 -34.472 1.00 17.48 ? 241 GLU A N 1 -ATOM 4221 C CA . GLU A 1 251 ? -4.313 2.597 -34.114 1.00 17.72 ? 241 GLU A CA 1 -ATOM 4222 C C . GLU A 1 251 ? -3.775 2.162 -32.745 1.00 16.80 ? 241 GLU A C 1 -ATOM 4223 O O . GLU A 1 251 ? -4.451 1.498 -31.950 1.00 18.35 ? 241 GLU A O 1 -ATOM 4224 C CB . GLU A 1 251 ? -4.607 4.108 -34.149 1.00 17.52 ? 241 GLU A CB 1 -ATOM 4225 C CG . GLU A 1 251 ? -5.101 4.568 -35.531 1.00 20.62 ? 241 GLU A CG 1 -ATOM 4226 C CD . GLU A 1 251 ? -4.025 4.500 -36.567 1.00 30.05 ? 241 GLU A CD 1 -ATOM 4227 O OE1 . GLU A 1 251 ? -2.863 4.825 -36.284 1.00 25.86 ? 241 GLU A OE1 1 -ATOM 4228 O OE2 . GLU A 1 251 ? -4.354 4.143 -37.723 1.00 45.44 ? 241 GLU A OE2 1 -ATOM 4229 H H . GLU A 1 251 ? -6.242 2.270 -34.330 1.00 20.98 ? 241 GLU A H 1 -ATOM 4230 H HA . GLU A 1 251 ? -3.609 2.422 -34.758 1.00 21.26 ? 241 GLU A HA 1 -ATOM 4231 H HB2 . GLU A 1 251 ? -5.294 4.313 -33.496 1.00 21.02 ? 241 GLU A HB2 1 -ATOM 4232 H HB3 . GLU A 1 251 ? -3.794 4.595 -33.939 1.00 21.02 ? 241 GLU A HB3 1 -ATOM 4233 H HG2 . GLU A 1 251 ? -5.831 3.996 -35.815 1.00 24.74 ? 241 GLU A HG2 1 -ATOM 4234 H HG3 . GLU A 1 251 ? -5.405 5.487 -35.471 1.00 24.74 ? 241 GLU A HG3 1 -ATOM 4235 N N . LYS A 1 252 ? -2.524 2.544 -32.488 1.00 16.90 ? 242 LYS A N 1 -ATOM 4236 C CA . LYS A 1 252 ? -1.917 2.232 -31.192 1.00 16.43 ? 242 LYS A CA 1 -ATOM 4237 C C . LYS A 1 252 ? -2.642 2.952 -30.059 1.00 16.79 ? 242 LYS A C 1 -ATOM 4238 O O . LYS A 1 252 ? -3.082 4.098 -30.167 1.00 17.70 ? 242 LYS A O 1 -ATOM 4239 C CB . LYS A 1 252 ? -0.478 2.702 -31.189 1.00 16.72 ? 242 LYS A CB 1 -ATOM 4240 C CG . LYS A 1 252 ? 0.429 1.903 -32.052 1.00 19.69 ? 242 LYS A CG 1 -ATOM 4241 C CD . LYS A 1 252 ? 1.806 2.537 -32.040 1.00 22.35 ? 242 LYS A CD 1 -ATOM 4242 C CE . LYS A 1 252 ? 2.862 1.655 -32.723 1.00 28.53 ? 242 LYS A CE 1 -ATOM 4243 N NZ . LYS A 1 252 ? 4.186 2.361 -32.767 1.00 34.97 ? 242 LYS A NZ 1 -ATOM 4244 H H . LYS A 1 252 ? -2.017 2.975 -33.032 1.00 20.28 ? 242 LYS A H 1 -ATOM 4245 H HA . LYS A 1 252 ? -1.965 1.275 -31.047 1.00 19.71 ? 242 LYS A HA 1 -ATOM 4246 H HB2 . LYS A 1 252 ? -0.450 3.618 -31.505 1.00 20.06 ? 242 LYS A HB2 1 -ATOM 4247 H HB3 . LYS A 1 252 ? -0.138 2.653 -30.282 1.00 20.06 ? 242 LYS A HB3 1 -ATOM 4248 H HG2 . LYS A 1 252 ? 0.496 0.996 -31.712 1.00 23.62 ? 242 LYS A HG2 1 -ATOM 4249 H HG3 . LYS A 1 252 ? 0.094 1.891 -32.962 1.00 23.62 ? 242 LYS A HG3 1 -ATOM 4250 H HD2 . LYS A 1 252 ? 1.770 3.384 -32.511 1.00 26.82 ? 242 LYS A HD2 1 -ATOM 4251 H HD3 . LYS A 1 252 ? 2.082 2.680 -31.121 1.00 26.82 ? 242 LYS A HD3 1 -ATOM 4252 H HE2 . LYS A 1 252 ? 2.968 0.829 -32.225 1.00 34.24 ? 242 LYS A HE2 1 -ATOM 4253 H HE3 . LYS A 1 252 ? 2.585 1.461 -33.632 1.00 34.24 ? 242 LYS A HE3 1 -ATOM 4254 H HZ1 . LYS A 1 252 ? 4.791 1.849 -33.172 1.00 41.96 ? 242 LYS A HZ1 1 -ATOM 4255 H HZ2 . LYS A 1 252 ? 4.109 3.126 -33.216 1.00 41.96 ? 242 LYS A HZ2 1 -ATOM 4256 H HZ3 . LYS A 1 252 ? 4.464 2.538 -31.941 1.00 41.96 ? 242 LYS A HZ3 1 -ATOM 4257 N N . LYS A 1 253 ? -2.772 2.235 -28.945 1.00 16.27 ? 243 LYS A N 1 -ATOM 4258 C CA . LYS A 1 253 ? -3.218 2.835 -27.690 1.00 15.40 ? 243 LYS A CA 1 -ATOM 4259 C C . LYS A 1 253 ? -2.126 3.736 -27.115 1.00 15.11 ? 243 LYS A C 1 -ATOM 4260 O O . LYS A 1 253 ? -0.943 3.455 -27.277 1.00 16.75 ? 243 LYS A O 1 -ATOM 4261 C CB . LYS A 1 253 ? -3.553 1.691 -26.720 1.00 17.63 ? 243 LYS A CB 1 -ATOM 4262 C CG . LYS A 1 253 ? -4.250 2.125 -25.474 1.00 18.90 ? 243 LYS A CG 1 -ATOM 4263 C CD . LYS A 1 253 ? -4.553 0.913 -24.513 1.00 23.80 ? 243 LYS A CD 1 -ATOM 4264 C CE . LYS A 1 253 ? -5.422 -0.088 -25.169 1.00 25.12 ? 243 LYS A CE 1 -ATOM 4265 N NZ . LYS A 1 253 ? -5.796 -1.205 -24.195 1.00 23.31 ? 243 LYS A NZ 1 -ATOM 4266 H H . LYS A 1 253 ? -2.607 1.393 -28.889 1.00 19.53 ? 243 LYS A H 1 -ATOM 4267 H HA . LYS A 1 253 ? -4.005 3.388 -27.816 1.00 18.48 ? 243 LYS A HA 1 -ATOM 4268 H HB2 . LYS A 1 253 ? -4.131 1.059 -27.175 1.00 21.15 ? 243 LYS A HB2 1 -ATOM 4269 H HB3 . LYS A 1 253 ? -2.727 1.256 -26.458 1.00 21.15 ? 243 LYS A HB3 1 -ATOM 4270 H HG2 . LYS A 1 253 ? -3.688 2.756 -24.997 1.00 22.68 ? 243 LYS A HG2 1 -ATOM 4271 H HG3 . LYS A 1 253 ? -5.093 2.544 -25.709 1.00 22.68 ? 243 LYS A HG3 1 -ATOM 4272 H HD2 . LYS A 1 253 ? -3.720 0.481 -24.267 1.00 28.56 ? 243 LYS A HD2 1 -ATOM 4273 H HD3 . LYS A 1 253 ? -5.005 1.237 -23.718 1.00 28.56 ? 243 LYS A HD3 1 -ATOM 4274 H HE2 . LYS A 1 253 ? -6.237 0.341 -25.472 1.00 30.14 ? 243 LYS A HE2 1 -ATOM 4275 H HE3 . LYS A 1 253 ? -4.953 -0.480 -25.922 1.00 30.14 ? 243 LYS A HE3 1 -ATOM 4276 H HZ1 . LYS A 1 253 ? -6.328 -1.794 -24.597 1.00 27.98 ? 243 LYS A HZ1 1 -ATOM 4277 H HZ2 . LYS A 1 253 ? -5.061 -1.623 -23.915 1.00 27.98 ? 243 LYS A HZ2 1 -ATOM 4278 H HZ3 . LYS A 1 253 ? -6.221 -0.866 -23.490 1.00 27.98 ? 243 LYS A HZ3 1 -ATOM 4279 N N . GLY A 1 254 ? -2.512 4.790 -26.427 1.00 15.31 ? 244 GLY A N 1 -ATOM 4280 C CA . GLY A 1 254 ? -1.524 5.622 -25.731 1.00 15.71 ? 244 GLY A CA 1 -ATOM 4281 C C . GLY A 1 254 ? -0.825 4.861 -24.622 1.00 14.49 ? 244 GLY A C 1 -ATOM 4282 O O . GLY A 1 254 ? -1.372 3.906 -24.043 1.00 18.19 ? 244 GLY A O 1 -ATOM 4283 H H . GLY A 1 254 ? -3.327 5.053 -26.343 1.00 18.37 ? 244 GLY A H 1 -ATOM 4284 H HA2 . GLY A 1 254 ? -0.856 5.927 -26.364 1.00 18.85 ? 244 GLY A HA2 1 -ATOM 4285 H HA3 . GLY A 1 254 ? -1.967 6.393 -25.343 1.00 18.85 ? 244 GLY A HA3 1 -ATOM 4286 N N . ASP A 1 255 ? 0.398 5.252 -24.372 1.00 15.17 ? 245 ASP A N 1 -ATOM 4287 C CA . ASP A 1 255 ? 1.233 4.543 -23.409 1.00 14.38 ? 245 ASP A CA 1 -ATOM 4288 C C . ASP A 1 255 ? 1.019 5.103 -22.000 1.00 16.17 ? 245 ASP A C 1 -ATOM 4289 O O . ASP A 1 255 ? 1.125 6.307 -21.769 1.00 15.44 ? 245 ASP A O 1 -ATOM 4290 C CB . ASP A 1 255 ? 2.679 4.727 -23.805 1.00 16.68 ? 245 ASP A CB 1 -ATOM 4291 C CG . ASP A 1 255 ? 3.634 3.930 -22.931 1.00 20.07 ? 245 ASP A CG 1 -ATOM 4292 O OD1 . ASP A 1 255 ? 3.683 2.674 -23.058 1.00 21.65 ? 245 ASP A OD1 1 -ATOM 4293 O OD2 . ASP A 1 255 ? 4.324 4.589 -22.096 1.00 20.45 ? 245 ASP A OD2 1 -ATOM 4294 H H . ASP A 1 255 ? 0.778 5.928 -24.744 1.00 18.20 ? 245 ASP A H 1 -ATOM 4295 H HA . ASP A 1 255 ? 1.000 3.601 -23.395 1.00 17.26 ? 245 ASP A HA 1 -ATOM 4296 H HB2 . ASP A 1 255 ? 2.796 4.433 -24.722 1.00 20.01 ? 245 ASP A HB2 1 -ATOM 4297 H HB3 . ASP A 1 255 ? 2.912 5.665 -23.725 1.00 20.01 ? 245 ASP A HB3 1 -ATOM 4298 N N . PHE A 1 256 ? 0.753 4.218 -21.038 1.00 15.31 ? 246 PHE A N 1 -ATOM 4299 C CA . PHE A 1 256 ? 0.506 4.644 -19.661 1.00 14.17 ? 246 PHE A CA 1 -ATOM 4300 C C . PHE A 1 256 ? 1.694 5.378 -19.055 1.00 14.67 ? 246 PHE A C 1 -ATOM 4301 O O . PHE A 1 256 ? 1.531 6.459 -18.460 1.00 14.50 ? 246 PHE A O 1 -ATOM 4302 C CB . PHE A 1 256 ? 0.120 3.437 -18.816 1.00 15.82 ? 246 PHE A CB 1 -ATOM 4303 C CG . PHE A 1 256 ? -0.117 3.779 -17.373 1.00 15.26 ? 246 PHE A CG 1 -ATOM 4304 C CD1 . PHE A 1 256 ? -1.219 4.459 -17.007 1.00 16.33 ? 246 PHE A CD1 1 -ATOM 4305 C CD2 . PHE A 1 256 ? 0.787 3.434 -16.387 1.00 17.92 ? 246 PHE A CD2 1 -ATOM 4306 C CE1 . PHE A 1 256 ? -1.493 4.733 -15.647 1.00 17.91 ? 246 PHE A CE1 1 -ATOM 4307 C CE2 . PHE A 1 256 ? 0.547 3.681 -15.037 1.00 17.32 ? 246 PHE A CE2 1 -ATOM 4308 C CZ . PHE A 1 256 ? -0.574 4.371 -14.682 1.00 17.21 ? 246 PHE A CZ 1 -ATOM 4309 H H . PHE A 1 256 ? 0.710 3.368 -21.156 1.00 18.37 ? 246 PHE A H 1 -ATOM 4310 H HA . PHE A 1 256 ? -0.234 5.271 -19.664 1.00 17.01 ? 246 PHE A HA 1 -ATOM 4311 H HB2 . PHE A 1 256 ? -0.697 3.053 -19.170 1.00 18.98 ? 246 PHE A HB2 1 -ATOM 4312 H HB3 . PHE A 1 256 ? 0.837 2.784 -18.854 1.00 18.98 ? 246 PHE A HB3 1 -ATOM 4313 H HD1 . PHE A 1 256 ? -1.812 4.754 -17.660 1.00 19.60 ? 246 PHE A HD1 1 -ATOM 4314 H HD2 . PHE A 1 256 ? 1.584 3.022 -16.633 1.00 21.50 ? 246 PHE A HD2 1 -ATOM 4315 H HE1 . PHE A 1 256 ? -2.286 5.154 -15.404 1.00 21.49 ? 246 PHE A HE1 1 -ATOM 4316 H HE2 . PHE A 1 256 ? 1.142 3.381 -14.388 1.00 20.78 ? 246 PHE A HE2 1 -ATOM 4317 H HZ . PHE A 1 256 ? -0.720 4.597 -13.792 1.00 20.65 ? 246 PHE A HZ 1 -ATOM 4318 N N . THR A 1 257 ? 2.889 4.834 -19.183 1.00 15.69 ? 247 THR A N 1 -ATOM 4319 C CA . THR A 1 257 ? 4.035 5.488 -18.551 1.00 14.95 ? 247 THR A CA 1 -ATOM 4320 C C . THR A 1 257 ? 4.276 6.867 -19.123 1.00 15.91 ? 247 THR A C 1 -ATOM 4321 O O . THR A 1 257 ? 4.545 7.821 -18.378 1.00 15.14 ? 247 THR A O 1 -ATOM 4322 C CB . THR A 1 257 ? 5.261 4.599 -18.665 1.00 16.91 ? 247 THR A CB 1 -ATOM 4323 O OG1 . THR A 1 257 ? 4.986 3.369 -17.977 1.00 20.37 ? 247 THR A OG1 1 -ATOM 4324 C CG2 . THR A 1 257 ? 6.480 5.236 -18.010 1.00 20.05 ? 247 THR A CG2 1 -ATOM 4325 H H . THR A 1 257 ? 3.066 4.111 -19.614 1.00 18.83 ? 247 THR A H 1 -ATOM 4326 H HA . THR A 1 257 ? 3.850 5.608 -17.607 1.00 17.94 ? 247 THR A HA 1 -ATOM 4327 H HB . THR A 1 257 ? 5.463 4.452 -19.603 1.00 20.30 ? 247 THR A HB 1 -ATOM 4328 H HG1 . THR A 1 257 ? 4.304 3.003 -18.304 1.00 24.44 ? 247 THR A HG1 1 -ATOM 4329 H HG21 . THR A 1 257 ? 7.206 4.594 -17.965 1.00 24.06 ? 247 THR A HG21 1 -ATOM 4330 H HG22 . THR A 1 257 ? 6.771 6.004 -18.527 1.00 24.06 ? 247 THR A HG22 1 -ATOM 4331 H HG23 . THR A 1 257 ? 6.260 5.527 -17.111 1.00 24.06 ? 247 THR A HG23 1 -ATOM 4332 N N . LEU A 1 258 ? 4.240 6.997 -20.457 1.00 15.00 ? 248 LEU A N 1 -ATOM 4333 C CA . LEU A 1 258 ? 4.396 8.313 -21.073 1.00 14.64 ? 248 LEU A CA 1 -ATOM 4334 C C . LEU A 1 258 ? 3.337 9.274 -20.570 1.00 14.41 ? 248 LEU A C 1 -ATOM 4335 O O . LEU A 1 258 ? 3.629 10.455 -20.309 1.00 14.18 ? 248 LEU A O 1 -ATOM 4336 C CB . LEU A 1 258 ? 4.360 8.147 -22.599 1.00 16.17 ? 248 LEU A CB 1 -ATOM 4337 C CG . LEU A 1 258 ? 4.684 9.407 -23.355 1.00 17.56 ? 248 LEU A CG 1 -ATOM 4338 C CD1 . LEU A 1 258 ? 6.050 9.908 -23.067 1.00 19.07 ? 248 LEU A CD1 1 -ATOM 4339 C CD2 . LEU A 1 258 ? 4.542 9.074 -24.869 1.00 18.55 ? 248 LEU A CD2 1 -ATOM 4340 H H . LEU A 1 258 ? 4.130 6.350 -21.013 1.00 18.00 ? 248 LEU A H 1 -ATOM 4341 H HA . LEU A 1 258 ? 5.253 8.702 -20.839 1.00 17.57 ? 248 LEU A HA 1 -ATOM 4342 H HB2 . LEU A 1 258 ? 5.010 7.473 -22.853 1.00 19.41 ? 248 LEU A HB2 1 -ATOM 4343 H HB3 . LEU A 1 258 ? 3.470 7.864 -22.860 1.00 19.41 ? 248 LEU A HB3 1 -ATOM 4344 H HG . LEU A 1 258 ? 4.081 10.118 -23.089 1.00 21.07 ? 248 LEU A HG 1 -ATOM 4345 H HD11 . LEU A 1 258 ? 6.272 10.605 -23.704 1.00 22.89 ? 248 LEU A HD11 1 -ATOM 4346 H HD12 . LEU A 1 258 ? 6.071 10.265 -22.165 1.00 22.89 ? 248 LEU A HD12 1 -ATOM 4347 H HD13 . LEU A 1 258 ? 6.679 9.174 -23.147 1.00 22.89 ? 248 LEU A HD13 1 -ATOM 4348 H HD21 . LEU A 1 258 ? 4.799 9.852 -25.388 1.00 22.25 ? 248 LEU A HD21 1 -ATOM 4349 H HD22 . LEU A 1 258 ? 5.121 8.326 -25.083 1.00 22.25 ? 248 LEU A HD22 1 -ATOM 4350 H HD23 . LEU A 1 258 ? 3.619 8.842 -25.056 1.00 22.25 ? 248 LEU A HD23 1 -ATOM 4351 N N . THR A 1 259 ? 2.102 8.812 -20.442 1.00 13.96 ? 249 THR A N 1 -ATOM 4352 C CA . THR A 1 259 ? 1.031 9.684 -19.949 1.00 13.04 ? 249 THR A CA 1 -ATOM 4353 C C . THR A 1 259 ? 1.303 10.106 -18.509 1.00 13.95 ? 249 THR A C 1 -ATOM 4354 O O . THR A 1 259 ? 1.063 11.266 -18.131 1.00 14.18 ? 249 THR A O 1 -ATOM 4355 C CB . THR A 1 259 ? -0.342 8.976 -20.088 1.00 13.73 ? 249 THR A CB 1 -ATOM 4356 O OG1 . THR A 1 259 ? -0.531 8.523 -21.444 1.00 15.00 ? 249 THR A OG1 1 -ATOM 4357 C CG2 . THR A 1 259 ? -1.469 9.903 -19.759 1.00 14.37 ? 249 THR A CG2 1 -ATOM 4358 H H . THR A 1 259 ? 1.853 8.010 -20.630 1.00 16.76 ? 249 THR A H 1 -ATOM 4359 H HA . THR A 1 259 ? 0.992 10.487 -20.491 1.00 15.64 ? 249 THR A HA 1 -ATOM 4360 H HB . THR A 1 259 ? -0.356 8.227 -19.473 1.00 16.48 ? 249 THR A HB 1 -ATOM 4361 H HG1 . THR A 1 259 ? 0.049 7.948 -21.639 1.00 18.00 ? 249 THR A HG1 1 -ATOM 4362 H HG21 . THR A 1 259 ? -2.318 9.472 -19.944 1.00 17.25 ? 249 THR A HG21 1 -ATOM 4363 H HG22 . THR A 1 259 ? -1.436 10.145 -18.820 1.00 17.25 ? 249 THR A HG22 1 -ATOM 4364 H HG23 . THR A 1 259 ? -1.402 10.710 -20.294 1.00 17.25 ? 249 THR A HG23 1 -ATOM 4365 N N . LEU A 1 260 ? 1.734 9.169 -17.680 1.00 13.29 ? 250 LEU A N 1 -ATOM 4366 C CA A LEU A 1 260 ? 2.094 9.497 -16.299 0.46 14.02 ? 250 LEU A CA 1 -ATOM 4367 C CA B LEU A 1 260 ? 2.076 9.497 -16.304 0.54 13.26 ? 250 LEU A CA 1 -ATOM 4368 C C . LEU A 1 260 ? 3.189 10.542 -16.251 1.00 13.60 ? 250 LEU A C 1 -ATOM 4369 O O . LEU A 1 260 ? 3.176 11.455 -15.417 1.00 13.82 ? 250 LEU A O 1 -ATOM 4370 C CB A LEU A 1 260 ? 2.632 8.280 -15.556 0.46 16.59 ? 250 LEU A CB 1 -ATOM 4371 C CB B LEU A 1 260 ? 2.458 8.188 -15.628 0.54 14.93 ? 250 LEU A CB 1 -ATOM 4372 C CG A LEU A 1 260 ? 1.723 7.310 -14.880 0.46 14.58 ? 250 LEU A CG 1 -ATOM 4373 C CG B LEU A 1 260 ? 2.600 8.152 -14.155 0.54 13.51 ? 250 LEU A CG 1 -ATOM 4374 C CD1 A LEU A 1 260 ? 2.632 6.372 -14.110 0.46 18.44 ? 250 LEU A CD1 1 -ATOM 4375 C CD1 B LEU A 1 260 ? 1.315 8.519 -13.511 0.54 14.48 ? 250 LEU A CD1 1 -ATOM 4376 C CD2 A LEU A 1 260 ? 0.774 7.976 -13.882 0.46 13.41 ? 250 LEU A CD2 1 -ATOM 4377 C CD2 B LEU A 1 260 ? 3.002 6.735 -13.797 0.54 18.07 ? 250 LEU A CD2 1 -ATOM 4378 H H A LEU A 1 260 ? 1.829 8.339 -17.884 0.46 15.94 ? 250 LEU A H 1 -ATOM 4379 H H B LEU A 1 260 ? 1.837 8.340 -17.885 0.54 15.94 ? 250 LEU A H 1 -ATOM 4380 H HA A LEU A 1 260 ? 1.282 9.813 -15.872 0.46 16.82 ? 250 LEU A HA 1 -ATOM 4381 H HA B LEU A 1 260 ? 1.330 9.889 -15.825 0.54 15.91 ? 250 LEU A HA 1 -ATOM 4382 H HB2 A LEU A 1 260 ? 3.138 7.760 -16.200 0.46 19.91 ? 250 LEU A HB2 1 -ATOM 4383 H HB2 B LEU A 1 260 ? 1.777 7.536 -15.854 0.54 17.92 ? 250 LEU A HB2 1 -ATOM 4384 H HB3 A LEU A 1 260 ? 3.222 8.614 -14.863 0.46 19.91 ? 250 LEU A HB3 1 -ATOM 4385 H HB3 B LEU A 1 260 ? 3.314 7.913 -15.992 0.54 17.92 ? 250 LEU A HB3 1 -ATOM 4386 H HG A LEU A 1 260 ? 1.166 6.865 -15.538 0.46 17.49 ? 250 LEU A HG 1 -ATOM 4387 H HG B LEU A 1 260 ? 3.264 8.783 -13.836 0.54 16.22 ? 250 LEU A HG 1 -ATOM 4388 H HD11 A LEU A 1 260 ? 2.090 5.697 -13.672 0.46 22.12 ? 250 LEU A HD11 1 -ATOM 4389 H HD11 B LEU A 1 260 ? 1.368 8.318 -12.564 0.54 17.38 ? 250 LEU A HD11 1 -ATOM 4390 H HD12 A LEU A 1 260 ? 3.248 5.951 -14.729 0.46 22.12 ? 250 LEU A HD12 1 -ATOM 4391 H HD12 B LEU A 1 260 ? 1.157 9.467 -13.640 0.54 17.38 ? 250 LEU A HD12 1 -ATOM 4392 H HD13 A LEU A 1 260 ? 3.124 6.882 -13.448 0.46 22.12 ? 250 LEU A HD13 1 -ATOM 4393 H HD13 B LEU A 1 260 ? 0.600 8.006 -13.919 0.54 17.38 ? 250 LEU A HD13 1 -ATOM 4394 H HD21 A LEU A 1 260 ? 0.243 7.292 -13.446 0.46 16.09 ? 250 LEU A HD21 1 -ATOM 4395 H HD21 B LEU A 1 260 ? 2.955 6.627 -12.835 0.54 21.69 ? 250 LEU A HD21 1 -ATOM 4396 H HD22 A LEU A 1 260 ? 1.297 8.459 -13.223 0.46 16.09 ? 250 LEU A HD22 1 -ATOM 4397 H HD22 B LEU A 1 260 ? 2.393 6.116 -14.230 0.54 21.69 ? 250 LEU A HD22 1 -ATOM 4398 H HD23 A LEU A 1 260 ? 0.195 8.591 -14.359 0.46 16.09 ? 250 LEU A HD23 1 -ATOM 4399 H HD23 B LEU A 1 260 ? 3.908 6.577 -14.105 0.54 21.69 ? 250 LEU A HD23 1 -ATOM 4400 N N . LYS A 1 261 ? 4.175 10.462 -17.161 1.00 13.56 ? 251 LYS A N 1 -ATOM 4401 C CA . LYS A 1 261 ? 5.223 11.451 -17.199 1.00 14.31 ? 251 LYS A CA 1 -ATOM 4402 C C . LYS A 1 261 ? 4.682 12.817 -17.615 1.00 13.64 ? 251 LYS A C 1 -ATOM 4403 O O . LYS A 1 261 ? 5.168 13.860 -17.144 1.00 15.12 ? 251 LYS A O 1 -ATOM 4404 C CB . LYS A 1 261 ? 6.342 10.959 -18.133 1.00 15.02 ? 251 LYS A CB 1 -ATOM 4405 C CG . LYS A 1 261 ? 7.073 9.762 -17.552 1.00 15.81 ? 251 LYS A CG 1 -ATOM 4406 C CD . LYS A 1 261 ? 8.047 9.120 -18.498 1.00 20.88 ? 251 LYS A CD 1 -ATOM 4407 C CE . LYS A 1 261 ? 9.182 10.024 -18.769 1.00 20.88 ? 251 LYS A CE 1 -ATOM 4408 N NZ . LYS A 1 261 ? 10.314 9.281 -19.448 1.00 19.32 ? 251 LYS A NZ 1 -ATOM 4409 H H . LYS A 1 261 ? 4.247 9.844 -17.755 1.00 16.27 ? 251 LYS A H 1 -ATOM 4410 H HA . LYS A 1 261 ? 5.611 11.565 -16.318 1.00 17.18 ? 251 LYS A HA 1 -ATOM 4411 H HB2 . LYS A 1 261 ? 5.956 10.698 -18.983 1.00 18.03 ? 251 LYS A HB2 1 -ATOM 4412 H HB3 . LYS A 1 261 ? 6.984 11.674 -18.265 1.00 18.03 ? 251 LYS A HB3 1 -ATOM 4413 H HG2 . LYS A 1 261 ? 7.569 10.050 -16.770 1.00 18.98 ? 251 LYS A HG2 1 -ATOM 4414 H HG3 . LYS A 1 261 ? 6.420 9.090 -17.302 1.00 18.98 ? 251 LYS A HG3 1 -ATOM 4415 H HD2 . LYS A 1 261 ? 8.391 8.303 -18.106 1.00 25.06 ? 251 LYS A HD2 1 -ATOM 4416 H HD3 . LYS A 1 261 ? 7.602 8.924 -19.338 1.00 25.06 ? 251 LYS A HD3 1 -ATOM 4417 H HE2 . LYS A 1 261 ? 8.892 10.742 -19.353 1.00 25.06 ? 251 LYS A HE2 1 -ATOM 4418 H HE3 . LYS A 1 261 ? 9.511 10.389 -17.933 1.00 25.06 ? 251 LYS A HE3 1 -ATOM 4419 H HZ1 . LYS A 1 261 ? 10.987 9.839 -19.616 1.00 23.19 ? 251 LYS A HZ1 1 -ATOM 4420 H HZ2 . LYS A 1 261 ? 10.606 8.625 -18.922 1.00 23.19 ? 251 LYS A HZ2 1 -ATOM 4421 H HZ3 . LYS A 1 261 ? 10.031 8.931 -20.216 1.00 23.19 ? 251 LYS A HZ3 1 -ATOM 4422 N N . MET A 1 262 ? 3.683 12.837 -18.483 1.00 13.93 ? 252 MET A N 1 -ATOM 4423 C CA . MET A 1 262 ? 3.015 14.096 -18.825 1.00 13.87 ? 252 MET A CA 1 -ATOM 4424 C C . MET A 1 262 ? 2.304 14.695 -17.617 1.00 14.71 ? 252 MET A C 1 -ATOM 4425 O O . MET A 1 262 ? 2.336 15.924 -17.432 1.00 14.43 ? 252 MET A O 1 -ATOM 4426 C CB . MET A 1 262 ? 2.059 13.849 -20.000 1.00 13.79 ? 252 MET A CB 1 -ATOM 4427 C CG . MET A 1 262 ? 2.760 13.679 -21.330 1.00 14.53 ? 252 MET A CG 1 -ATOM 4428 S SD . MET A 1 262 ? 3.473 15.192 -21.987 1.00 15.00 ? 252 MET A SD 1 -ATOM 4429 C CE . MET A 1 262 ? 2.023 16.098 -22.437 1.00 16.03 ? 252 MET A CE 1 -ATOM 4430 H H . MET A 1 262 ? 3.370 12.146 -18.888 1.00 16.72 ? 252 MET A H 1 -ATOM 4431 H HA . MET A 1 262 ? 3.672 14.747 -19.117 1.00 16.65 ? 252 MET A HA 1 -ATOM 4432 H HB2 . MET A 1 262 ? 1.553 13.040 -19.827 1.00 16.55 ? 252 MET A HB2 1 -ATOM 4433 H HB3 . MET A 1 262 ? 1.457 14.606 -20.078 1.00 16.55 ? 252 MET A HB3 1 -ATOM 4434 H HG2 . MET A 1 262 ? 3.480 13.038 -21.222 1.00 17.43 ? 252 MET A HG2 1 -ATOM 4435 H HG3 . MET A 1 262 ? 2.119 13.351 -21.979 1.00 17.43 ? 252 MET A HG3 1 -ATOM 4436 H HE1 . MET A 1 262 ? 2.288 16.919 -22.880 1.00 19.23 ? 252 MET A HE1 1 -ATOM 4437 H HE2 . MET A 1 262 ? 1.485 15.557 -23.036 1.00 19.23 ? 252 MET A HE2 1 -ATOM 4438 H HE3 . MET A 1 262 ? 1.518 16.304 -21.635 1.00 19.23 ? 252 MET A HE3 1 -ATOM 4439 N N . VAL A 1 263 ? 1.604 13.870 -16.821 1.00 13.26 ? 253 VAL A N 1 -ATOM 4440 C CA . VAL A 1 263 ? 0.985 14.375 -15.580 1.00 13.81 ? 253 VAL A CA 1 -ATOM 4441 C C . VAL A 1 263 ? 2.043 14.928 -14.643 1.00 13.49 ? 253 VAL A C 1 -ATOM 4442 O O . VAL A 1 263 ? 1.894 16.024 -14.087 1.00 13.56 ? 253 VAL A O 1 -ATOM 4443 C CB . VAL A 1 263 ? 0.188 13.242 -14.914 1.00 14.09 ? 253 VAL A CB 1 -ATOM 4444 C CG1 . VAL A 1 263 ? -0.233 13.639 -13.490 1.00 14.35 ? 253 VAL A CG1 1 -ATOM 4445 C CG2 . VAL A 1 263 ? -1.034 12.875 -15.759 1.00 14.68 ? 253 VAL A CG2 1 -ATOM 4446 H H . VAL A 1 263 ? 1.475 13.033 -16.971 1.00 15.91 ? 253 VAL A H 1 -ATOM 4447 H HA . VAL A 1 263 ? 0.380 15.101 -15.799 1.00 16.57 ? 253 VAL A HA 1 -ATOM 4448 H HB . VAL A 1 263 ? 0.755 12.458 -14.850 1.00 16.91 ? 253 VAL A HB 1 -ATOM 4449 H HG11 . VAL A 1 263 ? -0.955 13.059 -13.201 1.00 17.21 ? 253 VAL A HG11 1 -ATOM 4450 H HG12 . VAL A 1 263 ? 0.528 13.541 -12.897 1.00 17.21 ? 253 VAL A HG12 1 -ATOM 4451 H HG13 . VAL A 1 263 ? -0.532 14.562 -13.495 1.00 17.21 ? 253 VAL A HG13 1 -ATOM 4452 H HG21 . VAL A 1 263 ? -1.513 12.152 -15.324 1.00 17.61 ? 253 VAL A HG21 1 -ATOM 4453 H HG22 . VAL A 1 263 ? -1.608 13.652 -15.839 1.00 17.61 ? 253 VAL A HG22 1 -ATOM 4454 H HG23 . VAL A 1 263 ? -0.736 12.592 -16.638 1.00 17.61 ? 253 VAL A HG23 1 -ATOM 4455 N N . ALA A 1 264 ? 3.128 14.189 -14.478 1.00 13.24 ? 254 ALA A N 1 -ATOM 4456 C CA . ALA A 1 264 ? 4.172 14.632 -13.558 1.00 13.89 ? 254 ALA A CA 1 -ATOM 4457 C C . ALA A 1 264 ? 4.764 15.960 -14.026 1.00 14.50 ? 254 ALA A C 1 -ATOM 4458 O O . ALA A 1 264 ? 4.978 16.892 -13.219 1.00 14.29 ? 254 ALA A O 1 -ATOM 4459 C CB . ALA A 1 264 ? 5.255 13.573 -13.458 1.00 15.04 ? 254 ALA A CB 1 -ATOM 4460 H H . ALA A 1 264 ? 3.285 13.442 -14.875 1.00 15.89 ? 254 ALA A H 1 -ATOM 4461 H HA . ALA A 1 264 ? 3.790 14.757 -12.675 1.00 16.67 ? 254 ALA A HA 1 -ATOM 4462 H HB1 . ALA A 1 264 ? 5.940 13.878 -12.843 1.00 18.05 ? 254 ALA A HB1 1 -ATOM 4463 H HB2 . ALA A 1 264 ? 4.861 12.748 -13.132 1.00 18.05 ? 254 ALA A HB2 1 -ATOM 4464 H HB3 . ALA A 1 264 ? 5.639 13.431 -14.338 1.00 18.05 ? 254 ALA A HB3 1 -ATOM 4465 N N . LEU A 1 265 ? 5.112 16.062 -15.325 1.00 14.35 ? 255 LEU A N 1 -ATOM 4466 C CA . LEU A 1 265 ? 5.688 17.313 -15.832 1.00 14.21 ? 255 LEU A CA 1 -ATOM 4467 C C . LEU A 1 265 ? 4.687 18.453 -15.748 1.00 14.12 ? 255 LEU A C 1 -ATOM 4468 O O . LEU A 1 265 ? 5.082 19.588 -15.470 1.00 15.27 ? 255 LEU A O 1 -ATOM 4469 C CB . LEU A 1 265 ? 6.222 17.101 -17.248 1.00 15.48 ? 255 LEU A CB 1 -ATOM 4470 C CG . LEU A 1 265 ? 7.490 16.254 -17.290 1.00 15.30 ? 255 LEU A CG 1 -ATOM 4471 C CD1 . LEU A 1 265 ? 7.711 15.739 -18.719 1.00 17.88 ? 255 LEU A CD1 1 -ATOM 4472 C CD2 . LEU A 1 265 ? 8.697 17.088 -16.824 1.00 16.75 ? 255 LEU A CD2 1 -ATOM 4473 H H . LEU A 1 265 ? 5.026 15.439 -15.911 1.00 17.23 ? 255 LEU A H 1 -ATOM 4474 H HA . LEU A 1 265 ? 6.449 17.574 -15.289 1.00 17.05 ? 255 LEU A HA 1 -ATOM 4475 H HB2 . LEU A 1 265 ? 5.543 16.649 -17.774 1.00 18.57 ? 255 LEU A HB2 1 -ATOM 4476 H HB3 . LEU A 1 265 ? 6.425 17.964 -17.640 1.00 18.57 ? 255 LEU A HB3 1 -ATOM 4477 H HG . LEU A 1 265 ? 7.403 15.494 -16.694 1.00 18.36 ? 255 LEU A HG 1 -ATOM 4478 H HD11 . LEU A 1 265 ? 8.523 15.209 -18.741 1.00 21.45 ? 255 LEU A HD11 1 -ATOM 4479 H HD12 . LEU A 1 265 ? 6.952 15.194 -18.978 1.00 21.45 ? 255 LEU A HD12 1 -ATOM 4480 H HD13 . LEU A 1 265 ? 7.793 16.497 -19.318 1.00 21.45 ? 255 LEU A HD13 1 -ATOM 4481 H HD21 . LEU A 1 265 ? 9.503 16.558 -16.921 1.00 20.10 ? 255 LEU A HD21 1 -ATOM 4482 H HD22 . LEU A 1 265 ? 8.758 17.887 -17.370 1.00 20.10 ? 255 LEU A HD22 1 -ATOM 4483 H HD23 . LEU A 1 265 ? 8.572 17.332 -15.893 1.00 20.10 ? 255 LEU A HD23 1 -ATOM 4484 N N . THR A 1 266 ? 3.412 18.175 -15.922 1.00 14.04 ? 256 THR A N 1 -ATOM 4485 C CA . THR A 1 266 ? 2.374 19.211 -15.770 1.00 13.62 ? 256 THR A CA 1 -ATOM 4486 C C . THR A 1 266 ? 2.366 19.751 -14.346 1.00 14.93 ? 256 THR A C 1 -ATOM 4487 O O . THR A 1 266 ? 2.328 20.959 -14.133 1.00 14.95 ? 256 THR A O 1 -ATOM 4488 C CB . THR A 1 266 ? 0.998 18.698 -16.168 1.00 13.62 ? 256 THR A CB 1 -ATOM 4489 O OG1 . THR A 1 266 ? 1.018 18.419 -17.578 1.00 14.42 ? 256 THR A OG1 1 -ATOM 4490 C CG2 . THR A 1 266 ? -0.050 19.773 -15.984 1.00 15.92 ? 256 THR A CG2 1 -ATOM 4491 H H . THR A 1 266 ? 3.105 17.398 -16.128 1.00 16.85 ? 256 THR A H 1 -ATOM 4492 H HA . THR A 1 266 ? 2.580 19.936 -16.380 1.00 16.34 ? 256 THR A HA 1 -ATOM 4493 H HB . THR A 1 266 ? 0.781 17.921 -15.629 1.00 16.34 ? 256 THR A HB 1 -ATOM 4494 H HG1 . THR A 1 266 ? 1.557 17.796 -17.740 1.00 17.31 ? 256 THR A HG1 1 -ATOM 4495 H HG21 . THR A 1 266 ? -0.883 19.499 -16.400 1.00 19.11 ? 256 THR A HG21 1 -ATOM 4496 H HG22 . THR A 1 266 ? -0.206 19.927 -15.039 1.00 19.11 ? 256 THR A HG22 1 -ATOM 4497 H HG23 . THR A 1 266 ? 0.248 20.601 -16.393 1.00 19.11 ? 256 THR A HG23 1 -ATOM 4498 N N . ARG A 1 267 ? 2.428 18.855 -13.343 1.00 13.97 ? 257 ARG A N 1 -ATOM 4499 C CA . ARG A 1 267 ? 2.498 19.321 -11.961 1.00 13.87 ? 257 ARG A CA 1 -ATOM 4500 C C . ARG A 1 267 ? 3.753 20.138 -11.734 1.00 14.80 ? 257 ARG A C 1 -ATOM 4501 O O . ARG A 1 267 ? 3.712 21.161 -11.035 1.00 15.04 ? 257 ARG A O 1 -ATOM 4502 C CB . ARG A 1 267 ? 2.489 18.120 -11.028 1.00 14.28 ? 257 ARG A CB 1 -ATOM 4503 C CG . ARG A 1 267 ? 2.825 18.442 -9.536 1.00 15.31 ? 257 ARG A CG 1 -ATOM 4504 C CD . ARG A 1 267 ? 1.832 19.429 -8.870 1.00 14.48 ? 257 ARG A CD 1 -ATOM 4505 N NE . ARG A 1 267 ? 0.525 18.827 -8.778 1.00 13.76 ? 257 ARG A NE 1 -ATOM 4506 C CZ . ARG A 1 267 ? -0.638 19.473 -8.787 1.00 13.65 ? 257 ARG A CZ 1 -ATOM 4507 N NH1 . ARG A 1 267 ? -0.639 20.806 -8.699 1.00 14.84 ? 257 ARG A NH1 1 -ATOM 4508 N NH2 . ARG A 1 267 ? -1.791 18.808 -8.821 1.00 13.98 ? 257 ARG A NH2 1 -ATOM 4509 H H . ARG A 1 267 ? 2.431 18.000 -13.440 1.00 16.77 ? 257 ARG A H 1 -ATOM 4510 H HA . ARG A 1 267 ? 1.726 19.876 -11.767 1.00 16.64 ? 257 ARG A HA 1 -ATOM 4511 H HB2 . ARG A 1 267 ? 1.604 17.723 -11.048 1.00 17.14 ? 257 ARG A HB2 1 -ATOM 4512 H HB3 . ARG A 1 267 ? 3.147 17.481 -11.343 1.00 17.14 ? 257 ARG A HB3 1 -ATOM 4513 H HG2 . ARG A 1 267 ? 2.807 17.617 -9.027 1.00 18.37 ? 257 ARG A HG2 1 -ATOM 4514 H HG3 . ARG A 1 267 ? 3.709 18.840 -9.494 1.00 18.37 ? 257 ARG A HG3 1 -ATOM 4515 H HD2 . ARG A 1 267 ? 2.138 19.647 -7.976 1.00 17.38 ? 257 ARG A HD2 1 -ATOM 4516 H HD3 . ARG A 1 267 ? 1.766 20.236 -9.404 1.00 17.38 ? 257 ARG A HD3 1 -ATOM 4517 H HE . ARG A 1 267 ? 0.494 17.970 -8.711 1.00 16.51 ? 257 ARG A HE 1 -ATOM 4518 H HH11 . ARG A 1 267 ? 0.105 21.234 -8.638 1.00 17.81 ? 257 ARG A HH11 1 -ATOM 4519 H HH12 . ARG A 1 267 ? -1.383 21.237 -8.704 1.00 17.81 ? 257 ARG A HH12 1 -ATOM 4520 H HH21 . ARG A 1 267 ? -1.792 17.948 -8.838 1.00 16.78 ? 257 ARG A HH21 1 -ATOM 4521 H HH22 . ARG A 1 267 ? -2.536 19.239 -8.826 1.00 16.78 ? 257 ARG A HH22 1 -ATOM 4522 N N . ILE A 1 268 ? 4.902 19.687 -12.232 1.00 15.13 ? 258 ILE A N 1 -ATOM 4523 C CA . ILE A 1 268 ? 6.131 20.463 -12.053 1.00 16.24 ? 258 ILE A CA 1 -ATOM 4524 C C . ILE A 1 268 ? 5.997 21.854 -12.673 1.00 17.21 ? 258 ILE A C 1 -ATOM 4525 O O . ILE A 1 268 ? 6.405 22.869 -12.077 1.00 17.81 ? 258 ILE A O 1 -ATOM 4526 C CB . ILE A 1 268 ? 7.312 19.658 -12.636 1.00 16.03 ? 258 ILE A CB 1 -ATOM 4527 C CG1 . ILE A 1 268 ? 7.561 18.431 -11.768 1.00 17.52 ? 258 ILE A CG1 1 -ATOM 4528 C CG2 . ILE A 1 268 ? 8.602 20.509 -12.711 1.00 18.79 ? 258 ILE A CG2 1 -ATOM 4529 C CD1 . ILE A 1 268 ? 8.348 17.322 -12.435 1.00 18.43 ? 258 ILE A CD1 1 -ATOM 4530 H H . ILE A 1 268 ? 4.998 18.952 -12.667 1.00 18.15 ? 258 ILE A H 1 -ATOM 4531 H HA . ILE A 1 268 ? 6.294 20.605 -11.108 1.00 19.49 ? 258 ILE A HA 1 -ATOM 4532 H HB . ILE A 1 268 ? 7.076 19.391 -13.538 1.00 19.24 ? 258 ILE A HB 1 -ATOM 4533 H HG12 . ILE A 1 268 ? 8.057 18.707 -10.982 1.00 21.02 ? 258 ILE A HG12 1 -ATOM 4534 H HG13 . ILE A 1 268 ? 6.703 18.061 -11.506 1.00 21.02 ? 258 ILE A HG13 1 -ATOM 4535 H HG21 . ILE A 1 268 ? 9.355 19.926 -12.892 1.00 22.54 ? 258 ILE A HG21 1 -ATOM 4536 H HG22 . ILE A 1 268 ? 8.509 21.161 -13.424 1.00 22.54 ? 258 ILE A HG22 1 -ATOM 4537 H HG23 . ILE A 1 268 ? 8.731 20.963 -11.864 1.00 22.54 ? 258 ILE A HG23 1 -ATOM 4538 H HD11 . ILE A 1 268 ? 8.408 16.568 -11.827 1.00 22.12 ? 258 ILE A HD11 1 -ATOM 4539 H HD12 . ILE A 1 268 ? 7.892 17.056 -13.248 1.00 22.12 ? 258 ILE A HD12 1 -ATOM 4540 H HD13 . ILE A 1 268 ? 9.237 17.648 -12.646 1.00 22.12 ? 258 ILE A HD13 1 -ATOM 4541 N N . LEU A 1 269 ? 5.433 21.932 -13.886 1.00 16.05 ? 259 LEU A N 1 -ATOM 4542 C CA . LEU A 1 269 ? 5.290 23.210 -14.589 1.00 16.32 ? 259 LEU A CA 1 -ATOM 4543 C C . LEU A 1 269 ? 4.254 24.122 -13.943 1.00 17.65 ? 259 LEU A C 1 -ATOM 4544 O O . LEU A 1 269 ? 4.425 25.359 -13.955 1.00 18.64 ? 259 LEU A O 1 -ATOM 4545 C CB . LEU A 1 269 ? 4.925 22.948 -16.040 1.00 17.71 ? 259 LEU A CB 1 -ATOM 4546 C CG . LEU A 1 269 ? 6.033 22.365 -16.923 1.00 17.72 ? 259 LEU A CG 1 -ATOM 4547 C CD1 . LEU A 1 269 ? 5.445 21.846 -18.221 1.00 21.07 ? 259 LEU A CD1 1 -ATOM 4548 C CD2 . LEU A 1 269 ? 7.041 23.408 -17.207 1.00 22.51 ? 259 LEU A CD2 1 -ATOM 4549 H H . LEU A 1 269 ? 5.126 21.258 -14.323 1.00 19.26 ? 259 LEU A H 1 -ATOM 4550 H HA . LEU A 1 269 ? 6.140 23.676 -14.557 1.00 19.58 ? 259 LEU A HA 1 -ATOM 4551 H HB2 . LEU A 1 269 ? 4.186 22.320 -16.057 1.00 21.25 ? 259 LEU A HB2 1 -ATOM 4552 H HB3 . LEU A 1 269 ? 4.654 23.789 -16.440 1.00 21.25 ? 259 LEU A HB3 1 -ATOM 4553 H HG . LEU A 1 269 ? 6.464 21.627 -16.464 1.00 21.27 ? 259 LEU A HG 1 -ATOM 4554 H HD11 . LEU A 1 269 ? 6.160 21.493 -18.773 1.00 25.28 ? 259 LEU A HD11 1 -ATOM 4555 H HD12 . LEU A 1 269 ? 4.806 21.145 -18.020 1.00 25.28 ? 259 LEU A HD12 1 -ATOM 4556 H HD13 . LEU A 1 269 ? 5.002 22.576 -18.681 1.00 25.28 ? 259 LEU A HD13 1 -ATOM 4557 H HD21 . LEU A 1 269 ? 7.708 23.047 -17.812 1.00 27.02 ? 259 LEU A HD21 1 -ATOM 4558 H HD22 . LEU A 1 269 ? 6.601 24.170 -17.616 1.00 27.02 ? 259 LEU A HD22 1 -ATOM 4559 H HD23 . LEU A 1 269 ? 7.460 23.677 -16.374 1.00 27.02 ? 259 LEU A HD23 1 -ATOM 4560 N N . LEU A 1 270 ? 3.195 23.540 -13.377 1.00 16.52 ? 260 LEU A N 1 -ATOM 4561 C CA . LEU A 1 270 ? 2.019 24.280 -12.871 1.00 17.56 ? 260 LEU A CA 1 -ATOM 4562 C C . LEU A 1 270 ? 1.754 23.779 -11.456 1.00 15.42 ? 260 LEU A C 1 -ATOM 4563 O O . LEU A 1 270 ? 0.823 23.030 -11.205 1.00 15.49 ? 260 LEU A O 1 -ATOM 4564 C CB . LEU A 1 270 ? 0.792 24.032 -13.770 1.00 15.52 ? 260 LEU A CB 1 -ATOM 4565 C CG . LEU A 1 270 ? 0.903 24.625 -15.181 1.00 17.50 ? 260 LEU A CG 1 -ATOM 4566 C CD1 . LEU A 1 270 ? -0.326 24.214 -15.980 1.00 20.15 ? 260 LEU A CD1 1 -ATOM 4567 C CD2 . LEU A 1 270 ? 1.095 26.140 -15.168 1.00 20.99 ? 260 LEU A CD2 1 -ATOM 4568 H H . LEU A 1 270 ? 3.125 22.690 -13.267 1.00 19.82 ? 260 LEU A H 1 -ATOM 4569 H HA . LEU A 1 270 ? 2.203 25.233 -12.851 1.00 21.07 ? 260 LEU A HA 1 -ATOM 4570 H HB2 . LEU A 1 270 ? 0.667 23.075 -13.863 1.00 18.62 ? 260 LEU A HB2 1 -ATOM 4571 H HB3 . LEU A 1 270 ? 0.015 24.428 -13.346 1.00 18.62 ? 260 LEU A HB3 1 -ATOM 4572 H HG . LEU A 1 270 ? 1.697 24.275 -15.615 1.00 21.00 ? 260 LEU A HG 1 -ATOM 4573 H HD11 . LEU A 1 270 ? -0.261 24.586 -16.873 1.00 24.18 ? 260 LEU A HD11 1 -ATOM 4574 H HD12 . LEU A 1 270 ? -0.363 23.246 -16.027 1.00 24.18 ? 260 LEU A HD12 1 -ATOM 4575 H HD13 . LEU A 1 270 ? -1.119 24.554 -15.537 1.00 24.18 ? 260 LEU A HD13 1 -ATOM 4576 H HD21 . LEU A 1 270 ? 1.000 26.478 -16.072 1.00 25.19 ? 260 LEU A HD21 1 -ATOM 4577 H HD22 . LEU A 1 270 ? 0.423 26.539 -14.594 1.00 25.19 ? 260 LEU A HD22 1 -ATOM 4578 H HD23 . LEU A 1 270 ? 1.981 26.344 -14.830 1.00 25.19 ? 260 LEU A HD23 1 -ATOM 4579 N N . PRO A 1 271 ? 2.549 24.241 -10.494 1.00 15.88 ? 261 PRO A N 1 -ATOM 4580 C CA . PRO A 1 271 ? 2.541 23.610 -9.162 1.00 16.75 ? 261 PRO A CA 1 -ATOM 4581 C C . PRO A 1 271 ? 1.273 23.665 -8.382 1.00 15.59 ? 261 PRO A C 1 -ATOM 4582 O O . PRO A 1 271 ? 1.025 22.774 -7.554 1.00 16.71 ? 261 PRO A O 1 -ATOM 4583 C CB . PRO A 1 271 ? 3.660 24.344 -8.405 1.00 16.95 ? 261 PRO A CB 1 -ATOM 4584 C CG . PRO A 1 271 ? 4.611 24.736 -9.481 1.00 19.49 ? 261 PRO A CG 1 -ATOM 4585 C CD . PRO A 1 271 ? 3.702 25.144 -10.626 1.00 18.06 ? 261 PRO A CD 1 -ATOM 4586 H HA . PRO A 1 271 ? 2.761 22.676 -9.305 1.00 20.10 ? 261 PRO A HA 1 -ATOM 4587 H HB2 . PRO A 1 271 ? 3.302 25.123 -7.950 1.00 20.34 ? 261 PRO A HB2 1 -ATOM 4588 H HB3 . PRO A 1 271 ? 4.078 23.748 -7.764 1.00 20.34 ? 261 PRO A HB3 1 -ATOM 4589 H HG2 . PRO A 1 271 ? 5.163 25.477 -9.188 1.00 23.39 ? 261 PRO A HG2 1 -ATOM 4590 H HG3 . PRO A 1 271 ? 5.170 23.982 -9.727 1.00 23.39 ? 261 PRO A HG3 1 -ATOM 4591 H HD2 . PRO A 1 271 ? 3.427 26.069 -10.532 1.00 21.67 ? 261 PRO A HD2 1 -ATOM 4592 H HD3 . PRO A 1 271 ? 4.145 25.014 -11.479 1.00 21.67 ? 261 PRO A HD3 1 -ATOM 4593 N N . ASP A 1 272 ? 0.449 24.680 -8.574 1.00 17.36 ? 262 ASP A N 1 -ATOM 4594 C CA . ASP A 1 272 ? -0.782 24.784 -7.796 1.00 17.20 ? 262 ASP A CA 1 -ATOM 4595 C C . ASP A 1 272 ? -2.019 24.507 -8.639 1.00 18.55 ? 262 ASP A C 1 -ATOM 4596 O O . ASP A 1 272 ? -3.138 24.774 -8.223 1.00 16.96 ? 262 ASP A O 1 -ATOM 4597 C CB . ASP A 1 272 ? -0.827 26.066 -6.951 1.00 19.97 ? 262 ASP A CB 1 -ATOM 4598 C CG . ASP A 1 272 ? -0.625 27.299 -7.750 1.00 21.56 ? 262 ASP A CG 1 -ATOM 4599 O OD1 . ASP A 1 272 ? -0.970 27.272 -8.956 1.00 20.83 ? 262 ASP A OD1 1 -ATOM 4600 O OD2 . ASP A 1 272 ? -0.140 28.268 -7.168 1.00 21.98 ? 262 ASP A OD2 1 -ATOM 4601 H H . ASP A 1 272 ? 0.576 25.314 -9.141 1.00 20.83 ? 262 ASP A H 1 -ATOM 4602 H HA . ASP A 1 272 ? -0.792 24.091 -7.117 1.00 20.64 ? 262 ASP A HA 1 -ATOM 4603 H HB2 . ASP A 1 272 ? -1.694 26.129 -6.520 1.00 23.97 ? 262 ASP A HB2 1 -ATOM 4604 H HB3 . ASP A 1 272 ? -0.126 26.027 -6.281 1.00 23.97 ? 262 ASP A HB3 1 -ATOM 4605 N N . SER A 1 273 ? -1.862 23.908 -9.817 1.00 15.44 ? 263 SER A N 1 -ATOM 4606 C CA . SER A 1 273 ? -3.030 23.541 -10.638 1.00 15.24 ? 263 SER A CA 1 -ATOM 4607 C C . SER A 1 273 ? -3.768 22.331 -10.080 1.00 14.61 ? 263 SER A C 1 -ATOM 4608 O O . SER A 1 273 ? -3.241 21.541 -9.285 1.00 15.13 ? 263 SER A O 1 -ATOM 4609 C CB . SER A 1 273 ? -2.596 23.224 -12.068 1.00 15.90 ? 263 SER A CB 1 -ATOM 4610 O OG . SER A 1 273 ? -1.669 22.113 -12.132 1.00 18.77 ? 263 SER A OG 1 -ATOM 4611 H H . SER A 1 273 ? -1.103 23.704 -10.166 1.00 18.52 ? 263 SER A H 1 -ATOM 4612 H HA . SER A 1 273 ? -3.642 24.294 -10.639 1.00 18.29 ? 263 SER A HA 1 -ATOM 4613 H HB2 . SER A 1 273 ? -3.384 22.999 -12.587 1.00 19.08 ? 263 SER A HB2 1 -ATOM 4614 H HB3 . SER A 1 273 ? -2.165 24.009 -12.442 1.00 19.08 ? 263 SER A HB3 1 -ATOM 4615 H HG . SER A 1 273 ? -0.968 22.300 -11.708 1.00 22.53 ? 263 SER A HG 1 -ATOM 4616 N N . ASN A 1 274 ? -5.001 22.185 -10.493 1.00 13.48 ? 264 ASN A N 1 -ATOM 4617 C CA . ASN A 1 274 ? -5.797 21.014 -10.194 1.00 13.35 ? 264 ASN A CA 1 -ATOM 4618 C C . ASN A 1 274 ? -5.662 20.005 -11.318 1.00 13.33 ? 264 ASN A C 1 -ATOM 4619 O O . ASN A 1 274 ? -5.957 20.312 -12.478 1.00 14.59 ? 264 ASN A O 1 -ATOM 4620 C CB . ASN A 1 274 ? -7.253 21.390 -9.955 1.00 13.83 ? 264 ASN A CB 1 -ATOM 4621 C CG . ASN A 1 274 ? -7.478 21.941 -8.583 1.00 14.04 ? 264 ASN A CG 1 -ATOM 4622 O OD1 . ASN A 1 274 ? -6.833 21.520 -7.615 1.00 15.23 ? 264 ASN A OD1 1 -ATOM 4623 N ND2 . ASN A 1 274 ? -8.408 22.881 -8.473 1.00 16.21 ? 264 ASN A ND2 1 -ATOM 4624 H H . ASN A 1 274 ? -5.419 22.769 -10.966 1.00 16.18 ? 264 ASN A H 1 -ATOM 4625 H HA . ASN A 1 274 ? -5.464 20.599 -9.383 1.00 16.02 ? 264 ASN A HA 1 -ATOM 4626 H HB2 . ASN A 1 274 ? -7.517 22.065 -10.599 1.00 16.59 ? 264 ASN A HB2 1 -ATOM 4627 H HB3 . ASN A 1 274 ? -7.807 20.600 -10.057 1.00 16.59 ? 264 ASN A HB3 1 -ATOM 4628 H HD21 . ASN A 1 274 ? -8.576 23.232 -7.705 1.00 19.46 ? 264 ASN A HD21 1 -ATOM 4629 H HD22 . ASN A 1 274 ? -8.842 23.140 -9.168 1.00 19.46 ? 264 ASN A HD22 1 -ATOM 4630 N N . ILE A 1 275 ? -5.185 18.819 -11.030 1.00 12.42 ? 265 ILE A N 1 -ATOM 4631 C CA . ILE A 1 275 ? -4.823 17.802 -12.017 1.00 12.20 ? 265 ILE A CA 1 -ATOM 4632 C C . ILE A 1 275 ? -5.546 16.510 -11.678 1.00 12.56 ? 265 ILE A C 1 -ATOM 4633 O O . ILE A 1 275 ? -5.169 15.833 -10.706 1.00 13.06 ? 265 ILE A O 1 -ATOM 4634 C CB . ILE A 1 275 ? -3.330 17.593 -12.048 1.00 12.96 ? 265 ILE A CB 1 -ATOM 4635 C CG1 . ILE A 1 275 ? -2.592 18.860 -12.410 1.00 14.75 ? 265 ILE A CG1 1 -ATOM 4636 C CG2 . ILE A 1 275 ? -2.972 16.505 -13.067 1.00 15.01 ? 265 ILE A CG2 1 -ATOM 4637 C CD1 . ILE A 1 275 ? -1.072 18.794 -12.379 1.00 15.24 ? 265 ILE A CD1 1 -ATOM 4638 H H . ILE A 1 275 ? -5.048 18.552 -10.225 1.00 14.91 ? 265 ILE A H 1 -ATOM 4639 H HA . ILE A 1 275 ? -5.115 18.092 -12.895 1.00 14.64 ? 265 ILE A HA 1 -ATOM 4640 H HB . ILE A 1 275 ? -3.062 17.324 -11.156 1.00 15.55 ? 265 ILE A HB 1 -ATOM 4641 H HG12 . ILE A 1 275 ? -2.848 19.110 -13.312 1.00 17.70 ? 265 ILE A HG12 1 -ATOM 4642 H HG13 . ILE A 1 275 ? -2.859 19.553 -11.786 1.00 17.70 ? 265 ILE A HG13 1 -ATOM 4643 H HG21 . ILE A 1 275 ? -2.006 16.449 -13.143 1.00 18.01 ? 265 ILE A HG21 1 -ATOM 4644 H HG22 . ILE A 1 275 ? -3.329 15.657 -12.762 1.00 18.01 ? 265 ILE A HG22 1 -ATOM 4645 H HG23 . ILE A 1 275 ? -3.359 16.737 -13.926 1.00 18.01 ? 265 ILE A HG23 1 -ATOM 4646 H HD11 . ILE A 1 275 ? -0.715 19.696 -12.406 1.00 18.28 ? 265 ILE A HD11 1 -ATOM 4647 H HD12 . ILE A 1 275 ? -0.791 18.352 -11.563 1.00 18.28 ? 265 ILE A HD12 1 -ATOM 4648 H HD13 . ILE A 1 275 ? -0.762 18.293 -13.150 1.00 18.28 ? 265 ILE A HD13 1 -ATOM 4649 N N . PRO A 1 276 ? -6.570 16.092 -12.409 1.00 12.30 ? 266 PRO A N 1 -ATOM 4650 C CA . PRO A 1 276 ? -7.219 14.814 -12.132 1.00 13.02 ? 266 PRO A CA 1 -ATOM 4651 C C . PRO A 1 276 ? -6.368 13.626 -12.500 1.00 13.21 ? 266 PRO A C 1 -ATOM 4652 O O . PRO A 1 276 ? -5.577 13.651 -13.441 1.00 13.49 ? 266 PRO A O 1 -ATOM 4653 C CB . PRO A 1 276 ? -8.500 14.838 -12.954 1.00 14.14 ? 266 PRO A CB 1 -ATOM 4654 C CG . PRO A 1 276 ? -8.188 15.795 -14.025 1.00 16.17 ? 266 PRO A CG 1 -ATOM 4655 C CD . PRO A 1 276 ? -7.327 16.894 -13.375 1.00 13.75 ? 266 PRO A CD 1 -ATOM 4656 H HA . PRO A 1 276 ? -7.440 14.774 -11.188 1.00 15.62 ? 266 PRO A HA 1 -ATOM 4657 H HB2 . PRO A 1 276 ? -8.689 13.956 -13.311 1.00 16.96 ? 266 PRO A HB2 1 -ATOM 4658 H HB3 . PRO A 1 276 ? -9.244 15.143 -12.411 1.00 16.96 ? 266 PRO A HB3 1 -ATOM 4659 H HG2 . PRO A 1 276 ? -7.696 15.347 -14.730 1.00 19.41 ? 266 PRO A HG2 1 -ATOM 4660 H HG3 . PRO A 1 276 ? -9.010 16.168 -14.379 1.00 19.41 ? 266 PRO A HG3 1 -ATOM 4661 H HD2 . PRO A 1 276 ? -6.742 17.319 -14.022 1.00 16.50 ? 266 PRO A HD2 1 -ATOM 4662 H HD3 . PRO A 1 276 ? -7.874 17.562 -12.933 1.00 16.50 ? 266 PRO A HD3 1 -ATOM 4663 N N . ALA A 1 277 ? -6.585 12.539 -11.795 1.00 12.69 ? 267 ALA A N 1 -ATOM 4664 C CA . ALA A 1 277 ? -6.215 11.204 -12.226 1.00 11.97 ? 267 ALA A CA 1 -ATOM 4665 C C . ALA A 1 277 ? -7.419 10.720 -13.015 1.00 12.43 ? 267 ALA A C 1 -ATOM 4666 O O . ALA A 1 277 ? -8.467 10.375 -12.440 1.00 13.70 ? 267 ALA A O 1 -ATOM 4667 C CB . ALA A 1 277 ? -5.963 10.325 -10.998 1.00 13.65 ? 267 ALA A CB 1 -ATOM 4668 H H . ALA A 1 277 ? -6.964 12.544 -11.023 1.00 15.23 ? 267 ALA A H 1 -ATOM 4669 H HA . ALA A 1 277 ? -5.415 11.192 -12.774 1.00 14.37 ? 267 ALA A HA 1 -ATOM 4670 H HB1 . ALA A 1 277 ? -5.711 9.436 -11.292 1.00 16.38 ? 267 ALA A HB1 1 -ATOM 4671 H HB2 . ALA A 1 277 ? -5.247 10.715 -10.472 1.00 16.38 ? 267 ALA A HB2 1 -ATOM 4672 H HB3 . ALA A 1 277 ? -6.775 10.281 -10.469 1.00 16.38 ? 267 ALA A HB3 1 -ATOM 4673 N N . THR A 1 278 ? -7.320 10.784 -14.353 1.00 12.91 ? 268 THR A N 1 -ATOM 4674 C CA . THR A 1 278 ? -8.499 10.678 -15.205 1.00 12.95 ? 268 THR A CA 1 -ATOM 4675 C C . THR A 1 278 ? -9.029 9.252 -15.281 1.00 13.14 ? 268 THR A C 1 -ATOM 4676 O O . THR A 1 278 ? -8.330 8.261 -15.088 1.00 13.18 ? 268 THR A O 1 -ATOM 4677 C CB . THR A 1 278 ? -8.230 11.270 -16.591 1.00 13.72 ? 268 THR A CB 1 -ATOM 4678 O OG1 . THR A 1 278 ? -7.208 10.503 -17.195 1.00 14.72 ? 268 THR A OG1 1 -ATOM 4679 C CG2 A THR A 1 278 ? -7.936 12.732 -16.527 1.00 14.33 ? 268 THR A CG2 1 -ATOM 4680 H H . THR A 1 278 ? -6.582 10.888 -14.783 1.00 15.49 ? 268 THR A H 1 -ATOM 4681 H HA . THR A 1 278 ? -9.214 11.202 -14.812 1.00 15.54 ? 268 THR A HA 1 -ATOM 4682 H HB A THR A 1 278 ? -9.017 11.224 -17.157 1.00 16.47 ? 268 THR A HB 1 -ATOM 4683 H HG1 . THR A 1 278 ? -6.983 10.850 -17.926 1.00 17.66 ? 268 THR A HG1 1 -ATOM 4684 H HG21 A THR A 1 278 ? -8.334 13.184 -17.286 1.00 17.19 ? 268 THR A HG21 1 -ATOM 4685 H HG22 A THR A 1 278 ? -8.300 13.108 -15.710 1.00 17.19 ? 268 THR A HG22 1 -ATOM 4686 H HG23 A THR A 1 278 ? -6.977 12.878 -16.540 1.00 17.19 ? 268 THR A HG23 1 -ATOM 4687 N N . THR A 1 279 ? -10.306 9.189 -15.712 1.00 13.77 ? 269 THR A N 1 -ATOM 4688 C CA . THR A 1 279 ? -10.970 7.892 -15.956 1.00 14.71 ? 269 THR A CA 1 -ATOM 4689 C C . THR A 1 279 ? -10.146 7.031 -16.892 1.00 15.36 ? 269 THR A C 1 -ATOM 4690 O O . THR A 1 279 ? -10.026 5.835 -16.695 1.00 15.99 ? 269 THR A O 1 -ATOM 4691 C CB . THR A 1 279 ? -12.325 8.141 -16.621 1.00 16.27 ? 269 THR A CB 1 -ATOM 4692 O OG1 . THR A 1 279 ? -12.985 9.243 -16.025 1.00 16.63 ? 269 THR A OG1 1 -ATOM 4693 C CG2 . THR A 1 279 ? -13.195 6.909 -16.560 1.00 18.38 ? 269 THR A CG2 1 -ATOM 4694 H H . THR A 1 279 ? -10.803 9.874 -15.868 1.00 16.53 ? 269 THR A H 1 -ATOM 4695 H HA . THR A 1 279 ? -11.088 7.436 -15.108 1.00 17.65 ? 269 THR A HA 1 -ATOM 4696 H HB . THR A 1 279 ? -12.176 8.351 -17.557 1.00 19.53 ? 269 THR A HB 1 -ATOM 4697 H HG1 . THR A 1 279 ? -13.782 9.278 -16.290 1.00 19.95 ? 269 THR A HG1 1 -ATOM 4698 H HG21 . THR A 1 279 ? -14.063 7.095 -16.952 1.00 22.05 ? 269 THR A HG21 1 -ATOM 4699 H HG22 . THR A 1 279 ? -12.778 6.183 -17.050 1.00 22.05 ? 269 THR A HG22 1 -ATOM 4700 H HG23 . THR A 1 279 ? -13.319 6.635 -15.638 1.00 22.05 ? 269 THR A HG23 1 -ATOM 4701 N N . ALA A 1 280 ? -9.550 7.633 -17.928 1.00 14.55 ? 270 ALA A N 1 -ATOM 4702 C CA . ALA A 1 280 ? -8.787 6.849 -18.891 1.00 15.65 ? 270 ALA A CA 1 -ATOM 4703 C C . ALA A 1 280 ? -7.552 6.229 -18.275 1.00 16.81 ? 270 ALA A C 1 -ATOM 4704 O O . ALA A 1 280 ? -7.164 5.137 -18.647 1.00 16.53 ? 270 ALA A O 1 -ATOM 4705 C CB . ALA A 1 280 ? -8.468 7.765 -20.079 1.00 15.62 ? 270 ALA A CB 1 -ATOM 4706 H H . ALA A 1 280 ? -9.574 8.477 -18.089 1.00 17.47 ? 270 ALA A H 1 -ATOM 4707 H HA . ALA A 1 280 ? -9.306 6.097 -19.217 1.00 18.78 ? 270 ALA A HA 1 -ATOM 4708 H HB1 . ALA A 1 280 ? -7.966 7.262 -20.740 1.00 18.74 ? 270 ALA A HB1 1 -ATOM 4709 H HB2 . ALA A 1 280 ? -9.299 8.082 -20.466 1.00 18.74 ? 270 ALA A HB2 1 -ATOM 4710 H HB3 . ALA A 1 280 ? -7.941 8.517 -19.766 1.00 18.74 ? 270 ALA A HB3 1 -ATOM 4711 N N . MET A 1 281 ? -6.944 6.887 -17.290 1.00 15.76 ? 271 MET A N 1 -ATOM 4712 C CA . MET A 1 281 ? -5.834 6.261 -16.569 1.00 15.39 ? 271 MET A CA 1 -ATOM 4713 C C . MET A 1 281 ? -6.272 5.049 -15.769 1.00 15.97 ? 271 MET A C 1 -ATOM 4714 O O . MET A 1 281 ? -5.547 4.048 -15.692 1.00 18.64 ? 271 MET A O 1 -ATOM 4715 C CB . MET A 1 281 ? -5.153 7.280 -15.638 1.00 15.63 ? 271 MET A CB 1 -ATOM 4716 C CG . MET A 1 281 ? -4.448 8.412 -16.331 1.00 17.55 ? 271 MET A CG 1 -ATOM 4717 S SD . MET A 1 281 ? -3.069 7.807 -17.359 1.00 16.67 ? 271 MET A SD 1 -ATOM 4718 C CE . MET A 1 281 ? -1.645 8.216 -16.337 1.00 16.30 ? 271 MET A CE 1 -ATOM 4719 H H . MET A 1 281 ? -7.149 7.679 -17.024 1.00 18.91 ? 271 MET A H 1 -ATOM 4720 H HA . MET A 1 281 ? -5.189 5.974 -17.234 1.00 18.47 ? 271 MET A HA 1 -ATOM 4721 H HB2 . MET A 1 281 ? -5.831 7.670 -15.063 1.00 18.75 ? 271 MET A HB2 1 -ATOM 4722 H HB3 . MET A 1 281 ? -4.493 6.813 -15.103 1.00 18.75 ? 271 MET A HB3 1 -ATOM 4723 H HG2 . MET A 1 281 ? -5.076 8.878 -16.905 1.00 21.07 ? 271 MET A HG2 1 -ATOM 4724 H HG3 . MET A 1 281 ? -4.090 9.022 -15.667 1.00 21.07 ? 271 MET A HG3 1 -ATOM 4725 H HE1 . MET A 1 281 ? -0.838 7.918 -16.785 1.00 19.56 ? 271 MET A HE1 1 -ATOM 4726 H HE2 . MET A 1 281 ? -1.616 9.176 -16.206 1.00 19.56 ? 271 MET A HE2 1 -ATOM 4727 H HE3 . MET A 1 281 ? -1.733 7.768 -15.480 1.00 19.56 ? 271 MET A HE3 1 -ATOM 4728 N N . GLY A 1 282 ? -7.483 5.109 -15.224 1.00 16.45 ? 272 GLY A N 1 -ATOM 4729 C CA . GLY A 1 282 ? -8.024 3.945 -14.527 1.00 17.01 ? 272 GLY A CA 1 -ATOM 4730 C C . GLY A 1 282 ? -8.476 2.835 -15.436 1.00 18.40 ? 272 GLY A C 1 -ATOM 4731 O O . GLY A 1 282 ? -8.555 1.675 -15.030 1.00 20.56 ? 272 GLY A O 1 -ATOM 4732 H H . GLY A 1 282 ? -8.001 5.795 -15.242 1.00 19.75 ? 272 GLY A H 1 -ATOM 4733 H HA2 . GLY A 1 282 ? -7.342 3.588 -13.937 1.00 20.41 ? 272 GLY A HA2 1 -ATOM 4734 H HA3 . GLY A 1 282 ? -8.787 4.224 -13.996 1.00 20.41 ? 272 GLY A HA3 1 -ATOM 4735 N N . THR A 1 283 ? -8.795 3.183 -16.676 1.00 17.17 ? 273 THR A N 1 -ATOM 4736 C CA . THR A 1 283 ? -9.219 2.190 -17.660 1.00 16.82 ? 273 THR A CA 1 -ATOM 4737 C C . THR A 1 283 ? -8.025 1.422 -18.183 1.00 19.02 ? 273 THR A C 1 -ATOM 4738 O O . THR A 1 283 ? -8.078 0.201 -18.341 1.00 21.40 ? 273 THR A O 1 -ATOM 4739 C CB . THR A 1 283 ? -9.925 2.910 -18.803 1.00 16.62 ? 273 THR A CB 1 -ATOM 4740 O OG1 . THR A 1 283 ? -11.087 3.569 -18.318 1.00 18.85 ? 273 THR A OG1 1 -ATOM 4741 C CG2 . THR A 1 283 ? -10.329 1.963 -19.891 1.00 18.97 ? 273 THR A CG2 1 -ATOM 4742 H H . THR A 1 283 ? -8.776 3.989 -16.976 1.00 20.61 ? 273 THR A H 1 -ATOM 4743 H HA . THR A 1 283 ? -9.837 1.558 -17.260 1.00 20.19 ? 273 THR A HA 1 -ATOM 4744 H HB . THR A 1 283 ? -9.308 3.557 -19.179 1.00 19.94 ? 273 THR A HB 1 -ATOM 4745 H HG1 . THR A 1 283 ? -10.872 4.148 -17.750 1.00 22.62 ? 273 THR A HG1 1 -ATOM 4746 H HG21 . THR A 1 283 ? -10.953 2.397 -20.494 1.00 22.76 ? 273 THR A HG21 1 -ATOM 4747 H HG22 . THR A 1 283 ? -9.549 1.683 -20.394 1.00 22.76 ? 273 THR A HG22 1 -ATOM 4748 H HG23 . THR A 1 283 ? -10.754 1.180 -19.508 1.00 22.76 ? 273 THR A HG23 1 -ATOM 4749 N N . ILE A 1 284 ? -6.925 2.108 -18.440 1.00 18.39 ? 274 ILE A N 1 -ATOM 4750 C CA . ILE A 1 284 ? -5.809 1.475 -19.127 1.00 19.59 ? 274 ILE A CA 1 -ATOM 4751 C C . ILE A 1 284 ? -5.020 0.531 -18.257 1.00 18.37 ? 274 ILE A C 1 -ATOM 4752 O O . ILE A 1 284 ? -4.469 -0.461 -18.754 1.00 21.77 ? 274 ILE A O 1 -ATOM 4753 C CB . ILE A 1 284 ? -4.920 2.544 -19.810 1.00 19.92 ? 274 ILE A CB 1 -ATOM 4754 C CG1 . ILE A 1 284 ? -3.993 1.922 -20.824 1.00 21.16 ? 274 ILE A CG1 1 -ATOM 4755 C CG2 . ILE A 1 284 ? -4.126 3.351 -18.818 1.00 19.22 ? 274 ILE A CG2 1 -ATOM 4756 C CD1 . ILE A 1 284 ? -3.238 2.961 -21.651 1.00 24.07 ? 274 ILE A CD1 1 -ATOM 4757 H H . ILE A 1 284 ? -6.797 2.932 -18.230 1.00 22.06 ? 274 ILE A H 1 -ATOM 4758 H HA . ILE A 1 284 ? -6.186 0.914 -19.822 1.00 23.51 ? 274 ILE A HA 1 -ATOM 4759 H HB . ILE A 1 284 ? -5.528 3.146 -20.266 1.00 23.91 ? 274 ILE A HB 1 -ATOM 4760 H HG12 . ILE A 1 284 ? -3.339 1.375 -20.360 1.00 25.40 ? 274 ILE A HG12 1 -ATOM 4761 H HG13 . ILE A 1 284 ? -4.512 1.374 -21.432 1.00 25.40 ? 274 ILE A HG13 1 -ATOM 4762 H HG21 . ILE A 1 284 ? -3.789 4.147 -19.257 1.00 23.06 ? 274 ILE A HG21 1 -ATOM 4763 H HG22 . ILE A 1 284 ? -4.703 3.599 -18.079 1.00 23.06 ? 274 ILE A HG22 1 -ATOM 4764 H HG23 . ILE A 1 284 ? -3.386 2.814 -18.494 1.00 23.06 ? 274 ILE A HG23 1 -ATOM 4765 H HD11 . ILE A 1 284 ? -2.759 2.511 -22.365 1.00 28.88 ? 274 ILE A HD11 1 -ATOM 4766 H HD12 . ILE A 1 284 ? -3.874 3.590 -22.026 1.00 28.88 ? 274 ILE A HD12 1 -ATOM 4767 H HD13 . ILE A 1 284 ? -2.611 3.428 -21.076 1.00 28.88 ? 274 ILE A HD13 1 -ATOM 4768 N N . VAL A 1 285 ? -4.880 0.779 -16.956 1.00 17.22 ? 275 VAL A N 1 -ATOM 4769 C CA . VAL A 1 285 ? -4.087 -0.030 -16.051 1.00 17.72 ? 275 VAL A CA 1 -ATOM 4770 C C . VAL A 1 285 ? -4.913 -0.220 -14.789 1.00 17.65 ? 275 VAL A C 1 -ATOM 4771 O O . VAL A 1 285 ? -5.488 0.773 -14.277 1.00 17.53 ? 275 VAL A O 1 -ATOM 4772 C CB . VAL A 1 285 ? -2.771 0.685 -15.701 1.00 18.41 ? 275 VAL A CB 1 -ATOM 4773 C CG1 . VAL A 1 285 ? -2.102 0.093 -14.477 1.00 25.10 ? 275 VAL A CG1 1 -ATOM 4774 C CG2 . VAL A 1 285 ? -1.830 0.615 -16.913 1.00 22.38 ? 275 VAL A CG2 1 -ATOM 4775 H H . VAL A 1 285 ? -5.255 1.444 -16.561 1.00 20.66 ? 275 VAL A H 1 -ATOM 4776 H HA . VAL A 1 285 ? -3.886 -0.888 -16.457 1.00 21.26 ? 275 VAL A HA 1 -ATOM 4777 H HB . VAL A 1 285 ? -2.969 1.610 -15.485 1.00 22.09 ? 275 VAL A HB 1 -ATOM 4778 H HG11 . VAL A 1 285 ? -1.174 0.374 -14.458 1.00 30.12 ? 275 VAL A HG11 1 -ATOM 4779 H HG12 . VAL A 1 285 ? -2.560 0.409 -13.682 1.00 30.12 ? 275 VAL A HG12 1 -ATOM 4780 H HG13 . VAL A 1 285 ? -2.153 -0.874 -14.526 1.00 30.12 ? 275 VAL A HG13 1 -ATOM 4781 H HG21 . VAL A 1 285 ? -1.016 1.101 -16.710 1.00 26.86 ? 275 VAL A HG21 1 -ATOM 4782 H HG22 . VAL A 1 285 ? -1.622 -0.314 -17.099 1.00 26.86 ? 275 VAL A HG22 1 -ATOM 4783 H HG23 . VAL A 1 285 ? -2.271 1.014 -17.679 1.00 26.86 ? 275 VAL A HG23 1 -ATOM 4784 N N . PRO A 1 286 ? -4.981 -1.429 -14.225 1.00 16.97 ? 276 PRO A N 1 -ATOM 4785 C CA . PRO A 1 286 ? -5.651 -1.585 -12.928 1.00 18.17 ? 276 PRO A CA 1 -ATOM 4786 C C . PRO A 1 286 ? -4.927 -0.816 -11.844 1.00 19.02 ? 276 PRO A C 1 -ATOM 4787 O O . PRO A 1 286 ? -3.734 -0.981 -11.665 1.00 23.02 ? 276 PRO A O 1 -ATOM 4788 C CB . PRO A 1 286 ? -5.608 -3.107 -12.683 1.00 21.38 ? 276 PRO A CB 1 -ATOM 4789 C CG . PRO A 1 286 ? -5.284 -3.711 -13.989 1.00 24.09 ? 276 PRO A CG 1 -ATOM 4790 C CD . PRO A 1 286 ? -4.459 -2.724 -14.731 1.00 18.15 ? 276 PRO A CD 1 -ATOM 4791 H HA . PRO A 1 286 ? -6.573 -1.290 -12.980 1.00 21.80 ? 276 PRO A HA 1 -ATOM 4792 H HB2 . PRO A 1 286 ? -4.923 -3.314 -12.028 1.00 25.66 ? 276 PRO A HB2 1 -ATOM 4793 H HB3 . PRO A 1 286 ? -6.472 -3.412 -12.366 1.00 25.66 ? 276 PRO A HB3 1 -ATOM 4794 H HG2 . PRO A 1 286 ? -4.788 -4.533 -13.850 1.00 28.91 ? 276 PRO A HG2 1 -ATOM 4795 H HG3 . PRO A 1 286 ? -6.105 -3.897 -14.471 1.00 28.91 ? 276 PRO A HG3 1 -ATOM 4796 H HD2 . PRO A 1 286 ? -3.518 -2.827 -14.519 1.00 21.78 ? 276 PRO A HD2 1 -ATOM 4797 H HD3 . PRO A 1 286 ? -4.595 -2.805 -15.688 1.00 21.78 ? 276 PRO A HD3 1 -ATOM 4798 N N . GLY A 1 287 ? -5.652 0.048 -11.162 1.00 17.95 ? 277 GLY A N 1 -ATOM 4799 C CA . GLY A 1 287 ? -5.012 0.923 -10.206 1.00 18.93 ? 277 GLY A CA 1 -ATOM 4800 C C . GLY A 1 287 ? -4.386 2.160 -10.800 1.00 15.41 ? 277 GLY A C 1 -ATOM 4801 O O . GLY A 1 287 ? -3.592 2.852 -10.158 1.00 17.62 ? 277 GLY A O 1 -ATOM 4802 H H . GLY A 1 287 ? -6.504 0.145 -11.233 1.00 21.54 ? 277 GLY A H 1 -ATOM 4803 H HA2 . GLY A 1 287 ? -5.673 1.209 -9.556 1.00 22.72 ? 277 GLY A HA2 1 -ATOM 4804 H HA3 . GLY A 1 287 ? -4.314 0.428 -9.751 1.00 22.72 ? 277 GLY A HA3 1 -ATOM 4805 N N . GLY A 1 288 ? -4.659 2.458 -12.065 1.00 15.63 ? 278 GLY A N 1 -ATOM 4806 C CA . GLY A 1 288 ? -4.020 3.559 -12.740 1.00 16.22 ? 278 GLY A CA 1 -ATOM 4807 C C . GLY A 1 288 ? -4.262 4.906 -12.096 1.00 14.21 ? 278 GLY A C 1 -ATOM 4808 O O . GLY A 1 288 ? -3.377 5.749 -12.110 1.00 13.68 ? 278 GLY A O 1 -ATOM 4809 H H . GLY A 1 288 ? -5.219 2.029 -12.556 1.00 18.76 ? 278 GLY A H 1 -ATOM 4810 H HA2 . GLY A 1 288 ? -3.062 3.405 -12.756 1.00 19.46 ? 278 GLY A HA2 1 -ATOM 4811 H HA3 . GLY A 1 288 ? -4.348 3.602 -13.652 1.00 19.46 ? 278 GLY A HA3 1 -ATOM 4812 N N . ARG A 1 289 ? -5.482 5.131 -11.585 1.00 14.48 ? 279 ARG A N 1 -ATOM 4813 C CA A ARG A 1 289 ? -5.746 6.421 -10.943 0.57 14.11 ? 279 ARG A CA 1 -ATOM 4814 C CA B ARG A 1 289 ? -5.740 6.420 -10.944 0.43 14.27 ? 279 ARG A CA 1 -ATOM 4815 C C . ARG A 1 289 ? -4.972 6.562 -9.641 1.00 14.43 ? 279 ARG A C 1 -ATOM 4816 O O . ARG A 1 289 ? -4.432 7.636 -9.374 1.00 15.23 ? 279 ARG A O 1 -ATOM 4817 C CB A ARG A 1 289 ? -7.232 6.643 -10.706 0.57 14.24 ? 279 ARG A CB 1 -ATOM 4818 C CB B ARG A 1 289 ? -7.223 6.630 -10.715 0.43 14.34 ? 279 ARG A CB 1 -ATOM 4819 C CG A ARG A 1 289 ? -8.029 6.699 -12.008 0.57 16.03 ? 279 ARG A CG 1 -ATOM 4820 C CG B ARG A 1 289 ? -7.964 6.825 -12.021 0.43 16.28 ? 279 ARG A CG 1 -ATOM 4821 C CD A ARG A 1 289 ? -9.373 7.418 -11.878 0.57 23.42 ? 279 ARG A CD 1 -ATOM 4822 C CD B ARG A 1 289 ? -9.471 6.736 -11.847 0.43 15.10 ? 279 ARG A CD 1 -ATOM 4823 N NE A ARG A 1 289 ? -10.310 6.602 -11.128 0.57 23.58 ? 279 ARG A NE 1 -ATOM 4824 N NE B ARG A 1 289 ? -9.882 5.459 -11.288 0.43 18.37 ? 279 ARG A NE 1 -ATOM 4825 C CZ A ARG A 1 289 ? -11.620 6.844 -11.048 0.57 44.84 ? 279 ARG A CZ 1 -ATOM 4826 C CZ B ARG A 1 289 ? -11.122 5.174 -10.918 0.43 45.85 ? 279 ARG A CZ 1 -ATOM 4827 N NH1 A ARG A 1 289 ? -12.198 7.892 -11.688 0.57 20.62 ? 279 ARG A NH1 1 -ATOM 4828 N NH1 B ARG A 1 289 ? -12.067 6.097 -11.035 0.43 43.16 ? 279 ARG A NH1 1 -ATOM 4829 N NH2 A ARG A 1 289 ? -12.345 6.003 -10.326 0.57 26.12 ? 279 ARG A NH2 1 -ATOM 4830 N NH2 B ARG A 1 289 ? -11.403 3.974 -10.421 0.43 44.27 ? 279 ARG A NH2 1 -ATOM 4831 H H A ARG A 1 289 ? -6.141 4.579 -11.598 0.57 17.38 ? 279 ARG A H 1 -ATOM 4832 H H B ARG A 1 289 ? -6.142 4.580 -11.597 0.43 17.38 ? 279 ARG A H 1 -ATOM 4833 H HA A ARG A 1 289 ? -5.454 7.115 -11.554 0.57 16.93 ? 279 ARG A HA 1 -ATOM 4834 H HA B ARG A 1 289 ? -5.440 7.117 -11.548 0.43 17.12 ? 279 ARG A HA 1 -ATOM 4835 H HB2 A ARG A 1 289 ? -7.580 5.912 -10.171 0.57 17.09 ? 279 ARG A HB2 1 -ATOM 4836 H HB2 B ARG A 1 289 ? -7.591 5.853 -10.268 0.43 17.21 ? 279 ARG A HB2 1 -ATOM 4837 H HB3 A ARG A 1 289 ? -7.357 7.484 -10.240 0.57 17.09 ? 279 ARG A HB3 1 -ATOM 4838 H HB3 B ARG A 1 289 ? -7.354 7.421 -10.169 0.43 17.21 ? 279 ARG A HB3 1 -ATOM 4839 H HG2 A ARG A 1 289 ? -7.506 7.170 -12.675 0.57 19.23 ? 279 ARG A HG2 1 -ATOM 4840 H HG2 B ARG A 1 289 ? -7.754 7.702 -12.379 0.43 19.54 ? 279 ARG A HG2 1 -ATOM 4841 H HG3 A ARG A 1 289 ? -8.207 5.793 -12.305 0.57 19.23 ? 279 ARG A HG3 1 -ATOM 4842 H HG3 B ARG A 1 289 ? -7.692 6.137 -12.648 0.43 19.54 ? 279 ARG A HG3 1 -ATOM 4843 H HD2 A ARG A 1 289 ? -9.249 8.258 -11.409 0.57 28.10 ? 279 ARG A HD2 1 -ATOM 4844 H HD2 B ARG A 1 289 ? -9.764 7.438 -11.245 0.43 18.12 ? 279 ARG A HD2 1 -ATOM 4845 H HD3 A ARG A 1 289 ? -9.741 7.582 -12.760 0.57 28.10 ? 279 ARG A HD3 1 -ATOM 4846 H HD3 B ARG A 1 289 ? -9.898 6.840 -12.711 0.43 18.12 ? 279 ARG A HD3 1 -ATOM 4847 H HE A ARG A 1 289 ? -10.001 5.917 -10.708 0.57 28.30 ? 279 ARG A HE 1 -ATOM 4848 H HE B ARG A 1 289 ? -9.283 4.850 -11.193 0.43 22.05 ? 279 ARG A HE 1 -ATOM 4849 H HH11 A ARG A 1 289 ? -11.718 8.423 -12.163 0.57 24.74 ? 279 ARG A HH11 1 -ATOM 4850 H HH11 B ARG A 1 289 ? -11.874 6.873 -11.350 0.43 51.79 ? 279 ARG A HH11 1 -ATOM 4851 H HH12 A ARG A 1 289 ? -13.045 8.024 -11.618 0.57 24.74 ? 279 ARG A HH12 1 -ATOM 4852 H HH12 B ARG A 1 289 ? -12.874 5.918 -10.796 0.43 51.79 ? 279 ARG A HH12 1 -ATOM 4853 H HH21 A ARG A 1 289 ? -11.967 5.337 -9.935 0.57 31.34 ? 279 ARG A HH21 1 -ATOM 4854 H HH21 B ARG A 1 289 ? -10.782 3.384 -10.342 0.43 53.12 ? 279 ARG A HH21 1 -ATOM 4855 H HH22 A ARG A 1 289 ? -13.193 6.123 -10.248 0.57 31.34 ? 279 ARG A HH22 1 -ATOM 4856 H HH22 B ARG A 1 289 ? -12.207 3.786 -10.180 0.43 53.12 ? 279 ARG A HH22 1 -ATOM 4857 N N . GLU A 1 290 ? -4.871 5.486 -8.856 1.00 14.78 ? 280 GLU A N 1 -ATOM 4858 C CA . GLU A 1 290 ? -4.111 5.522 -7.613 1.00 14.08 ? 280 GLU A CA 1 -ATOM 4859 C C . GLU A 1 290 ? -2.667 5.828 -7.892 1.00 15.54 ? 280 GLU A C 1 -ATOM 4860 O O . GLU A 1 290 ? -2.045 6.616 -7.184 1.00 16.11 ? 280 GLU A O 1 -ATOM 4861 C CB . GLU A 1 290 ? -4.247 4.158 -6.967 1.00 16.99 ? 280 GLU A CB 1 -ATOM 4862 C CG . GLU A 1 290 ? -5.625 3.863 -6.447 1.00 20.60 ? 280 GLU A CG 1 -ATOM 4863 C CD . GLU A 1 290 ? -6.556 3.107 -7.415 1.00 31.79 ? 280 GLU A CD 1 -ATOM 4864 O OE1 . GLU A 1 290 ? -6.497 3.265 -8.668 1.00 21.47 ? 280 GLU A OE1 1 -ATOM 4865 O OE2 . GLU A 1 290 ? -7.387 2.336 -6.898 1.00 25.41 ? 280 GLU A OE2 1 -ATOM 4866 H H . GLU A 1 290 ? -5.234 4.724 -9.023 1.00 17.74 ? 280 GLU A H 1 -ATOM 4867 H HA . GLU A 1 290 ? -4.448 6.206 -7.014 1.00 16.89 ? 280 GLU A HA 1 -ATOM 4868 H HB2 . GLU A 1 290 ? -4.029 3.479 -7.625 1.00 20.39 ? 280 GLU A HB2 1 -ATOM 4869 H HB3 . GLU A 1 290 ? -3.632 4.105 -6.220 1.00 20.39 ? 280 GLU A HB3 1 -ATOM 4870 H HG2 . GLU A 1 290 ? -5.539 3.321 -5.647 1.00 24.72 ? 280 GLU A HG2 1 -ATOM 4871 H HG3 . GLU A 1 290 ? -6.056 4.705 -6.232 1.00 24.72 ? 280 GLU A HG3 1 -ATOM 4872 N N . ILE A 1 291 ? -2.093 5.211 -8.931 1.00 15.11 ? 281 ILE A N 1 -ATOM 4873 C CA . ILE A 1 291 ? -0.709 5.482 -9.299 1.00 15.53 ? 281 ILE A CA 1 -ATOM 4874 C C . ILE A 1 291 ? -0.566 6.951 -9.680 1.00 15.29 ? 281 ILE A C 1 -ATOM 4875 O O . ILE A 1 291 ? 0.371 7.640 -9.284 1.00 15.04 ? 281 ILE A O 1 -ATOM 4876 C CB . ILE A 1 291 ? -0.285 4.547 -10.457 1.00 15.51 ? 281 ILE A CB 1 -ATOM 4877 C CG1 . ILE A 1 291 ? -0.239 3.087 -10.016 1.00 17.95 ? 281 ILE A CG1 1 -ATOM 4878 C CG2 . ILE A 1 291 ? 1.082 4.937 -10.971 1.00 17.98 ? 281 ILE A CG2 1 -ATOM 4879 C CD1 . ILE A 1 291 ? -0.096 2.099 -11.199 1.00 21.35 ? 281 ILE A CD1 1 -ATOM 4880 H H . ILE A 1 291 ? -2.486 4.634 -9.434 1.00 18.14 ? 281 ILE A H 1 -ATOM 4881 H HA . ILE A 1 291 ? -0.128 5.306 -8.542 1.00 18.64 ? 281 ILE A HA 1 -ATOM 4882 H HB . ILE A 1 291 ? -0.951 4.644 -11.155 1.00 18.61 ? 281 ILE A HB 1 -ATOM 4883 H HG12 . ILE A 1 291 ? 0.521 2.960 -9.427 1.00 21.54 ? 281 ILE A HG12 1 -ATOM 4884 H HG13 . ILE A 1 291 ? -1.061 2.874 -9.548 1.00 21.54 ? 281 ILE A HG13 1 -ATOM 4885 H HG21 . ILE A 1 291 ? 1.393 4.256 -11.588 1.00 21.57 ? 281 ILE A HG21 1 -ATOM 4886 H HG22 . ILE A 1 291 ? 1.017 5.791 -11.426 1.00 21.57 ? 281 ILE A HG22 1 -ATOM 4887 H HG23 . ILE A 1 291 ? 1.694 5.007 -10.221 1.00 21.57 ? 281 ILE A HG23 1 -ATOM 4888 H HD11 . ILE A 1 291 ? -0.294 1.202 -10.887 1.00 25.63 ? 281 ILE A HD11 1 -ATOM 4889 H HD12 . ILE A 1 291 ? -0.719 2.351 -11.898 1.00 25.63 ? 281 ILE A HD12 1 -ATOM 4890 H HD13 . ILE A 1 291 ? 0.813 2.139 -11.536 1.00 25.63 ? 281 ILE A HD13 1 -ATOM 4891 N N . THR A 1 292 ? -1.505 7.456 -10.483 1.00 13.87 ? 282 THR A N 1 -ATOM 4892 C CA . THR A 1 292 ? -1.405 8.824 -10.976 1.00 14.02 ? 282 THR A CA 1 -ATOM 4893 C C . THR A 1 292 ? -1.496 9.821 -9.828 1.00 13.45 ? 282 THR A C 1 -ATOM 4894 O O . THR A 1 292 ? -0.802 10.850 -9.833 1.00 14.58 ? 282 THR A O 1 -ATOM 4895 C CB . THR A 1 292 ? -2.516 9.076 -12.000 1.00 12.56 ? 282 THR A CB 1 -ATOM 4896 O OG1 . THR A 1 292 ? -2.394 8.110 -13.079 1.00 13.87 ? 282 THR A OG1 1 -ATOM 4897 C CG2 . THR A 1 292 ? -2.366 10.401 -12.662 1.00 13.54 ? 282 THR A CG2 1 -ATOM 4898 H H . THR A 1 292 ? -2.201 7.030 -10.753 1.00 16.65 ? 282 THR A H 1 -ATOM 4899 H HA . THR A 1 292 ? -0.553 8.954 -11.421 1.00 16.82 ? 282 THR A HA 1 -ATOM 4900 H HB . THR A 1 292 ? -3.364 9.023 -11.532 1.00 15.07 ? 282 THR A HB 1 -ATOM 4901 H HG1 . THR A 1 292 ? -2.497 7.331 -12.780 1.00 16.64 ? 282 THR A HG1 1 -ATOM 4902 H HG21 . THR A 1 292 ? -3.024 10.495 -13.369 1.00 16.25 ? 282 THR A HG21 1 -ATOM 4903 H HG22 . THR A 1 292 ? -2.494 11.112 -12.015 1.00 16.25 ? 282 THR A HG22 1 -ATOM 4904 H HG23 . THR A 1 292 ? -1.478 10.481 -13.046 1.00 16.25 ? 282 THR A HG23 1 -ATOM 4905 N N . LEU A 1 293 ? -2.291 9.510 -8.797 1.00 13.85 ? 283 LEU A N 1 -ATOM 4906 C CA . LEU A 1 293 ? -2.374 10.374 -7.605 1.00 13.32 ? 283 LEU A CA 1 -ATOM 4907 C C . LEU A 1 293 ? -1.068 10.396 -6.820 1.00 14.70 ? 283 LEU A C 1 -ATOM 4908 O O . LEU A 1 293 ? -0.886 11.301 -6.004 1.00 14.77 ? 283 LEU A O 1 -ATOM 4909 C CB . LEU A 1 293 ? -3.530 9.902 -6.729 1.00 14.68 ? 283 LEU A CB 1 -ATOM 4910 C CG . LEU A 1 293 ? -4.913 10.237 -7.259 1.00 14.00 ? 283 LEU A CG 1 -ATOM 4911 C CD1 . LEU A 1 293 ? -5.984 9.473 -6.494 1.00 16.11 ? 283 LEU A CD1 1 -ATOM 4912 C CD2 . LEU A 1 293 ? -5.183 11.727 -7.197 1.00 15.45 ? 283 LEU A CD2 1 -ATOM 4913 H H . LEU A 1 293 ? -2.791 8.812 -8.760 1.00 16.62 ? 283 LEU A H 1 -ATOM 4914 H HA . LEU A 1 293 ? -2.556 11.289 -7.873 1.00 15.99 ? 283 LEU A HA 1 -ATOM 4915 H HB2 . LEU A 1 293 ? -3.476 8.937 -6.645 1.00 17.62 ? 283 LEU A HB2 1 -ATOM 4916 H HB3 . LEU A 1 293 ? -3.443 10.317 -5.857 1.00 17.62 ? 283 LEU A HB3 1 -ATOM 4917 H HG . LEU A 1 293 ? -4.953 9.970 -8.190 1.00 16.81 ? 283 LEU A HG 1 -ATOM 4918 H HD11 . LEU A 1 293 ? -6.855 9.704 -6.854 1.00 19.34 ? 283 LEU A HD11 1 -ATOM 4919 H HD12 . LEU A 1 293 ? -5.826 8.521 -6.597 1.00 19.34 ? 283 LEU A HD12 1 -ATOM 4920 H HD13 . LEU A 1 293 ? -5.938 9.717 -5.557 1.00 19.34 ? 283 LEU A HD13 1 -ATOM 4921 H HD21 . LEU A 1 293 ? -6.116 11.888 -7.410 1.00 18.54 ? 283 LEU A HD21 1 -ATOM 4922 H HD22 . LEU A 1 293 ? -4.989 12.046 -6.301 1.00 18.54 ? 283 LEU A HD22 1 -ATOM 4923 H HD23 . LEU A 1 293 ? -4.614 12.178 -7.839 1.00 18.54 ? 283 LEU A HD23 1 -ATOM 4924 N N . ARG A 1 294 ? -0.166 9.476 -7.048 1.00 15.13 ? 284 ARG A N 1 -ATOM 4925 C CA . ARG A 1 294 ? 1.154 9.482 -6.425 1.00 15.84 ? 284 ARG A CA 1 -ATOM 4926 C C . ARG A 1 294 ? 2.211 10.103 -7.322 1.00 16.52 ? 284 ARG A C 1 -ATOM 4927 O O . ARG A 1 294 ? 3.374 10.200 -6.929 1.00 17.84 ? 284 ARG A O 1 -ATOM 4928 C CB . ARG A 1 294 ? 1.574 8.049 -6.068 1.00 17.48 ? 284 ARG A CB 1 -ATOM 4929 C CG . ARG A 1 294 ? 0.662 7.414 -4.986 1.00 19.14 ? 284 ARG A CG 1 -ATOM 4930 C CD . ARG A 1 294 ? 1.307 6.078 -4.463 1.00 30.02 ? 284 ARG A CD 1 -ATOM 4931 N NE . ARG A 1 294 ? 2.318 6.354 -3.438 1.00 73.18 ? 284 ARG A NE 1 -ATOM 4932 C CZ . ARG A 1 294 ? 3.384 5.599 -3.175 1.00 89.92 ? 284 ARG A CZ 1 -ATOM 4933 N NH1 . ARG A 1 294 ? 3.628 4.485 -3.855 1.00 51.61 ? 284 ARG A NH1 1 -ATOM 4934 N NH2 . ARG A 1 294 ? 4.225 5.971 -2.219 1.00 100.72 ? 284 ARG A NH2 1 -ATOM 4935 H H . ARG A 1 294 ? -0.289 8.810 -7.578 1.00 18.15 ? 284 ARG A H 1 -ATOM 4936 H HA . ARG A 1 294 ? 1.110 9.995 -5.603 1.00 19.00 ? 284 ARG A HA 1 -ATOM 4937 H HB2 . ARG A 1 294 ? 1.526 7.498 -6.865 1.00 20.98 ? 284 ARG A HB2 1 -ATOM 4938 H HB3 . ARG A 1 294 ? 2.482 8.062 -5.728 1.00 20.98 ? 284 ARG A HB3 1 -ATOM 4939 H HG2 . ARG A 1 294 ? 0.564 8.026 -4.240 1.00 22.97 ? 284 ARG A HG2 1 -ATOM 4940 H HG3 . ARG A 1 294 ? -0.207 7.213 -5.367 1.00 22.97 ? 284 ARG A HG3 1 -ATOM 4941 H HD2 . ARG A 1 294 ? 0.619 5.517 -4.073 1.00 36.02 ? 284 ARG A HD2 1 -ATOM 4942 H HD3 . ARG A 1 294 ? 1.735 5.614 -5.200 1.00 36.02 ? 284 ARG A HD3 1 -ATOM 4943 H HE . ARG A 1 294 ? 2.214 7.066 -2.966 1.00 87.81 ? 284 ARG A HE 1 -ATOM 4944 H HH11 . ARG A 1 294 ? 3.093 4.238 -4.481 1.00 61.93 ? 284 ARG A HH11 1 -ATOM 4945 H HH12 . ARG A 1 294 ? 4.321 4.011 -3.670 1.00 61.93 ? 284 ARG A HH12 1 -ATOM 4946 H HH21 . ARG A 1 294 ? 4.081 6.694 -1.776 1.00 120.86 ? 284 ARG A HH21 1 -ATOM 4947 H HH22 . ARG A 1 294 ? 4.916 5.489 -2.042 1.00 120.86 ? 284 ARG A HH22 1 -ATOM 4948 N N . CYS A 1 295 ? 1.828 10.621 -8.483 1.00 15.32 ? 285 CYS A N 1 -ATOM 4949 C CA . CYS A 1 295 ? 2.774 11.147 -9.477 1.00 16.00 ? 285 CYS A CA 1 -ATOM 4950 C C . CYS A 1 295 ? 2.398 12.565 -9.853 1.00 15.85 ? 285 CYS A C 1 -ATOM 4951 O O . CYS A 1 295 ? 2.790 13.060 -10.916 1.00 16.11 ? 285 CYS A O 1 -ATOM 4952 C CB . CYS A 1 295 ? 2.801 10.294 -10.732 1.00 16.46 ? 285 CYS A CB 1 -ATOM 4953 S SG . CYS A 1 295 ? 3.377 8.621 -10.485 1.00 18.77 ? 285 CYS A SG 1 -ATOM 4954 H H . CYS A 1 295 ? 1.007 10.685 -8.730 1.00 18.39 ? 285 CYS A H 1 -ATOM 4955 H HA . CYS A 1 295 ? 3.666 11.130 -9.095 1.00 19.20 ? 285 CYS A HA 1 -ATOM 4956 H HB2 . CYS A 1 295 ? 1.901 10.244 -11.090 1.00 19.75 ? 285 CYS A HB2 1 -ATOM 4957 H HB3 . CYS A 1 295 ? 3.391 10.715 -11.377 1.00 19.75 ? 285 CYS A HB3 1 -ATOM 4958 H HG . CYS A 1 295 ? 3.561 8.109 -11.554 1.00 22.52 ? 285 CYS A HG 1 -ATOM 4959 N N . GLY A 1 296 ? 1.626 13.246 -9.021 1.00 15.10 ? 286 GLY A N 1 -ATOM 4960 C CA . GLY A 1 296 ? 1.323 14.655 -9.189 1.00 15.63 ? 286 GLY A CA 1 -ATOM 4961 C C . GLY A 1 296 ? -0.133 15.012 -9.244 1.00 14.19 ? 286 GLY A C 1 -ATOM 4962 O O . GLY A 1 296 ? -0.457 16.189 -9.111 1.00 14.12 ? 286 GLY A O 1 -ATOM 4963 H H . GLY A 1 296 ? 1.254 12.900 -8.327 1.00 18.12 ? 286 GLY A H 1 -ATOM 4964 H HA2 . GLY A 1 296 ? 1.714 15.142 -8.447 1.00 18.76 ? 286 GLY A HA2 1 -ATOM 4965 H HA3 . GLY A 1 296 ? 1.729 14.959 -10.016 1.00 18.76 ? 286 GLY A HA3 1 -ATOM 4966 N N . ALA A 1 297 ? -1.062 14.073 -9.445 1.00 13.32 ? 287 ALA A N 1 -ATOM 4967 C CA . ALA A 1 297 ? -2.472 14.420 -9.489 1.00 13.40 ? 287 ALA A CA 1 -ATOM 4968 C C . ALA A 1 297 ? -3.037 14.620 -8.084 1.00 13.87 ? 287 ALA A C 1 -ATOM 4969 O O . ALA A 1 297 ? -2.491 14.120 -7.090 1.00 14.37 ? 287 ALA A O 1 -ATOM 4970 C CB . ALA A 1 297 ? -3.264 13.333 -10.202 1.00 13.44 ? 287 ALA A CB 1 -ATOM 4971 H H . ALA A 1 297 ? -0.897 13.237 -9.557 1.00 15.98 ? 287 ALA A H 1 -ATOM 4972 H HA . ALA A 1 297 ? -2.573 15.253 -9.977 1.00 16.08 ? 287 ALA A HA 1 -ATOM 4973 H HB1 . ALA A 1 297 ? -4.204 13.572 -10.197 1.00 16.12 ? 287 ALA A HB1 1 -ATOM 4974 H HB2 . ALA A 1 297 ? -2.946 13.258 -11.116 1.00 16.12 ? 287 ALA A HB2 1 -ATOM 4975 H HB3 . ALA A 1 297 ? -3.134 12.491 -9.737 1.00 16.12 ? 287 ALA A HB3 1 -ATOM 4976 N N . ASN A 1 298 ? -4.139 15.383 -8.017 1.00 12.67 ? 288 ASN A N 1 -ATOM 4977 C CA . ASN A 1 298 ? -4.753 15.739 -6.733 1.00 13.15 ? 288 ASN A CA 1 -ATOM 4978 C C . ASN A 1 298 ? -6.263 15.775 -6.810 1.00 13.06 ? 288 ASN A C 1 -ATOM 4979 O O . ASN A 1 298 ? -6.900 16.275 -5.851 1.00 14.08 ? 288 ASN A O 1 -ATOM 4980 C CB . ASN A 1 298 ? -4.226 17.094 -6.213 1.00 13.47 ? 288 ASN A CB 1 -ATOM 4981 C CG . ASN A 1 298 ? -4.728 18.271 -7.012 1.00 13.36 ? 288 ASN A CG 1 -ATOM 4982 O OD1 . ASN A 1 298 ? -4.674 18.228 -8.265 1.00 13.42 ? 288 ASN A OD1 1 -ATOM 4983 N ND2 . ASN A 1 298 ? -5.238 19.314 -6.390 1.00 14.77 ? 288 ASN A ND2 1 -ATOM 4984 H H . ASN A 1 298 ? -4.548 15.706 -8.701 1.00 15.20 ? 288 ASN A H 1 -ATOM 4985 H HA . ASN A 1 298 ? -4.503 15.067 -6.080 1.00 15.78 ? 288 ASN A HA 1 -ATOM 4986 H HB2 . ASN A 1 298 ? -4.514 17.213 -5.294 1.00 16.16 ? 288 ASN A HB2 1 -ATOM 4987 H HB3 . ASN A 1 298 ? -3.257 17.094 -6.259 1.00 16.16 ? 288 ASN A HB3 1 -ATOM 4988 H HD21 . ASN A 1 298 ? -5.525 19.987 -6.842 1.00 17.73 ? 288 ASN A HD21 1 -ATOM 4989 H HD22 . ASN A 1 298 ? -5.283 19.322 -5.531 1.00 17.73 ? 288 ASN A HD22 1 -ATOM 4990 N N . VAL A 1 299 ? -6.871 15.274 -7.876 1.00 12.86 ? 289 VAL A N 1 -ATOM 4991 C CA . VAL A 1 299 ? -8.310 15.317 -8.095 1.00 13.08 ? 289 VAL A CA 1 -ATOM 4992 C C . VAL A 1 299 ? -8.740 13.965 -8.621 1.00 13.06 ? 289 VAL A C 1 -ATOM 4993 O O . VAL A 1 299 ? -7.991 13.300 -9.349 1.00 13.05 ? 289 VAL A O 1 -ATOM 4994 C CB . VAL A 1 299 ? -8.661 16.443 -9.112 1.00 13.88 ? 289 VAL A CB 1 -ATOM 4995 C CG1 . VAL A 1 299 ? -10.117 16.369 -9.581 1.00 15.36 ? 289 VAL A CG1 1 -ATOM 4996 C CG2 . VAL A 1 299 ? -8.300 17.794 -8.545 1.00 16.01 ? 289 VAL A CG2 1 -ATOM 4997 H H . VAL A 1 299 ? -6.452 14.885 -8.518 1.00 15.44 ? 289 VAL A H 1 -ATOM 4998 H HA . VAL A 1 299 ? -8.784 15.482 -7.264 1.00 15.70 ? 289 VAL A HA 1 -ATOM 4999 H HB . VAL A 1 299 ? -8.128 16.312 -9.912 1.00 16.65 ? 289 VAL A HB 1 -ATOM 5000 H HG11 . VAL A 1 299 ? -10.338 17.187 -10.053 1.00 18.43 ? 289 VAL A HG11 1 -ATOM 5001 H HG12 . VAL A 1 299 ? -10.221 15.607 -10.172 1.00 18.43 ? 289 VAL A HG12 1 -ATOM 5002 H HG13 . VAL A 1 299 ? -10.693 16.268 -8.807 1.00 18.43 ? 289 VAL A HG13 1 -ATOM 5003 H HG21 . VAL A 1 299 ? -8.548 18.481 -9.183 1.00 19.21 ? 289 VAL A HG21 1 -ATOM 5004 H HG22 . VAL A 1 299 ? -8.782 17.926 -7.713 1.00 19.21 ? 289 VAL A HG22 1 -ATOM 5005 H HG23 . VAL A 1 299 ? -7.345 17.823 -8.382 1.00 19.21 ? 289 VAL A HG23 1 -ATOM 5006 N N . ILE A 1 300 ? -9.931 13.535 -8.267 1.00 12.89 ? 290 ILE A N 1 -ATOM 5007 C CA . ILE A 1 300 ? -10.540 12.318 -8.827 1.00 14.42 ? 290 ILE A CA 1 -ATOM 5008 C C . ILE A 1 300 ? -11.982 12.641 -9.162 1.00 13.75 ? 290 ILE A C 1 -ATOM 5009 O O . ILE A 1 300 ? -12.645 13.441 -8.492 1.00 14.50 ? 290 ILE A O 1 -ATOM 5010 C CB . ILE A 1 300 ? -10.380 11.118 -7.871 1.00 16.13 ? 290 ILE A CB 1 -ATOM 5011 C CG1 . ILE A 1 300 ? -10.709 9.835 -8.632 1.00 21.15 ? 290 ILE A CG1 1 -ATOM 5012 C CG2 . ILE A 1 300 ? -11.193 11.294 -6.621 1.00 17.59 ? 290 ILE A CG2 1 -ATOM 5013 C CD1 . ILE A 1 300 ? -9.943 8.656 -8.217 1.00 27.33 ? 290 ILE A CD1 1 -ATOM 5014 H H . ILE A 1 300 ? -10.430 13.932 -7.690 1.00 15.47 ? 290 ILE A H 1 -ATOM 5015 H HA . ILE A 1 300 ? -10.108 12.061 -9.656 1.00 17.30 ? 290 ILE A HA 1 -ATOM 5016 H HB . ILE A 1 300 ? -9.460 11.060 -7.569 1.00 19.36 ? 290 ILE A HB 1 -ATOM 5017 H HG12 . ILE A 1 300 ? -11.649 9.632 -8.501 1.00 25.38 ? 290 ILE A HG12 1 -ATOM 5018 H HG13 . ILE A 1 300 ? -10.530 9.982 -9.574 1.00 25.38 ? 290 ILE A HG13 1 -ATOM 5019 H HG21 . ILE A 1 300 ? -10.957 10.595 -5.990 1.00 21.10 ? 290 ILE A HG21 1 -ATOM 5020 H HG22 . ILE A 1 300 ? -10.999 12.164 -6.239 1.00 21.10 ? 290 ILE A HG22 1 -ATOM 5021 H HG23 . ILE A 1 300 ? -12.134 11.233 -6.846 1.00 21.10 ? 290 ILE A HG23 1 -ATOM 5022 H HD11 . ILE A 1 300 ? -10.082 7.946 -8.863 1.00 32.79 ? 290 ILE A HD11 1 -ATOM 5023 H HD12 . ILE A 1 300 ? -9.002 8.889 -8.179 1.00 32.79 ? 290 ILE A HD12 1 -ATOM 5024 H HD13 . ILE A 1 300 ? -10.250 8.372 -7.342 1.00 32.79 ? 290 ILE A HD13 1 -ATOM 5025 N N . MET A 1 301 ? -12.454 12.078 -10.267 1.00 13.34 ? 291 MET A N 1 -ATOM 5026 C CA A MET A 1 301 ? -13.744 12.428 -10.854 0.79 14.28 ? 291 MET A CA 1 -ATOM 5027 C CA B MET A 1 301 ? -13.761 12.428 -10.810 0.21 16.11 ? 291 MET A CA 1 -ATOM 5028 C C . MET A 1 301 ? -14.576 11.170 -11.000 1.00 14.17 ? 291 MET A C 1 -ATOM 5029 O O . MET A 1 301 ? -14.690 10.632 -12.128 1.00 17.03 ? 291 MET A O 1 -ATOM 5030 C CB A MET A 1 301 ? -13.575 13.266 -12.141 0.79 13.76 ? 291 MET A CB 1 -ATOM 5031 C CB B MET A 1 301 ? -13.637 13.174 -12.132 0.21 15.72 ? 291 MET A CB 1 -ATOM 5032 C CG A MET A 1 301 ? -12.496 14.398 -12.056 0.79 12.48 ? 291 MET A CG 1 -ATOM 5033 C CG B MET A 1 301 ? -12.942 14.508 -12.074 0.21 28.52 ? 291 MET A CG 1 -ATOM 5034 S SD A MET A 1 301 ? -12.217 15.406 -13.589 0.79 16.62 ? 291 MET A SD 1 -ATOM 5035 S SD B MET A 1 301 ? -13.546 15.490 -13.424 0.21 16.35 ? 291 MET A SD 1 -ATOM 5036 C CE A MET A 1 301 ? -13.684 16.485 -13.493 0.79 20.22 ? 291 MET A CE 1 -ATOM 5037 C CE B MET A 1 301 ? -12.146 16.559 -13.809 0.21 26.81 ? 291 MET A CE 1 -ATOM 5038 H H A MET A 1 301 ? -12.032 11.473 -10.709 0.79 16.01 ? 291 MET A H 1 -ATOM 5039 H H B MET A 1 301 ? -12.031 11.485 -10.725 0.21 16.01 ? 291 MET A H 1 -ATOM 5040 H HA A MET A 1 301 ? -14.242 12.996 -10.246 0.79 17.13 ? 291 MET A HA 1 -ATOM 5041 H HA B MET A 1 301 ? -14.203 13.001 -10.164 0.21 19.33 ? 291 MET A HA 1 -ATOM 5042 H HB2 A MET A 1 301 ? -13.317 12.672 -12.863 0.79 16.52 ? 291 MET A HB2 1 -ATOM 5043 H HB2 B MET A 1 301 ? -13.136 12.617 -12.749 0.21 18.86 ? 291 MET A HB2 1 -ATOM 5044 H HB3 A MET A 1 301 ? -14.424 13.688 -12.345 0.79 16.52 ? 291 MET A HB3 1 -ATOM 5045 H HB3 B MET A 1 301 ? -14.530 13.331 -12.477 0.21 18.86 ? 291 MET A HB3 1 -ATOM 5046 H HG2 A MET A 1 301 ? -12.763 15.016 -11.357 0.79 14.97 ? 291 MET A HG2 1 -ATOM 5047 H HG2 B MET A 1 301 ? -13.143 14.955 -11.236 0.21 34.23 ? 291 MET A HG2 1 -ATOM 5048 H HG3 A MET A 1 301 ? -11.647 13.988 -11.830 0.79 14.97 ? 291 MET A HG3 1 -ATOM 5049 H HG3 B MET A 1 301 ? -11.983 14.391 -12.165 0.21 34.23 ? 291 MET A HG3 1 -ATOM 5050 H HE1 A MET A 1 301 ? -13.599 17.192 -14.152 0.79 24.27 ? 291 MET A HE1 1 -ATOM 5051 H HE1 B MET A 1 301 ? -12.322 17.022 -14.643 0.21 32.17 ? 291 MET A HE1 1 -ATOM 5052 H HE2 A MET A 1 301 ? -14.477 15.957 -13.674 0.79 24.27 ? 291 MET A HE2 1 -ATOM 5053 H HE2 B MET A 1 301 ? -12.032 17.201 -13.091 0.21 32.17 ? 291 MET A HE2 1 -ATOM 5054 H HE3 A MET A 1 301 ? -13.737 16.867 -12.603 0.79 24.27 ? 291 MET A HE3 1 -ATOM 5055 H HE3 B MET A 1 301 ? -11.347 16.015 -13.895 0.21 32.17 ? 291 MET A HE3 1 -ATOM 5056 N N . PRO A 1 302 ? -15.185 10.667 -9.944 1.00 15.01 ? 292 PRO A N 1 -ATOM 5057 C CA . PRO A 1 302 ? -15.982 9.456 -10.073 1.00 15.86 ? 292 PRO A CA 1 -ATOM 5058 C C . PRO A 1 302 ? -17.159 9.667 -11.004 1.00 14.73 ? 292 PRO A C 1 -ATOM 5059 O O . PRO A 1 302 ? -17.784 10.729 -11.032 1.00 16.22 ? 292 PRO A O 1 -ATOM 5060 C CB . PRO A 1 302 ? -16.440 9.184 -8.646 1.00 18.01 ? 292 PRO A CB 1 -ATOM 5061 C CG . PRO A 1 302 ? -16.474 10.512 -7.996 1.00 15.66 ? 292 PRO A CG 1 -ATOM 5062 C CD . PRO A 1 302 ? -15.295 11.231 -8.580 1.00 14.11 ? 292 PRO A CD 1 -ATOM 5063 H HA . PRO A 1 302 ? -15.440 8.717 -10.391 1.00 19.04 ? 292 PRO A HA 1 -ATOM 5064 H HB2 . PRO A 1 302 ? -17.321 8.778 -8.653 1.00 21.61 ? 292 PRO A HB2 1 -ATOM 5065 H HB3 . PRO A 1 302 ? -15.808 8.596 -8.203 1.00 21.61 ? 292 PRO A HB3 1 -ATOM 5066 H HG2 . PRO A 1 302 ? -17.303 10.967 -8.209 1.00 18.79 ? 292 PRO A HG2 1 -ATOM 5067 H HG3 . PRO A 1 302 ? -16.385 10.416 -7.035 1.00 18.79 ? 292 PRO A HG3 1 -ATOM 5068 H HD2 . PRO A 1 302 ? -15.457 12.186 -8.614 1.00 16.93 ? 292 PRO A HD2 1 -ATOM 5069 H HD3 . PRO A 1 302 ? -14.492 11.049 -8.067 1.00 16.93 ? 292 PRO A HD3 1 -ATOM 5070 N N A ASN A 1 303 ? -17.502 8.602 -11.731 0.56 16.61 ? 293 ASN A N 1 -ATOM 5071 N N B ASN A 1 303 ? -17.426 8.629 -11.778 0.44 13.76 ? 293 ASN A N 1 -ATOM 5072 C CA A ASN A 1 303 ? -18.610 8.647 -12.684 0.56 14.88 ? 293 ASN A CA 1 -ATOM 5073 C CA B ASN A 1 303 ? -18.596 8.635 -12.625 0.44 13.56 ? 293 ASN A CA 1 -ATOM 5074 C C A ASN A 1 303 ? -19.930 8.386 -11.967 0.56 13.98 ? 293 ASN A C 1 -ATOM 5075 C C B ASN A 1 303 ? -19.851 8.484 -11.779 0.44 13.59 ? 293 ASN A C 1 -ATOM 5076 O O A ASN A 1 303 ? -20.182 7.278 -11.461 0.56 14.74 ? 293 ASN A O 1 -ATOM 5077 O O B ASN A 1 303 ? -19.958 7.566 -10.962 0.44 14.63 ? 293 ASN A O 1 -ATOM 5078 C CB A ASN A 1 303 ? -18.372 7.607 -13.776 0.56 14.30 ? 293 ASN A CB 1 -ATOM 5079 C CB B ASN A 1 303 ? -18.508 7.482 -13.616 0.44 20.63 ? 293 ASN A CB 1 -ATOM 5080 C CG A ASN A 1 303 ? -19.485 7.557 -14.805 0.56 30.06 ? 293 ASN A CG 1 -ATOM 5081 C CG B ASN A 1 303 ? -19.538 7.596 -14.689 0.44 13.54 ? 293 ASN A CG 1 -ATOM 5082 O OD1 A ASN A 1 303 ? -20.399 8.396 -14.799 0.56 16.49 ? 293 ASN A OD1 1 -ATOM 5083 O OD1 B ASN A 1 303 ? -20.670 7.361 -14.457 0.44 14.55 ? 293 ASN A OD1 1 -ATOM 5084 N ND2 A ASN A 1 303 ? -19.394 6.572 -15.725 0.56 17.46 ? 293 ASN A ND2 1 -ATOM 5085 N ND2 B ASN A 1 303 ? -19.123 8.029 -15.851 0.44 23.14 ? 293 ASN A ND2 1 -ATOM 5086 H H A ASN A 1 303 ? -17.106 7.840 -11.690 0.56 19.93 ? 293 ASN A H 1 -ATOM 5087 H H B ASN A 1 303 ? -16.948 7.916 -11.828 0.44 16.51 ? 293 ASN A H 1 -ATOM 5088 H HA A ASN A 1 303 ? -18.661 9.532 -13.078 0.56 17.86 ? 293 ASN A HA 1 -ATOM 5089 H HA B ASN A 1 303 ? -18.648 9.472 -13.112 0.44 16.27 ? 293 ASN A HA 1 -ATOM 5090 H HB2 A ASN A 1 303 ? -17.547 7.821 -14.239 0.56 17.16 ? 293 ASN A HB2 1 -ATOM 5091 H HB2 B ASN A 1 303 ? -17.632 7.485 -14.033 0.44 24.76 ? 293 ASN A HB2 1 -ATOM 5092 H HB3 A ASN A 1 303 ? -18.305 6.731 -13.366 0.56 17.16 ? 293 ASN A HB3 1 -ATOM 5093 H HB3 B ASN A 1 303 ? -18.648 6.645 -13.147 0.44 24.76 ? 293 ASN A HB3 1 -ATOM 5094 H HD21 A ASN A 1 303 ? -19.996 6.494 -16.333 0.56 20.96 ? 293 ASN A HD21 1 -ATOM 5095 H HD21 B ASN A 1 303 ? -19.678 8.113 -16.502 0.44 27.77 ? 293 ASN A HD21 1 -ATOM 5096 H HD22 A ASN A 1 303 ? -18.733 6.022 -15.702 0.56 20.96 ? 293 ASN A HD22 1 -ATOM 5097 H HD22 B ASN A 1 303 ? -18.294 8.230 -15.963 0.44 27.77 ? 293 ASN A HD22 1 -ATOM 5098 N N . TRP A 1 304 ? -20.783 9.394 -11.958 1.00 14.13 ? 294 TRP A N 1 -ATOM 5099 C CA . TRP A 1 304 ? -22.063 9.365 -11.289 1.00 14.25 ? 294 TRP A CA 1 -ATOM 5100 C C . TRP A 1 304 ? -23.214 9.284 -12.274 1.00 15.21 ? 294 TRP A C 1 -ATOM 5101 O O . TRP A 1 304 ? -24.363 9.541 -11.928 1.00 18.27 ? 294 TRP A O 1 -ATOM 5102 C CB . TRP A 1 304 ? -22.130 10.597 -10.354 1.00 14.60 ? 294 TRP A CB 1 -ATOM 5103 C CG . TRP A 1 304 ? -23.199 10.535 -9.304 1.00 15.25 ? 294 TRP A CG 1 -ATOM 5104 C CD1 . TRP A 1 304 ? -24.300 11.274 -9.209 1.00 15.45 ? 294 TRP A CD1 1 -ATOM 5105 C CD2 . TRP A 1 304 ? -23.216 9.624 -8.195 1.00 15.55 ? 294 TRP A CD2 1 -ATOM 5106 N NE1 . TRP A 1 304 ? -25.027 10.897 -8.077 1.00 17.37 ? 294 TRP A NE1 1 -ATOM 5107 C CE2 . TRP A 1 304 ? -24.352 9.906 -7.431 1.00 17.12 ? 294 TRP A CE2 1 -ATOM 5108 C CE3 . TRP A 1 304 ? -22.337 8.633 -7.764 1.00 15.77 ? 294 TRP A CE3 1 -ATOM 5109 C CZ2 . TRP A 1 304 ? -24.627 9.227 -6.252 1.00 18.83 ? 294 TRP A CZ2 1 -ATOM 5110 C CZ3 . TRP A 1 304 ? -22.636 7.956 -6.586 1.00 18.62 ? 294 TRP A CZ3 1 -ATOM 5111 C CH2 . TRP A 1 304 ? -23.747 8.279 -5.848 1.00 18.31 ? 294 TRP A CH2 1 -ATOM 5112 H H A TRP A 1 304 ? -20.633 10.142 -12.354 0.56 16.95 ? 294 TRP A H 1 -ATOM 5113 H H B TRP A 1 304 ? -20.695 10.067 -12.486 0.44 16.95 ? 294 TRP A H 1 -ATOM 5114 H HA . TRP A 1 304 ? -22.162 8.574 -10.735 1.00 17.10 ? 294 TRP A HA 1 -ATOM 5115 H HB2 . TRP A 1 304 ? -21.278 10.684 -9.897 1.00 17.52 ? 294 TRP A HB2 1 -ATOM 5116 H HB3 . TRP A 1 304 ? -22.298 11.385 -10.895 1.00 17.52 ? 294 TRP A HB3 1 -ATOM 5117 H HD1 . TRP A 1 304 ? -24.549 11.941 -9.806 1.00 18.54 ? 294 TRP A HD1 1 -ATOM 5118 H HE1 . TRP A 1 304 ? -25.778 11.236 -7.829 1.00 20.85 ? 294 TRP A HE1 1 -ATOM 5119 H HE3 . TRP A 1 304 ? -21.570 8.431 -8.250 1.00 18.93 ? 294 TRP A HE3 1 -ATOM 5120 H HZ2 . TRP A 1 304 ? -25.391 9.417 -5.756 1.00 22.60 ? 294 TRP A HZ2 1 -ATOM 5121 H HZ3 . TRP A 1 304 ? -22.075 7.273 -6.295 1.00 22.34 ? 294 TRP A HZ3 1 -ATOM 5122 H HH2 . TRP A 1 304 ? -23.900 7.834 -5.046 1.00 21.97 ? 294 TRP A HH2 1 -ATOM 5123 N N . THR A 1 305 ? -22.960 8.942 -13.511 1.00 14.82 ? 295 THR A N 1 -ATOM 5124 C CA . THR A 1 305 ? -24.058 8.792 -14.462 1.00 14.69 ? 295 THR A CA 1 -ATOM 5125 C C . THR A 1 305 ? -24.893 7.553 -14.085 1.00 15.20 ? 295 THR A C 1 -ATOM 5126 O O . THR A 1 305 ? -24.325 6.484 -13.817 1.00 15.53 ? 295 THR A O 1 -ATOM 5127 C CB . THR A 1 305 ? -23.483 8.584 -15.862 1.00 14.54 ? 295 THR A CB 1 -ATOM 5128 O OG1 . THR A 1 305 ? -22.582 9.663 -16.143 1.00 14.23 ? 295 THR A OG1 1 -ATOM 5129 C CG2 . THR A 1 305 ? -24.555 8.544 -16.912 1.00 15.29 ? 295 THR A CG2 1 -ATOM 5130 H H . THR A 1 305 ? -22.177 8.791 -13.833 1.00 17.78 ? 295 THR A H 1 -ATOM 5131 H HA . THR A 1 305 ? -24.621 9.582 -14.449 1.00 17.63 ? 295 THR A HA 1 -ATOM 5132 H HB . THR A 1 305 ? -23.022 7.731 -15.896 1.00 17.45 ? 295 THR A HB 1 -ATOM 5133 H HG1 . THR A 1 305 ? -21.926 9.633 -15.620 1.00 17.08 ? 295 THR A HG1 1 -ATOM 5134 H HG21 . THR A 1 305 ? -24.153 8.503 -17.794 1.00 18.35 ? 295 THR A HG21 1 -ATOM 5135 H HG22 . THR A 1 305 ? -25.115 7.763 -16.785 1.00 18.35 ? 295 THR A HG22 1 -ATOM 5136 H HG23 . THR A 1 305 ? -25.106 9.340 -16.854 1.00 18.35 ? 295 THR A HG23 1 -ATOM 5137 N N . PRO A 1 306 ? -26.197 7.649 -14.022 1.00 15.67 ? 296 PRO A N 1 -ATOM 5138 C CA . PRO A 1 306 ? -26.985 6.502 -13.567 1.00 16.30 ? 296 PRO A CA 1 -ATOM 5139 C C . PRO A 1 306 ? -27.216 5.476 -14.674 1.00 16.68 ? 296 PRO A C 1 -ATOM 5140 O O . PRO A 1 306 ? -27.173 5.790 -15.898 1.00 16.87 ? 296 PRO A O 1 -ATOM 5141 C CB . PRO A 1 306 ? -28.307 7.143 -13.109 1.00 18.73 ? 296 PRO A CB 1 -ATOM 5142 C CG . PRO A 1 306 ? -28.434 8.370 -14.040 1.00 18.72 ? 296 PRO A CG 1 -ATOM 5143 C CD . PRO A 1 306 ? -27.010 8.859 -14.196 1.00 15.94 ? 296 PRO A CD 1 -ATOM 5144 H HA . PRO A 1 306 ? -26.554 6.065 -12.815 1.00 19.56 ? 296 PRO A HA 1 -ATOM 5145 H HB2 . PRO A 1 306 ? -29.044 6.524 -13.234 1.00 22.47 ? 296 PRO A HB2 1 -ATOM 5146 H HB3 . PRO A 1 306 ? -28.251 7.408 -12.178 1.00 22.47 ? 296 PRO A HB3 1 -ATOM 5147 H HG2 . PRO A 1 306 ? -28.809 8.104 -14.895 1.00 22.46 ? 296 PRO A HG2 1 -ATOM 5148 H HG3 . PRO A 1 306 ? -28.994 9.046 -13.628 1.00 22.46 ? 296 PRO A HG3 1 -ATOM 5149 H HD2 . PRO A 1 306 ? -26.873 9.240 -15.077 1.00 19.12 ? 296 PRO A HD2 1 -ATOM 5150 H HD3 . PRO A 1 306 ? -26.797 9.515 -13.514 1.00 19.12 ? 296 PRO A HD3 1 -ATOM 5151 N N . SER A 1 307 ? -27.491 4.242 -14.263 1.00 17.22 ? 297 SER A N 1 -ATOM 5152 C CA . SER A 1 307 ? -28.104 3.269 -15.135 1.00 17.84 ? 297 SER A CA 1 -ATOM 5153 C C . SER A 1 307 ? -29.438 3.830 -15.586 1.00 18.48 ? 297 SER A C 1 -ATOM 5154 O O . SER A 1 307 ? -30.138 4.481 -14.798 1.00 20.74 ? 297 SER A O 1 -ATOM 5155 C CB . SER A 1 307 ? -28.398 1.987 -14.352 1.00 21.77 ? 297 SER A CB 1 -ATOM 5156 O OG . SER A 1 307 ? -27.220 1.477 -13.820 1.00 26.42 ? 297 SER A OG 1 -ATOM 5157 H H . SER A 1 307 ? -27.328 3.946 -13.473 1.00 20.66 ? 297 SER A H 1 -ATOM 5158 H HA . SER A 1 307 ? -27.526 3.072 -15.888 1.00 21.41 ? 297 SER A HA 1 -ATOM 5159 H HB2 . SER A 1 307 ? -29.014 2.187 -13.630 1.00 26.12 ? 297 SER A HB2 1 -ATOM 5160 H HB3 . SER A 1 307 ? -28.789 1.330 -14.949 1.00 26.12 ? 297 SER A HB3 1 -ATOM 5161 H HG . SER A 1 307 ? -26.669 1.326 -14.435 1.00 31.70 ? 297 SER A HG 1 -ATOM 5162 N N . PRO A 1 308 ? -29.875 3.548 -16.803 1.00 18.81 ? 298 PRO A N 1 -ATOM 5163 C CA . PRO A 1 308 ? -29.287 2.691 -17.843 1.00 19.51 ? 298 PRO A CA 1 -ATOM 5164 C C . PRO A 1 308 ? -28.384 3.456 -18.794 1.00 19.19 ? 298 PRO A C 1 -ATOM 5165 O O . PRO A 1 308 ? -27.996 2.926 -19.874 1.00 21.47 ? 298 PRO A O 1 -ATOM 5166 C CB . PRO A 1 308 ? -30.524 2.185 -18.561 1.00 22.74 ? 298 PRO A CB 1 -ATOM 5167 C CG . PRO A 1 308 ? -31.385 3.414 -18.625 1.00 21.38 ? 298 PRO A CG 1 -ATOM 5168 C CD . PRO A 1 308 ? -31.225 4.003 -17.202 1.00 20.72 ? 298 PRO A CD 1 -ATOM 5169 H HA . PRO A 1 308 ? -28.787 1.953 -17.461 1.00 23.41 ? 298 PRO A HA 1 -ATOM 5170 H HB2 . PRO A 1 308 ? -30.296 1.863 -19.447 1.00 27.28 ? 298 PRO A HB2 1 -ATOM 5171 H HB3 . PRO A 1 308 ? -30.949 1.479 -18.050 1.00 27.28 ? 298 PRO A HB3 1 -ATOM 5172 H HG2 . PRO A 1 308 ? -31.057 4.025 -19.303 1.00 25.65 ? 298 PRO A HG2 1 -ATOM 5173 H HG3 . PRO A 1 308 ? -32.307 3.176 -18.810 1.00 25.65 ? 298 PRO A HG3 1 -ATOM 5174 H HD2 . PRO A 1 308 ? -31.272 4.972 -17.221 1.00 24.86 ? 298 PRO A HD2 1 -ATOM 5175 H HD3 . PRO A 1 308 ? -31.901 3.650 -16.603 1.00 24.86 ? 298 PRO A HD3 1 -ATOM 5176 N N . TYR A 1 309 ? -28.048 4.695 -18.476 1.00 17.40 ? 299 TYR A N 1 -ATOM 5177 C CA . TYR A 1 309 ? -27.313 5.569 -19.376 1.00 17.41 ? 299 TYR A CA 1 -ATOM 5178 C C . TYR A 1 309 ? -25.840 5.370 -19.284 1.00 17.30 ? 299 TYR A C 1 -ATOM 5179 O O . TYR A 1 309 ? -25.127 5.583 -20.297 1.00 17.71 ? 299 TYR A O 1 -ATOM 5180 C CB . TYR A 1 309 ? -27.624 7.062 -19.091 1.00 16.55 ? 299 TYR A CB 1 -ATOM 5181 C CG . TYR A 1 309 ? -29.097 7.333 -18.949 1.00 17.95 ? 299 TYR A CG 1 -ATOM 5182 C CD1 . TYR A 1 309 ? -29.976 7.055 -19.948 1.00 19.37 ? 299 TYR A CD1 1 -ATOM 5183 C CD2 . TYR A 1 309 ? -29.591 7.860 -17.755 1.00 19.64 ? 299 TYR A CD2 1 -ATOM 5184 C CE1 . TYR A 1 309 ? -31.362 7.307 -19.788 1.00 20.15 ? 299 TYR A CE1 1 -ATOM 5185 C CE2 . TYR A 1 309 ? -30.955 8.118 -17.600 1.00 20.31 ? 299 TYR A CE2 1 -ATOM 5186 C CZ . TYR A 1 309 ? -31.798 7.858 -18.612 1.00 20.09 ? 299 TYR A CZ 1 -ATOM 5187 O OH . TYR A 1 309 ? -33.136 8.094 -18.468 1.00 25.16 ? 299 TYR A OH 1 -ATOM 5188 H H . TYR A 1 309 ? -28.237 5.066 -17.723 1.00 20.88 ? 299 TYR A H 1 -ATOM 5189 H HA . TYR A 1 309 ? -27.608 5.362 -20.277 1.00 20.89 ? 299 TYR A HA 1 -ATOM 5190 H HB2 . TYR A 1 309 ? -27.189 7.322 -18.264 1.00 19.86 ? 299 TYR A HB2 1 -ATOM 5191 H HB3 . TYR A 1 309 ? -27.289 7.600 -19.826 1.00 19.86 ? 299 TYR A HB3 1 -ATOM 5192 H HD1 . TYR A 1 309 ? -29.664 6.695 -20.747 1.00 23.24 ? 299 TYR A HD1 1 -ATOM 5193 H HD2 . TYR A 1 309 ? -29.005 8.042 -17.056 1.00 23.56 ? 299 TYR A HD2 1 -ATOM 5194 H HE1 . TYR A 1 309 ? -31.963 7.102 -20.467 1.00 24.18 ? 299 TYR A HE1 1 -ATOM 5195 H HE2 . TYR A 1 309 ? -31.277 8.468 -16.800 1.00 24.37 ? 299 TYR A HE2 1 -ATOM 5196 H HH . TYR A 1 309 ? -33.288 8.436 -17.716 1.00 30.20 ? 299 TYR A HH 1 -ATOM 5197 N N . ARG A 1 310 ? -25.307 5.006 -18.114 1.00 16.47 ? 300 ARG A N 1 -ATOM 5198 C CA . ARG A 1 310 ? -23.862 5.016 -17.918 1.00 17.46 ? 300 ARG A CA 1 -ATOM 5199 C C . ARG A 1 310 ? -23.140 4.226 -18.985 1.00 16.92 ? 300 ARG A C 1 -ATOM 5200 O O . ARG A 1 310 ? -22.094 4.662 -19.470 1.00 17.43 ? 300 ARG A O 1 -ATOM 5201 C CB . ARG A 1 310 ? -23.461 4.580 -16.489 1.00 18.08 ? 300 ARG A CB 1 -ATOM 5202 C CG . ARG A 1 310 ? -23.861 3.226 -16.118 1.00 19.90 ? 300 ARG A CG 1 -ATOM 5203 C CD . ARG A 1 310 ? -23.384 2.855 -14.689 1.00 22.89 ? 300 ARG A CD 1 -ATOM 5204 N NE . ARG A 1 310 ? -23.852 1.494 -14.415 1.00 26.31 ? 300 ARG A NE 1 -ATOM 5205 C CZ . ARG A 1 310 ? -23.528 0.760 -13.349 1.00 69.15 ? 300 ARG A CZ 1 -ATOM 5206 N NH1 . ARG A 1 310 ? -22.671 1.216 -12.480 1.00 30.14 ? 300 ARG A NH1 1 -ATOM 5207 N NH2 . ARG A 1 310 ? -24.040 -0.446 -13.169 1.00 34.75 ? 300 ARG A NH2 1 -ATOM 5208 H H . ARG A 1 310 ? -25.757 4.751 -17.427 1.00 19.77 ? 300 ARG A H 1 -ATOM 5209 H HA . ARG A 1 310 ? -23.569 5.937 -17.998 1.00 20.95 ? 300 ARG A HA 1 -ATOM 5210 H HB2 . ARG A 1 310 ? -22.495 4.627 -16.415 1.00 21.70 ? 300 ARG A HB2 1 -ATOM 5211 H HB3 . ARG A 1 310 ? -23.873 5.188 -15.856 1.00 21.70 ? 300 ARG A HB3 1 -ATOM 5212 H HG2 . ARG A 1 310 ? -24.829 3.161 -16.142 1.00 23.88 ? 300 ARG A HG2 1 -ATOM 5213 H HG3 . ARG A 1 310 ? -23.471 2.594 -16.742 1.00 23.88 ? 300 ARG A HG3 1 -ATOM 5214 H HD2 . ARG A 1 310 ? -22.415 2.879 -14.641 1.00 27.47 ? 300 ARG A HD2 1 -ATOM 5215 H HD3 . ARG A 1 310 ? -23.764 3.465 -14.038 1.00 27.47 ? 300 ARG A HD3 1 -ATOM 5216 H HE . ARG A 1 310 ? -24.381 1.137 -14.991 1.00 31.58 ? 300 ARG A HE 1 -ATOM 5217 H HH11 . ARG A 1 310 ? -22.314 1.990 -12.593 1.00 36.17 ? 300 ARG A HH11 1 -ATOM 5218 H HH12 . ARG A 1 310 ? -22.462 0.744 -11.792 1.00 36.17 ? 300 ARG A HH12 1 -ATOM 5219 H HH21 . ARG A 1 310 ? -24.591 -0.768 -13.745 1.00 41.69 ? 300 ARG A HH21 1 -ATOM 5220 H HH22 . ARG A 1 310 ? -23.822 -0.907 -12.477 1.00 41.69 ? 300 ARG A HH22 1 -ATOM 5221 N N . GLN A 1 311 ? -23.622 3.035 -19.295 1.00 17.02 ? 301 GLN A N 1 -ATOM 5222 C CA . GLN A 1 311 ? -22.952 2.165 -20.232 1.00 18.40 ? 301 GLN A CA 1 -ATOM 5223 C C . GLN A 1 311 ? -22.954 2.708 -21.637 1.00 18.92 ? 301 GLN A C 1 -ATOM 5224 O O . GLN A 1 311 ? -22.175 2.216 -22.480 1.00 20.56 ? 301 GLN A O 1 -ATOM 5225 C CB . GLN A 1 311 ? -23.554 0.763 -20.219 1.00 20.57 ? 301 GLN A CB 1 -ATOM 5226 C CG . GLN A 1 311 ? -24.981 0.661 -20.525 1.00 24.20 ? 301 GLN A CG 1 -ATOM 5227 C CD . GLN A 1 311 ? -25.849 0.582 -19.299 1.00 63.45 ? 301 GLN A CD 1 -ATOM 5228 O OE1 . GLN A 1 311 ? -25.677 1.347 -18.358 1.00 25.71 ? 301 GLN A OE1 1 -ATOM 5229 N NE2 . GLN A 1 311 ? -26.802 -0.349 -19.310 1.00 33.54 ? 301 GLN A NE2 1 -ATOM 5230 H H . GLN A 1 311 ? -24.347 2.705 -18.970 1.00 20.42 ? 301 GLN A H 1 -ATOM 5231 H HA . GLN A 1 311 ? -22.030 2.084 -19.942 1.00 22.08 ? 301 GLN A HA 1 -ATOM 5232 H HB2 . GLN A 1 311 ? -23.083 0.227 -20.877 1.00 24.69 ? 301 GLN A HB2 1 -ATOM 5233 H HB3 . GLN A 1 311 ? -23.426 0.388 -19.334 1.00 24.69 ? 301 GLN A HB3 1 -ATOM 5234 H HG2 . GLN A 1 311 ? -25.250 1.445 -21.030 1.00 29.04 ? 301 GLN A HG2 1 -ATOM 5235 H HG3 . GLN A 1 311 ? -25.134 -0.140 -21.050 1.00 29.04 ? 301 GLN A HG3 1 -ATOM 5236 H HE21 . GLN A 1 311 ? -26.894 -0.863 -19.993 1.00 40.24 ? 301 GLN A HE21 1 -ATOM 5237 H HE22 . GLN A 1 311 ? -27.326 -0.435 -18.633 1.00 40.24 ? 301 GLN A HE22 1 -ATOM 5238 N N . LEU A 1 312 ? -23.787 3.697 -21.933 1.00 16.42 ? 302 LEU A N 1 -ATOM 5239 C CA . LEU A 1 312 ? -23.895 4.255 -23.284 1.00 16.46 ? 302 LEU A CA 1 -ATOM 5240 C C . LEU A 1 312 ? -22.960 5.443 -23.500 1.00 15.77 ? 302 LEU A C 1 -ATOM 5241 O O . LEU A 1 312 ? -22.830 5.890 -24.672 1.00 15.80 ? 302 LEU A O 1 -ATOM 5242 C CB . LEU A 1 312 ? -25.346 4.678 -23.576 1.00 16.90 ? 302 LEU A CB 1 -ATOM 5243 C CG . LEU A 1 312 ? -26.331 3.569 -23.443 1.00 17.68 ? 302 LEU A CG 1 -ATOM 5244 C CD1 . LEU A 1 312 ? -27.744 4.090 -23.676 1.00 19.23 ? 302 LEU A CD1 1 -ATOM 5245 C CD2 . LEU A 1 312 ? -26.021 2.488 -24.407 1.00 20.07 ? 302 LEU A CD2 1 -ATOM 5246 H H . LEU A 1 312 ? -24.311 4.072 -21.363 1.00 19.70 ? 302 LEU A H 1 -ATOM 5247 H HA . LEU A 1 312 ? -23.662 3.567 -23.927 1.00 19.75 ? 302 LEU A HA 1 -ATOM 5248 H HB2 . LEU A 1 312 ? -25.599 5.376 -22.951 1.00 20.28 ? 302 LEU A HB2 1 -ATOM 5249 H HB3 . LEU A 1 312 ? -25.396 5.013 -24.485 1.00 20.28 ? 302 LEU A HB3 1 -ATOM 5250 H HG . LEU A 1 312 ? -26.280 3.204 -22.546 1.00 21.22 ? 302 LEU A HG 1 -ATOM 5251 H HD11 . LEU A 1 312 ? -28.371 3.356 -23.578 1.00 23.07 ? 302 LEU A HD11 1 -ATOM 5252 H HD12 . LEU A 1 312 ? -27.939 4.780 -23.023 1.00 23.07 ? 302 LEU A HD12 1 -ATOM 5253 H HD13 . LEU A 1 312 ? -27.802 4.457 -24.572 1.00 23.07 ? 302 LEU A HD13 1 -ATOM 5254 H HD21 . LEU A 1 312 ? -26.784 1.892 -24.469 1.00 24.08 ? 302 LEU A HD21 1 -ATOM 5255 H HD22 . LEU A 1 312 ? -25.836 2.881 -25.274 1.00 24.08 ? 302 LEU A HD22 1 -ATOM 5256 H HD23 . LEU A 1 312 ? -25.244 1.998 -24.093 1.00 24.08 ? 302 LEU A HD23 1 -ATOM 5257 N N . TYR A 1 313 ? -22.289 5.956 -22.488 1.00 15.68 ? 303 TYR A N 1 -ATOM 5258 C CA . TYR A 1 313 ? -21.380 7.093 -22.681 1.00 14.66 ? 303 TYR A CA 1 -ATOM 5259 C C . TYR A 1 313 ? -20.004 6.561 -23.031 1.00 14.47 ? 303 TYR A C 1 -ATOM 5260 O O . TYR A 1 313 ? -19.031 6.683 -22.300 1.00 15.10 ? 303 TYR A O 1 -ATOM 5261 C CB . TYR A 1 313 ? -21.397 8.018 -21.480 1.00 15.60 ? 303 TYR A CB 1 -ATOM 5262 C CG . TYR A 1 313 ? -20.821 9.362 -21.745 1.00 13.97 ? 303 TYR A CG 1 -ATOM 5263 C CD1 . TYR A 1 313 ? -21.552 10.386 -22.332 1.00 13.97 ? 303 TYR A CD1 1 -ATOM 5264 C CD2 . TYR A 1 313 ? -19.541 9.635 -21.317 1.00 15.45 ? 303 TYR A CD2 1 -ATOM 5265 C CE1 . TYR A 1 313 ? -21.018 11.640 -22.503 1.00 13.67 ? 303 TYR A CE1 1 -ATOM 5266 C CE2 . TYR A 1 313 ? -19.020 10.894 -21.476 1.00 16.97 ? 303 TYR A CE2 1 -ATOM 5267 C CZ . TYR A 1 313 ? -19.748 11.872 -22.017 1.00 16.39 ? 303 TYR A CZ 1 -ATOM 5268 O OH . TYR A 1 313 ? -19.292 13.169 -22.168 1.00 19.86 ? 303 TYR A OH 1 -ATOM 5269 H H . TYR A 1 313 ? -22.337 5.672 -21.678 1.00 18.82 ? 303 TYR A H 1 -ATOM 5270 H HA . TYR A 1 313 ? -21.682 7.629 -23.431 1.00 17.60 ? 303 TYR A HA 1 -ATOM 5271 H HB2 . TYR A 1 313 ? -22.316 8.142 -21.196 1.00 18.72 ? 303 TYR A HB2 1 -ATOM 5272 H HB3 . TYR A 1 313 ? -20.881 7.611 -20.766 1.00 18.72 ? 303 TYR A HB3 1 -ATOM 5273 H HD1 . TYR A 1 313 ? -22.422 10.219 -22.615 1.00 16.76 ? 303 TYR A HD1 1 -ATOM 5274 H HD2 . TYR A 1 313 ? -19.030 8.966 -20.922 1.00 18.54 ? 303 TYR A HD2 1 -ATOM 5275 H HE1 . TYR A 1 313 ? -21.498 12.311 -22.932 1.00 16.40 ? 303 TYR A HE1 1 -ATOM 5276 H HE2 . TYR A 1 313 ? -18.149 11.068 -21.202 1.00 20.36 ? 303 TYR A HE2 1 -ATOM 5277 H HH . TYR A 1 313 ? -18.545 13.256 -21.794 1.00 23.84 ? 303 TYR A HH 1 -ATOM 5278 N N . GLN A 1 314 ? -19.969 5.960 -24.216 1.00 14.85 ? 304 GLN A N 1 -ATOM 5279 C CA . GLN A 1 314 ? -18.878 5.075 -24.626 1.00 17.33 ? 304 GLN A CA 1 -ATOM 5280 C C . GLN A 1 314 ? -17.781 5.827 -25.386 1.00 15.71 ? 304 GLN A C 1 -ATOM 5281 O O . GLN A 1 314 ? -17.565 5.592 -26.577 1.00 16.47 ? 304 GLN A O 1 -ATOM 5282 C CB A GLN A 1 314 ? -19.400 3.855 -25.415 0.79 17.21 ? 304 GLN A CB 1 -ATOM 5283 C CG A GLN A 1 314 ? -20.194 2.877 -24.616 0.79 24.87 ? 304 GLN A CG 1 -ATOM 5284 C CD A GLN A 1 314 ? -20.661 1.688 -25.458 0.79 73.53 ? 304 GLN A CD 1 -ATOM 5285 O OE1 A GLN A 1 314 ? -20.007 1.285 -26.416 0.79 32.47 ? 304 GLN A OE1 1 -ATOM 5286 N NE2 A GLN A 1 314 ? -21.806 1.131 -25.100 0.79 31.79 ? 304 GLN A NE2 1 -ATOM 5287 H H . GLN A 1 314 ? -20.579 6.050 -24.816 1.00 17.81 ? 304 GLN A H 1 -ATOM 5288 H HA . GLN A 1 314 ? -18.475 4.736 -23.812 1.00 20.79 ? 304 GLN A HA 1 -ATOM 5289 H HB2 A GLN A 1 314 ? -19.970 4.174 -26.132 0.79 20.65 ? 304 GLN A HB2 1 -ATOM 5290 H HB3 A GLN A 1 314 ? -18.639 3.379 -25.782 0.79 20.65 ? 304 GLN A HB3 1 -ATOM 5291 H HG2 A GLN A 1 314 ? -19.646 2.538 -23.891 0.79 29.84 ? 304 GLN A HG2 1 -ATOM 5292 H HG3 A GLN A 1 314 ? -20.979 3.321 -24.258 0.79 29.84 ? 304 GLN A HG3 1 -ATOM 5293 H HE21 A GLN A 1 314 ? -22.243 1.441 -24.427 0.79 38.15 ? 304 GLN A HE21 1 -ATOM 5294 H HE22 A GLN A 1 314 ? -22.113 0.460 -25.540 0.79 38.15 ? 304 GLN A HE22 1 -ATOM 5295 N N . LEU A 1 315 ? -17.100 6.765 -24.716 1.00 15.71 ? 305 LEU A N 1 -ATOM 5296 C CA . LEU A 1 315 ? -16.030 7.542 -25.374 1.00 15.41 ? 305 LEU A CA 1 -ATOM 5297 C C . LEU A 1 315 ? -14.989 6.586 -25.921 1.00 16.25 ? 305 LEU A C 1 -ATOM 5298 O O . LEU A 1 315 ? -14.458 6.787 -27.031 1.00 15.31 ? 305 LEU A O 1 -ATOM 5299 C CB . LEU A 1 315 ? -15.346 8.461 -24.376 1.00 15.30 ? 305 LEU A CB 1 -ATOM 5300 C CG . LEU A 1 315 ? -16.209 9.510 -23.675 1.00 15.67 ? 305 LEU A CG 1 -ATOM 5301 C CD1 . LEU A 1 315 ? -15.350 10.234 -22.596 1.00 16.07 ? 305 LEU A CD1 1 -ATOM 5302 C CD2 . LEU A 1 315 ? -16.790 10.509 -24.636 1.00 16.96 ? 305 LEU A CD2 1 -ATOM 5303 H H . LEU A 1 315 ? -17.232 6.972 -23.892 1.00 18.86 ? 305 LEU A H 1 -ATOM 5304 H HA . LEU A 1 315 ? -16.420 8.083 -26.078 1.00 18.49 ? 305 LEU A HA 1 -ATOM 5305 H HB2 . LEU A 1 315 ? -14.958 7.907 -23.681 1.00 18.36 ? 305 LEU A HB2 1 -ATOM 5306 H HB3 . LEU A 1 315 ? -14.647 8.941 -24.847 1.00 18.36 ? 305 LEU A HB3 1 -ATOM 5307 H HG . LEU A 1 315 ? -16.961 9.063 -23.256 1.00 18.80 ? 305 LEU A HG 1 -ATOM 5308 H HD11 . LEU A 1 315 ? -15.900 10.894 -22.145 1.00 19.28 ? 305 LEU A HD11 1 -ATOM 5309 H HD12 . LEU A 1 315 ? -15.028 9.579 -21.957 1.00 19.28 ? 305 LEU A HD12 1 -ATOM 5310 H HD13 . LEU A 1 315 ? -14.599 10.669 -23.030 1.00 19.28 ? 305 LEU A HD13 1 -ATOM 5311 H HD21 . LEU A 1 315 ? -17.342 11.136 -24.144 1.00 20.35 ? 305 LEU A HD21 1 -ATOM 5312 H HD22 . LEU A 1 315 ? -16.066 10.982 -25.076 1.00 20.35 ? 305 LEU A HD22 1 -ATOM 5313 H HD23 . LEU A 1 315 ? -17.327 10.040 -25.293 1.00 20.35 ? 305 LEU A HD23 1 -ATOM 5314 N N . TYR A 1 316 ? -14.673 5.548 -25.152 1.00 14.82 ? 306 TYR A N 1 -ATOM 5315 C CA . TYR A 1 316 ? -13.669 4.543 -25.473 1.00 16.82 ? 306 TYR A CA 1 -ATOM 5316 C C . TYR A 1 316 ? -14.016 3.255 -24.754 1.00 15.90 ? 306 TYR A C 1 -ATOM 5317 O O . TYR A 1 316 ? -14.711 3.276 -23.721 1.00 17.33 ? 306 TYR A O 1 -ATOM 5318 C CB . TYR A 1 316 ? -12.248 5.010 -25.070 1.00 16.15 ? 306 TYR A CB 1 -ATOM 5319 C CG . TYR A 1 316 ? -12.156 5.626 -23.698 1.00 14.71 ? 306 TYR A CG 1 -ATOM 5320 C CD1 . TYR A 1 316 ? -12.046 4.836 -22.566 1.00 16.48 ? 306 TYR A CD1 1 -ATOM 5321 C CD2 . TYR A 1 316 ? -12.173 6.982 -23.535 1.00 14.18 ? 306 TYR A CD2 1 -ATOM 5322 C CE1 . TYR A 1 316 ? -11.970 5.433 -21.302 1.00 15.72 ? 306 TYR A CE1 1 -ATOM 5323 C CE2 . TYR A 1 316 ? -12.120 7.560 -22.279 1.00 15.35 ? 306 TYR A CE2 1 -ATOM 5324 C CZ . TYR A 1 316 ? -12.041 6.764 -21.184 1.00 13.22 ? 306 TYR A CZ 1 -ATOM 5325 O OH . TYR A 1 316 ? -11.957 7.319 -19.915 1.00 16.85 ? 306 TYR A OH 1 -ATOM 5326 H H . TYR A 1 316 ? -15.050 5.395 -24.394 1.00 17.78 ? 306 TYR A H 1 -ATOM 5327 H HA . TYR A 1 316 ? -13.683 4.374 -26.428 1.00 20.18 ? 306 TYR A HA 1 -ATOM 5328 H HB2 . TYR A 1 316 ? -11.655 4.242 -25.086 1.00 19.38 ? 306 TYR A HB2 1 -ATOM 5329 H HB3 . TYR A 1 316 ? -11.948 5.675 -25.710 1.00 19.38 ? 306 TYR A HB3 1 -ATOM 5330 H HD1 . TYR A 1 316 ? -12.022 3.909 -22.646 1.00 19.77 ? 306 TYR A HD1 1 -ATOM 5331 H HD2 . TYR A 1 316 ? -12.223 7.529 -24.286 1.00 17.01 ? 306 TYR A HD2 1 -ATOM 5332 H HE1 . TYR A 1 316 ? -11.870 4.904 -20.543 1.00 18.87 ? 306 TYR A HE1 1 -ATOM 5333 H HE2 . TYR A 1 316 ? -12.138 8.485 -22.187 1.00 18.42 ? 306 TYR A HE2 1 -ATOM 5334 H HH . TYR A 1 316 ? -12.029 8.154 -19.961 1.00 20.21 ? 306 TYR A HH 1 -ATOM 5335 N N . PRO A 1 317 ? -13.536 2.128 -25.241 1.00 17.12 ? 307 PRO A N 1 -ATOM 5336 C CA . PRO A 1 317 ? -13.842 0.847 -24.607 1.00 18.02 ? 307 PRO A CA 1 -ATOM 5337 C C . PRO A 1 317 ? -13.255 0.758 -23.210 1.00 18.07 ? 307 PRO A C 1 -ATOM 5338 O O . PRO A 1 317 ? -12.182 1.317 -22.920 1.00 19.39 ? 307 PRO A O 1 -ATOM 5339 C CB . PRO A 1 317 ? -13.237 -0.198 -25.558 1.00 20.80 ? 307 PRO A CB 1 -ATOM 5340 C CG . PRO A 1 317 ? -12.238 0.542 -26.322 1.00 23.69 ? 307 PRO A CG 1 -ATOM 5341 C CD . PRO A 1 317 ? -12.718 1.944 -26.454 1.00 18.49 ? 307 PRO A CD 1 -ATOM 5342 H HA . PRO A 1 317 ? -14.801 0.708 -24.563 1.00 21.62 ? 307 PRO A HA 1 -ATOM 5343 H HB2 . PRO A 1 317 ? -12.827 -0.914 -25.048 1.00 24.96 ? 307 PRO A HB2 1 -ATOM 5344 H HB3 . PRO A 1 317 ? -13.926 -0.558 -26.139 1.00 24.96 ? 307 PRO A HB3 1 -ATOM 5345 H HG2 . PRO A 1 317 ? -11.392 0.519 -25.848 1.00 28.42 ? 307 PRO A HG2 1 -ATOM 5346 H HG3 . PRO A 1 317 ? -12.139 0.135 -27.197 1.00 28.42 ? 307 PRO A HG3 1 -ATOM 5347 H HD2 . PRO A 1 317 ? -11.974 2.566 -26.468 1.00 22.19 ? 307 PRO A HD2 1 -ATOM 5348 H HD3 . PRO A 1 317 ? -13.256 2.052 -27.254 1.00 22.19 ? 307 PRO A HD3 1 -ATOM 5349 N N . GLY A 1 318 ? -13.971 0.031 -22.367 1.00 19.52 ? 308 GLY A N 1 -ATOM 5350 C CA . GLY A 1 318 ? -13.543 -0.183 -20.986 1.00 19.47 ? 308 GLY A CA 1 -ATOM 5351 C C . GLY A 1 318 ? -13.800 0.961 -20.060 1.00 19.42 ? 308 GLY A C 1 -ATOM 5352 O O . GLY A 1 318 ? -13.447 0.854 -18.878 1.00 19.58 ? 308 GLY A O 1 -ATOM 5353 H H . GLY A 1 318 ? -14.714 -0.353 -22.567 1.00 23.43 ? 308 GLY A H 1 -ATOM 5354 H HA2 . GLY A 1 318 ? -14.007 -0.958 -20.634 1.00 23.37 ? 308 GLY A HA2 1 -ATOM 5355 H HA3 . GLY A 1 318 ? -12.589 -0.358 -20.981 1.00 23.37 ? 308 GLY A HA3 1 -ATOM 5356 N N . LYS A 1 319 ? -14.383 2.061 -20.539 1.00 20.14 ? 309 LYS A N 1 -ATOM 5357 C CA . LYS A 1 319 ? -14.572 3.242 -19.690 1.00 18.89 ? 309 LYS A CA 1 -ATOM 5358 C C . LYS A 1 319 ? -15.468 2.964 -18.500 1.00 21.67 ? 309 LYS A C 1 -ATOM 5359 O O . LYS A 1 319 ? -15.230 3.451 -17.389 1.00 20.12 ? 309 LYS A O 1 -ATOM 5360 C CB . LYS A 1 319 ? -15.172 4.345 -20.494 1.00 17.63 ? 309 LYS A CB 1 -ATOM 5361 C CG . LYS A 1 319 ? -15.379 5.642 -19.676 1.00 18.42 ? 309 LYS A CG 1 -ATOM 5362 C CD . LYS A 1 319 ? -15.923 6.751 -20.479 1.00 20.10 ? 309 LYS A CD 1 -ATOM 5363 C CE . LYS A 1 319 ? -16.266 7.969 -19.631 1.00 19.54 ? 309 LYS A CE 1 -ATOM 5364 N NZ . LYS A 1 319 ? -17.229 7.634 -18.517 1.00 22.39 ? 309 LYS A NZ 1 -ATOM 5365 H H . LYS A 1 319 ? -14.676 2.151 -21.343 1.00 24.17 ? 309 LYS A H 1 -ATOM 5366 H HA . LYS A 1 319 ? -13.701 3.508 -19.358 1.00 22.67 ? 309 LYS A HA 1 -ATOM 5367 H HB2 . LYS A 1 319 ? -14.583 4.550 -21.237 1.00 21.16 ? 309 LYS A HB2 1 -ATOM 5368 H HB3 . LYS A 1 319 ? -16.037 4.059 -20.826 1.00 21.16 ? 309 LYS A HB3 1 -ATOM 5369 H HG2 . LYS A 1 319 ? -16.001 5.464 -18.954 1.00 22.10 ? 309 LYS A HG2 1 -ATOM 5370 H HG3 . LYS A 1 319 ? -14.525 5.927 -19.315 1.00 22.10 ? 309 LYS A HG3 1 -ATOM 5371 H HD2 . LYS A 1 319 ? -15.264 7.020 -21.139 1.00 24.12 ? 309 LYS A HD2 1 -ATOM 5372 H HD3 . LYS A 1 319 ? -16.734 6.455 -20.922 1.00 24.12 ? 309 LYS A HD3 1 -ATOM 5373 H HE2 . LYS A 1 319 ? -15.453 8.319 -19.233 1.00 23.45 ? 309 LYS A HE2 1 -ATOM 5374 H HE3 . LYS A 1 319 ? -16.677 8.644 -20.194 1.00 23.45 ? 309 LYS A HE3 1 -ATOM 5375 H HZ1 . LYS A 1 319 ? -17.493 8.379 -18.109 1.00 26.86 ? 309 LYS A HZ1 1 -ATOM 5376 H HZ2 . LYS A 1 319 ? -17.942 7.217 -18.847 1.00 26.86 ? 309 LYS A HZ2 1 -ATOM 5377 H HZ3 . LYS A 1 319 ? -16.833 7.103 -17.922 1.00 26.86 ? 309 LYS A HZ3 1 -ATOM 5378 N N . ILE A 1 320 ? -16.517 2.178 -18.712 1.00 24.59 ? 310 ILE A N 1 -ATOM 5379 C CA . ILE A 1 320 ? -17.585 1.995 -17.760 1.00 22.85 ? 310 ILE A CA 1 -ATOM 5380 C C . ILE A 1 320 ? -17.492 0.581 -17.212 1.00 24.84 ? 310 ILE A C 1 -ATOM 5381 O O . ILE A 1 320 ? -17.293 -0.355 -17.989 1.00 29.21 ? 310 ILE A O 1 -ATOM 5382 C CB . ILE A 1 320 ? -18.937 2.218 -18.478 1.00 24.18 ? 310 ILE A CB 1 -ATOM 5383 C CG1 . ILE A 1 320 ? -18.993 3.639 -19.055 1.00 32.19 ? 310 ILE A CG1 1 -ATOM 5384 C CG2 . ILE A 1 320 ? -20.087 2.001 -17.498 1.00 26.48 ? 310 ILE A CG2 1 -ATOM 5385 C CD1 . ILE A 1 320 ? -19.090 3.684 -20.578 1.00 31.92 ? 310 ILE A CD1 1 -ATOM 5386 H H . ILE A 1 320 ? -16.629 1.723 -19.434 1.00 29.51 ? 310 ILE A H 1 -ATOM 5387 H HA . ILE A 1 320 ? -17.497 2.609 -17.014 1.00 27.42 ? 310 ILE A HA 1 -ATOM 5388 H HB . ILE A 1 320 ? -19.018 1.581 -19.205 1.00 29.02 ? 310 ILE A HB 1 -ATOM 5389 H HG12 . ILE A 1 320 ? -19.772 4.091 -18.696 1.00 38.62 ? 310 ILE A HG12 1 -ATOM 5390 H HG13 . ILE A 1 320 ? -18.186 4.112 -18.797 1.00 38.62 ? 310 ILE A HG13 1 -ATOM 5391 H HG21 . ILE A 1 320 ? -20.915 2.290 -17.914 1.00 31.77 ? 310 ILE A HG21 1 -ATOM 5392 H HG22 . ILE A 1 320 ? -20.140 1.058 -17.277 1.00 31.77 ? 310 ILE A HG22 1 -ATOM 5393 H HG23 . ILE A 1 320 ? -19.921 2.520 -16.696 1.00 31.77 ? 310 ILE A HG23 1 -ATOM 5394 H HD11 . ILE A 1 320 ? -19.127 4.610 -20.865 1.00 38.30 ? 310 ILE A HD11 1 -ATOM 5395 H HD12 . ILE A 1 320 ? -18.310 3.251 -20.958 1.00 38.30 ? 310 ILE A HD12 1 -ATOM 5396 H HD13 . ILE A 1 320 ? -19.895 3.219 -20.857 1.00 38.30 ? 310 ILE A HD13 1 -ATOM 5397 N N . SER A 1 321 ? -17.602 0.404 -15.902 1.00 22.11 ? 311 SER A N 1 -ATOM 5398 C CA . SER A 1 321 ? -17.868 -0.902 -15.328 1.00 26.14 ? 311 SER A CA 1 -ATOM 5399 C C . SER A 1 321 ? -19.333 -0.976 -14.938 1.00 20.64 ? 311 SER A C 1 -ATOM 5400 O O . SER A 1 321 ? -19.854 -0.039 -14.314 1.00 27.49 ? 311 SER A O 1 -ATOM 5401 C CB . SER A 1 321 ? -17.051 -1.185 -14.068 1.00 24.66 ? 311 SER A CB 1 -ATOM 5402 O OG . SER A 1 321 ? -17.387 -2.461 -13.589 1.00 26.64 ? 311 SER A OG 1 -ATOM 5403 H H . SER A 1 321 ? -17.524 1.033 -15.321 1.00 26.53 ? 311 SER A H 1 -ATOM 5404 H HA . SER A 1 321 ? -17.636 -1.569 -15.993 1.00 31.37 ? 311 SER A HA 1 -ATOM 5405 H HB2 . SER A 1 321 ? -16.105 -1.157 -14.282 1.00 29.59 ? 311 SER A HB2 1 -ATOM 5406 H HB3 . SER A 1 321 ? -17.257 -0.520 -13.392 1.00 29.59 ? 311 SER A HB3 1 -ATOM 5407 H HG . SER A 1 321 ? -16.962 -2.624 -12.883 1.00 31.97 ? 311 SER A HG 1 -ATOM 5408 N N . VAL A 1 322 ? -19.937 -2.097 -15.243 1.00 23.31 ? 312 VAL A N 1 -ATOM 5409 C CA . VAL A 1 322 ? -21.317 -2.340 -14.845 1.00 24.23 ? 312 VAL A CA 1 -ATOM 5410 C C . VAL A 1 322 ? -21.434 -3.435 -13.791 1.00 22.20 ? 312 VAL A C 1 -ATOM 5411 O O . VAL A 1 322 ? -22.501 -3.895 -13.508 1.00 23.10 ? 312 VAL A O 1 -ATOM 5412 C CB . VAL A 1 322 ? -22.224 -2.624 -16.050 1.00 40.40 ? 312 VAL A CB 1 -ATOM 5413 C CG1 . VAL A 1 322 ? -22.410 -1.349 -16.863 1.00 38.25 ? 312 VAL A CG1 1 -ATOM 5414 C CG2 . VAL A 1 322 ? -21.653 -3.767 -16.876 1.00 27.49 ? 312 VAL A CG2 1 -ATOM 5415 H H . VAL A 1 322 ? -19.574 -2.741 -15.682 1.00 27.98 ? 312 VAL A H 1 -ATOM 5416 H HA . VAL A 1 322 ? -21.632 -1.522 -14.430 1.00 29.07 ? 312 VAL A HA 1 -ATOM 5417 H HB . VAL A 1 322 ? -23.103 -2.905 -15.753 1.00 48.47 ? 312 VAL A HB 1 -ATOM 5418 H HG11 . VAL A 1 322 ? -22.988 -1.537 -17.618 1.00 45.91 ? 312 VAL A HG11 1 -ATOM 5419 H HG12 . VAL A 1 322 ? -22.814 -0.671 -16.299 1.00 45.91 ? 312 VAL A HG12 1 -ATOM 5420 H HG13 . VAL A 1 322 ? -21.544 -1.045 -17.176 1.00 45.91 ? 312 VAL A HG13 1 -ATOM 5421 H HG21 . VAL A 1 322 ? -22.284 -3.995 -17.577 1.00 32.99 ? 312 VAL A HG21 1 -ATOM 5422 H HG22 . VAL A 1 322 ? -20.811 -3.485 -17.266 1.00 32.99 ? 312 VAL A HG22 1 -ATOM 5423 H HG23 . VAL A 1 322 ? -21.510 -4.533 -16.298 1.00 32.99 ? 312 VAL A HG23 1 -ATOM 5424 N N . PHE A 1 323 ? -20.310 -3.785 -13.160 1.00 23.98 ? 313 PHE A N 1 -ATOM 5425 C CA . PHE A 1 323 ? -20.310 -4.833 -12.176 1.00 25.04 ? 313 PHE A CA 1 -ATOM 5426 C C . PHE A 1 323 ? -20.889 -4.409 -10.834 1.00 25.55 ? 313 PHE A C 1 -ATOM 5427 O O . PHE A 1 323 ? -21.292 -5.278 -10.057 1.00 31.70 ? 313 PHE A O 1 -ATOM 5428 C CB . PHE A 1 323 ? -18.858 -5.330 -11.995 1.00 31.16 ? 313 PHE A CB 1 -ATOM 5429 C CG . PHE A 1 323 ? -18.690 -6.807 -12.186 1.00 29.22 ? 313 PHE A CG 1 -ATOM 5430 C CD1 . PHE A 1 323 ? -19.032 -7.409 -13.373 1.00 33.80 ? 313 PHE A CD1 1 -ATOM 5431 C CD2 . PHE A 1 323 ? -18.142 -7.577 -11.188 1.00 32.48 ? 313 PHE A CD2 1 -ATOM 5432 C CE1 . PHE A 1 323 ? -18.870 -8.785 -13.528 1.00 36.76 ? 313 PHE A CE1 1 -ATOM 5433 C CE2 . PHE A 1 323 ? -17.981 -8.924 -11.345 1.00 40.01 ? 313 PHE A CE2 1 -ATOM 5434 C CZ . PHE A 1 323 ? -18.351 -9.517 -12.532 1.00 43.86 ? 313 PHE A CZ 1 -ATOM 5435 H H . PHE A 1 323 ? -19.542 -3.422 -13.294 1.00 28.78 ? 313 PHE A H 1 -ATOM 5436 H HA . PHE A 1 323 ? -20.861 -5.567 -12.489 1.00 30.04 ? 313 PHE A HA 1 -ATOM 5437 H HB2 . PHE A 1 323 ? -18.293 -4.883 -12.644 1.00 37.39 ? 313 PHE A HB2 1 -ATOM 5438 H HB3 . PHE A 1 323 ? -18.565 -5.114 -11.096 1.00 37.39 ? 313 PHE A HB3 1 -ATOM 5439 H HD1 . PHE A 1 323 ? -19.372 -6.899 -14.073 1.00 40.56 ? 313 PHE A HD1 1 -ATOM 5440 H HD2 . PHE A 1 323 ? -17.877 -7.175 -10.393 1.00 38.97 ? 313 PHE A HD2 1 -ATOM 5441 H HE1 . PHE A 1 323 ? -19.121 -9.195 -14.323 1.00 44.11 ? 313 PHE A HE1 1 -ATOM 5442 H HE2 . PHE A 1 323 ? -17.624 -9.437 -10.656 1.00 48.01 ? 313 PHE A HE2 1 -ATOM 5443 H HZ . PHE A 1 323 ? -18.241 -10.434 -12.643 1.00 52.63 ? 313 PHE A HZ 1 -ATOM 5444 N N . GLU A 1 324 ? -20.959 -3.110 -10.558 1.00 24.69 ? 314 GLU A N 1 -ATOM 5445 C CA . GLU A 1 324 ? -21.510 -2.624 -9.290 1.00 24.50 ? 314 GLU A CA 1 -ATOM 5446 C C . GLU A 1 324 ? -22.658 -1.640 -9.554 1.00 25.68 ? 314 GLU A C 1 -ATOM 5447 O O . GLU A 1 324 ? -22.822 -1.103 -10.658 1.00 24.92 ? 314 GLU A O 1 -ATOM 5448 C CB . GLU A 1 324 ? -20.437 -1.928 -8.438 1.00 27.86 ? 314 GLU A CB 1 -ATOM 5449 C CG . GLU A 1 324 ? -19.160 -2.751 -8.139 1.00 52.87 ? 314 GLU A CG 1 -ATOM 5450 C CD . GLU A 1 324 ? -19.422 -3.945 -7.245 1.00 83.51 ? 314 GLU A CD 1 -ATOM 5451 O OE1 . GLU A 1 324 ? -20.330 -3.856 -6.393 1.00 102.39 ? 314 GLU A OE1 1 -ATOM 5452 O OE2 . GLU A 1 324 ? -18.723 -4.974 -7.392 1.00 83.86 ? 314 GLU A OE2 1 -ATOM 5453 H H . GLU A 1 324 ? -20.694 -2.487 -11.088 1.00 29.63 ? 314 GLU A H 1 -ATOM 5454 H HA . GLU A 1 324 ? -21.859 -3.381 -8.793 1.00 29.40 ? 314 GLU A HA 1 -ATOM 5455 H HB2 . GLU A 1 324 ? -20.156 -1.124 -8.903 1.00 33.43 ? 314 GLU A HB2 1 -ATOM 5456 H HB3 . GLU A 1 324 ? -20.833 -1.695 -7.584 1.00 33.43 ? 314 GLU A HB3 1 -ATOM 5457 H HG2 . GLU A 1 324 ? -18.794 -3.079 -8.975 1.00 63.44 ? 314 GLU A HG2 1 -ATOM 5458 H HG3 . GLU A 1 324 ? -18.514 -2.180 -7.695 1.00 63.44 ? 314 GLU A HG3 1 -ATOM 5459 N N . LYS A 1 325 ? -23.476 -1.436 -8.531 1.00 25.65 ? 315 LYS A N 1 -ATOM 5460 C CA . LYS A 1 325 ? -24.557 -0.449 -8.595 1.00 25.72 ? 315 LYS A CA 1 -ATOM 5461 C C . LYS A 1 325 ? -24.026 0.953 -8.890 1.00 21.53 ? 315 LYS A C 1 -ATOM 5462 O O . LYS A 1 325 ? -22.887 1.295 -8.589 1.00 21.86 ? 315 LYS A O 1 -ATOM 5463 C CB . LYS A 1 325 ? -25.325 -0.440 -7.254 1.00 31.43 ? 315 LYS A CB 1 -ATOM 5464 C CG . LYS A 1 325 ? -24.549 0.060 -6.041 1.00 73.12 ? 315 LYS A CG 1 -ATOM 5465 C CD . LYS A 1 325 ? -25.355 -0.162 -4.756 1.00 65.48 ? 315 LYS A CD 1 -ATOM 5466 H H . LYS A 1 325 ? -23.431 -1.855 -7.781 1.00 30.78 ? 315 LYS A H 1 -ATOM 5467 H HA . LYS A 1 325 ? -25.163 -0.689 -9.313 1.00 30.86 ? 315 LYS A HA 1 -ATOM 5468 H HB2 . LYS A 1 325 ? -26.101 0.132 -7.353 1.00 37.72 ? 315 LYS A HB2 1 -ATOM 5469 H HB3 . LYS A 1 325 ? -25.605 -1.349 -7.059 1.00 37.72 ? 315 LYS A HB3 1 -ATOM 5470 H HG2 . LYS A 1 325 ? -23.712 -0.424 -5.969 1.00 87.74 ? 315 LYS A HG2 1 -ATOM 5471 H HG3 . LYS A 1 325 ? -24.376 1.010 -6.137 1.00 87.74 ? 315 LYS A HG3 1 -ATOM 5472 N N . ASP A 1 326 ? -24.868 1.794 -9.538 1.00 19.92 ? 316 ASP A N 1 -ATOM 5473 C CA . ASP A 1 326 ? -24.454 3.090 -10.013 1.00 18.30 ? 316 ASP A CA 1 -ATOM 5474 C C . ASP A 1 326 ? -24.228 4.137 -8.931 1.00 19.27 ? 316 ASP A C 1 -ATOM 5475 O O . ASP A 1 326 ? -23.816 5.241 -9.240 1.00 20.65 ? 316 ASP A O 1 -ATOM 5476 C CB . ASP A 1 326 ? -25.371 3.597 -11.129 1.00 17.69 ? 316 ASP A CB 1 -ATOM 5477 C CG . ASP A 1 326 ? -26.736 3.983 -10.663 1.00 18.65 ? 316 ASP A CG 1 -ATOM 5478 O OD1 . ASP A 1 326 ? -26.908 4.285 -9.447 1.00 21.16 ? 316 ASP A OD1 1 -ATOM 5479 O OD2 . ASP A 1 326 ? -27.682 4.022 -11.449 1.00 19.70 ? 316 ASP A OD2 1 -ATOM 5480 H H . ASP A 1 326 ? -25.692 1.615 -9.707 1.00 23.91 ? 316 ASP A H 1 -ATOM 5481 H HA . ASP A 1 326 ? -23.583 2.973 -10.423 1.00 21.96 ? 316 ASP A HA 1 -ATOM 5482 H HB2 . ASP A 1 326 ? -24.966 4.379 -11.535 1.00 21.23 ? 316 ASP A HB2 1 -ATOM 5483 H HB3 . ASP A 1 326 ? -25.473 2.895 -11.791 1.00 21.23 ? 316 ASP A HB3 1 -ATOM 5484 N N . THR A 1 327 ? -24.415 3.789 -7.668 1.00 20.47 ? 317 THR A N 1 -ATOM 5485 C CA . THR A 1 327 ? -24.059 4.685 -6.564 1.00 21.89 ? 317 THR A CA 1 -ATOM 5486 C C . THR A 1 327 ? -22.764 4.293 -5.893 1.00 24.01 ? 317 THR A C 1 -ATOM 5487 O O . THR A 1 327 ? -22.422 4.870 -4.856 1.00 23.85 ? 317 THR A O 1 -ATOM 5488 C CB . THR A 1 327 ? -25.153 4.702 -5.506 1.00 24.67 ? 317 THR A CB 1 -ATOM 5489 O OG1 . THR A 1 327 ? -25.482 3.363 -5.172 1.00 27.53 ? 317 THR A OG1 1 -ATOM 5490 C CG2 . THR A 1 327 ? -26.396 5.400 -6.009 1.00 25.25 ? 317 THR A CG2 1 -ATOM 5491 H H . THR A 1 327 ? -24.749 3.036 -7.417 1.00 24.57 ? 317 THR A H 1 -ATOM 5492 H HA . THR A 1 327 ? -23.971 5.576 -6.935 1.00 26.27 ? 317 THR A HA 1 -ATOM 5493 H HB . THR A 1 327 ? -24.837 5.183 -4.726 1.00 29.61 ? 317 THR A HB 1 -ATOM 5494 H HG1 . THR A 1 327 ? -26.102 3.352 -4.605 1.00 33.03 ? 317 THR A HG1 1 -ATOM 5495 H HG21 . THR A 1 327 ? -27.080 5.395 -5.322 1.00 30.30 ? 317 THR A HG21 1 -ATOM 5496 H HG22 . THR A 1 327 ? -26.190 6.319 -6.241 1.00 30.30 ? 317 THR A HG22 1 -ATOM 5497 H HG23 . THR A 1 327 ? -26.737 4.945 -6.796 1.00 30.30 ? 317 THR A HG23 1 -ATOM 5498 N N . ALA A 1 328 ? -22.009 3.370 -6.455 1.00 18.76 ? 318 ALA A N 1 -ATOM 5499 C CA . ALA A 1 328 ? -20.843 2.860 -5.758 1.00 19.62 ? 318 ALA A CA 1 -ATOM 5500 C C . ALA A 1 328 ? -19.644 3.769 -5.899 1.00 18.27 ? 318 ALA A C 1 -ATOM 5501 O O . ALA A 1 328 ? -18.714 3.686 -5.088 1.00 19.65 ? 318 ALA A O 1 -ATOM 5502 C CB . ALA A 1 328 ? -20.469 1.477 -6.311 1.00 26.21 ? 318 ALA A CB 1 -ATOM 5503 H H . ALA A 1 328 ? -22.148 3.024 -7.230 1.00 22.51 ? 318 ALA A H 1 -ATOM 5504 H HA . ALA A 1 328 ? -21.059 2.774 -4.817 1.00 23.55 ? 318 ALA A HA 1 -ATOM 5505 H HB1 . ALA A 1 328 ? -19.690 1.147 -5.836 1.00 31.46 ? 318 ALA A HB1 1 -ATOM 5506 H HB2 . ALA A 1 328 ? -21.216 0.872 -6.182 1.00 31.46 ? 318 ALA A HB2 1 -ATOM 5507 H HB3 . ALA A 1 328 ? -20.269 1.558 -7.257 1.00 31.46 ? 318 ALA A HB3 1 -ATOM 5508 N N . SER A 1 329 ? -19.561 4.622 -6.929 1.00 18.30 ? 319 SER A N 1 -ATOM 5509 C CA . SER A 1 329 ? -18.293 5.270 -7.242 1.00 17.23 ? 319 SER A CA 1 -ATOM 5510 C C . SER A 1 329 ? -17.842 6.284 -6.188 1.00 17.17 ? 319 SER A C 1 -ATOM 5511 O O . SER A 1 329 ? -16.639 6.365 -5.917 1.00 17.99 ? 319 SER A O 1 -ATOM 5512 C CB . SER A 1 329 ? -18.312 5.978 -8.581 1.00 16.69 ? 319 SER A CB 1 -ATOM 5513 O OG . SER A 1 329 ? -19.320 6.988 -8.530 1.00 19.34 ? 319 SER A OG 1 -ATOM 5514 H H . SER A 1 329 ? -20.214 4.836 -7.447 1.00 21.96 ? 319 SER A H 1 -ATOM 5515 H HA . SER A 1 329 ? -17.657 4.539 -7.279 1.00 20.67 ? 319 SER A HA 1 -ATOM 5516 H HB2 . SER A 1 329 ? -17.448 6.387 -8.747 1.00 20.03 ? 319 SER A HB2 1 -ATOM 5517 H HB3 . SER A 1 329 ? -18.519 5.344 -9.284 1.00 20.03 ? 319 SER A HB3 1 -ATOM 5518 H HG . SER A 1 329 ? -19.361 7.390 -9.267 1.00 23.20 ? 319 SER A HG 1 -ATOM 5519 N N . ILE A 1 330 ? -18.751 7.058 -5.601 1.00 17.95 ? 320 ILE A N 1 -ATOM 5520 C CA . ILE A 1 330 ? -18.299 8.056 -4.626 1.00 16.79 ? 320 ILE A CA 1 -ATOM 5521 C C . ILE A 1 330 ? -17.751 7.360 -3.392 1.00 18.68 ? 320 ILE A C 1 -ATOM 5522 O O . ILE A 1 330 ? -16.625 7.670 -2.977 1.00 17.76 ? 320 ILE A O 1 -ATOM 5523 C CB . ILE A 1 330 ? -19.393 9.109 -4.365 1.00 17.50 ? 320 ILE A CB 1 -ATOM 5524 C CG1 . ILE A 1 330 ? -19.606 9.965 -5.622 1.00 17.26 ? 320 ILE A CG1 1 -ATOM 5525 C CG2 . ILE A 1 330 ? -18.974 10.004 -3.216 1.00 19.47 ? 320 ILE A CG2 1 -ATOM 5526 C CD1 . ILE A 1 330 ? -20.823 10.857 -5.525 1.00 18.92 ? 320 ILE A CD1 1 -ATOM 5527 H H . ILE A 1 330 ? -19.599 7.028 -5.743 1.00 21.54 ? 320 ILE A H 1 -ATOM 5528 H HA . ILE A 1 330 ? -17.541 8.549 -4.978 1.00 20.15 ? 320 ILE A HA 1 -ATOM 5529 H HB . ILE A 1 330 ? -20.219 8.653 -4.142 1.00 21.00 ? 320 ILE A HB 1 -ATOM 5530 H HG12 . ILE A 1 330 ? -18.829 10.531 -5.754 1.00 20.71 ? 320 ILE A HG12 1 -ATOM 5531 H HG13 . ILE A 1 330 ? -19.723 9.380 -6.386 1.00 20.71 ? 320 ILE A HG13 1 -ATOM 5532 H HG21 . ILE A 1 330 ? -19.580 10.759 -3.166 1.00 23.37 ? 320 ILE A HG21 1 -ATOM 5533 H HG22 . ILE A 1 330 ? -19.011 9.496 -2.390 1.00 23.37 ? 320 ILE A HG22 1 -ATOM 5534 H HG23 . ILE A 1 330 ? -18.069 10.316 -3.372 1.00 23.37 ? 320 ILE A HG23 1 -ATOM 5535 H HD11 . ILE A 1 330 ? -21.021 11.218 -6.404 1.00 22.71 ? 320 ILE A HD11 1 -ATOM 5536 H HD12 . ILE A 1 330 ? -21.575 10.333 -5.206 1.00 22.71 ? 320 ILE A HD12 1 -ATOM 5537 H HD13 . ILE A 1 330 ? -20.637 11.580 -4.905 1.00 22.71 ? 320 ILE A HD13 1 -ATOM 5538 N N . PRO A 1 331 ? -18.468 6.397 -2.778 1.00 18.49 ? 321 PRO A N 1 -ATOM 5539 C CA . PRO A 1 331 ? -17.845 5.670 -1.650 1.00 18.55 ? 321 PRO A CA 1 -ATOM 5540 C C . PRO A 1 331 ? -16.558 4.984 -2.046 1.00 20.00 ? 321 PRO A C 1 -ATOM 5541 O O . PRO A 1 331 ? -15.611 4.912 -1.243 1.00 21.27 ? 321 PRO A O 1 -ATOM 5542 C CB . PRO A 1 331 ? -18.927 4.668 -1.240 1.00 23.13 ? 321 PRO A CB 1 -ATOM 5543 C CG . PRO A 1 331 ? -20.183 5.237 -1.751 1.00 24.74 ? 321 PRO A CG 1 -ATOM 5544 C CD . PRO A 1 331 ? -19.890 6.048 -2.958 1.00 18.85 ? 321 PRO A CD 1 -ATOM 5545 H HA . PRO A 1 331 ? -17.679 6.270 -0.906 1.00 22.26 ? 321 PRO A HA 1 -ATOM 5546 H HB2 . PRO A 1 331 ? -18.747 3.805 -1.643 1.00 27.76 ? 321 PRO A HB2 1 -ATOM 5547 H HB3 . PRO A 1 331 ? -18.951 4.585 -0.274 1.00 27.76 ? 321 PRO A HB3 1 -ATOM 5548 H HG2 . PRO A 1 331 ? -20.787 4.512 -1.977 1.00 29.69 ? 321 PRO A HG2 1 -ATOM 5549 H HG3 . PRO A 1 331 ? -20.578 5.796 -1.063 1.00 29.69 ? 321 PRO A HG3 1 -ATOM 5550 H HD2 . PRO A 1 331 ? -20.020 5.527 -3.766 1.00 22.62 ? 321 PRO A HD2 1 -ATOM 5551 H HD3 . PRO A 1 331 ? -20.443 6.845 -2.984 1.00 22.62 ? 321 PRO A HD3 1 -ATOM 5552 N N A SER A 1 332 ? -16.507 4.448 -3.256 0.56 19.79 ? 322 SER A N 1 -ATOM 5553 N N B SER A 1 332 ? -16.441 4.496 -3.281 0.44 20.37 ? 322 SER A N 1 -ATOM 5554 C CA A SER A 1 332 ? -15.303 3.768 -3.692 0.56 20.98 ? 322 SER A CA 1 -ATOM 5555 C CA B SER A 1 332 ? -15.237 3.759 -3.674 0.44 19.27 ? 322 SER A CA 1 -ATOM 5556 C C A SER A 1 332 ? -14.123 4.718 -3.647 0.56 23.17 ? 322 SER A C 1 -ATOM 5557 C C B SER A 1 332 ? -14.028 4.680 -3.830 0.44 16.26 ? 322 SER A C 1 -ATOM 5558 O O A SER A 1 332 ? -13.097 4.395 -3.022 0.56 20.90 ? 322 SER A O 1 -ATOM 5559 O O B SER A 1 332 ? -12.874 4.295 -3.549 0.44 15.88 ? 322 SER A O 1 -ATOM 5560 C CB A SER A 1 332 ? -15.463 3.204 -5.099 0.56 24.07 ? 322 SER A CB 1 -ATOM 5561 C CB B SER A 1 332 ? -15.483 3.030 -4.989 0.44 21.20 ? 322 SER A CB 1 -ATOM 5562 O OG A SER A 1 332 ? -14.279 2.531 -5.479 0.56 23.29 ? 322 SER A OG 1 -ATOM 5563 O OG B SER A 1 332 ? -16.397 1.978 -4.789 0.44 28.67 ? 322 SER A OG 1 -ATOM 5564 H H A SER A 1 332 ? -17.146 4.463 -3.832 0.56 23.75 ? 322 SER A H 1 -ATOM 5565 H H B SER A 1 332 ? -17.033 4.574 -3.900 0.44 24.44 ? 322 SER A H 1 -ATOM 5566 H HA A SER A 1 332 ? -15.144 3.020 -3.096 0.56 25.17 ? 322 SER A HA 1 -ATOM 5567 H HA B SER A 1 332 ? -15.041 3.113 -2.977 0.44 23.12 ? 322 SER A HA 1 -ATOM 5568 H HB2 A SER A 1 332 ? -16.205 2.580 -5.112 0.56 28.88 ? 322 SER A HB2 1 -ATOM 5569 H HB2 B SER A 1 332 ? -15.850 3.653 -5.636 0.44 25.44 ? 322 SER A HB2 1 -ATOM 5570 H HB3 A SER A 1 332 ? -15.631 3.932 -5.719 0.56 28.88 ? 322 SER A HB3 1 -ATOM 5571 H HB3 B SER A 1 332 ? -14.645 2.667 -5.315 0.44 25.44 ? 322 SER A HB3 1 -ATOM 5572 H HG A SER A 1 332 ? -14.361 2.221 -6.255 0.56 27.94 ? 322 SER A HG 1 -ATOM 5573 H HG B SER A 1 332 ? -17.134 2.283 -4.525 0.44 34.40 ? 322 SER A HG 1 -ATOM 5574 N N . VAL A 1 333 ? -14.249 5.892 -4.303 1.00 18.49 ? 323 VAL A N 1 -ATOM 5575 C CA . VAL A 1 333 ? -13.124 6.833 -4.349 1.00 18.01 ? 323 VAL A CA 1 -ATOM 5576 C C . VAL A 1 333 ? -12.791 7.329 -2.952 1.00 18.58 ? 323 VAL A C 1 -ATOM 5577 O O . VAL A 1 333 ? -11.620 7.585 -2.675 1.00 18.77 ? 323 VAL A O 1 -ATOM 5578 C CB . VAL A 1 333 ? -13.245 7.971 -5.382 1.00 17.37 ? 323 VAL A CB 1 -ATOM 5579 C CG1 . VAL A 1 333 ? -13.410 7.427 -6.784 1.00 19.45 ? 323 VAL A CG1 1 -ATOM 5580 C CG2 . VAL A 1 333 ? -14.297 8.915 -5.053 1.00 19.52 ? 323 VAL A CG2 1 -ATOM 5581 H H A VAL A 1 333 ? -14.957 6.154 -4.715 0.56 22.18 ? 323 VAL A H 1 -ATOM 5582 H H B VAL A 1 333 ? -15.002 6.190 -4.592 0.44 22.18 ? 323 VAL A H 1 -ATOM 5583 H HA . VAL A 1 333 ? -12.375 6.320 -4.692 1.00 21.61 ? 323 VAL A HA 1 -ATOM 5584 H HB . VAL A 1 333 ? -12.413 8.469 -5.354 1.00 20.84 ? 323 VAL A HB 1 -ATOM 5585 H HG11 . VAL A 1 333 ? -13.461 8.169 -7.407 1.00 23.34 ? 323 VAL A HG11 1 -ATOM 5586 H HG12 . VAL A 1 333 ? -12.647 6.868 -6.998 1.00 23.34 ? 323 VAL A HG12 1 -ATOM 5587 H HG13 . VAL A 1 333 ? -14.226 6.904 -6.826 1.00 23.34 ? 323 VAL A HG13 1 -ATOM 5588 H HG21 . VAL A 1 333 ? -14.403 9.539 -5.788 1.00 23.42 ? 323 VAL A HG21 1 -ATOM 5589 H HG22 . VAL A 1 333 ? -15.124 8.429 -4.909 1.00 23.42 ? 323 VAL A HG22 1 -ATOM 5590 H HG23 . VAL A 1 333 ? -14.050 9.394 -4.246 1.00 23.42 ? 323 VAL A HG23 1 -ATOM 5591 N N . MET A 1 334 ? -13.763 7.470 -2.070 1.00 18.53 ? 324 MET A N 1 -ATOM 5592 C CA A MET A 1 334 ? -13.414 7.850 -0.705 0.69 21.48 ? 324 MET A CA 1 -ATOM 5593 C CA B MET A 1 334 ? -13.446 7.833 -0.687 0.31 14.97 ? 324 MET A CA 1 -ATOM 5594 C C . MET A 1 334 ? -12.542 6.794 -0.038 1.00 20.99 ? 324 MET A C 1 -ATOM 5595 O O . MET A 1 334 ? -11.567 7.134 0.663 1.00 20.29 ? 324 MET A O 1 -ATOM 5596 C CB A MET A 1 334 ? -14.684 8.131 0.089 0.69 25.64 ? 324 MET A CB 1 -ATOM 5597 C CB B MET A 1 334 ? -14.738 7.951 0.121 0.31 15.87 ? 324 MET A CB 1 -ATOM 5598 C CG A MET A 1 334 ? -15.387 9.377 -0.412 0.69 20.52 ? 324 MET A CG 1 -ATOM 5599 C CG B MET A 1 334 ? -15.628 9.090 -0.286 0.31 23.18 ? 324 MET A CG 1 -ATOM 5600 S SD A MET A 1 334 ? -16.930 9.689 0.457 0.69 25.19 ? 324 MET A SD 1 -ATOM 5601 S SD B MET A 1 334 ? -15.039 10.637 0.414 0.31 29.02 ? 324 MET A SD 1 -ATOM 5602 C CE A MET A 1 334 ? -17.375 11.339 -0.101 0.69 27.29 ? 324 MET A CE 1 -ATOM 5603 C CE B MET A 1 334 ? -16.506 11.662 0.169 0.31 28.71 ? 324 MET A CE 1 -ATOM 5604 H H A MET A 1 334 ? -14.602 7.358 -2.224 0.69 22.23 ? 324 MET A H 1 -ATOM 5605 H H B MET A 1 334 ? -14.601 7.366 -2.234 0.31 22.23 ? 324 MET A H 1 -ATOM 5606 H HA A MET A 1 334 ? -12.903 8.675 -0.724 0.69 25.78 ? 324 MET A HA 1 -ATOM 5607 H HA B MET A 1 334 ? -12.996 8.693 -0.693 0.31 17.97 ? 324 MET A HA 1 -ATOM 5608 H HB2 A MET A 1 334 ? -15.291 7.380 -0.001 0.69 30.77 ? 324 MET A HB2 1 -ATOM 5609 H HB2 B MET A 1 334 ? -15.244 7.131 0.014 0.31 19.05 ? 324 MET A HB2 1 -ATOM 5610 H HB3 A MET A 1 334 ? -14.456 8.262 1.023 0.69 30.77 ? 324 MET A HB3 1 -ATOM 5611 H HB3 B MET A 1 334 ? -14.507 8.080 1.054 0.31 19.05 ? 324 MET A HB3 1 -ATOM 5612 H HG2 A MET A 1 334 ? -14.807 10.143 -0.280 0.69 24.62 ? 324 MET A HG2 1 -ATOM 5613 H HG2 B MET A 1 334 ? -15.631 9.170 -1.253 0.31 27.81 ? 324 MET A HG2 1 -ATOM 5614 H HG3 A MET A 1 334 ? -15.587 9.271 -1.355 0.69 24.62 ? 324 MET A HG3 1 -ATOM 5615 H HG3 B MET A 1 334 ? -16.528 8.929 0.036 0.31 27.81 ? 324 MET A HG3 1 -ATOM 5616 H HE1 A MET A 1 334 ? -18.197 11.610 0.339 0.69 32.75 ? 324 MET A HE1 1 -ATOM 5617 H HE1 B MET A 1 334 ? -16.331 12.551 0.514 0.31 34.45 ? 324 MET A HE1 1 -ATOM 5618 H HE2 A MET A 1 334 ? -16.660 11.953 0.128 0.69 32.75 ? 324 MET A HE2 1 -ATOM 5619 H HE2 B MET A 1 334 ? -16.705 11.708 -0.779 0.31 34.45 ? 324 MET A HE2 1 -ATOM 5620 H HE3 A MET A 1 334 ? -17.504 11.324 -1.062 0.69 32.75 ? 324 MET A HE3 1 -ATOM 5621 H HE3 B MET A 1 334 ? -17.252 11.264 0.645 0.31 34.45 ? 324 MET A HE3 1 -ATOM 5622 N N . LYS A 1 335 ? -12.847 5.511 -0.254 1.00 20.22 ? 325 LYS A N 1 -ATOM 5623 C CA . LYS A 1 335 ? -12.030 4.446 0.314 1.00 22.90 ? 325 LYS A CA 1 -ATOM 5624 C C . LYS A 1 335 ? -10.635 4.482 -0.285 1.00 22.31 ? 325 LYS A C 1 -ATOM 5625 O O . LYS A 1 335 ? -9.636 4.319 0.438 1.00 22.09 ? 325 LYS A O 1 -ATOM 5626 C CB . LYS A 1 335 ? -12.700 3.096 0.034 1.00 25.33 ? 325 LYS A CB 1 -ATOM 5627 C CG . LYS A 1 335 ? -11.947 1.889 0.528 1.00 32.77 ? 325 LYS A CG 1 -ATOM 5628 H H . LYS A 1 335 ? -13.515 5.236 -0.721 1.00 24.27 ? 325 LYS A H 1 -ATOM 5629 H HA . LYS A 1 335 ? -11.956 4.558 1.275 1.00 27.48 ? 325 LYS A HA 1 -ATOM 5630 H HB2 . LYS A 1 335 ? -13.570 3.091 0.464 1.00 30.39 ? 325 LYS A HB2 1 -ATOM 5631 H HB3 . LYS A 1 335 ? -12.804 3.000 -0.926 1.00 30.39 ? 325 LYS A HB3 1 -ATOM 5632 N N . MET A 1 336 ? -10.546 4.692 -1.601 1.00 20.03 ? 326 MET A N 1 -ATOM 5633 C CA A MET A 1 336 ? -9.263 4.790 -2.283 0.62 20.74 ? 326 MET A CA 1 -ATOM 5634 C CA B MET A 1 336 ? -9.250 4.753 -2.241 0.38 20.43 ? 326 MET A CA 1 -ATOM 5635 C C . MET A 1 336 ? -8.407 5.883 -1.669 1.00 20.03 ? 326 MET A C 1 -ATOM 5636 O O . MET A 1 336 ? -7.208 5.697 -1.410 1.00 19.47 ? 326 MET A O 1 -ATOM 5637 C CB A MET A 1 336 ? -9.502 5.092 -3.768 0.62 25.45 ? 326 MET A CB 1 -ATOM 5638 C CB B MET A 1 336 ? -9.451 4.905 -3.737 0.38 18.49 ? 326 MET A CB 1 -ATOM 5639 C CG A MET A 1 336 ? -8.246 5.553 -4.552 0.62 19.96 ? 326 MET A CG 1 -ATOM 5640 C CG B MET A 1 336 ? -8.176 4.822 -4.524 0.38 20.42 ? 326 MET A CG 1 -ATOM 5641 S SD A MET A 1 336 ? -8.430 6.191 -6.230 0.62 21.73 ? 326 MET A SD 1 -ATOM 5642 S SD B MET A 1 336 ? -7.444 6.436 -4.523 0.38 23.72 ? 326 MET A SD 1 -ATOM 5643 C CE A MET A 1 336 ? -9.641 5.062 -6.936 0.62 20.91 ? 326 MET A CE 1 -ATOM 5644 C CE B MET A 1 336 ? -8.370 7.271 -5.805 0.38 37.75 ? 326 MET A CE 1 -ATOM 5645 H H A MET A 1 336 ? -11.223 4.782 -2.124 0.62 24.03 ? 326 MET A H 1 -ATOM 5646 H H B MET A 1 336 ? -11.215 4.800 -2.130 0.38 24.03 ? 326 MET A H 1 -ATOM 5647 H HA A MET A 1 336 ? -8.801 3.941 -2.206 0.62 24.89 ? 326 MET A HA 1 -ATOM 5648 H HA B MET A 1 336 ? -8.768 3.925 -2.089 0.38 24.51 ? 326 MET A HA 1 -ATOM 5649 H HB2 A MET A 1 336 ? -9.833 4.287 -4.196 0.62 30.53 ? 326 MET A HB2 1 -ATOM 5650 H HB2 B MET A 1 336 ? -10.038 4.198 -4.047 0.38 22.19 ? 326 MET A HB2 1 -ATOM 5651 H HB3 A MET A 1 336 ? -10.163 5.800 -3.835 0.62 30.53 ? 326 MET A HB3 1 -ATOM 5652 H HB3 B MET A 1 336 ? -9.852 5.770 -3.912 0.38 22.19 ? 326 MET A HB3 1 -ATOM 5653 H HG2 A MET A 1 336 ? -7.827 6.261 -4.037 0.62 23.95 ? 326 MET A HG2 1 -ATOM 5654 H HG2 B MET A 1 336 ? -7.566 4.191 -4.110 0.38 24.50 ? 326 MET A HG2 1 -ATOM 5655 H HG3 A MET A 1 336 ? -7.649 4.791 -4.615 0.62 23.95 ? 326 MET A HG3 1 -ATOM 5656 H HG3 B MET A 1 336 ? -8.362 4.553 -5.437 0.38 24.50 ? 326 MET A HG3 1 -ATOM 5657 H HE1 A MET A 1 336 ? -9.786 5.295 -7.866 0.62 25.09 ? 326 MET A HE1 1 -ATOM 5658 H HE1 B MET A 1 336 ? -8.287 8.230 -5.682 0.38 45.30 ? 326 MET A HE1 1 -ATOM 5659 H HE2 A MET A 1 336 ? -9.303 4.155 -6.872 0.62 25.09 ? 326 MET A HE2 1 -ATOM 5660 H HE2 B MET A 1 336 ? -8.012 7.017 -6.670 0.38 45.30 ? 326 MET A HE2 1 -ATOM 5661 H HE3 A MET A 1 336 ? -10.472 5.140 -6.442 0.62 25.09 ? 326 MET A HE3 1 -ATOM 5662 H HE3 B MET A 1 336 ? -9.302 7.009 -5.743 0.38 45.30 ? 326 MET A HE3 1 -ATOM 5663 N N . ILE A 1 337 ? -9.008 7.045 -1.456 1.00 19.30 ? 327 ILE A N 1 -ATOM 5664 C CA . ILE A 1 337 ? -8.285 8.185 -0.919 1.00 18.29 ? 327 ILE A CA 1 -ATOM 5665 C C . ILE A 1 337 ? -7.766 7.862 0.474 1.00 19.67 ? 327 ILE A C 1 -ATOM 5666 O O . ILE A 1 337 ? -6.630 8.168 0.795 1.00 18.65 ? 327 ILE A O 1 -ATOM 5667 C CB . ILE A 1 337 ? -9.208 9.411 -0.940 1.00 17.99 ? 327 ILE A CB 1 -ATOM 5668 C CG1 . ILE A 1 337 ? -9.442 9.865 -2.396 1.00 17.99 ? 327 ILE A CG1 1 -ATOM 5669 C CG2 . ILE A 1 337 ? -8.632 10.553 -0.081 1.00 19.21 ? 327 ILE A CG2 1 -ATOM 5670 C CD1 . ILE A 1 337 ? -10.619 10.882 -2.515 1.00 20.05 ? 327 ILE A CD1 1 -ATOM 5671 H H . ILE A 1 337 ? -9.839 7.201 -1.615 1.00 23.17 ? 327 ILE A H 1 -ATOM 5672 H HA . ILE A 1 337 ? -7.511 8.381 -1.470 1.00 21.95 ? 327 ILE A HA 1 -ATOM 5673 H HB . ILE A 1 337 ? -10.063 9.163 -0.555 1.00 21.58 ? 327 ILE A HB 1 -ATOM 5674 H HG12 . ILE A 1 337 ? -8.638 10.293 -2.729 1.00 21.59 ? 327 ILE A HG12 1 -ATOM 5675 H HG13 . ILE A 1 337 ? -9.656 9.091 -2.940 1.00 21.59 ? 327 ILE A HG13 1 -ATOM 5676 H HG21 . ILE A 1 337 ? -9.140 11.362 -0.248 1.00 23.05 ? 327 ILE A HG21 1 -ATOM 5677 H HG22 . ILE A 1 337 ? -8.699 10.308 0.856 1.00 23.05 ? 327 ILE A HG22 1 -ATOM 5678 H HG23 . ILE A 1 337 ? -7.702 10.691 -0.321 1.00 23.05 ? 327 ILE A HG23 1 -ATOM 5679 H HD11 . ILE A 1 337 ? -10.795 11.052 -3.453 1.00 24.05 ? 327 ILE A HD11 1 -ATOM 5680 H HD12 . ILE A 1 337 ? -11.407 10.504 -2.094 1.00 24.05 ? 327 ILE A HD12 1 -ATOM 5681 H HD13 . ILE A 1 337 ? -10.369 11.707 -2.070 1.00 24.05 ? 327 ILE A HD13 1 -ATOM 5682 N N . GLU A 1 338 ? -8.599 7.222 1.290 1.00 18.09 ? 328 GLU A N 1 -ATOM 5683 C CA A GLU A 1 338 ? -8.161 6.822 2.623 0.49 18.56 ? 328 GLU A CA 1 -ATOM 5684 C CA B GLU A 1 338 ? -8.173 6.811 2.624 0.51 21.87 ? 328 GLU A CA 1 -ATOM 5685 C C . GLU A 1 338 ? -7.008 5.837 2.553 1.00 20.24 ? 328 GLU A C 1 -ATOM 5686 O O . GLU A 1 338 ? -6.016 5.979 3.281 1.00 22.46 ? 328 GLU A O 1 -ATOM 5687 C CB A GLU A 1 338 ? -9.353 6.201 3.355 0.49 22.80 ? 328 GLU A CB 1 -ATOM 5688 C CB B GLU A 1 338 ? -9.380 6.172 3.317 0.51 19.89 ? 328 GLU A CB 1 -ATOM 5689 C CG A GLU A 1 338 ? -9.003 5.668 4.756 0.49 25.23 ? 328 GLU A CG 1 -ATOM 5690 C CG B GLU A 1 338 ? -9.169 5.913 4.809 0.51 49.54 ? 328 GLU A CG 1 -ATOM 5691 C CD A GLU A 1 338 ? -8.568 6.758 5.711 0.49 58.17 ? 328 GLU A CD 1 -ATOM 5692 C CD B GLU A 1 338 ? -10.416 5.351 5.486 0.51 43.61 ? 328 GLU A CD 1 -ATOM 5693 O OE1 A GLU A 1 338 ? -9.030 7.909 5.557 0.49 48.71 ? 328 GLU A OE1 1 -ATOM 5694 O OE1 B GLU A 1 338 ? -10.936 4.302 5.047 0.51 38.63 ? 328 GLU A OE1 1 -ATOM 5695 O OE2 A GLU A 1 338 ? -7.769 6.464 6.628 0.49 62.69 ? 328 GLU A OE2 1 -ATOM 5696 O OE2 B GLU A 1 338 ? -10.891 5.979 6.445 0.51 47.80 ? 328 GLU A OE2 1 -ATOM 5697 H H A GLU A 1 338 ? -9.411 7.011 1.101 0.49 21.70 ? 328 GLU A H 1 -ATOM 5698 H H B GLU A 1 338 ? -9.411 7.015 1.098 0.51 21.70 ? 328 GLU A H 1 -ATOM 5699 H HA A GLU A 1 338 ? -7.850 7.598 3.114 0.49 22.27 ? 328 GLU A HA 1 -ATOM 5700 H HA B GLU A 1 338 ? -7.872 7.578 3.136 0.51 26.24 ? 328 GLU A HA 1 -ATOM 5701 H HB2 A GLU A 1 338 ? -10.042 6.876 3.458 0.49 27.36 ? 328 GLU A HB2 1 -ATOM 5702 H HB2 B GLU A 1 338 ? -10.142 6.764 3.224 0.51 23.87 ? 328 GLU A HB2 1 -ATOM 5703 H HB3 A GLU A 1 338 ? -9.690 5.459 2.830 0.49 27.36 ? 328 GLU A HB3 1 -ATOM 5704 H HB3 B GLU A 1 338 ? -9.567 5.320 2.892 0.51 23.87 ? 328 GLU A HB3 1 -ATOM 5705 H HG2 A GLU A 1 338 ? -9.784 5.234 5.132 0.49 30.27 ? 328 GLU A HG2 1 -ATOM 5706 H HG2 B GLU A 1 338 ? -8.450 5.271 4.922 0.51 59.45 ? 328 GLU A HG2 1 -ATOM 5707 H HG3 A GLU A 1 338 ? -8.275 5.031 4.678 0.49 30.27 ? 328 GLU A HG3 1 -ATOM 5708 H HG3 B GLU A 1 338 ? -8.939 6.748 5.247 0.51 59.45 ? 328 GLU A HG3 1 -ATOM 5709 N N . LEU A 1 339 ? -7.100 4.842 1.668 1.00 22.68 ? 329 LEU A N 1 -ATOM 5710 C CA . LEU A 1 339 ? -6.038 3.845 1.535 1.00 24.70 ? 329 LEU A CA 1 -ATOM 5711 C C . LEU A 1 339 ? -4.731 4.460 1.075 1.00 24.00 ? 329 LEU A C 1 -ATOM 5712 O O . LEU A 1 339 ? -3.659 3.939 1.408 1.00 25.64 ? 329 LEU A O 1 -ATOM 5713 C CB . LEU A 1 339 ? -6.485 2.778 0.533 1.00 32.43 ? 329 LEU A CB 1 -ATOM 5714 C CG . LEU A 1 339 ? -7.118 1.491 1.054 1.00 44.48 ? 329 LEU A CG 1 -ATOM 5715 C CD1 . LEU A 1 339 ? -8.080 1.722 2.179 1.00 74.73 ? 329 LEU A CD1 1 -ATOM 5716 C CD2 . LEU A 1 339 ? -7.807 0.758 -0.095 1.00 66.42 ? 329 LEU A CD2 1 -ATOM 5717 H H . LEU A 1 339 ? -7.765 4.721 1.135 1.00 27.22 ? 329 LEU A H 1 -ATOM 5718 H HA . LEU A 1 339 ? -5.882 3.434 2.399 1.00 29.64 ? 329 LEU A HA 1 -ATOM 5719 H HB2 . LEU A 1 339 ? -7.141 3.187 -0.054 1.00 38.92 ? 329 LEU A HB2 1 -ATOM 5720 H HB3 . LEU A 1 339 ? -5.704 2.512 0.024 1.00 38.92 ? 329 LEU A HB3 1 -ATOM 5721 H HG . LEU A 1 339 ? -6.409 0.937 1.418 1.00 53.37 ? 329 LEU A HG 1 -ATOM 5722 H HD11 . LEU A 1 339 ? -8.542 0.893 2.375 1.00 89.68 ? 329 LEU A HD11 1 -ATOM 5723 H HD12 . LEU A 1 339 ? -7.586 2.018 2.960 1.00 89.68 ? 329 LEU A HD12 1 -ATOM 5724 H HD13 . LEU A 1 339 ? -8.718 2.403 1.913 1.00 89.68 ? 329 LEU A HD13 1 -ATOM 5725 H HD21 . LEU A 1 339 ? -8.174 -0.076 0.237 1.00 79.70 ? 329 LEU A HD21 1 -ATOM 5726 H HD22 . LEU A 1 339 ? -8.518 1.317 -0.444 1.00 79.70 ? 329 LEU A HD22 1 -ATOM 5727 H HD23 . LEU A 1 339 ? -7.155 0.579 -0.791 1.00 79.70 ? 329 LEU A HD23 1 -ATOM 5728 N N . LEU A 1 340 ? -4.766 5.520 0.275 1.00 20.26 ? 330 LEU A N 1 -ATOM 5729 C CA . LEU A 1 340 ? -3.580 6.235 -0.118 1.00 20.09 ? 330 LEU A CA 1 -ATOM 5730 C C . LEU A 1 340 ? -2.964 7.045 0.997 1.00 23.93 ? 330 LEU A C 1 -ATOM 5731 O O . LEU A 1 340 ? -1.873 7.597 0.806 1.00 25.33 ? 330 LEU A O 1 -ATOM 5732 C CB . LEU A 1 340 ? -3.881 7.178 -1.287 1.00 21.81 ? 330 LEU A CB 1 -ATOM 5733 C CG . LEU A 1 340 ? -4.106 6.543 -2.650 1.00 23.45 ? 330 LEU A CG 1 -ATOM 5734 C CD1 . LEU A 1 340 ? -4.530 7.631 -3.600 1.00 26.12 ? 330 LEU A CD1 1 -ATOM 5735 C CD2 . LEU A 1 340 ? -2.864 5.840 -3.148 1.00 33.15 ? 330 LEU A CD2 1 -ATOM 5736 H H . LEU A 1 340 ? -5.488 5.847 -0.058 1.00 24.31 ? 330 LEU A H 1 -ATOM 5737 H HA . LEU A 1 340 ? -2.934 5.573 -0.409 1.00 24.11 ? 330 LEU A HA 1 -ATOM 5738 H HB2 . LEU A 1 340 ? -4.686 7.675 -1.070 1.00 26.18 ? 330 LEU A HB2 1 -ATOM 5739 H HB3 . LEU A 1 340 ? -3.131 7.787 -1.379 1.00 26.18 ? 330 LEU A HB3 1 -ATOM 5740 H HG . LEU A 1 340 ? -4.796 5.864 -2.594 1.00 28.14 ? 330 LEU A HG 1 -ATOM 5741 H HD11 . LEU A 1 340 ? -4.661 7.247 -4.481 1.00 31.35 ? 330 LEU A HD11 1 -ATOM 5742 H HD12 . LEU A 1 340 ? -5.359 8.023 -3.283 1.00 31.35 ? 330 LEU A HD12 1 -ATOM 5743 H HD13 . LEU A 1 340 ? -3.836 8.308 -3.634 1.00 31.35 ? 330 LEU A HD13 1 -ATOM 5744 H HD21 . LEU A 1 340 ? -3.001 5.571 -4.070 1.00 39.78 ? 330 LEU A HD21 1 -ATOM 5745 H HD22 . LEU A 1 340 ? -2.111 6.449 -3.090 1.00 39.78 ? 330 LEU A HD22 1 -ATOM 5746 H HD23 . LEU A 1 340 ? -2.700 5.059 -2.597 1.00 39.78 ? 330 LEU A HD23 1 -ATOM 5747 N N . GLY A 1 341 ? -3.664 7.173 2.104 1.00 20.69 ? 331 GLY A N 1 -ATOM 5748 C CA . GLY A 1 341 ? -3.216 8.058 3.153 1.00 24.01 ? 331 GLY A CA 1 -ATOM 5749 C C . GLY A 1 341 ? -3.469 9.524 2.886 1.00 24.24 ? 331 GLY A C 1 -ATOM 5750 O O . GLY A 1 341 ? -2.822 10.375 3.503 1.00 24.99 ? 331 GLY A O 1 -ATOM 5751 H H . GLY A 1 341 ? -4.400 6.761 2.271 1.00 24.83 ? 331 GLY A H 1 -ATOM 5752 H HA2 . GLY A 1 341 ? -3.673 7.822 3.976 1.00 28.81 ? 331 GLY A HA2 1 -ATOM 5753 H HA3 . GLY A 1 341 ? -2.262 7.938 3.276 1.00 28.81 ? 331 GLY A HA3 1 -ATOM 5754 N N . ARG A 1 342 ? -4.407 9.849 1.986 1.00 18.06 ? 332 ARG A N 1 -ATOM 5755 C CA . ARG A 1 342 ? -4.792 11.208 1.636 1.00 17.23 ? 332 ARG A CA 1 -ATOM 5756 C C . ARG A 1 342 ? -6.087 11.560 2.356 1.00 18.87 ? 332 ARG A C 1 -ATOM 5757 O O . ARG A 1 342 ? -6.624 10.763 3.128 1.00 19.51 ? 332 ARG A O 1 -ATOM 5758 C CB . ARG A 1 342 ? -4.869 11.271 0.104 1.00 17.03 ? 332 ARG A CB 1 -ATOM 5759 C CG . ARG A 1 342 ? -3.544 10.963 -0.586 1.00 17.71 ? 332 ARG A CG 1 -ATOM 5760 C CD . ARG A 1 342 ? -2.668 12.154 -0.711 1.00 16.95 ? 332 ARG A CD 1 -ATOM 5761 N NE . ARG A 1 342 ? -2.902 12.984 -1.895 1.00 16.64 ? 332 ARG A NE 1 -ATOM 5762 C CZ . ARG A 1 342 ? -2.532 12.640 -3.120 1.00 17.28 ? 332 ARG A CZ 1 -ATOM 5763 N NH1 . ARG A 1 342 ? -1.889 11.534 -3.320 1.00 17.22 ? 332 ARG A NH1 1 -ATOM 5764 N NH2 . ARG A 1 342 ? -2.798 13.506 -4.118 1.00 17.44 ? 332 ARG A NH2 1 -ATOM 5765 H H . ARG A 1 342 ? -4.856 9.262 1.546 1.00 21.68 ? 332 ARG A H 1 -ATOM 5766 H HA . ARG A 1 342 ? -4.149 11.874 1.927 1.00 20.67 ? 332 ARG A HA 1 -ATOM 5767 H HB2 . ARG A 1 342 ? -5.522 10.622 -0.203 1.00 20.43 ? 332 ARG A HB2 1 -ATOM 5768 H HB3 . ARG A 1 342 ? -5.140 12.164 -0.159 1.00 20.43 ? 332 ARG A HB3 1 -ATOM 5769 H HG2 . ARG A 1 342 ? -3.068 10.293 -0.071 1.00 21.25 ? 332 ARG A HG2 1 -ATOM 5770 H HG3 . ARG A 1 342 ? -3.723 10.628 -1.479 1.00 21.25 ? 332 ARG A HG3 1 -ATOM 5771 H HD2 . ARG A 1 342 ? -2.804 12.716 0.068 1.00 20.34 ? 332 ARG A HD2 1 -ATOM 5772 H HD3 . ARG A 1 342 ? -1.747 11.853 -0.747 1.00 20.34 ? 332 ARG A HD3 1 -ATOM 5773 H HE . ARG A 1 342 ? -3.302 13.738 -1.788 1.00 19.97 ? 332 ARG A HE 1 -ATOM 5774 H HH11 . ARG A 1 342 ? -1.700 11.020 -2.656 1.00 20.67 ? 332 ARG A HH11 1 -ATOM 5775 H HH12 . ARG A 1 342 ? -1.650 11.312 -4.116 1.00 20.67 ? 332 ARG A HH12 1 -ATOM 5776 H HH21 . ARG A 1 342 ? -3.193 14.250 -3.947 1.00 20.93 ? 332 ARG A HH21 1 -ATOM 5777 H HH22 . ARG A 1 342 ? -2.572 13.314 -4.925 1.00 20.93 ? 332 ARG A HH22 1 -ATOM 5778 N N . LYS A 1 343 ? -6.618 12.730 2.101 1.00 18.80 ? 333 LYS A N 1 -ATOM 5779 C CA . LYS A 1 343 ? -7.861 13.173 2.701 1.00 23.52 ? 333 LYS A CA 1 -ATOM 5780 C C . LYS A 1 343 ? -8.813 13.649 1.629 1.00 22.82 ? 333 LYS A C 1 -ATOM 5781 O O . LYS A 1 343 ? -8.360 14.161 0.663 1.00 19.37 ? 333 LYS A O 1 -ATOM 5782 C CB . LYS A 1 343 ? -7.581 14.386 3.606 1.00 26.21 ? 333 LYS A CB 1 -ATOM 5783 C CG . LYS A 1 343 ? -6.142 14.740 3.737 1.00 64.70 ? 333 LYS A CG 1 -ATOM 5784 H H . LYS A 1 343 ? -6.270 13.307 1.567 1.00 22.56 ? 333 LYS A H 1 -ATOM 5785 H HA . LYS A 1 343 ? -8.266 12.444 3.196 1.00 28.23 ? 333 LYS A HA 1 -ATOM 5786 H HB2 . LYS A 1 343 ? -8.040 15.158 3.239 1.00 31.45 ? 333 LYS A HB2 1 -ATOM 5787 H HB3 . LYS A 1 343 ? -7.917 14.193 4.495 1.00 31.45 ? 333 LYS A HB3 1 -ATOM 5788 N N . PRO A 1 344 ? -10.135 13.519 1.759 1.00 28.23 ? 334 PRO A N 1 -ATOM 5789 C CA . PRO A 1 344 ? -11.027 14.184 0.805 1.00 24.36 ? 334 PRO A CA 1 -ATOM 5790 C C . PRO A 1 344 ? -11.001 15.696 1.042 1.00 26.79 ? 334 PRO A C 1 -ATOM 5791 O O . PRO A 1 344 ? -10.615 16.187 2.095 1.00 24.35 ? 334 PRO A O 1 -ATOM 5792 C CB B PRO A 1 344 ? -12.400 13.599 1.168 1.00 42.97 ? 334 PRO A CB 1 -ATOM 5793 C CG . PRO A 1 344 ? -12.278 13.385 2.680 1.00 35.51 ? 334 PRO A CG 1 -ATOM 5794 C CD . PRO A 1 344 ? -10.863 12.861 2.855 1.00 34.10 ? 334 PRO A CD 1 -ATOM 5795 H HA . PRO A 1 344 ? -10.810 13.975 -0.117 1.00 29.23 ? 334 PRO A HA 1 -ATOM 5796 H HB2 B PRO A 1 344 ? -13.106 14.229 0.954 1.00 51.57 ? 334 PRO A HB2 1 -ATOM 5797 H HB3 B PRO A 1 344 ? -12.548 12.762 0.701 1.00 51.57 ? 334 PRO A HB3 1 -ATOM 5798 H HG2 B PRO A 1 344 ? -12.403 14.224 3.150 1.00 42.61 ? 334 PRO A HG2 1 -ATOM 5799 H HG3 B PRO A 1 344 ? -12.933 12.735 2.982 1.00 42.61 ? 334 PRO A HG3 1 -ATOM 5800 H HD2 . PRO A 1 344 ? -10.501 13.119 3.717 1.00 40.92 ? 334 PRO A HD2 1 -ATOM 5801 H HD3 . PRO A 1 344 ? -10.835 11.896 2.759 1.00 40.92 ? 334 PRO A HD3 1 -ATOM 5802 N N . GLY A 1 345 ? -11.355 16.429 -0.002 1.00 25.83 ? 335 GLY A N 1 -ATOM 5803 C CA . GLY A 1 345 ? -11.361 17.874 0.091 1.00 22.33 ? 335 GLY A CA 1 -ATOM 5804 C C . GLY A 1 345 ? -12.356 18.368 1.123 1.00 23.94 ? 335 GLY A C 1 -ATOM 5805 O O . GLY A 1 345 ? -13.428 17.792 1.302 1.00 30.08 ? 335 GLY A O 1 -ATOM 5806 H H . GLY A 1 345 ? -11.593 16.116 -0.767 1.00 30.99 ? 335 GLY A H 1 -ATOM 5807 H HA2 . GLY A 1 345 ? -10.478 18.187 0.341 1.00 26.80 ? 335 GLY A HA2 1 -ATOM 5808 H HA3 . GLY A 1 345 ? -11.598 18.253 -0.770 1.00 26.80 ? 335 GLY A HA3 1 -ATOM 5809 N N . ARG A 1 346 ? -11.985 19.446 1.794 1.00 22.35 ? 336 ARG A N 1 -ATOM 5810 C CA . ARG A 1 346 ? -12.792 20.042 2.854 1.00 27.00 ? 336 ARG A CA 1 -ATOM 5811 C C . ARG A 1 346 ? -13.672 21.170 2.368 1.00 26.75 ? 336 ARG A C 1 -ATOM 5812 O O . ARG A 1 346 ? -14.623 21.560 3.054 1.00 33.91 ? 336 ARG A O 1 -ATOM 5813 C CB . ARG A 1 346 ? -11.872 20.603 3.949 1.00 31.48 ? 336 ARG A CB 1 -ATOM 5814 C CG . ARG A 1 346 ? -11.069 19.514 4.696 1.00 39.58 ? 336 ARG A CG 1 -ATOM 5815 H H . ARG A 1 346 ? -11.248 19.866 1.654 1.00 26.82 ? 336 ARG A H 1 -ATOM 5816 H HA . ARG A 1 346 ? -13.359 19.352 3.232 1.00 32.41 ? 336 ARG A HA 1 -ATOM 5817 H HB2 . ARG A 1 346 ? -11.237 21.214 3.542 1.00 37.78 ? 336 ARG A HB2 1 -ATOM 5818 H HB3 . ARG A 1 346 ? -12.413 21.074 4.602 1.00 37.78 ? 336 ARG A HB3 1 -ATOM 5819 N N . ASP A 1 347 ? -13.339 21.757 1.233 1.00 20.80 ? 337 ASP A N 1 -ATOM 5820 C CA . ASP A 1 347 ? -14.090 22.841 0.627 1.00 19.86 ? 337 ASP A CA 1 -ATOM 5821 C C . ASP A 1 347 ? -14.278 22.465 -0.841 1.00 18.72 ? 337 ASP A C 1 -ATOM 5822 O O . ASP A 1 347 ? -14.220 21.294 -1.214 1.00 18.03 ? 337 ASP A O 1 -ATOM 5823 C CB . ASP A 1 347 ? -13.302 24.131 0.890 1.00 21.04 ? 337 ASP A CB 1 -ATOM 5824 C CG . ASP A 1 347 ? -11.913 24.146 0.241 1.00 27.38 ? 337 ASP A CG 1 -ATOM 5825 O OD1 . ASP A 1 347 ? -11.564 23.243 -0.536 1.00 21.10 ? 337 ASP A OD1 1 -ATOM 5826 O OD2 . ASP A 1 347 ? -11.105 25.056 0.549 1.00 28.42 ? 337 ASP A OD2 1 -ATOM 5827 H H . ASP A 1 347 ? -12.649 21.535 0.771 1.00 24.96 ? 337 ASP A H 1 -ATOM 5828 H HA . ASP A 1 347 ? -14.979 22.949 1.000 1.00 23.84 ? 337 ASP A HA 1 -ATOM 5829 H HB2 . ASP A 1 347 ? -13.803 24.882 0.535 1.00 25.25 ? 337 ASP A HB2 1 -ATOM 5830 H HB3 . ASP A 1 347 ? -13.182 24.234 1.847 1.00 25.25 ? 337 ASP A HB3 1 -ATOM 5831 N N . TRP A 1 348 ? -14.547 23.446 -1.699 1.00 17.50 ? 338 TRP A N 1 -ATOM 5832 C CA . TRP A 1 348 ? -14.799 23.144 -3.108 1.00 16.26 ? 338 TRP A CA 1 -ATOM 5833 C C . TRP A 1 348 ? -13.532 22.820 -3.880 1.00 16.80 ? 338 TRP A C 1 -ATOM 5834 O O . TRP A 1 348 ? -13.627 22.400 -5.046 1.00 15.66 ? 338 TRP A O 1 -ATOM 5835 C CB . TRP A 1 348 ? -15.488 24.324 -3.826 1.00 18.19 ? 338 TRP A CB 1 -ATOM 5836 C CG . TRP A 1 348 ? -16.865 24.647 -3.332 1.00 18.02 ? 338 TRP A CG 1 -ATOM 5837 C CD1 . TRP A 1 348 ? -17.564 23.979 -2.410 1.00 20.13 ? 338 TRP A CD1 1 -ATOM 5838 C CD2 . TRP A 1 348 ? -17.706 25.719 -3.789 1.00 17.71 ? 338 TRP A CD2 1 -ATOM 5839 N NE1 . TRP A 1 348 ? -18.828 24.574 -2.258 1.00 20.22 ? 338 TRP A NE1 1 -ATOM 5840 C CE2 . TRP A 1 348 ? -18.912 25.648 -3.093 1.00 19.06 ? 338 TRP A CE2 1 -ATOM 5841 C CE3 . TRP A 1 348 ? -17.534 26.736 -4.723 1.00 19.69 ? 338 TRP A CE3 1 -ATOM 5842 C CZ2 . TRP A 1 348 ? -19.957 26.568 -3.292 1.00 20.50 ? 338 TRP A CZ2 1 -ATOM 5843 C CZ3 . TRP A 1 348 ? -18.577 27.605 -4.958 1.00 22.66 ? 338 TRP A CZ3 1 -ATOM 5844 C CH2 . TRP A 1 348 ? -19.758 27.532 -4.235 1.00 21.76 ? 338 TRP A CH2 1 -ATOM 5845 H H . TRP A 1 348 ? -14.589 24.281 -1.495 1.00 21.00 ? 338 TRP A H 1 -ATOM 5846 H HA . TRP A 1 348 ? -15.399 22.382 -3.130 1.00 19.51 ? 338 TRP A HA 1 -ATOM 5847 H HB2 . TRP A 1 348 ? -14.943 25.118 -3.706 1.00 21.83 ? 338 TRP A HB2 1 -ATOM 5848 H HB3 . TRP A 1 348 ? -15.560 24.111 -4.769 1.00 21.83 ? 338 TRP A HB3 1 -ATOM 5849 H HD1 . TRP A 1 348 ? -17.260 23.236 -1.941 1.00 24.16 ? 338 TRP A HD1 1 -ATOM 5850 H HE1 . TRP A 1 348 ? -19.447 24.304 -1.725 1.00 24.27 ? 338 TRP A HE1 1 -ATOM 5851 H HE3 . TRP A 1 348 ? -16.729 26.827 -5.181 1.00 23.62 ? 338 TRP A HE3 1 -ATOM 5852 H HZ2 . TRP A 1 348 ? -20.747 26.522 -2.803 1.00 24.59 ? 338 TRP A HZ2 1 -ATOM 5853 H HZ3 . TRP A 1 348 ? -18.486 28.256 -5.617 1.00 27.19 ? 338 TRP A HZ3 1 -ATOM 5854 H HH2 . TRP A 1 348 ? -20.429 28.154 -4.397 1.00 26.11 ? 338 TRP A HH2 1 -ATOM 5855 N N . GLY A 1 349 ? -12.349 23.010 -3.324 1.00 16.33 ? 339 GLY A N 1 -ATOM 5856 C CA . GLY A 1 349 ? -11.125 22.661 -4.016 1.00 16.30 ? 339 GLY A CA 1 -ATOM 5857 C C . GLY A 1 349 ? -10.878 23.538 -5.228 1.00 15.57 ? 339 GLY A C 1 -ATOM 5858 O O . GLY A 1 349 ? -10.310 23.049 -6.207 1.00 16.35 ? 339 GLY A O 1 -ATOM 5859 H H . GLY A 1 349 ? -12.227 23.342 -2.541 1.00 19.60 ? 339 GLY A H 1 -ATOM 5860 H HA2 . GLY A 1 349 ? -10.375 22.758 -3.409 1.00 19.56 ? 339 GLY A HA2 1 -ATOM 5861 H HA3 . GLY A 1 349 ? -11.175 21.738 -4.310 1.00 19.56 ? 339 GLY A HA3 1 -ATOM 5862 N N . GLY A 1 350 ? -11.224 24.811 -5.190 1.00 16.17 ? 340 GLY A N 1 -ATOM 5863 C CA . GLY A 1 350 ? -10.895 25.701 -6.288 1.00 16.60 ? 340 GLY A CA 1 -ATOM 5864 C C . GLY A 1 350 ? -9.412 25.940 -6.386 1.00 17.37 ? 340 GLY A C 1 -ATOM 5865 O O . GLY A 1 350 ? -8.683 25.847 -5.407 1.00 18.40 ? 340 GLY A O 1 -ATOM 5866 H H . GLY A 1 350 ? -11.649 25.186 -4.543 1.00 19.41 ? 340 GLY A H 1 -ATOM 5867 H HA2 . GLY A 1 350 ? -11.201 25.312 -7.122 1.00 19.92 ? 340 GLY A HA2 1 -ATOM 5868 H HA3 . GLY A 1 350 ? -11.337 26.554 -6.156 1.00 19.92 ? 340 GLY A HA3 1 -ATOM 5869 N N . ARG A 1 351 ? -8.916 26.219 -7.590 1.00 16.61 ? 341 ARG A N 1 -ATOM 5870 C CA . ARG A 1 351 ? -7.501 26.471 -7.749 1.00 15.79 ? 341 ARG A CA 1 -ATOM 5871 C C . ARG A 1 351 ? -7.104 27.719 -6.988 1.00 18.81 ? 341 ARG A C 1 -ATOM 5872 O O . ARG A 1 351 ? -7.771 28.758 -7.064 1.00 19.38 ? 341 ARG A O 1 -ATOM 5873 C CB . ARG A 1 351 ? -7.194 26.651 -9.239 1.00 17.79 ? 341 ARG A CB 1 -ATOM 5874 C CG . ARG A 1 351 ? -5.725 26.815 -9.597 1.00 17.39 ? 341 ARG A CG 1 -ATOM 5875 C CD . ARG A 1 351 ? -5.360 28.264 -9.656 1.00 19.51 ? 341 ARG A CD 1 -ATOM 5876 N NE . ARG A 1 351 ? -3.928 28.494 -9.888 1.00 21.36 ? 341 ARG A NE 1 -ATOM 5877 C CZ . ARG A 1 351 ? -3.368 28.790 -11.053 1.00 21.27 ? 341 ARG A CZ 1 -ATOM 5878 N NH1 . ARG A 1 351 ? -4.100 28.912 -12.160 1.00 18.97 ? 341 ARG A NH1 1 -ATOM 5879 N NH2 . ARG A 1 351 ? -2.065 28.998 -11.098 1.00 21.39 ? 341 ARG A NH2 1 -ATOM 5880 H H . ARG A 1 351 ? -9.376 26.265 -8.315 1.00 19.93 ? 341 ARG A H 1 -ATOM 5881 H HA . ARG A 1 351 ? -6.986 25.725 -7.404 1.00 18.95 ? 341 ARG A HA 1 -ATOM 5882 H HB2 . ARG A 1 351 ? -7.520 25.869 -9.713 1.00 21.35 ? 341 ARG A HB2 1 -ATOM 5883 H HB3 . ARG A 1 351 ? -7.657 27.444 -9.551 1.00 21.35 ? 341 ARG A HB3 1 -ATOM 5884 H HG2 . ARG A 1 351 ? -5.176 26.385 -8.923 1.00 20.87 ? 341 ARG A HG2 1 -ATOM 5885 H HG3 . ARG A 1 351 ? -5.555 26.418 -10.465 1.00 20.87 ? 341 ARG A HG3 1 -ATOM 5886 H HD2 . ARG A 1 351 ? -5.849 28.682 -10.382 1.00 23.41 ? 341 ARG A HD2 1 -ATOM 5887 H HD3 . ARG A 1 351 ? -5.596 28.682 -8.814 1.00 23.41 ? 341 ARG A HD3 1 -ATOM 5888 H HE . ARG A 1 351 ? -3.406 28.432 -9.207 1.00 25.63 ? 341 ARG A HE 1 -ATOM 5889 H HH11 . ARG A 1 351 ? -4.952 28.798 -12.127 1.00 22.76 ? 341 ARG A HH11 1 -ATOM 5890 H HH12 . ARG A 1 351 ? -3.720 29.105 -12.907 1.00 22.76 ? 341 ARG A HH12 1 -ATOM 5891 H HH21 . ARG A 1 351 ? -1.595 28.940 -10.380 1.00 25.67 ? 341 ARG A HH21 1 -ATOM 5892 H HH22 . ARG A 1 351 ? -1.686 29.191 -11.845 1.00 25.67 ? 341 ARG A HH22 1 -ATOM 5893 N N . LYS A 1 352 ? -5.991 27.612 -6.266 1.00 18.03 ? 342 LYS A N 1 -ATOM 5894 C CA . LYS A 1 352 ? -5.428 28.727 -5.512 1.00 19.05 ? 342 LYS A CA 1 -ATOM 5895 C C . LYS A 1 352 ? -4.082 29.117 -6.111 1.00 20.75 ? 342 LYS A C 1 -ATOM 5896 O O . LYS A 1 352 ? -3.468 28.375 -6.882 1.00 19.79 ? 342 LYS A O 1 -ATOM 5897 C CB . LYS A 1 352 ? -5.279 28.338 -4.033 1.00 20.36 ? 342 LYS A CB 1 -ATOM 5898 C CG . LYS A 1 352 ? -6.576 28.007 -3.371 1.00 23.77 ? 342 LYS A CG 1 -ATOM 5899 C CD . LYS A 1 352 ? -7.514 29.222 -3.359 1.00 38.16 ? 342 LYS A CD 1 -ATOM 5900 C CE . LYS A 1 352 ? -8.722 29.056 -2.425 1.00 57.78 ? 342 LYS A CE 1 -ATOM 5901 N NZ . LYS A 1 352 ? -9.727 28.090 -2.937 1.00 77.35 ? 342 LYS A NZ 1 -ATOM 5902 H H . LYS A 1 352 ? -5.534 26.887 -6.197 1.00 21.63 ? 342 LYS A H 1 -ATOM 5903 H HA . LYS A 1 352 ? -6.008 29.503 -5.559 1.00 22.86 ? 342 LYS A HA 1 -ATOM 5904 H HB2 . LYS A 1 352 ? -4.706 27.558 -3.971 1.00 24.43 ? 342 LYS A HB2 1 -ATOM 5905 H HB3 . LYS A 1 352 ? -4.881 29.081 -3.553 1.00 24.43 ? 342 LYS A HB3 1 -ATOM 5906 H HG2 . LYS A 1 352 ? -7.011 27.288 -3.855 1.00 28.53 ? 342 LYS A HG2 1 -ATOM 5907 H HG3 . LYS A 1 352 ? -6.411 27.738 -2.454 1.00 28.53 ? 342 LYS A HG3 1 -ATOM 5908 H HD2 . LYS A 1 352 ? -7.016 30.000 -3.063 1.00 45.79 ? 342 LYS A HD2 1 -ATOM 5909 H HD3 . LYS A 1 352 ? -7.851 29.366 -4.257 1.00 45.79 ? 342 LYS A HD3 1 -ATOM 5910 H HE2 . LYS A 1 352 ? -8.413 28.736 -1.564 1.00 69.34 ? 342 LYS A HE2 1 -ATOM 5911 H HE3 . LYS A 1 352 ? -9.161 29.915 -2.322 1.00 69.34 ? 342 LYS A HE3 1 -ATOM 5912 H HZ1 . LYS A 1 352 ? -9.355 27.287 -3.034 1.00 92.82 ? 342 LYS A HZ1 1 -ATOM 5913 H HZ2 . LYS A 1 352 ? -10.407 28.027 -2.367 1.00 92.82 ? 342 LYS A HZ2 1 -ATOM 5914 H HZ3 . LYS A 1 352 ? -10.036 28.362 -3.727 1.00 92.82 ? 342 LYS A HZ3 1 -ATOM 5915 N N . ARG A 1 353 ? -3.600 30.298 -5.738 1.00 23.02 ? 343 ARG A N 1 -ATOM 5916 C CA . ARG A 1 353 ? -2.322 30.800 -6.211 1.00 26.32 ? 343 ARG A CA 1 -ATOM 5917 C C . ARG A 1 353 ? -1.390 30.885 -5.019 1.00 25.14 ? 343 ARG A C 1 -ATOM 5918 O O . ARG A 1 353 ? -1.378 31.886 -4.297 1.00 30.35 ? 343 ARG A O 1 -ATOM 5919 C CB . ARG A 1 353 ? -2.527 32.122 -6.889 1.00 26.82 ? 343 ARG A CB 1 -ATOM 5920 C CG . ARG A 1 353 ? -3.344 31.953 -8.156 1.00 27.30 ? 343 ARG A CG 1 -ATOM 5921 C CD . ARG A 1 353 ? -3.506 33.258 -8.883 1.00 32.49 ? 343 ARG A CD 1 -ATOM 5922 N NE . ARG A 1 353 ? -4.397 33.042 -10.009 1.00 35.42 ? 343 ARG A NE 1 -ATOM 5923 C CZ . ARG A 1 353 ? -3.980 32.604 -11.185 1.00 32.18 ? 343 ARG A CZ 1 -ATOM 5924 N NH1 . ARG A 1 353 ? -2.689 32.361 -11.378 1.00 32.28 ? 343 ARG A NH1 1 -ATOM 5925 N NH2 . ARG A 1 353 ? -4.855 32.419 -12.152 1.00 31.11 ? 343 ARG A NH2 1 -ATOM 5926 H H . ARG A 1 353 ? -4.006 30.833 -5.201 1.00 27.62 ? 343 ARG A H 1 -ATOM 5927 H HA . ARG A 1 353 ? -1.921 30.184 -6.844 1.00 31.58 ? 343 ARG A HA 1 -ATOM 5928 H HB2 . ARG A 1 353 ? -3.002 32.722 -6.292 1.00 32.19 ? 343 ARG A HB2 1 -ATOM 5929 H HB3 . ARG A 1 353 ? -1.666 32.502 -7.124 1.00 32.19 ? 343 ARG A HB3 1 -ATOM 5930 H HG2 . ARG A 1 353 ? -2.895 31.328 -8.746 1.00 32.76 ? 343 ARG A HG2 1 -ATOM 5931 H HG3 . ARG A 1 353 ? -4.225 31.620 -7.927 1.00 32.76 ? 343 ARG A HG3 1 -ATOM 5932 H HD2 . ARG A 1 353 ? -3.893 33.923 -8.293 1.00 38.99 ? 343 ARG A HD2 1 -ATOM 5933 H HD3 . ARG A 1 353 ? -2.646 33.566 -9.211 1.00 38.99 ? 343 ARG A HD3 1 -ATOM 5934 H HE . ARG A 1 353 ? -5.235 33.205 -9.906 1.00 42.50 ? 343 ARG A HE 1 -ATOM 5935 H HH11 . ARG A 1 353 ? -2.128 32.488 -10.739 1.00 38.74 ? 343 ARG A HH11 1 -ATOM 5936 H HH12 . ARG A 1 353 ? -2.415 32.077 -12.142 1.00 38.74 ? 343 ARG A HH12 1 -ATOM 5937 H HH21 . ARG A 1 353 ? -5.689 32.581 -12.015 1.00 37.33 ? 343 ARG A HH21 1 -ATOM 5938 H HH22 . ARG A 1 353 ? -4.593 32.135 -12.920 1.00 37.33 ? 343 ARG A HH22 1 -ATOM 5939 N N . VAL A 1 354 ? -0.654 29.810 -4.768 1.00 25.61 ? 344 VAL A N 1 -ATOM 5940 C CA . VAL A 1 354 ? 0.275 29.726 -3.650 1.00 23.40 ? 344 VAL A CA 1 -ATOM 5941 C C . VAL A 1 354 ? 1.711 29.529 -4.085 1.00 24.89 ? 344 VAL A C 1 -ATOM 5942 O O . VAL A 1 354 ? 2.629 29.652 -3.223 1.00 28.28 ? 344 VAL A O 1 -ATOM 5943 C CB . VAL A 1 354 ? -0.108 28.655 -2.609 1.00 30.78 ? 344 VAL A CB 1 -ATOM 5944 C CG1 . VAL A 1 354 ? -1.375 29.054 -1.881 1.00 29.30 ? 344 VAL A CG1 1 -ATOM 5945 C CG2 . VAL A 1 354 ? -0.254 27.279 -3.262 1.00 26.59 ? 344 VAL A CG2 1 -ATOM 5946 H H . VAL A 1 354 ? -0.676 29.094 -5.245 1.00 30.73 ? 344 VAL A H 1 -ATOM 5947 H HA . VAL A 1 354 ? 0.222 30.577 -3.187 1.00 28.08 ? 344 VAL A HA 1 -ATOM 5948 H HB . VAL A 1 354 ? 0.605 28.588 -1.955 1.00 36.94 ? 344 VAL A HB 1 -ATOM 5949 H HG11 . VAL A 1 354 ? -1.596 28.368 -1.232 1.00 35.16 ? 344 VAL A HG11 1 -ATOM 5950 H HG12 . VAL A 1 354 ? -1.227 29.900 -1.430 1.00 35.16 ? 344 VAL A HG12 1 -ATOM 5951 H HG13 . VAL A 1 354 ? -2.095 29.144 -2.525 1.00 35.16 ? 344 VAL A HG13 1 -ATOM 5952 H HG21 . VAL A 1 354 ? -0.497 26.631 -2.582 1.00 31.91 ? 344 VAL A HG21 1 -ATOM 5953 H HG22 . VAL A 1 354 ? -0.948 27.323 -3.939 1.00 31.91 ? 344 VAL A HG22 1 -ATOM 5954 H HG23 . VAL A 1 354 ? 0.590 27.031 -3.669 1.00 31.91 ? 344 VAL A HG23 1 -ATOM 5955 N N . PHE A 1 355 ? 1.948 29.279 -5.377 1.00 24.53 ? 345 PHE A N 1 -ATOM 5956 C CA . PHE A 1 355 ? 3.293 29.144 -5.916 1.00 26.25 ? 345 PHE A CA 1 -ATOM 5957 C C . PHE A 1 355 ? 3.764 30.490 -6.468 1.00 41.98 ? 345 PHE A C 1 -ATOM 5958 O O . PHE A 1 355 ? 3.087 31.103 -7.307 1.00 34.57 ? 345 PHE A O 1 -ATOM 5959 C CB . PHE A 1 355 ? 3.341 28.113 -7.037 1.00 24.84 ? 345 PHE A CB 1 -ATOM 5960 C CG . PHE A 1 355 ? 4.725 27.856 -7.530 1.00 27.27 ? 345 PHE A CG 1 -ATOM 5961 C CD1 . PHE A 1 355 ? 5.574 27.017 -6.837 1.00 24.60 ? 345 PHE A CD1 1 -ATOM 5962 C CD2 . PHE A 1 355 ? 5.183 28.440 -8.693 1.00 31.65 ? 345 PHE A CD2 1 -ATOM 5963 C CE1 . PHE A 1 355 ? 6.874 26.821 -7.251 1.00 31.19 ? 345 PHE A CE1 1 -ATOM 5964 C CE2 . PHE A 1 355 ? 6.479 28.230 -9.106 1.00 31.65 ? 345 PHE A CE2 1 -ATOM 5965 C CZ . PHE A 1 355 ? 7.318 27.419 -8.403 1.00 28.60 ? 345 PHE A CZ 1 -ATOM 5966 H H . PHE A 1 355 ? 1.331 29.181 -5.968 1.00 29.43 ? 345 PHE A H 1 -ATOM 5967 H HA . PHE A 1 355 ? 3.883 28.858 -5.202 1.00 31.50 ? 345 PHE A HA 1 -ATOM 5968 H HB2 . PHE A 1 355 ? 2.979 27.275 -6.710 1.00 29.80 ? 345 PHE A HB2 1 -ATOM 5969 H HB3 . PHE A 1 355 ? 2.812 28.434 -7.784 1.00 29.80 ? 345 PHE A HB3 1 -ATOM 5970 H HD1 . PHE A 1 355 ? 5.265 26.577 -6.079 1.00 29.52 ? 345 PHE A HD1 1 -ATOM 5971 H HD2 . PHE A 1 355 ? 4.615 28.976 -9.199 1.00 37.98 ? 345 PHE A HD2 1 -ATOM 5972 H HE1 . PHE A 1 355 ? 7.447 26.286 -6.751 1.00 37.43 ? 345 PHE A HE1 1 -ATOM 5973 H HE2 . PHE A 1 355 ? 6.787 28.648 -9.877 1.00 37.98 ? 345 PHE A HE2 1 -ATOM 5974 H HZ . PHE A 1 355 ? 8.187 27.273 -8.701 1.00 34.33 ? 345 PHE A HZ 1 -ATOM 5975 N N . THR A 1 356 ? 4.951 30.904 -6.041 1.00 36.21 ? 346 THR A N 1 -ATOM 5976 C CA . THR A 1 356 ? 5.494 32.241 -6.349 1.00 95.29 ? 346 THR A CA 1 -ATOM 5977 C C . THR A 1 356 ? 4.423 33.337 -6.326 1.00 77.10 ? 346 THR A C 1 -ATOM 5978 O O . THR A 1 356 ? 3.764 33.562 -5.308 1.00 69.13 ? 346 THR A O 1 -ATOM 5979 C CB . THR A 1 356 ? 6.216 32.271 -7.723 1.00 45.92 ? 346 THR A CB 1 -ATOM 5980 H H . THR A 1 356 ? 5.480 30.426 -5.560 1.00 43.45 ? 346 THR A H 1 -ATOM 5981 H HA . THR A 1 356 ? 6.139 32.460 -5.658 1.00 114.34 ? 346 THR A HA 1 -HETATM 5982 N N . CYS B 2 . ? -13.620 11.653 -17.753 1.00 15.50 ? 401 CYS A N 1 -HETATM 5983 C CA . CYS B 2 . ? -13.258 11.104 -19.086 1.00 14.53 ? 401 CYS A CA 1 -HETATM 5984 C C . CYS B 2 . ? -11.777 10.907 -18.976 1.00 19.50 ? 401 CYS A C 1 -HETATM 5985 O O . CYS B 2 . ? -11.206 9.988 -19.577 1.00 21.30 ? 401 CYS A O 1 -HETATM 5986 C CB . CYS B 2 . ? -13.549 12.161 -20.146 1.00 15.72 ? 401 CYS A CB 1 -HETATM 5987 S SG . CYS B 2 . ? -12.837 13.793 -19.661 1.00 14.51 ? 401 CYS A SG 1 -HETATM 5988 O OXT . CYS B 2 . ? -11.137 11.770 -18.293 1.00 18.79 ? 401 CYS A OXT 1 -HETATM 5989 H HA . CYS B 2 . ? -13.734 10.298 -19.339 1.00 17.44 ? 401 CYS A HA 1 -HETATM 5990 H HB2 . CYS B 2 . ? -13.154 11.890 -20.989 1.00 18.87 ? 401 CYS A HB2 1 -HETATM 5991 H HB3 . CYS B 2 . ? -14.509 12.261 -20.246 1.00 18.87 ? 401 CYS A HB3 1 -HETATM 5992 FE FE . FE2 C 3 . ? -12.387 13.254 -17.469 1.00 14.79 ? 402 FE2 A FE 1 -HETATM 5993 C C C CMO D 4 . ? -13.654 14.394 -16.878 0.93 15.47 ? 403 CMO A C 1 -HETATM 5994 O O C CMO D 4 . ? -14.462 15.123 -16.500 0.93 17.10 ? 403 CMO A O 1 -HETATM 5995 C C C CMO E 4 . ? -11.117 14.498 -17.376 0.96 14.10 ? 404 CMO A C 1 -HETATM 5996 O O C CMO E 4 . ? -10.282 15.318 -17.308 0.96 15.65 ? 404 CMO A O 1 -HETATM 5997 C C . CYN F 5 . ? -11.936 12.582 -15.952 1.00 16.12 ? 405 CYN A C 1 -HETATM 5998 N N . CYN F 5 . ? -11.615 12.105 -14.879 1.00 14.92 ? 405 CYN A N 1 -HETATM 5999 C C . PYR G 6 . ? -6.947 7.429 -40.800 1.00 56.90 ? 406 PYR A C 1 -HETATM 6000 O O . PYR G 6 . ? -6.283 6.301 -40.895 1.00 57.50 ? 406 PYR A O 1 -HETATM 6001 O OXT . PYR G 6 . ? -8.258 7.366 -40.833 1.00 56.71 ? 406 PYR A OXT 1 -HETATM 6002 C CA . PYR G 6 . ? -6.295 8.664 -40.657 1.00 57.62 ? 406 PYR A CA 1 -HETATM 6003 O O3 . PYR G 6 . ? -6.927 9.794 -40.892 1.00 60.52 ? 406 PYR A O3 1 -HETATM 6004 C CB . PYR G 6 . ? -4.859 8.740 -40.223 1.00 55.28 ? 406 PYR A CB 1 -HETATM 6005 H HB1 . PYR G 6 . ? -4.210 8.649 -41.094 1.00 66.34 ? 406 PYR A HB1 1 -HETATM 6006 H HB2 . PYR G 6 . ? -4.677 9.697 -39.734 1.00 66.34 ? 406 PYR A HB2 1 -HETATM 6007 H HB3 . PYR G 6 . ? -4.647 7.930 -39.526 1.00 66.34 ? 406 PYR A HB3 1 -HETATM 6008 C C1 A GOL H 7 . ? -13.852 26.587 -1.220 0.82 40.60 ? 407 GOL A C1 1 -HETATM 6009 O O1 A GOL H 7 . ? -13.272 27.014 -2.397 0.82 38.97 ? 407 GOL A O1 1 -HETATM 6010 C C2 A GOL H 7 . ? -14.767 27.657 -0.692 0.82 38.62 ? 407 GOL A C2 1 -HETATM 6011 O O2 A GOL H 7 . ? -15.368 27.265 0.544 0.82 44.83 ? 407 GOL A O2 1 -HETATM 6012 C C3 A GOL H 7 . ? -15.845 27.845 -1.778 0.82 42.10 ? 407 GOL A C3 1 -HETATM 6013 O O3 A GOL H 7 . ? -16.990 28.225 -1.083 0.82 46.84 ? 407 GOL A O3 1 -HETATM 6014 H H11 A GOL H 7 . ? -13.190 26.384 -0.541 0.82 48.72 ? 407 GOL A H11 1 -HETATM 6015 H H12 A GOL H 7 . ? -14.366 25.774 -1.342 0.82 48.72 ? 407 GOL A H12 1 -HETATM 6016 H H2 A GOL H 7 . ? -14.269 28.474 -0.533 0.82 46.35 ? 407 GOL A H2 1 -HETATM 6017 H HO2 A GOL H 7 . ? -16.146 27.605 0.570 0.82 53.80 ? 407 GOL A HO2 1 -HETATM 6018 H H31 A GOL H 7 . ? -15.946 27.021 -2.280 0.82 50.52 ? 407 GOL A H31 1 -HETATM 6019 H H32 A GOL H 7 . ? -15.542 28.503 -2.423 0.82 50.52 ? 407 GOL A H32 1 -HETATM 6020 N N . SAH I 8 . ? -17.865 17.003 -26.042 1.00 15.52 ? 408 SAH A N 1 -HETATM 6021 C CA . SAH I 8 . ? -17.075 17.569 -24.928 1.00 13.98 ? 408 SAH A CA 1 -HETATM 6022 C CB . SAH I 8 . ? -17.070 16.718 -23.687 1.00 16.79 ? 408 SAH A CB 1 -HETATM 6023 C CG . SAH I 8 . ? -17.189 15.242 -23.847 1.00 18.34 ? 408 SAH A CG 1 -HETATM 6024 S SD . SAH I 8 . ? -15.779 14.412 -24.570 1.00 19.12 ? 408 SAH A SD 1 -HETATM 6025 C C . SAH I 8 . ? -15.673 17.890 -25.432 1.00 15.58 ? 408 SAH A C 1 -HETATM 6026 O O . SAH I 8 . ? -14.983 18.683 -24.861 1.00 15.41 ? 408 SAH A O 1 -HETATM 6027 O OXT . SAH I 8 . ? -15.354 17.308 -26.538 1.00 16.89 ? 408 SAH A OXT 1 -HETATM 6028 C "C5'" . SAH I 8 . ? -14.672 14.417 -23.123 1.00 19.70 ? 408 SAH A "C5'" 1 -HETATM 6029 C "C4'" . SAH I 8 . ? -13.223 14.058 -23.438 1.00 16.19 ? 408 SAH A "C4'" 1 -HETATM 6030 O "O4'" . SAH I 8 . ? -13.100 12.691 -23.698 1.00 17.08 ? 408 SAH A "O4'" 1 -HETATM 6031 C "C3'" . SAH I 8 . ? -12.552 14.719 -24.616 1.00 14.58 ? 408 SAH A "C3'" 1 -HETATM 6032 O "O3'" . SAH I 8 . ? -12.114 16.019 -24.243 1.00 16.83 ? 408 SAH A "O3'" 1 -HETATM 6033 C "C2'" . SAH I 8 . ? -11.375 13.766 -24.892 1.00 14.50 ? 408 SAH A "C2'" 1 -HETATM 6034 O "O2'" . SAH I 8 . ? -10.169 14.207 -24.323 1.00 16.84 ? 408 SAH A "O2'" 1 -HETATM 6035 C "C1'" . SAH I 8 . ? -11.815 12.456 -24.215 1.00 14.78 ? 408 SAH A "C1'" 1 -HETATM 6036 N N9 . SAH I 8 . ? -11.906 11.313 -25.151 1.00 13.49 ? 408 SAH A N9 1 -HETATM 6037 C C8 . SAH I 8 . ? -12.756 11.213 -26.252 1.00 15.31 ? 408 SAH A C8 1 -HETATM 6038 N N7 . SAH I 8 . ? -12.456 10.119 -26.909 1.00 14.76 ? 408 SAH A N7 1 -HETATM 6039 C C5 . SAH I 8 . ? -11.389 9.515 -26.298 1.00 14.68 ? 408 SAH A C5 1 -HETATM 6040 C C6 . SAH I 8 . ? -10.636 8.377 -26.563 1.00 14.06 ? 408 SAH A C6 1 -HETATM 6041 N N6 . SAH I 8 . ? -10.879 7.568 -27.608 1.00 14.29 ? 408 SAH A N6 1 -HETATM 6042 N N1 . SAH I 8 . ? -9.616 8.087 -25.732 1.00 14.25 ? 408 SAH A N1 1 -HETATM 6043 C C2 . SAH I 8 . ? -9.355 8.843 -24.658 1.00 14.58 ? 408 SAH A C2 1 -HETATM 6044 N N3 . SAH I 8 . ? -10.058 9.951 -24.351 1.00 14.39 ? 408 SAH A N3 1 -HETATM 6045 C C4 . SAH I 8 . ? -11.056 10.289 -25.186 1.00 13.52 ? 408 SAH A C4 1 -HETATM 6046 H H2 . SAH I 8 . ? -8.536 8.548 -24.001 1.00 17.50 ? 408 SAH A H2 1 -HETATM 6047 H HN1 . SAH I 8 . ? -18.702 16.964 -25.862 1.00 18.63 ? 408 SAH A HN1 1 -HETATM 6048 H HN2 . SAH I 8 . ? -17.937 17.520 -26.725 1.00 18.63 ? 408 SAH A HN2 1 -HETATM 6049 H HA . SAH I 8 . ? -17.499 18.396 -24.617 1.00 16.78 ? 408 SAH A HA 1 -HETATM 6050 H HB1 . SAH I 8 . ? -17.894 17.054 -23.058 1.00 20.14 ? 408 SAH A HB1 1 -HETATM 6051 H HB2 . SAH I 8 . ? -16.139 16.922 -23.156 1.00 20.14 ? 408 SAH A HB2 1 -HETATM 6052 H HG1 . SAH I 8 . ? -18.060 15.038 -24.470 1.00 22.01 ? 408 SAH A HG1 1 -HETATM 6053 H HG2 . SAH I 8 . ? -17.371 14.808 -22.864 1.00 22.01 ? 408 SAH A HG2 1 -HETATM 6054 H "H5'1" . SAH I 8 . ? -15.055 13.708 -22.390 1.00 23.64 ? 408 SAH A "H5'1" 1 -HETATM 6055 H "H5'2" . SAH I 8 . ? -14.694 15.410 -22.673 1.00 23.64 ? 408 SAH A "H5'2" 1 -HETATM 6056 H "H4'" . SAH I 8 . ? -12.727 14.413 -22.535 1.00 19.42 ? 408 SAH A "H4'" 1 -HETATM 6057 H "H3'" . SAH I 8 . ? -13.187 14.869 -25.489 1.00 17.50 ? 408 SAH A "H3'" 1 -HETATM 6058 H "HO3'" . SAH I 8 . ? -11.135 16.058 -24.286 1.00 20.20 ? 408 SAH A "HO3'" 1 -HETATM 6059 H "H2'" . SAH I 8 . ? -11.171 13.682 -25.960 1.00 17.40 ? 408 SAH A "H2'" 1 -HETATM 6060 H "HO2'" . SAH I 8 . ? -9.811 13.509 -23.735 1.00 20.21 ? 408 SAH A "HO2'" 1 -HETATM 6061 H "H1'" . SAH I 8 . ? -11.067 12.204 -23.464 1.00 17.74 ? 408 SAH A "H1'" 1 -HETATM 6062 H H8 . SAH I 8 . ? -13.537 11.924 -26.520 1.00 18.37 ? 408 SAH A H8 1 -HETATM 6063 H HN61 . SAH I 8 . ? -11.640 7.777 -28.246 1.00 17.15 ? 408 SAH A HN61 1 -HETATM 6064 H HN62 . SAH I 8 . ? -10.300 6.747 -27.760 1.00 17.15 ? 408 SAH A HN62 1 -HETATM 6065 P P . PO4 J 9 . ? 8.003 28.971 -13.083 1.00 78.39 ? 409 PO4 A P 1 -HETATM 6066 O O1 . PO4 J 9 . ? 8.416 28.801 -14.525 1.00 78.44 ? 409 PO4 A O1 1 -HETATM 6067 O O2 . PO4 J 9 . ? 6.834 28.065 -12.775 1.00 77.58 ? 409 PO4 A O2 1 -HETATM 6068 O O3 . PO4 J 9 . ? 7.594 30.403 -12.845 1.00 80.67 ? 409 PO4 A O3 1 -HETATM 6069 O O4 . PO4 J 9 . ? 9.166 28.635 -12.171 1.00 79.12 ? 409 PO4 A O4 1 -HETATM 6070 P P . PO4 K 9 . ? -15.521 5.422 -12.462 0.96 29.98 ? 410 PO4 A P 1 -HETATM 6071 O O1 . PO4 K 9 . ? -15.041 6.241 -13.574 0.96 34.04 ? 410 PO4 A O1 1 -HETATM 6072 O O2 . PO4 K 9 . ? -14.487 4.409 -12.015 0.96 34.36 ? 410 PO4 A O2 1 -HETATM 6073 O O3 . PO4 K 9 . ? -16.639 4.543 -13.013 0.96 40.68 ? 410 PO4 A O3 1 -HETATM 6074 O O4 . PO4 K 9 . ? -16.024 6.091 -11.297 0.96 30.35 ? 410 PO4 A O4 1 -HETATM 6075 P P A PO4 L 9 . ? 4.639 4.645 -8.181 0.46 42.84 ? 411 PO4 A P 1 -HETATM 6076 P P B PO4 L 9 . ? 6.483 6.365 -6.973 0.54 48.42 ? 411 PO4 A P 1 -HETATM 6077 O O1 A PO4 L 9 . ? 5.005 3.882 -9.445 0.46 41.03 ? 411 PO4 A O1 1 -HETATM 6078 O O1 B PO4 L 9 . ? 6.594 4.861 -7.019 0.54 49.69 ? 411 PO4 A O1 1 -HETATM 6079 O O2 A PO4 L 9 . ? 3.153 4.486 -7.791 0.46 36.41 ? 411 PO4 A O2 1 -HETATM 6080 O O2 B PO4 L 9 . ? 5.039 6.730 -7.266 0.54 44.99 ? 411 PO4 A O2 1 -HETATM 6081 O O3 A PO4 L 9 . ? 5.458 4.200 -7.004 0.46 41.84 ? 411 PO4 A O3 1 -HETATM 6082 O O3 B PO4 L 9 . ? 6.801 6.865 -5.574 0.54 41.11 ? 411 PO4 A O3 1 -HETATM 6083 O O4 A PO4 L 9 . ? 4.939 6.108 -8.399 0.46 43.47 ? 411 PO4 A O4 1 -HETATM 6084 O O4 B PO4 L 9 . ? 7.424 6.948 -7.999 0.54 50.62 ? 411 PO4 A O4 1 -HETATM 6085 P P . PO4 M 9 . ? -16.748 -1.865 -23.510 0.66 49.03 ? 412 PO4 A P 1 -HETATM 6086 O O1 . PO4 M 9 . ? -15.705 -1.770 -24.582 0.66 50.10 ? 412 PO4 A O1 1 -HETATM 6087 O O2 . PO4 M 9 . ? -17.149 -3.323 -23.348 0.66 51.67 ? 412 PO4 A O2 1 -HETATM 6088 O O3 . PO4 M 9 . ? -17.957 -1.021 -23.834 0.66 43.93 ? 412 PO4 A O3 1 -HETATM 6089 O O4 . PO4 M 9 . ? -16.196 -1.448 -22.192 0.66 45.55 ? 412 PO4 A O4 1 -HETATM 6090 P P . PO4 N 9 . ? 12.855 26.598 -26.938 0.64 42.51 ? 413 PO4 A P 1 -HETATM 6091 O O1 . PO4 N 9 . ? 11.669 26.549 -27.867 0.64 41.15 ? 413 PO4 A O1 1 -HETATM 6092 O O2 . PO4 N 9 . ? 14.012 25.826 -27.549 0.64 41.85 ? 413 PO4 A O2 1 -HETATM 6093 O O3 . PO4 N 9 . ? 12.564 26.065 -25.530 0.64 40.27 ? 413 PO4 A O3 1 -HETATM 6094 O O4 . PO4 N 9 . ? 13.258 28.030 -26.750 0.64 41.72 ? 413 PO4 A O4 1 -HETATM 6095 CL CL . CL O 10 . ? -13.656 20.424 -11.485 1.00 18.89 ? 414 CL A CL 1 -HETATM 6096 FE FE1 . SF4 P 11 . ? -16.704 13.168 -28.652 1.00 14.51 3 415 SF4 A FE1 1 -HETATM 6097 FE FE2 . SF4 P 11 . ? -18.415 15.035 -29.544 1.00 14.51 3 415 SF4 A FE2 1 -HETATM 6098 FE FE3 . SF4 P 11 . ? -15.796 15.239 -30.166 1.00 14.69 3 415 SF4 A FE3 1 -HETATM 6099 FE FE4 . SF4 P 11 . ? -16.618 15.773 -27.438 1.00 16.40 3 415 SF4 A FE4 1 -HETATM 6100 S S1 . SF4 P 11 . ? -17.092 16.926 -29.468 1.00 15.42 ? 415 SF4 A S1 1 -HETATM 6101 S S2 . SF4 P 11 . ? -14.845 14.451 -28.213 1.00 14.86 ? 415 SF4 A S2 1 -HETATM 6102 S S3 . SF4 P 11 . ? -18.333 14.121 -27.454 1.00 14.72 ? 415 SF4 A S3 1 -HETATM 6103 S S4 . SF4 P 11 . ? -17.281 13.593 -30.861 1.00 14.95 ? 415 SF4 A S4 1 -HETATM 6104 O O . HOH Q 12 . ? -19.612 -2.124 -23.261 1.00 49.98 ? 501 HOH A O 1 -HETATM 6105 O O . HOH Q 12 . ? -19.483 2.481 -28.077 1.00 42.55 ? 502 HOH A O 1 -HETATM 6106 O O . HOH Q 12 . ? -3.580 12.739 4.824 1.00 33.48 ? 503 HOH A O 1 -HETATM 6107 O O . HOH Q 12 . ? 9.623 16.996 -34.751 1.00 58.83 ? 504 HOH A O 1 -HETATM 6108 O O . HOH Q 12 . ? -0.212 11.671 3.131 1.00 43.13 ? 505 HOH A O 1 -HETATM 6109 O O . HOH Q 12 . ? -17.845 2.970 -14.130 1.00 50.92 ? 506 HOH A O 1 -HETATM 6110 O O . HOH Q 12 . ? -9.806 24.224 -10.622 1.00 21.54 ? 507 HOH A O 1 -HETATM 6111 O O . HOH Q 12 . ? -3.109 18.950 3.117 1.00 34.26 ? 508 HOH A O 1 -HETATM 6112 O O . HOH Q 12 . ? 28.212 14.334 -26.678 1.00 43.38 ? 509 HOH A O 1 -HETATM 6113 O O . HOH Q 12 . ? 15.689 14.100 -26.332 1.00 34.64 ? 510 HOH A O 1 -HETATM 6114 O O . HOH Q 12 . ? -16.465 -1.949 -19.827 1.00 53.36 ? 511 HOH A O 1 -HETATM 6115 O O . HOH Q 12 . ? -23.392 12.083 -32.002 0.40 13.83 ? 512 HOH A O 1 -HETATM 6116 O O . HOH Q 12 . ? 10.315 15.426 -0.555 1.00 40.07 ? 513 HOH A O 1 -HETATM 6117 O O . HOH Q 12 . ? 31.507 8.327 -31.330 1.00 60.62 ? 514 HOH A O 1 -HETATM 6118 O O . HOH Q 12 . ? 10.588 19.241 -28.950 1.00 50.03 ? 515 HOH A O 1 -HETATM 6119 O O . HOH Q 12 . ? -14.021 2.041 -11.512 1.00 43.52 ? 516 HOH A O 1 -HETATM 6120 O O . HOH Q 12 . ? 6.188 2.144 -5.839 1.00 56.79 ? 517 HOH A O 1 -HETATM 6121 O O . HOH Q 12 . ? -11.118 16.128 4.522 1.00 58.42 ? 518 HOH A O 1 -HETATM 6122 O O . HOH Q 12 . ? -38.708 14.790 -9.112 1.00 50.04 ? 519 HOH A O 1 -HETATM 6123 O O . HOH Q 12 . ? -31.457 32.688 -23.397 1.00 52.45 ? 520 HOH A O 1 -HETATM 6124 O O . HOH Q 12 . ? -20.175 6.486 -18.436 1.00 31.42 ? 521 HOH A O 1 -HETATM 6125 O O . HOH Q 12 . ? -14.726 8.734 -13.977 1.00 22.71 ? 522 HOH A O 1 -HETATM 6126 O O . HOH Q 12 . ? 31.785 16.068 -31.640 1.00 31.00 ? 523 HOH A O 1 -HETATM 6127 O O . HOH Q 12 . ? 25.322 3.519 -18.036 1.00 52.13 ? 524 HOH A O 1 -HETATM 6128 O O . HOH Q 12 . ? 0.189 33.909 -24.603 1.00 58.60 ? 525 HOH A O 1 -HETATM 6129 O O . HOH Q 12 . ? -13.917 30.075 -8.921 1.00 50.11 ? 526 HOH A O 1 -HETATM 6130 O O . HOH Q 12 . ? -19.447 20.271 -38.644 1.00 48.16 ? 527 HOH A O 1 -HETATM 6131 O O . HOH Q 12 . ? -10.654 32.843 -15.288 1.00 42.06 ? 528 HOH A O 1 -HETATM 6132 O O . HOH Q 12 . ? 31.954 12.640 -36.060 1.00 52.70 ? 529 HOH A O 1 -HETATM 6133 O O . HOH Q 12 . ? -1.366 29.858 -27.073 1.00 47.88 ? 530 HOH A O 1 -HETATM 6134 O O . HOH Q 12 . ? 5.458 9.082 -5.490 1.00 41.01 ? 531 HOH A O 1 -HETATM 6135 O O . HOH Q 12 . ? -20.468 1.896 -30.399 1.00 26.77 ? 532 HOH A O 1 -HETATM 6136 O O . HOH Q 12 . ? -0.226 9.577 1.206 1.00 37.49 ? 533 HOH A O 1 -HETATM 6137 O O . HOH Q 12 . ? -36.118 19.555 -21.132 1.00 39.30 ? 534 HOH A O 1 -HETATM 6138 O O . HOH Q 12 . ? -19.441 11.130 -42.836 1.00 38.58 ? 535 HOH A O 1 -HETATM 6139 O O . HOH Q 12 . ? 6.778 3.634 -21.949 1.00 35.27 ? 536 HOH A O 1 -HETATM 6140 O O . HOH Q 12 . ? -0.340 15.133 -24.996 1.00 20.48 ? 537 HOH A O 1 -HETATM 6141 O O . HOH Q 12 . ? 2.721 20.302 -31.818 1.00 18.51 ? 538 HOH A O 1 -HETATM 6142 O O . HOH Q 12 . ? -8.531 29.134 -20.631 1.00 43.03 ? 539 HOH A O 1 -HETATM 6143 O O . HOH Q 12 . ? -25.693 6.323 -32.730 1.00 23.27 ? 540 HOH A O 1 -HETATM 6144 O O . HOH Q 12 . ? -25.982 0.363 -15.925 1.00 29.45 ? 541 HOH A O 1 -HETATM 6145 O O . HOH Q 12 . ? -11.256 26.782 2.544 1.00 53.51 ? 542 HOH A O 1 -HETATM 6146 O O . HOH Q 12 . ? -21.510 12.913 -40.833 1.00 37.73 ? 543 HOH A O 1 -HETATM 6147 O O . HOH Q 12 . ? 11.126 28.822 -14.667 1.00 48.60 ? 544 HOH A O 1 -HETATM 6148 O O . HOH Q 12 . ? -17.772 -2.993 -33.537 1.00 62.34 ? 545 HOH A O 1 -HETATM 6149 O O . HOH Q 12 . ? 2.113 3.162 -5.742 1.00 51.65 ? 546 HOH A O 1 -HETATM 6150 O O . HOH Q 12 . ? 0.693 12.372 0.245 1.00 35.31 ? 547 HOH A O 1 -HETATM 6151 O O . HOH Q 12 . ? -18.510 1.467 -3.267 1.00 30.52 ? 548 HOH A O 1 -HETATM 6152 O O . HOH Q 12 . ? -17.018 8.559 -40.349 1.00 28.83 ? 549 HOH A O 1 -HETATM 6153 O O . HOH Q 12 . ? -0.182 17.076 -29.242 1.00 16.38 ? 550 HOH A O 1 -HETATM 6154 O O . HOH Q 12 . ? 6.877 20.656 -32.458 1.00 39.93 ? 551 HOH A O 1 -HETATM 6155 O O . HOH Q 12 . ? 3.030 15.199 -35.539 1.00 29.99 ? 552 HOH A O 1 -HETATM 6156 O O . HOH Q 12 . ? -28.860 1.206 -21.715 1.00 26.90 ? 553 HOH A O 1 -HETATM 6157 O O . HOH Q 12 . ? -9.241 9.834 3.728 1.00 25.41 ? 554 HOH A O 1 -HETATM 6158 O O . HOH Q 12 . ? 13.514 18.197 -31.714 1.00 54.28 ? 555 HOH A O 1 -HETATM 6159 O O . HOH Q 12 . ? -22.724 -2.700 -6.157 1.00 52.79 ? 556 HOH A O 1 -HETATM 6160 O O . HOH Q 12 . ? -12.712 30.897 -33.308 1.00 34.61 ? 557 HOH A O 1 -HETATM 6161 O O . HOH Q 12 . ? -6.255 -0.469 -31.810 1.00 21.66 ? 558 HOH A O 1 -HETATM 6162 O O . HOH Q 12 . ? -11.128 10.607 -12.365 1.00 15.66 ? 559 HOH A O 1 -HETATM 6163 O O . HOH Q 12 . ? -12.335 28.638 -4.301 1.00 56.55 ? 560 HOH A O 1 -HETATM 6164 O O . HOH Q 12 . ? -29.615 30.734 -20.548 1.00 27.89 ? 561 HOH A O 1 -HETATM 6165 O O . HOH Q 12 . ? -17.301 0.829 -21.328 1.00 39.78 ? 562 HOH A O 1 -HETATM 6166 O O . HOH Q 12 . ? -12.795 16.926 -28.272 1.00 20.96 ? 563 HOH A O 1 -HETATM 6167 O O . HOH Q 12 . ? -9.845 14.156 -41.102 1.00 28.62 ? 564 HOH A O 1 -HETATM 6168 O O . HOH Q 12 . ? 0.752 1.438 -26.803 1.00 33.71 ? 565 HOH A O 1 -HETATM 6169 O O . HOH Q 12 . ? 1.141 13.216 -6.111 1.00 16.78 ? 566 HOH A O 1 -HETATM 6170 O O . HOH Q 12 . ? -16.987 24.327 -32.882 1.00 19.77 ? 567 HOH A O 1 -HETATM 6171 O O . HOH Q 12 . ? -30.310 4.488 -11.682 1.00 36.66 ? 568 HOH A O 1 -HETATM 6172 O O . HOH Q 12 . ? -26.742 37.552 -24.904 1.00 50.63 ? 569 HOH A O 1 -HETATM 6173 O O . HOH Q 12 . ? -2.417 6.043 -31.888 1.00 18.29 ? 570 HOH A O 1 -HETATM 6174 O O . HOH Q 12 . ? -23.553 17.835 -37.216 1.00 40.95 ? 571 HOH A O 1 -HETATM 6175 O O . HOH Q 12 . ? -8.686 0.039 -27.591 1.00 24.52 ? 572 HOH A O 1 -HETATM 6176 O O . HOH Q 12 . ? -7.797 3.391 -11.015 1.00 19.69 ? 573 HOH A O 1 -HETATM 6177 O O . HOH Q 12 . ? 10.253 26.996 -22.160 1.00 54.81 ? 574 HOH A O 1 -HETATM 6178 O O . HOH Q 12 . ? -21.472 17.411 -0.642 1.00 21.96 ? 575 HOH A O 1 -HETATM 6179 O O . HOH Q 12 . ? -11.962 1.768 -3.357 1.00 41.60 ? 576 HOH A O 1 -HETATM 6180 O O . HOH Q 12 . ? -24.868 -4.658 -14.546 1.00 44.85 ? 577 HOH A O 1 -HETATM 6181 O O . HOH Q 12 . ? 26.050 19.386 -14.204 1.00 51.92 ? 578 HOH A O 1 -HETATM 6182 O O . HOH Q 12 . ? -34.361 10.487 -20.191 1.00 21.21 ? 579 HOH A O 1 -HETATM 6183 O O . HOH Q 12 . ? -16.476 11.722 -18.340 1.00 17.96 ? 580 HOH A O 1 -HETATM 6184 O O . HOH Q 12 . ? -26.814 30.465 -9.422 1.00 26.10 ? 581 HOH A O 1 -HETATM 6185 O O . HOH Q 12 . ? 0.067 26.345 -11.271 1.00 20.13 ? 582 HOH A O 1 -HETATM 6186 O O . HOH Q 12 . ? 12.712 11.654 -28.585 1.00 40.25 ? 583 HOH A O 1 -HETATM 6187 O O . HOH Q 12 . ? -9.223 25.826 -1.229 1.00 41.55 ? 584 HOH A O 1 -HETATM 6188 O O . HOH Q 12 . ? -15.663 33.121 -27.991 1.00 48.41 ? 585 HOH A O 1 -HETATM 6189 O O . HOH Q 12 . ? -7.832 31.258 -11.540 1.00 43.88 ? 586 HOH A O 1 -HETATM 6190 O O . HOH Q 12 . ? -21.152 4.792 -9.353 1.00 36.32 ? 587 HOH A O 1 -HETATM 6191 O O . HOH Q 12 . ? -29.187 10.623 0.352 1.00 31.03 ? 588 HOH A O 1 -HETATM 6192 O O . HOH Q 12 . ? -1.003 3.755 -34.636 1.00 26.30 ? 589 HOH A O 1 -HETATM 6193 O O . HOH Q 12 . ? -22.139 5.673 -12.441 1.00 31.43 ? 590 HOH A O 1 -HETATM 6194 O O . HOH Q 12 . ? -13.384 19.307 -2.852 1.00 16.77 ? 591 HOH A O 1 -HETATM 6195 O O . HOH Q 12 . ? -27.292 26.140 -30.276 1.00 38.70 ? 592 HOH A O 1 -HETATM 6196 O O . HOH Q 12 . ? -15.977 19.745 -28.188 1.00 18.33 ? 593 HOH A O 1 -HETATM 6197 O O . HOH Q 12 . ? 19.736 10.036 -22.273 1.00 65.24 ? 594 HOH A O 1 -HETATM 6198 O O . HOH Q 12 . ? 26.343 12.134 -30.096 1.00 57.68 ? 595 HOH A O 1 -HETATM 6199 O O . HOH Q 12 . ? -22.053 6.331 -40.313 1.00 36.31 ? 596 HOH A O 1 -HETATM 6200 O O . HOH Q 12 . ? -0.839 25.488 -31.136 1.00 30.64 ? 597 HOH A O 1 -HETATM 6201 O O . HOH Q 12 . ? -14.636 17.588 -34.810 1.00 19.30 ? 598 HOH A O 1 -HETATM 6202 O O . HOH Q 12 . ? -32.304 6.511 -25.025 1.00 29.85 ? 599 HOH A O 1 -HETATM 6203 O O . HOH Q 12 . ? -4.580 25.139 -5.949 1.00 17.49 ? 600 HOH A O 1 -HETATM 6204 O O . HOH Q 12 . ? -15.146 30.748 -11.198 1.00 26.87 ? 601 HOH A O 1 -HETATM 6205 O O . HOH Q 12 . ? -1.538 33.659 -15.155 1.00 58.65 ? 602 HOH A O 1 -HETATM 6206 O O . HOH Q 12 . ? -17.973 -2.923 -18.582 1.00 69.52 ? 603 HOH A O 1 -HETATM 6207 O O . HOH Q 12 . ? -32.419 8.709 -14.195 1.00 46.94 ? 604 HOH A O 1 -HETATM 6208 O O . HOH Q 12 . ? -28.792 29.221 -8.030 1.00 24.15 ? 605 HOH A O 1 -HETATM 6209 O O . HOH Q 12 . ? -3.210 25.173 -3.460 1.00 23.18 ? 606 HOH A O 1 -HETATM 6210 O O . HOH Q 12 . ? -7.604 31.165 -15.243 1.00 54.73 ? 607 HOH A O 1 -HETATM 6211 O O . HOH Q 12 . ? 7.045 16.165 -34.574 1.00 35.82 ? 608 HOH A O 1 -HETATM 6212 O O . HOH Q 12 . ? -20.241 30.578 -9.228 1.00 37.21 ? 609 HOH A O 1 -HETATM 6213 O O . HOH Q 12 . ? -20.442 31.912 -11.920 1.00 25.05 ? 610 HOH A O 1 -HETATM 6214 O O . HOH Q 12 . ? -6.460 23.379 -36.316 1.00 17.84 ? 611 HOH A O 1 -HETATM 6215 O O . HOH Q 12 . ? 1.342 8.830 -30.807 1.00 23.32 ? 612 HOH A O 1 -HETATM 6216 O O . HOH Q 12 . ? -3.633 15.850 -2.853 1.00 17.86 ? 613 HOH A O 1 -HETATM 6217 O O . HOH Q 12 . ? -3.689 33.216 -21.746 1.00 44.06 ? 614 HOH A O 1 -HETATM 6218 O O . HOH Q 12 . ? 14.805 3.627 -24.971 1.00 53.15 ? 615 HOH A O 1 -HETATM 6219 O O . HOH Q 12 . ? -31.949 12.507 -2.458 1.00 31.25 ? 616 HOH A O 1 -HETATM 6220 O O . HOH Q 12 . ? -5.378 19.266 -3.422 1.00 17.10 ? 617 HOH A O 1 -HETATM 6221 O O . HOH Q 12 . ? -8.136 24.302 -3.206 1.00 24.99 ? 618 HOH A O 1 -HETATM 6222 O O . HOH Q 12 . ? -4.919 19.956 0.309 1.00 22.53 ? 619 HOH A O 1 -HETATM 6223 O O . HOH Q 12 . ? -1.748 26.645 -13.316 1.00 23.41 ? 620 HOH A O 1 -HETATM 6224 O O . HOH Q 12 . ? 0.903 21.902 1.340 1.00 28.97 ? 621 HOH A O 1 -HETATM 6225 O O . HOH Q 12 . ? 5.606 18.376 -34.061 1.00 31.05 ? 622 HOH A O 1 -HETATM 6226 O O . HOH Q 12 . ? -6.979 28.918 -16.427 1.00 41.11 ? 623 HOH A O 1 -HETATM 6227 O O . HOH Q 12 . ? -18.365 36.907 -16.324 1.00 44.64 ? 624 HOH A O 1 -HETATM 6228 O O . HOH Q 12 . ? -18.195 -1.150 -29.755 1.00 40.07 ? 625 HOH A O 1 -HETATM 6229 O O . HOH Q 12 . ? -17.176 2.107 -23.368 1.00 34.92 ? 626 HOH A O 1 -HETATM 6230 O O . HOH Q 12 . ? -8.252 0.935 -12.397 1.00 22.03 ? 627 HOH A O 1 -HETATM 6231 O O . HOH Q 12 . ? -8.503 35.168 -21.734 1.00 25.55 ? 628 HOH A O 1 -HETATM 6232 O O . HOH Q 12 . ? -2.242 12.676 -42.388 1.00 52.46 ? 629 HOH A O 1 -HETATM 6233 O O . HOH Q 12 . ? -9.902 -0.228 -22.822 1.00 22.17 ? 630 HOH A O 1 -HETATM 6234 O O . HOH Q 12 . ? -29.247 3.527 -8.201 1.00 31.81 ? 631 HOH A O 1 -HETATM 6235 O O . HOH Q 12 . ? -32.086 22.862 -6.282 1.00 27.72 ? 632 HOH A O 1 -HETATM 6236 O O . HOH Q 12 . ? -32.091 12.932 -5.277 1.00 29.53 ? 633 HOH A O 1 -HETATM 6237 O O . HOH Q 12 . ? -17.133 16.883 -40.054 1.00 22.38 ? 634 HOH A O 1 -HETATM 6238 O O . HOH Q 12 . ? -32.260 11.250 -11.032 1.00 26.68 ? 635 HOH A O 1 -HETATM 6239 O O . HOH Q 12 . ? 15.019 6.819 -8.788 1.00 35.56 ? 636 HOH A O 1 -HETATM 6240 O O . HOH Q 12 . ? -10.544 -0.933 -31.663 1.00 28.29 ? 637 HOH A O 1 -HETATM 6241 O O . HOH Q 12 . ? -7.685 1.760 -4.210 1.00 45.41 ? 638 HOH A O 1 -HETATM 6242 O O . HOH Q 12 . ? -13.602 3.326 -8.040 1.00 50.79 ? 639 HOH A O 1 -HETATM 6243 O O . HOH Q 12 . ? -4.828 15.152 -15.640 1.00 14.27 ? 640 HOH A O 1 -HETATM 6244 O O . HOH Q 12 . ? -28.050 33.039 -17.270 1.00 32.39 ? 641 HOH A O 1 -HETATM 6245 O O . HOH Q 12 . ? -8.864 22.700 -0.280 1.00 40.91 ? 642 HOH A O 1 -HETATM 6246 O O . HOH Q 12 . ? -5.710 9.248 5.254 1.00 38.34 ? 643 HOH A O 1 -HETATM 6247 O O . HOH Q 12 . ? 9.687 24.796 -3.342 1.00 53.73 ? 644 HOH A O 1 -HETATM 6248 O O . HOH Q 12 . ? -35.243 23.488 -18.137 1.00 44.90 ? 645 HOH A O 1 -HETATM 6249 O O . HOH Q 12 . ? 2.192 10.063 -2.942 1.00 24.78 ? 646 HOH A O 1 -HETATM 6250 O O . HOH Q 12 . ? 1.145 7.531 -34.973 1.00 37.64 ? 647 HOH A O 1 -HETATM 6251 O O . HOH Q 12 . ? 0.496 1.527 -21.655 1.00 36.85 ? 648 HOH A O 1 -HETATM 6252 O O . HOH Q 12 . ? -17.804 6.144 -36.523 1.00 20.08 ? 649 HOH A O 1 -HETATM 6253 O O . HOH Q 12 . ? -16.357 9.074 -16.311 1.00 30.66 ? 650 HOH A O 1 -HETATM 6254 O O . HOH Q 12 . ? -23.168 26.702 -4.626 1.00 21.69 ? 651 HOH A O 1 -HETATM 6255 O O . HOH Q 12 . ? 13.345 13.218 -7.443 1.00 35.81 ? 652 HOH A O 1 -HETATM 6256 O O . HOH Q 12 . ? -14.018 26.975 -7.123 1.00 26.23 ? 653 HOH A O 1 -HETATM 6257 O O . HOH Q 12 . ? -6.340 23.173 -5.437 1.00 21.76 ? 654 HOH A O 1 -HETATM 6258 O O . HOH Q 12 . ? 14.632 1.002 -16.969 1.00 28.18 ? 655 HOH A O 1 -HETATM 6259 O O . HOH Q 12 . ? -13.254 -2.191 -35.389 1.00 37.62 ? 656 HOH A O 1 -HETATM 6260 O O . HOH Q 12 . ? 1.036 19.486 -29.691 1.00 16.72 ? 657 HOH A O 1 -HETATM 6261 O O . HOH Q 12 . ? -20.599 1.920 -10.056 1.00 40.11 ? 658 HOH A O 1 -HETATM 6262 O O . HOH Q 12 . ? -9.170 1.404 -8.831 1.00 53.84 ? 659 HOH A O 1 -HETATM 6263 O O . HOH Q 12 . ? -10.468 29.153 -6.468 1.00 30.38 ? 660 HOH A O 1 -HETATM 6264 O O . HOH Q 12 . ? 4.266 6.633 0.492 1.00 61.51 ? 661 HOH A O 1 -HETATM 6265 O O . HOH Q 12 . ? -9.545 10.755 -21.713 1.00 26.42 ? 662 HOH A O 1 -HETATM 6266 O O . HOH Q 12 . ? -9.873 17.192 -41.315 1.00 27.72 ? 663 HOH A O 1 -HETATM 6267 O O . HOH Q 12 . ? -11.505 9.538 2.085 1.00 26.38 ? 664 HOH A O 1 -HETATM 6268 O O . HOH Q 12 . ? 0.740 30.266 -8.913 1.00 33.42 ? 665 HOH A O 1 -HETATM 6269 O O . HOH Q 12 . ? -7.011 32.906 -9.025 1.00 56.44 ? 666 HOH A O 1 -HETATM 6270 O O . HOH Q 12 . ? -15.990 20.424 -22.917 1.00 15.54 ? 667 HOH A O 1 -HETATM 6271 O O . HOH Q 12 . ? 25.734 17.226 -20.381 1.00 60.23 ? 668 HOH A O 1 -HETATM 6272 O O . HOH Q 12 . ? 0.911 5.162 -28.498 1.00 36.69 ? 669 HOH A O 1 -HETATM 6273 O O . HOH Q 12 . ? -23.484 -0.343 -26.798 1.00 58.56 ? 670 HOH A O 1 -HETATM 6274 O O . HOH Q 12 . ? 3.134 2.065 -20.374 1.00 21.34 ? 671 HOH A O 1 -HETATM 6275 O O . HOH Q 12 . ? -10.789 5.844 -31.455 1.00 16.41 ? 672 HOH A O 1 -HETATM 6276 O O . HOH Q 12 . ? -13.052 18.224 -22.779 1.00 15.54 ? 673 HOH A O 1 -HETATM 6277 O O . HOH Q 12 . ? -14.773 18.967 -5.213 1.00 15.99 ? 674 HOH A O 1 -HETATM 6278 O O . HOH Q 12 . ? -18.701 33.421 -29.805 1.00 36.43 ? 675 HOH A O 1 -HETATM 6279 O O . HOH Q 12 . ? 5.884 25.231 -28.131 1.00 47.66 ? 676 HOH A O 1 -HETATM 6280 O O . HOH Q 12 . ? -15.871 28.936 -7.432 1.00 29.60 ? 677 HOH A O 1 -HETATM 6281 O O . HOH Q 12 . ? -16.338 5.019 1.470 1.00 37.39 ? 678 HOH A O 1 -HETATM 6282 O O . HOH Q 12 . ? -0.612 6.078 -37.417 1.00 49.99 ? 679 HOH A O 1 -HETATM 6283 O O . HOH Q 12 . ? -34.747 22.701 -25.676 1.00 37.99 ? 680 HOH A O 1 -HETATM 6284 O O . HOH Q 12 . ? -7.814 2.490 -37.550 1.00 26.85 ? 681 HOH A O 1 -HETATM 6285 O O . HOH Q 12 . ? 5.368 28.020 -22.349 1.00 29.29 ? 682 HOH A O 1 -HETATM 6286 O O . HOH Q 12 . ? -30.178 7.866 -8.675 1.00 26.35 ? 683 HOH A O 1 -HETATM 6287 O O . HOH Q 12 . ? -5.060 31.275 -14.721 1.00 39.37 ? 684 HOH A O 1 -HETATM 6288 O O . HOH Q 12 . ? 0.775 17.058 1.601 1.00 34.29 ? 685 HOH A O 1 -HETATM 6289 O O . HOH Q 12 . ? -25.509 9.939 -34.440 1.00 30.14 ? 686 HOH A O 1 -HETATM 6290 O O . HOH Q 12 . ? -31.898 24.591 -26.855 1.00 28.58 ? 687 HOH A O 1 -HETATM 6291 O O . HOH Q 12 . ? 18.506 23.044 -22.294 1.00 49.45 ? 688 HOH A O 1 -HETATM 6292 O O . HOH Q 12 . ? -32.530 5.962 -14.513 1.00 35.63 ? 689 HOH A O 1 -HETATM 6293 O O . HOH Q 12 . ? -20.143 8.587 0.362 1.00 39.53 ? 690 HOH A O 1 -HETATM 6294 O O . HOH Q 12 . ? 25.284 6.462 -12.432 1.00 50.85 ? 691 HOH A O 1 -HETATM 6295 O O . HOH Q 12 . ? 1.938 1.226 -24.754 1.00 50.75 ? 692 HOH A O 1 -HETATM 6296 O O . HOH Q 12 . ? -1.141 32.938 -18.717 1.00 42.62 ? 693 HOH A O 1 -HETATM 6297 O O . HOH Q 12 . ? -19.795 -0.664 -11.393 1.00 48.20 ? 694 HOH A O 1 -HETATM 6298 O O . HOH Q 12 . ? 24.414 12.678 -25.466 1.00 43.99 ? 695 HOH A O 1 -HETATM 6299 O O . HOH Q 12 . ? -21.596 -8.099 -10.207 1.00 42.07 ? 696 HOH A O 1 -HETATM 6300 O O . HOH Q 12 . ? -19.904 21.542 -34.874 1.00 26.79 ? 697 HOH A O 1 -HETATM 6301 O O . HOH Q 12 . ? -20.143 0.344 -21.809 1.00 29.31 ? 698 HOH A O 1 -HETATM 6302 O O . HOH Q 12 . ? 2.966 25.149 -27.523 1.00 28.52 ? 699 HOH A O 1 -HETATM 6303 O O . HOH Q 12 . ? -1.013 15.665 -38.748 1.00 53.53 ? 700 HOH A O 1 -HETATM 6304 O O B HOH Q 12 . ? -12.068 26.462 -3.019 1.00 26.67 ? 701 HOH A O 1 -HETATM 6305 O O . HOH Q 12 . ? 7.672 12.617 -3.223 1.00 26.42 ? 702 HOH A O 1 -HETATM 6306 O O . HOH Q 12 . ? -9.627 20.239 -43.323 1.00 42.32 ? 703 HOH A O 1 -HETATM 6307 O O . HOH Q 12 . ? 10.638 22.140 -9.993 1.00 31.74 ? 704 HOH A O 1 -HETATM 6308 O O . HOH Q 12 . ? -5.343 32.149 -4.426 1.00 46.74 ? 705 HOH A O 1 -HETATM 6309 O O . HOH Q 12 . ? 4.302 8.834 -2.263 1.00 52.75 ? 706 HOH A O 1 -HETATM 6310 O O . HOH Q 12 . ? -29.736 24.583 -30.018 1.00 37.65 ? 707 HOH A O 1 -HETATM 6311 O O . HOH Q 12 . ? -22.072 34.809 -28.756 1.00 28.03 ? 708 HOH A O 1 -HETATM 6312 O O . HOH Q 12 . ? -14.858 10.348 -40.557 1.00 28.45 ? 709 HOH A O 1 -HETATM 6313 O O . HOH Q 12 . ? -36.551 22.234 -24.060 1.00 52.21 ? 710 HOH A O 1 -HETATM 6314 O O . HOH Q 12 . ? -7.352 0.018 -22.114 1.00 25.32 ? 711 HOH A O 1 -HETATM 6315 O O . HOH Q 12 . ? -4.642 11.652 -15.306 1.00 13.41 ? 712 HOH A O 1 -HETATM 6316 O O . HOH Q 12 . ? -0.360 9.713 -1.704 1.00 25.43 ? 713 HOH A O 1 -HETATM 6317 O O . HOH Q 12 . ? -0.269 32.452 -9.823 1.00 48.54 ? 714 HOH A O 1 -HETATM 6318 O O . HOH Q 12 . ? 28.466 7.388 -27.828 1.00 46.89 ? 715 HOH A O 1 -HETATM 6319 O O B HOH Q 12 . ? -14.398 26.310 -1.395 0.60 20.49 ? 716 HOH A O 1 -HETATM 6320 O O . HOH Q 12 . ? 22.433 10.661 -23.068 1.00 47.35 ? 717 HOH A O 1 -HETATM 6321 O O . HOH Q 12 . ? -31.178 27.866 -28.289 1.00 46.68 ? 718 HOH A O 1 -HETATM 6322 O O . HOH Q 12 . ? 15.642 23.879 -26.165 1.00 36.50 ? 719 HOH A O 1 -HETATM 6323 O O . HOH Q 12 . ? -35.829 8.124 -14.759 1.00 47.12 ? 720 HOH A O 1 -HETATM 6324 O O . HOH Q 12 . ? -25.519 0.822 -27.765 1.00 29.38 ? 721 HOH A O 1 -HETATM 6325 O O . HOH Q 12 . ? -30.003 5.827 -30.667 1.00 31.31 ? 722 HOH A O 1 -HETATM 6326 O O . HOH Q 12 . ? -16.550 5.782 -16.288 1.00 21.93 ? 723 HOH A O 1 -HETATM 6327 O O . HOH Q 12 . ? -1.954 -0.542 -29.046 1.00 27.84 ? 724 HOH A O 1 -HETATM 6328 O O . HOH Q 12 . ? -19.328 4.495 -11.932 1.00 56.59 ? 725 HOH A O 1 -HETATM 6329 O O . HOH Q 12 . ? 16.408 5.965 -22.586 1.00 30.76 ? 726 HOH A O 1 -HETATM 6330 O O . HOH Q 12 . ? -27.081 0.612 -11.051 1.00 27.59 ? 727 HOH A O 1 -HETATM 6331 O O . HOH Q 12 . ? -13.814 16.643 -2.356 1.00 22.88 ? 728 HOH A O 1 -HETATM 6332 O O . HOH Q 12 . ? -7.258 27.603 -37.934 1.00 30.23 ? 729 HOH A O 1 -HETATM 6333 O O . HOH Q 12 . ? -6.887 22.102 -1.669 1.00 43.84 ? 730 HOH A O 1 -HETATM 6334 O O . HOH Q 12 . ? -29.266 -1.051 -17.918 1.00 28.59 ? 731 HOH A O 1 -HETATM 6335 O O . HOH Q 12 . ? -19.944 21.837 -0.611 1.00 31.92 ? 732 HOH A O 1 -HETATM 6336 O O . HOH Q 12 . ? -12.553 18.551 -42.220 1.00 37.19 ? 733 HOH A O 1 -HETATM 6337 O O . HOH Q 12 . ? -21.840 3.151 -37.694 1.00 31.83 ? 734 HOH A O 1 -HETATM 6338 O O . HOH Q 12 . ? -33.586 26.757 -12.382 1.00 34.68 ? 735 HOH A O 1 -HETATM 6339 O O . HOH Q 12 . ? -6.125 26.117 -35.900 1.00 20.37 ? 736 HOH A O 1 -HETATM 6340 O O . HOH Q 12 . ? 24.541 5.329 -21.294 1.00 38.72 ? 737 HOH A O 1 -HETATM 6341 O O . HOH Q 12 . ? -11.297 39.238 -17.751 1.00 52.71 ? 738 HOH A O 1 -HETATM 6342 O O . HOH Q 12 . ? -17.114 28.140 -30.833 1.00 38.40 ? 739 HOH A O 1 -HETATM 6343 O O . HOH Q 12 . ? -12.111 32.325 -11.202 1.00 53.93 ? 740 HOH A O 1 -HETATM 6344 O O . HOH Q 12 . ? 7.141 1.924 -16.591 1.00 36.16 ? 741 HOH A O 1 -HETATM 6345 O O . HOH Q 12 . ? -4.745 19.673 -41.065 1.00 24.20 ? 742 HOH A O 1 -HETATM 6346 O O . HOH Q 12 . ? -20.896 30.256 -6.034 1.00 29.16 ? 743 HOH A O 1 -HETATM 6347 O O . HOH Q 12 . ? -23.132 3.181 -2.552 1.00 47.02 ? 744 HOH A O 1 -HETATM 6348 O O . HOH Q 12 . ? 1.803 6.783 -26.460 1.00 21.95 ? 745 HOH A O 1 -HETATM 6349 O O . HOH Q 12 . ? -16.562 30.805 -27.879 1.00 39.08 ? 746 HOH A O 1 -HETATM 6350 O O . HOH Q 12 . ? 9.469 3.865 -12.653 1.00 32.45 ? 747 HOH A O 1 -HETATM 6351 O O . HOH Q 12 . ? 3.498 27.591 -25.876 1.00 37.66 ? 748 HOH A O 1 -HETATM 6352 O O . HOH Q 12 . ? -32.191 26.488 -24.797 1.00 32.65 ? 749 HOH A O 1 -HETATM 6353 O O . HOH Q 12 . ? -8.568 33.914 -33.661 1.00 50.92 ? 750 HOH A O 1 -HETATM 6354 O O . HOH Q 12 . ? 3.362 9.156 -34.154 1.00 51.36 ? 751 HOH A O 1 -HETATM 6355 O O . HOH Q 12 . ? 8.232 10.790 -31.156 1.00 34.75 ? 752 HOH A O 1 -HETATM 6356 O O . HOH Q 12 . ? -16.540 14.360 -40.701 1.00 21.37 ? 753 HOH A O 1 -HETATM 6357 O O . HOH Q 12 . ? -14.842 1.053 -37.385 1.00 48.31 ? 754 HOH A O 1 -HETATM 6358 O O . HOH Q 12 . ? 2.395 11.104 3.379 1.00 35.26 ? 755 HOH A O 1 -HETATM 6359 O O . HOH Q 12 . ? -29.836 30.194 -28.736 1.00 50.70 ? 756 HOH A O 1 -HETATM 6360 O O . HOH Q 12 . ? 2.360 17.100 -37.476 1.00 38.40 ? 757 HOH A O 1 -HETATM 6361 O O . HOH Q 12 . ? 16.141 16.724 -26.109 1.00 31.49 ? 758 HOH A O 1 -HETATM 6362 O O . HOH Q 12 . ? -16.429 0.173 -7.169 1.00 55.30 ? 759 HOH A O 1 -HETATM 6363 O O . HOH Q 12 . ? -34.169 5.820 -16.821 1.00 56.98 ? 760 HOH A O 1 -HETATM 6364 O O . HOH Q 12 . ? -16.484 24.722 -35.544 1.00 40.79 ? 761 HOH A O 1 -HETATM 6365 O O . HOH Q 12 . ? 9.732 5.816 -20.112 1.00 42.57 ? 762 HOH A O 1 -HETATM 6366 O O . HOH Q 12 . ? -7.438 10.582 -22.143 1.00 24.60 ? 763 HOH A O 1 -HETATM 6367 O O . HOH Q 12 . ? -19.074 36.279 -13.295 1.00 42.16 ? 764 HOH A O 1 -HETATM 6368 O O . HOH Q 12 . ? 8.917 3.686 -15.427 1.00 30.05 ? 765 HOH A O 1 -HETATM 6369 O O . HOH Q 12 . ? -15.076 -2.736 -27.357 1.00 43.42 ? 766 HOH A O 1 -HETATM 6370 O O . HOH Q 12 . ? 9.471 13.967 -31.689 1.00 27.79 ? 767 HOH A O 1 -HETATM 6371 O O . HOH Q 12 . ? -18.846 26.043 -31.775 1.00 47.28 ? 768 HOH A O 1 -HETATM 6372 O O . HOH Q 12 . ? -23.468 34.307 -11.183 1.00 51.35 ? 769 HOH A O 1 -HETATM 6373 O O . HOH Q 12 . ? -15.363 34.280 -11.231 1.00 59.62 ? 770 HOH A O 1 -HETATM 6374 O O A HOH Q 12 . ? 8.484 25.589 -27.922 0.52 41.93 ? 771 HOH A O 1 -HETATM 6375 O O B HOH Q 12 . ? 8.526 20.471 -29.446 0.48 21.20 ? 771 HOH A O 1 -HETATM 6376 O O . HOH Q 12 . ? -11.408 34.620 -27.299 1.00 64.24 ? 772 HOH A O 1 -HETATM 6377 O O . HOH Q 12 . ? -0.849 9.681 5.724 1.00 56.55 ? 773 HOH A O 1 -HETATM 6378 O O . HOH Q 12 . ? -32.992 9.039 -23.740 1.00 22.71 ? 774 HOH A O 1 -HETATM 6379 O O . HOH Q 12 . ? 21.938 20.103 -14.807 1.00 45.39 ? 775 HOH A O 1 -HETATM 6380 O O . HOH Q 12 . ? -24.989 36.295 -22.935 1.00 43.64 ? 776 HOH A O 1 -HETATM 6381 O O . HOH Q 12 . ? -17.497 31.807 -10.150 1.00 42.58 ? 777 HOH A O 1 -HETATM 6382 O O . HOH Q 12 . ? -6.039 33.991 -21.055 1.00 51.79 ? 778 HOH A O 1 -HETATM 6383 O O . HOH Q 12 . ? -5.722 3.353 -2.720 1.00 31.55 ? 779 HOH A O 1 -HETATM 6384 O O . HOH Q 12 . ? -20.602 3.353 -13.238 1.00 49.37 ? 780 HOH A O 1 -HETATM 6385 O O . HOH Q 12 . ? 30.795 10.225 -34.368 1.00 50.36 ? 781 HOH A O 1 -HETATM 6386 O O . HOH Q 12 . ? -4.095 16.048 6.473 1.00 46.34 ? 782 HOH A O 1 -HETATM 6387 O O . HOH Q 12 . ? -10.643 19.894 -11.024 1.00 29.10 ? 783 HOH A O 1 -HETATM 6388 O O . HOH Q 12 . ? -20.098 17.061 1.818 1.00 45.90 ? 784 HOH A O 1 -HETATM 6389 O O . HOH Q 12 . ? -22.399 26.672 -31.710 1.00 40.21 ? 785 HOH A O 1 -HETATM 6390 O O . HOH Q 12 . ? -12.292 1.451 -38.498 1.00 58.52 ? 786 HOH A O 1 -HETATM 6391 O O . HOH Q 12 . ? -15.241 26.503 -37.757 1.00 67.68 ? 787 HOH A O 1 -HETATM 6392 O O . HOH Q 12 . ? 11.624 22.377 -7.447 1.00 52.63 ? 788 HOH A O 1 -HETATM 6393 O O . HOH Q 12 . ? -14.908 15.483 -0.198 1.00 48.52 ? 789 HOH A O 1 -HETATM 6394 O O . HOH Q 12 . ? 2.648 8.886 1.622 1.00 46.30 ? 790 HOH A O 1 -HETATM 6395 O O . HOH Q 12 . ? -35.723 18.440 -10.041 1.00 49.75 ? 791 HOH A O 1 -HETATM 6396 O O . HOH Q 12 . ? -25.079 11.193 3.911 1.00 53.09 ? 792 HOH A O 1 -HETATM 6397 O O . HOH Q 12 . ? -21.119 20.047 -36.478 1.00 52.60 ? 793 HOH A O 1 -HETATM 6398 O O . HOH Q 12 . ? -21.435 36.339 -17.224 1.00 55.11 ? 794 HOH A O 1 -HETATM 6399 O O . HOH Q 12 . ? -19.866 2.360 -36.360 1.00 53.59 ? 795 HOH A O 1 -HETATM 6400 O O . HOH Q 12 . ? 4.301 1.232 -6.716 1.00 49.92 ? 796 HOH A O 1 -HETATM 6401 O O . HOH Q 12 . ? -8.848 -1.103 -25.169 1.00 27.86 ? 797 HOH A O 1 -HETATM 6402 O O . HOH Q 12 . ? -15.414 4.231 -38.292 1.00 31.00 ? 798 HOH A O 1 -HETATM 6403 O O . HOH Q 12 . ? -31.933 31.636 -25.880 1.00 54.68 ? 799 HOH A O 1 -HETATM 6404 O O . HOH Q 12 . ? -30.505 36.420 -25.280 1.00 51.92 ? 800 HOH A O 1 -HETATM 6405 O O . HOH Q 12 . ? 16.456 16.460 -4.947 1.00 55.81 ? 801 HOH A O 1 -HETATM 6406 O O . HOH Q 12 . ? 14.058 8.305 -6.897 1.00 47.20 ? 802 HOH A O 1 -HETATM 6407 O O . HOH Q 12 . ? -18.658 4.930 -38.731 1.00 53.99 ? 803 HOH A O 1 -HETATM 6408 O O . HOH Q 12 . ? -1.803 22.962 0.366 1.00 39.78 ? 804 HOH A O 1 -HETATM 6409 O O . HOH Q 12 . ? -3.219 9.682 6.721 1.00 43.41 ? 805 HOH A O 1 -HETATM 6410 O O . HOH Q 12 . ? 19.131 17.233 -8.494 1.00 50.21 ? 806 HOH A O 1 -HETATM 6411 O O . HOH Q 12 . ? -34.006 8.014 -21.692 1.00 48.75 ? 807 HOH A O 1 -HETATM 6412 O O . HOH Q 12 . ? -25.537 11.937 -32.440 1.00 31.55 ? 808 HOH A O 1 -HETATM 6413 O O A HOH Q 12 . ? -22.717 0.234 -29.247 0.57 33.94 ? 809 HOH A O 1 -HETATM 6414 O O . HOH Q 12 . ? -16.470 1.316 -1.460 1.00 38.28 ? 810 HOH A O 1 -HETATM 6415 O O . HOH Q 12 . ? 19.952 17.855 -6.850 1.00 52.31 ? 811 HOH A O 1 -HETATM 6416 O O . HOH Q 12 . ? -16.056 38.993 -16.776 1.00 60.38 ? 812 HOH A O 1 -HETATM 6417 O O . HOH Q 12 . ? -26.578 -2.141 -11.565 1.00 49.99 ? 813 HOH A O 1 -HETATM 6418 O O . HOH Q 12 . ? -31.202 10.340 -8.680 1.00 31.49 ? 814 HOH A O 1 -HETATM 6419 O O . HOH Q 12 . ? -16.272 -0.431 -27.783 1.00 37.22 ? 815 HOH A O 1 -HETATM 6420 O O . HOH Q 12 . ? -17.925 2.161 -8.841 1.00 45.77 ? 816 HOH A O 1 -HETATM 6421 O O . HOH Q 12 . ? -25.948 36.669 -20.286 1.00 54.16 ? 817 HOH A O 1 -HETATM 6422 O O . HOH Q 12 . ? 7.411 2.005 -20.182 1.00 62.22 ? 818 HOH A O 1 -HETATM 6423 O O . HOH Q 12 . ? -24.540 13.440 -40.024 1.00 49.41 ? 819 HOH A O 1 -HETATM 6424 O O . HOH Q 12 . ? 19.011 2.307 -19.710 1.00 72.26 ? 820 HOH A O 1 -HETATM 6425 O O . HOH Q 12 . ? -8.438 36.408 -19.361 1.00 44.71 ? 821 HOH A O 1 -HETATM 6426 O O . HOH Q 12 . ? 2.756 9.244 -28.131 1.00 41.72 ? 822 HOH A O 1 -HETATM 6427 O O . HOH Q 12 . ? 7.877 6.549 -21.305 1.00 55.18 ? 823 HOH A O 1 -HETATM 6428 O O . HOH Q 12 . ? -21.812 36.651 -14.681 1.00 54.51 ? 824 HOH A O 1 -HETATM 6429 O O . HOH Q 12 . ? -35.130 20.333 -12.863 1.00 55.14 ? 825 HOH A O 1 -HETATM 6430 O O . HOH Q 12 . ? 7.932 14.244 -1.045 1.00 28.61 ? 826 HOH A O 1 -HETATM 6431 O O . HOH Q 12 . ? -10.330 -1.791 -29.122 1.00 32.90 ? 827 HOH A O 1 -HETATM 6432 O O . HOH Q 12 . ? -24.950 27.485 -31.687 1.00 47.37 ? 828 HOH A O 1 -HETATM 6433 O O . HOH Q 12 . ? -27.741 29.565 -5.431 1.00 36.51 ? 829 HOH A O 1 -HETATM 6434 O O . HOH Q 12 . ? -30.309 -0.897 -20.418 1.00 32.22 ? 830 HOH A O 1 -HETATM 6435 O O . HOH Q 12 . ? 15.366 13.070 -32.134 1.00 68.45 ? 831 HOH A O 1 -HETATM 6436 O O . HOH Q 12 . ? -4.177 30.082 -35.841 1.00 52.90 ? 832 HOH A O 1 -HETATM 6437 O O . HOH Q 12 . ? -0.527 18.623 3.659 1.00 29.16 ? 833 HOH A O 1 -HETATM 6438 O O . HOH Q 12 . ? 15.538 22.388 -28.423 1.00 32.17 ? 834 HOH A O 1 -HETATM 6439 O O . HOH Q 12 . ? -25.057 30.021 -5.334 1.00 47.27 ? 835 HOH A O 1 -HETATM 6440 O O . HOH Q 12 . ? 16.691 16.851 -30.577 1.00 51.64 ? 836 HOH A O 1 -HETATM 6441 O O . HOH Q 12 . ? 2.184 0.953 -6.819 1.00 57.87 ? 837 HOH A O 1 -HETATM 6442 O O . HOH Q 12 . ? -27.675 35.633 -18.166 1.00 51.21 ? 838 HOH A O 1 -HETATM 6443 O O . HOH Q 12 . ? -34.071 22.607 -14.072 1.00 41.83 ? 839 HOH A O 1 -HETATM 6444 O O . HOH Q 12 . ? 17.937 24.750 -24.737 1.00 54.26 ? 840 HOH A O 1 -HETATM 6445 O O . HOH Q 12 . ? -32.856 31.238 -18.108 1.00 58.67 ? 841 HOH A O 1 -HETATM 6446 O O . HOH Q 12 . ? 1.890 28.301 -11.363 1.00 48.85 ? 842 HOH A O 1 -HETATM 6447 O O . HOH Q 12 . ? 1.084 33.123 -17.006 1.00 55.94 ? 843 HOH A O 1 -HETATM 6448 O O . HOH Q 12 . ? -18.263 22.818 1.164 1.00 44.17 ? 844 HOH A O 1 -HETATM 6449 O O . HOH Q 12 . ? 18.347 4.056 -21.334 1.00 50.61 ? 845 HOH A O 1 -HETATM 6450 O O . HOH Q 12 . ? 14.028 20.031 -28.610 1.00 36.93 ? 846 HOH A O 1 -HETATM 6451 O O . HOH Q 12 . ? -4.021 27.530 -34.930 1.00 28.71 ? 847 HOH A O 1 -HETATM 6452 O O . HOH Q 12 . ? 5.258 30.349 -20.742 1.00 53.33 ? 848 HOH A O 1 -HETATM 6453 O O . HOH Q 12 . ? 12.749 14.782 -5.299 1.00 51.05 ? 849 HOH A O 1 -HETATM 6454 O O . HOH Q 12 . ? -32.682 10.538 -6.315 1.00 43.62 ? 850 HOH A O 1 -HETATM 6455 O O . HOH Q 12 . ? -2.997 32.947 -27.010 1.00 49.82 ? 851 HOH A O 1 -HETATM 6456 O O . HOH Q 12 . ? -8.608 36.821 -23.965 1.00 49.52 ? 852 HOH A O 1 -HETATM 6457 O O . HOH Q 12 . ? -31.275 9.384 -12.300 1.00 36.90 ? 853 HOH A O 1 -HETATM 6458 O O . HOH Q 12 . ? -9.224 24.878 -40.140 1.00 49.04 ? 854 HOH A O 1 -HETATM 6459 O O . HOH Q 12 . ? -29.556 0.808 -9.907 1.00 45.18 ? 855 HOH A O 1 -HETATM 6460 O O . HOH Q 12 . ? -2.859 11.429 -40.795 1.00 63.98 ? 856 HOH A O 1 -HETATM 6461 O O . HOH Q 12 . ? 5.396 28.834 -25.135 1.00 50.13 ? 857 HOH A O 1 -HETATM 6462 O O . HOH Q 12 . ? -30.014 32.803 -19.098 1.00 42.39 ? 858 HOH A O 1 -HETATM 6463 O O . HOH Q 12 . ? -14.526 12.801 -41.362 1.00 40.05 ? 859 HOH A O 1 -HETATM 6464 O O . HOH Q 12 . ? 1.665 6.031 -30.943 1.00 28.39 ? 860 HOH A O 1 -HETATM 6465 O O . HOH Q 12 . ? 28.197 3.694 -17.794 1.00 51.65 ? 861 HOH A O 1 -HETATM 6466 O O . HOH Q 12 . ? -0.043 5.768 -33.161 1.00 26.93 ? 862 HOH A O 1 -HETATM 6467 O O . HOH Q 12 . ? -18.829 29.555 2.369 1.00 71.75 ? 863 HOH A O 1 -HETATM 6468 O O . HOH Q 12 . ? -11.318 -3.082 -33.279 1.00 44.13 ? 864 HOH A O 1 -HETATM 6469 O O . HOH Q 12 . ? 26.081 2.239 -15.771 1.00 53.81 ? 865 HOH A O 1 -HETATM 6470 O O . HOH Q 12 . ? 18.362 6.197 -20.090 1.00 51.22 ? 866 HOH A O 1 -HETATM 6471 O O . HOH Q 12 . ? -27.299 7.886 -34.247 1.00 49.84 ? 867 HOH A O 1 -HETATM 6472 O O . HOH Q 12 . ? -30.613 6.014 -6.798 1.00 46.31 ? 868 HOH A O 1 -HETATM 6473 O O . HOH Q 12 . ? -31.168 2.349 -22.542 1.00 46.50 ? 869 HOH A O 1 -HETATM 6474 O O . HOH Q 12 . ? -14.080 4.400 -40.735 1.00 57.20 ? 870 HOH A O 1 -HETATM 6475 O O . HOH Q 12 . ? 15.425 12.844 -28.873 1.00 54.60 ? 871 HOH A O 1 -HETATM 6476 O O . HOH Q 12 . ? -7.058 23.981 -39.157 1.00 24.70 ? 872 HOH A O 1 -HETATM 6477 O O B HOH Q 12 . ? -17.781 28.426 -0.941 0.54 49.47 ? 873 HOH A O 1 -HETATM 6478 O O . HOH Q 12 . ? 11.141 11.962 -30.834 1.00 46.58 ? 874 HOH A O 1 -HETATM 6479 O O . HOH Q 12 . ? -31.399 6.727 -10.907 1.00 37.13 ? 875 HOH A O 1 -HETATM 6480 O O . HOH Q 12 . ? -30.732 -0.502 -15.819 1.00 41.52 ? 876 HOH A O 1 -HETATM 6481 O O . HOH Q 12 . ? -3.534 21.810 2.159 1.00 40.49 ? 877 HOH A O 1 -HETATM 6482 O O . HOH Q 12 . ? -5.223 22.449 -40.989 1.00 33.98 ? 878 HOH A O 1 -HETATM 6483 O O . HOH Q 12 . ? 4.872 8.516 -28.777 1.00 48.26 ? 879 HOH A O 1 -HETATM 6484 O O . HOH Q 12 . ? -22.870 28.752 -2.969 1.00 45.24 ? 880 HOH A O 1 -HETATM 6485 O O . HOH Q 12 . ? -6.573 -0.820 -28.902 1.00 35.96 ? 881 HOH A O 1 -HETATM 6486 O O . HOH Q 12 . ? 23.582 2.792 -20.112 1.00 44.60 ? 882 HOH A O 1 -HETATM 6487 O O . HOH Q 12 . ? -1.666 25.768 0.527 1.00 32.72 ? 883 HOH A O 1 -HETATM 6488 O O . HOH Q 12 . ? -31.082 30.833 -8.497 1.00 42.34 ? 884 HOH A O 1 -HETATM 6489 O O . HOH Q 12 . ? -30.972 8.780 -0.181 1.00 40.67 ? 885 HOH A O 1 -HETATM 6490 O O . HOH Q 12 . ? -34.655 25.537 -24.223 1.00 47.63 ? 886 HOH A O 1 -HETATM 6491 O O . HOH Q 12 . ? -24.579 30.814 -7.997 1.00 35.22 ? 887 HOH A O 1 -HETATM 6492 O O . HOH Q 12 . ? -0.313 2.819 -2.717 1.00 49.36 ? 888 HOH A O 1 -HETATM 6493 O O . HOH Q 12 . ? -36.546 22.245 -20.361 1.00 50.02 ? 889 HOH A O 1 -HETATM 6494 O O . HOH Q 12 . ? -32.600 9.726 -1.926 1.00 51.63 ? 890 HOH A O 1 -HETATM 6495 O O . HOH Q 12 . ? 11.646 12.473 -2.840 1.00 57.13 ? 891 HOH A O 1 -HETATM 6496 O O . HOH Q 12 . ? -21.176 1.393 -2.172 1.00 52.97 ? 892 HOH A O 1 -HETATM 6497 O O . HOH Q 12 . ? -13.414 9.661 3.866 1.00 42.80 ? 893 HOH A O 1 -HETATM 6498 O O . HOH Q 12 . ? 17.617 14.615 -7.543 1.00 54.26 ? 894 HOH A O 1 -HETATM 6499 O O . HOH Q 12 . ? -12.310 9.325 -41.200 1.00 38.70 ? 895 HOH A O 1 -HETATM 6500 O O . HOH Q 12 . ? -20.916 -1.964 -20.156 1.00 45.22 ? 896 HOH A O 1 -HETATM 6501 O O . HOH Q 12 . ? -3.859 26.451 -1.109 1.00 31.48 ? 897 HOH A O 1 -HETATM 6502 O O . HOH Q 12 . ? -20.234 -9.522 -8.763 1.00 55.88 ? 898 HOH A O 1 -HETATM 6503 O O . HOH Q 12 . ? 27.184 4.947 -21.047 1.00 57.56 ? 899 HOH A O 1 -HETATM 6504 O O . HOH Q 12 . ? -24.919 3.378 -0.626 1.00 67.49 ? 900 HOH A O 1 -HETATM 6505 O O . HOH Q 12 . ? -18.554 6.822 1.790 1.00 54.22 ? 901 HOH A O 1 -HETATM 6506 O O . HOH Q 12 . ? 5.632 18.333 -36.858 1.00 32.87 ? 902 HOH A O 1 -HETATM 6507 O O . HOH Q 12 . ? 0.616 26.230 -28.680 1.00 36.78 ? 903 HOH A O 1 -HETATM 6508 O O . HOH Q 12 . ? -24.363 28.417 -1.086 1.00 49.21 ? 904 HOH A O 1 -HETATM 6509 O O . HOH Q 12 . ? -28.739 5.849 -3.053 1.00 53.43 ? 905 HOH A O 1 -HETATM 6510 O O . HOH Q 12 . ? 16.370 18.206 -28.365 1.00 32.48 ? 906 HOH A O 1 -HETATM 6511 O O . HOH Q 12 . ? 3.745 3.978 -27.489 1.00 53.14 ? 907 HOH A O 1 -HETATM 6512 O O . HOH Q 12 . ? 5.597 14.978 -37.098 1.00 44.70 ? 908 HOH A O 1 -HETATM 6513 O O A HOH Q 12 . ? -10.660 18.363 -12.968 0.86 32.08 ? 909 HOH A O 1 -HETATM 6514 O O . HOH Q 12 . ? -4.864 31.064 -1.226 1.00 52.02 ? 910 HOH A O 1 -HETATM 6515 O O . HOH Q 12 . ? -15.942 35.270 -29.896 1.00 52.51 ? 911 HOH A O 1 -HETATM 6516 O O . HOH Q 12 . ? -25.337 8.073 1.700 1.00 55.07 ? 912 HOH A O 1 -HETATM 6517 O O . HOH Q 12 . ? -27.466 -0.463 -26.185 1.00 45.25 ? 913 HOH A O 1 -HETATM 6518 O O . HOH Q 12 . ? -21.658 29.154 -0.629 1.00 78.10 ? 914 HOH A O 1 -HETATM 6519 O O . HOH Q 12 . ? -1.818 27.126 -33.210 1.00 41.78 ? 915 HOH A O 1 -HETATM 6520 O O . HOH Q 12 . ? -12.125 13.194 -42.014 1.00 39.55 ? 916 HOH A O 1 -HETATM 6521 O O . HOH Q 12 . ? -16.856 -3.918 -30.732 1.00 55.34 ? 917 HOH A O 1 -HETATM 6522 O O . HOH Q 12 . ? -11.710 26.012 -44.308 1.00 56.23 ? 918 HOH A O 1 -HETATM 6523 O O . HOH Q 12 . ? -12.523 -3.037 -28.072 1.00 54.13 ? 919 HOH A O 1 -HETATM 6524 O O . HOH Q 12 . ? -4.231 -2.521 -28.883 1.00 56.89 ? 920 HOH A O 1 -HETATM 6525 O O . HOH Q 12 . ? -31.746 4.920 -22.512 1.00 47.80 ? 921 HOH A O 1 -HETATM 6526 O O . HOH Q 12 . ? -30.005 35.872 -20.346 1.00 57.00 ? 922 HOH A O 1 -HETATM 6527 O O . HOH Q 12 . ? -8.355 -3.836 -29.781 1.00 51.58 ? 923 HOH A O 1 -HETATM 6528 O O . HOH Q 12 . ? -0.834 0.489 -6.205 1.00 54.17 ? 924 HOH A O 1 -HETATM 6529 O O . HOH Q 12 . ? -4.398 28.910 -0.263 1.00 43.73 ? 925 HOH A O 1 -HETATM 6530 O O . HOH Q 12 . ? -2.523 29.748 -31.820 1.00 44.40 ? 926 HOH A O 1 -HETATM 6531 O O . HOH Q 12 . ? 12.068 11.646 0.601 1.00 65.71 ? 927 HOH A O 1 -HETATM 6532 O O . HOH Q 12 . ? -11.446 12.037 -44.424 1.00 56.24 ? 928 HOH A O 1 -HETATM 6533 O O . HOH Q 12 . ? 18.981 13.053 -6.917 1.00 54.14 ? 929 HOH A O 1 -HETATM 6534 O O . HOH Q 12 . ? -32.518 8.240 -4.408 1.00 51.72 ? 930 HOH A O 1 -HETATM 6535 O O . HOH Q 12 . ? -30.193 -1.930 -8.743 1.00 61.15 ? 931 HOH A O 1 -HETATM 6536 O O . HOH Q 12 . ? -8.626 25.044 -47.258 1.00 55.02 ? 932 HOH A O 1 -HETATM 6537 O O . HOH Q 12 . ? -5.403 25.976 -42.947 1.00 57.15 ? 933 HOH A O 1 +ATOM 1 N N . MET A 1 1 ? 38.148 15.945 -39.073 0.79 41.59 ? -9 MET A N 1 +ATOM 2 C CA . MET A 1 1 ? 36.885 15.610 -38.335 0.79 76.65 ? -9 MET A CA 1 +ATOM 3 C C . MET A 1 1 ? 37.158 14.603 -37.223 0.79 73.14 ? -9 MET A C 1 +ATOM 4 O O . MET A 1 1 ? 37.995 13.711 -37.337 0.79 78.18 ? -9 MET A O 1 +ATOM 5 C CB . MET A 1 1 ? 35.785 15.067 -39.263 0.79 41.40 ? -9 MET A CB 1 +ATOM 6 C CG . MET A 1 1 ? 34.440 14.758 -38.636 0.79 36.33 ? -9 MET A CG 1 +ATOM 7 S SD . MET A 1 1 ? 33.713 16.096 -37.624 0.79 36.00 ? -9 MET A SD 1 +ATOM 8 C CE . MET A 1 1 ? 33.668 17.430 -38.787 0.79 35.87 ? -9 MET A CE 1 +ATOM 9 H H1 . MET A 1 1 ? 37.959 16.487 -39.754 0.79 49.91 ? -9 MET A H1 1 +ATOM 10 H H2 . MET A 1 1 ? 38.716 16.350 -38.521 0.79 49.91 ? -9 MET A H2 1 +ATOM 11 H H3 . MET A 1 1 ? 38.517 15.197 -39.383 0.79 49.91 ? -9 MET A H3 1 +ATOM 12 H HA . MET A 1 1 ? 36.546 16.437 -37.957 0.79 91.98 ? -9 MET A HA 1 +ATOM 13 H HB2 . MET A 1 1 ? 35.628 15.726 -39.957 0.79 49.68 ? -9 MET A HB2 1 +ATOM 14 H HB3 . MET A 1 1 ? 36.108 14.241 -39.657 0.79 49.68 ? -9 MET A HB3 1 +ATOM 15 H HG2 . MET A 1 1 ? 33.810 14.562 -39.348 0.79 43.60 ? -9 MET A HG2 1 +ATOM 16 H HG3 . MET A 1 1 ? 34.542 13.985 -38.061 0.79 43.60 ? -9 MET A HG3 1 +ATOM 17 H HE1 . MET A 1 1 ? 33.292 18.213 -38.354 0.79 43.05 ? -9 MET A HE1 1 +ATOM 18 H HE2 . MET A 1 1 ? 34.571 17.619 -39.086 0.79 43.05 ? -9 MET A HE2 1 +ATOM 19 H HE3 . MET A 1 1 ? 33.116 17.172 -39.542 0.79 43.05 ? -9 MET A HE3 1 +ATOM 20 N N . TRP A 1 2 ? 36.397 14.756 -36.154 1.00 51.72 ? -8 TRP A N 1 +ATOM 21 C CA . TRP A 1 2 ? 36.576 14.031 -34.911 1.00 37.95 ? -8 TRP A CA 1 +ATOM 22 C C . TRP A 1 2 ? 35.234 13.355 -34.569 1.00 60.47 ? -8 TRP A C 1 +ATOM 23 O O . TRP A 1 2 ? 34.200 13.590 -35.212 1.00 39.40 ? -8 TRP A O 1 +ATOM 24 C CB . TRP A 1 2 ? 36.969 15.024 -33.802 1.00 41.92 ? -8 TRP A CB 1 +ATOM 25 C CG . TRP A 1 2 ? 35.911 16.127 -33.579 1.00 49.10 ? -8 TRP A CG 1 +ATOM 26 C CD1 . TRP A 1 2 ? 34.842 16.078 -32.737 1.00 41.65 ? -8 TRP A CD1 1 +ATOM 27 C CD2 . TRP A 1 2 ? 35.847 17.403 -34.224 1.00 37.75 ? -8 TRP A CD2 1 +ATOM 28 N NE1 . TRP A 1 2 ? 34.110 17.246 -32.808 1.00 42.91 ? -8 TRP A NE1 1 +ATOM 29 C CE2 . TRP A 1 2 ? 34.703 18.069 -33.725 1.00 45.83 ? -8 TRP A CE2 1 +ATOM 30 C CE3 . TRP A 1 2 ? 36.639 18.044 -35.193 1.00 41.88 ? -8 TRP A CE3 1 +ATOM 31 C CZ2 . TRP A 1 2 ? 34.342 19.349 -34.141 1.00 44.65 ? -8 TRP A CZ2 1 +ATOM 32 C CZ3 . TRP A 1 2 ? 36.273 19.312 -35.607 1.00 82.58 ? -8 TRP A CZ3 1 +ATOM 33 C CH2 . TRP A 1 2 ? 35.132 19.948 -35.084 1.00 66.00 ? -8 TRP A CH2 1 +ATOM 34 H H . TRP A 1 2 ? 35.735 15.304 -36.123 1.00 62.07 ? -8 TRP A H 1 +ATOM 35 H HA . TRP A 1 2 ? 37.261 13.348 -34.986 1.00 45.54 ? -8 TRP A HA 1 +ATOM 36 H HB2 . TRP A 1 2 ? 37.077 14.539 -32.969 1.00 50.30 ? -8 TRP A HB2 1 +ATOM 37 H HB3 . TRP A 1 2 ? 37.804 15.454 -34.046 1.00 50.30 ? -8 TRP A HB3 1 +ATOM 38 H HD1 . TRP A 1 2 ? 34.633 15.356 -32.190 1.00 49.98 ? -8 TRP A HD1 1 +ATOM 39 H HE1 . TRP A 1 2 ? 33.403 17.426 -32.353 1.00 51.50 ? -8 TRP A HE1 1 +ATOM 40 H HE3 . TRP A 1 2 ? 37.391 17.625 -35.547 1.00 50.25 ? -8 TRP A HE3 1 +ATOM 41 H HZ2 . TRP A 1 2 ? 33.594 19.778 -33.792 1.00 53.58 ? -8 TRP A HZ2 1 +ATOM 42 H HZ3 . TRP A 1 2 ? 36.789 19.751 -36.244 1.00 99.10 ? -8 TRP A HZ3 1 +ATOM 43 H HH2 . TRP A 1 2 ? 34.909 20.799 -35.386 1.00 79.20 ? -8 TRP A HH2 1 +ATOM 44 N N . SER A 1 3 ? 35.238 12.526 -33.522 1.00 29.85 ? -7 SER A N 1 +ATOM 45 C CA A SER A 1 3 ? 34.091 11.739 -33.112 0.63 28.25 ? -7 SER A CA 1 +ATOM 46 C CA B SER A 1 3 ? 34.095 11.738 -33.109 0.37 28.25 ? -7 SER A CA 1 +ATOM 47 C C . SER A 1 3 ? 33.087 12.601 -32.344 1.00 27.43 ? -7 SER A C 1 +ATOM 48 O O . SER A 1 3 ? 33.363 13.725 -31.927 1.00 36.37 ? -7 SER A O 1 +ATOM 49 C CB A SER A 1 3 ? 34.537 10.559 -32.252 0.63 38.49 ? -7 SER A CB 1 +ATOM 50 C CB B SER A 1 3 ? 34.570 10.572 -32.243 0.37 36.36 ? -7 SER A CB 1 +ATOM 51 O OG A SER A 1 3 ? 33.445 9.699 -31.985 0.63 63.39 ? -7 SER A OG 1 +ATOM 52 O OG B SER A 1 3 ? 35.205 11.043 -31.066 0.37 62.85 ? -7 SER A OG 1 +ATOM 53 H H . SER A 1 3 ? 35.923 12.401 -33.017 1.00 35.82 ? -7 SER A H 1 +ATOM 54 H HA . SER A 1 3 ? 33.648 11.394 -33.902 1.00 33.90 ? -7 SER A HA 1 +ATOM 55 H HB2 A SER A 1 3 ? 35.223 10.064 -32.725 0.63 46.19 ? -7 SER A HB2 1 +ATOM 56 H HB2 B SER A 1 3 ? 33.804 10.031 -31.994 0.37 43.64 ? -7 SER A HB2 1 +ATOM 57 H HB3 A SER A 1 3 ? 34.889 10.894 -31.412 0.63 46.19 ? -7 SER A HB3 1 +ATOM 58 H HB3 B SER A 1 3 ? 35.202 10.039 -32.751 0.37 43.64 ? -7 SER A HB3 1 +ATOM 59 H HG A SER A 1 3 ? 33.692 9.068 -31.488 0.63 76.07 ? -7 SER A HG 1 +ATOM 60 H HG B SER A 1 3 ? 34.661 11.488 -30.605 0.37 75.43 ? -7 SER A HG 1 +ATOM 61 N N . HIS A 1 4 ? 31.903 12.063 -32.172 1.00 26.34 ? -6 HIS A N 1 +ATOM 62 C CA . HIS A 1 4 ? 30.834 12.761 -31.484 1.00 25.69 ? -6 HIS A CA 1 +ATOM 63 C C . HIS A 1 4 ? 30.056 11.791 -30.615 1.00 24.36 ? -6 HIS A C 1 +ATOM 64 O O . HIS A 1 4 ? 28.874 11.508 -30.852 1.00 27.57 ? -6 HIS A O 1 +ATOM 65 C CB . HIS A 1 4 ? 29.885 13.431 -32.497 1.00 31.17 ? -6 HIS A CB 1 +ATOM 66 C CG . HIS A 1 4 ? 28.911 14.393 -31.898 1.00 33.72 ? -6 HIS A CG 1 +ATOM 67 N ND1 . HIS A 1 4 ? 29.313 15.567 -31.292 1.00 32.82 ? -6 HIS A ND1 1 +ATOM 68 C CD2 . HIS A 1 4 ? 27.558 14.413 -31.907 1.00 40.60 ? -6 HIS A CD2 1 +ATOM 69 C CE1 . HIS A 1 4 ? 28.243 16.251 -30.931 1.00 30.94 ? -6 HIS A CE1 1 +ATOM 70 N NE2 . HIS A 1 4 ? 27.162 15.556 -31.248 1.00 30.54 ? -6 HIS A NE2 1 +ATOM 71 H H . HIS A 1 4 ? 31.685 11.278 -32.450 1.00 31.61 ? -6 HIS A H 1 +ATOM 72 H HA . HIS A 1 4 ? 31.233 13.434 -30.910 1.00 30.83 ? -6 HIS A HA 1 +ATOM 73 H HB2 . HIS A 1 4 ? 30.418 13.919 -33.143 1.00 37.40 ? -6 HIS A HB2 1 +ATOM 74 H HB3 . HIS A 1 4 ? 29.374 12.738 -32.945 1.00 37.40 ? -6 HIS A HB3 1 +ATOM 75 H HD1 . HIS A 1 4 ? 30.128 15.812 -31.169 1.00 39.38 ? -6 HIS A HD1 1 +ATOM 76 H HD2 . HIS A 1 4 ? 27.000 13.774 -32.287 1.00 48.72 ? -6 HIS A HD2 1 +ATOM 77 H HE1 . HIS A 1 4 ? 28.248 17.085 -30.521 1.00 37.12 ? -6 HIS A HE1 1 +ATOM 78 N N . PRO A 1 5 ? 30.646 11.321 -29.516 1.00 25.28 ? -5 PRO A N 1 +ATOM 79 C CA . PRO A 1 5 ? 29.930 10.356 -28.687 1.00 24.96 ? -5 PRO A CA 1 +ATOM 80 C C . PRO A 1 5 ? 28.873 10.989 -27.816 1.00 24.39 ? -5 PRO A C 1 +ATOM 81 O O . PRO A 1 5 ? 28.908 12.182 -27.520 1.00 30.77 ? -5 PRO A O 1 +ATOM 82 C CB . PRO A 1 5 ? 31.044 9.786 -27.805 1.00 26.01 ? -5 PRO A CB 1 +ATOM 83 C CG . PRO A 1 5 ? 32.069 10.791 -27.814 1.00 27.78 ? -5 PRO A CG 1 +ATOM 84 C CD . PRO A 1 5 ? 31.989 11.621 -29.065 1.00 27.01 ? -5 PRO A CD 1 +ATOM 85 H HA . PRO A 1 5 ? 29.526 9.673 -29.245 1.00 29.95 ? -5 PRO A HA 1 +ATOM 86 H HB2 . PRO A 1 5 ? 30.711 9.636 -26.907 1.00 31.22 ? -5 PRO A HB2 1 +ATOM 87 H HB3 . PRO A 1 5 ? 31.370 8.953 -28.181 1.00 31.22 ? -5 PRO A HB3 1 +ATOM 88 H HG2 . PRO A 1 5 ? 31.947 11.360 -27.038 1.00 33.34 ? -5 PRO A HG2 1 +ATOM 89 H HG3 . PRO A 1 5 ? 32.931 10.350 -27.771 1.00 33.34 ? -5 PRO A HG3 1 +ATOM 90 H HD2 . PRO A 1 5 ? 32.094 12.565 -28.870 1.00 32.41 ? -5 PRO A HD2 1 +ATOM 91 H HD3 . PRO A 1 5 ? 32.651 11.341 -29.717 1.00 32.41 ? -5 PRO A HD3 1 +ATOM 92 N N . GLN A 1 6 ? 27.874 10.185 -27.464 1.00 23.78 ? -4 GLN A N 1 +ATOM 93 C CA . GLN A 1 6 ? 26.799 10.587 -26.595 1.00 23.02 ? -4 GLN A CA 1 +ATOM 94 C C . GLN A 1 6 ? 27.211 10.457 -25.129 1.00 24.25 ? -4 GLN A C 1 +ATOM 95 O O . GLN A 1 6 ? 28.094 9.691 -24.801 1.00 27.41 ? -4 GLN A O 1 +ATOM 96 C CB . GLN A 1 6 ? 25.610 9.660 -26.823 1.00 24.39 ? -4 GLN A CB 1 +ATOM 97 C CG . GLN A 1 6 ? 24.956 9.818 -28.220 1.00 37.55 ? -4 GLN A CG 1 +ATOM 98 H H . GLN A 1 6 ? 27.802 9.371 -27.731 1.00 28.54 ? -4 GLN A H 1 +ATOM 99 H HA . GLN A 1 6 ? 26.562 11.509 -26.779 1.00 27.62 ? -4 GLN A HA 1 +ATOM 100 H HB2 . GLN A 1 6 ? 25.908 8.742 -26.738 1.00 29.27 ? -4 GLN A HB2 1 +ATOM 101 H HB3 . GLN A 1 6 ? 24.932 9.852 -26.155 1.00 29.27 ? -4 GLN A HB3 1 +ATOM 102 N N . PHE A 1 7 ? 26.523 11.190 -24.294 1.00 24.25 ? -3 PHE A N 1 +ATOM 103 C CA . PHE A 1 7 ? 26.769 11.152 -22.851 1.00 23.83 ? -3 PHE A CA 1 +ATOM 104 C C . PHE A 1 7 ? 26.070 9.960 -22.223 1.00 26.94 ? -3 PHE A C 1 +ATOM 105 O O . PHE A 1 7 ? 25.039 9.480 -22.696 1.00 28.29 ? -3 PHE A O 1 +ATOM 106 C CB . PHE A 1 7 ? 26.202 12.430 -22.239 1.00 22.45 ? -3 PHE A CB 1 +ATOM 107 C CG . PHE A 1 7 ? 26.994 13.655 -22.589 1.00 22.39 ? -3 PHE A CG 1 +ATOM 108 C CD1 . PHE A 1 7 ? 28.253 13.859 -22.148 1.00 22.48 ? -3 PHE A CD1 1 +ATOM 109 C CD2 . PHE A 1 7 ? 26.445 14.634 -23.393 1.00 48.10 ? -3 PHE A CD2 1 +ATOM 110 C CE1 . PHE A 1 7 ? 28.984 14.967 -22.405 1.00 23.69 ? -3 PHE A CE1 1 +ATOM 111 C CE2 . PHE A 1 7 ? 27.189 15.774 -23.716 1.00 40.66 ? -3 PHE A CE2 1 +ATOM 112 C CZ . PHE A 1 7 ? 28.451 15.934 -23.212 1.00 36.70 ? -3 PHE A CZ 1 +ATOM 113 H H . PHE A 1 7 ? 25.896 11.730 -24.527 1.00 29.11 ? -3 PHE A H 1 +ATOM 114 H HA . PHE A 1 7 ? 27.719 11.078 -22.668 1.00 28.60 ? -3 PHE A HA 1 +ATOM 115 H HB2 . PHE A 1 7 ? 25.297 12.558 -22.562 1.00 26.95 ? -3 PHE A HB2 1 +ATOM 116 H HB3 . PHE A 1 7 ? 26.200 12.342 -21.273 1.00 26.95 ? -3 PHE A HB3 1 +ATOM 117 H HD1 . PHE A 1 7 ? 28.644 13.192 -21.631 1.00 26.97 ? -3 PHE A HD1 1 +ATOM 118 H HD2 . PHE A 1 7 ? 25.580 14.536 -23.720 1.00 57.71 ? -3 PHE A HD2 1 +ATOM 119 H HE1 . PHE A 1 7 ? 29.834 15.069 -22.041 1.00 28.43 ? -3 PHE A HE1 1 +ATOM 120 H HE2 . PHE A 1 7 ? 26.825 16.423 -24.275 1.00 48.79 ? -3 PHE A HE2 1 +ATOM 121 H HZ . PHE A 1 7 ? 28.942 16.696 -23.416 1.00 44.04 ? -3 PHE A HZ 1 +ATOM 122 N N . GLU A 1 8 ? 26.632 9.501 -21.115 1.00 25.59 ? -2 GLU A N 1 +ATOM 123 C CA . GLU A 1 8 ? 26.009 8.428 -20.348 1.00 29.53 ? -2 GLU A CA 1 +ATOM 124 C C . GLU A 1 8 ? 24.610 8.778 -19.864 1.00 26.25 ? -2 GLU A C 1 +ATOM 125 O O . GLU A 1 8 ? 24.321 9.884 -19.391 1.00 25.07 ? -2 GLU A O 1 +ATOM 126 C CB . GLU A 1 8 ? 26.922 8.090 -19.165 1.00 29.58 ? -2 GLU A CB 1 +ATOM 127 C CG . GLU A 1 8 ? 26.626 6.753 -18.496 1.00 69.91 ? -2 GLU A CG 1 +ATOM 128 C CD . GLU A 1 8 ? 25.582 6.852 -17.405 1.00 107.80 ? -2 GLU A CD 1 +ATOM 129 O OE1 . GLU A 1 8 ? 25.557 7.881 -16.687 1.00 49.86 ? -2 GLU A OE1 1 +ATOM 130 O OE2 . GLU A 1 8 ? 24.789 5.892 -17.262 1.00 36.84 ? -2 GLU A OE2 1 +ATOM 131 H H . GLU A 1 8 ? 27.371 9.791 -20.785 1.00 30.70 ? -2 GLU A H 1 +ATOM 132 H HA . GLU A 1 8 ? 25.899 7.650 -20.917 1.00 35.44 ? -2 GLU A HA 1 +ATOM 133 H HB2 . GLU A 1 8 ? 27.839 8.062 -19.480 1.00 35.50 ? -2 GLU A HB2 1 +ATOM 134 H HB3 . GLU A 1 8 ? 26.824 8.781 -18.491 1.00 35.50 ? -2 GLU A HB3 1 +ATOM 135 H HG2 . GLU A 1 8 ? 26.299 6.132 -19.166 1.00 83.90 ? -2 GLU A HG2 1 +ATOM 136 H HG3 . GLU A 1 8 ? 27.442 6.412 -18.098 1.00 83.90 ? -2 GLU A HG3 1 +ATOM 137 N N . LYS A 1 9 ? 23.739 7.751 -19.850 1.00 28.53 ? -1 LYS A N 1 +ATOM 138 C CA . LYS A 1 9 ? 22.313 7.942 -19.606 1.00 28.31 ? -1 LYS A CA 1 +ATOM 139 C C . LYS A 1 9 ? 21.967 8.358 -18.174 1.00 23.68 ? -1 LYS A C 1 +ATOM 140 O O . LYS A 1 9 ? 21.176 9.268 -17.966 1.00 25.84 ? -1 LYS A O 1 +ATOM 141 C CB . LYS A 1 9 ? 21.569 6.649 -19.990 1.00 29.13 ? -1 LYS A CB 1 +ATOM 142 C CG . LYS A 1 9 ? 21.697 6.312 -21.459 1.00 40.70 ? -1 LYS A CG 1 +ATOM 143 H H . LYS A 1 9 ? 23.958 6.929 -19.982 1.00 34.23 ? -1 LYS A H 1 +ATOM 144 H HA . LYS A 1 9 ? 22.018 8.679 -20.163 1.00 33.97 ? -1 LYS A HA 1 +ATOM 145 H HB2 . LYS A 1 9 ? 21.936 5.910 -19.480 1.00 34.96 ? -1 LYS A HB2 1 +ATOM 146 H HB3 . LYS A 1 9 ? 20.626 6.755 -19.788 1.00 34.96 ? -1 LYS A HB3 1 +ATOM 147 N N . ALA A 1 10 ? 22.541 7.700 -17.158 1.00 27.77 ? 0 ALA A N 1 +ATOM 148 C CA . ALA A 1 10 ? 22.168 8.046 -15.794 1.00 32.88 ? 0 ALA A CA 1 +ATOM 149 C C . ALA A 1 10 ? 22.572 9.480 -15.477 1.00 25.14 ? 0 ALA A C 1 +ATOM 150 O O . ALA A 1 10 ? 21.811 10.220 -14.860 1.00 26.67 ? 0 ALA A O 1 +ATOM 151 C CB . ALA A 1 10 ? 22.841 7.093 -14.797 1.00 40.14 ? 0 ALA A CB 1 +ATOM 152 H H . ALA A 1 10 ? 23.125 7.074 -17.235 1.00 33.33 ? 0 ALA A H 1 +ATOM 153 H HA . ALA A 1 10 ? 21.206 7.955 -15.702 1.00 39.45 ? 0 ALA A HA 1 +ATOM 154 H HB1 . ALA A 1 10 ? 22.582 7.344 -13.897 1.00 48.16 ? 0 ALA A HB1 1 +ATOM 155 H HB2 . ALA A 1 10 ? 22.552 6.186 -14.984 1.00 48.16 ? 0 ALA A HB2 1 +ATOM 156 H HB3 . ALA A 1 10 ? 23.803 7.161 -14.896 1.00 48.16 ? 0 ALA A HB3 1 +ATOM 157 N N . SER A 1 11 ? 23.757 9.886 -15.915 1.00 29.79 ? 1 SER A N 1 +ATOM 158 C CA . SER A 1 11 ? 24.198 11.235 -15.579 1.00 27.03 ? 1 SER A CA 1 +ATOM 159 C C . SER A 1 11 ? 23.384 12.274 -16.340 1.00 23.91 ? 1 SER A C 1 +ATOM 160 O O . SER A 1 11 ? 22.950 13.267 -15.741 1.00 24.82 ? 1 SER A O 1 +ATOM 161 C CB . SER A 1 11 ? 25.659 11.439 -15.899 1.00 32.94 ? 1 SER A CB 1 +ATOM 162 O OG . SER A 1 11 ? 25.972 12.758 -15.498 1.00 30.22 ? 1 SER A OG 1 +ATOM 163 H H . SER A 1 11 ? 24.304 9.420 -16.388 1.00 35.75 ? 1 SER A H 1 +ATOM 164 H HA . SER A 1 11 ? 24.080 11.349 -14.623 1.00 32.44 ? 1 SER A HA 1 +ATOM 165 H HB2 . SER A 1 11 ? 26.201 10.803 -15.407 1.00 39.53 ? 1 SER A HB2 1 +ATOM 166 H HB3 . SER A 1 11 ? 25.810 11.336 -16.852 1.00 39.53 ? 1 SER A HB3 1 +ATOM 167 H HG . SER A 1 11 ? 26.741 12.964 -15.764 1.00 36.27 ? 1 SER A HG 1 +ATOM 168 N N . THR A 1 12 ? 23.071 11.994 -17.619 1.00 24.48 ? 2 THR A N 1 +ATOM 169 C CA . THR A 1 12 ? 22.142 12.835 -18.388 1.00 22.44 ? 2 THR A CA 1 +ATOM 170 C C . THR A 1 12 ? 20.800 12.944 -17.679 1.00 24.37 ? 2 THR A C 1 +ATOM 171 O O . THR A 1 12 ? 20.262 14.040 -17.484 1.00 24.10 ? 2 THR A O 1 +ATOM 172 C CB . THR A 1 12 ? 21.902 12.264 -19.776 1.00 23.42 ? 2 THR A CB 1 +ATOM 173 O OG1 . THR A 1 12 ? 23.105 12.360 -20.515 1.00 28.21 ? 2 THR A OG1 1 +ATOM 174 C CG2 . THR A 1 12 ? 20.819 13.054 -20.490 1.00 27.46 ? 2 THR A CG2 1 +ATOM 175 H H . THR A 1 12 ? 23.383 11.326 -18.061 1.00 29.38 ? 2 THR A H 1 +ATOM 176 H HA . THR A 1 12 ? 22.550 13.711 -18.477 1.00 26.92 ? 2 THR A HA 1 +ATOM 177 H HB . THR A 1 12 ? 21.617 11.339 -19.713 1.00 28.10 ? 2 THR A HB 1 +ATOM 178 H HG1 . THR A 1 12 ? 23.715 11.930 -20.129 1.00 33.86 ? 2 THR A HG1 1 +ATOM 179 H HG21 . THR A 1 12 ? 20.895 12.930 -21.449 1.00 32.95 ? 2 THR A HG21 1 +ATOM 180 H HG22 . THR A 1 12 ? 19.943 12.752 -20.202 1.00 32.95 ? 2 THR A HG22 1 +ATOM 181 H HG23 . THR A 1 12 ? 20.908 13.999 -20.286 1.00 32.95 ? 2 THR A HG23 1 +ATOM 182 N N . GLY A 1 13 ? 20.284 11.818 -17.210 1.00 22.35 ? 3 GLY A N 1 +ATOM 183 C CA . GLY A 1 13 ? 19.055 11.861 -16.420 1.00 23.55 ? 3 GLY A CA 1 +ATOM 184 C C . GLY A 1 13 ? 19.172 12.688 -15.150 1.00 22.85 ? 3 GLY A C 1 +ATOM 185 O O . GLY A 1 13 ? 18.268 13.450 -14.787 1.00 24.72 ? 3 GLY A O 1 +ATOM 186 H H . GLY A 1 13 ? 20.614 11.033 -17.328 1.00 26.82 ? 3 GLY A H 1 +ATOM 187 H HA2 . GLY A 1 13 ? 18.346 12.241 -16.962 1.00 28.26 ? 3 GLY A HA2 1 +ATOM 188 H HA3 . GLY A 1 13 ? 18.810 10.957 -16.168 1.00 28.26 ? 3 GLY A HA3 1 +ATOM 189 N N . ARG A 1 14 ? 20.300 12.569 -14.456 1.00 23.83 ? 4 ARG A N 1 +ATOM 190 C CA . ARG A 1 14 ? 20.472 13.360 -13.245 1.00 27.88 ? 4 ARG A CA 1 +ATOM 191 C C . ARG A 1 14 ? 20.564 14.849 -13.602 1.00 26.39 ? 4 ARG A C 1 +ATOM 192 O O . ARG A 1 14 ? 20.095 15.710 -12.859 1.00 32.82 ? 4 ARG A O 1 +ATOM 193 C CB . ARG A 1 14 ? 21.740 12.914 -12.471 1.00 33.78 ? 4 ARG A CB 1 +ATOM 194 C CG . ARG A 1 14 ? 21.559 11.537 -11.752 1.00 32.28 ? 4 ARG A CG 1 +ATOM 195 C CD . ARG A 1 14 ? 22.699 11.213 -10.769 1.00 30.62 ? 4 ARG A CD 1 +ATOM 196 N NE . ARG A 1 14 ? 23.986 11.187 -11.435 1.00 33.27 ? 4 ARG A NE 1 +ATOM 197 C CZ . ARG A 1 14 ? 24.548 10.094 -11.971 1.00 57.78 ? 4 ARG A CZ 1 +ATOM 198 N NH1 . ARG A 1 14 ? 23.950 8.905 -11.915 1.00 37.08 ? 4 ARG A NH1 1 +ATOM 199 N NH2 . ARG A 1 14 ? 25.728 10.187 -12.550 1.00 36.56 ? 4 ARG A NH2 1 +ATOM 200 H H . ARG A 1 14 ? 20.959 12.055 -14.658 1.00 28.60 ? 4 ARG A H 1 +ATOM 201 H HA . ARG A 1 14 ? 19.711 13.215 -12.660 1.00 33.46 ? 4 ARG A HA 1 +ATOM 202 H HB2 . ARG A 1 14 ? 22.478 12.832 -13.095 1.00 40.54 ? 4 ARG A HB2 1 +ATOM 203 H HB3 . ARG A 1 14 ? 21.948 13.579 -11.796 1.00 40.54 ? 4 ARG A HB3 1 +ATOM 204 H HG2 . ARG A 1 14 ? 20.728 11.549 -11.251 1.00 38.74 ? 4 ARG A HG2 1 +ATOM 205 H HG3 . ARG A 1 14 ? 21.532 10.834 -12.420 1.00 38.74 ? 4 ARG A HG3 1 +ATOM 206 H HD2 . ARG A 1 14 ? 22.728 11.892 -10.076 1.00 36.75 ? 4 ARG A HD2 1 +ATOM 207 H HD3 . ARG A 1 14 ? 22.543 10.341 -10.373 1.00 36.75 ? 4 ARG A HD3 1 +ATOM 208 H HE . ARG A 1 14 ? 24.422 11.926 -11.490 1.00 39.93 ? 4 ARG A HE 1 +ATOM 209 H HH11 . ARG A 1 14 ? 23.186 8.825 -11.528 1.00 44.50 ? 4 ARG A HH11 1 +ATOM 210 H HH12 . ARG A 1 14 ? 24.328 8.216 -12.265 1.00 44.50 ? 4 ARG A HH12 1 +ATOM 211 H HH21 . ARG A 1 14 ? 26.132 10.946 -12.582 1.00 43.87 ? 4 ARG A HH21 1 +ATOM 212 H HH22 . ARG A 1 14 ? 26.094 9.490 -12.896 1.00 43.87 ? 4 ARG A HH22 1 +ATOM 213 N N . GLU A 1 15 ? 21.198 15.156 -14.706 1.00 25.65 ? 5 GLU A N 1 +ATOM 214 C CA . GLU A 1 15 ? 21.264 16.554 -15.150 1.00 30.27 ? 5 GLU A CA 1 +ATOM 215 C C . GLU A 1 15 ? 19.891 17.084 -15.572 1.00 24.14 ? 5 GLU A C 1 +ATOM 216 O O . GLU A 1 15 ? 19.563 18.239 -15.295 1.00 27.91 ? 5 GLU A O 1 +ATOM 217 C CB . GLU A 1 15 ? 22.283 16.719 -16.265 1.00 26.51 ? 5 GLU A CB 1 +ATOM 218 C CG . GLU A 1 15 ? 23.760 16.717 -15.647 1.00 36.46 ? 5 GLU A CG 1 +ATOM 219 C CD . GLU A 1 15 ? 24.891 17.064 -16.619 1.00 84.59 ? 5 GLU A CD 1 +ATOM 220 O OE1 . GLU A 1 15 ? 24.669 16.827 -17.823 1.00 62.11 ? 5 GLU A OE1 1 +ATOM 221 O OE2 . GLU A 1 15 ? 26.002 17.557 -16.187 1.00 31.23 ? 5 GLU A OE2 1 +ATOM 222 H H . GLU A 1 15 ? 21.597 14.594 -15.220 1.00 30.78 ? 5 GLU A H 1 +ATOM 223 H HA . GLU A 1 15 ? 21.566 17.093 -14.402 1.00 36.32 ? 5 GLU A HA 1 +ATOM 224 H HB2 . GLU A 1 15 ? 22.205 15.983 -16.892 1.00 31.82 ? 5 GLU A HB2 1 +ATOM 225 H HB3 . GLU A 1 15 ? 22.136 17.562 -16.722 1.00 31.82 ? 5 GLU A HB3 1 +ATOM 226 H HG2 . GLU A 1 15 ? 23.790 17.368 -14.928 1.00 43.75 ? 5 GLU A HG2 1 +ATOM 227 H HG3 . GLU A 1 15 ? 23.943 15.830 -15.299 1.00 43.75 ? 5 GLU A HG3 1 +ATOM 228 N N . ILE A 1 16 ? 19.081 16.258 -16.220 1.00 23.23 ? 6 ILE A N 1 +ATOM 229 C CA . ILE A 1 16 ? 17.701 16.660 -16.524 1.00 22.20 ? 6 ILE A CA 1 +ATOM 230 C C . ILE A 1 16 ? 16.905 16.926 -15.244 1.00 23.61 ? 6 ILE A C 1 +ATOM 231 O O . ILE A 1 16 ? 16.211 17.945 -15.124 1.00 25.49 ? 6 ILE A O 1 +ATOM 232 C CB . ILE A 1 16 ? 17.031 15.613 -17.421 1.00 22.84 ? 6 ILE A CB 1 +ATOM 233 C CG1 . ILE A 1 16 ? 17.660 15.544 -18.815 1.00 24.96 ? 6 ILE A CG1 1 +ATOM 234 C CG2 . ILE A 1 16 ? 15.517 15.874 -17.557 1.00 22.82 ? 6 ILE A CG2 1 +ATOM 235 C CD1 . ILE A 1 16 ? 17.553 16.818 -19.644 1.00 27.36 ? 6 ILE A CD1 1 +ATOM 236 H H . ILE A 1 16 ? 19.295 15.472 -16.493 1.00 27.88 ? 6 ILE A H 1 +ATOM 237 H HA . ILE A 1 16 ? 17.727 17.498 -17.012 1.00 26.64 ? 6 ILE A HA 1 +ATOM 238 H HB . ILE A 1 16 ? 17.175 14.761 -16.981 1.00 27.41 ? 6 ILE A HB 1 +ATOM 239 H HG12 . ILE A 1 16 ? 18.604 15.343 -18.715 1.00 29.95 ? 6 ILE A HG12 1 +ATOM 240 H HG13 . ILE A 1 16 ? 17.221 14.837 -19.314 1.00 29.95 ? 6 ILE A HG13 1 +ATOM 241 H HG21 . ILE A 1 16 ? 15.174 15.360 -18.306 1.00 27.39 ? 6 ILE A HG21 1 +ATOM 242 H HG22 . ILE A 1 16 ? 15.074 15.601 -16.739 1.00 27.39 ? 6 ILE A HG22 1 +ATOM 243 H HG23 . ILE A 1 16 ? 15.372 16.821 -17.712 1.00 27.39 ? 6 ILE A HG23 1 +ATOM 244 H HD11 . ILE A 1 16 ? 17.903 16.647 -20.532 1.00 32.83 ? 6 ILE A HD11 1 +ATOM 245 H HD12 . ILE A 1 16 ? 16.621 17.081 -19.701 1.00 32.83 ? 6 ILE A HD12 1 +ATOM 246 H HD13 . ILE A 1 16 ? 18.069 17.518 -19.215 1.00 32.83 ? 6 ILE A HD13 1 +ATOM 247 N N . LEU A 1 17 ? 17.007 16.033 -14.251 1.00 23.41 ? 7 LEU A N 1 +ATOM 248 C CA . LEU A 1 17 ? 16.324 16.247 -12.971 1.00 24.52 ? 7 LEU A CA 1 +ATOM 249 C C . LEU A 1 17 ? 16.760 17.543 -12.311 1.00 24.47 ? 7 LEU A C 1 +ATOM 250 O O . LEU A 1 17 ? 15.918 18.276 -11.782 1.00 28.20 ? 7 LEU A O 1 +ATOM 251 C CB . LEU A 1 17 ? 16.555 15.062 -12.021 1.00 25.43 ? 7 LEU A CB 1 +ATOM 252 C CG . LEU A 1 17 ? 15.876 13.781 -12.480 1.00 23.71 ? 7 LEU A CG 1 +ATOM 253 C CD1 . LEU A 1 17 ? 16.474 12.537 -11.806 1.00 27.62 ? 7 LEU A CD1 1 +ATOM 254 C CD2 . LEU A 1 17 ? 14.367 13.813 -12.227 1.00 28.12 ? 7 LEU A CD2 1 +ATOM 255 H H . LEU A 1 17 ? 17.460 15.303 -14.293 1.00 28.09 ? 7 LEU A H 1 +ATOM 256 H HA . LEU A 1 17 ? 15.372 16.304 -13.149 1.00 29.42 ? 7 LEU A HA 1 +ATOM 257 H HB2 . LEU A 1 17 ? 17.508 14.890 -11.962 1.00 30.51 ? 7 LEU A HB2 1 +ATOM 258 H HB3 . LEU A 1 17 ? 16.204 15.289 -11.146 1.00 30.51 ? 7 LEU A HB3 1 +ATOM 259 H HG . LEU A 1 17 ? 16.029 13.715 -13.435 1.00 28.45 ? 7 LEU A HG 1 +ATOM 260 H HD11 . LEU A 1 17 ? 16.022 11.747 -12.142 1.00 33.14 ? 7 LEU A HD11 1 +ATOM 261 H HD12 . LEU A 1 17 ? 17.421 12.490 -12.014 1.00 33.14 ? 7 LEU A HD12 1 +ATOM 262 H HD13 . LEU A 1 17 ? 16.350 12.607 -10.847 1.00 33.14 ? 7 LEU A HD13 1 +ATOM 263 H HD21 . LEU A 1 17 ? 13.982 12.967 -12.503 1.00 33.75 ? 7 LEU A HD21 1 +ATOM 264 H HD22 . LEU A 1 17 ? 14.208 13.955 -11.280 1.00 33.75 ? 7 LEU A HD22 1 +ATOM 265 H HD23 . LEU A 1 17 ? 13.976 14.538 -12.739 1.00 33.75 ? 7 LEU A HD23 1 +ATOM 266 N N . GLU A 1 18 ? 18.064 17.866 -12.362 1.00 25.93 ? 8 GLU A N 1 +ATOM 267 C CA . GLU A 1 18 ? 18.543 19.097 -11.763 1.00 30.48 ? 8 GLU A CA 1 +ATOM 268 C C . GLU A 1 18 ? 17.961 20.312 -12.474 1.00 26.17 ? 8 GLU A C 1 +ATOM 269 O O . GLU A 1 18 ? 17.606 21.303 -11.829 1.00 30.91 ? 8 GLU A O 1 +ATOM 270 C CB . GLU A 1 18 ? 20.073 19.122 -11.798 1.00 31.80 ? 8 GLU A CB 1 +ATOM 271 C CG . GLU A 1 18 ? 20.671 20.503 -11.577 1.00 45.12 ? 8 GLU A CG 1 +ATOM 272 C CD . GLU A 1 18 ? 22.035 20.454 -10.928 1.00 84.93 ? 8 GLU A CD 1 +ATOM 273 O OE1 . GLU A 1 18 ? 22.991 19.980 -11.578 1.00 73.57 ? 8 GLU A OE1 1 +ATOM 274 O OE2 . GLU A 1 18 ? 22.143 20.881 -9.760 1.00 100.44 ? 8 GLU A OE2 1 +ATOM 275 H H . GLU A 1 18 ? 18.675 17.389 -12.734 1.00 31.12 ? 8 GLU A H 1 +ATOM 276 H HA . GLU A 1 18 ? 18.264 19.137 -10.836 1.00 36.57 ? 8 GLU A HA 1 +ATOM 277 H HB2 . GLU A 1 18 ? 20.410 18.538 -11.100 1.00 38.16 ? 8 GLU A HB2 1 +ATOM 278 H HB3 . GLU A 1 18 ? 20.370 18.806 -12.666 1.00 38.16 ? 8 GLU A HB3 1 +ATOM 279 H HG2 . GLU A 1 18 ? 20.762 20.949 -12.434 1.00 54.15 ? 8 GLU A HG2 1 +ATOM 280 H HG3 . GLU A 1 18 ? 20.082 21.013 -10.998 1.00 54.15 ? 8 GLU A HG3 1 +ATOM 281 N N . LYS A 1 19 ? 17.866 20.252 -13.806 1.00 28.95 ? 9 LYS A N 1 +ATOM 282 C CA . LYS A 1 19 ? 17.277 21.358 -14.557 1.00 27.62 ? 9 LYS A CA 1 +ATOM 283 C C . LYS A 1 19 ? 15.790 21.510 -14.235 1.00 23.18 ? 9 LYS A C 1 +ATOM 284 O O . LYS A 1 19 ? 15.299 22.615 -14.069 1.00 26.16 ? 9 LYS A O 1 +ATOM 285 C CB . LYS A 1 19 ? 17.534 21.173 -16.056 1.00 26.87 ? 9 LYS A CB 1 +ATOM 286 C CG . LYS A 1 19 ? 19.016 21.383 -16.439 1.00 30.45 ? 9 LYS A CG 1 +ATOM 287 C CD . LYS A 1 19 ? 19.242 21.460 -17.915 1.00 34.83 ? 9 LYS A CD 1 +ATOM 288 C CE . LYS A 1 19 ? 20.715 21.780 -18.239 1.00 46.24 ? 9 LYS A CE 1 +ATOM 289 H H . LYS A 1 19 ? 18.131 19.592 -14.289 1.00 34.74 ? 9 LYS A H 1 +ATOM 290 H HA . LYS A 1 19 ? 17.707 22.189 -14.303 1.00 33.14 ? 9 LYS A HA 1 +ATOM 291 H HB2 . LYS A 1 19 ? 17.282 20.271 -16.310 1.00 32.24 ? 9 LYS A HB2 1 +ATOM 292 H HB3 . LYS A 1 19 ? 17.002 21.817 -16.549 1.00 32.24 ? 9 LYS A HB3 1 +ATOM 293 H HG2 . LYS A 1 19 ? 19.328 22.214 -16.047 1.00 36.53 ? 9 LYS A HG2 1 +ATOM 294 H HG3 . LYS A 1 19 ? 19.537 20.639 -16.098 1.00 36.53 ? 9 LYS A HG3 1 +ATOM 295 H HD2 . LYS A 1 19 ? 19.018 20.608 -18.320 1.00 41.79 ? 9 LYS A HD2 1 +ATOM 296 H HD3 . LYS A 1 19 ? 18.687 22.162 -18.289 1.00 41.79 ? 9 LYS A HD3 1 +ATOM 297 N N . LEU A 1 20 ? 15.082 20.398 -14.040 1.00 22.90 ? 10 LEU A N 1 +ATOM 298 C CA . LEU A 1 20 ? 13.655 20.477 -13.678 1.00 23.21 ? 10 LEU A CA 1 +ATOM 299 C C . LEU A 1 20 ? 13.502 21.062 -12.281 1.00 23.54 ? 10 LEU A C 1 +ATOM 300 O O . LEU A 1 20 ? 12.613 21.888 -12.046 1.00 28.30 ? 10 LEU A O 1 +ATOM 301 C CB . LEU A 1 20 ? 13.004 19.094 -13.776 1.00 21.14 ? 10 LEU A CB 1 +ATOM 302 C CG . LEU A 1 20 ? 12.880 18.566 -15.200 1.00 21.97 ? 10 LEU A CG 1 +ATOM 303 C CD1 . LEU A 1 20 ? 12.384 17.125 -15.134 1.00 21.62 ? 10 LEU A CD1 1 +ATOM 304 C CD2 . LEU A 1 20 ? 11.980 19.399 -16.042 1.00 25.63 ? 10 LEU A CD2 1 +ATOM 305 H H . LEU A 1 20 ? 15.391 19.598 -14.108 1.00 27.48 ? 10 LEU A H 1 +ATOM 306 H HA . LEU A 1 20 ? 13.191 21.053 -14.306 1.00 27.85 ? 10 LEU A HA 1 +ATOM 307 H HB2 . LEU A 1 20 ? 13.540 18.462 -13.271 1.00 25.37 ? 10 LEU A HB2 1 +ATOM 308 H HB3 . LEU A 1 20 ? 12.110 19.145 -13.400 1.00 25.37 ? 10 LEU A HB3 1 +ATOM 309 H HG . LEU A 1 20 ? 13.748 18.601 -15.632 1.00 26.37 ? 10 LEU A HG 1 +ATOM 310 H HD11 . LEU A 1 20 ? 12.316 16.773 -16.035 1.00 25.94 ? 10 LEU A HD11 1 +ATOM 311 H HD12 . LEU A 1 20 ? 13.015 16.598 -14.619 1.00 25.94 ? 10 LEU A HD12 1 +ATOM 312 H HD13 . LEU A 1 20 ? 11.514 17.110 -14.706 1.00 25.94 ? 10 LEU A HD13 1 +ATOM 313 H HD21 . LEU A 1 20 ? 11.780 18.919 -16.861 1.00 30.75 ? 10 LEU A HD21 1 +ATOM 314 H HD22 . LEU A 1 20 ? 11.161 19.573 -15.552 1.00 30.75 ? 10 LEU A HD22 1 +ATOM 315 H HD23 . LEU A 1 20 ? 12.425 20.235 -16.249 1.00 30.75 ? 10 LEU A HD23 1 +ATOM 316 N N . GLU A 1 21 ? 14.406 20.681 -11.353 1.00 26.73 ? 11 GLU A N 1 +ATOM 317 C CA . GLU A 1 21 ? 14.338 21.168 -9.979 1.00 31.03 ? 11 GLU A CA 1 +ATOM 318 C C . GLU A 1 21 ? 14.664 22.651 -9.907 1.00 33.81 ? 11 GLU A C 1 +ATOM 319 O O . GLU A 1 21 ? 14.092 23.367 -9.081 1.00 35.52 ? 11 GLU A O 1 +ATOM 320 C CB . GLU A 1 21 ? 15.285 20.356 -9.099 1.00 38.79 ? 11 GLU A CB 1 +ATOM 321 C CG . GLU A 1 21 ? 14.800 20.202 -7.664 1.00 47.09 ? 11 GLU A CG 1 +ATOM 322 C CD . GLU A 1 21 ? 15.923 19.896 -6.695 1.00 113.55 ? 11 GLU A CD 1 +ATOM 323 O OE1 . GLU A 1 21 ? 16.000 20.565 -5.637 1.00 76.71 ? 11 GLU A OE1 1 +ATOM 324 O OE2 . GLU A 1 21 ? 16.733 18.992 -6.999 1.00 123.52 ? 11 GLU A OE2 1 +ATOM 325 H H . GLU A 1 21 ? 15.061 20.144 -11.502 1.00 32.08 ? 11 GLU A H 1 +ATOM 326 H HA . GLU A 1 21 ? 13.439 21.046 -9.635 1.00 37.24 ? 11 GLU A HA 1 +ATOM 327 H HB2 . GLU A 1 21 ? 15.379 19.468 -9.478 1.00 46.55 ? 11 GLU A HB2 1 +ATOM 328 H HB3 . GLU A 1 21 ? 16.147 20.799 -9.075 1.00 46.55 ? 11 GLU A HB3 1 +ATOM 329 H HG2 . GLU A 1 21 ? 14.378 21.029 -7.382 1.00 56.51 ? 11 GLU A HG2 1 +ATOM 330 H HG3 . GLU A 1 21 ? 14.161 19.473 -7.622 1.00 56.51 ? 11 GLU A HG3 1 +ATOM 331 N N . ARG A 1 22 ? 15.541 23.129 -10.782 1.00 33.16 ? 12 ARG A N 1 +ATOM 332 C CA . ARG A 1 22 ? 15.856 24.545 -10.942 1.00 36.15 ? 12 ARG A CA 1 +ATOM 333 C C . ARG A 1 22 ? 14.873 25.262 -11.858 1.00 31.75 ? 12 ARG A C 1 +ATOM 334 O O . ARG A 1 22 ? 15.021 26.470 -12.106 1.00 35.07 ? 12 ARG A O 1 +ATOM 335 C CB . ARG A 1 22 ? 17.290 24.717 -11.479 1.00 34.00 ? 12 ARG A CB 1 +ATOM 336 C CG . ARG A 1 22 ? 18.347 24.519 -10.402 1.00 65.65 ? 12 ARG A CG 1 +ATOM 337 C CD . ARG A 1 22 ? 19.745 24.786 -10.939 1.00 52.58 ? 12 ARG A CD 1 +ATOM 338 N NE . ARG A 1 22 ? 19.949 24.136 -12.225 1.00 47.82 ? 12 ARG A NE 1 +ATOM 339 C CZ . ARG A 1 22 ? 21.088 24.152 -12.904 1.00 90.47 ? 12 ARG A CZ 1 +ATOM 340 N NH1 . ARG A 1 22 ? 22.139 24.800 -12.422 1.00 100.68 ? 12 ARG A NH1 1 +ATOM 341 N NH2 . ARG A 1 22 ? 21.178 23.520 -14.067 1.00 62.28 ? 12 ARG A NH2 1 +ATOM 342 H H . ARG A 1 22 ? 15.990 22.630 -11.320 1.00 39.80 ? 12 ARG A H 1 +ATOM 343 H HA . ARG A 1 22 ? 15.820 24.971 -10.072 1.00 43.38 ? 12 ARG A HA 1 +ATOM 344 H HB2 . ARG A 1 22 ? 17.447 24.063 -12.178 1.00 40.80 ? 12 ARG A HB2 1 +ATOM 345 H HB3 . ARG A 1 22 ? 17.389 25.614 -11.836 1.00 40.80 ? 12 ARG A HB3 1 +ATOM 346 H HG2 . ARG A 1 22 ? 18.179 25.132 -9.670 1.00 78.78 ? 12 ARG A HG2 1 +ATOM 347 H HG3 . ARG A 1 22 ? 18.313 23.603 -10.083 1.00 78.78 ? 12 ARG A HG3 1 +ATOM 348 H HD2 . ARG A 1 22 ? 19.868 25.741 -11.056 1.00 63.09 ? 12 ARG A HD2 1 +ATOM 349 H HD3 . ARG A 1 22 ? 20.402 24.441 -10.314 1.00 63.09 ? 12 ARG A HD3 1 +ATOM 350 H HE . ARG A 1 22 ? 19.285 23.711 -12.568 1.00 57.38 ? 12 ARG A HE 1 +ATOM 351 H HH11 . ARG A 1 22 ? 22.082 25.210 -11.668 1.00 120.82 ? 12 ARG A HH11 1 +ATOM 352 H HH12 . ARG A 1 22 ? 22.877 24.811 -12.863 1.00 120.82 ? 12 ARG A HH12 1 +ATOM 353 H HH21 . ARG A 1 22 ? 20.497 23.099 -14.381 1.00 74.73 ? 12 ARG A HH21 1 +ATOM 354 H HH22 . ARG A 1 22 ? 21.917 23.531 -14.507 1.00 74.73 ? 12 ARG A HH22 1 +ATOM 355 N N . ARG A 1 23 ? 13.876 24.557 -12.364 1.00 28.77 ? 13 ARG A N 1 +ATOM 356 C CA . ARG A 1 23 ? 12.812 25.158 -13.155 1.00 30.18 ? 13 ARG A CA 1 +ATOM 357 C C . ARG A 1 23 ? 13.321 25.773 -14.454 1.00 28.29 ? 13 ARG A C 1 +ATOM 358 O O . ARG A 1 23 ? 12.854 26.824 -14.893 1.00 34.96 ? 13 ARG A O 1 +ATOM 359 C CB . ARG A 1 23 ? 11.983 26.110 -12.295 1.00 29.75 ? 13 ARG A CB 1 +ATOM 360 C CG . ARG A 1 23 ? 11.456 25.385 -11.033 1.00 31.48 ? 13 ARG A CG 1 +ATOM 361 C CD . ARG A 1 23 ? 10.403 26.141 -10.278 1.00 36.00 ? 13 ARG A CD 1 +ATOM 362 N NE . ARG A 1 23 ? 9.186 26.295 -11.055 1.00 31.74 ? 13 ARG A NE 1 +ATOM 363 C CZ . ARG A 1 23 ? 8.266 25.348 -11.216 1.00 28.16 ? 13 ARG A CZ 1 +ATOM 364 N NH1 . ARG A 1 23 ? 8.419 24.148 -10.689 1.00 23.79 ? 13 ARG A NH1 1 +ATOM 365 N NH2 . ARG A 1 23 ? 7.189 25.656 -11.936 1.00 25.67 ? 13 ARG A NH2 1 +ATOM 366 H H . ARG A 1 23 ? 13.788 23.708 -12.261 1.00 34.52 ? 13 ARG A H 1 +ATOM 367 H HA . ARG A 1 23 ? 12.209 24.461 -13.457 1.00 36.22 ? 13 ARG A HA 1 +ATOM 368 H HB2 . ARG A 1 23 ? 12.535 26.857 -12.015 1.00 35.71 ? 13 ARG A HB2 1 +ATOM 369 H HB3 . ARG A 1 23 ? 11.225 26.431 -12.807 1.00 35.71 ? 13 ARG A HB3 1 +ATOM 370 H HG2 . ARG A 1 23 ? 11.071 24.536 -11.301 1.00 37.78 ? 13 ARG A HG2 1 +ATOM 371 H HG3 . ARG A 1 23 ? 12.199 25.235 -10.428 1.00 37.78 ? 13 ARG A HG3 1 +ATOM 372 H HD2 . ARG A 1 23 ? 10.185 25.660 -9.464 1.00 43.20 ? 13 ARG A HD2 1 +ATOM 373 H HD3 . ARG A 1 23 ? 10.738 27.025 -10.061 1.00 43.20 ? 13 ARG A HD3 1 +ATOM 374 H HE . ARG A 1 23 ? 9.050 27.052 -11.438 1.00 38.08 ? 13 ARG A HE 1 +ATOM 375 H HH11 . ARG A 1 23 ? 9.124 23.966 -10.232 1.00 28.54 ? 13 ARG A HH11 1 +ATOM 376 H HH12 . ARG A 1 23 ? 7.814 23.548 -10.804 1.00 28.54 ? 13 ARG A HH12 1 +ATOM 377 H HH21 . ARG A 1 23 ? 7.109 26.442 -12.276 1.00 30.80 ? 13 ARG A HH21 1 +ATOM 378 H HH22 . ARG A 1 23 ? 6.573 25.068 -12.061 1.00 30.80 ? 13 ARG A HH22 1 +ATOM 379 N N . GLU A 1 24 ? 14.301 25.103 -15.074 1.00 29.75 ? 14 GLU A N 1 +ATOM 380 C CA . GLU A 1 24 ? 14.852 25.506 -16.372 1.00 30.25 ? 14 GLU A CA 1 +ATOM 381 C C . GLU A 1 24 ? 14.151 24.672 -17.438 1.00 37.12 ? 14 GLU A C 1 +ATOM 382 O O . GLU A 1 24 ? 14.655 23.640 -17.883 1.00 36.14 ? 14 GLU A O 1 +ATOM 383 C CB . GLU A 1 24 ? 16.361 25.288 -16.372 1.00 37.31 ? 14 GLU A CB 1 +ATOM 384 C CG . GLU A 1 24 ? 17.069 26.077 -15.286 1.00 55.06 ? 14 GLU A CG 1 +ATOM 385 C CD . GLU A 1 24 ? 18.576 25.898 -15.313 1.00 75.50 ? 14 GLU A CD 1 +ATOM 386 O OE1 . GLU A 1 24 ? 19.220 26.140 -14.270 1.00 59.69 ? 14 GLU A OE1 1 +ATOM 387 O OE2 . GLU A 1 24 ? 19.110 25.520 -16.378 1.00 62.03 ? 14 GLU A OE2 1 +ATOM 388 H H . GLU A 1 24 ? 14.671 24.395 -14.754 1.00 35.70 ? 14 GLU A H 1 +ATOM 389 H HA . GLU A 1 24 ? 14.668 26.442 -16.550 1.00 36.30 ? 14 GLU A HA 1 +ATOM 390 H HB2 . GLU A 1 24 ? 16.543 24.347 -16.227 1.00 44.77 ? 14 GLU A HB2 1 +ATOM 391 H HB3 . GLU A 1 24 ? 16.720 25.567 -17.228 1.00 44.77 ? 14 GLU A HB3 1 +ATOM 392 H HG2 . GLU A 1 24 ? 16.878 27.020 -15.405 1.00 66.07 ? 14 GLU A HG2 1 +ATOM 393 H HG3 . GLU A 1 24 ? 16.748 25.780 -14.420 1.00 66.07 ? 14 GLU A HG3 1 +ATOM 394 N N . PHE A 1 25 ? 12.984 25.149 -17.871 1.00 29.91 ? 15 PHE A N 1 +ATOM 395 C CA . PHE A 1 25 ? 12.045 24.338 -18.643 1.00 31.37 ? 15 PHE A CA 1 +ATOM 396 C C . PHE A 1 25 ? 12.225 24.540 -20.148 1.00 43.89 ? 15 PHE A C 1 +ATOM 397 O O . PHE A 1 25 ? 11.305 24.878 -20.885 1.00 37.04 ? 15 PHE A O 1 +ATOM 398 C CB . PHE A 1 25 ? 10.620 24.682 -18.230 1.00 32.95 ? 15 PHE A CB 1 +ATOM 399 C CG . PHE A 1 25 ? 10.313 24.398 -16.801 1.00 27.88 ? 15 PHE A CG 1 +ATOM 400 C CD1 . PHE A 1 25 ? 10.635 23.183 -16.237 1.00 25.35 ? 15 PHE A CD1 1 +ATOM 401 C CD2 . PHE A 1 25 ? 9.696 25.361 -16.030 1.00 26.83 ? 15 PHE A CD2 1 +ATOM 402 C CE1 . PHE A 1 25 ? 10.312 22.924 -14.904 1.00 24.53 ? 15 PHE A CE1 1 +ATOM 403 C CE2 . PHE A 1 25 ? 9.368 25.099 -14.719 1.00 28.82 ? 15 PHE A CE2 1 +ATOM 404 C CZ . PHE A 1 25 ? 9.674 23.895 -14.166 1.00 26.67 ? 15 PHE A CZ 1 +ATOM 405 H H . PHE A 1 25 ? 12.709 25.951 -17.727 1.00 35.89 ? 15 PHE A H 1 +ATOM 406 H HA . PHE A 1 25 ? 12.226 23.405 -18.449 1.00 37.64 ? 15 PHE A HA 1 +ATOM 407 H HB2 . PHE A 1 25 ? 10.474 25.629 -18.380 1.00 39.54 ? 15 PHE A HB2 1 +ATOM 408 H HB3 . PHE A 1 25 ? 10.006 24.162 -18.772 1.00 39.54 ? 15 PHE A HB3 1 +ATOM 409 H HD1 . PHE A 1 25 ? 11.068 22.535 -16.745 1.00 30.42 ? 15 PHE A HD1 1 +ATOM 410 H HD2 . PHE A 1 25 ? 9.501 26.192 -16.399 1.00 32.19 ? 15 PHE A HD2 1 +ATOM 411 H HE1 . PHE A 1 25 ? 10.526 22.105 -14.518 1.00 29.43 ? 15 PHE A HE1 1 +ATOM 412 H HE2 . PHE A 1 25 ? 8.937 25.747 -14.210 1.00 34.59 ? 15 PHE A HE2 1 +ATOM 413 H HZ . PHE A 1 25 ? 9.449 23.725 -13.280 1.00 32.00 ? 15 PHE A HZ 1 +ATOM 414 N N . THR A 1 26 ? 13.431 24.294 -20.616 1.00 30.38 ? 16 THR A N 1 +ATOM 415 C CA . THR A 1 26 ? 13.648 24.448 -22.042 1.00 32.36 ? 16 THR A CA 1 +ATOM 416 C C . THR A 1 26 ? 13.020 23.277 -22.796 1.00 33.72 ? 16 THR A C 1 +ATOM 417 O O . THR A 1 26 ? 12.801 22.190 -22.266 1.00 28.55 ? 16 THR A O 1 +ATOM 418 C CB . THR A 1 26 ? 15.145 24.465 -22.341 1.00 34.49 ? 16 THR A CB 1 +ATOM 419 O OG1 . THR A 1 26 ? 15.694 23.186 -22.035 1.00 31.37 ? 16 THR A OG1 1 +ATOM 420 C CG2 . THR A 1 26 ? 15.864 25.552 -21.510 1.00 32.53 ? 16 THR A CG2 1 +ATOM 421 H H . THR A 1 26 ? 14.111 24.047 -20.152 1.00 36.46 ? 16 THR A H 1 +ATOM 422 H HA . THR A 1 26 ? 13.249 25.279 -22.343 1.00 38.83 ? 16 THR A HA 1 +ATOM 423 H HB . THR A 1 26 ? 15.288 24.668 -23.279 1.00 41.39 ? 16 THR A HB 1 +ATOM 424 H HG1 . THR A 1 26 ? 16.518 23.181 -22.198 1.00 37.64 ? 16 THR A HG1 1 +ATOM 425 H HG21 . THR A 1 26 ? 16.796 25.608 -21.772 1.00 39.03 ? 16 THR A HG21 1 +ATOM 426 H HG22 . THR A 1 26 ? 15.443 26.414 -21.657 1.00 39.03 ? 16 THR A HG22 1 +ATOM 427 H HG23 . THR A 1 26 ? 15.815 25.335 -20.566 1.00 39.03 ? 16 THR A HG23 1 +ATOM 428 N N . ARG A 1 27 ? 12.747 23.508 -24.068 1.00 31.58 ? 17 ARG A N 1 +ATOM 429 C CA A ARG A 1 27 ? 12.212 22.459 -24.922 0.49 27.64 ? 17 ARG A CA 1 +ATOM 430 C CA B ARG A 1 27 ? 12.204 22.452 -24.909 0.51 29.49 ? 17 ARG A CA 1 +ATOM 431 C C . ARG A 1 27 ? 13.095 21.215 -24.903 1.00 27.78 ? 17 ARG A C 1 +ATOM 432 O O . ARG A 1 27 ? 12.594 20.092 -24.812 1.00 26.63 ? 17 ARG A O 1 +ATOM 433 C CB A ARG A 1 27 ? 12.067 23.001 -26.337 0.49 33.87 ? 17 ARG A CB 1 +ATOM 434 C CB B ARG A 1 27 ? 12.019 22.980 -26.320 0.51 28.14 ? 17 ARG A CB 1 +ATOM 435 C CG A ARG A 1 27 ? 11.523 22.013 -27.301 0.49 35.32 ? 17 ARG A CG 1 +ATOM 436 C CG B ARG A 1 27 ? 11.441 22.012 -27.306 0.51 33.90 ? 17 ARG A CG 1 +ATOM 437 C CD A ARG A 1 27 ? 11.298 22.615 -28.673 0.49 30.48 ? 17 ARG A CD 1 +ATOM 438 C CD B ARG A 1 27 ? 11.310 22.699 -28.660 0.51 29.86 ? 17 ARG A CD 1 +ATOM 439 N NE A ARG A 1 27 ? 10.367 21.753 -29.392 0.49 40.81 ? 17 ARG A NE 1 +ATOM 440 N NE B ARG A 1 27 ? 10.668 24.012 -28.511 0.51 40.51 ? 17 ARG A NE 1 +ATOM 441 C CZ A ARG A 1 27 ? 9.056 21.753 -29.202 0.49 27.42 ? 17 ARG A CZ 1 +ATOM 442 C CZ B ARG A 1 27 ? 9.359 24.232 -28.536 0.51 37.42 ? 17 ARG A CZ 1 +ATOM 443 N NH1 A ARG A 1 27 ? 8.491 22.589 -28.344 0.49 50.28 ? 17 ARG A NH1 1 +ATOM 444 N NH1 B ARG A 1 27 ? 8.510 23.234 -28.701 0.51 28.71 ? 17 ARG A NH1 1 +ATOM 445 N NH2 A ARG A 1 27 ? 8.291 20.919 -29.895 0.49 50.98 ? 17 ARG A NH2 1 +ATOM 446 N NH2 B ARG A 1 27 ? 8.888 25.461 -28.386 0.51 51.63 ? 17 ARG A NH2 1 +ATOM 447 H H A ARG A 1 27 ? 12.862 24.263 -24.464 0.49 37.90 ? 17 ARG A H 1 +ATOM 448 H H B ARG A 1 27 ? 12.865 24.260 -24.468 0.51 37.90 ? 17 ARG A H 1 +ATOM 449 H HA A ARG A 1 27 ? 11.336 22.193 -24.600 0.49 33.17 ? 17 ARG A HA 1 +ATOM 450 H HA B ARG A 1 27 ? 11.337 22.183 -24.566 0.51 35.38 ? 17 ARG A HA 1 +ATOM 451 H HB2 A ARG A 1 27 ? 11.465 23.761 -26.319 0.49 40.64 ? 17 ARG A HB2 1 +ATOM 452 H HB2 B ARG A 1 27 ? 11.422 23.744 -26.283 0.51 33.76 ? 17 ARG A HB2 1 +ATOM 453 H HB3 A ARG A 1 27 ? 12.941 23.277 -26.656 0.49 40.64 ? 17 ARG A HB3 1 +ATOM 454 H HB3 B ARG A 1 27 ? 12.886 23.253 -26.659 0.51 33.76 ? 17 ARG A HB3 1 +ATOM 455 H HG2 A ARG A 1 27 ? 12.151 21.279 -27.393 0.49 42.39 ? 17 ARG A HG2 1 +ATOM 456 H HG2 B ARG A 1 27 ? 12.027 21.245 -27.398 0.51 40.69 ? 17 ARG A HG2 1 +ATOM 457 H HG3 A ARG A 1 27 ? 10.673 21.682 -26.973 0.49 42.39 ? 17 ARG A HG3 1 +ATOM 458 H HG3 B ARG A 1 27 ? 10.562 21.726 -27.012 0.51 40.69 ? 17 ARG A HG3 1 +ATOM 459 H HD2 A ARG A 1 27 ? 10.914 23.502 -28.591 0.49 36.58 ? 17 ARG A HD2 1 +ATOM 460 H HD2 B ARG A 1 27 ? 12.191 22.828 -29.045 0.51 35.83 ? 17 ARG A HD2 1 +ATOM 461 H HD3 A ARG A 1 27 ? 12.135 22.659 -29.161 0.49 36.58 ? 17 ARG A HD3 1 +ATOM 462 H HD3 B ARG A 1 27 ? 10.767 22.154 -29.250 0.51 35.83 ? 17 ARG A HD3 1 +ATOM 463 H HE A ARG A 1 27 ? 10.689 21.212 -29.977 0.49 48.98 ? 17 ARG A HE 1 +ATOM 464 H HE B ARG A 1 27 ? 11.181 24.693 -28.398 0.51 48.61 ? 17 ARG A HE 1 +ATOM 465 H HH11 A ARG A 1 27 ? 8.977 23.144 -27.901 0.49 60.33 ? 17 ARG A HH11 1 +ATOM 466 H HH11 B ARG A 1 27 ? 8.803 22.431 -28.793 0.51 34.45 ? 17 ARG A HH11 1 +ATOM 467 H HH12 A ARG A 1 27 ? 7.639 22.578 -28.231 0.49 60.33 ? 17 ARG A HH12 1 +ATOM 468 H HH12 B ARG A 1 27 ? 7.664 23.387 -28.716 0.51 34.45 ? 17 ARG A HH12 1 +ATOM 469 H HH21 A ARG A 1 27 ? 8.646 20.382 -30.465 0.49 61.18 ? 17 ARG A HH21 1 +ATOM 470 H HH21 B ARG A 1 27 ? 9.430 26.119 -28.272 0.51 61.96 ? 17 ARG A HH21 1 +ATOM 471 H HH22 A ARG A 1 27 ? 7.439 20.916 -29.774 0.49 61.18 ? 17 ARG A HH22 1 +ATOM 472 H HH22 B ARG A 1 27 ? 8.039 25.601 -28.403 0.51 61.96 ? 17 ARG A HH22 1 +ATOM 473 N N . GLU A 1 28 ? 14.423 21.394 -24.970 1.00 25.58 ? 18 GLU A N 1 +ATOM 474 C CA . GLU A 1 28 ? 15.316 20.246 -24.962 1.00 23.71 ? 18 GLU A CA 1 +ATOM 475 C C . GLU A 1 28 ? 15.210 19.458 -23.658 1.00 24.71 ? 18 GLU A C 1 +ATOM 476 O O . GLU A 1 28 ? 15.336 18.228 -23.664 1.00 23.24 ? 18 GLU A O 1 +ATOM 477 C CB . GLU A 1 28 ? 16.765 20.740 -25.202 1.00 31.32 ? 18 GLU A CB 1 +ATOM 478 C CG . GLU A 1 28 ? 17.836 20.084 -24.469 1.00 43.13 ? 18 GLU A CG 1 +ATOM 479 C CD . GLU A 1 28 ? 19.199 20.645 -24.833 1.00 91.85 ? 18 GLU A CD 1 +ATOM 480 O OE1 . GLU A 1 28 ? 19.575 20.560 -26.019 1.00 50.29 ? 18 GLU A OE1 1 +ATOM 481 O OE2 . GLU A 1 28 ? 19.878 21.202 -23.944 1.00 38.35 ? 18 GLU A OE2 1 +ATOM 482 H H . GLU A 1 28 ? 14.817 22.156 -25.020 1.00 30.69 ? 18 GLU A H 1 +ATOM 483 H HA . GLU A 1 28 ? 15.072 19.638 -25.677 1.00 28.45 ? 18 GLU A HA 1 +ATOM 484 H HB2 . GLU A 1 28 ? 16.963 20.628 -26.145 1.00 37.58 ? 18 GLU A HB2 1 +ATOM 485 H HB3 . GLU A 1 28 ? 16.800 21.680 -24.965 1.00 37.58 ? 18 GLU A HB3 1 +ATOM 486 H HG2 . GLU A 1 28 ? 17.698 20.215 -23.518 1.00 51.75 ? 18 GLU A HG2 1 +ATOM 487 H HG3 . GLU A 1 28 ? 17.832 19.137 -24.678 1.00 51.75 ? 18 GLU A HG3 1 +ATOM 488 N N . VAL A 1 29 ? 15.029 20.147 -22.542 1.00 23.29 ? 19 VAL A N 1 +ATOM 489 C CA . VAL A 1 29 ? 14.929 19.465 -21.259 1.00 20.86 ? 19 VAL A CA 1 +ATOM 490 C C . VAL A 1 29 ? 13.630 18.670 -21.210 1.00 21.02 ? 19 VAL A C 1 +ATOM 491 O O . VAL A 1 29 ? 13.625 17.520 -20.758 1.00 20.80 ? 19 VAL A O 1 +ATOM 492 C CB . VAL A 1 29 ? 14.993 20.484 -20.108 1.00 25.38 ? 19 VAL A CB 1 +ATOM 493 C CG1 . VAL A 1 29 ? 14.536 19.872 -18.786 1.00 27.16 ? 19 VAL A CG1 1 +ATOM 494 C CG2 . VAL A 1 29 ? 16.420 21.008 -19.937 1.00 29.05 ? 19 VAL A CG2 1 +ATOM 495 H H . VAL A 1 29 ? 14.962 21.003 -22.498 1.00 27.95 ? 19 VAL A H 1 +ATOM 496 H HA . VAL A 1 29 ? 15.678 18.856 -21.164 1.00 25.03 ? 19 VAL A HA 1 +ATOM 497 H HB . VAL A 1 29 ? 14.397 21.215 -20.335 1.00 30.46 ? 19 VAL A HB 1 +ATOM 498 H HG11 . VAL A 1 29 ? 14.836 20.436 -18.057 1.00 32.59 ? 19 VAL A HG11 1 +ATOM 499 H HG12 . VAL A 1 29 ? 13.567 19.815 -18.783 1.00 32.59 ? 19 VAL A HG12 1 +ATOM 500 H HG13 . VAL A 1 29 ? 14.920 18.985 -18.699 1.00 32.59 ? 19 VAL A HG13 1 +ATOM 501 H HG21 . VAL A 1 29 ? 16.417 21.724 -19.283 1.00 34.86 ? 19 VAL A HG21 1 +ATOM 502 H HG22 . VAL A 1 29 ? 16.988 20.283 -19.631 1.00 34.86 ? 19 VAL A HG22 1 +ATOM 503 H HG23 . VAL A 1 29 ? 16.739 21.340 -20.790 1.00 34.86 ? 19 VAL A HG23 1 +ATOM 504 N N . LEU A 1 30 ? 12.518 19.275 -21.626 1.00 20.54 ? 20 LEU A N 1 +ATOM 505 C CA . LEU A 1 30 ? 11.230 18.564 -21.591 1.00 18.48 ? 20 LEU A CA 1 +ATOM 506 C C . LEU A 1 30 ? 11.252 17.389 -22.535 1.00 20.92 ? 20 LEU A C 1 +ATOM 507 O O . LEU A 1 30 ? 10.788 16.299 -22.191 1.00 20.51 ? 20 LEU A O 1 +ATOM 508 C CB . LEU A 1 30 ? 10.074 19.497 -21.916 1.00 21.21 ? 20 LEU A CB 1 +ATOM 509 C CG . LEU A 1 30 ? 9.919 20.644 -20.896 1.00 22.17 ? 20 LEU A CG 1 +ATOM 510 C CD1 . LEU A 1 30 ? 8.867 21.616 -21.385 1.00 25.03 ? 20 LEU A CD1 1 +ATOM 511 C CD2 . LEU A 1 30 ? 9.601 20.170 -19.521 1.00 21.75 ? 20 LEU A CD2 1 +ATOM 512 H H . LEU A 1 30 ? 12.476 20.079 -21.927 1.00 24.65 ? 20 LEU A H 1 +ATOM 513 H HA . LEU A 1 30 ? 11.081 18.239 -20.689 1.00 22.17 ? 20 LEU A HA 1 +ATOM 514 H HB2 . LEU A 1 30 ? 10.224 19.891 -22.789 1.00 25.45 ? 20 LEU A HB2 1 +ATOM 515 H HB3 . LEU A 1 30 ? 9.249 18.986 -21.920 1.00 25.45 ? 20 LEU A HB3 1 +ATOM 516 H HG . LEU A 1 30 ? 10.774 21.096 -20.826 1.00 26.61 ? 20 LEU A HG 1 +ATOM 517 H HD11 . LEU A 1 30 ? 8.789 22.343 -20.748 1.00 30.04 ? 20 LEU A HD11 1 +ATOM 518 H HD12 . LEU A 1 30 ? 9.135 21.962 -22.251 1.00 30.04 ? 20 LEU A HD12 1 +ATOM 519 H HD13 . LEU A 1 30 ? 8.019 21.152 -21.462 1.00 30.04 ? 20 LEU A HD13 1 +ATOM 520 H HD21 . LEU A 1 30 ? 9.372 20.934 -18.969 1.00 26.10 ? 20 LEU A HD21 1 +ATOM 521 H HD22 . LEU A 1 30 ? 8.851 19.557 -19.564 1.00 26.10 ? 20 LEU A HD22 1 +ATOM 522 H HD23 . LEU A 1 30 ? 10.377 19.718 -19.156 1.00 26.10 ? 20 LEU A HD23 1 +ATOM 523 N N . LYS A 1 31 ? 11.822 17.568 -23.741 1.00 20.08 ? 21 LYS A N 1 +ATOM 524 C CA . LYS A 1 31 ? 11.891 16.469 -24.697 1.00 22.75 ? 21 LYS A CA 1 +ATOM 525 C C . LYS A 1 31 ? 12.703 15.321 -24.114 1.00 20.73 ? 21 LYS A C 1 +ATOM 526 O O . LYS A 1 31 ? 12.330 14.153 -24.259 1.00 21.91 ? 21 LYS A O 1 +ATOM 527 C CB . LYS A 1 31 ? 12.492 16.945 -26.007 1.00 24.50 ? 21 LYS A CB 1 +ATOM 528 C CG . LYS A 1 31 ? 12.534 15.815 -27.054 1.00 24.43 ? 21 LYS A CG 1 +ATOM 529 C CD . LYS A 1 31 ? 12.945 16.317 -28.405 1.00 29.93 ? 21 LYS A CD 1 +ATOM 530 C CE . LYS A 1 31 ? 12.823 15.211 -29.456 1.00 39.81 ? 21 LYS A CE 1 +ATOM 531 N NZ . LYS A 1 31 ? 13.085 15.723 -30.824 1.00 67.35 ? 21 LYS A NZ 1 +ATOM 532 H H . LYS A 1 31 ? 12.167 18.305 -24.018 1.00 24.09 ? 21 LYS A H 1 +ATOM 533 H HA . LYS A 1 31 ? 10.995 16.151 -24.890 1.00 27.30 ? 21 LYS A HA 1 +ATOM 534 H HB2 . LYS A 1 31 ? 11.954 17.671 -26.361 1.00 29.41 ? 21 LYS A HB2 1 +ATOM 535 H HB3 . LYS A 1 31 ? 13.400 17.251 -25.850 1.00 29.41 ? 21 LYS A HB3 1 +ATOM 536 H HG2 . LYS A 1 31 ? 13.175 15.143 -26.773 1.00 29.31 ? 21 LYS A HG2 1 +ATOM 537 H HG3 . LYS A 1 31 ? 11.652 15.420 -27.133 1.00 29.31 ? 21 LYS A HG3 1 +ATOM 538 H HD2 . LYS A 1 31 ? 12.369 17.053 -28.665 1.00 35.92 ? 21 LYS A HD2 1 +ATOM 539 H HD3 . LYS A 1 31 ? 13.868 16.612 -28.374 1.00 35.92 ? 21 LYS A HD3 1 +ATOM 540 H HE2 . LYS A 1 31 ? 13.470 14.513 -29.264 1.00 47.77 ? 21 LYS A HE2 1 +ATOM 541 H HE3 . LYS A 1 31 ? 11.925 14.845 -29.435 1.00 47.77 ? 21 LYS A HE3 1 +ATOM 542 H HZ1 . LYS A 1 31 ? 13.907 16.061 -30.870 1.00 80.82 ? 21 LYS A HZ1 1 +ATOM 543 H HZ2 . LYS A 1 31 ? 13.011 15.062 -31.416 1.00 80.82 ? 21 LYS A HZ2 1 +ATOM 544 H HZ3 . LYS A 1 31 ? 12.498 16.360 -31.028 1.00 80.82 ? 21 LYS A HZ3 1 +ATOM 545 N N . GLU A 1 32 ? 13.846 15.627 -23.534 1.00 22.47 ? 22 GLU A N 1 +ATOM 546 C CA . GLU A 1 32 ? 14.656 14.555 -22.993 1.00 21.67 ? 22 GLU A CA 1 +ATOM 547 C C . GLU A 1 32 ? 13.976 13.863 -21.827 1.00 23.52 ? 22 GLU A C 1 +ATOM 548 O O . GLU A 1 32 ? 14.020 12.625 -21.727 1.00 22.53 ? 22 GLU A O 1 +ATOM 549 C CB . GLU A 1 32 ? 16.036 15.092 -22.632 1.00 25.44 ? 22 GLU A CB 1 +ATOM 550 C CG . GLU A 1 32 ? 17.048 14.007 -22.224 1.00 41.87 ? 22 GLU A CG 1 +ATOM 551 C CD . GLU A 1 32 ? 17.422 13.041 -23.350 1.00 55.28 ? 22 GLU A CD 1 +ATOM 552 O OE1 . GLU A 1 32 ? 17.113 13.313 -24.532 1.00 43.92 ? 22 GLU A OE1 1 +ATOM 553 O OE2 . GLU A 1 32 ? 18.030 11.993 -23.047 1.00 55.49 ? 22 GLU A OE2 1 +ATOM 554 H H . GLU A 1 32 ? 14.166 16.420 -23.442 1.00 26.96 ? 22 GLU A H 1 +ATOM 555 H HA . GLU A 1 32 ? 14.782 13.872 -23.671 1.00 26.00 ? 22 GLU A HA 1 +ATOM 556 H HB2 . GLU A 1 32 ? 16.399 15.558 -23.401 1.00 30.53 ? 22 GLU A HB2 1 +ATOM 557 H HB3 . GLU A 1 32 ? 15.945 15.704 -21.885 1.00 30.53 ? 22 GLU A HB3 1 +ATOM 558 H HG2 . GLU A 1 32 ? 17.864 14.439 -21.926 1.00 50.25 ? 22 GLU A HG2 1 +ATOM 559 H HG3 . GLU A 1 32 ? 16.668 13.483 -21.502 1.00 50.25 ? 22 GLU A HG3 1 +ATOM 560 N N . ALA A 1 33 ? 13.316 14.619 -20.952 1.00 21.62 ? 23 ALA A N 1 +ATOM 561 C CA . ALA A 1 33 ? 12.579 13.960 -19.868 1.00 20.66 ? 23 ALA A CA 1 +ATOM 562 C C . ALA A 1 33 ? 11.541 13.001 -20.415 1.00 20.32 ? 23 ALA A C 1 +ATOM 563 O O . ALA A 1 33 ? 11.352 11.900 -19.872 1.00 20.89 ? 23 ALA A O 1 +ATOM 564 C CB . ALA A 1 33 ? 11.913 15.015 -18.992 1.00 20.29 ? 23 ALA A CB 1 +ATOM 565 H H . ALA A 1 33 ? 13.279 15.478 -20.959 1.00 25.94 ? 23 ALA A H 1 +ATOM 566 H HA . ALA A 1 33 ? 13.201 13.452 -19.324 1.00 24.80 ? 23 ALA A HA 1 +ATOM 567 H HB1 . ALA A 1 33 ? 11.439 14.573 -18.271 1.00 24.34 ? 23 ALA A HB1 1 +ATOM 568 H HB2 . ALA A 1 33 ? 12.596 15.601 -18.629 1.00 24.34 ? 23 ALA A HB2 1 +ATOM 569 H HB3 . ALA A 1 33 ? 11.291 15.528 -19.532 1.00 24.34 ? 23 ALA A HB3 1 +ATOM 570 N N . LEU A 1 34 ? 10.823 13.385 -21.472 1.00 19.65 ? 24 LEU A N 1 +ATOM 571 C CA . LEU A 1 34 ? 9.819 12.504 -22.027 1.00 19.87 ? 24 LEU A CA 1 +ATOM 572 C C . LEU A 1 34 ? 10.444 11.334 -22.764 1.00 23.35 ? 24 LEU A C 1 +ATOM 573 O O . LEU A 1 34 ? 9.808 10.279 -22.850 1.00 30.44 ? 24 LEU A O 1 +ATOM 574 C CB . LEU A 1 34 ? 8.904 13.267 -22.973 1.00 20.15 ? 24 LEU A CB 1 +ATOM 575 C CG . LEU A 1 34 ? 7.957 14.222 -22.258 1.00 19.98 ? 24 LEU A CG 1 +ATOM 576 C CD1 . LEU A 1 34 ? 7.296 15.094 -23.310 1.00 20.60 ? 24 LEU A CD1 1 +ATOM 577 C CD2 . LEU A 1 34 ? 6.885 13.497 -21.458 1.00 20.32 ? 24 LEU A CD2 1 +ATOM 578 H H . LEU A 1 34 ? 10.902 14.141 -21.874 1.00 23.58 ? 24 LEU A H 1 +ATOM 579 H HA . LEU A 1 34 ? 9.274 12.159 -21.302 1.00 23.84 ? 24 LEU A HA 1 +ATOM 580 H HB2 . LEU A 1 34 ? 9.449 13.788 -23.583 1.00 24.18 ? 24 LEU A HB2 1 +ATOM 581 H HB3 . LEU A 1 34 ? 8.366 12.630 -23.469 1.00 24.18 ? 24 LEU A HB3 1 +ATOM 582 H HG . LEU A 1 34 ? 8.464 14.752 -21.624 1.00 23.98 ? 24 LEU A HG 1 +ATOM 583 H HD11 . LEU A 1 34 ? 6.679 15.702 -22.874 1.00 24.72 ? 24 LEU A HD11 1 +ATOM 584 H HD12 . LEU A 1 34 ? 7.981 15.597 -23.779 1.00 24.72 ? 24 LEU A HD12 1 +ATOM 585 H HD13 . LEU A 1 34 ? 6.817 14.527 -23.934 1.00 24.72 ? 24 LEU A HD13 1 +ATOM 586 H HD21 . LEU A 1 34 ? 6.247 14.147 -21.123 1.00 24.38 ? 24 LEU A HD21 1 +ATOM 587 H HD22 . LEU A 1 34 ? 6.437 12.859 -22.035 1.00 24.38 ? 24 LEU A HD22 1 +ATOM 588 H HD23 . LEU A 1 34 ? 7.304 13.033 -20.716 1.00 24.38 ? 24 LEU A HD23 1 +ATOM 589 N N . SER A 1 35 ? 11.673 11.482 -23.239 1.00 21.38 ? 25 SER A N 1 +ATOM 590 C CA . SER A 1 35 ? 12.267 10.472 -24.104 1.00 24.30 ? 25 SER A CA 1 +ATOM 591 C C . SER A 1 35 ? 13.031 9.396 -23.341 1.00 26.21 ? 25 SER A C 1 +ATOM 592 O O . SER A 1 35 ? 13.146 8.265 -23.842 1.00 27.79 ? 25 SER A O 1 +ATOM 593 C CB . SER A 1 35 ? 13.242 11.171 -25.046 1.00 24.27 ? 25 SER A CB 1 +ATOM 594 O OG . SER A 1 35 ? 12.503 12.033 -25.919 1.00 27.22 ? 25 SER A OG 1 +ATOM 595 H H . SER A 1 35 ? 12.182 12.156 -23.076 1.00 25.65 ? 25 SER A H 1 +ATOM 596 H HA . SER A 1 35 ? 11.566 10.031 -24.608 1.00 29.16 ? 25 SER A HA 1 +ATOM 597 H HB2 . SER A 1 35 ? 13.872 11.697 -24.528 1.00 29.12 ? 25 SER A HB2 1 +ATOM 598 H HB3 . SER A 1 35 ? 13.717 10.507 -25.571 1.00 29.12 ? 25 SER A HB3 1 +ATOM 599 H HG . SER A 1 35 ? 12.079 12.602 -25.470 1.00 32.66 ? 25 SER A HG 1 +ATOM 600 N N . ILE A 1 36 ? 13.557 9.721 -22.157 1.00 23.30 ? 26 ILE A N 1 +ATOM 601 C CA . ILE A 1 36 ? 14.340 8.760 -21.369 1.00 22.30 ? 26 ILE A CA 1 +ATOM 602 C C . ILE A 1 36 ? 13.437 7.616 -20.956 1.00 23.52 ? 26 ILE A C 1 +ATOM 603 O O . ILE A 1 36 ? 12.350 7.834 -20.390 1.00 26.66 ? 26 ILE A O 1 +ATOM 604 C CB . ILE A 1 36 ? 14.943 9.470 -20.155 1.00 22.82 ? 26 ILE A CB 1 +ATOM 605 C CG1 . ILE A 1 36 ? 16.013 10.435 -20.584 1.00 23.34 ? 26 ILE A CG1 1 +ATOM 606 C CG2 . ILE A 1 36 ? 15.450 8.441 -19.128 1.00 26.19 ? 26 ILE A CG2 1 +ATOM 607 C CD1 . ILE A 1 36 ? 16.522 11.393 -19.509 1.00 31.36 ? 26 ILE A CD1 1 +ATOM 608 H H . ILE A 1 36 ? 13.476 10.492 -21.785 1.00 27.96 ? 26 ILE A H 1 +ATOM 609 H HA . ILE A 1 36 ? 15.063 8.399 -21.906 1.00 26.76 ? 26 ILE A HA 1 +ATOM 610 H HB . ILE A 1 36 ? 14.252 9.993 -19.719 1.00 27.39 ? 26 ILE A HB 1 +ATOM 611 H HG12 . ILE A 1 36 ? 16.775 9.922 -20.895 1.00 28.01 ? 26 ILE A HG12 1 +ATOM 612 H HG13 . ILE A 1 36 ? 15.660 10.977 -21.307 1.00 28.01 ? 26 ILE A HG13 1 +ATOM 613 H HG21 . ILE A 1 36 ? 16.052 8.882 -18.509 1.00 31.43 ? 26 ILE A HG21 1 +ATOM 614 H HG22 . ILE A 1 36 ? 14.691 8.074 -18.648 1.00 31.43 ? 26 ILE A HG22 1 +ATOM 615 H HG23 . ILE A 1 36 ? 15.919 7.732 -19.597 1.00 31.43 ? 26 ILE A HG23 1 +ATOM 616 H HD11 . ILE A 1 36 ? 17.164 12.001 -19.907 1.00 37.63 ? 26 ILE A HD11 1 +ATOM 617 H HD12 . ILE A 1 36 ? 15.772 11.892 -19.150 1.00 37.63 ? 26 ILE A HD12 1 +ATOM 618 H HD13 . ILE A 1 36 ? 16.946 10.880 -18.803 1.00 37.63 ? 26 ILE A HD13 1 +ATOM 619 N N A ASN A 1 37 ? 13.880 6.367 -21.136 0.48 19.63 ? 27 ASN A N 1 +ATOM 620 N N B ASN A 1 37 ? 13.864 6.400 -21.264 0.52 25.48 ? 27 ASN A N 1 +ATOM 621 C CA A ASN A 1 37 ? 13.048 5.191 -20.839 0.48 28.91 ? 27 ASN A CA 1 +ATOM 622 C CA B ASN A 1 37 ? 13.170 5.184 -20.883 0.52 18.22 ? 27 ASN A CA 1 +ATOM 623 C C A ASN A 1 37 ? 13.487 4.391 -19.593 0.48 20.77 ? 27 ASN A C 1 +ATOM 624 C C B ASN A 1 37 ? 14.046 4.453 -19.867 0.52 21.31 ? 27 ASN A C 1 +ATOM 625 O O A ASN A 1 37 ? 13.165 3.220 -19.444 0.48 31.28 ? 27 ASN A O 1 +ATOM 626 O O B ASN A 1 37 ? 14.678 3.445 -20.169 0.52 23.33 ? 27 ASN A O 1 +ATOM 627 C CB A ASN A 1 37 ? 12.936 4.270 -22.058 0.48 29.13 ? 27 ASN A CB 1 +ATOM 628 C CB B ASN A 1 37 ? 12.890 4.307 -22.124 0.52 29.30 ? 27 ASN A CB 1 +ATOM 629 C CG A ASN A 1 37 ? 11.990 4.808 -23.112 0.48 33.75 ? 27 ASN A CG 1 +ATOM 630 C CG B ASN A 1 37 ? 11.789 3.263 -21.893 0.52 38.43 ? 27 ASN A CG 1 +ATOM 631 O OD1 A ASN A 1 37 ? 11.018 5.502 -22.802 0.48 67.44 ? 27 ASN A OD1 1 +ATOM 632 O OD1 B ASN A 1 37 ? 11.227 3.135 -20.802 0.52 30.82 ? 27 ASN A OD1 1 +ATOM 633 N ND2 A ASN A 1 37 ? 12.276 4.496 -24.369 0.48 38.30 ? 27 ASN A ND2 1 +ATOM 634 N ND2 B ASN A 1 37 ? 11.466 2.521 -22.944 0.52 32.91 ? 27 ASN A ND2 1 +ATOM 635 H H A ASN A 1 37 ? 14.664 6.173 -21.431 0.48 23.55 ? 27 ASN A H 1 +ATOM 636 H H B ASN A 1 37 ? 14.582 6.250 -21.712 0.52 30.57 ? 27 ASN A H 1 +ATOM 637 H HA A ASN A 1 37 ? 12.164 5.533 -20.633 0.48 34.69 ? 27 ASN A HA 1 +ATOM 638 H HA B ASN A 1 37 ? 12.316 5.403 -20.479 0.52 21.86 ? 27 ASN A HA 1 +ATOM 639 H HB2 A ASN A 1 37 ? 13.812 4.173 -22.462 0.48 34.95 ? 27 ASN A HB2 1 +ATOM 640 H HB2 B ASN A 1 37 ? 12.609 4.879 -22.855 0.52 35.16 ? 27 ASN A HB2 1 +ATOM 641 H HB3 A ASN A 1 37 ? 12.605 3.405 -21.771 0.48 34.95 ? 27 ASN A HB3 1 +ATOM 642 H HB3 B ASN A 1 37 ? 13.702 3.834 -22.365 0.52 35.16 ? 27 ASN A HB3 1 +ATOM 643 H HD21 A ASN A 1 37 ? 11.772 4.775 -25.007 0.48 45.96 ? 27 ASN A HD21 1 +ATOM 644 H HD21 B ASN A 1 37 ? 10.855 1.919 -22.875 0.52 39.49 ? 27 ASN A HD21 1 +ATOM 645 H HD22 A ASN A 1 37 ? 12.966 4.014 -24.545 0.48 45.96 ? 27 ASN A HD22 1 +ATOM 646 H HD22 B ASN A 1 37 ? 11.867 2.642 -23.695 0.52 39.49 ? 27 ASN A HD22 1 +ATOM 647 N N . ASP A 1 38 ? 14.155 5.037 -18.671 1.00 29.93 ? 28 ASP A N 1 +ATOM 648 C CA . ASP A 1 38 ? 14.851 4.398 -17.548 1.00 24.65 ? 28 ASP A CA 1 +ATOM 649 C C . ASP A 1 38 ? 13.926 4.458 -16.342 1.00 21.10 ? 28 ASP A C 1 +ATOM 650 O O . ASP A 1 38 ? 13.482 5.546 -15.971 1.00 24.99 ? 28 ASP A O 1 +ATOM 651 C CB . ASP A 1 38 ? 16.175 5.136 -17.341 1.00 24.97 ? 28 ASP A CB 1 +ATOM 652 C CG . ASP A 1 38 ? 17.068 4.497 -16.283 1.00 25.15 ? 28 ASP A CG 1 +ATOM 653 O OD1 . ASP A 1 38 ? 16.679 4.641 -15.085 1.00 27.41 ? 28 ASP A OD1 1 +ATOM 654 O OD2 . ASP A 1 38 ? 18.143 3.927 -16.610 1.00 28.08 ? 28 ASP A OD2 1 +ATOM 655 H H A ASP A 1 38 ? 14.232 5.894 -18.660 0.48 35.92 ? 28 ASP A H 1 +ATOM 656 H H B ASP A 1 38 ? 13.830 5.812 -18.483 0.52 35.92 ? 28 ASP A H 1 +ATOM 657 H HA . ASP A 1 38 ? 15.046 3.459 -17.695 1.00 29.58 ? 28 ASP A HA 1 +ATOM 658 H HB2 . ASP A 1 38 ? 16.665 5.141 -18.178 1.00 29.96 ? 28 ASP A HB2 1 +ATOM 659 H HB3 . ASP A 1 38 ? 15.987 6.045 -17.061 1.00 29.96 ? 28 ASP A HB3 1 +ATOM 660 N N . ARG A 1 39 ? 13.606 3.296 -15.777 1.00 25.33 ? 29 ARG A N 1 +ATOM 661 C CA . ARG A 1 39 ? 12.703 3.173 -14.627 1.00 29.67 ? 29 ARG A CA 1 +ATOM 662 C C . ARG A 1 39 ? 13.128 4.074 -13.466 1.00 21.98 ? 29 ARG A C 1 +ATOM 663 O O . ARG A 1 39 ? 12.301 4.684 -12.789 1.00 21.96 ? 29 ARG A O 1 +ATOM 664 C CB . ARG A 1 39 ? 12.705 1.697 -14.158 1.00 31.35 ? 29 ARG A CB 1 +ATOM 665 C CG . ARG A 1 39 ? 11.356 1.081 -13.919 1.00 78.29 ? 29 ARG A CG 1 +ATOM 666 C CD . ARG A 1 39 ? 11.266 -0.394 -14.382 1.00 90.52 ? 29 ARG A CD 1 +ATOM 667 N NE . ARG A 1 39 ? 12.447 -1.225 -14.099 1.00 47.15 ? 29 ARG A NE 1 +ATOM 668 C CZ . ARG A 1 39 ? 13.093 -1.963 -15.009 1.00 57.27 ? 29 ARG A CZ 1 +ATOM 669 N NH1 . ARG A 1 39 ? 14.149 -2.705 -14.665 1.00 53.54 ? 29 ARG A NH1 1 +ATOM 670 N NH2 . ARG A 1 39 ? 12.677 -1.996 -16.262 1.00 51.03 ? 29 ARG A NH2 1 +ATOM 671 H H . ARG A 1 39 ? 13.905 2.536 -16.046 1.00 30.40 ? 29 ARG A H 1 +ATOM 672 H HA . ARG A 1 39 ? 11.810 3.438 -14.896 1.00 35.60 ? 29 ARG A HA 1 +ATOM 673 H HB2 . ARG A 1 39 ? 13.148 1.163 -14.837 1.00 37.62 ? 29 ARG A HB2 1 +ATOM 674 H HB3 . ARG A 1 39 ? 13.196 1.644 -13.323 1.00 37.62 ? 29 ARG A HB3 1 +ATOM 675 H HG2 . ARG A 1 39 ? 11.162 1.107 -12.969 1.00 93.95 ? 29 ARG A HG2 1 +ATOM 676 H HG3 . ARG A 1 39 ? 10.688 1.588 -14.408 1.00 93.95 ? 29 ARG A HG3 1 +ATOM 677 H HD2 . ARG A 1 39 ? 10.510 -0.807 -13.936 1.00 108.63 ? 29 ARG A HD2 1 +ATOM 678 H HD3 . ARG A 1 39 ? 11.131 -0.404 -15.342 1.00 108.63 ? 29 ARG A HD3 1 +ATOM 679 H HE . ARG A 1 39 ? 12.743 -1.238 -13.291 1.00 56.58 ? 29 ARG A HE 1 +ATOM 680 H HH11 . ARG A 1 39 ? 14.422 -2.712 -13.849 1.00 64.25 ? 29 ARG A HH11 1 +ATOM 681 H HH12 . ARG A 1 39 ? 14.556 -3.175 -15.258 1.00 64.25 ? 29 ARG A HH12 1 +ATOM 682 H HH21 . ARG A 1 39 ? 11.987 -1.541 -16.498 1.00 61.24 ? 29 ARG A HH21 1 +ATOM 683 H HH22 . ARG A 1 39 ? 13.097 -2.472 -16.842 1.00 61.24 ? 29 ARG A HH22 1 +ATOM 684 N N . GLY A 1 40 ? 14.437 4.185 -13.226 1.00 24.21 ? 30 GLY A N 1 +ATOM 685 C CA . GLY A 1 40 ? 14.889 5.005 -12.107 1.00 23.32 ? 30 GLY A CA 1 +ATOM 686 C C . GLY A 1 40 ? 14.827 6.495 -12.359 1.00 21.31 ? 30 GLY A C 1 +ATOM 687 O O . GLY A 1 40 ? 14.447 7.262 -11.455 1.00 22.83 ? 30 GLY A O 1 +ATOM 688 H H . GLY A 1 40 ? 15.061 3.809 -13.682 1.00 29.05 ? 30 GLY A H 1 +ATOM 689 H HA2 . GLY A 1 40 ? 14.336 4.810 -11.334 1.00 27.98 ? 30 GLY A HA2 1 +ATOM 690 H HA3 . GLY A 1 40 ? 15.809 4.775 -11.903 1.00 27.98 ? 30 GLY A HA3 1 +ATOM 691 N N . PHE A 1 41 ? 15.061 6.948 -13.602 1.00 19.68 ? 31 PHE A N 1 +ATOM 692 C CA . PHE A 1 41 ? 14.808 8.325 -13.925 1.00 18.52 ? 31 PHE A CA 1 +ATOM 693 C C . PHE A 1 41 ? 13.327 8.620 -13.743 1.00 20.45 ? 31 PHE A C 1 +ATOM 694 O O . PHE A 1 41 ? 12.938 9.642 -13.173 1.00 18.84 ? 31 PHE A O 1 +ATOM 695 C CB . PHE A 1 41 ? 15.208 8.640 -15.376 1.00 19.78 ? 31 PHE A CB 1 +ATOM 696 C CG . PHE A 1 41 ? 14.752 9.986 -15.814 1.00 19.17 ? 31 PHE A CG 1 +ATOM 697 C CD1 . PHE A 1 41 ? 15.511 11.127 -15.489 1.00 20.65 ? 31 PHE A CD1 1 +ATOM 698 C CD2 . PHE A 1 41 ? 13.553 10.178 -16.488 1.00 19.94 ? 31 PHE A CD2 1 +ATOM 699 C CE1 . PHE A 1 41 ? 15.062 12.356 -15.823 1.00 22.07 ? 31 PHE A CE1 1 +ATOM 700 C CE2 . PHE A 1 41 ? 13.118 11.444 -16.862 1.00 19.97 ? 31 PHE A CE2 1 +ATOM 701 C CZ . PHE A 1 41 ? 13.860 12.531 -16.507 1.00 21.88 ? 31 PHE A CZ 1 +ATOM 702 H H . PHE A 1 41 ? 15.360 6.472 -14.253 1.00 23.62 ? 31 PHE A H 1 +ATOM 703 H HA . PHE A 1 41 ? 15.345 8.884 -13.342 1.00 22.22 ? 31 PHE A HA 1 +ATOM 704 H HB2 . PHE A 1 41 ? 16.175 8.610 -15.451 1.00 23.73 ? 31 PHE A HB2 1 +ATOM 705 H HB3 . PHE A 1 41 ? 14.810 7.980 -15.964 1.00 23.73 ? 31 PHE A HB3 1 +ATOM 706 H HD1 . PHE A 1 41 ? 16.322 11.034 -15.044 1.00 24.78 ? 31 PHE A HD1 1 +ATOM 707 H HD2 . PHE A 1 41 ? 13.028 9.440 -16.696 1.00 23.92 ? 31 PHE A HD2 1 +ATOM 708 H HE1 . PHE A 1 41 ? 15.566 13.103 -15.592 1.00 26.49 ? 31 PHE A HE1 1 +ATOM 709 H HE2 . PHE A 1 41 ? 12.332 11.548 -17.348 1.00 23.96 ? 31 PHE A HE2 1 +ATOM 710 H HZ . PHE A 1 41 ? 13.565 13.387 -16.720 1.00 26.26 ? 31 PHE A HZ 1 +ATOM 711 N N . ASN A 1 42 ? 12.469 7.753 -14.305 1.00 20.34 ? 32 ASN A N 1 +ATOM 712 C CA . ASN A 1 42 ? 11.019 8.020 -14.231 1.00 17.41 ? 32 ASN A CA 1 +ATOM 713 C C . ASN A 1 42 ? 10.556 8.086 -12.782 1.00 17.79 ? 32 ASN A C 1 +ATOM 714 O O . ASN A 1 42 ? 9.747 8.951 -12.429 1.00 18.13 ? 32 ASN A O 1 +ATOM 715 C CB . ASN A 1 42 ? 10.252 6.925 -14.971 1.00 18.49 ? 32 ASN A CB 1 +ATOM 716 C CG . ASN A 1 42 ? 10.441 6.964 -16.470 1.00 19.20 ? 32 ASN A CG 1 +ATOM 717 O OD1 . ASN A 1 42 ? 10.930 7.922 -17.022 1.00 18.92 ? 32 ASN A OD1 1 +ATOM 718 N ND2 . ASN A 1 42 ? 10.055 5.899 -17.111 1.00 19.95 ? 32 ASN A ND2 1 +ATOM 719 H H . ASN A 1 42 ? 12.689 7.032 -14.719 1.00 24.41 ? 32 ASN A H 1 +ATOM 720 H HA . ASN A 1 42 ? 10.831 8.870 -14.659 1.00 20.89 ? 32 ASN A HA 1 +ATOM 721 H HB2 . ASN A 1 42 ? 10.559 6.061 -14.656 1.00 22.19 ? 32 ASN A HB2 1 +ATOM 722 H HB3 . ASN A 1 42 ? 9.305 7.028 -14.788 1.00 22.19 ? 32 ASN A HB3 1 +ATOM 723 H HD21 . ASN A 1 42 ? 10.136 5.859 -17.967 1.00 23.94 ? 32 ASN A HD21 1 +ATOM 724 H HD22 . ASN A 1 42 ? 9.720 5.235 -16.679 1.00 23.94 ? 32 ASN A HD22 1 +ATOM 725 N N . GLU A 1 43 ? 11.053 7.180 -11.949 1.00 18.03 ? 33 GLU A N 1 +ATOM 726 C CA . GLU A 1 43 ? 10.660 7.192 -10.540 1.00 17.08 ? 33 GLU A CA 1 +ATOM 727 C C . GLU A 1 43 ? 11.083 8.495 -9.864 1.00 20.17 ? 33 GLU A C 1 +ATOM 728 O O . GLU A 1 43 ? 10.331 9.057 -9.082 1.00 18.96 ? 33 GLU A O 1 +ATOM 729 C CB . GLU A 1 43 ? 11.183 5.942 -9.856 1.00 23.68 ? 33 GLU A CB 1 +ATOM 730 C CG . GLU A 1 43 ? 11.056 5.890 -8.367 1.00 55.69 ? 33 GLU A CG 1 +ATOM 731 C CD . GLU A 1 43 ? 11.293 4.482 -7.820 1.00 72.22 ? 33 GLU A CD 1 +ATOM 732 O OE1 . GLU A 1 43 ? 11.229 3.509 -8.603 1.00 50.70 ? 33 GLU A OE1 1 +ATOM 733 O OE2 . GLU A 1 43 ? 11.541 4.352 -6.606 1.00 92.30 ? 33 GLU A OE2 1 +ATOM 734 H H . GLU A 1 43 ? 11.606 6.558 -12.165 1.00 21.63 ? 33 GLU A H 1 +ATOM 735 H HA . GLU A 1 43 ? 9.694 7.158 -10.454 1.00 20.50 ? 33 GLU A HA 1 +ATOM 736 H HB2 . GLU A 1 43 ? 10.698 5.180 -10.210 1.00 28.41 ? 33 GLU A HB2 1 +ATOM 737 H HB3 . GLU A 1 43 ? 12.127 5.858 -10.064 1.00 28.41 ? 33 GLU A HB3 1 +ATOM 738 H HG2 . GLU A 1 43 ? 11.712 6.484 -7.970 1.00 66.82 ? 33 GLU A HG2 1 +ATOM 739 H HG3 . GLU A 1 43 ? 10.161 6.167 -8.114 1.00 66.82 ? 33 GLU A HG3 1 +ATOM 740 N N . ALA A 1 44 ? 12.271 9.001 -10.157 1.00 19.26 ? 34 ALA A N 1 +ATOM 741 C CA . ALA A 1 44 ? 12.705 10.289 -9.616 1.00 20.20 ? 34 ALA A CA 1 +ATOM 742 C C . ALA A 1 44 ? 11.850 11.437 -10.119 1.00 18.18 ? 34 ALA A C 1 +ATOM 743 O O . ALA A 1 44 ? 11.529 12.359 -9.358 1.00 19.56 ? 34 ALA A O 1 +ATOM 744 C CB . ALA A 1 44 ? 14.176 10.523 -9.982 1.00 21.17 ? 34 ALA A CB 1 +ATOM 745 H H . ALA A 1 44 ? 12.850 8.623 -10.668 1.00 23.11 ? 34 ALA A H 1 +ATOM 746 H HA . ALA A 1 44 ? 12.618 10.265 -8.650 1.00 24.24 ? 34 ALA A HA 1 +ATOM 747 H HB1 . ALA A 1 44 ? 14.457 11.381 -9.628 1.00 25.41 ? 34 ALA A HB1 1 +ATOM 748 H HB2 . ALA A 1 44 ? 14.714 9.813 -9.596 1.00 25.41 ? 34 ALA A HB2 1 +ATOM 749 H HB3 . ALA A 1 44 ? 14.265 10.518 -10.948 1.00 25.41 ? 34 ALA A HB3 1 +ATOM 750 N N . LEU A 1 45 ? 11.454 11.407 -11.398 1.00 16.86 ? 35 LEU A N 1 +ATOM 751 C CA . LEU A 1 45 ? 10.543 12.410 -11.930 1.00 16.72 ? 35 LEU A CA 1 +ATOM 752 C C . LEU A 1 45 ? 9.192 12.367 -11.207 1.00 16.31 ? 35 LEU A C 1 +ATOM 753 O O . LEU A 1 45 ? 8.649 13.413 -10.845 1.00 16.63 ? 35 LEU A O 1 +ATOM 754 C CB . LEU A 1 45 ? 10.353 12.170 -13.430 1.00 16.41 ? 35 LEU A CB 1 +ATOM 755 C CG . LEU A 1 45 ? 9.379 13.074 -14.141 1.00 16.77 ? 35 LEU A CG 1 +ATOM 756 C CD1 . LEU A 1 45 ? 9.919 14.524 -14.192 1.00 21.67 ? 35 LEU A CD1 1 +ATOM 757 C CD2 . LEU A 1 45 ? 9.043 12.585 -15.557 1.00 19.98 ? 35 LEU A CD2 1 +ATOM 758 H H . LEU A 1 45 ? 11.700 10.816 -11.972 1.00 20.24 ? 35 LEU A H 1 +ATOM 759 H HA . LEU A 1 45 ? 10.925 13.292 -11.798 1.00 20.06 ? 35 LEU A HA 1 +ATOM 760 H HB2 . LEU A 1 45 ? 11.214 12.282 -13.863 1.00 19.70 ? 35 LEU A HB2 1 +ATOM 761 H HB3 . LEU A 1 45 ? 10.037 11.261 -13.551 1.00 19.70 ? 35 LEU A HB3 1 +ATOM 762 H HG . LEU A 1 45 ? 8.552 13.062 -13.635 1.00 20.12 ? 35 LEU A HG 1 +ATOM 763 H HD11 . LEU A 1 45 ? 9.301 15.073 -14.698 1.00 26.01 ? 35 LEU A HD11 1 +ATOM 764 H HD12 . LEU A 1 45 ? 9.999 14.863 -13.286 1.00 26.01 ? 35 LEU A HD12 1 +ATOM 765 H HD13 . LEU A 1 45 ? 10.789 14.522 -14.622 1.00 26.01 ? 35 LEU A HD13 1 +ATOM 766 H HD21 . LEU A 1 45 ? 8.405 13.196 -15.959 1.00 23.97 ? 35 LEU A HD21 1 +ATOM 767 H HD22 . LEU A 1 45 ? 9.856 12.562 -16.085 1.00 23.97 ? 35 LEU A HD22 1 +ATOM 768 H HD23 . LEU A 1 45 ? 8.659 11.696 -15.501 1.00 23.97 ? 35 LEU A HD23 1 +ATOM 769 N N . PHE A 1 46 ? 8.647 11.162 -11.008 1.00 15.68 ? 36 PHE A N 1 +ATOM 770 C CA . PHE A 1 46 ? 7.380 11.026 -10.276 1.00 15.06 ? 36 PHE A CA 1 +ATOM 771 C C . PHE A 1 46 ? 7.518 11.536 -8.849 1.00 17.02 ? 36 PHE A C 1 +ATOM 772 O O . PHE A 1 46 ? 6.591 12.203 -8.363 1.00 17.67 ? 36 PHE A O 1 +ATOM 773 C CB . PHE A 1 46 ? 6.913 9.573 -10.277 1.00 15.75 ? 36 PHE A CB 1 +ATOM 774 C CG . PHE A 1 46 ? 6.705 8.954 -11.645 1.00 14.46 ? 36 PHE A CG 1 +ATOM 775 C CD1 . PHE A 1 46 ? 6.279 9.729 -12.741 1.00 15.56 ? 36 PHE A CD1 1 +ATOM 776 C CD2 . PHE A 1 46 ? 6.932 7.649 -11.820 1.00 16.19 ? 36 PHE A CD2 1 +ATOM 777 C CE1 . PHE A 1 46 ? 6.115 9.155 -13.941 1.00 15.57 ? 36 PHE A CE1 1 +ATOM 778 C CE2 . PHE A 1 46 ? 6.799 7.067 -13.088 1.00 18.27 ? 36 PHE A CE2 1 +ATOM 779 C CZ . PHE A 1 46 ? 6.391 7.842 -14.155 1.00 15.99 ? 36 PHE A CZ 1 +ATOM 780 H H . PHE A 1 46 ? 8.984 10.419 -11.280 1.00 18.81 ? 36 PHE A H 1 +ATOM 781 H HA . PHE A 1 46 ? 6.704 11.554 -10.728 1.00 18.08 ? 36 PHE A HA 1 +ATOM 782 H HB2 . PHE A 1 46 ? 7.579 9.038 -9.817 1.00 18.90 ? 36 PHE A HB2 1 +ATOM 783 H HB3 . PHE A 1 46 ? 6.066 9.524 -9.806 1.00 18.90 ? 36 PHE A HB3 1 +ATOM 784 H HD1 . PHE A 1 46 ? 6.110 10.637 -12.632 1.00 18.67 ? 36 PHE A HD1 1 +ATOM 785 H HD2 . PHE A 1 46 ? 7.181 7.123 -11.095 1.00 19.43 ? 36 PHE A HD2 1 +ATOM 786 H HE1 . PHE A 1 46 ? 5.804 9.672 -14.649 1.00 18.68 ? 36 PHE A HE1 1 +ATOM 787 H HE2 . PHE A 1 46 ? 6.985 6.164 -13.210 1.00 21.92 ? 36 PHE A HE2 1 +ATOM 788 H HZ . PHE A 1 46 ? 6.305 7.472 -15.005 1.00 19.19 ? 36 PHE A HZ 1 +ATOM 789 N N . LYS A 1 47 ? 8.628 11.248 -8.186 1.00 16.80 ? 37 LYS A N 1 +ATOM 790 C CA . LYS A 1 47 ? 8.811 11.726 -6.810 1.00 17.75 ? 37 LYS A CA 1 +ATOM 791 C C . LYS A 1 47 ? 8.955 13.239 -6.750 1.00 20.35 ? 37 LYS A C 1 +ATOM 792 O O . LYS A 1 47 ? 8.465 13.865 -5.808 1.00 18.67 ? 37 LYS A O 1 +ATOM 793 C CB . LYS A 1 47 ? 9.997 11.020 -6.181 1.00 21.93 ? 37 LYS A CB 1 +ATOM 794 C CG . LYS A 1 47 ? 9.723 9.582 -5.822 1.00 25.16 ? 37 LYS A CG 1 +ATOM 795 C CD . LYS A 1 47 ? 11.000 8.941 -5.281 1.00 51.44 ? 37 LYS A CD 1 +ATOM 796 C CE . LYS A 1 47 ? 10.782 7.506 -4.876 1.00 71.22 ? 37 LYS A CE 1 +ATOM 797 N NZ . LYS A 1 47 ? 12.096 6.810 -4.728 1.00 74.43 ? 37 LYS A NZ 1 +ATOM 798 H H . LYS A 1 47 ? 9.284 10.787 -8.498 1.00 20.16 ? 37 LYS A H 1 +ATOM 799 H HA . LYS A 1 47 ? 8.024 11.503 -6.288 1.00 21.30 ? 37 LYS A HA 1 +ATOM 800 H HB2 . LYS A 1 47 ? 10.737 11.033 -6.808 1.00 26.32 ? 37 LYS A HB2 1 +ATOM 801 H HB3 . LYS A 1 47 ? 10.243 11.487 -5.367 1.00 26.32 ? 37 LYS A HB3 1 +ATOM 802 H HG2 . LYS A 1 47 ? 9.036 9.538 -5.138 1.00 30.19 ? 37 LYS A HG2 1 +ATOM 803 H HG3 . LYS A 1 47 ? 9.437 9.094 -6.610 1.00 30.19 ? 37 LYS A HG3 1 +ATOM 804 H HD2 . LYS A 1 47 ? 11.683 8.961 -5.969 1.00 61.73 ? 37 LYS A HD2 1 +ATOM 805 H HD3 . LYS A 1 47 ? 11.299 9.433 -4.501 1.00 61.73 ? 37 LYS A HD3 1 +ATOM 806 H HE2 . LYS A 1 47 ? 10.315 7.473 -4.027 1.00 85.46 ? 37 LYS A HE2 1 +ATOM 807 H HE3 . LYS A 1 47 ? 10.264 7.049 -5.557 1.00 85.46 ? 37 LYS A HE3 1 +ATOM 808 H HZ1 . LYS A 1 47 ? 12.589 7.217 -4.109 1.00 89.32 ? 37 LYS A HZ1 1 +ATOM 809 H HZ2 . LYS A 1 47 ? 11.967 5.964 -4.484 1.00 89.32 ? 37 LYS A HZ2 1 +ATOM 810 H HZ3 . LYS A 1 47 ? 12.537 6.823 -5.502 1.00 89.32 ? 37 LYS A HZ3 1 +ATOM 811 N N . LEU A 1 48 ? 9.600 13.860 -7.742 1.00 18.55 ? 38 LEU A N 1 +ATOM 812 C CA . LEU A 1 48 ? 9.656 15.311 -7.805 1.00 18.75 ? 38 LEU A CA 1 +ATOM 813 C C . LEU A 1 48 ? 8.272 15.910 -7.944 1.00 17.65 ? 38 LEU A C 1 +ATOM 814 O O . LEU A 1 48 ? 7.915 16.867 -7.235 1.00 17.53 ? 38 LEU A O 1 +ATOM 815 C CB . LEU A 1 48 ? 10.579 15.739 -8.946 1.00 20.13 ? 38 LEU A CB 1 +ATOM 816 C CG . LEU A 1 48 ? 10.662 17.248 -9.176 1.00 19.78 ? 38 LEU A CG 1 +ATOM 817 C CD1 . LEU A 1 48 ? 11.070 18.007 -7.940 1.00 20.40 ? 38 LEU A CD1 1 +ATOM 818 C CD2 . LEU A 1 48 ? 11.661 17.495 -10.330 1.00 21.02 ? 38 LEU A CD2 1 +ATOM 819 H H . LEU A 1 48 ? 10.009 13.462 -8.385 1.00 22.26 ? 38 LEU A H 1 +ATOM 820 H HA . LEU A 1 48 ? 10.031 15.655 -6.979 1.00 22.51 ? 38 LEU A HA 1 +ATOM 821 H HB2 . LEU A 1 48 ? 11.476 15.424 -8.749 1.00 24.16 ? 38 LEU A HB2 1 +ATOM 822 H HB3 . LEU A 1 48 ? 10.259 15.336 -9.768 1.00 24.16 ? 38 LEU A HB3 1 +ATOM 823 H HG . LEU A 1 48 ? 9.784 17.589 -9.407 1.00 23.74 ? 38 LEU A HG 1 +ATOM 824 H HD11 . LEU A 1 48 ? 11.216 18.937 -8.174 1.00 24.48 ? 38 LEU A HD11 1 +ATOM 825 H HD12 . LEU A 1 48 ? 10.362 17.939 -7.280 1.00 24.48 ? 38 LEU A HD12 1 +ATOM 826 H HD13 . LEU A 1 48 ? 11.888 17.622 -7.588 1.00 24.48 ? 38 LEU A HD13 1 +ATOM 827 H HD21 . LEU A 1 48 ? 11.728 18.449 -10.492 1.00 25.22 ? 38 LEU A HD21 1 +ATOM 828 H HD22 . LEU A 1 48 ? 12.529 17.141 -10.078 1.00 25.22 ? 38 LEU A HD22 1 +ATOM 829 H HD23 . LEU A 1 48 ? 11.340 17.047 -11.128 1.00 25.22 ? 38 LEU A HD23 1 +ATOM 830 N N . ALA A 1 49 ? 7.490 15.394 -8.885 1.00 16.48 ? 39 ALA A N 1 +ATOM 831 C CA . ALA A 1 49 ? 6.141 15.878 -9.061 1.00 15.27 ? 39 ALA A CA 1 +ATOM 832 C C . ALA A 1 49 ? 5.304 15.676 -7.791 1.00 15.99 ? 39 ALA A C 1 +ATOM 833 O O . ALA A 1 49 ? 4.569 16.590 -7.399 1.00 15.49 ? 39 ALA A O 1 +ATOM 834 C CB . ALA A 1 49 ? 5.483 15.203 -10.251 1.00 15.62 ? 39 ALA A CB 1 +ATOM 835 H H . ALA A 1 49 ? 7.720 14.768 -9.428 1.00 19.78 ? 39 ALA A H 1 +ATOM 836 H HA . ALA A 1 49 ? 6.180 16.830 -9.247 1.00 18.33 ? 39 ALA A HA 1 +ATOM 837 H HB1 . ALA A 1 49 ? 4.594 15.574 -10.372 1.00 18.74 ? 39 ALA A HB1 1 +ATOM 838 H HB2 . ALA A 1 49 ? 6.019 15.365 -11.042 1.00 18.74 ? 39 ALA A HB2 1 +ATOM 839 H HB3 . ALA A 1 49 ? 5.423 14.250 -10.080 1.00 18.74 ? 39 ALA A HB3 1 +ATOM 840 N N . ASP A 1 50 ? 5.446 14.512 -7.168 1.00 15.31 ? 40 ASP A N 1 +ATOM 841 C CA . ASP A 1 50 ? 4.734 14.285 -5.912 1.00 15.70 ? 40 ASP A CA 1 +ATOM 842 C C . ASP A 1 50 ? 5.153 15.260 -4.831 1.00 16.42 ? 40 ASP A C 1 +ATOM 843 O O . ASP A 1 50 ? 4.271 15.735 -4.082 1.00 16.92 ? 40 ASP A O 1 +ATOM 844 C CB . ASP A 1 50 ? 4.940 12.844 -5.500 1.00 15.92 ? 40 ASP A CB 1 +ATOM 845 C CG . ASP A 1 50 ? 4.187 12.483 -4.257 1.00 17.30 ? 40 ASP A CG 1 +ATOM 846 O OD1 . ASP A 1 50 ? 2.935 12.348 -4.322 1.00 18.21 ? 40 ASP A OD1 1 +ATOM 847 O OD2 . ASP A 1 50 ? 4.830 12.307 -3.200 1.00 19.08 ? 40 ASP A OD2 1 +ATOM 848 H H . ASP A 1 50 ? 5.932 13.857 -7.440 1.00 18.37 ? 40 ASP A H 1 +ATOM 849 H HA . ASP A 1 50 ? 3.784 14.433 -6.040 1.00 18.84 ? 40 ASP A HA 1 +ATOM 850 H HB2 . ASP A 1 50 ? 4.634 12.264 -6.215 1.00 19.10 ? 40 ASP A HB2 1 +ATOM 851 H HB3 . ASP A 1 50 ? 5.884 12.695 -5.333 1.00 19.10 ? 40 ASP A HB3 1 +ATOM 852 N N . GLU A 1 51 ? 6.424 15.601 -4.749 1.00 16.59 ? 41 GLU A N 1 +ATOM 853 C CA . GLU A 1 51 ? 6.870 16.557 -3.761 1.00 18.01 ? 41 GLU A CA 1 +ATOM 854 C C . GLU A 1 51 ? 6.222 17.910 -4.013 1.00 17.40 ? 41 GLU A C 1 +ATOM 855 O O . GLU A 1 51 ? 5.769 18.582 -3.089 1.00 19.33 ? 41 GLU A O 1 +ATOM 856 C CB . GLU A 1 51 ? 8.383 16.679 -3.854 1.00 22.96 ? 41 GLU A CB 1 +ATOM 857 C CG . GLU A 1 51 ? 8.954 17.582 -2.864 1.00 29.44 ? 41 GLU A CG 1 +ATOM 858 C CD . GLU A 1 51 ? 10.469 17.656 -3.021 1.00 67.73 ? 41 GLU A CD 1 +ATOM 859 O OE1 . GLU A 1 51 ? 10.964 18.469 -3.827 1.00 63.26 ? 41 GLU A OE1 1 +ATOM 860 O OE2 . GLU A 1 51 ? 11.151 16.864 -2.364 1.00 39.00 ? 41 GLU A OE2 1 +ATOM 861 H H . GLU A 1 51 ? 7.049 15.293 -5.253 1.00 19.91 ? 41 GLU A H 1 +ATOM 862 H HA . GLU A 1 51 ? 6.628 16.257 -2.871 1.00 21.61 ? 41 GLU A HA 1 +ATOM 863 H HB2 . GLU A 1 51 ? 8.776 15.803 -3.720 1.00 27.55 ? 41 GLU A HB2 1 +ATOM 864 H HB3 . GLU A 1 51 ? 8.616 17.016 -4.733 1.00 27.55 ? 41 GLU A HB3 1 +ATOM 865 H HG2 . GLU A 1 51 ? 8.587 18.471 -2.985 1.00 35.32 ? 41 GLU A HG2 1 +ATOM 866 H HG3 . GLU A 1 51 ? 8.751 17.257 -1.973 1.00 35.32 ? 41 GLU A HG3 1 +ATOM 867 N N . ILE A 1 52 ? 6.212 18.356 -5.264 1.00 16.07 ? 42 ILE A N 1 +ATOM 868 C CA . ILE A 1 52 ? 5.657 19.648 -5.587 1.00 16.14 ? 42 ILE A CA 1 +ATOM 869 C C . ILE A 1 52 ? 4.165 19.640 -5.278 1.00 16.02 ? 42 ILE A C 1 +ATOM 870 O O . ILE A 1 52 ? 3.606 20.636 -4.764 1.00 16.74 ? 42 ILE A O 1 +ATOM 871 C CB . ILE A 1 52 ? 5.960 19.997 -7.073 1.00 16.03 ? 42 ILE A CB 1 +ATOM 872 C CG1 . ILE A 1 52 ? 7.449 20.208 -7.205 1.00 20.85 ? 42 ILE A CG1 1 +ATOM 873 C CG2 . ILE A 1 52 ? 5.197 21.194 -7.536 1.00 17.03 ? 42 ILE A CG2 1 +ATOM 874 C CD1 . ILE A 1 52 ? 7.933 20.471 -8.628 1.00 38.42 ? 42 ILE A CD1 1 +ATOM 875 H H . ILE A 1 52 ? 6.522 17.925 -5.940 1.00 19.28 ? 42 ILE A H 1 +ATOM 876 H HA . ILE A 1 52 ? 6.072 20.336 -5.043 1.00 19.37 ? 42 ILE A HA 1 +ATOM 877 H HB . ILE A 1 52 ? 5.673 19.264 -7.639 1.00 19.23 ? 42 ILE A HB 1 +ATOM 878 H HG12 . ILE A 1 52 ? 7.701 20.973 -6.665 1.00 25.02 ? 42 ILE A HG12 1 +ATOM 879 H HG13 . ILE A 1 52 ? 7.902 19.412 -6.884 1.00 25.02 ? 42 ILE A HG13 1 +ATOM 880 H HG21 . ILE A 1 52 ? 5.479 21.418 -8.437 1.00 20.44 ? 42 ILE A HG21 1 +ATOM 881 H HG22 . ILE A 1 52 ? 4.250 20.987 -7.527 1.00 20.44 ? 42 ILE A HG22 1 +ATOM 882 H HG23 . ILE A 1 52 ? 5.380 21.936 -6.939 1.00 20.44 ? 42 ILE A HG23 1 +ATOM 883 H HD11 . ILE A 1 52 ? 8.888 20.309 -8.672 1.00 46.10 ? 42 ILE A HD11 1 +ATOM 884 H HD12 . ILE A 1 52 ? 7.468 19.873 -9.235 1.00 46.10 ? 42 ILE A HD12 1 +ATOM 885 H HD13 . ILE A 1 52 ? 7.742 21.393 -8.861 1.00 46.10 ? 42 ILE A HD13 1 +ATOM 886 N N . ARG A 1 53 ? 3.482 18.550 -5.605 1.00 15.25 ? 43 ARG A N 1 +ATOM 887 C CA . ARG A 1 53 ? 2.067 18.413 -5.268 1.00 14.48 ? 43 ARG A CA 1 +ATOM 888 C C . ARG A 1 53 ? 1.856 18.560 -3.755 1.00 15.39 ? 43 ARG A C 1 +ATOM 889 O O . ARG A 1 53 ? 0.986 19.356 -3.333 1.00 16.46 ? 43 ARG A O 1 +ATOM 890 C CB . ARG A 1 53 ? 1.573 17.074 -5.793 1.00 15.04 ? 43 ARG A CB 1 +ATOM 891 C CG . ARG A 1 53 ? 0.096 16.746 -5.675 1.00 15.02 ? 43 ARG A CG 1 +ATOM 892 C CD . ARG A 1 53 ? -0.320 16.279 -4.259 1.00 15.04 ? 43 ARG A CD 1 +ATOM 893 N NE . ARG A 1 53 ? 0.339 15.055 -3.901 1.00 15.94 ? 43 ARG A NE 1 +ATOM 894 C CZ . ARG A 1 53 ? 0.364 14.512 -2.692 1.00 15.20 ? 43 ARG A CZ 1 +ATOM 895 N NH1 . ARG A 1 53 ? -0.247 15.148 -1.690 1.00 17.18 ? 43 ARG A NH1 1 +ATOM 896 N NH2 . ARG A 1 53 ? 0.986 13.396 -2.466 1.00 16.41 ? 43 ARG A NH2 1 +ATOM 897 H H . ARG A 1 53 ? 3.811 17.874 -6.023 1.00 18.30 ? 43 ARG A H 1 +ATOM 898 H HA . ARG A 1 53 ? 1.544 19.110 -5.694 1.00 17.37 ? 43 ARG A HA 1 +ATOM 899 H HB2 . ARG A 1 53 ? 1.790 17.032 -6.738 1.00 18.05 ? 43 ARG A HB2 1 +ATOM 900 H HB3 . ARG A 1 53 ? 2.049 16.378 -5.313 1.00 18.05 ? 43 ARG A HB3 1 +ATOM 901 H HG2 . ARG A 1 53 ? -0.420 17.539 -5.889 1.00 18.03 ? 43 ARG A HG2 1 +ATOM 902 H HG3 . ARG A 1 53 ? -0.118 16.034 -6.298 1.00 18.03 ? 43 ARG A HG3 1 +ATOM 903 H HD2 . ARG A 1 53 ? -0.078 16.959 -3.611 1.00 18.05 ? 43 ARG A HD2 1 +ATOM 904 H HD3 . ARG A 1 53 ? -1.278 16.128 -4.238 1.00 18.05 ? 43 ARG A HD3 1 +ATOM 905 H HE . ARG A 1 53 ? 0.755 14.637 -4.527 1.00 19.12 ? 43 ARG A HE 1 +ATOM 906 H HH11 . ARG A 1 53 ? -0.647 15.895 -1.835 1.00 20.62 ? 43 ARG A HH11 1 +ATOM 907 H HH12 . ARG A 1 53 ? -0.240 14.810 -0.899 1.00 20.62 ? 43 ARG A HH12 1 +ATOM 908 H HH21 . ARG A 1 53 ? 1.393 12.993 -3.108 1.00 19.69 ? 43 ARG A HH21 1 +ATOM 909 H HH22 . ARG A 1 53 ? 0.991 13.059 -1.675 1.00 19.69 ? 43 ARG A HH22 1 +ATOM 910 N N . ARG A 1 54 ? 2.628 17.821 -2.959 1.00 15.34 ? 44 ARG A N 1 +ATOM 911 C CA . ARG A 1 54 ? 2.494 17.939 -1.507 1.00 16.73 ? 44 ARG A CA 1 +ATOM 912 C C . ARG A 1 54 ? 2.653 19.384 -1.063 1.00 18.65 ? 44 ARG A C 1 +ATOM 913 O O . ARG A 1 54 ? 1.925 19.849 -0.173 1.00 20.75 ? 44 ARG A O 1 +ATOM 914 C CB . ARG A 1 54 ? 3.568 17.082 -0.859 1.00 18.28 ? 44 ARG A CB 1 +ATOM 915 C CG . ARG A 1 54 ? 3.325 15.587 -0.936 1.00 17.16 ? 44 ARG A CG 1 +ATOM 916 C CD . ARG A 1 54 ? 4.542 14.812 -0.555 1.00 20.11 ? 44 ARG A CD 1 +ATOM 917 N NE . ARG A 1 54 ? 4.378 13.385 -0.688 1.00 22.23 ? 44 ARG A NE 1 +ATOM 918 C CZ . ARG A 1 54 ? 3.863 12.570 0.204 0.89 26.85 ? 44 ARG A CZ 1 +ATOM 919 N NH1 . ARG A 1 54 ? 3.474 13.031 1.403 0.70 23.89 ? 44 ARG A NH1 1 +ATOM 920 N NH2 . ARG A 1 54 ? 3.802 11.268 -0.054 0.73 26.78 ? 44 ARG A NH2 1 +ATOM 921 H H . ARG A 1 54 ? 3.222 17.259 -3.227 1.00 18.40 ? 44 ARG A H 1 +ATOM 922 H HA . ARG A 1 54 ? 1.618 17.630 -1.228 1.00 20.07 ? 44 ARG A HA 1 +ATOM 923 H HB2 . ARG A 1 54 ? 4.413 17.263 -1.300 1.00 21.93 ? 44 ARG A HB2 1 +ATOM 924 H HB3 . ARG A 1 54 ? 3.626 17.320 0.080 1.00 21.93 ? 44 ARG A HB3 1 +ATOM 925 H HG2 . ARG A 1 54 ? 2.608 15.346 -0.329 1.00 20.59 ? 44 ARG A HG2 1 +ATOM 926 H HG3 . ARG A 1 54 ? 3.084 15.347 -1.845 1.00 20.59 ? 44 ARG A HG3 1 +ATOM 927 H HD2 . ARG A 1 54 ? 5.277 15.081 -1.127 1.00 24.13 ? 44 ARG A HD2 1 +ATOM 928 H HD3 . ARG A 1 54 ? 4.756 15.001 0.372 1.00 24.13 ? 44 ARG A HD3 1 +ATOM 929 H HE . ARG A 1 54 ? 4.645 13.033 -1.425 1.00 26.68 ? 44 ARG A HE 1 +ATOM 930 H HH11 . ARG A 1 54 ? 3.560 13.865 1.592 0.81 28.67 ? 44 ARG A HH11 1 +ATOM 931 H HH12 . ARG A 1 54 ? 3.137 12.492 1.982 0.81 28.67 ? 44 ARG A HH12 1 +ATOM 932 H HH21 . ARG A 1 54 ? 4.099 10.964 -0.801 0.75 32.13 ? 44 ARG A HH21 1 +ATOM 933 H HH22 . ARG A 1 54 ? 3.466 10.730 0.527 0.72 32.13 ? 44 ARG A HH22 1 +ATOM 934 N N . LYS A 1 55 ? 3.641 20.093 -1.582 1.00 17.59 ? 45 LYS A N 1 +ATOM 935 C CA . LYS A 1 55 ? 3.943 21.425 -1.109 1.00 19.63 ? 45 LYS A CA 1 +ATOM 936 C C . LYS A 1 55 ? 2.903 22.446 -1.506 1.00 17.14 ? 45 LYS A C 1 +ATOM 937 O O . LYS A 1 55 ? 2.642 23.378 -0.746 1.00 20.76 ? 45 LYS A O 1 +ATOM 938 C CB . LYS A 1 55 ? 5.340 21.769 -1.556 1.00 21.86 ? 45 LYS A CB 1 +ATOM 939 C CG . LYS A 1 55 ? 6.356 20.861 -0.881 1.00 22.37 ? 45 LYS A CG 1 +ATOM 940 C CD . LYS A 1 55 ? 7.779 21.328 -1.200 1.00 29.14 ? 45 LYS A CD 1 +ATOM 941 C CE . LYS A 1 55 ? 8.863 20.430 -0.500 1.00 25.72 ? 45 LYS A CE 1 +ATOM 942 N NZ . LYS A 1 55 ? 10.166 20.911 -0.707 1.00 29.81 ? 45 LYS A NZ 1 +ATOM 943 H H . LYS A 1 55 ? 4.156 19.821 -2.215 1.00 21.11 ? 45 LYS A H 1 +ATOM 944 H HA . LYS A 1 55 ? 3.926 21.450 -0.139 1.00 23.55 ? 45 LYS A HA 1 +ATOM 945 H HB2 . LYS A 1 55 ? 5.411 21.652 -2.516 1.00 26.24 ? 45 LYS A HB2 1 +ATOM 946 H HB3 . LYS A 1 55 ? 5.539 22.688 -1.317 1.00 26.24 ? 45 LYS A HB3 1 +ATOM 947 H HG2 . LYS A 1 55 ? 6.230 20.889 0.081 1.00 26.85 ? 45 LYS A HG2 1 +ATOM 948 H HG3 . LYS A 1 55 ? 6.248 19.953 -1.204 1.00 26.85 ? 45 LYS A HG3 1 +ATOM 949 H HD2 . LYS A 1 55 ? 7.922 21.284 -2.159 1.00 34.96 ? 45 LYS A HD2 1 +ATOM 950 H HD3 . LYS A 1 55 ? 7.894 22.240 -0.890 1.00 34.96 ? 45 LYS A HD3 1 +ATOM 951 H HE2 . LYS A 1 55 ? 8.695 20.414 0.456 1.00 30.87 ? 45 LYS A HE2 1 +ATOM 952 H HE3 . LYS A 1 55 ? 8.813 19.530 -0.860 1.00 30.87 ? 45 LYS A HE3 1 +ATOM 953 H HZ1 . LYS A 1 55 ? 10.754 20.381 -0.302 1.00 35.78 ? 45 LYS A HZ1 1 +ATOM 954 H HZ2 . LYS A 1 55 ? 10.347 20.932 -1.578 1.00 35.78 ? 45 LYS A HZ2 1 +ATOM 955 H HZ3 . LYS A 1 55 ? 10.242 21.734 -0.376 1.00 35.78 ? 45 LYS A HZ3 1 +ATOM 956 N N . TYR A 1 56 ? 2.337 22.364 -2.724 1.00 16.69 ? 46 TYR A N 1 +ATOM 957 C CA . TYR A 1 56 ? 1.540 23.458 -3.241 1.00 18.52 ? 46 TYR A CA 1 +ATOM 958 C C . TYR A 1 56 ? 0.057 23.194 -3.351 1.00 17.69 ? 46 TYR A C 1 +ATOM 959 O O . TYR A 1 56 ? -0.684 24.152 -3.441 1.00 20.41 ? 46 TYR A O 1 +ATOM 960 C CB . TYR A 1 56 ? 2.123 23.965 -4.576 1.00 17.94 ? 46 TYR A CB 1 +ATOM 961 C CG . TYR A 1 56 ? 3.490 24.570 -4.276 1.00 19.38 ? 46 TYR A CG 1 +ATOM 962 C CD1 . TYR A 1 56 ? 3.622 25.792 -3.647 1.00 20.13 ? 46 TYR A CD1 1 +ATOM 963 C CD2 . TYR A 1 56 ? 4.659 23.826 -4.494 1.00 20.97 ? 46 TYR A CD2 1 +ATOM 964 C CE1 . TYR A 1 56 ? 4.860 26.323 -3.295 1.00 25.17 ? 46 TYR A CE1 1 +ATOM 965 C CE2 . TYR A 1 56 ? 5.923 24.359 -4.105 1.00 22.79 ? 46 TYR A CE2 1 +ATOM 966 C CZ . TYR A 1 56 ? 6.003 25.587 -3.528 1.00 23.08 ? 46 TYR A CZ 1 +ATOM 967 O OH . TYR A 1 56 ? 7.240 26.077 -3.158 1.00 26.63 ? 46 TYR A OH 1 +ATOM 968 H H . TYR A 1 56 ? 2.408 21.689 -3.252 1.00 20.03 ? 46 TYR A H 1 +ATOM 969 H HA . TYR A 1 56 ? 1.603 24.198 -2.617 1.00 22.23 ? 46 TYR A HA 1 +ATOM 970 H HB2 . TYR A 1 56 ? 2.225 23.229 -5.199 1.00 21.53 ? 46 TYR A HB2 1 +ATOM 971 H HB3 . TYR A 1 56 ? 1.546 24.645 -4.958 1.00 21.53 ? 46 TYR A HB3 1 +ATOM 972 H HD1 . TYR A 1 56 ? 2.855 26.279 -3.451 1.00 24.16 ? 46 TYR A HD1 1 +ATOM 973 H HD2 . TYR A 1 56 ? 4.610 22.986 -4.892 1.00 25.16 ? 46 TYR A HD2 1 +ATOM 974 H HE1 . TYR A 1 56 ? 4.916 27.166 -2.906 1.00 30.20 ? 46 TYR A HE1 1 +ATOM 975 H HE2 . TYR A 1 56 ? 6.697 23.864 -4.248 1.00 27.35 ? 46 TYR A HE2 1 +ATOM 976 H HH . TYR A 1 56 ? 7.154 26.830 -2.796 1.00 31.96 ? 46 TYR A HH 1 +ATOM 977 N N . VAL A 1 57 ? -0.396 21.940 -3.340 1.00 17.59 ? 47 VAL A N 1 +ATOM 978 C CA . VAL A 1 57 ? -1.823 21.627 -3.249 1.00 16.90 ? 47 VAL A CA 1 +ATOM 979 C C . VAL A 1 57 ? -2.138 20.713 -2.077 1.00 17.01 ? 47 VAL A C 1 +ATOM 980 O O . VAL A 1 57 ? -3.325 20.439 -1.872 1.00 17.34 ? 47 VAL A O 1 +ATOM 981 C CB . VAL A 1 57 ? -2.417 21.084 -4.570 1.00 16.64 ? 47 VAL A CB 1 +ATOM 982 C CG1 . VAL A 1 57 ? -2.267 22.142 -5.707 1.00 16.02 ? 47 VAL A CG1 1 +ATOM 983 C CG2 . VAL A 1 57 ? -1.818 19.740 -4.971 1.00 15.98 ? 47 VAL A CG2 1 +ATOM 984 H H . VAL A 1 57 ? 0.109 21.246 -3.384 1.00 21.11 ? 47 VAL A H 1 +ATOM 985 H HA . VAL A 1 57 ? -2.298 22.459 -3.096 1.00 20.28 ? 47 VAL A HA 1 +ATOM 986 H HB . VAL A 1 57 ? -3.363 20.921 -4.426 1.00 19.96 ? 47 VAL A HB 1 +ATOM 987 H HG11 . VAL A 1 57 ? -2.693 21.805 -6.511 1.00 19.22 ? 47 VAL A HG11 1 +ATOM 988 H HG12 . VAL A 1 57 ? -2.692 22.968 -5.428 1.00 19.22 ? 47 VAL A HG12 1 +ATOM 989 H HG13 . VAL A 1 57 ? -1.323 22.295 -5.873 1.00 19.22 ? 47 VAL A HG13 1 +ATOM 990 H HG21 . VAL A 1 57 ? -2.200 19.465 -5.819 1.00 19.17 ? 47 VAL A HG21 1 +ATOM 991 H HG22 . VAL A 1 57 ? -0.857 19.836 -5.057 1.00 19.17 ? 47 VAL A HG22 1 +ATOM 992 H HG23 . VAL A 1 57 ? -2.025 19.085 -4.287 1.00 19.17 ? 47 VAL A HG23 1 +ATOM 993 N N . GLY A 1 58 ? -1.154 20.212 -1.353 1.00 17.86 ? 48 GLY A N 1 +ATOM 994 C CA . GLY A 1 58 ? -1.461 19.519 -0.109 1.00 19.29 ? 48 GLY A CA 1 +ATOM 995 C C . GLY A 1 58 ? -1.981 18.106 -0.333 1.00 17.95 ? 48 GLY A C 1 +ATOM 996 O O . GLY A 1 58 ? -1.860 17.511 -1.431 1.00 18.76 ? 48 GLY A O 1 +ATOM 997 H H . GLY A 1 58 ? -0.318 20.258 -1.551 1.00 21.43 ? 48 GLY A H 1 +ATOM 998 H HA2 . GLY A 1 58 ? -0.659 19.464 0.434 1.00 23.15 ? 48 GLY A HA2 1 +ATOM 999 H HA3 . GLY A 1 58 ? -2.137 20.017 0.376 1.00 23.15 ? 48 GLY A HA3 1 +ATOM 1000 N N . ASP A 1 59 ? -2.605 17.543 0.717 1.00 18.09 ? 49 ASP A N 1 +ATOM 1001 C CA A ASP A 1 59 ? -2.973 16.128 0.748 0.72 17.17 ? 49 ASP A CA 1 +ATOM 1002 C CA B ASP A 1 59 ? -2.954 16.130 0.692 0.28 21.98 ? 49 ASP A CA 1 +ATOM 1003 C C . ASP A 1 59 ? -4.424 15.867 0.409 1.00 18.12 ? 49 ASP A C 1 +ATOM 1004 O O . ASP A 1 59 ? -4.808 14.714 0.266 1.00 20.81 ? 49 ASP A O 1 +ATOM 1005 C CB A ASP A 1 59 ? -2.655 15.487 2.111 0.72 21.63 ? 49 ASP A CB 1 +ATOM 1006 C CB B ASP A 1 59 ? -2.460 15.398 1.927 0.28 40.47 ? 49 ASP A CB 1 +ATOM 1007 C CG A ASP A 1 59 ? -1.465 14.458 2.003 0.72 24.72 ? 49 ASP A CG 1 +ATOM 1008 C CG B ASP A 1 59 ? -3.345 15.585 3.078 0.28 32.72 ? 49 ASP A CG 1 +ATOM 1009 O OD1 A ASP A 1 59 ? -0.483 14.576 1.139 0.72 21.91 ? 49 ASP A OD1 1 +ATOM 1010 O OD1 B ASP A 1 59 ? -3.906 16.690 3.224 0.28 36.53 ? 49 ASP A OD1 1 +ATOM 1011 O OD2 A ASP A 1 59 ? -1.470 13.523 2.807 0.72 31.50 ? 49 ASP A OD2 1 +ATOM 1012 O OD2 B ASP A 1 59 ? -3.517 14.605 3.820 0.28 29.57 ? 49 ASP A OD2 1 +ATOM 1013 H H . ASP A 1 59 ? -2.825 17.973 1.429 1.00 21.71 ? 49 ASP A H 1 +ATOM 1014 H HA . ASP A 1 59 ? -2.426 15.680 0.085 1.00 26.38 ? 49 ASP A HA 1 +ATOM 1015 H HB2 A ASP A 1 59 ? -2.403 16.181 2.741 0.72 25.96 ? 49 ASP A HB2 1 +ATOM 1016 H HB2 B ASP A 1 59 ? -2.412 14.448 1.735 0.28 48.56 ? 49 ASP A HB2 1 +ATOM 1017 H HB3 A ASP A 1 59 ? -3.438 15.015 2.435 0.72 25.96 ? 49 ASP A HB3 1 +ATOM 1018 H HB3 B ASP A 1 59 ? -1.581 15.733 2.165 0.28 48.56 ? 49 ASP A HB3 1 +ATOM 1019 N N . GLU A 1 60 ? -5.258 16.914 0.246 1.00 16.54 ? 50 GLU A N 1 +ATOM 1020 C CA . GLU A 1 60 ? -6.657 16.700 -0.102 1.00 17.67 ? 50 GLU A CA 1 +ATOM 1021 C C . GLU A 1 60 ? -6.762 16.232 -1.546 1.00 17.52 ? 50 GLU A C 1 +ATOM 1022 O O . GLU A 1 60 ? -6.157 16.822 -2.452 1.00 16.70 ? 50 GLU A O 1 +ATOM 1023 C CB . GLU A 1 60 ? -7.465 18.003 0.094 1.00 18.44 ? 50 GLU A CB 1 +ATOM 1024 C CG . GLU A 1 60 ? -7.639 18.332 1.568 1.00 21.81 ? 50 GLU A CG 1 +ATOM 1025 C CD . GLU A 1 60 ? -8.324 19.639 1.930 1.00 38.42 ? 50 GLU A CD 1 +ATOM 1026 O OE1 . GLU A 1 60 ? -9.206 20.129 1.232 1.00 26.81 ? 50 GLU A OE1 1 +ATOM 1027 O OE2 . GLU A 1 60 ? -7.977 20.177 3.003 1.00 47.03 ? 50 GLU A OE2 1 +ATOM 1028 H H . GLU A 1 60 ? -5.033 17.739 0.332 1.00 19.85 ? 50 GLU A H 1 +ATOM 1029 H HA . GLU A 1 60 ? -7.035 16.020 0.477 1.00 21.20 ? 50 GLU A HA 1 +ATOM 1030 H HB2 . GLU A 1 60 ? -6.996 18.739 -0.330 1.00 22.13 ? 50 GLU A HB2 1 +ATOM 1031 H HB3 . GLU A 1 60 ? -8.344 17.898 -0.302 1.00 22.13 ? 50 GLU A HB3 1 +ATOM 1032 H HG2 . GLU A 1 60 ? -8.165 17.622 1.969 1.00 26.17 ? 50 GLU A HG2 1 +ATOM 1033 H HG3 . GLU A 1 60 ? -6.757 18.359 1.971 1.00 26.17 ? 50 GLU A HG3 1 +ATOM 1034 N N . VAL A 1 61 ? -7.552 15.188 -1.769 1.00 16.05 ? 51 VAL A N 1 +ATOM 1035 C CA . VAL A 1 61 ? -7.910 14.736 -3.122 1.00 15.57 ? 51 VAL A CA 1 +ATOM 1036 C C . VAL A 1 61 ? -9.352 15.161 -3.330 1.00 15.54 ? 51 VAL A C 1 +ATOM 1037 O O . VAL A 1 61 ? -10.256 14.697 -2.636 1.00 16.90 ? 51 VAL A O 1 +ATOM 1038 C CB . VAL A 1 61 ? -7.746 13.233 -3.285 1.00 15.31 ? 51 VAL A CB 1 +ATOM 1039 C CG1 . VAL A 1 61 ? -8.214 12.773 -4.652 1.00 15.40 ? 51 VAL A CG1 1 +ATOM 1040 C CG2 . VAL A 1 61 ? -6.288 12.856 -3.117 1.00 16.48 ? 51 VAL A CG2 1 +ATOM 1041 H H . VAL A 1 61 ? -7.903 14.712 -1.145 1.00 19.27 ? 51 VAL A H 1 +ATOM 1042 H HA . VAL A 1 61 ? -7.344 15.166 -3.782 1.00 18.68 ? 51 VAL A HA 1 +ATOM 1043 H HB . VAL A 1 61 ? -8.285 12.794 -2.608 1.00 18.37 ? 51 VAL A HB 1 +ATOM 1044 H HG11 . VAL A 1 61 ? -7.971 11.842 -4.773 1.00 18.49 ? 51 VAL A HG11 1 +ATOM 1045 H HG12 . VAL A 1 61 ? -9.178 12.873 -4.706 1.00 18.49 ? 51 VAL A HG12 1 +ATOM 1046 H HG13 . VAL A 1 61 ? -7.787 13.318 -5.332 1.00 18.49 ? 51 VAL A HG13 1 +ATOM 1047 H HG21 . VAL A 1 61 ? -6.193 11.899 -3.239 1.00 19.78 ? 51 VAL A HG21 1 +ATOM 1048 H HG22 . VAL A 1 61 ? -5.761 13.328 -3.781 1.00 19.78 ? 51 VAL A HG22 1 +ATOM 1049 H HG23 . VAL A 1 61 ? -5.997 13.106 -2.226 1.00 19.78 ? 51 VAL A HG23 1 +ATOM 1050 N N . HIS A 1 62 ? -9.570 16.114 -4.230 1.00 15.21 ? 52 HIS A N 1 +ATOM 1051 C CA . HIS A 1 62 ? -10.896 16.673 -4.453 1.00 15.01 ? 52 HIS A CA 1 +ATOM 1052 C C . HIS A 1 62 ? -11.749 15.764 -5.302 1.00 14.07 ? 52 HIS A C 1 +ATOM 1053 O O . HIS A 1 62 ? -11.274 15.264 -6.337 1.00 15.69 ? 52 HIS A O 1 +ATOM 1054 C CB . HIS A 1 62 ? -10.797 18.072 -5.051 1.00 14.57 ? 52 HIS A CB 1 +ATOM 1055 C CG . HIS A 1 62 ? -10.071 18.999 -4.143 1.00 15.99 ? 52 HIS A CG 1 +ATOM 1056 N ND1 . HIS A 1 62 ? -10.636 19.419 -2.972 1.00 17.59 ? 52 HIS A ND1 1 +ATOM 1057 C CD2 . HIS A 1 62 ? -8.804 19.463 -4.162 1.00 18.68 ? 52 HIS A CD2 1 +ATOM 1058 C CE1 . HIS A 1 62 ? -9.750 20.153 -2.314 1.00 18.36 ? 52 HIS A CE1 1 +ATOM 1059 N NE2 . HIS A 1 62 ? -8.634 20.193 -3.007 1.00 18.23 ? 52 HIS A NE2 1 +ATOM 1060 H H . HIS A 1 62 ? -8.960 16.457 -4.729 1.00 18.25 ? 52 HIS A H 1 +ATOM 1061 H HA . HIS A 1 62 ? -11.347 16.749 -3.598 1.00 18.02 ? 52 HIS A HA 1 +ATOM 1062 H HB2 . HIS A 1 62 ? -10.316 18.029 -5.892 1.00 17.49 ? 52 HIS A HB2 1 +ATOM 1063 H HB3 . HIS A 1 62 ? -11.689 18.423 -5.196 1.00 17.49 ? 52 HIS A HB3 1 +ATOM 1064 H HD1 . HIS A 1 62 ? -11.434 19.238 -2.707 1.00 21.10 ? 52 HIS A HD1 1 +ATOM 1065 H HD2 . HIS A 1 62 ? -8.169 19.319 -4.826 1.00 22.41 ? 52 HIS A HD2 1 +ATOM 1066 H HE1 . HIS A 1 62 ? -9.895 20.571 -1.496 1.00 22.03 ? 52 HIS A HE1 1 +ATOM 1067 N N . ILE A 1 63 ? -12.971 15.558 -4.915 1.00 14.57 ? 53 ILE A N 1 +ATOM 1068 C CA . ILE A 1 63 ? -13.892 14.681 -5.599 1.00 15.62 ? 53 ILE A CA 1 +ATOM 1069 C C . ILE A 1 63 ? -14.814 15.516 -6.456 1.00 14.65 ? 53 ILE A C 1 +ATOM 1070 O O . ILE A 1 63 ? -15.549 16.372 -5.956 1.00 15.42 ? 53 ILE A O 1 +ATOM 1071 C CB . ILE A 1 63 ? -14.677 13.834 -4.590 1.00 16.65 ? 53 ILE A CB 1 +ATOM 1072 C CG1 . ILE A 1 63 ? -13.721 12.902 -3.859 1.00 18.43 ? 53 ILE A CG1 1 +ATOM 1073 C CG2 . ILE A 1 63 ? -15.783 13.060 -5.306 1.00 18.74 ? 53 ILE A CG2 1 +ATOM 1074 C CD1 . ILE A 1 63 ? -14.348 12.183 -2.660 1.00 23.70 ? 53 ILE A CD1 1 +ATOM 1075 H H . ILE A 1 63 ? -13.317 15.932 -4.223 1.00 17.49 ? 53 ILE A H 1 +ATOM 1076 H HA . ILE A 1 63 ? -13.401 14.090 -6.192 1.00 18.75 ? 53 ILE A HA 1 +ATOM 1077 H HB . ILE A 1 63 ? -15.097 14.412 -3.934 1.00 19.98 ? 53 ILE A HB 1 +ATOM 1078 H HG12 . ILE A 1 63 ? -13.411 12.224 -4.480 1.00 22.12 ? 53 ILE A HG12 1 +ATOM 1079 H HG13 . ILE A 1 63 ? -12.969 13.420 -3.532 1.00 22.12 ? 53 ILE A HG13 1 +ATOM 1080 H HG21 . ILE A 1 63 ? -16.112 12.362 -4.718 1.00 22.49 ? 53 ILE A HG21 1 +ATOM 1081 H HG22 . ILE A 1 63 ? -16.503 13.671 -5.529 1.00 22.49 ? 53 ILE A HG22 1 +ATOM 1082 H HG23 . ILE A 1 63 ? -15.421 12.667 -6.116 1.00 22.49 ? 53 ILE A HG23 1 +ATOM 1083 H HD11 . ILE A 1 63 ? -13.647 11.741 -2.156 1.00 28.45 ? 53 ILE A HD11 1 +ATOM 1084 H HD12 . ILE A 1 63 ? -14.797 12.835 -2.101 1.00 28.45 ? 53 ILE A HD12 1 +ATOM 1085 H HD13 . ILE A 1 63 ? -14.987 11.528 -2.983 1.00 28.45 ? 53 ILE A HD13 1 +ATOM 1086 N N . ARG A 1 64 ? -14.864 15.233 -7.759 1.00 13.74 ? 54 ARG A N 1 +ATOM 1087 C CA . ARG A 1 64 ? -15.715 15.929 -8.706 1.00 14.06 ? 54 ARG A CA 1 +ATOM 1088 C C . ARG A 1 64 ? -16.631 14.865 -9.303 1.00 15.32 ? 54 ARG A C 1 +ATOM 1089 O O . ARG A 1 64 ? -16.172 14.059 -10.111 1.00 16.05 ? 54 ARG A O 1 +ATOM 1090 C CB . ARG A 1 64 ? -14.910 16.621 -9.811 1.00 14.22 ? 54 ARG A CB 1 +ATOM 1091 C CG . ARG A 1 64 ? -13.536 17.177 -9.427 1.00 14.19 ? 54 ARG A CG 1 +ATOM 1092 C CD . ARG A 1 64 ? -13.563 18.305 -8.535 1.00 15.96 ? 54 ARG A CD 1 +ATOM 1093 N NE . ARG A 1 64 ? -12.312 19.099 -8.562 1.00 14.64 ? 54 ARG A NE 1 +ATOM 1094 C CZ . ARG A 1 64 ? -12.036 20.079 -7.743 1.00 15.52 ? 54 ARG A CZ 1 +ATOM 1095 N NH1 . ARG A 1 64 ? -12.756 20.306 -6.682 1.00 16.26 ? 54 ARG A NH1 1 +ATOM 1096 N NH2 . ARG A 1 64 ? -10.973 20.848 -7.994 1.00 17.69 ? 54 ARG A NH2 1 +ATOM 1097 H H . ARG A 1 64 ? -14.392 14.615 -8.127 1.00 16.49 ? 54 ARG A H 1 +ATOM 1098 H HA . ARG A 1 64 ? -16.228 16.615 -8.250 1.00 16.87 ? 54 ARG A HA 1 +ATOM 1099 H HB2 . ARG A 1 64 ? -14.765 15.978 -10.522 1.00 17.06 ? 54 ARG A HB2 1 +ATOM 1100 H HB3 . ARG A 1 64 ? -15.434 17.368 -10.140 1.00 17.06 ? 54 ARG A HB3 1 +ATOM 1101 H HG2 . ARG A 1 64 ? -13.030 16.474 -8.990 1.00 17.03 ? 54 ARG A HG2 1 +ATOM 1102 H HG3 . ARG A 1 64 ? -13.081 17.458 -10.236 1.00 17.03 ? 54 ARG A HG3 1 +ATOM 1103 H HD2 . ARG A 1 64 ? -14.293 18.890 -8.791 1.00 19.15 ? 54 ARG A HD2 1 +ATOM 1104 H HD3 . ARG A 1 64 ? -13.694 17.986 -7.629 1.00 19.15 ? 54 ARG A HD3 1 +ATOM 1105 H HE . ARG A 1 64 ? -11.726 18.900 -9.159 1.00 17.57 ? 54 ARG A HE 1 +ATOM 1106 H HH11 . ARG A 1 64 ? -13.432 19.804 -6.505 1.00 19.52 ? 54 ARG A HH11 1 +ATOM 1107 H HH12 . ARG A 1 64 ? -12.556 20.957 -6.157 1.00 19.52 ? 54 ARG A HH12 1 +ATOM 1108 H HH21 . ARG A 1 64 ? -10.483 20.693 -8.684 1.00 21.23 ? 54 ARG A HH21 1 +ATOM 1109 H HH22 . ARG A 1 64 ? -10.777 21.497 -7.465 1.00 21.23 ? 54 ARG A HH22 1 +ATOM 1110 N N . ALA A 1 65 ? -17.913 14.844 -8.946 1.00 13.32 ? 55 ALA A N 1 +ATOM 1111 C CA . ALA A 1 65 ? -18.782 13.797 -9.436 1.00 12.77 ? 55 ALA A CA 1 +ATOM 1112 C C . ALA A 1 65 ? -19.308 14.164 -10.816 1.00 13.03 ? 55 ALA A C 1 +ATOM 1113 O O . ALA A 1 65 ? -19.921 15.212 -10.995 1.00 14.51 ? 55 ALA A O 1 +ATOM 1114 C CB . ALA A 1 65 ? -19.985 13.614 -8.513 1.00 14.49 ? 55 ALA A CB 1 +ATOM 1115 H H . ALA A 1 65 ? -18.290 15.418 -8.429 1.00 15.98 ? 55 ALA A H 1 +ATOM 1116 H HA . ALA A 1 65 ? -18.275 12.972 -9.477 1.00 15.32 ? 55 ALA A HA 1 +ATOM 1117 H HB1 . ALA A 1 65 ? -20.553 12.912 -8.868 1.00 17.39 ? 55 ALA A HB1 1 +ATOM 1118 H HB2 . ALA A 1 65 ? -19.671 13.369 -7.629 1.00 17.39 ? 55 ALA A HB2 1 +ATOM 1119 H HB3 . ALA A 1 65 ? -20.479 14.448 -8.469 1.00 17.39 ? 55 ALA A HB3 1 +ATOM 1120 N N . ILE A 1 66 ? -19.101 13.267 -11.784 1.00 12.92 ? 56 ILE A N 1 +ATOM 1121 C CA . ILE A 1 66 ? -19.465 13.543 -13.181 1.00 13.41 ? 56 ILE A CA 1 +ATOM 1122 C C . ILE A 1 66 ? -20.821 12.951 -13.497 1.00 13.42 ? 56 ILE A C 1 +ATOM 1123 O O . ILE A 1 66 ? -21.050 11.755 -13.264 1.00 15.24 ? 56 ILE A O 1 +ATOM 1124 C CB . ILE A 1 66 ? -18.462 12.963 -14.178 1.00 12.74 ? 56 ILE A CB 1 +ATOM 1125 C CG1 . ILE A 1 66 ? -17.015 13.342 -13.906 1.00 15.18 ? 56 ILE A CG1 1 +ATOM 1126 C CG2 . ILE A 1 66 ? -18.776 13.479 -15.609 1.00 15.31 ? 56 ILE A CG2 1 +ATOM 1127 C CD1 A ILE A 1 66 ? -16.062 12.470 -14.761 0.85 15.32 ? 56 ILE A CD1 1 +ATOM 1128 H H . ILE A 1 66 ? -18.751 12.491 -11.657 1.00 15.50 ? 56 ILE A H 1 +ATOM 1129 H HA . ILE A 1 66 ? -19.497 14.509 -13.261 1.00 16.09 ? 56 ILE A HA 1 +ATOM 1130 H HB . ILE A 1 66 ? -18.557 12.002 -14.085 1.00 15.29 ? 56 ILE A HB 1 +ATOM 1131 H HG12 A ILE A 1 66 ? -16.874 14.273 -14.136 0.85 18.21 ? 56 ILE A HG12 1 +ATOM 1132 H HG13 A ILE A 1 66 ? -16.812 13.197 -12.968 0.85 18.21 ? 56 ILE A HG13 1 +ATOM 1133 H HG21 . ILE A 1 66 ? -18.137 13.096 -16.230 1.00 18.37 ? 56 ILE A HG21 1 +ATOM 1134 H HG22 . ILE A 1 66 ? -19.676 13.209 -15.852 1.00 18.37 ? 56 ILE A HG22 1 +ATOM 1135 H HG23 . ILE A 1 66 ? -18.707 14.447 -15.618 1.00 18.37 ? 56 ILE A HG23 1 +ATOM 1136 H HD11 A ILE A 1 66 ? -15.307 12.200 -14.215 0.85 18.39 ? 56 ILE A HD11 1 +ATOM 1137 H HD12 A ILE A 1 66 ? -16.544 11.686 -15.070 0.85 18.39 ? 56 ILE A HD12 1 +ATOM 1138 H HD13 A ILE A 1 66 ? -15.754 12.989 -15.519 0.85 18.39 ? 56 ILE A HD13 1 +ATOM 1139 N N . ILE A 1 67 ? -21.702 13.758 -14.059 1.00 12.78 ? 57 ILE A N 1 +ATOM 1140 C CA . ILE A 1 67 ? -22.939 13.263 -14.644 1.00 12.95 ? 57 ILE A CA 1 +ATOM 1141 C C . ILE A 1 67 ? -22.849 13.529 -16.146 1.00 12.34 ? 57 ILE A C 1 +ATOM 1142 O O . ILE A 1 67 ? -22.806 14.680 -16.586 1.00 12.70 ? 57 ILE A O 1 +ATOM 1143 C CB . ILE A 1 67 ? -24.178 13.923 -14.024 1.00 13.42 ? 57 ILE A CB 1 +ATOM 1144 C CG1 . ILE A 1 67 ? -24.214 13.719 -12.525 1.00 14.60 ? 57 ILE A CG1 1 +ATOM 1145 C CG2 . ILE A 1 67 ? -25.457 13.381 -14.681 1.00 14.97 ? 57 ILE A CG2 1 +ATOM 1146 C CD1 . ILE A 1 67 ? -25.276 14.530 -11.811 1.00 16.10 ? 57 ILE A CD1 1 +ATOM 1147 H H . ILE A 1 67 ? -21.606 14.611 -14.116 1.00 15.33 ? 57 ILE A H 1 +ATOM 1148 H HA . ILE A 1 67 ? -23.012 12.306 -14.499 1.00 15.54 ? 57 ILE A HA 1 +ATOM 1149 H HB . ILE A 1 67 ? -24.124 14.877 -14.190 1.00 16.11 ? 57 ILE A HB 1 +ATOM 1150 H HG12 . ILE A 1 67 ? -24.390 12.782 -12.344 1.00 17.52 ? 57 ILE A HG12 1 +ATOM 1151 H HG13 . ILE A 1 67 ? -23.354 13.972 -12.156 1.00 17.52 ? 57 ILE A HG13 1 +ATOM 1152 H HG21 . ILE A 1 67 ? -26.228 13.792 -14.259 1.00 17.97 ? 57 ILE A HG21 1 +ATOM 1153 H HG22 . ILE A 1 67 ? -25.443 13.599 -15.626 1.00 17.97 ? 57 ILE A HG22 1 +ATOM 1154 H HG23 . ILE A 1 67 ? -25.489 12.419 -14.564 1.00 17.97 ? 57 ILE A HG23 1 +ATOM 1155 H HD11 . ILE A 1 67 ? -25.146 14.446 -10.853 1.00 19.32 ? 57 ILE A HD11 1 +ATOM 1156 H HD12 . ILE A 1 67 ? -25.195 15.459 -12.076 1.00 19.32 ? 57 ILE A HD12 1 +ATOM 1157 H HD13 . ILE A 1 67 ? -26.151 14.191 -12.057 1.00 19.32 ? 57 ILE A HD13 1 +ATOM 1158 N N . GLU A 1 68 ? -22.798 12.428 -16.918 1.00 12.47 ? 58 GLU A N 1 +ATOM 1159 C CA . GLU A 1 68 ? -22.657 12.474 -18.382 1.00 12.62 ? 58 GLU A CA 1 +ATOM 1160 C C . GLU A 1 68 ? -24.074 12.393 -18.906 1.00 13.28 ? 58 GLU A C 1 +ATOM 1161 O O . GLU A 1 68 ? -24.660 11.313 -19.023 1.00 14.30 ? 58 GLU A O 1 +ATOM 1162 C CB . GLU A 1 68 ? -21.792 11.303 -18.837 1.00 13.32 ? 58 GLU A CB 1 +ATOM 1163 C CG . GLU A 1 68 ? -20.412 11.298 -18.230 1.00 14.90 ? 58 GLU A CG 1 +ATOM 1164 C CD . GLU A 1 68 ? -19.738 9.951 -18.162 1.00 17.79 ? 58 GLU A CD 1 +ATOM 1165 O OE1 . GLU A 1 68 ? -20.491 8.966 -17.981 1.00 19.87 ? 58 GLU A OE1 1 +ATOM 1166 O OE2 . GLU A 1 68 ? -18.487 9.944 -18.049 1.00 18.94 ? 58 GLU A OE2 1 +ATOM 1167 H H . GLU A 1 68 ? -22.844 11.627 -16.608 1.00 14.96 ? 58 GLU A H 1 +ATOM 1168 H HA . GLU A 1 68 ? -22.239 13.291 -18.696 1.00 15.15 ? 58 GLU A HA 1 +ATOM 1169 H HB2 . GLU A 1 68 ? -22.230 10.475 -18.586 1.00 15.98 ? 58 GLU A HB2 1 +ATOM 1170 H HB3 . GLU A 1 68 ? -21.692 11.346 -19.801 1.00 15.98 ? 58 GLU A HB3 1 +ATOM 1171 H HG2 . GLU A 1 68 ? -19.843 11.879 -18.760 1.00 17.88 ? 58 GLU A HG2 1 +ATOM 1172 H HG3 . GLU A 1 68 ? -20.476 11.635 -17.323 1.00 17.88 ? 58 GLU A HG3 1 +ATOM 1173 N N . PHE A 1 69 ? -24.691 13.545 -19.114 1.00 13.59 ? 59 PHE A N 1 +ATOM 1174 C CA . PHE A 1 69 ? -26.146 13.591 -19.161 1.00 13.32 ? 59 PHE A CA 1 +ATOM 1175 C C . PHE A 1 69 ? -26.756 13.395 -20.548 1.00 14.80 ? 59 PHE A C 1 +ATOM 1176 O O . PHE A 1 69 ? -27.969 13.260 -20.668 1.00 14.31 ? 59 PHE A O 1 +ATOM 1177 C CB . PHE A 1 69 ? -26.647 14.897 -18.494 1.00 13.66 ? 59 PHE A CB 1 +ATOM 1178 C CG . PHE A 1 69 ? -26.210 16.139 -19.191 1.00 13.82 ? 59 PHE A CG 1 +ATOM 1179 C CD1 . PHE A 1 69 ? -26.938 16.651 -20.262 1.00 14.13 ? 59 PHE A CD1 1 +ATOM 1180 C CD2 . PHE A 1 69 ? -25.066 16.807 -18.809 1.00 14.64 ? 59 PHE A CD2 1 +ATOM 1181 C CE1 . PHE A 1 69 ? -26.536 17.782 -20.910 1.00 14.31 ? 59 PHE A CE1 1 +ATOM 1182 C CE2 . PHE A 1 69 ? -24.620 17.961 -19.457 1.00 13.27 ? 59 PHE A CE2 1 +ATOM 1183 C CZ . PHE A 1 69 ? -25.381 18.430 -20.536 1.00 14.08 ? 59 PHE A CZ 1 +ATOM 1184 H H . PHE A 1 69 ? -24.298 14.301 -19.230 1.00 16.31 ? 59 PHE A H 1 +ATOM 1185 H HA . PHE A 1 69 ? -26.492 12.850 -18.639 1.00 15.99 ? 59 PHE A HA 1 +ATOM 1186 H HB2 . PHE A 1 69 ? -27.617 14.890 -18.486 1.00 16.39 ? 59 PHE A HB2 1 +ATOM 1187 H HB3 . PHE A 1 69 ? -26.308 14.933 -17.586 1.00 16.39 ? 59 PHE A HB3 1 +ATOM 1188 H HD1 . PHE A 1 69 ? -27.710 16.214 -20.540 1.00 16.96 ? 59 PHE A HD1 1 +ATOM 1189 H HD2 . PHE A 1 69 ? -24.572 16.477 -18.093 1.00 17.57 ? 59 PHE A HD2 1 +ATOM 1190 H HE1 . PHE A 1 69 ? -27.047 18.118 -21.610 1.00 17.18 ? 59 PHE A HE1 1 +ATOM 1191 H HE2 . PHE A 1 69 ? -23.849 18.402 -19.183 1.00 15.93 ? 59 PHE A HE2 1 +ATOM 1192 H HZ . PHE A 1 69 ? -25.104 19.184 -21.004 1.00 16.90 ? 59 PHE A HZ 1 +ATOM 1193 N N . SER A 1 70 ? -25.925 13.436 -21.582 1.00 13.09 ? 60 SER A N 1 +ATOM 1194 C CA . SER A 1 70 ? -26.361 13.144 -22.946 1.00 13.30 ? 60 SER A CA 1 +ATOM 1195 C C . SER A 1 70 ? -25.158 12.637 -23.702 1.00 12.50 ? 60 SER A C 1 +ATOM 1196 O O . SER A 1 70 ? -24.081 13.193 -23.580 1.00 13.47 ? 60 SER A O 1 +ATOM 1197 C CB . SER A 1 70 ? -26.885 14.432 -23.590 1.00 14.06 ? 60 SER A CB 1 +ATOM 1198 O OG . SER A 1 70 ? -27.043 14.124 -25.006 1.00 14.73 ? 60 SER A OG 1 +ATOM 1199 H H . SER A 1 70 ? -25.090 13.632 -21.522 1.00 15.70 ? 60 SER A H 1 +ATOM 1200 H HA . SER A 1 70 ? -27.055 12.467 -22.972 1.00 15.96 ? 60 SER A HA 1 +ATOM 1201 H HB2 . SER A 1 70 ? -27.739 14.679 -23.202 1.00 16.87 ? 60 SER A HB2 1 +ATOM 1202 H HB3 . SER A 1 70 ? -26.246 15.152 -23.472 1.00 16.87 ? 60 SER A HB3 1 +ATOM 1203 H HG . SER A 1 70 ? -27.364 14.787 -25.409 1.00 17.68 ? 60 SER A HG 1 +ATOM 1204 N N . ASN A 1 71 ? -25.354 11.615 -24.537 1.00 13.69 ? 61 ASN A N 1 +ATOM 1205 C CA . ASN A 1 71 ? -24.301 11.149 -25.432 1.00 13.71 ? 61 ASN A CA 1 +ATOM 1206 C C . ASN A 1 71 ? -24.580 11.547 -26.874 1.00 14.61 ? 61 ASN A C 1 +ATOM 1207 O O . ASN A 1 71 ? -23.942 10.982 -27.778 1.00 15.31 ? 61 ASN A O 1 +ATOM 1208 C CB . ASN A 1 71 ? -24.052 9.647 -25.319 1.00 14.01 ? 61 ASN A CB 1 +ATOM 1209 C CG . ASN A 1 71 ? -25.134 8.824 -25.912 1.00 13.41 ? 61 ASN A CG 1 +ATOM 1210 O OD1 . ASN A 1 71 ? -26.190 9.329 -26.239 1.00 14.99 ? 61 ASN A OD1 1 +ATOM 1211 N ND2 . ASN A 1 71 ? -24.938 7.504 -25.970 1.00 14.08 ? 61 ASN A ND2 1 +ATOM 1212 H H . ASN A 1 71 ? -26.091 11.176 -24.601 1.00 16.43 ? 61 ASN A H 1 +ATOM 1213 H HA . ASN A 1 71 ? -23.473 11.569 -25.150 1.00 16.45 ? 61 ASN A HA 1 +ATOM 1214 H HB2 . ASN A 1 71 ? -23.227 9.430 -25.781 1.00 16.81 ? 61 ASN A HB2 1 +ATOM 1215 H HB3 . ASN A 1 71 ? -23.979 9.410 -24.381 1.00 16.81 ? 61 ASN A HB3 1 +ATOM 1216 H HD21 . ASN A 1 71 ? -25.542 6.993 -26.307 1.00 16.89 ? 61 ASN A HD21 1 +ATOM 1217 H HD22 . ASN A 1 71 ? -24.206 7.164 -25.670 1.00 16.89 ? 61 ASN A HD22 1 +ATOM 1218 N N . VAL A 1 72 ? -25.455 12.516 -27.090 1.00 14.06 ? 62 VAL A N 1 +ATOM 1219 C CA . VAL A 1 72 ? -25.731 13.037 -28.434 1.00 13.63 ? 62 VAL A CA 1 +ATOM 1220 C C . VAL A 1 72 ? -24.651 14.054 -28.739 1.00 14.16 ? 62 VAL A C 1 +ATOM 1221 O O . VAL A 1 72 ? -24.392 14.973 -27.956 1.00 14.75 ? 62 VAL A O 1 +ATOM 1222 C CB . VAL A 1 72 ? -27.089 13.705 -28.427 1.00 15.04 ? 62 VAL A CB 1 +ATOM 1223 C CG1 . VAL A 1 72 ? -27.377 14.400 -29.763 1.00 15.76 ? 62 VAL A CG1 1 +ATOM 1224 C CG2 . VAL A 1 72 ? -28.182 12.690 -28.137 1.00 17.41 ? 62 VAL A CG2 1 +ATOM 1225 H H . VAL A 1 72 ? -25.912 12.900 -26.471 1.00 16.87 ? 62 VAL A H 1 +ATOM 1226 H HA . VAL A 1 72 ? -25.719 12.331 -29.099 1.00 16.35 ? 62 VAL A HA 1 +ATOM 1227 H HB . VAL A 1 72 ? -27.085 14.378 -27.729 1.00 18.04 ? 62 VAL A HB 1 +ATOM 1228 H HG11 . VAL A 1 72 ? -28.306 14.677 -29.780 1.00 18.92 ? 62 VAL A HG11 1 +ATOM 1229 H HG12 . VAL A 1 72 ? -26.799 15.174 -29.847 1.00 18.92 ? 62 VAL A HG12 1 +ATOM 1230 H HG13 . VAL A 1 72 ? -27.203 13.777 -30.486 1.00 18.92 ? 62 VAL A HG13 1 +ATOM 1231 H HG21 . VAL A 1 72 ? -29.046 13.108 -28.280 1.00 20.89 ? 62 VAL A HG21 1 +ATOM 1232 H HG22 . VAL A 1 72 ? -28.078 11.934 -28.735 1.00 20.89 ? 62 VAL A HG22 1 +ATOM 1233 H HG23 . VAL A 1 72 ? -28.104 12.397 -27.216 1.00 20.89 ? 62 VAL A HG23 1 +ATOM 1234 N N . CYS A 1 73 ? -24.050 13.958 -29.939 1.00 14.41 ? 63 CYS A N 1 +ATOM 1235 C CA . CYS A 1 73 ? -23.058 14.927 -30.335 1.00 15.16 ? 63 CYS A CA 1 +ATOM 1236 C C . CYS A 1 73 ? -23.191 15.293 -31.811 1.00 14.66 ? 63 CYS A C 1 +ATOM 1237 O O . CYS A 1 73 ? -23.315 14.421 -32.684 1.00 15.26 ? 63 CYS A O 1 +ATOM 1238 C CB . CYS A 1 73 ? -21.603 14.453 -30.095 1.00 15.02 ? 63 CYS A CB 1 +ATOM 1239 S SG . CYS A 1 73 ? -20.438 15.815 -30.213 1.00 14.48 ? 63 CYS A SG 1 +ATOM 1240 H H . CYS A 1 73 ? -24.209 13.344 -30.519 1.00 17.30 ? 63 CYS A H 1 +ATOM 1241 H HA . CYS A 1 73 ? -23.228 15.717 -29.799 1.00 18.20 ? 63 CYS A HA 1 +ATOM 1242 H HB2 . CYS A 1 73 ? -21.535 14.067 -29.207 1.00 18.03 ? 63 CYS A HB2 1 +ATOM 1243 H HB3 . CYS A 1 73 ? -21.368 13.790 -30.763 1.00 18.03 ? 63 CYS A HB3 1 +ATOM 1244 N N . ARG A 1 74 ? -23.110 16.590 -32.083 1.00 14.80 ? 64 ARG A N 1 +ATOM 1245 C CA . ARG A 1 74 ? -23.112 17.116 -33.441 1.00 14.81 ? 64 ARG A CA 1 +ATOM 1246 C C . ARG A 1 74 ? -21.765 17.000 -34.127 1.00 14.23 ? 64 ARG A C 1 +ATOM 1247 O O . ARG A 1 74 ? -21.734 17.159 -35.365 1.00 15.88 ? 64 ARG A O 1 +ATOM 1248 C CB . ARG A 1 74 ? -23.569 18.578 -33.425 1.00 15.63 ? 64 ARG A CB 1 +ATOM 1249 C CG . ARG A 1 74 ? -22.613 19.534 -32.785 1.00 15.45 ? 64 ARG A CG 1 +ATOM 1250 C CD . ARG A 1 74 ? -23.148 20.904 -32.679 1.00 16.92 ? 64 ARG A CD 1 +ATOM 1251 N NE . ARG A 1 74 ? -22.250 21.772 -31.947 1.00 16.51 ? 64 ARG A NE 1 +ATOM 1252 C CZ . ARG A 1 74 ? -22.364 23.092 -31.867 1.00 19.43 ? 64 ARG A CZ 1 +ATOM 1253 N NH1 . ARG A 1 74 ? -23.370 23.744 -32.489 1.00 21.87 ? 64 ARG A NH1 1 +ATOM 1254 N NH2 . ARG A 1 74 ? -21.430 23.778 -31.212 1.00 19.85 ? 64 ARG A NH2 1 +ATOM 1255 H H . ARG A 1 74 ? -23.053 17.203 -31.482 1.00 17.76 ? 64 ARG A H 1 +ATOM 1256 H HA . ARG A 1 74 ? -23.746 16.611 -33.973 1.00 17.78 ? 64 ARG A HA 1 +ATOM 1257 H HB2 . ARG A 1 74 ? -23.699 18.868 -34.342 1.00 18.75 ? 64 ARG A HB2 1 +ATOM 1258 H HB3 . ARG A 1 74 ? -24.405 18.632 -32.937 1.00 18.75 ? 64 ARG A HB3 1 +ATOM 1259 H HG2 . ARG A 1 74 ? -22.410 19.224 -31.888 1.00 18.54 ? 64 ARG A HG2 1 +ATOM 1260 H HG3 . ARG A 1 74 ? -21.801 19.571 -33.314 1.00 18.54 ? 64 ARG A HG3 1 +ATOM 1261 H HD2 . ARG A 1 74 ? -23.268 21.271 -33.569 1.00 20.30 ? 64 ARG A HD2 1 +ATOM 1262 H HD3 . ARG A 1 74 ? -23.998 20.881 -32.213 1.00 20.30 ? 64 ARG A HD3 1 +ATOM 1263 H HE . ARG A 1 74 ? -21.592 21.405 -31.532 1.00 19.81 ? 64 ARG A HE 1 +ATOM 1264 H HH11 . ARG A 1 74 ? -23.950 23.304 -32.946 1.00 26.24 ? 64 ARG A HH11 1 +ATOM 1265 H HH12 . ARG A 1 74 ? -23.430 24.600 -32.427 1.00 26.24 ? 64 ARG A HH12 1 +ATOM 1266 H HH21 . ARG A 1 74 ? -20.769 23.365 -30.849 1.00 23.83 ? 64 ARG A HH21 1 +ATOM 1267 H HH22 . ARG A 1 74 ? -21.489 24.633 -31.150 1.00 23.83 ? 64 ARG A HH22 1 +ATOM 1268 N N . LYS A 1 75 ? -20.685 16.745 -33.422 1.00 14.49 ? 65 LYS A N 1 +ATOM 1269 C CA . LYS A 1 75 ? -19.337 16.659 -33.993 1.00 15.88 ? 65 LYS A CA 1 +ATOM 1270 C C . LYS A 1 75 ? -18.981 15.206 -34.331 1.00 14.27 ? 65 LYS A C 1 +ATOM 1271 O O . LYS A 1 75 ? -19.759 14.266 -34.097 1.00 15.73 ? 65 LYS A O 1 +ATOM 1272 C CB . LYS A 1 75 ? -18.311 17.310 -33.064 1.00 15.35 ? 65 LYS A CB 1 +ATOM 1273 C CG . LYS A 1 75 ? -18.335 18.848 -33.196 1.00 16.35 ? 65 LYS A CG 1 +ATOM 1274 C CD . LYS A 1 75 ? -17.259 19.462 -32.282 1.00 16.49 ? 65 LYS A CD 1 +ATOM 1275 C CE . LYS A 1 75 ? -16.984 20.949 -32.582 1.00 17.47 ? 65 LYS A CE 1 +ATOM 1276 N NZ . LYS A 1 75 ? -18.213 21.791 -32.602 1.00 17.59 ? 65 LYS A NZ 1 +ATOM 1277 H H . LYS A 1 75 ? -20.695 16.612 -32.573 1.00 17.39 ? 65 LYS A H 1 +ATOM 1278 H HA . LYS A 1 75 ? -19.307 17.153 -34.827 1.00 19.06 ? 65 LYS A HA 1 +ATOM 1279 H HB2 . LYS A 1 75 ? -18.516 17.077 -32.145 1.00 18.42 ? 65 LYS A HB2 1 +ATOM 1280 H HB3 . LYS A 1 75 ? -17.423 16.996 -33.295 1.00 18.42 ? 65 LYS A HB3 1 +ATOM 1281 H HG2 . LYS A 1 75 ? -18.149 19.102 -34.113 1.00 19.62 ? 65 LYS A HG2 1 +ATOM 1282 H HG3 . LYS A 1 75 ? -19.204 19.187 -32.928 1.00 19.62 ? 65 LYS A HG3 1 +ATOM 1283 H HD2 . LYS A 1 75 ? -17.552 19.394 -31.360 1.00 19.78 ? 65 LYS A HD2 1 +ATOM 1284 H HD3 . LYS A 1 75 ? -16.428 18.976 -32.403 1.00 19.78 ? 65 LYS A HD3 1 +ATOM 1285 H HE2 . LYS A 1 75 ? -16.394 21.302 -31.898 1.00 20.97 ? 65 LYS A HE2 1 +ATOM 1286 H HE3 . LYS A 1 75 ? -16.563 21.020 -33.453 1.00 20.97 ? 65 LYS A HE3 1 +ATOM 1287 H HZ1 . LYS A 1 75 ? -18.001 22.635 -32.788 1.00 21.11 ? 65 LYS A HZ1 1 +ATOM 1288 H HZ2 . LYS A 1 75 ? -18.778 21.492 -33.221 1.00 21.11 ? 65 LYS A HZ2 1 +ATOM 1289 H HZ3 . LYS A 1 75 ? -18.614 21.763 -31.807 1.00 21.11 ? 65 LYS A HZ3 1 +ATOM 1290 N N . ASN A 1 76 ? -17.843 15.057 -34.982 1.00 15.29 ? 66 ASN A N 1 +ATOM 1291 C CA . ASN A 1 76 ? -17.449 13.775 -35.579 1.00 15.71 ? 66 ASN A CA 1 +ATOM 1292 C C . ASN A 1 76 ? -15.965 13.479 -35.321 1.00 14.93 ? 66 ASN A C 1 +ATOM 1293 O O . ASN A 1 76 ? -15.285 12.912 -36.193 1.00 15.97 ? 66 ASN A O 1 +ATOM 1294 C CB . ASN A 1 76 ? -17.732 13.816 -37.091 1.00 15.52 ? 66 ASN A CB 1 +ATOM 1295 C CG . ASN A 1 76 ? -18.064 12.449 -37.697 1.00 16.48 ? 66 ASN A CG 1 +ATOM 1296 O OD1 . ASN A 1 76 ? -18.525 11.543 -37.025 1.00 16.62 ? 66 ASN A OD1 1 +ATOM 1297 N ND2 . ASN A 1 76 ? -17.797 12.305 -38.977 1.00 18.35 ? 66 ASN A ND2 1 +ATOM 1298 H H . ASN A 1 76 ? -17.269 15.687 -35.098 1.00 18.34 ? 66 ASN A H 1 +ATOM 1299 H HA . ASN A 1 76 ? -17.955 13.058 -35.166 1.00 18.85 ? 66 ASN A HA 1 +ATOM 1300 H HB2 . ASN A 1 76 ? -18.488 14.402 -37.251 1.00 18.62 ? 66 ASN A HB2 1 +ATOM 1301 H HB3 . ASN A 1 76 ? -16.946 14.158 -37.546 1.00 18.62 ? 66 ASN A HB3 1 +ATOM 1302 H HD21 . ASN A 1 76 ? -17.963 11.558 -39.370 1.00 22.02 ? 66 ASN A HD21 1 +ATOM 1303 H HD22 . ASN A 1 76 ? -17.456 12.958 -39.421 1.00 22.02 ? 66 ASN A HD22 1 +ATOM 1304 N N . CYS A 1 77 ? -15.457 13.838 -34.140 1.00 14.33 ? 67 CYS A N 1 +ATOM 1305 C CA . CYS A 1 77 ? -14.054 13.619 -33.832 1.00 13.89 ? 67 CYS A CA 1 +ATOM 1306 C C . CYS A 1 77 ? -13.665 12.175 -34.108 1.00 14.31 ? 67 CYS A C 1 +ATOM 1307 O O . CYS A 1 77 ? -14.381 11.248 -33.721 1.00 15.41 ? 67 CYS A O 1 +ATOM 1308 C CB . CYS A 1 77 ? -13.769 13.993 -32.387 1.00 13.78 ? 67 CYS A CB 1 +ATOM 1309 S SG . CYS A 1 77 ? -14.334 15.672 -31.912 1.00 15.24 ? 67 CYS A SG 1 +ATOM 1310 H H . CYS A 1 77 ? -15.906 14.207 -33.506 1.00 17.19 ? 67 CYS A H 1 +ATOM 1311 H HA . CYS A 1 77 ? -13.505 14.186 -34.395 1.00 16.67 ? 67 CYS A HA 1 +ATOM 1312 H HB2 . CYS A 1 77 ? -14.219 13.358 -31.809 1.00 16.54 ? 67 CYS A HB2 1 +ATOM 1313 H HB3 . CYS A 1 77 ? -12.811 13.954 -32.241 1.00 16.54 ? 67 CYS A HB3 1 +ATOM 1314 N N . LEU A 1 78 ? -12.509 11.989 -34.738 1.00 14.47 ? 68 LEU A N 1 +ATOM 1315 C CA . LEU A 1 78 ? -12.139 10.668 -35.238 1.00 15.23 ? 68 LEU A CA 1 +ATOM 1316 C C . LEU A 1 78 ? -11.861 9.688 -34.124 1.00 15.30 ? 68 LEU A C 1 +ATOM 1317 O O . LEU A 1 78 ? -11.983 8.489 -34.319 1.00 15.55 ? 68 LEU A O 1 +ATOM 1318 C CB . LEU A 1 78 ? -10.916 10.730 -36.172 1.00 15.24 ? 68 LEU A CB 1 +ATOM 1319 C CG . LEU A 1 78 ? -11.251 10.982 -37.646 1.00 18.47 ? 68 LEU A CG 1 +ATOM 1320 C CD1 . LEU A 1 78 ? -11.939 12.314 -37.890 1.00 20.04 ? 68 LEU A CD1 1 +ATOM 1321 C CD2 . LEU A 1 78 ? -10.004 10.867 -38.518 1.00 18.49 ? 68 LEU A CD2 1 +ATOM 1322 H H . LEU A 1 78 ? -11.927 12.603 -34.889 1.00 17.37 ? 68 LEU A H 1 +ATOM 1323 H HA . LEU A 1 78 ? -12.894 10.348 -35.756 1.00 18.28 ? 68 LEU A HA 1 +ATOM 1324 H HB2 . LEU A 1 78 ? -10.339 11.450 -35.875 1.00 18.29 ? 68 LEU A HB2 1 +ATOM 1325 H HB3 . LEU A 1 78 ? -10.445 9.884 -36.119 1.00 18.29 ? 68 LEU A HB3 1 +ATOM 1326 H HG . LEU A 1 78 ? -11.885 10.295 -37.906 1.00 22.16 ? 68 LEU A HG 1 +ATOM 1327 H HD11 . LEU A 1 78 ? -12.120 12.407 -38.838 1.00 24.05 ? 68 LEU A HD11 1 +ATOM 1328 H HD12 . LEU A 1 78 ? -12.770 12.337 -37.390 1.00 24.05 ? 68 LEU A HD12 1 +ATOM 1329 H HD13 . LEU A 1 78 ? -11.355 13.030 -37.593 1.00 24.05 ? 68 LEU A HD13 1 +ATOM 1330 H HD21 . LEU A 1 78 ? -10.252 11.015 -39.444 1.00 22.19 ? 68 LEU A HD21 1 +ATOM 1331 H HD22 . LEU A 1 78 ? -9.360 11.535 -38.237 1.00 22.19 ? 68 LEU A HD22 1 +ATOM 1332 H HD23 . LEU A 1 78 ? -9.627 9.979 -38.414 1.00 22.19 ? 68 LEU A HD23 1 +ATOM 1333 N N . TYR A 1 79 ? -11.476 10.172 -32.961 1.00 14.81 ? 69 TYR A N 1 +ATOM 1334 C CA . TYR A 1 79 ? -11.120 9.296 -31.835 1.00 14.20 ? 69 TYR A CA 1 +ATOM 1335 C C . TYR A 1 79 ? -12.317 8.868 -31.001 1.00 14.35 ? 69 TYR A C 1 +ATOM 1336 O O . TYR A 1 79 ? -12.185 7.929 -30.166 1.00 14.68 ? 69 TYR A O 1 +ATOM 1337 C CB . TYR A 1 79 ? -10.050 9.971 -30.967 1.00 14.19 ? 69 TYR A CB 1 +ATOM 1338 C CG . TYR A 1 79 ? -10.389 11.418 -30.619 1.00 13.33 ? 69 TYR A CG 1 +ATOM 1339 C CD1 . TYR A 1 79 ? -11.264 11.756 -29.596 1.00 14.16 ? 69 TYR A CD1 1 +ATOM 1340 C CD2 . TYR A 1 79 ? -9.779 12.463 -31.305 1.00 13.87 ? 69 TYR A CD2 1 +ATOM 1341 C CE1 . TYR A 1 79 ? -11.557 13.099 -29.308 1.00 13.38 ? 69 TYR A CE1 1 +ATOM 1342 C CE2 . TYR A 1 79 ? -10.066 13.749 -31.021 1.00 15.10 ? 69 TYR A CE2 1 +ATOM 1343 C CZ . TYR A 1 79 ? -10.934 14.087 -30.037 1.00 14.55 ? 69 TYR A CZ 1 +ATOM 1344 O OH . TYR A 1 79 ? -11.175 15.447 -29.804 1.00 16.65 ? 69 TYR A OH 1 +ATOM 1345 H H . TYR A 1 79 ? -11.409 11.011 -32.785 1.00 17.78 ? 69 TYR A H 1 +ATOM 1346 H HA . TYR A 1 79 ? -10.726 8.478 -32.176 1.00 17.04 ? 69 TYR A HA 1 +ATOM 1347 H HB2 . TYR A 1 79 ? -9.960 9.477 -30.137 1.00 17.03 ? 69 TYR A HB2 1 +ATOM 1348 H HB3 . TYR A 1 79 ? -9.208 9.969 -31.448 1.00 17.03 ? 69 TYR A HB3 1 +ATOM 1349 H HD1 . TYR A 1 79 ? -11.663 11.083 -29.093 1.00 16.99 ? 69 TYR A HD1 1 +ATOM 1350 H HD2 . TYR A 1 79 ? -9.161 12.271 -31.974 1.00 16.64 ? 69 TYR A HD2 1 +ATOM 1351 H HE1 . TYR A 1 79 ? -12.162 13.318 -28.636 1.00 16.05 ? 69 TYR A HE1 1 +ATOM 1352 H HE2 . TYR A 1 79 ? -9.656 14.423 -31.513 1.00 18.12 ? 69 TYR A HE2 1 +ATOM 1353 H HH . TYR A 1 79 ? -11.772 15.537 -29.221 1.00 19.98 ? 69 TYR A HH 1 +ATOM 1354 N N . CYS A 1 80 ? -13.440 9.558 -31.052 1.00 13.93 ? 70 CYS A N 1 +ATOM 1355 C CA . CYS A 1 80 ? -14.444 9.474 -29.999 1.00 13.99 ? 70 CYS A CA 1 +ATOM 1356 C C . CYS A 1 80 ? -15.599 8.564 -30.367 1.00 12.82 ? 70 CYS A C 1 +ATOM 1357 O O . CYS A 1 80 ? -16.193 8.710 -31.427 1.00 14.65 ? 70 CYS A O 1 +ATOM 1358 C CB . CYS A 1 80 ? -14.962 10.878 -29.743 1.00 14.33 ? 70 CYS A CB 1 +ATOM 1359 S SG . CYS A 1 80 ? -16.178 10.968 -28.388 1.00 14.41 ? 70 CYS A SG 1 +ATOM 1360 H H . CYS A 1 80 ? -13.651 10.090 -31.694 1.00 16.72 ? 70 CYS A H 1 +ATOM 1361 H HA . CYS A 1 80 ? -14.046 9.085 -29.204 1.00 16.79 ? 70 CYS A HA 1 +ATOM 1362 H HB2 . CYS A 1 80 ? -14.213 11.450 -29.509 1.00 17.19 ? 70 CYS A HB2 1 +ATOM 1363 H HB3 . CYS A 1 80 ? -15.390 11.205 -30.549 1.00 17.19 ? 70 CYS A HB3 1 +ATOM 1364 N N . GLY A 1 81 ? -15.978 7.649 -29.451 1.00 13.51 ? 71 GLY A N 1 +ATOM 1365 C CA . GLY A 1 81 ? -17.103 6.788 -29.705 1.00 14.64 ? 71 GLY A CA 1 +ATOM 1366 C C . GLY A 1 81 ? -18.435 7.519 -29.861 1.00 14.03 ? 71 GLY A C 1 +ATOM 1367 O O . GLY A 1 81 ? -19.379 6.932 -30.411 1.00 16.44 ? 71 GLY A O 1 +ATOM 1368 H H . GLY A 1 81 ? -15.593 7.525 -28.692 1.00 16.21 ? 71 GLY A H 1 +ATOM 1369 H HA2 . GLY A 1 81 ? -16.939 6.291 -30.522 1.00 17.57 ? 71 GLY A HA2 1 +ATOM 1370 H HA3 . GLY A 1 81 ? -17.191 6.163 -28.968 1.00 17.57 ? 71 GLY A HA3 1 +ATOM 1371 N N . LEU A 1 82 ? -18.542 8.764 -29.372 1.00 13.94 ? 72 LEU A N 1 +ATOM 1372 C CA . LEU A 1 82 ? -19.793 9.497 -29.512 1.00 14.29 ? 72 LEU A CA 1 +ATOM 1373 C C . LEU A 1 82 ? -19.908 10.238 -30.829 1.00 14.57 ? 72 LEU A C 1 +ATOM 1374 O O . LEU A 1 82 ? -20.944 10.904 -31.084 1.00 15.22 ? 72 LEU A O 1 +ATOM 1375 C CB . LEU A 1 82 ? -20.003 10.504 -28.368 1.00 13.53 ? 72 LEU A CB 1 +ATOM 1376 C CG . LEU A 1 82 ? -19.868 9.926 -26.962 1.00 17.76 ? 72 LEU A CG 1 +ATOM 1377 C CD1 . LEU A 1 82 ? -20.347 10.991 -25.926 1.00 15.96 ? 72 LEU A CD1 1 +ATOM 1378 C CD2 . LEU A 1 82 ? -20.527 8.652 -26.782 1.00 20.61 ? 72 LEU A CD2 1 +ATOM 1379 H H . LEU A 1 82 ? -17.914 9.189 -28.965 1.00 16.73 ? 72 LEU A H 1 +ATOM 1380 H HA . LEU A 1 82 ? -20.505 8.841 -29.456 1.00 17.14 ? 72 LEU A HA 1 +ATOM 1381 H HB2 . LEU A 1 82 ? -19.343 11.209 -28.457 1.00 16.24 ? 72 LEU A HB2 1 +ATOM 1382 H HB3 . LEU A 1 82 ? -20.896 10.873 -28.446 1.00 16.24 ? 72 LEU A HB3 1 +ATOM 1383 H HG . LEU A 1 82 ? -18.932 9.724 -26.805 1.00 21.31 ? 72 LEU A HG 1 +ATOM 1384 H HD11 . LEU A 1 82 ? -20.244 10.631 -25.032 1.00 19.15 ? 72 LEU A HD11 1 +ATOM 1385 H HD12 . LEU A 1 82 ? -19.808 11.792 -26.024 1.00 19.15 ? 72 LEU A HD12 1 +ATOM 1386 H HD13 . LEU A 1 82 ? -21.279 11.198 -26.094 1.00 19.15 ? 72 LEU A HD13 1 +ATOM 1387 H HD21 . LEU A 1 82 ? -20.551 8.439 -25.836 1.00 24.73 ? 72 LEU A HD21 1 +ATOM 1388 H HD22 . LEU A 1 82 ? -21.431 8.712 -27.130 1.00 24.73 ? 72 LEU A HD22 1 +ATOM 1389 H HD23 . LEU A 1 82 ? -20.032 7.970 -27.263 1.00 24.73 ? 72 LEU A HD23 1 +ATOM 1390 N N . ARG A 1 83 ? -18.894 10.175 -31.672 1.00 13.87 ? 73 ARG A N 1 +ATOM 1391 C CA . ARG A 1 83 ? -18.962 10.878 -32.945 1.00 14.47 ? 73 ARG A CA 1 +ATOM 1392 C C . ARG A 1 83 ? -20.258 10.555 -33.666 1.00 15.01 ? 73 ARG A C 1 +ATOM 1393 O O . ARG A 1 83 ? -20.778 9.445 -33.618 1.00 15.17 ? 73 ARG A O 1 +ATOM 1394 C CB . ARG A 1 83 ? -17.749 10.510 -33.799 1.00 14.25 ? 73 ARG A CB 1 +ATOM 1395 C CG . ARG A 1 83 ? -17.697 9.063 -34.302 1.00 15.26 ? 73 ARG A CG 1 +ATOM 1396 C CD . ARG A 1 83 ? -16.281 8.646 -34.728 1.00 14.85 ? 73 ARG A CD 1 +ATOM 1397 N NE . ARG A 1 83 ? -15.746 9.590 -35.684 1.00 15.74 ? 73 ARG A NE 1 +ATOM 1398 C CZ . ARG A 1 83 ? -15.890 9.532 -36.996 1.00 15.66 ? 73 ARG A CZ 1 +ATOM 1399 N NH1 . ARG A 1 83 ? -16.485 8.512 -37.580 1.00 16.69 ? 73 ARG A NH1 1 +ATOM 1400 N NH2 . ARG A 1 83 ? -15.342 10.484 -37.733 1.00 18.07 ? 73 ARG A NH2 1 +ATOM 1401 H H . ARG A 1 83 ? -18.165 9.739 -31.536 1.00 16.64 ? 73 ARG A H 1 +ATOM 1402 H HA . ARG A 1 83 ? -18.943 11.837 -32.797 1.00 17.37 ? 73 ARG A HA 1 +ATOM 1403 H HB2 . ARG A 1 83 ? -17.742 11.085 -34.580 1.00 17.10 ? 73 ARG A HB2 1 +ATOM 1404 H HB3 . ARG A 1 83 ? -16.949 10.659 -33.271 1.00 17.10 ? 73 ARG A HB3 1 +ATOM 1405 H HG2 . ARG A 1 83 ? -17.986 8.469 -33.591 1.00 18.31 ? 73 ARG A HG2 1 +ATOM 1406 H HG3 . ARG A 1 83 ? -18.282 8.972 -35.070 1.00 18.31 ? 73 ARG A HG3 1 +ATOM 1407 H HD2 . ARG A 1 83 ? -15.700 8.627 -33.951 1.00 17.82 ? 73 ARG A HD2 1 +ATOM 1408 H HD3 . ARG A 1 83 ? -16.311 7.768 -35.141 1.00 17.82 ? 73 ARG A HD3 1 +ATOM 1409 H HE . ARG A 1 83 ? -15.294 10.251 -35.370 1.00 18.89 ? 73 ARG A HE 1 +ATOM 1410 H HH11 . ARG A 1 83 ? -16.791 7.863 -37.106 1.00 20.03 ? 73 ARG A HH11 1 +ATOM 1411 H HH12 . ARG A 1 83 ? -16.567 8.495 -38.436 1.00 20.03 ? 73 ARG A HH12 1 +ATOM 1412 H HH21 . ARG A 1 83 ? -14.905 11.122 -37.356 1.00 21.68 ? 73 ARG A HH21 1 +ATOM 1413 H HH22 . ARG A 1 83 ? -15.422 10.466 -38.589 1.00 21.68 ? 73 ARG A HH22 1 +ATOM 1414 N N . ARG A 1 84 ? -20.794 11.553 -34.345 1.00 14.70 ? 74 ARG A N 1 +ATOM 1415 C CA . ARG A 1 84 ? -22.117 11.399 -34.938 1.00 16.31 ? 74 ARG A CA 1 +ATOM 1416 C C . ARG A 1 84 ? -22.190 10.263 -35.952 1.00 17.61 ? 74 ARG A C 1 +ATOM 1417 O O . ARG A 1 84 ? -23.254 9.669 -36.119 1.00 17.79 ? 74 ARG A O 1 +ATOM 1418 C CB . ARG A 1 84 ? -22.572 12.714 -35.597 1.00 16.40 ? 74 ARG A CB 1 +ATOM 1419 C CG . ARG A 1 84 ? -21.778 13.146 -36.790 1.00 18.14 ? 74 ARG A CG 1 +ATOM 1420 C CD . ARG A 1 84 ? -22.313 14.448 -37.433 1.00 19.42 ? 74 ARG A CD 1 +ATOM 1421 N NE . ARG A 1 84 ? -21.499 14.684 -38.618 1.00 19.31 ? 74 ARG A NE 1 +ATOM 1422 C CZ . ARG A 1 84 ? -20.470 15.550 -38.675 1.00 18.91 ? 74 ARG A CZ 1 +ATOM 1423 N NH1 . ARG A 1 84 ? -20.164 16.363 -37.654 1.00 19.12 ? 74 ARG A NH1 1 +ATOM 1424 N NH2 . ARG A 1 84 ? -19.702 15.554 -39.792 1.00 19.61 ? 74 ARG A NH2 1 +ATOM 1425 H H . ARG A 1 84 ? -20.423 12.318 -34.477 1.00 17.64 ? 74 ARG A H 1 +ATOM 1426 H HA . ARG A 1 84 ? -22.731 11.187 -34.217 1.00 19.57 ? 74 ARG A HA 1 +ATOM 1427 H HB2 . ARG A 1 84 ? -23.492 12.608 -35.885 1.00 19.68 ? 74 ARG A HB2 1 +ATOM 1428 H HB3 . ARG A 1 84 ? -22.510 13.422 -34.937 1.00 19.68 ? 74 ARG A HB3 1 +ATOM 1429 H HG2 . ARG A 1 84 ? -20.860 13.303 -36.518 1.00 21.76 ? 74 ARG A HG2 1 +ATOM 1430 H HG3 . ARG A 1 84 ? -21.810 12.446 -37.461 1.00 21.76 ? 74 ARG A HG3 1 +ATOM 1431 H HD2 . ARG A 1 84 ? -23.242 14.343 -37.691 1.00 23.30 ? 74 ARG A HD2 1 +ATOM 1432 H HD3 . ARG A 1 84 ? -22.221 15.194 -36.820 1.00 23.30 ? 74 ARG A HD3 1 +ATOM 1433 H HE . ARG A 1 84 ? -21.688 14.239 -39.330 1.00 23.17 ? 74 ARG A HE 1 +ATOM 1434 H HH11 . ARG A 1 84 ? -20.631 16.341 -36.932 1.00 22.94 ? 74 ARG A HH11 1 +ATOM 1435 H HH12 . ARG A 1 84 ? -19.500 16.906 -37.721 1.00 22.94 ? 74 ARG A HH12 1 +ATOM 1436 H HH21 . ARG A 1 84 ? -19.879 15.014 -40.437 1.00 23.54 ? 74 ARG A HH21 1 +ATOM 1437 H HH22 . ARG A 1 84 ? -19.039 16.097 -39.856 1.00 23.54 ? 74 ARG A HH22 1 +ATOM 1438 N N . ASP A 1 85 ? -21.080 9.941 -36.615 1.00 16.53 ? 75 ASP A N 1 +ATOM 1439 C CA . ASP A 1 85 ? -21.121 8.846 -37.590 1.00 18.15 ? 75 ASP A CA 1 +ATOM 1440 C C . ASP A 1 85 ? -21.168 7.458 -36.959 1.00 18.43 ? 75 ASP A C 1 +ATOM 1441 O O . ASP A 1 85 ? -21.384 6.484 -37.686 1.00 19.96 ? 75 ASP A O 1 +ATOM 1442 C CB . ASP A 1 85 ? -19.951 8.937 -38.567 1.00 17.92 ? 75 ASP A CB 1 +ATOM 1443 C CG . ASP A 1 85 ? -20.131 9.955 -39.651 1.00 22.01 ? 75 ASP A CG 1 +ATOM 1444 O OD1 . ASP A 1 85 ? -21.228 10.518 -39.746 1.00 23.76 ? 75 ASP A OD1 1 +ATOM 1445 O OD2 . ASP A 1 85 ? -19.163 10.122 -40.432 1.00 21.74 ? 75 ASP A OD2 1 +ATOM 1446 H H . ASP A 1 85 ? -20.317 10.325 -36.522 1.00 19.83 ? 75 ASP A H 1 +ATOM 1447 H HA . ASP A 1 85 ? -21.936 8.953 -38.106 1.00 21.78 ? 75 ASP A HA 1 +ATOM 1448 H HB2 . ASP A 1 85 ? -19.151 9.173 -38.072 1.00 21.50 ? 75 ASP A HB2 1 +ATOM 1449 H HB3 . ASP A 1 85 ? -19.835 8.073 -38.993 1.00 21.50 ? 75 ASP A HB3 1 +ATOM 1450 N N . ASN A 1 86 ? -21.003 7.302 -35.672 1.00 18.38 ? 76 ASN A N 1 +ATOM 1451 C CA . ASN A 1 86 ? -21.101 5.984 -35.017 1.00 17.57 ? 76 ASN A CA 1 +ATOM 1452 C C . ASN A 1 86 ? -22.558 5.644 -34.813 1.00 20.12 ? 76 ASN A C 1 +ATOM 1453 O O . ASN A 1 86 ? -23.203 6.083 -33.860 1.00 20.09 ? 76 ASN A O 1 +ATOM 1454 C CB . ASN A 1 86 ? -20.365 5.984 -33.695 1.00 17.52 ? 76 ASN A CB 1 +ATOM 1455 C CG . ASN A 1 86 ? -20.488 4.657 -32.986 1.00 19.65 ? 76 ASN A CG 1 +ATOM 1456 O OD1 . ASN A 1 86 ? -20.999 3.673 -33.586 1.00 22.43 ? 76 ASN A OD1 1 +ATOM 1457 N ND2 . ASN A 1 86 ? -20.082 4.594 -31.751 1.00 18.76 ? 76 ASN A ND2 1 +ATOM 1458 H H . ASN A 1 86 ? -20.830 7.946 -35.129 1.00 22.05 ? 76 ASN A H 1 +ATOM 1459 H HA . ASN A 1 86 ? -20.705 5.320 -35.603 1.00 21.09 ? 76 ASN A HA 1 +ATOM 1460 H HB2 . ASN A 1 86 ? -19.424 6.159 -33.852 1.00 21.03 ? 76 ASN A HB2 1 +ATOM 1461 H HB3 . ASN A 1 86 ? -20.739 6.671 -33.121 1.00 21.03 ? 76 ASN A HB3 1 +ATOM 1462 H HD21 . ASN A 1 86 ? -20.138 3.854 -31.318 1.00 22.52 ? 76 ASN A HD21 1 +ATOM 1463 H HD22 . ASN A 1 86 ? -19.759 5.293 -31.369 1.00 22.52 ? 76 ASN A HD22 1 +ATOM 1464 N N . LYS A 1 87 ? -23.133 4.904 -35.747 1.00 20.15 ? 77 LYS A N 1 +ATOM 1465 C CA . LYS A 1 87 ? -24.521 4.505 -35.635 1.00 22.31 ? 77 LYS A CA 1 +ATOM 1466 C C . LYS A 1 87 ? -24.721 3.262 -34.775 1.00 21.09 ? 77 LYS A C 1 +ATOM 1467 O O . LYS A 1 87 ? -25.875 2.879 -34.567 1.00 28.77 ? 77 LYS A O 1 +ATOM 1468 C CB . LYS A 1 87 ? -25.125 4.283 -37.033 1.00 26.86 ? 77 LYS A CB 1 +ATOM 1469 C CG . LYS A 1 87 ? -24.921 5.409 -37.985 1.00 27.30 ? 77 LYS A CG 1 +ATOM 1470 C CD . LYS A 1 87 ? -25.397 6.763 -37.475 1.00 63.69 ? 77 LYS A CD 1 +ATOM 1471 C CE . LYS A 1 87 ? -25.074 7.879 -38.475 1.00 84.30 ? 77 LYS A CE 1 +ATOM 1472 N NZ . LYS A 1 87 ? -25.661 9.193 -38.086 1.00 76.04 ? 77 LYS A NZ 1 +ATOM 1473 H H . LYS A 1 87 ? -22.739 4.620 -36.457 1.00 24.18 ? 77 LYS A H 1 +ATOM 1474 H HA . LYS A 1 87 ? -25.015 5.227 -35.216 1.00 26.77 ? 77 LYS A HA 1 +ATOM 1475 H HB2 . LYS A 1 87 ? -24.717 3.494 -37.422 1.00 32.23 ? 77 LYS A HB2 1 +ATOM 1476 H HB3 . LYS A 1 87 ? -26.081 4.150 -36.938 1.00 32.23 ? 77 LYS A HB3 1 +ATOM 1477 H HG2 . LYS A 1 87 ? -23.973 5.486 -38.176 1.00 32.76 ? 77 LYS A HG2 1 +ATOM 1478 H HG3 . LYS A 1 87 ? -25.409 5.217 -38.802 1.00 32.76 ? 77 LYS A HG3 1 +ATOM 1479 H HD2 . LYS A 1 87 ? -26.358 6.738 -37.344 1.00 76.43 ? 77 LYS A HD2 1 +ATOM 1480 H HD3 . LYS A 1 87 ? -24.953 6.965 -36.636 1.00 76.43 ? 77 LYS A HD3 1 +ATOM 1481 H HE2 . LYS A 1 87 ? -24.111 7.985 -38.530 1.00 101.16 ? 77 LYS A HE2 1 +ATOM 1482 H HE3 . LYS A 1 87 ? -25.430 7.637 -39.344 1.00 101.16 ? 77 LYS A HE3 1 +ATOM 1483 H HZ1 . LYS A 1 87 ? -25.444 9.813 -38.686 1.00 91.25 ? 77 LYS A HZ1 1 +ATOM 1484 H HZ2 . LYS A 1 87 ? -26.548 9.130 -38.044 1.00 91.25 ? 77 LYS A HZ2 1 +ATOM 1485 H HZ3 . LYS A 1 87 ? -25.351 9.441 -37.290 1.00 91.25 ? 77 LYS A HZ3 1 +ATOM 1486 N N A ASN A 1 88 ? -23.665 2.597 -34.297 0.50 25.78 ? 78 ASN A N 1 +ATOM 1487 N N B ASN A 1 88 ? -23.620 2.631 -34.295 0.50 18.86 ? 78 ASN A N 1 +ATOM 1488 C CA A ASN A 1 88 ? -23.857 1.389 -33.476 0.50 22.56 ? 78 ASN A CA 1 +ATOM 1489 C CA B ASN A 1 88 ? -23.630 1.427 -33.458 0.50 23.50 ? 78 ASN A CA 1 +ATOM 1490 C C A ASN A 1 88 ? -24.401 1.764 -32.088 0.50 21.89 ? 78 ASN A C 1 +ATOM 1491 C C B ASN A 1 88 ? -23.695 1.752 -31.968 0.50 23.67 ? 78 ASN A C 1 +ATOM 1492 O O A ASN A 1 88 ? -25.160 1.005 -31.472 0.50 28.45 ? 78 ASN A O 1 +ATOM 1493 O O B ASN A 1 88 ? -23.135 1.016 -31.149 0.50 28.08 ? 78 ASN A O 1 +ATOM 1494 C CB A ASN A 1 88 ? -22.504 0.648 -33.422 0.50 23.87 ? 78 ASN A CB 1 +ATOM 1495 C CB B ASN A 1 88 ? -22.361 0.591 -33.667 0.50 31.48 ? 78 ASN A CB 1 +ATOM 1496 C CG A ASN A 1 88 ? -22.593 -0.811 -32.996 0.50 29.29 ? 78 ASN A CG 1 +ATOM 1497 C CG B ASN A 1 88 ? -22.286 -0.061 -35.017 0.50 33.48 ? 78 ASN A CG 1 +ATOM 1498 O OD1 A ASN A 1 88 ? -23.619 -1.461 -33.129 0.50 30.10 ? 78 ASN A OD1 1 +ATOM 1499 O OD1 B ASN A 1 88 ? -23.304 -0.253 -35.687 0.50 41.53 ? 78 ASN A OD1 1 +ATOM 1500 N ND2 A ASN A 1 88 ? -21.459 -1.347 -32.532 0.50 28.16 ? 78 ASN A ND2 1 +ATOM 1501 N ND2 B ASN A 1 88 ? -21.067 -0.426 -35.422 0.50 40.74 ? 78 ASN A ND2 1 +ATOM 1502 H H A ASN A 1 88 ? -22.844 2.815 -34.428 0.50 30.93 ? 78 ASN A H 1 +ATOM 1503 H H B ASN A 1 88 ? -22.820 2.904 -34.455 0.50 22.64 ? 78 ASN A H 1 +ATOM 1504 H HA A ASN A 1 88 ? -24.507 0.779 -33.859 0.50 27.08 ? 78 ASN A HA 1 +ATOM 1505 H HA B ASN A 1 88 ? -24.407 0.914 -33.732 0.50 28.19 ? 78 ASN A HA 1 +ATOM 1506 H HB2 A ASN A 1 88 ? -22.105 0.670 -34.306 0.50 28.64 ? 78 ASN A HB2 1 +ATOM 1507 H HB2 B ASN A 1 88 ? -21.587 1.168 -33.574 0.50 37.78 ? 78 ASN A HB2 1 +ATOM 1508 H HB3 A ASN A 1 88 ? -21.928 1.103 -32.787 0.50 28.64 ? 78 ASN A HB3 1 +ATOM 1509 H HB3 B ASN A 1 88 ? -22.335 -0.111 -32.998 0.50 37.78 ? 78 ASN A HB3 1 +ATOM 1510 H HD21 A ASN A 1 88 ? -21.445 -2.168 -32.275 0.50 33.80 ? 78 ASN A HD21 1 +ATOM 1511 H HD21 B ASN A 1 88 ? -20.963 -0.804 -36.188 0.50 48.88 ? 78 ASN A HD21 1 +ATOM 1512 H HD22 A ASN A 1 88 ? -20.744 -0.871 -32.489 0.50 33.80 ? 78 ASN A HD22 1 +ATOM 1513 H HD22 B ASN A 1 88 ? -20.385 -0.283 -34.918 0.50 48.88 ? 78 ASN A HD22 1 +ATOM 1514 N N A LEU A 1 89 ? -24.096 2.948 -31.620 0.41 25.62 ? 79 LEU A N 1 +ATOM 1515 N N B LEU A 1 89 ? -24.305 2.866 -31.603 0.59 21.49 ? 79 LEU A N 1 +ATOM 1516 C CA A LEU A 1 89 ? -24.366 3.305 -30.240 0.41 19.82 ? 79 LEU A CA 1 +ATOM 1517 C CA B LEU A 1 89 ? -24.377 3.295 -30.211 0.59 20.75 ? 79 LEU A CA 1 +ATOM 1518 C C A LEU A 1 89 ? -25.819 3.749 -30.034 0.41 16.97 ? 79 LEU A C 1 +ATOM 1519 C C B LEU A 1 89 ? -25.766 3.837 -29.956 0.59 22.62 ? 79 LEU A C 1 +ATOM 1520 O O A LEU A 1 89 ? -26.380 4.497 -30.839 0.41 20.31 ? 79 LEU A O 1 +ATOM 1521 O O B LEU A 1 89 ? -26.188 4.778 -30.646 0.59 21.00 ? 79 LEU A O 1 +ATOM 1522 C CB . LEU A 1 89 ? -23.384 4.415 -29.919 1.00 20.59 ? 79 LEU A CB 1 +ATOM 1523 C CG . LEU A 1 89 ? -23.366 4.875 -28.459 1.00 20.20 ? 79 LEU A CG 1 +ATOM 1524 C CD1 . LEU A 1 89 ? -22.958 3.730 -27.503 1.00 21.62 ? 79 LEU A CD1 1 +ATOM 1525 C CD2 . LEU A 1 89 ? -22.428 6.025 -28.346 1.00 20.41 ? 79 LEU A CD2 1 +ATOM 1526 H H A LEU A 1 89 ? -23.728 3.573 -32.081 0.50 30.75 ? 79 LEU A H 1 +ATOM 1527 H H B LEU A 1 89 ? -24.694 3.403 -32.151 0.50 25.79 ? 79 LEU A H 1 +ATOM 1528 H HA A LEU A 1 89 ? -24.257 2.555 -29.634 0.41 23.79 ? 79 LEU A HA 1 +ATOM 1529 H HA B LEU A 1 89 ? -24.192 2.532 -29.642 0.59 24.90 ? 79 LEU A HA 1 +ATOM 1530 H HB2 A LEU A 1 89 ? -22.491 4.104 -30.135 0.41 24.70 ? 79 LEU A HB2 1 +ATOM 1531 H HB2 B LEU A 1 89 ? -22.493 4.103 -30.140 0.59 24.70 ? 79 LEU A HB2 1 +ATOM 1532 H HB3 A LEU A 1 89 ? -23.608 5.186 -30.463 0.41 24.70 ? 79 LEU A HB3 1 +ATOM 1533 H HB3 B LEU A 1 89 ? -23.613 5.182 -30.466 0.59 24.70 ? 79 LEU A HB3 1 +ATOM 1534 H HG . LEU A 1 89 ? -24.256 5.148 -28.188 1.00 24.24 ? 79 LEU A HG 1 +ATOM 1535 H HD11 . LEU A 1 89 ? -22.819 4.095 -26.615 1.00 25.94 ? 79 LEU A HD11 1 +ATOM 1536 H HD12 . LEU A 1 89 ? -23.668 3.069 -27.482 1.00 25.94 ? 79 LEU A HD12 1 +ATOM 1537 H HD13 . LEU A 1 89 ? -22.139 3.325 -27.827 1.00 25.94 ? 79 LEU A HD13 1 +ATOM 1538 H HD21 . LEU A 1 89 ? -22.401 6.321 -27.423 1.00 24.49 ? 79 LEU A HD21 1 +ATOM 1539 H HD22 . LEU A 1 89 ? -21.544 5.741 -28.628 1.00 24.49 ? 79 LEU A HD22 1 +ATOM 1540 H HD23 . LEU A 1 89 ? -22.741 6.745 -28.916 1.00 24.49 ? 79 LEU A HD23 1 +ATOM 1541 N N . LYS A 1 90 ? -26.444 3.292 -28.952 1.00 19.55 ? 80 LYS A N 1 +ATOM 1542 C CA . LYS A 1 90 ? -27.749 3.816 -28.570 1.00 19.16 ? 80 LYS A CA 1 +ATOM 1543 C C . LYS A 1 90 ? -27.542 5.194 -27.911 1.00 17.18 ? 80 LYS A C 1 +ATOM 1544 O O . LYS A 1 90 ? -26.717 5.379 -27.034 1.00 17.73 ? 80 LYS A O 1 +ATOM 1545 C CB . LYS A 1 90 ? -28.427 2.855 -27.586 1.00 20.38 ? 80 LYS A CB 1 +ATOM 1546 C CG . LYS A 1 90 ? -29.758 3.355 -27.028 1.00 27.39 ? 80 LYS A CG 1 +ATOM 1547 C CD . LYS A 1 90 ? -30.847 3.366 -28.040 1.00 68.87 ? 80 LYS A CD 1 +ATOM 1548 C CE . LYS A 1 90 ? -32.201 3.651 -27.400 1.00 54.25 ? 80 LYS A CE 1 +ATOM 1549 N NZ . LYS A 1 90 ? -33.222 3.847 -28.464 1.00 93.55 ? 80 LYS A NZ 1 +ATOM 1550 H HA . LYS A 1 90 ? -28.325 3.908 -29.345 1.00 22.99 ? 80 LYS A HA 1 +ATOM 1551 H HB2 . LYS A 1 90 ? -28.597 2.015 -28.040 1.00 24.45 ? 80 LYS A HB2 1 +ATOM 1552 H HB3 . LYS A 1 90 ? -27.830 2.711 -26.834 1.00 24.45 ? 80 LYS A HB3 1 +ATOM 1553 H HG2 . LYS A 1 90 ? -30.033 2.775 -26.300 1.00 32.86 ? 80 LYS A HG2 1 +ATOM 1554 H HG3 . LYS A 1 90 ? -29.643 4.262 -26.704 1.00 32.86 ? 80 LYS A HG3 1 +ATOM 1555 H HD2 . LYS A 1 90 ? -30.669 4.057 -28.697 1.00 82.65 ? 80 LYS A HD2 1 +ATOM 1556 H HD3 . LYS A 1 90 ? -30.892 2.500 -28.474 1.00 82.65 ? 80 LYS A HD3 1 +ATOM 1557 H HE2 . LYS A 1 90 ? -32.467 2.901 -26.845 1.00 65.10 ? 80 LYS A HE2 1 +ATOM 1558 H HE3 . LYS A 1 90 ? -32.148 4.458 -26.864 1.00 65.10 ? 80 LYS A HE3 1 +ATOM 1559 H HZ1 . LYS A 1 90 ? -34.016 4.009 -28.097 1.00 112.27 ? 80 LYS A HZ1 1 +ATOM 1560 H HZ2 . LYS A 1 90 ? -32.996 4.537 -28.979 1.00 112.27 ? 80 LYS A HZ2 1 +ATOM 1561 H HZ3 . LYS A 1 90 ? -33.280 3.117 -28.969 1.00 112.27 ? 80 LYS A HZ3 1 +ATOM 1562 N N . ARG A 1 91 ? -28.304 6.176 -28.349 1.00 16.95 ? 81 ARG A N 1 +ATOM 1563 C CA . ARG A 1 91 ? -28.193 7.527 -27.832 1.00 16.38 ? 81 ARG A CA 1 +ATOM 1564 C C . ARG A 1 91 ? -29.261 7.780 -26.774 1.00 16.30 ? 81 ARG A C 1 +ATOM 1565 O O . ARG A 1 91 ? -30.337 7.185 -26.774 1.00 18.37 ? 81 ARG A O 1 +ATOM 1566 C CB . ARG A 1 91 ? -28.310 8.500 -29.004 1.00 17.48 ? 81 ARG A CB 1 +ATOM 1567 C CG . ARG A 1 91 ? -27.266 8.255 -30.107 1.00 18.08 ? 81 ARG A CG 1 +ATOM 1568 C CD . ARG A 1 91 ? -25.897 8.677 -29.715 1.00 18.13 ? 81 ARG A CD 1 +ATOM 1569 N NE . ARG A 1 91 ? -24.977 8.354 -30.825 1.00 17.18 ? 81 ARG A NE 1 +ATOM 1570 C CZ . ARG A 1 91 ? -23.824 8.933 -31.028 1.00 17.88 ? 81 ARG A CZ 1 +ATOM 1571 N NH1 . ARG A 1 91 ? -23.393 9.904 -30.245 1.00 16.98 ? 81 ARG A NH1 1 +ATOM 1572 N NH2 . ARG A 1 91 ? -23.060 8.552 -32.077 1.00 18.16 ? 81 ARG A NH2 1 +ATOM 1573 H H . ARG A 1 91 ? -28.906 6.085 -28.957 1.00 20.35 ? 81 ARG A H 1 +ATOM 1574 H HA . ARG A 1 91 ? -27.342 7.674 -27.391 1.00 19.66 ? 81 ARG A HA 1 +ATOM 1575 H HB2 . ARG A 1 91 ? -29.190 8.408 -29.402 1.00 20.97 ? 81 ARG A HB2 1 +ATOM 1576 H HB3 . ARG A 1 91 ? -28.189 9.404 -28.675 1.00 20.97 ? 81 ARG A HB3 1 +ATOM 1577 H HG2 . ARG A 1 91 ? -27.238 7.306 -30.310 1.00 21.69 ? 81 ARG A HG2 1 +ATOM 1578 H HG3 . ARG A 1 91 ? -27.518 8.756 -30.898 1.00 21.69 ? 81 ARG A HG3 1 +ATOM 1579 H HD2 . ARG A 1 91 ? -25.877 9.634 -29.552 1.00 21.76 ? 81 ARG A HD2 1 +ATOM 1580 H HD3 . ARG A 1 91 ? -25.616 8.200 -28.918 1.00 21.76 ? 81 ARG A HD3 1 +ATOM 1581 H HE . ARG A 1 91 ? -25.218 7.741 -31.377 1.00 20.62 ? 81 ARG A HE 1 +ATOM 1582 H HH11 . ARG A 1 91 ? -23.875 10.169 -29.583 1.00 20.37 ? 81 ARG A HH11 1 +ATOM 1583 H HH12 . ARG A 1 91 ? -22.630 10.272 -30.396 1.00 20.37 ? 81 ARG A HH12 1 +ATOM 1584 H HH21 . ARG A 1 91 ? -23.334 7.932 -32.606 1.00 21.79 ? 81 ARG A HH21 1 +ATOM 1585 H HH22 . ARG A 1 91 ? -22.300 8.930 -32.215 1.00 21.79 ? 81 ARG A HH22 1 +ATOM 1586 N N . TYR A 1 92 ? -28.919 8.672 -25.850 1.00 15.62 ? 82 TYR A N 1 +ATOM 1587 C CA . TYR A 1 92 ? -29.819 9.028 -24.769 1.00 15.92 ? 82 TYR A CA 1 +ATOM 1588 C C . TYR A 1 92 ? -29.619 10.489 -24.401 1.00 14.19 ? 82 TYR A C 1 +ATOM 1589 O O . TYR A 1 92 ? -28.598 11.122 -24.662 1.00 14.75 ? 82 TYR A O 1 +ATOM 1590 C CB . TYR A 1 92 ? -29.522 8.187 -23.478 1.00 14.89 ? 82 TYR A CB 1 +ATOM 1591 C CG . TYR A 1 92 ? -28.219 8.540 -22.795 1.00 14.99 ? 82 TYR A CG 1 +ATOM 1592 C CD1 . TYR A 1 92 ? -27.031 7.891 -23.142 1.00 15.54 ? 82 TYR A CD1 1 +ATOM 1593 C CD2 . TYR A 1 92 ? -28.145 9.526 -21.815 1.00 15.45 ? 82 TYR A CD2 1 +ATOM 1594 C CE1 . TYR A 1 92 ? -25.829 8.206 -22.543 1.00 14.69 ? 82 TYR A CE1 1 +ATOM 1595 C CE2 . TYR A 1 92 ? -26.927 9.887 -21.215 1.00 13.92 ? 82 TYR A CE2 1 +ATOM 1596 C CZ . TYR A 1 92 ? -25.778 9.216 -21.569 1.00 14.31 ? 82 TYR A CZ 1 +ATOM 1597 O OH . TYR A 1 92 ? -24.555 9.481 -21.008 1.00 14.70 ? 82 TYR A OH 1 +ATOM 1598 H H . TYR A 1 92 ? -28.166 9.085 -25.831 1.00 18.74 ? 82 TYR A H 1 +ATOM 1599 H HA . TYR A 1 92 ? -30.728 8.882 -25.077 1.00 19.11 ? 82 TYR A HA 1 +ATOM 1600 H HB2 . TYR A 1 92 ? -30.238 8.334 -22.840 1.00 17.87 ? 82 TYR A HB2 1 +ATOM 1601 H HB3 . TYR A 1 92 ? -29.482 7.249 -23.722 1.00 17.87 ? 82 TYR A HB3 1 +ATOM 1602 H HD1 . TYR A 1 92 ? -27.052 7.229 -23.795 1.00 18.65 ? 82 TYR A HD1 1 +ATOM 1603 H HD2 . TYR A 1 92 ? -28.924 9.959 -21.549 1.00 18.53 ? 82 TYR A HD2 1 +ATOM 1604 H HE1 . TYR A 1 92 ? -25.054 7.750 -22.784 1.00 17.63 ? 82 TYR A HE1 1 +ATOM 1605 H HE2 . TYR A 1 92 ? -26.897 10.571 -20.586 1.00 16.71 ? 82 TYR A HE2 1 +ATOM 1606 H HH . TYR A 1 92 ? -24.616 10.133 -20.481 1.00 17.64 ? 82 TYR A HH 1 +ATOM 1607 N N . ARG A 1 93 ? -30.651 11.003 -23.745 1.00 15.64 ? 83 ARG A N 1 +ATOM 1608 C CA . ARG A 1 93 ? -30.632 12.292 -23.071 1.00 16.36 ? 83 ARG A CA 1 +ATOM 1609 C C . ARG A 1 93 ? -31.374 12.172 -21.775 1.00 16.74 ? 83 ARG A C 1 +ATOM 1610 O O . ARG A 1 93 ? -32.480 11.657 -21.732 1.00 17.71 ? 83 ARG A O 1 +ATOM 1611 C CB . ARG A 1 93 ? -31.494 13.302 -23.869 1.00 22.41 ? 83 ARG A CB 1 +ATOM 1612 C CG . ARG A 1 93 ? -30.876 13.750 -25.120 1.00 22.02 ? 83 ARG A CG 1 +ATOM 1613 C CD . ARG A 1 93 ? -31.826 14.719 -25.785 1.00 22.22 ? 83 ARG A CD 1 +ATOM 1614 N NE . ARG A 1 93 ? -31.118 15.293 -26.878 1.00 18.23 ? 83 ARG A NE 1 +ATOM 1615 C CZ . ARG A 1 93 ? -31.615 15.475 -28.082 1.00 19.48 ? 83 ARG A CZ 1 +ATOM 1616 N NH1 . ARG A 1 93 ? -32.829 15.058 -28.405 1.00 20.36 ? 83 ARG A NH1 1 +ATOM 1617 N NH2 . ARG A 1 93 ? -30.874 16.069 -28.985 1.00 18.83 ? 83 ARG A NH2 1 +ATOM 1618 H H . ARG A 1 93 ? -31.410 10.605 -23.672 1.00 18.77 ? 83 ARG A H 1 +ATOM 1619 H HA . ARG A 1 93 ? -29.711 12.572 -22.950 1.00 19.64 ? 83 ARG A HA 1 +ATOM 1620 H HB2 . ARG A 1 93 ? -32.340 12.883 -24.091 1.00 26.89 ? 83 ARG A HB2 1 +ATOM 1621 H HB3 . ARG A 1 93 ? -31.647 14.086 -23.318 1.00 26.89 ? 83 ARG A HB3 1 +ATOM 1622 H HG2 . ARG A 1 93 ? -30.036 14.199 -24.937 1.00 26.43 ? 83 ARG A HG2 1 +ATOM 1623 H HG3 . ARG A 1 93 ? -30.726 12.994 -25.709 1.00 26.43 ? 83 ARG A HG3 1 +ATOM 1624 H HD2 . ARG A 1 93 ? -32.611 14.255 -26.113 1.00 26.67 ? 83 ARG A HD2 1 +ATOM 1625 H HD3 . ARG A 1 93 ? -32.088 15.417 -25.164 1.00 26.67 ? 83 ARG A HD3 1 +ATOM 1626 H HE . ARG A 1 93 ? -30.305 15.539 -26.741 1.00 21.88 ? 83 ARG A HE 1 +ATOM 1627 H HH11 . ARG A 1 93 ? -33.315 14.655 -27.821 1.00 24.43 ? 83 ARG A HH11 1 +ATOM 1628 H HH12 . ARG A 1 93 ? -33.132 15.189 -29.199 1.00 24.43 ? 83 ARG A HH12 1 +ATOM 1629 H HH21 . ARG A 1 93 ? -30.080 16.331 -28.784 1.00 22.59 ? 83 ARG A HH21 1 +ATOM 1630 H HH22 . ARG A 1 93 ? -31.182 16.197 -29.777 1.00 22.59 ? 83 ARG A HH22 1 +ATOM 1631 N N . MET A 1 94 ? -30.788 12.740 -20.714 1.00 15.23 ? 84 MET A N 1 +ATOM 1632 C CA . MET A 1 94 ? -31.452 12.822 -19.399 1.00 15.13 ? 84 MET A CA 1 +ATOM 1633 C C . MET A 1 94 ? -32.308 14.070 -19.314 1.00 15.62 ? 84 MET A C 1 +ATOM 1634 O O . MET A 1 94 ? -31.917 15.138 -19.811 1.00 16.74 ? 84 MET A O 1 +ATOM 1635 C CB . MET A 1 94 ? -30.413 12.845 -18.289 1.00 14.98 ? 84 MET A CB 1 +ATOM 1636 C CG . MET A 1 94 ? -29.632 11.567 -18.210 1.00 15.50 ? 84 MET A CG 1 +ATOM 1637 S SD . MET A 1 94 ? -28.323 11.539 -16.929 1.00 15.81 ? 84 MET A SD 1 +ATOM 1638 C CE . MET A 1 94 ? -29.273 11.667 -15.410 1.00 16.82 ? 84 MET A CE 1 +ATOM 1639 H H . MET A 1 94 ? -30.002 13.088 -20.727 1.00 18.28 ? 84 MET A H 1 +ATOM 1640 H HA . MET A 1 94 ? -32.017 12.043 -19.280 1.00 18.15 ? 84 MET A HA 1 +ATOM 1641 H HB2 . MET A 1 94 ? -29.790 13.570 -18.453 1.00 17.98 ? 84 MET A HB2 1 +ATOM 1642 H HB3 . MET A 1 94 ? -30.860 12.979 -17.439 1.00 17.98 ? 84 MET A HB3 1 +ATOM 1643 H HG2 . MET A 1 94 ? -30.247 10.843 -18.013 1.00 18.60 ? 84 MET A HG2 1 +ATOM 1644 H HG3 . MET A 1 94 ? -29.204 11.415 -19.067 1.00 18.60 ? 84 MET A HG3 1 +ATOM 1645 H HE1 . MET A 1 94 ? -28.666 11.633 -14.654 1.00 20.18 ? 84 MET A HE1 1 +ATOM 1646 H HE2 . MET A 1 94 ? -29.756 12.508 -15.409 1.00 20.18 ? 84 MET A HE2 1 +ATOM 1647 H HE3 . MET A 1 94 ? -29.898 10.926 -15.365 1.00 20.18 ? 84 MET A HE3 1 +ATOM 1648 N N . THR A 1 95 ? -33.430 13.973 -18.637 1.00 17.11 ? 85 THR A N 1 +ATOM 1649 C CA . THR A 1 95 ? -34.204 15.158 -18.413 1.00 16.78 ? 85 THR A CA 1 +ATOM 1650 C C . THR A 1 95 ? -33.522 16.062 -17.385 1.00 18.12 ? 85 THR A C 1 +ATOM 1651 O O . THR A 1 95 ? -32.725 15.600 -16.557 1.00 17.78 ? 85 THR A O 1 +ATOM 1652 C CB . THR A 1 95 ? -35.608 14.811 -17.893 1.00 18.59 ? 85 THR A CB 1 +ATOM 1653 O OG1 . THR A 1 95 ? -35.473 14.240 -16.592 1.00 19.10 ? 85 THR A OG1 1 +ATOM 1654 C CG2 . THR A 1 95 ? -36.390 13.835 -18.775 1.00 20.46 ? 85 THR A CG2 1 +ATOM 1655 H H . THR A 1 95 ? -33.754 13.248 -18.307 1.00 20.53 ? 85 THR A H 1 +ATOM 1656 H HA . THR A 1 95 ? -34.288 15.630 -19.256 1.00 20.14 ? 85 THR A HA 1 +ATOM 1657 H HB . THR A 1 95 ? -36.126 15.631 -17.887 1.00 22.31 ? 85 THR A HB 1 +ATOM 1658 H HG1 . THR A 1 95 ? -35.815 14.750 -16.018 1.00 22.92 ? 85 THR A HG1 1 +ATOM 1659 H HG21 . THR A 1 95 ? -37.261 13.661 -18.385 1.00 24.55 ? 85 THR A HG21 1 +ATOM 1660 H HG22 . THR A 1 95 ? -36.511 14.212 -19.661 1.00 24.55 ? 85 THR A HG22 1 +ATOM 1661 H HG23 . THR A 1 95 ? -35.906 12.998 -18.853 1.00 24.55 ? 85 THR A HG23 1 +ATOM 1662 N N . PRO A 1 96 ? -33.929 17.326 -17.332 1.00 18.46 ? 86 PRO A N 1 +ATOM 1663 C CA . PRO A 1 96 ? -33.405 18.186 -16.265 1.00 19.91 ? 86 PRO A CA 1 +ATOM 1664 C C . PRO A 1 96 ? -33.725 17.657 -14.881 1.00 21.30 ? 86 PRO A C 1 +ATOM 1665 O O . PRO A 1 96 ? -32.847 17.719 -13.998 1.00 20.85 ? 86 PRO A O 1 +ATOM 1666 C CB . PRO A 1 96 ? -34.046 19.553 -16.558 1.00 22.04 ? 86 PRO A CB 1 +ATOM 1667 C CG . PRO A 1 96 ? -34.350 19.533 -18.042 1.00 23.86 ? 86 PRO A CG 1 +ATOM 1668 C CD . PRO A 1 96 ? -34.649 18.111 -18.372 1.00 21.99 ? 86 PRO A CD 1 +ATOM 1669 H HA . PRO A 1 96 ? -32.444 18.285 -16.350 1.00 23.89 ? 86 PRO A HA 1 +ATOM 1670 H HB2 . PRO A 1 96 ? -34.859 19.655 -16.039 1.00 26.45 ? 86 PRO A HB2 1 +ATOM 1671 H HB3 . PRO A 1 96 ? -33.422 20.263 -16.341 1.00 26.45 ? 86 PRO A HB3 1 +ATOM 1672 H HG2 . PRO A 1 96 ? -35.117 20.097 -18.227 1.00 28.63 ? 86 PRO A HG2 1 +ATOM 1673 H HG3 . PRO A 1 96 ? -33.579 19.847 -18.539 1.00 28.63 ? 86 PRO A HG3 1 +ATOM 1674 H HD2 . PRO A 1 96 ? -35.603 17.944 -18.325 1.00 26.39 ? 86 PRO A HD2 1 +ATOM 1675 H HD3 . PRO A 1 96 ? -34.317 17.890 -19.256 1.00 26.39 ? 86 PRO A HD3 1 +ATOM 1676 N N . GLU A 1 97 ? -34.913 17.095 -14.678 1.00 20.88 ? 87 GLU A N 1 +ATOM 1677 C CA . GLU A 1 97 ? -35.248 16.530 -13.376 1.00 23.25 ? 87 GLU A CA 1 +ATOM 1678 C C . GLU A 1 97 ? -34.320 15.384 -13.028 1.00 22.29 ? 87 GLU A C 1 +ATOM 1679 O O . GLU A 1 97 ? -33.896 15.249 -11.868 1.00 22.46 ? 87 GLU A O 1 +ATOM 1680 C CB . GLU A 1 97 ? -36.726 16.062 -13.378 1.00 24.95 ? 87 GLU A CB 1 +ATOM 1681 C CG . GLU A 1 97 ? -37.172 15.456 -12.039 1.00 28.58 ? 87 GLU A CG 1 +ATOM 1682 C CD . GLU A 1 97 ? -37.193 13.916 -11.941 1.00 45.22 ? 87 GLU A CD 1 +ATOM 1683 O OE1 . GLU A 1 97 ? -37.011 13.143 -12.932 1.00 28.91 ? 87 GLU A OE1 1 +ATOM 1684 O OE2 . GLU A 1 97 ? -37.407 13.448 -10.804 1.00 52.28 ? 87 GLU A OE2 1 +ATOM 1685 H H . GLU A 1 97 ? -35.535 17.029 -15.269 1.00 25.06 ? 87 GLU A H 1 +ATOM 1686 H HA . GLU A 1 97 ? -35.146 17.214 -12.696 1.00 27.90 ? 87 GLU A HA 1 +ATOM 1687 H HB2 . GLU A 1 97 ? -37.296 16.824 -13.565 1.00 29.94 ? 87 GLU A HB2 1 +ATOM 1688 H HB3 . GLU A 1 97 ? -36.839 15.385 -14.064 1.00 29.94 ? 87 GLU A HB3 1 +ATOM 1689 H HG2 . GLU A 1 97 ? -36.568 15.774 -11.349 1.00 34.30 ? 87 GLU A HG2 1 +ATOM 1690 H HG3 . GLU A 1 97 ? -38.074 15.762 -11.857 1.00 34.30 ? 87 GLU A HG3 1 +ATOM 1691 N N . GLU A 1 98 ? -34.071 14.482 -13.981 1.00 20.18 ? 88 GLU A N 1 +ATOM 1692 C CA . GLU A 1 98 ? -33.161 13.373 -13.714 1.00 19.89 ? 88 GLU A CA 1 +ATOM 1693 C C . GLU A 1 98 ? -31.803 13.903 -13.314 1.00 18.11 ? 88 GLU A C 1 +ATOM 1694 O O . GLU A 1 98 ? -31.186 13.405 -12.387 1.00 18.98 ? 88 GLU A O 1 +ATOM 1695 C CB . GLU A 1 98 ? -33.014 12.467 -14.946 1.00 19.19 ? 88 GLU A CB 1 +ATOM 1696 C CG . GLU A 1 98 ? -34.106 11.498 -15.150 1.00 21.43 ? 88 GLU A CG 1 +ATOM 1697 C CD . GLU A 1 98 ? -33.849 10.736 -16.427 1.00 24.23 ? 88 GLU A CD 1 +ATOM 1698 O OE1 . GLU A 1 98 ? -33.757 11.338 -17.533 1.00 22.30 ? 88 GLU A OE1 1 +ATOM 1699 O OE2 . GLU A 1 98 ? -33.855 9.489 -16.373 1.00 26.44 ? 88 GLU A OE2 1 +ATOM 1700 H H . GLU A 1 98 ? -34.409 14.491 -14.772 1.00 24.21 ? 88 GLU A H 1 +ATOM 1701 H HA . GLU A 1 98 ? -33.532 12.837 -12.996 1.00 23.87 ? 88 GLU A HA 1 +ATOM 1702 H HB2 . GLU A 1 98 ? -32.975 13.028 -15.736 1.00 23.03 ? 88 GLU A HB2 1 +ATOM 1703 H HB3 . GLU A 1 98 ? -32.192 11.961 -14.857 1.00 23.03 ? 88 GLU A HB3 1 +ATOM 1704 H HG2 . GLU A 1 98 ? -34.137 10.873 -14.409 1.00 25.72 ? 88 GLU A HG2 1 +ATOM 1705 H HG3 . GLU A 1 98 ? -34.953 11.965 -15.226 1.00 25.72 ? 88 GLU A HG3 1 +ATOM 1706 N N . ILE A 1 99 ? -31.310 14.899 -14.045 1.00 16.94 ? 89 ILE A N 1 +ATOM 1707 C CA . ILE A 1 99 ? -29.969 15.431 -13.787 1.00 17.09 ? 89 ILE A CA 1 +ATOM 1708 C C . ILE A 1 99 ? -29.890 16.103 -12.414 1.00 15.71 ? 89 ILE A C 1 +ATOM 1709 O O . ILE A 1 99 ? -28.961 15.853 -11.647 1.00 16.59 ? 89 ILE A O 1 +ATOM 1710 C CB . ILE A 1 99 ? -29.544 16.386 -14.905 1.00 15.41 ? 89 ILE A CB 1 +ATOM 1711 C CG1 . ILE A 1 99 ? -29.521 15.700 -16.272 1.00 15.57 ? 89 ILE A CG1 1 +ATOM 1712 C CG2 . ILE A 1 99 ? -28.183 17.005 -14.570 1.00 15.85 ? 89 ILE A CG2 1 +ATOM 1713 C CD1 . ILE A 1 99 ? -29.507 16.642 -17.451 1.00 15.94 ? 89 ILE A CD1 1 +ATOM 1714 H H . ILE A 1 99 ? -31.725 15.283 -14.692 1.00 20.33 ? 89 ILE A H 1 +ATOM 1715 H HA . ILE A 1 99 ? -29.353 14.682 -13.777 1.00 20.50 ? 89 ILE A HA 1 +ATOM 1716 H HB . ILE A 1 99 ? -30.208 17.091 -14.961 1.00 18.49 ? 89 ILE A HB 1 +ATOM 1717 H HG12 . ILE A 1 99 ? -28.724 15.151 -16.328 1.00 18.69 ? 89 ILE A HG12 1 +ATOM 1718 H HG13 . ILE A 1 99 ? -30.313 15.145 -16.352 1.00 18.69 ? 89 ILE A HG13 1 +ATOM 1719 H HG21 . ILE A 1 99 ? -27.815 17.411 -15.371 1.00 19.02 ? 89 ILE A HG21 1 +ATOM 1720 H HG22 . ILE A 1 99 ? -28.303 17.679 -13.883 1.00 19.02 ? 89 ILE A HG22 1 +ATOM 1721 H HG23 . ILE A 1 99 ? -27.590 16.308 -14.249 1.00 19.02 ? 89 ILE A HG23 1 +ATOM 1722 H HD11 . ILE A 1 99 ? -29.593 16.127 -18.268 1.00 19.13 ? 89 ILE A HD11 1 +ATOM 1723 H HD12 . ILE A 1 99 ? -30.250 17.260 -17.370 1.00 19.13 ? 89 ILE A HD12 1 +ATOM 1724 H HD13 . ILE A 1 99 ? -28.669 17.131 -17.454 1.00 19.13 ? 89 ILE A HD13 1 +ATOM 1725 N N . VAL A 1 100 ? -30.836 16.987 -12.131 1.00 16.79 ? 90 VAL A N 1 +ATOM 1726 C CA . VAL A 1 100 ? -30.813 17.704 -10.843 1.00 17.53 ? 90 VAL A CA 1 +ATOM 1727 C C . VAL A 1 100 ? -30.925 16.727 -9.695 1.00 17.23 ? 90 VAL A C 1 +ATOM 1728 O O . VAL A 1 100 ? -30.188 16.839 -8.684 1.00 17.20 ? 90 VAL A O 1 +ATOM 1729 C CB . VAL A 1 100 ? -31.910 18.774 -10.819 1.00 17.86 ? 90 VAL A CB 1 +ATOM 1730 C CG1 . VAL A 1 100 ? -32.101 19.362 -9.426 1.00 19.56 ? 90 VAL A CG1 1 +ATOM 1731 C CG2 . VAL A 1 100 ? -31.616 19.875 -11.823 1.00 20.33 ? 90 VAL A CG2 1 +ATOM 1732 H H . VAL A 1 100 ? -31.492 17.192 -12.648 1.00 20.15 ? 90 VAL A H 1 +ATOM 1733 H HA . VAL A 1 100 ? -29.962 18.159 -10.746 1.00 21.04 ? 90 VAL A HA 1 +ATOM 1734 H HB . VAL A 1 100 ? -32.743 18.343 -11.069 1.00 21.44 ? 90 VAL A HB 1 +ATOM 1735 H HG11 . VAL A 1 100 ? -32.625 20.175 -9.496 1.00 23.47 ? 90 VAL A HG11 1 +ATOM 1736 H HG12 . VAL A 1 100 ? -32.566 18.716 -8.872 1.00 23.47 ? 90 VAL A HG12 1 +ATOM 1737 H HG13 . VAL A 1 100 ? -31.232 19.560 -9.045 1.00 23.47 ? 90 VAL A HG13 1 +ATOM 1738 H HG21 . VAL A 1 100 ? -32.330 20.530 -11.790 1.00 24.39 ? 90 VAL A HG21 1 +ATOM 1739 H HG22 . VAL A 1 100 ? -30.772 20.293 -11.594 1.00 24.39 ? 90 VAL A HG22 1 +ATOM 1740 H HG23 . VAL A 1 100 ? -31.563 19.487 -12.710 1.00 24.39 ? 90 VAL A HG23 1 +ATOM 1741 N N . GLU A 1 101 ? -31.857 15.771 -9.782 1.00 17.42 ? 91 GLU A N 1 +ATOM 1742 C CA . GLU A 1 101 ? -32.002 14.834 -8.655 1.00 19.21 ? 91 GLU A CA 1 +ATOM 1743 C C . GLU A 1 101 ? -30.795 13.934 -8.482 1.00 18.69 ? 91 GLU A C 1 +ATOM 1744 O O . GLU A 1 101 ? -30.398 13.577 -7.360 1.00 19.18 ? 91 GLU A O 1 +ATOM 1745 C CB . GLU A 1 101 ? -33.324 14.059 -8.787 1.00 21.48 ? 91 GLU A CB 1 +ATOM 1746 C CG . GLU A 1 101 ? -34.532 14.953 -8.603 1.00 25.57 ? 91 GLU A CG 1 +ATOM 1747 C CD . GLU A 1 101 ? -34.430 15.831 -7.335 1.00 35.30 ? 91 GLU A CD 1 +ATOM 1748 O OE1 . GLU A 1 101 ? -34.153 15.286 -6.237 1.00 28.50 ? 91 GLU A OE1 1 +ATOM 1749 O OE2 . GLU A 1 101 ? -34.551 17.071 -7.472 1.00 34.90 ? 91 GLU A OE2 1 +ATOM 1750 H H . GLU A 1 101 ? -32.391 15.647 -10.445 1.00 20.90 ? 91 GLU A H 1 +ATOM 1751 H HA . GLU A 1 101 ? -32.060 15.337 -7.828 1.00 23.05 ? 91 GLU A HA 1 +ATOM 1752 H HB2 . GLU A 1 101 ? -33.373 13.662 -9.671 1.00 25.78 ? 91 GLU A HB2 1 +ATOM 1753 H HB3 . GLU A 1 101 ? -33.354 13.365 -8.110 1.00 25.78 ? 91 GLU A HB3 1 +ATOM 1754 H HG2 . GLU A 1 101 ? -34.612 15.540 -9.371 1.00 30.69 ? 91 GLU A HG2 1 +ATOM 1755 H HG3 . GLU A 1 101 ? -35.326 14.401 -8.524 1.00 30.69 ? 91 GLU A HG3 1 +ATOM 1756 N N . ARG A 1 102 ? -30.167 13.552 -9.581 1.00 17.85 ? 92 ARG A N 1 +ATOM 1757 C CA . ARG A 1 102 ? -28.951 12.768 -9.490 1.00 17.65 ? 92 ARG A CA 1 +ATOM 1758 C C . ARG A 1 102 ? -27.815 13.566 -8.894 1.00 16.65 ? 92 ARG A C 1 +ATOM 1759 O O . ARG A 1 102 ? -27.040 13.053 -8.062 1.00 17.54 ? 92 ARG A O 1 +ATOM 1760 C CB . ARG A 1 102 ? -28.602 12.215 -10.868 1.00 17.86 ? 92 ARG A CB 1 +ATOM 1761 C CG . ARG A 1 102 ? -27.485 11.262 -10.881 1.00 18.98 ? 92 ARG A CG 1 +ATOM 1762 C CD . ARG A 1 102 ? -27.745 9.949 -10.188 1.00 19.95 ? 92 ARG A CD 1 +ATOM 1763 N NE . ARG A 1 102 ? -26.622 9.087 -10.366 1.00 19.60 ? 92 ARG A NE 1 +ATOM 1764 C CZ . ARG A 1 102 ? -26.511 7.851 -9.915 1.00 19.20 ? 92 ARG A CZ 1 +ATOM 1765 N NH1 . ARG A 1 102 ? -27.499 7.247 -9.294 1.00 21.48 ? 92 ARG A NH1 1 +ATOM 1766 N NH2 . ARG A 1 102 ? -25.399 7.229 -10.235 1.00 21.52 ? 92 ARG A NH2 1 +ATOM 1767 H H . ARG A 1 102 ? -30.421 13.730 -10.383 1.00 21.42 ? 92 ARG A H 1 +ATOM 1768 H HA . ARG A 1 102 ? -29.097 12.014 -8.897 1.00 21.18 ? 92 ARG A HA 1 +ATOM 1769 H HB2 . ARG A 1 102 ? -29.380 11.757 -11.222 1.00 21.44 ? 92 ARG A HB2 1 +ATOM 1770 H HB3 . ARG A 1 102 ? -28.361 12.955 -11.446 1.00 21.44 ? 92 ARG A HB3 1 +ATOM 1771 H HG2 . ARG A 1 102 ? -27.264 11.062 -11.804 1.00 22.77 ? 92 ARG A HG2 1 +ATOM 1772 H HG3 . ARG A 1 102 ? -26.726 11.675 -10.440 1.00 22.77 ? 92 ARG A HG3 1 +ATOM 1773 H HD2 . ARG A 1 102 ? -27.878 10.099 -9.239 1.00 23.94 ? 92 ARG A HD2 1 +ATOM 1774 H HD3 . ARG A 1 102 ? -28.529 9.526 -10.571 1.00 23.94 ? 92 ARG A HD3 1 +ATOM 1775 H HE . ARG A 1 102 ? -25.955 9.401 -10.809 1.00 23.52 ? 92 ARG A HE 1 +ATOM 1776 H HH11 . ARG A 1 102 ? -28.245 7.658 -9.172 1.00 25.77 ? 92 ARG A HH11 1 +ATOM 1777 H HH12 . ARG A 1 102 ? -27.400 6.442 -9.010 1.00 25.77 ? 92 ARG A HH12 1 +ATOM 1778 H HH21 . ARG A 1 102 ? -24.804 7.629 -10.709 1.00 25.83 ? 92 ARG A HH21 1 +ATOM 1779 H HH22 . ARG A 1 102 ? -25.266 6.421 -9.971 1.00 25.83 ? 92 ARG A HH22 1 +ATOM 1780 N N . ALA A 1 103 ? -27.717 14.828 -9.251 1.00 15.86 ? 93 ALA A N 1 +ATOM 1781 C CA . ALA A 1 103 ? -26.745 15.715 -8.631 1.00 15.06 ? 93 ALA A CA 1 +ATOM 1782 C C . ALA A 1 103 ? -27.015 15.856 -7.142 1.00 16.83 ? 93 ALA A C 1 +ATOM 1783 O O . ALA A 1 103 ? -26.067 15.788 -6.347 1.00 16.40 ? 93 ALA A O 1 +ATOM 1784 C CB . ALA A 1 103 ? -26.761 17.090 -9.275 1.00 16.52 ? 93 ALA A CB 1 +ATOM 1785 H H . ALA A 1 103 ? -28.201 15.205 -9.854 1.00 19.03 ? 93 ALA A H 1 +ATOM 1786 H HA . ALA A 1 103 ? -25.865 15.331 -8.768 1.00 18.08 ? 93 ALA A HA 1 +ATOM 1787 H HB1 . ALA A 1 103 ? -26.107 17.654 -8.832 1.00 19.82 ? 93 ALA A HB1 1 +ATOM 1788 H HB2 . ALA A 1 103 ? -26.537 17.001 -10.215 1.00 19.82 ? 93 ALA A HB2 1 +ATOM 1789 H HB3 . ALA A 1 103 ? -27.647 17.473 -9.180 1.00 19.82 ? 93 ALA A HB3 1 +ATOM 1790 N N . ARG A 1 104 ? -28.281 16.010 -6.750 1.00 15.59 ? 94 ARG A N 1 +ATOM 1791 C CA . ARG A 1 104 ? -28.584 16.096 -5.321 1.00 17.86 ? 94 ARG A CA 1 +ATOM 1792 C C . ARG A 1 104 ? -28.084 14.869 -4.575 1.00 17.77 ? 94 ARG A C 1 +ATOM 1793 O O . ARG A 1 104 ? -27.555 14.987 -3.463 1.00 17.57 ? 94 ARG A O 1 +ATOM 1794 C CB . ARG A 1 104 ? -30.090 16.259 -5.188 1.00 18.79 ? 94 ARG A CB 1 +ATOM 1795 C CG . ARG A 1 104 ? -30.510 16.538 -3.763 1.00 19.86 ? 94 ARG A CG 1 +ATOM 1796 C CD . ARG A 1 104 ? -32.026 16.571 -3.558 1.00 23.56 ? 94 ARG A CD 1 +ATOM 1797 N NE . ARG A 1 104 ? -32.723 17.330 -4.563 1.00 24.05 ? 94 ARG A NE 1 +ATOM 1798 C CZ . ARG A 1 104 ? -32.682 18.656 -4.675 1.00 26.69 ? 94 ARG A CZ 1 +ATOM 1799 N NH1 . ARG A 1 104 ? -33.330 19.259 -5.671 1.00 27.31 ? 94 ARG A NH1 1 +ATOM 1800 N NH2 . ARG A 1 104 ? -32.066 19.406 -3.770 1.00 28.92 ? 94 ARG A NH2 1 +ATOM 1801 H H . ARG A 1 104 ? -28.960 16.067 -7.274 1.00 18.71 ? 94 ARG A H 1 +ATOM 1802 H HA . ARG A 1 104 ? -28.142 16.859 -4.917 1.00 21.43 ? 94 ARG A HA 1 +ATOM 1803 H HB2 . ARG A 1 104 ? -30.379 17.001 -5.741 1.00 22.55 ? 94 ARG A HB2 1 +ATOM 1804 H HB3 . ARG A 1 104 ? -30.525 15.441 -5.477 1.00 22.55 ? 94 ARG A HB3 1 +ATOM 1805 H HG2 . ARG A 1 104 ? -30.150 15.843 -3.190 1.00 23.83 ? 94 ARG A HG2 1 +ATOM 1806 H HG3 . ARG A 1 104 ? -30.158 17.402 -3.498 1.00 23.83 ? 94 ARG A HG3 1 +ATOM 1807 H HD2 . ARG A 1 104 ? -32.365 15.663 -3.583 1.00 28.27 ? 94 ARG A HD2 1 +ATOM 1808 H HD3 . ARG A 1 104 ? -32.217 16.974 -2.696 1.00 28.27 ? 94 ARG A HD3 1 +ATOM 1809 H HE . ARG A 1 104 ? -33.200 16.896 -5.132 1.00 28.86 ? 94 ARG A HE 1 +ATOM 1810 H HH11 . ARG A 1 104 ? -33.774 18.791 -6.240 1.00 32.78 ? 94 ARG A HH11 1 +ATOM 1811 H HH12 . ARG A 1 104 ? -33.305 20.115 -5.745 1.00 32.78 ? 94 ARG A HH12 1 +ATOM 1812 H HH21 . ARG A 1 104 ? -31.683 19.036 -3.095 1.00 34.71 ? 94 ARG A HH21 1 +ATOM 1813 H HH22 . ARG A 1 104 ? -32.050 20.261 -3.859 1.00 34.71 ? 94 ARG A HH22 1 +ATOM 1814 N N . LEU A 1 105 ? -28.234 13.679 -5.148 1.00 17.01 ? 95 LEU A N 1 +ATOM 1815 C CA . LEU A 1 105 ? -27.759 12.480 -4.495 1.00 17.43 ? 95 LEU A CA 1 +ATOM 1816 C C . LEU A 1 105 ? -26.245 12.478 -4.359 1.00 16.61 ? 95 LEU A C 1 +ATOM 1817 O O . LEU A 1 105 ? -25.715 12.113 -3.298 1.00 17.64 ? 95 LEU A O 1 +ATOM 1818 C CB . LEU A 1 105 ? -28.241 11.266 -5.281 1.00 19.54 ? 95 LEU A CB 1 +ATOM 1819 C CG . LEU A 1 105 ? -28.135 9.959 -4.545 1.00 22.21 ? 95 LEU A CG 1 +ATOM 1820 C CD1 . LEU A 1 105 ? -29.040 9.943 -3.295 1.00 24.47 ? 95 LEU A CD1 1 +ATOM 1821 C CD2 . LEU A 1 105 ? -28.571 8.894 -5.560 1.00 28.69 ? 95 LEU A CD2 1 +ATOM 1822 H H . LEU A 1 105 ? -28.606 13.545 -5.911 1.00 20.41 ? 95 LEU A H 1 +ATOM 1823 H HA . LEU A 1 105 ? -28.125 12.434 -3.598 1.00 20.92 ? 95 LEU A HA 1 +ATOM 1824 H HB2 . LEU A 1 105 ? -29.174 11.398 -5.510 1.00 23.45 ? 95 LEU A HB2 1 +ATOM 1825 H HB3 . LEU A 1 105 ? -27.709 11.191 -6.089 1.00 23.45 ? 95 LEU A HB3 1 +ATOM 1826 H HG . LEU A 1 105 ? -27.238 9.794 -4.216 1.00 26.65 ? 95 LEU A HG 1 +ATOM 1827 H HD11 . LEU A 1 105 ? -29.112 9.033 -2.969 1.00 29.37 ? 95 LEU A HD11 1 +ATOM 1828 H HD12 . LEU A 1 105 ? -28.646 10.509 -2.613 1.00 29.37 ? 95 LEU A HD12 1 +ATOM 1829 H HD13 . LEU A 1 105 ? -29.918 10.278 -3.536 1.00 29.37 ? 95 LEU A HD13 1 +ATOM 1830 H HD21 . LEU A 1 105 ? -28.552 8.023 -5.132 1.00 34.42 ? 95 LEU A HD21 1 +ATOM 1831 H HD22 . LEU A 1 105 ? -29.471 9.094 -5.862 1.00 34.42 ? 95 LEU A HD22 1 +ATOM 1832 H HD23 . LEU A 1 105 ? -27.960 8.905 -6.313 1.00 34.42 ? 95 LEU A HD23 1 +ATOM 1833 N N . ALA A 1 106 ? -25.521 12.917 -5.393 1.00 15.44 ? 96 ALA A N 1 +ATOM 1834 C CA . ALA A 1 106 ? -24.070 13.006 -5.255 1.00 16.00 ? 96 ALA A CA 1 +ATOM 1835 C C . ALA A 1 106 ? -23.652 13.971 -4.166 1.00 16.36 ? 96 ALA A C 1 +ATOM 1836 O O . ALA A 1 106 ? -22.719 13.688 -3.412 1.00 16.63 ? 96 ALA A O 1 +ATOM 1837 C CB . ALA A 1 106 ? -23.449 13.466 -6.588 1.00 14.84 ? 96 ALA A CB 1 +ATOM 1838 H H . ALA A 1 106 ? -25.836 13.160 -6.156 1.00 18.53 ? 96 ALA A H 1 +ATOM 1839 H HA . ALA A 1 106 ? -23.743 12.122 -5.024 1.00 19.21 ? 96 ALA A HA 1 +ATOM 1840 H HB1 . ALA A 1 106 ? -22.520 13.703 -6.439 1.00 17.81 ? 96 ALA A HB1 1 +ATOM 1841 H HB2 . ALA A 1 106 ? -23.506 12.742 -7.230 1.00 17.81 ? 96 ALA A HB2 1 +ATOM 1842 H HB3 . ALA A 1 106 ? -23.938 14.238 -6.915 1.00 17.81 ? 96 ALA A HB3 1 +ATOM 1843 N N . VAL A 1 107 ? -24.341 15.124 -4.074 1.00 16.46 ? 97 VAL A N 1 +ATOM 1844 C CA . VAL A 1 107 ? -24.052 16.077 -2.997 1.00 16.86 ? 97 VAL A CA 1 +ATOM 1845 C C . VAL A 1 107 ? -24.272 15.430 -1.641 1.00 18.03 ? 97 VAL A C 1 +ATOM 1846 O O . VAL A 1 107 ? -23.455 15.596 -0.741 1.00 18.63 ? 97 VAL A O 1 +ATOM 1847 C CB . VAL A 1 107 ? -24.883 17.332 -3.232 1.00 16.98 ? 97 VAL A CB 1 +ATOM 1848 C CG1 . VAL A 1 107 ? -24.796 18.309 -2.072 1.00 20.67 ? 97 VAL A CG1 1 +ATOM 1849 C CG2 . VAL A 1 107 ? -24.490 18.031 -4.520 1.00 18.41 ? 97 VAL A CG2 1 +ATOM 1850 H H . VAL A 1 107 ? -24.965 15.369 -4.613 1.00 19.75 ? 97 VAL A H 1 +ATOM 1851 H HA . VAL A 1 107 ? -23.118 16.338 -3.009 1.00 20.24 ? 97 VAL A HA 1 +ATOM 1852 H HB . VAL A 1 107 ? -25.804 17.040 -3.306 1.00 20.38 ? 97 VAL A HB 1 +ATOM 1853 H HG11 . VAL A 1 107 ? -25.220 19.143 -2.329 1.00 24.80 ? 97 VAL A HG11 1 +ATOM 1854 H HG12 . VAL A 1 107 ? -25.251 17.929 -1.304 1.00 24.80 ? 97 VAL A HG12 1 +ATOM 1855 H HG13 . VAL A 1 107 ? -23.862 18.465 -1.860 1.00 24.80 ? 97 VAL A HG13 1 +ATOM 1856 H HG21 . VAL A 1 107 ? -25.000 18.853 -4.602 1.00 22.09 ? 97 VAL A HG21 1 +ATOM 1857 H HG22 . VAL A 1 107 ? -23.541 18.232 -4.493 1.00 22.09 ? 97 VAL A HG22 1 +ATOM 1858 H HG23 . VAL A 1 107 ? -24.683 17.446 -5.269 1.00 22.09 ? 97 VAL A HG23 1 +ATOM 1859 N N . GLN A 1 108 ? -25.355 14.658 -1.505 1.00 18.27 ? 98 GLN A N 1 +ATOM 1860 C CA . GLN A 1 108 ? -25.642 13.987 -0.235 1.00 18.74 ? 98 GLN A CA 1 +ATOM 1861 C C . GLN A 1 108 ? -24.575 12.951 0.071 1.00 18.55 ? 98 GLN A C 1 +ATOM 1862 O O . GLN A 1 108 ? -24.306 12.694 1.253 1.00 20.90 ? 98 GLN A O 1 +ATOM 1863 C CB . GLN A 1 108 ? -27.027 13.400 -0.304 1.00 19.10 ? 98 GLN A CB 1 +ATOM 1864 C CG . GLN A 1 108 ? -28.065 14.512 -0.226 1.00 19.98 ? 98 GLN A CG 1 +ATOM 1865 C CD . GLN A 1 108 ? -29.493 14.093 -0.449 1.00 24.26 ? 98 GLN A CD 1 +ATOM 1866 O OE1 . GLN A 1 108 ? -29.771 12.970 -0.858 1.00 25.89 ? 98 GLN A OE1 1 +ATOM 1867 N NE2 . GLN A 1 108 ? -30.428 15.004 -0.171 1.00 23.13 ? 98 GLN A NE2 1 +ATOM 1868 H H . GLN A 1 108 ? -25.932 14.507 -2.125 1.00 21.93 ? 98 GLN A H 1 +ATOM 1869 H HA . GLN A 1 108 ? -25.634 14.616 0.504 1.00 22.48 ? 98 GLN A HA 1 +ATOM 1870 H HB2 . GLN A 1 108 ? -27.140 12.927 -1.143 1.00 22.93 ? 98 GLN A HB2 1 +ATOM 1871 H HB3 . GLN A 1 108 ? -27.163 12.793 0.440 1.00 22.93 ? 98 GLN A HB3 1 +ATOM 1872 H HG2 . GLN A 1 108 ? -28.018 14.910 0.657 1.00 23.98 ? 98 GLN A HG2 1 +ATOM 1873 H HG3 . GLN A 1 108 ? -27.852 15.175 -0.901 1.00 23.98 ? 98 GLN A HG3 1 +ATOM 1874 H HE21 . GLN A 1 108 ? -30.198 15.780 0.119 1.00 27.76 ? 98 GLN A HE21 1 +ATOM 1875 H HE22 . GLN A 1 108 ? -31.259 14.815 -0.281 1.00 27.76 ? 98 GLN A HE22 1 +ATOM 1876 N N . PHE A 1 109 ? -24.049 12.262 -0.922 1.00 19.14 ? 99 PHE A N 1 +ATOM 1877 C CA . PHE A 1 109 ? -22.950 11.330 -0.751 1.00 19.16 ? 99 PHE A CA 1 +ATOM 1878 C C . PHE A 1 109 ? -21.632 12.002 -0.480 1.00 20.68 ? 99 PHE A C 1 +ATOM 1879 O O . PHE A 1 109 ? -20.646 11.312 -0.205 1.00 23.33 ? 99 PHE A O 1 +ATOM 1880 C CB . PHE A 1 109 ? -22.811 10.436 -1.999 1.00 18.38 ? 99 PHE A CB 1 +ATOM 1881 C CG . PHE A 1 109 ? -23.651 9.193 -2.000 1.00 20.54 ? 99 PHE A CG 1 +ATOM 1882 C CD1 . PHE A 1 109 ? -24.975 9.224 -2.318 1.00 26.44 ? 99 PHE A CD1 1 +ATOM 1883 C CD2 . PHE A 1 109 ? -23.082 7.959 -1.744 1.00 25.82 ? 99 PHE A CD2 1 +ATOM 1884 C CE1 . PHE A 1 109 ? -25.751 8.051 -2.354 1.00 27.25 ? 99 PHE A CE1 1 +ATOM 1885 C CE2 . PHE A 1 109 ? -23.848 6.794 -1.781 1.00 29.92 ? 99 PHE A CE2 1 +ATOM 1886 C CZ . PHE A 1 109 ? -25.183 6.849 -2.083 1.00 23.96 ? 99 PHE A CZ 1 +ATOM 1887 H H . PHE A 1 109 ? -24.320 12.315 -1.737 1.00 22.97 ? 99 PHE A H 1 +ATOM 1888 H HA . PHE A 1 109 ? -23.157 10.766 0.010 1.00 23.00 ? 99 PHE A HA 1 +ATOM 1889 H HB2 . PHE A 1 109 ? -23.065 10.957 -2.777 1.00 22.05 ? 99 PHE A HB2 1 +ATOM 1890 H HB3 . PHE A 1 109 ? -21.884 10.158 -2.074 1.00 22.05 ? 99 PHE A HB3 1 +ATOM 1891 H HD1 . PHE A 1 109 ? -25.375 10.039 -2.517 1.00 31.73 ? 99 PHE A HD1 1 +ATOM 1892 H HD2 . PHE A 1 109 ? -22.175 7.904 -1.546 1.00 30.99 ? 99 PHE A HD2 1 +ATOM 1893 H HE1 . PHE A 1 109 ? -26.655 8.100 -2.564 1.00 32.69 ? 99 PHE A HE1 1 +ATOM 1894 H HE2 . PHE A 1 109 ? -23.450 5.974 -1.598 1.00 35.91 ? 99 PHE A HE2 1 +ATOM 1895 H HZ . PHE A 1 109 ? -25.694 6.072 -2.103 1.00 28.76 ? 99 PHE A HZ 1 +ATOM 1896 N N . GLY A 1 110 ? -21.568 13.337 -0.568 1.00 20.14 ? 100 GLY A N 1 +ATOM 1897 C CA . GLY A 1 110 ? -20.394 14.085 -0.178 1.00 20.48 ? 100 GLY A CA 1 +ATOM 1898 C C . GLY A 1 110 ? -19.597 14.761 -1.272 1.00 20.13 ? 100 GLY A C 1 +ATOM 1899 O O . GLY A 1 110 ? -18.539 15.328 -0.989 1.00 21.86 ? 100 GLY A O 1 +ATOM 1900 H H . GLY A 1 110 ? -22.210 13.830 -0.858 1.00 24.16 ? 100 GLY A H 1 +ATOM 1901 H HA2 . GLY A 1 110 ? -20.673 14.779 0.440 1.00 24.58 ? 100 GLY A HA2 1 +ATOM 1902 H HA3 . GLY A 1 110 ? -19.791 13.478 0.280 1.00 24.58 ? 100 GLY A HA3 1 +ATOM 1903 N N . ALA A 1 111 ? -20.005 14.675 -2.560 1.00 19.63 ? 101 ALA A N 1 +ATOM 1904 C CA . ALA A 1 111 ? -19.303 15.392 -3.622 1.00 18.21 ? 101 ALA A CA 1 +ATOM 1905 C C . ALA A 1 111 ? -19.462 16.889 -3.410 1.00 16.30 ? 101 ALA A C 1 +ATOM 1906 O O . ALA A 1 111 ? -20.561 17.382 -3.225 1.00 19.70 ? 101 ALA A O 1 +ATOM 1907 C CB . ALA A 1 111 ? -19.892 15.002 -4.973 1.00 21.16 ? 101 ALA A CB 1 +ATOM 1908 H H . ALA A 1 111 ? -20.678 14.212 -2.829 1.00 23.55 ? 101 ALA A H 1 +ATOM 1909 H HA . ALA A 1 111 ? -18.359 15.167 -3.613 1.00 21.85 ? 101 ALA A HA 1 +ATOM 1910 H HB1 . ALA A 1 111 ? -19.428 15.487 -5.673 1.00 25.40 ? 101 ALA A HB1 1 +ATOM 1911 H HB2 . ALA A 1 111 ? -19.780 14.047 -5.103 1.00 25.40 ? 101 ALA A HB2 1 +ATOM 1912 H HB3 . ALA A 1 111 ? -20.835 15.228 -4.984 1.00 25.40 ? 101 ALA A HB3 1 +ATOM 1913 N N . LYS A 1 112 ? -18.339 17.596 -3.546 1.00 15.96 ? 102 LYS A N 1 +ATOM 1914 C CA . LYS A 1 112 ? -18.362 19.051 -3.390 1.00 16.22 ? 102 LYS A CA 1 +ATOM 1915 C C . LYS A 1 112 ? -18.310 19.818 -4.695 1.00 14.89 ? 102 LYS A C 1 +ATOM 1916 O O . LYS A 1 112 ? -18.438 21.064 -4.682 1.00 15.68 ? 102 LYS A O 1 +ATOM 1917 C CB . LYS A 1 112 ? -17.237 19.490 -2.461 1.00 17.91 ? 102 LYS A CB 1 +ATOM 1918 C CG . LYS A 1 112 ? -17.488 18.882 -1.023 1.00 22.19 ? 102 LYS A CG 1 +ATOM 1919 C CD . LYS A 1 112 ? -16.602 19.533 0.016 1.00 29.85 ? 102 LYS A CD 1 +ATOM 1920 C CE . LYS A 1 112 ? -17.034 19.130 1.469 1.00 36.89 ? 102 LYS A CE 1 +ATOM 1921 N NZ . LYS A 1 112 ? -17.071 17.667 1.653 1.00 87.05 ? 102 LYS A NZ 1 +ATOM 1922 H H . LYS A 1 112 ? -17.567 17.262 -3.725 1.00 19.15 ? 102 LYS A H 1 +ATOM 1923 H HA . LYS A 1 112 ? -19.200 19.304 -2.971 1.00 19.46 ? 102 LYS A HA 1 +ATOM 1924 H HB2 . LYS A 1 112 ? -16.387 19.165 -2.797 1.00 21.49 ? 102 LYS A HB2 1 +ATOM 1925 H HB3 . LYS A 1 112 ? -17.221 20.457 -2.396 1.00 21.49 ? 102 LYS A HB3 1 +ATOM 1926 H HG2 . LYS A 1 112 ? -18.412 19.028 -0.769 1.00 26.63 ? 102 LYS A HG2 1 +ATOM 1927 H HG3 . LYS A 1 112 ? -17.293 17.932 -1.037 1.00 26.63 ? 102 LYS A HG3 1 +ATOM 1928 H HD2 . LYS A 1 112 ? -15.684 19.249 -0.120 1.00 35.81 ? 102 LYS A HD2 1 +ATOM 1929 H HD3 . LYS A 1 112 ? -16.665 20.498 -0.066 1.00 35.81 ? 102 LYS A HD3 1 +ATOM 1930 H HE2 . LYS A 1 112 ? -16.401 19.499 2.104 1.00 44.27 ? 102 LYS A HE2 1 +ATOM 1931 H HE3 . LYS A 1 112 ? -17.922 19.479 1.645 1.00 44.27 ? 102 LYS A HE3 1 +ATOM 1932 H HZ1 . LYS A 1 112 ? -17.643 17.301 1.078 1.00 104.47 ? 102 LYS A HZ1 1 +ATOM 1933 H HZ2 . LYS A 1 112 ? -16.262 17.322 1.515 1.00 104.47 ? 102 LYS A HZ2 1 +ATOM 1934 H HZ3 . LYS A 1 112 ? -17.330 17.471 2.482 1.00 104.47 ? 102 LYS A HZ3 1 +ATOM 1935 N N . THR A 1 113 ? -18.147 19.102 -5.800 1.00 13.98 ? 103 THR A N 1 +ATOM 1936 C CA . THR A 1 113 ? -18.277 19.636 -7.141 1.00 13.19 ? 103 THR A CA 1 +ATOM 1937 C C . THR A 1 113 ? -19.093 18.639 -7.935 1.00 12.81 ? 103 THR A C 1 +ATOM 1938 O O . THR A 1 113 ? -18.889 17.436 -7.841 1.00 13.78 ? 103 THR A O 1 +ATOM 1939 C CB . THR A 1 113 ? -16.914 19.774 -7.834 1.00 13.09 ? 103 THR A CB 1 +ATOM 1940 O OG1 . THR A 1 113 ? -16.083 20.701 -7.143 1.00 14.76 ? 103 THR A OG1 1 +ATOM 1941 C CG2 . THR A 1 113 ? -17.037 20.292 -9.259 1.00 14.76 ? 103 THR A CG2 1 +ATOM 1942 H H . THR A 1 113 ? -17.953 18.264 -5.795 1.00 16.77 ? 103 THR A H 1 +ATOM 1943 H HA . THR A 1 113 ? -18.704 20.507 -7.112 1.00 15.82 ? 103 THR A HA 1 +ATOM 1944 H HB . THR A 1 113 ? -16.522 18.887 -7.841 1.00 15.71 ? 103 THR A HB 1 +ATOM 1945 H HG1 . THR A 1 113 ? -15.928 20.424 -6.365 1.00 17.72 ? 103 THR A HG1 1 +ATOM 1946 H HG21 . THR A 1 113 ? -16.162 20.532 -9.601 1.00 17.71 ? 103 THR A HG21 1 +ATOM 1947 H HG22 . THR A 1 113 ? -17.422 19.607 -9.829 1.00 17.71 ? 103 THR A HG22 1 +ATOM 1948 H HG23 . THR A 1 113 ? -17.609 21.075 -9.279 1.00 17.71 ? 103 THR A HG23 1 +ATOM 1949 N N . ILE A 1 114 ? -20.011 19.156 -8.745 1.00 13.08 ? 104 ILE A N 1 +ATOM 1950 C CA . ILE A 1 114 ? -20.727 18.394 -9.758 1.00 13.61 ? 104 ILE A CA 1 +ATOM 1951 C C . ILE A 1 114 ? -20.203 18.828 -11.121 1.00 12.80 ? 104 ILE A C 1 +ATOM 1952 O O . ILE A 1 114 ? -20.152 20.037 -11.415 1.00 13.46 ? 104 ILE A O 1 +ATOM 1953 C CB . ILE A 1 114 ? -22.234 18.629 -9.687 1.00 14.20 ? 104 ILE A CB 1 +ATOM 1954 C CG1 . ILE A 1 114 ? -22.779 18.297 -8.312 1.00 16.81 ? 104 ILE A CG1 1 +ATOM 1955 C CG2 . ILE A 1 114 ? -22.953 17.853 -10.797 1.00 15.44 ? 104 ILE A CG2 1 +ATOM 1956 C CD1 . ILE A 1 114 ? -22.628 16.865 -7.898 1.00 15.82 ? 104 ILE A CD1 1 +ATOM 1957 H H . ILE A 1 114 ? -20.245 19.983 -8.724 1.00 15.70 ? 104 ILE A H 1 +ATOM 1958 H HA . ILE A 1 114 ? -20.552 17.449 -9.624 1.00 16.33 ? 104 ILE A HA 1 +ATOM 1959 H HB . ILE A 1 114 ? -22.402 19.573 -9.832 1.00 17.04 ? 104 ILE A HB 1 +ATOM 1960 H HG12 . ILE A 1 114 ? -22.312 18.839 -7.658 1.00 20.17 ? 104 ILE A HG12 1 +ATOM 1961 H HG13 . ILE A 1 114 ? -23.727 18.505 -8.299 1.00 20.17 ? 104 ILE A HG13 1 +ATOM 1962 H HG21 . ILE A 1 114 ? -23.906 17.849 -10.614 1.00 18.53 ? 104 ILE A HG21 1 +ATOM 1963 H HG22 . ILE A 1 114 ? -22.782 18.288 -11.648 1.00 18.53 ? 104 ILE A HG22 1 +ATOM 1964 H HG23 . ILE A 1 114 ? -22.616 16.944 -10.817 1.00 18.53 ? 104 ILE A HG23 1 +ATOM 1965 H HD11 . ILE A 1 114 ? -23.050 16.740 -7.034 1.00 18.98 ? 104 ILE A HD11 1 +ATOM 1966 H HD12 . ILE A 1 114 ? -23.056 16.299 -8.560 1.00 18.98 ? 104 ILE A HD12 1 +ATOM 1967 H HD13 . ILE A 1 114 ? -21.684 16.651 -7.840 1.00 18.98 ? 104 ILE A HD13 1 +ATOM 1968 N N . VAL A 1 115 ? -19.837 17.852 -11.934 1.00 12.77 ? 105 VAL A N 1 +ATOM 1969 C CA . VAL A 1 115 ? -19.363 18.063 -13.323 1.00 12.82 ? 105 VAL A CA 1 +ATOM 1970 C C . VAL A 1 115 ? -20.460 17.593 -14.247 1.00 13.05 ? 105 VAL A C 1 +ATOM 1971 O O . VAL A 1 115 ? -20.880 16.447 -14.172 1.00 14.67 ? 105 VAL A O 1 +ATOM 1972 C CB . VAL A 1 115 ? -18.090 17.272 -13.601 1.00 11.95 ? 105 VAL A CB 1 +ATOM 1973 C CG1 . VAL A 1 115 ? -17.596 17.570 -15.017 1.00 14.34 ? 105 VAL A CG1 1 +ATOM 1974 C CG2 . VAL A 1 115 ? -16.990 17.586 -12.616 1.00 14.13 ? 105 VAL A CG2 1 +ATOM 1975 H H . VAL A 1 115 ? -19.848 17.022 -11.709 1.00 15.32 ? 105 VAL A H 1 +ATOM 1976 H HA . VAL A 1 115 ? -19.194 19.007 -13.467 1.00 15.38 ? 105 VAL A HA 1 +ATOM 1977 H HB . VAL A 1 115 ? -18.304 16.331 -13.509 1.00 14.34 ? 105 VAL A HB 1 +ATOM 1978 H HG11 . VAL A 1 115 ? -16.705 17.202 -15.125 1.00 17.21 ? 105 VAL A HG11 1 +ATOM 1979 H HG12 . VAL A 1 115 ? -18.202 17.161 -15.655 1.00 17.21 ? 105 VAL A HG12 1 +ATOM 1980 H HG13 . VAL A 1 115 ? -17.576 18.530 -15.149 1.00 17.21 ? 105 VAL A HG13 1 +ATOM 1981 H HG21 . VAL A 1 115 ? -16.265 16.955 -12.741 1.00 16.95 ? 105 VAL A HG21 1 +ATOM 1982 H HG22 . VAL A 1 115 ? -16.674 18.489 -12.774 1.00 16.95 ? 105 VAL A HG22 1 +ATOM 1983 H HG23 . VAL A 1 115 ? -17.342 17.511 -11.715 1.00 16.95 ? 105 VAL A HG23 1 +ATOM 1984 N N . LEU A 1 116 ? -20.960 18.492 -15.086 1.00 12.48 ? 106 LEU A N 1 +ATOM 1985 C CA . LEU A 1 116 ? -21.943 18.126 -16.114 1.00 12.64 ? 106 LEU A CA 1 +ATOM 1986 C C . LEU A 1 116 ? -21.177 18.025 -17.439 1.00 12.87 ? 106 LEU A C 1 +ATOM 1987 O O . LEU A 1 116 ? -20.604 19.026 -17.876 1.00 13.06 ? 106 LEU A O 1 +ATOM 1988 C CB . LEU A 1 116 ? -23.036 19.159 -16.206 1.00 13.39 ? 106 LEU A CB 1 +ATOM 1989 C CG . LEU A 1 116 ? -23.807 19.411 -14.887 1.00 14.35 ? 106 LEU A CG 1 +ATOM 1990 C CD1 . LEU A 1 116 ? -24.824 20.505 -15.138 1.00 17.73 ? 106 LEU A CD1 1 +ATOM 1991 C CD2 . LEU A 1 116 ? -24.475 18.144 -14.418 1.00 16.07 ? 106 LEU A CD2 1 +ATOM 1992 H H . LEU A 1 116 ? -20.748 19.325 -15.083 1.00 14.98 ? 106 LEU A H 1 +ATOM 1993 H HA . LEU A 1 116 ? -22.364 17.276 -15.908 1.00 15.17 ? 106 LEU A HA 1 +ATOM 1994 H HB2 . LEU A 1 116 ? -22.639 20.001 -16.478 1.00 16.06 ? 106 LEU A HB2 1 +ATOM 1995 H HB3 . LEU A 1 116 ? -23.680 18.866 -16.869 1.00 16.06 ? 106 LEU A HB3 1 +ATOM 1996 H HG . LEU A 1 116 ? -23.203 19.689 -14.181 1.00 17.22 ? 106 LEU A HG 1 +ATOM 1997 H HD11 . LEU A 1 116 ? -25.312 20.677 -14.318 1.00 21.28 ? 106 LEU A HD11 1 +ATOM 1998 H HD12 . LEU A 1 116 ? -24.360 21.309 -15.421 1.00 21.28 ? 106 LEU A HD12 1 +ATOM 1999 H HD13 . LEU A 1 116 ? -25.436 20.214 -15.832 1.00 21.28 ? 106 LEU A HD13 1 +ATOM 2000 H HD21 . LEU A 1 116 ? -25.064 18.354 -13.676 1.00 19.28 ? 106 LEU A HD21 1 +ATOM 2001 H HD22 . LEU A 1 116 ? -24.987 17.767 -15.150 1.00 19.28 ? 106 LEU A HD22 1 +ATOM 2002 H HD23 . LEU A 1 116 ? -23.794 17.515 -14.132 1.00 19.28 ? 106 LEU A HD23 1 +ATOM 2003 N N . GLN A 1 117 ? -21.102 16.839 -17.999 1.00 12.20 ? 107 GLN A N 1 +ATOM 2004 C CA . GLN A 1 117 ? -20.397 16.613 -19.265 1.00 12.65 ? 107 GLN A CA 1 +ATOM 2005 C C . GLN A 1 117 ? -21.364 15.971 -20.235 1.00 12.44 ? 107 GLN A C 1 +ATOM 2006 O O . GLN A 1 117 ? -22.228 15.173 -19.866 1.00 13.26 ? 107 GLN A O 1 +ATOM 2007 C CB . GLN A 1 117 ? -19.168 15.733 -19.052 1.00 12.51 ? 107 GLN A CB 1 +ATOM 2008 C CG . GLN A 1 117 ? -18.257 15.708 -20.301 1.00 13.33 ? 107 GLN A CG 1 +ATOM 2009 C CD . GLN A 1 117 ? -17.039 14.862 -20.122 1.00 14.70 ? 107 GLN A CD 1 +ATOM 2010 O OE1 . GLN A 1 117 ? -17.104 13.634 -20.291 1.00 16.38 ? 107 GLN A OE1 1 +ATOM 2011 N NE2 . GLN A 1 117 ? -15.912 15.477 -19.813 1.00 13.98 ? 107 GLN A NE2 1 +ATOM 2012 H H . GLN A 1 117 ? -21.454 16.129 -17.668 1.00 14.64 ? 107 GLN A H 1 +ATOM 2013 H HA . GLN A 1 117 ? -20.087 17.448 -19.649 1.00 15.17 ? 107 GLN A HA 1 +ATOM 2014 H HB2 . GLN A 1 117 ? -18.653 16.078 -18.306 1.00 15.01 ? 107 GLN A HB2 1 +ATOM 2015 H HB3 . GLN A 1 117 ? -19.454 14.825 -18.866 1.00 15.01 ? 107 GLN A HB3 1 +ATOM 2016 H HG2 . GLN A 1 117 ? -18.759 15.353 -21.051 1.00 16.00 ? 107 GLN A HG2 1 +ATOM 2017 H HG3 . GLN A 1 117 ? -17.965 16.613 -20.496 1.00 16.00 ? 107 GLN A HG3 1 +ATOM 2018 H HE21 . GLN A 1 117 ? -15.899 16.332 -19.722 1.00 16.78 ? 107 GLN A HE21 1 +ATOM 2019 H HE22 . GLN A 1 117 ? -15.190 15.022 -19.702 1.00 16.78 ? 107 GLN A HE22 1 +ATOM 2020 N N . SER A 1 118 ? -21.204 16.320 -21.519 1.00 12.68 ? 108 SER A N 1 +ATOM 2021 C CA . SER A 1 118 ? -22.047 15.737 -22.550 1.00 13.60 ? 108 SER A CA 1 +ATOM 2022 C C . SER A 1 118 ? -21.337 15.803 -23.891 1.00 13.37 ? 108 SER A C 1 +ATOM 2023 O O . SER A 1 118 ? -20.369 16.531 -24.091 1.00 13.40 ? 108 SER A O 1 +ATOM 2024 C CB . SER A 1 118 ? -23.370 16.482 -22.639 1.00 13.97 ? 108 SER A CB 1 +ATOM 2025 O OG . SER A 1 118 ? -23.208 17.819 -22.981 1.00 14.77 ? 108 SER A OG 1 +ATOM 2026 H H . SER A 1 118 ? -20.621 16.883 -21.805 1.00 15.22 ? 108 SER A H 1 +ATOM 2027 H HA . SER A 1 118 ? -22.199 14.804 -22.332 1.00 16.32 ? 108 SER A HA 1 +ATOM 2028 H HB2 . SER A 1 118 ? -23.920 16.055 -23.314 1.00 16.76 ? 108 SER A HB2 1 +ATOM 2029 H HB3 . SER A 1 118 ? -23.809 16.435 -21.775 1.00 16.76 ? 108 SER A HB3 1 +ATOM 2030 H HG . SER A 1 118 ? -22.918 17.881 -23.767 1.00 17.73 ? 108 SER A HG 1 +ATOM 2031 N N . GLY A 1 119 ? -21.914 15.086 -24.847 1.00 13.33 ? 109 GLY A N 1 +ATOM 2032 C CA . GLY A 1 119 ? -21.678 15.434 -26.241 1.00 13.09 ? 109 GLY A CA 1 +ATOM 2033 C C . GLY A 1 119 ? -22.160 16.839 -26.514 1.00 14.04 ? 109 GLY A C 1 +ATOM 2034 O O . GLY A 1 119 ? -22.906 17.449 -25.740 1.00 13.31 ? 109 GLY A O 1 +ATOM 2035 H H . GLY A 1 119 ? -22.432 14.412 -24.719 1.00 16.00 ? 109 GLY A H 1 +ATOM 2036 H HA2 . GLY A 1 119 ? -20.729 15.383 -26.438 1.00 15.71 ? 109 GLY A HA2 1 +ATOM 2037 H HA3 . GLY A 1 119 ? -22.154 14.819 -26.820 1.00 15.71 ? 109 GLY A HA3 1 +ATOM 2038 N N . GLU A 1 120 ? -21.776 17.392 -27.660 1.00 13.75 ? 110 GLU A N 1 +ATOM 2039 C CA . GLU A 1 120 ? -22.276 18.693 -28.063 1.00 13.45 ? 110 GLU A CA 1 +ATOM 2040 C C . GLU A 1 120 ? -23.704 18.503 -28.568 1.00 14.77 ? 110 GLU A C 1 +ATOM 2041 O O . GLU A 1 120 ? -23.951 18.304 -29.770 1.00 15.41 ? 110 GLU A O 1 +ATOM 2042 C CB . GLU A 1 120 ? -21.378 19.309 -29.125 1.00 14.23 ? 110 GLU A CB 1 +ATOM 2043 C CG . GLU A 1 120 ? -20.036 19.747 -28.621 1.00 14.93 ? 110 GLU A CG 1 +ATOM 2044 C CD . GLU A 1 120 ? -19.290 20.711 -29.550 1.00 14.55 ? 110 GLU A CD 1 +ATOM 2045 O OE1 . GLU A 1 120 ? -19.896 21.129 -30.565 1.00 15.56 ? 110 GLU A OE1 1 +ATOM 2046 O OE2 . GLU A 1 120 ? -18.130 21.000 -29.247 1.00 15.58 ? 110 GLU A OE2 1 +ATOM 2047 H H . GLU A 1 120 ? -21.228 17.031 -28.217 1.00 16.50 ? 110 GLU A H 1 +ATOM 2048 H HA . GLU A 1 120 ? -22.292 19.291 -27.300 1.00 16.14 ? 110 GLU A HA 1 +ATOM 2049 H HB2 . GLU A 1 120 ? -21.230 18.653 -29.823 1.00 17.07 ? 110 GLU A HB2 1 +ATOM 2050 H HB3 . GLU A 1 120 ? -21.823 20.089 -29.491 1.00 17.07 ? 110 GLU A HB3 1 +ATOM 2051 H HG2 . GLU A 1 120 ? -20.157 20.196 -27.770 1.00 17.91 ? 110 GLU A HG2 1 +ATOM 2052 H HG3 . GLU A 1 120 ? -19.478 18.962 -28.505 1.00 17.91 ? 110 GLU A HG3 1 +ATOM 2053 N N . ASP A 1 121 ? -24.663 18.573 -27.633 1.00 14.65 ? 111 ASP A N 1 +ATOM 2054 C CA . ASP A 1 121 ? -26.062 18.225 -27.874 1.00 14.74 ? 111 ASP A CA 1 +ATOM 2055 C C . ASP A 1 121 ? -26.884 19.505 -27.890 1.00 16.49 ? 111 ASP A C 1 +ATOM 2056 O O . ASP A 1 121 ? -27.129 20.115 -26.845 1.00 15.77 ? 111 ASP A O 1 +ATOM 2057 C CB . ASP A 1 121 ? -26.570 17.284 -26.799 1.00 14.79 ? 111 ASP A CB 1 +ATOM 2058 C CG . ASP A 1 121 ? -28.012 16.911 -27.000 1.00 16.53 ? 111 ASP A CG 1 +ATOM 2059 O OD1 . ASP A 1 121 ? -28.700 17.493 -27.889 1.00 16.22 ? 111 ASP A OD1 1 +ATOM 2060 O OD2 . ASP A 1 121 ? -28.508 16.039 -26.280 1.00 15.68 ? 111 ASP A OD2 1 +ATOM 2061 H H . ASP A 1 121 ? -24.518 18.830 -26.825 1.00 17.58 ? 111 ASP A H 1 +ATOM 2062 H HA . ASP A 1 121 ? -26.147 17.780 -28.732 1.00 17.69 ? 111 ASP A HA 1 +ATOM 2063 H HB2 . ASP A 1 121 ? -26.043 16.470 -26.815 1.00 17.75 ? 111 ASP A HB2 1 +ATOM 2064 H HB3 . ASP A 1 121 ? -26.488 17.717 -25.935 1.00 17.75 ? 111 ASP A HB3 1 +ATOM 2065 N N . PRO A 1 122 ? -27.289 19.994 -29.082 1.00 15.75 ? 112 PRO A N 1 +ATOM 2066 C CA . PRO A 1 122 ? -27.978 21.275 -29.163 1.00 16.31 ? 112 PRO A CA 1 +ATOM 2067 C C . PRO A 1 122 ? -29.253 21.354 -28.382 1.00 17.19 ? 112 PRO A C 1 +ATOM 2068 O O . PRO A 1 122 ? -29.760 22.443 -28.114 1.00 17.55 ? 112 PRO A O 1 +ATOM 2069 C CB . PRO A 1 122 ? -28.195 21.427 -30.685 1.00 17.38 ? 112 PRO A CB 1 +ATOM 2070 C CG . PRO A 1 122 ? -27.151 20.599 -31.305 1.00 21.55 ? 112 PRO A CG 1 +ATOM 2071 C CD . PRO A 1 122 ? -27.012 19.401 -30.409 1.00 16.84 ? 112 PRO A CD 1 +ATOM 2072 H HA . PRO A 1 122 ? -27.405 21.990 -28.846 1.00 19.57 ? 112 PRO A HA 1 +ATOM 2073 H HB2 . PRO A 1 122 ? -29.079 21.107 -30.926 1.00 20.85 ? 112 PRO A HB2 1 +ATOM 2074 H HB3 . PRO A 1 122 ? -28.098 22.357 -30.941 1.00 20.85 ? 112 PRO A HB3 1 +ATOM 2075 H HG2 . PRO A 1 122 ? -27.426 20.334 -32.196 1.00 25.86 ? 112 PRO A HG2 1 +ATOM 2076 H HG3 . PRO A 1 122 ? -26.319 21.096 -31.348 1.00 25.86 ? 112 PRO A HG3 1 +ATOM 2077 H HD2 . PRO A 1 122 ? -27.662 18.717 -30.632 1.00 20.21 ? 112 PRO A HD2 1 +ATOM 2078 H HD3 . PRO A 1 122 ? -26.115 19.033 -30.450 1.00 20.21 ? 112 PRO A HD3 1 +ATOM 2079 N N . TYR A 1 123 ? -29.880 20.231 -28.015 1.00 16.21 ? 113 TYR A N 1 +ATOM 2080 C CA . TYR A 1 123 ? -31.145 20.297 -27.293 1.00 17.36 ? 113 TYR A CA 1 +ATOM 2081 C C . TYR A 1 123 ? -31.087 21.237 -26.093 1.00 16.04 ? 113 TYR A C 1 +ATOM 2082 O O . TYR A 1 123 ? -32.039 21.942 -25.785 1.00 17.76 ? 113 TYR A O 1 +ATOM 2083 C CB . TYR A 1 123 ? -31.607 18.903 -26.806 1.00 16.93 ? 113 TYR A CB 1 +ATOM 2084 C CG . TYR A 1 123 ? -32.848 18.983 -25.987 1.00 17.71 ? 113 TYR A CG 1 +ATOM 2085 C CD1 . TYR A 1 123 ? -34.102 19.036 -26.579 1.00 20.26 ? 113 TYR A CD1 1 +ATOM 2086 C CD2 . TYR A 1 123 ? -32.763 19.093 -24.604 1.00 17.93 ? 113 TYR A CD2 1 +ATOM 2087 C CE1 . TYR A 1 123 ? -35.236 19.162 -25.809 1.00 23.02 ? 113 TYR A CE1 1 +ATOM 2088 C CE2 . TYR A 1 123 ? -33.893 19.213 -23.844 1.00 20.55 ? 113 TYR A CE2 1 +ATOM 2089 C CZ . TYR A 1 123 ? -35.095 19.260 -24.455 1.00 20.76 ? 113 TYR A CZ 1 +ATOM 2090 O OH . TYR A 1 123 ? -36.265 19.397 -23.744 1.00 25.67 ? 113 TYR A OH 1 +ATOM 2091 H H . TYR A 1 123 ? -29.595 19.435 -28.169 1.00 19.46 ? 113 TYR A H 1 +ATOM 2092 H HA . TYR A 1 123 ? -31.796 20.632 -27.930 1.00 20.84 ? 113 TYR A HA 1 +ATOM 2093 H HB2 . TYR A 1 123 ? -31.786 18.340 -27.574 1.00 20.32 ? 113 TYR A HB2 1 +ATOM 2094 H HB3 . TYR A 1 123 ? -30.908 18.509 -26.261 1.00 20.32 ? 113 TYR A HB3 1 +ATOM 2095 H HD1 . TYR A 1 123 ? -34.177 18.987 -27.505 1.00 24.31 ? 113 TYR A HD1 1 +ATOM 2096 H HD2 . TYR A 1 123 ? -31.929 19.085 -24.191 1.00 21.51 ? 113 TYR A HD2 1 +ATOM 2097 H HE1 . TYR A 1 123 ? -36.079 19.179 -26.202 1.00 27.63 ? 113 TYR A HE1 1 +ATOM 2098 H HE2 . TYR A 1 123 ? -33.834 19.262 -22.918 1.00 24.66 ? 113 TYR A HE2 1 +ATOM 2099 H HH . TYR A 1 123 ? -36.095 19.487 -22.926 1.00 30.81 ? 113 TYR A HH 1 +ATOM 2100 N N . TYR A 1 124 ? -29.988 21.172 -25.344 1.00 15.72 ? 114 TYR A N 1 +ATOM 2101 C CA . TYR A 1 124 ? -29.925 21.795 -24.024 1.00 16.29 ? 114 TYR A CA 1 +ATOM 2102 C C . TYR A 1 124 ? -29.482 23.237 -24.064 1.00 17.53 ? 114 TYR A C 1 +ATOM 2103 O O . TYR A 1 124 ? -29.503 23.936 -23.035 1.00 17.82 ? 114 TYR A O 1 +ATOM 2104 C CB . TYR A 1 124 ? -28.936 21.021 -23.113 1.00 15.61 ? 114 TYR A CB 1 +ATOM 2105 C CG . TYR A 1 124 ? -29.356 19.614 -22.806 1.00 14.30 ? 114 TYR A CG 1 +ATOM 2106 C CD1 . TYR A 1 124 ? -29.015 18.567 -23.624 1.00 15.43 ? 114 TYR A CD1 1 +ATOM 2107 C CD2 . TYR A 1 124 ? -30.017 19.315 -21.624 1.00 16.05 ? 114 TYR A CD2 1 +ATOM 2108 C CE1 . TYR A 1 124 ? -29.375 17.285 -23.356 1.00 15.16 ? 114 TYR A CE1 1 +ATOM 2109 C CE2 . TYR A 1 124 ? -30.363 18.016 -21.329 1.00 16.03 ? 114 TYR A CE2 1 +ATOM 2110 C CZ . TYR A 1 124 ? -30.049 17.008 -22.186 1.00 15.52 ? 114 TYR A CZ 1 +ATOM 2111 O OH . TYR A 1 124 ? -30.330 15.695 -21.919 1.00 17.17 ? 114 TYR A OH 1 +ATOM 2112 H H . TYR A 1 124 ? -29.264 20.772 -25.579 1.00 18.86 ? 114 TYR A H 1 +ATOM 2113 H HA . TYR A 1 124 ? -30.812 21.754 -23.634 1.00 19.54 ? 114 TYR A HA 1 +ATOM 2114 H HB2 . TYR A 1 124 ? -28.074 20.981 -23.556 1.00 18.73 ? 114 TYR A HB2 1 +ATOM 2115 H HB3 . TYR A 1 124 ? -28.855 21.495 -22.271 1.00 18.73 ? 114 TYR A HB3 1 +ATOM 2116 H HD1 . TYR A 1 124 ? -28.518 18.742 -24.390 1.00 18.52 ? 114 TYR A HD1 1 +ATOM 2117 H HD2 . TYR A 1 124 ? -30.228 19.996 -21.027 1.00 19.26 ? 114 TYR A HD2 1 +ATOM 2118 H HE1 . TYR A 1 124 ? -29.169 16.603 -23.954 1.00 18.19 ? 114 TYR A HE1 1 +ATOM 2119 H HE2 . TYR A 1 124 ? -30.815 17.826 -20.539 1.00 19.24 ? 114 TYR A HE2 1 +ATOM 2120 H HH . TYR A 1 124 ? -30.745 15.632 -21.192 1.00 20.60 ? 114 TYR A HH 1 +ATOM 2121 N N . MET A 1 125 ? -29.059 23.721 -25.211 1.00 18.28 ? 115 MET A N 1 +ATOM 2122 C CA . MET A 1 125 ? -28.132 24.859 -25.255 1.00 18.49 ? 115 MET A CA 1 +ATOM 2123 C C . MET A 1 125 ? -28.874 26.105 -25.703 1.00 21.20 ? 115 MET A C 1 +ATOM 2124 O O . MET A 1 125 ? -29.493 26.071 -26.781 1.00 21.10 ? 115 MET A O 1 +ATOM 2125 C CB . MET A 1 125 ? -26.977 24.623 -26.209 1.00 18.29 ? 115 MET A CB 1 +ATOM 2126 C CG . MET A 1 125 ? -26.278 23.302 -26.019 1.00 16.72 ? 115 MET A CG 1 +ATOM 2127 S SD . MET A 1 125 ? -25.729 23.013 -24.343 1.00 18.06 ? 115 MET A SD 1 +ATOM 2128 C CE . MET A 1 125 ? -24.923 21.481 -24.586 1.00 18.06 ? 115 MET A CE 1 +ATOM 2129 H H . MET A 1 125 ? -29.286 23.417 -25.982 1.00 21.94 ? 115 MET A H 1 +ATOM 2130 H HA . MET A 1 125 ? -27.762 24.973 -24.365 1.00 22.19 ? 115 MET A HA 1 +ATOM 2131 H HB2 . MET A 1 125 ? -27.316 24.648 -27.117 1.00 21.95 ? 115 MET A HB2 1 +ATOM 2132 H HB3 . MET A 1 125 ? -26.320 25.325 -26.080 1.00 21.95 ? 115 MET A HB3 1 +ATOM 2133 H HG2 . MET A 1 125 ? -26.890 22.588 -26.257 1.00 20.06 ? 115 MET A HG2 1 +ATOM 2134 H HG3 . MET A 1 125 ? -25.498 23.276 -26.595 1.00 20.06 ? 115 MET A HG3 1 +ATOM 2135 H HE1 . MET A 1 125 ? -24.590 21.160 -23.733 1.00 21.67 ? 115 MET A HE1 1 +ATOM 2136 H HE2 . MET A 1 125 ? -25.558 20.846 -24.953 1.00 21.67 ? 115 MET A HE2 1 +ATOM 2137 H HE3 . MET A 1 125 ? -24.186 21.606 -25.203 1.00 21.67 ? 115 MET A HE3 1 +ATOM 2138 N N . PRO A 1 126 ? -28.848 27.242 -24.972 1.00 18.85 ? 116 PRO A N 1 +ATOM 2139 C CA . PRO A 1 126 ? -28.198 27.417 -23.659 1.00 19.25 ? 116 PRO A CA 1 +ATOM 2140 C C . PRO A 1 126 ? -29.114 27.275 -22.473 1.00 18.86 ? 116 PRO A C 1 +ATOM 2141 O O . PRO A 1 126 ? -28.591 27.163 -21.358 1.00 17.76 ? 116 PRO A O 1 +ATOM 2142 C CB . PRO A 1 126 ? -27.734 28.885 -23.739 1.00 20.32 ? 116 PRO A CB 1 +ATOM 2143 C CG . PRO A 1 126 ? -28.788 29.584 -24.541 1.00 21.89 ? 116 PRO A CG 1 +ATOM 2144 C CD . PRO A 1 126 ? -29.257 28.548 -25.540 1.00 20.64 ? 116 PRO A CD 1 +ATOM 2145 H HA . PRO A 1 126 ? -27.467 26.786 -23.570 1.00 23.10 ? 116 PRO A HA 1 +ATOM 2146 H HB2 . PRO A 1 126 ? -27.671 29.261 -22.847 1.00 24.38 ? 116 PRO A HB2 1 +ATOM 2147 H HB3 . PRO A 1 126 ? -26.872 28.935 -24.181 1.00 24.38 ? 116 PRO A HB3 1 +ATOM 2148 H HG2 . PRO A 1 126 ? -29.515 29.864 -23.962 1.00 26.27 ? 116 PRO A HG2 1 +ATOM 2149 H HG3 . PRO A 1 126 ? -28.407 30.355 -24.991 1.00 26.27 ? 116 PRO A HG3 1 +ATOM 2150 H HD2 . PRO A 1 126 ? -30.222 28.585 -25.638 1.00 24.76 ? 116 PRO A HD2 1 +ATOM 2151 H HD3 . PRO A 1 126 ? -28.831 28.690 -26.400 1.00 24.76 ? 116 PRO A HD3 1 +ATOM 2152 N N . ASP A 1 127 ? -30.407 27.380 -22.618 1.00 18.94 ? 117 ASP A N 1 +ATOM 2153 C CA . ASP A 1 127 ? -31.258 27.710 -21.491 1.00 19.75 ? 117 ASP A CA 1 +ATOM 2154 C C . ASP A 1 127 ? -31.505 26.513 -20.584 1.00 18.99 ? 117 ASP A C 1 +ATOM 2155 O O . ASP A 1 127 ? -31.697 26.690 -19.378 1.00 20.40 ? 117 ASP A O 1 +ATOM 2156 C CB . ASP A 1 127 ? -32.604 28.267 -21.960 1.00 23.81 ? 117 ASP A CB 1 +ATOM 2157 C CG . ASP A 1 127 ? -32.460 29.595 -22.670 1.00 27.12 ? 117 ASP A CG 1 +ATOM 2158 O OD1 . ASP A 1 127 ? -31.499 30.356 -22.405 1.00 26.44 ? 117 ASP A OD1 1 +ATOM 2159 O OD2 . ASP A 1 127 ? -33.327 29.924 -23.519 1.00 33.63 ? 117 ASP A OD2 1 +ATOM 2160 H H . ASP A 1 127 ? -30.827 27.267 -23.360 1.00 22.73 ? 117 ASP A H 1 +ATOM 2161 H HA . ASP A 1 127 ? -30.809 28.402 -20.980 1.00 23.69 ? 117 ASP A HA 1 +ATOM 2162 H HB2 . ASP A 1 127 ? -33.011 27.638 -22.576 1.00 28.57 ? 117 ASP A HB2 1 +ATOM 2163 H HB3 . ASP A 1 127 ? -33.180 28.398 -21.190 1.00 28.57 ? 117 ASP A HB3 1 +ATOM 2164 N N . VAL A 1 128 ? -31.536 25.292 -21.111 1.00 18.95 ? 118 VAL A N 1 +ATOM 2165 C CA . VAL A 1 128 ? -31.775 24.143 -20.252 1.00 18.63 ? 118 VAL A CA 1 +ATOM 2166 C C . VAL A 1 128 ? -30.578 23.980 -19.309 1.00 18.64 ? 118 VAL A C 1 +ATOM 2167 O O . VAL A 1 128 ? -30.745 23.726 -18.103 1.00 17.85 ? 118 VAL A O 1 +ATOM 2168 C CB . VAL A 1 128 ? -32.042 22.856 -21.040 1.00 19.76 ? 118 VAL A CB 1 +ATOM 2169 C CG1 . VAL A 1 128 ? -32.447 21.737 -20.118 1.00 20.84 ? 118 VAL A CG1 1 +ATOM 2170 C CG2 . VAL A 1 128 ? -33.150 23.053 -22.110 1.00 21.88 ? 118 VAL A CG2 1 +ATOM 2171 H H . VAL A 1 128 ? -31.425 25.108 -21.944 1.00 22.74 ? 118 VAL A H 1 +ATOM 2172 H HA . VAL A 1 128 ? -32.583 24.313 -19.743 1.00 22.36 ? 118 VAL A HA 1 +ATOM 2173 H HB . VAL A 1 128 ? -31.216 22.623 -21.492 1.00 23.71 ? 118 VAL A HB 1 +ATOM 2174 H HG11 . VAL A 1 128 ? -32.702 20.966 -20.649 1.00 25.00 ? 118 VAL A HG11 1 +ATOM 2175 H HG12 . VAL A 1 128 ? -31.697 21.511 -19.546 1.00 25.00 ? 118 VAL A HG12 1 +ATOM 2176 H HG13 . VAL A 1 128 ? -33.199 22.029 -19.578 1.00 25.00 ? 118 VAL A HG13 1 +ATOM 2177 H HG21 . VAL A 1 128 ? -33.316 22.206 -22.552 1.00 26.26 ? 118 VAL A HG21 1 +ATOM 2178 H HG22 . VAL A 1 128 ? -33.960 23.362 -21.673 1.00 26.26 ? 118 VAL A HG22 1 +ATOM 2179 H HG23 . VAL A 1 128 ? -32.852 23.711 -22.757 1.00 26.26 ? 118 VAL A HG23 1 +ATOM 2180 N N . ILE A 1 129 ? -29.363 24.141 -19.826 1.00 16.04 ? 119 ILE A N 1 +ATOM 2181 C CA . ILE A 1 129 ? -28.160 24.112 -18.982 1.00 16.29 ? 119 ILE A CA 1 +ATOM 2182 C C . ILE A 1 129 ? -28.243 25.182 -17.917 1.00 15.88 ? 119 ILE A C 1 +ATOM 2183 O O . ILE A 1 129 ? -27.981 24.904 -16.737 1.00 15.79 ? 119 ILE A O 1 +ATOM 2184 C CB . ILE A 1 129 ? -26.903 24.344 -19.833 1.00 16.22 ? 119 ILE A CB 1 +ATOM 2185 C CG1 . ILE A 1 129 ? -26.707 23.256 -20.891 1.00 16.97 ? 119 ILE A CG1 1 +ATOM 2186 C CG2 . ILE A 1 129 ? -25.667 24.489 -18.964 1.00 14.94 ? 119 ILE A CG2 1 +ATOM 2187 C CD1 . ILE A 1 129 ? -26.678 21.857 -20.357 1.00 18.29 ? 119 ILE A CD1 1 +ATOM 2188 H H . ILE A 1 129 ? -29.201 24.269 -20.661 1.00 19.25 ? 119 ILE A H 1 +ATOM 2189 H HA . ILE A 1 129 ? -28.112 23.239 -18.563 1.00 19.55 ? 119 ILE A HA 1 +ATOM 2190 H HB . ILE A 1 129 ? -27.043 25.179 -20.307 1.00 19.47 ? 119 ILE A HB 1 +ATOM 2191 H HG12 . ILE A 1 129 ? -27.437 23.310 -21.528 1.00 20.36 ? 119 ILE A HG12 1 +ATOM 2192 H HG13 . ILE A 1 129 ? -25.862 23.414 -21.341 1.00 20.36 ? 119 ILE A HG13 1 +ATOM 2193 H HG21 . ILE A 1 129 ? -24.878 24.338 -19.509 1.00 17.93 ? 119 ILE A HG21 1 +ATOM 2194 H HG22 . ILE A 1 129 ? -25.645 25.385 -18.592 1.00 17.93 ? 119 ILE A HG22 1 +ATOM 2195 H HG23 . ILE A 1 129 ? -25.704 23.835 -18.249 1.00 17.93 ? 119 ILE A HG23 1 +ATOM 2196 H HD11 . ILE A 1 129 ? -26.396 21.255 -21.063 1.00 21.95 ? 119 ILE A HD11 1 +ATOM 2197 H HD12 . ILE A 1 129 ? -26.052 21.814 -19.617 1.00 21.95 ? 119 ILE A HD12 1 +ATOM 2198 H HD13 . ILE A 1 129 ? -27.567 21.617 -20.053 1.00 21.95 ? 119 ILE A HD13 1 +ATOM 2199 N N . SER A 1 130 ? -28.621 26.410 -18.268 1.00 16.30 ? 120 SER A N 1 +ATOM 2200 C CA . SER A 1 130 ? -28.699 27.469 -17.257 1.00 15.71 ? 120 SER A CA 1 +ATOM 2201 C C . SER A 1 130 ? -29.637 27.087 -16.136 1.00 18.12 ? 120 SER A C 1 +ATOM 2202 O O . SER A 1 130 ? -29.318 27.286 -14.968 1.00 19.04 ? 120 SER A O 1 +ATOM 2203 C CB . SER A 1 130 ? -29.164 28.768 -17.869 1.00 18.76 ? 120 SER A CB 1 +ATOM 2204 O OG . SER A 1 130 ? -28.172 29.208 -18.769 1.00 19.80 ? 120 SER A OG 1 +ATOM 2205 H H . SER A 1 130 ? -28.834 26.653 -19.065 1.00 19.56 ? 120 SER A H 1 +ATOM 2206 H HA . SER A 1 130 ? -27.807 27.602 -16.899 1.00 18.85 ? 120 SER A HA 1 +ATOM 2207 H HB2 . SER A 1 130 ? -29.997 28.625 -18.345 1.00 22.52 ? 120 SER A HB2 1 +ATOM 2208 H HB3 . SER A 1 130 ? -29.290 29.431 -17.172 1.00 22.52 ? 120 SER A HB3 1 +ATOM 2209 H HG . SER A 1 130 ? -28.412 29.926 -19.132 1.00 23.75 ? 120 SER A HG 1 +ATOM 2210 N N . ASP A 1 131 ? -30.768 26.516 -16.452 1.00 18.03 ? 121 ASP A N 1 +ATOM 2211 C CA . ASP A 1 131 ? -31.736 26.153 -15.436 1.00 21.53 ? 121 ASP A CA 1 +ATOM 2212 C C . ASP A 1 131 ? -31.179 25.072 -14.530 1.00 19.58 ? 121 ASP A C 1 +ATOM 2213 O O . ASP A 1 131 ? -31.334 25.134 -13.298 1.00 20.13 ? 121 ASP A O 1 +ATOM 2214 C CB . ASP A 1 131 ? -33.020 25.587 -16.077 1.00 25.56 ? 121 ASP A CB 1 +ATOM 2215 C CG . ASP A 1 131 ? -33.826 26.597 -16.854 1.00 54.82 ? 121 ASP A CG 1 +ATOM 2216 O OD1 . ASP A 1 131 ? -33.747 27.796 -16.551 1.00 34.20 ? 121 ASP A OD1 1 +ATOM 2217 O OD2 . ASP A 1 131 ? -34.588 26.151 -17.746 1.00 41.48 ? 121 ASP A OD2 1 +ATOM 2218 H H . ASP A 1 131 ? -31.011 26.322 -17.254 1.00 21.64 ? 121 ASP A H 1 +ATOM 2219 H HA . ASP A 1 131 ? -31.948 26.956 -14.935 1.00 25.83 ? 121 ASP A HA 1 +ATOM 2220 H HB2 . ASP A 1 131 ? -32.774 24.876 -16.689 1.00 30.67 ? 121 ASP A HB2 1 +ATOM 2221 H HB3 . ASP A 1 131 ? -33.589 25.237 -15.374 1.00 30.67 ? 121 ASP A HB3 1 +ATOM 2222 N N . ILE A 1 132 ? -30.540 24.065 -15.112 1.00 16.61 ? 122 ILE A N 1 +ATOM 2223 C CA . ILE A 1 132 ? -29.942 22.991 -14.327 1.00 18.11 ? 122 ILE A CA 1 +ATOM 2224 C C . ILE A 1 132 ? -28.866 23.538 -13.399 1.00 16.92 ? 122 ILE A C 1 +ATOM 2225 O O . ILE A 1 132 ? -28.793 23.170 -12.214 1.00 17.40 ? 122 ILE A O 1 +ATOM 2226 C CB . ILE A 1 132 ? -29.383 21.899 -15.250 1.00 17.21 ? 122 ILE A CB 1 +ATOM 2227 C CG1 . ILE A 1 132 ? -30.544 21.168 -15.934 1.00 18.78 ? 122 ILE A CG1 1 +ATOM 2228 C CG2 . ILE A 1 132 ? -28.549 20.896 -14.458 1.00 17.25 ? 122 ILE A CG2 1 +ATOM 2229 C CD1 . ILE A 1 132 ? -30.100 20.363 -17.200 1.00 19.21 ? 122 ILE A CD1 1 +ATOM 2230 H H . ILE A 1 132 ? -30.438 23.978 -15.961 1.00 19.94 ? 122 ILE A H 1 +ATOM 2231 H HA . ILE A 1 132 ? -30.635 22.595 -13.776 1.00 21.73 ? 122 ILE A HA 1 +ATOM 2232 H HB . ILE A 1 132 ? -28.816 22.319 -15.915 1.00 20.65 ? 122 ILE A HB 1 +ATOM 2233 H HG12 . ILE A 1 132 ? -30.937 20.543 -15.305 1.00 22.53 ? 122 ILE A HG12 1 +ATOM 2234 H HG13 . ILE A 1 132 ? -31.207 21.820 -16.212 1.00 22.53 ? 122 ILE A HG13 1 +ATOM 2235 H HG21 . ILE A 1 132 ? -28.434 20.092 -14.988 1.00 20.70 ? 122 ILE A HG21 1 +ATOM 2236 H HG22 . ILE A 1 132 ? -27.684 21.289 -14.262 1.00 20.70 ? 122 ILE A HG22 1 +ATOM 2237 H HG23 . ILE A 1 132 ? -29.010 20.684 -13.631 1.00 20.70 ? 122 ILE A HG23 1 +ATOM 2238 H HD11 . ILE A 1 132 ? -30.883 19.968 -17.614 1.00 23.05 ? 122 ILE A HD11 1 +ATOM 2239 H HD12 . ILE A 1 132 ? -29.665 20.968 -17.822 1.00 23.05 ? 122 ILE A HD12 1 +ATOM 2240 H HD13 . ILE A 1 132 ? -29.481 19.666 -16.930 1.00 23.05 ? 122 ILE A HD13 1 +ATOM 2241 N N . VAL A 1 133 ? -27.961 24.353 -13.922 1.00 15.95 ? 123 VAL A N 1 +ATOM 2242 C CA . VAL A 1 133 ? -26.894 24.953 -13.131 1.00 16.30 ? 123 VAL A CA 1 +ATOM 2243 C C . VAL A 1 133 ? -27.455 25.736 -11.963 1.00 17.80 ? 123 VAL A C 1 +ATOM 2244 O O . VAL A 1 133 ? -26.947 25.594 -10.831 1.00 17.54 ? 123 VAL A O 1 +ATOM 2245 C CB . VAL A 1 133 ? -25.994 25.826 -14.020 1.00 16.81 ? 123 VAL A CB 1 +ATOM 2246 C CG1 . VAL A 1 133 ? -25.044 26.622 -13.170 1.00 16.85 ? 123 VAL A CG1 1 +ATOM 2247 C CG2 . VAL A 1 133 ? -25.229 25.007 -15.014 1.00 16.34 ? 123 VAL A CG2 1 +ATOM 2248 H H . VAL A 1 133 ? -27.940 24.581 -14.750 1.00 19.14 ? 123 VAL A H 1 +ATOM 2249 H HA . VAL A 1 133 ? -26.352 24.235 -12.767 1.00 19.56 ? 123 VAL A HA 1 +ATOM 2250 H HB . VAL A 1 133 ? -26.564 26.433 -14.519 1.00 20.18 ? 123 VAL A HB 1 +ATOM 2251 H HG11 . VAL A 1 133 ? -24.301 26.918 -13.718 1.00 20.23 ? 123 VAL A HG11 1 +ATOM 2252 H HG12 . VAL A 1 133 ? -25.513 27.389 -12.805 1.00 20.23 ? 123 VAL A HG12 1 +ATOM 2253 H HG13 . VAL A 1 133 ? -24.719 26.060 -12.449 1.00 20.23 ? 123 VAL A HG13 1 +ATOM 2254 H HG21 . VAL A 1 133 ? -24.713 25.601 -15.581 1.00 19.61 ? 123 VAL A HG21 1 +ATOM 2255 H HG22 . VAL A 1 133 ? -24.636 24.406 -14.537 1.00 19.61 ? 123 VAL A HG22 1 +ATOM 2256 H HG23 . VAL A 1 133 ? -25.855 24.497 -15.551 1.00 19.61 ? 123 VAL A HG23 1 +ATOM 2257 N N . LYS A 1 134 ? -28.479 26.538 -12.171 1.00 17.29 ? 124 LYS A N 1 +ATOM 2258 C CA . LYS A 1 134 ? -29.066 27.310 -11.083 1.00 18.56 ? 124 LYS A CA 1 +ATOM 2259 C C . LYS A 1 134 ? -29.567 26.390 -9.993 1.00 18.72 ? 124 LYS A C 1 +ATOM 2260 O O . LYS A 1 134 ? -29.358 26.663 -8.775 1.00 20.13 ? 124 LYS A O 1 +ATOM 2261 C CB . LYS A 1 134 ? -30.196 28.168 -11.628 1.00 21.03 ? 124 LYS A CB 1 +ATOM 2262 C CG . LYS A 1 134 ? -29.718 29.417 -12.337 1.00 24.50 ? 124 LYS A CG 1 +ATOM 2263 C CD . LYS A 1 134 ? -30.874 30.249 -12.911 1.00 33.56 ? 124 LYS A CD 1 +ATOM 2264 C CE . LYS A 1 134 ? -30.336 31.350 -13.855 1.00 52.79 ? 124 LYS A CE 1 +ATOM 2265 N NZ . LYS A 1 134 ? -31.418 32.046 -14.625 1.00 67.53 ? 124 LYS A NZ 1 +ATOM 2266 H H . LYS A 1 134 ? -28.859 26.659 -12.933 1.00 20.75 ? 124 LYS A H 1 +ATOM 2267 H HA . LYS A 1 134 ? -28.399 27.899 -10.698 1.00 22.27 ? 124 LYS A HA 1 +ATOM 2268 H HB2 . LYS A 1 134 ? -30.708 27.644 -12.263 1.00 25.23 ? 124 LYS A HB2 1 +ATOM 2269 H HB3 . LYS A 1 134 ? -30.763 28.443 -10.891 1.00 25.23 ? 124 LYS A HB3 1 +ATOM 2270 H HG2 . LYS A 1 134 ? -29.232 29.973 -11.708 1.00 29.40 ? 124 LYS A HG2 1 +ATOM 2271 H HG3 . LYS A 1 134 ? -29.138 29.163 -13.072 1.00 29.40 ? 124 LYS A HG3 1 +ATOM 2272 H HD2 . LYS A 1 134 ? -31.469 29.673 -13.416 1.00 40.28 ? 124 LYS A HD2 1 +ATOM 2273 H HD3 . LYS A 1 134 ? -31.359 30.674 -12.186 1.00 40.28 ? 124 LYS A HD3 1 +ATOM 2274 H HE2 . LYS A 1 134 ? -29.869 32.017 -13.328 1.00 63.35 ? 124 LYS A HE2 1 +ATOM 2275 H HE3 . LYS A 1 134 ? -29.727 30.947 -14.494 1.00 63.35 ? 124 LYS A HE3 1 +ATOM 2276 H HZ1 . LYS A 1 134 ? -31.064 32.674 -15.148 1.00 81.04 ? 124 LYS A HZ1 1 +ATOM 2277 H HZ2 . LYS A 1 134 ? -31.855 31.460 -15.133 1.00 81.04 ? 124 LYS A HZ2 1 +ATOM 2278 H HZ3 . LYS A 1 134 ? -31.994 32.428 -14.064 1.00 81.04 ? 124 LYS A HZ3 1 +ATOM 2279 N N . GLU A 1 135 ? -30.190 25.274 -10.379 1.00 18.74 ? 125 GLU A N 1 +ATOM 2280 C CA . GLU A 1 135 ? -30.693 24.349 -9.356 1.00 19.77 ? 125 GLU A CA 1 +ATOM 2281 C C . GLU A 1 135 ? -29.561 23.703 -8.600 1.00 17.22 ? 125 GLU A C 1 +ATOM 2282 O O . GLU A 1 135 ? -29.648 23.534 -7.379 1.00 19.06 ? 125 GLU A O 1 +ATOM 2283 C CB . GLU A 1 135 ? -31.586 23.271 -9.971 1.00 21.49 ? 125 GLU A CB 1 +ATOM 2284 C CG . GLU A 1 135 ? -32.895 23.816 -10.465 1.00 23.31 ? 125 GLU A CG 1 +ATOM 2285 C CD . GLU A 1 135 ? -33.636 24.498 -9.346 1.00 46.33 ? 125 GLU A CD 1 +ATOM 2286 O OE1 . GLU A 1 135 ? -33.863 23.851 -8.318 1.00 31.61 ? 125 GLU A OE1 1 +ATOM 2287 O OE2 . GLU A 1 135 ? -33.893 25.699 -9.440 1.00 36.83 ? 125 GLU A OE2 1 +ATOM 2288 H H . GLU A 1 135 ? -30.331 25.036 -11.193 1.00 22.49 ? 125 GLU A H 1 +ATOM 2289 H HA . GLU A 1 135 ? -31.235 24.862 -8.736 1.00 23.72 ? 125 GLU A HA 1 +ATOM 2290 H HB2 . GLU A 1 135 ? -31.123 22.870 -10.723 1.00 25.78 ? 125 GLU A HB2 1 +ATOM 2291 H HB3 . GLU A 1 135 ? -31.775 22.597 -9.300 1.00 25.78 ? 125 GLU A HB3 1 +ATOM 2292 H HG2 . GLU A 1 135 ? -32.732 24.464 -11.169 1.00 27.97 ? 125 GLU A HG2 1 +ATOM 2293 H HG3 . GLU A 1 135 ? -33.442 23.090 -10.803 1.00 27.97 ? 125 GLU A HG3 1 +ATOM 2294 N N . ILE A 1 136 ? -28.478 23.299 -9.250 1.00 16.87 ? 126 ILE A N 1 +ATOM 2295 C CA . ILE A 1 136 ? -27.406 22.628 -8.556 1.00 16.82 ? 126 ILE A CA 1 +ATOM 2296 C C . ILE A 1 136 ? -26.659 23.602 -7.672 1.00 16.47 ? 126 ILE A C 1 +ATOM 2297 O O . ILE A 1 136 ? -26.235 23.246 -6.551 1.00 17.00 ? 126 ILE A O 1 +ATOM 2298 C CB . ILE A 1 136 ? -26.489 21.878 -9.539 1.00 16.66 ? 126 ILE A CB 1 +ATOM 2299 C CG1 . ILE A 1 136 ? -27.303 20.810 -10.251 1.00 17.13 ? 126 ILE A CG1 1 +ATOM 2300 C CG2 . ILE A 1 136 ? -25.303 21.289 -8.789 1.00 16.76 ? 126 ILE A CG2 1 +ATOM 2301 C CD1 . ILE A 1 136 ? -26.543 20.113 -11.396 1.00 16.70 ? 126 ILE A CD1 1 +ATOM 2302 H H . ILE A 1 136 ? -28.345 23.404 -10.094 1.00 20.25 ? 126 ILE A H 1 +ATOM 2303 H HA . ILE A 1 136 ? -27.789 21.950 -7.977 1.00 20.19 ? 126 ILE A HA 1 +ATOM 2304 H HB . ILE A 1 136 ? -26.137 22.487 -10.207 1.00 19.99 ? 126 ILE A HB 1 +ATOM 2305 H HG12 . ILE A 1 136 ? -27.557 20.130 -9.607 1.00 20.56 ? 126 ILE A HG12 1 +ATOM 2306 H HG13 . ILE A 1 136 ? -28.096 21.221 -10.629 1.00 20.56 ? 126 ILE A HG13 1 +ATOM 2307 H HG21 . ILE A 1 136 ? -24.832 20.676 -9.374 1.00 20.11 ? 126 ILE A HG21 1 +ATOM 2308 H HG22 . ILE A 1 136 ? -24.712 22.009 -8.519 1.00 20.11 ? 126 ILE A HG22 1 +ATOM 2309 H HG23 . ILE A 1 136 ? -25.628 20.817 -8.006 1.00 20.11 ? 126 ILE A HG23 1 +ATOM 2310 H HD11 . ILE A 1 136 ? -27.160 19.552 -11.890 1.00 20.03 ? 126 ILE A HD11 1 +ATOM 2311 H HD12 . ILE A 1 136 ? -26.168 20.789 -11.983 1.00 20.03 ? 126 ILE A HD12 1 +ATOM 2312 H HD13 . ILE A 1 136 ? -25.832 19.572 -11.019 1.00 20.03 ? 126 ILE A HD13 1 +ATOM 2313 N N . LYS A 1 137 ? -26.519 24.854 -8.070 1.00 16.93 ? 127 LYS A N 1 +ATOM 2314 C CA . LYS A 1 137 ? -25.833 25.821 -7.245 1.00 16.98 ? 127 LYS A CA 1 +ATOM 2315 C C . LYS A 1 137 ? -26.570 26.077 -5.933 1.00 17.71 ? 127 LYS A C 1 +ATOM 2316 O O . LYS A 1 137 ? -25.908 26.372 -4.920 1.00 19.25 ? 127 LYS A O 1 +ATOM 2317 C CB . LYS A 1 137 ? -25.619 27.137 -7.997 1.00 17.84 ? 127 LYS A CB 1 +ATOM 2318 C CG . LYS A 1 137 ? -24.492 27.029 -9.077 1.00 17.36 ? 127 LYS A CG 1 +ATOM 2319 C CD . LYS A 1 137 ? -23.122 26.709 -8.519 1.00 19.07 ? 127 LYS A CD 1 +ATOM 2320 C CE . LYS A 1 137 ? -22.619 27.882 -7.761 1.00 20.90 ? 127 LYS A CE 1 +ATOM 2321 N NZ . LYS A 1 137 ? -21.329 27.563 -7.140 1.00 21.64 ? 127 LYS A NZ 1 +ATOM 2322 H H . LYS A 1 137 ? -26.812 25.167 -8.815 1.00 20.32 ? 127 LYS A H 1 +ATOM 2323 H HA . LYS A 1 137 ? -24.957 25.460 -7.036 1.00 20.38 ? 127 LYS A HA 1 +ATOM 2324 H HB2 . LYS A 1 137 ? -26.443 27.385 -8.445 1.00 21.41 ? 127 LYS A HB2 1 +ATOM 2325 H HB3 . LYS A 1 137 ? -25.365 27.826 -7.364 1.00 21.41 ? 127 LYS A HB3 1 +ATOM 2326 H HG2 . LYS A 1 137 ? -24.726 26.324 -9.701 1.00 20.84 ? 127 LYS A HG2 1 +ATOM 2327 H HG3 . LYS A 1 137 ? -24.427 27.877 -9.544 1.00 20.84 ? 127 LYS A HG3 1 +ATOM 2328 H HD2 . LYS A 1 137 ? -23.179 25.948 -7.919 1.00 22.89 ? 127 LYS A HD2 1 +ATOM 2329 H HD3 . LYS A 1 137 ? -22.507 26.515 -9.243 1.00 22.89 ? 127 LYS A HD3 1 +ATOM 2330 H HE2 . LYS A 1 137 ? -22.497 28.633 -8.364 1.00 25.08 ? 127 LYS A HE2 1 +ATOM 2331 H HE3 . LYS A 1 137 ? -23.251 28.116 -7.063 1.00 25.08 ? 127 LYS A HE3 1 +ATOM 2332 H HZ1 . LYS A 1 137 ? -21.424 26.884 -6.573 1.00 25.97 ? 127 LYS A HZ1 1 +ATOM 2333 H HZ2 . LYS A 1 137 ? -20.738 27.336 -7.765 1.00 25.97 ? 127 LYS A HZ2 1 +ATOM 2334 H HZ3 . LYS A 1 137 ? -21.022 28.270 -6.695 1.00 25.97 ? 127 LYS A HZ3 1 +ATOM 2335 N N . LYS A 1 138 ? -27.876 25.872 -5.888 1.00 17.14 ? 128 LYS A N 1 +ATOM 2336 C CA . LYS A 1 138 ? -28.618 25.978 -4.634 1.00 17.79 ? 128 LYS A CA 1 +ATOM 2337 C C . LYS A 1 138 ? -28.208 24.897 -3.629 1.00 17.59 ? 128 LYS A C 1 +ATOM 2338 O O . LYS A 1 138 ? -28.516 25.045 -2.436 1.00 18.27 ? 128 LYS A O 1 +ATOM 2339 C CB . LYS A 1 138 ? -30.125 25.887 -4.903 1.00 19.53 ? 128 LYS A CB 1 +ATOM 2340 C CG . LYS A 1 138 ? -30.653 27.036 -5.743 1.00 20.47 ? 128 LYS A CG 1 +ATOM 2341 C CD . LYS A 1 138 ? -32.128 26.890 -6.009 1.00 24.65 ? 128 LYS A CD 1 +ATOM 2342 C CE . LYS A 1 138 ? -32.611 27.993 -6.943 1.00 29.55 ? 128 LYS A CE 1 +ATOM 2343 N NZ . LYS A 1 138 ? -34.010 27.755 -7.363 1.00 39.49 ? 128 LYS A NZ 1 +ATOM 2344 H H . LYS A 1 138 ? -28.361 25.668 -6.568 1.00 20.57 ? 128 LYS A H 1 +ATOM 2345 H HA . LYS A 1 138 ? -28.435 26.845 -4.239 1.00 21.35 ? 128 LYS A HA 1 +ATOM 2346 H HB2 . LYS A 1 138 ? -30.310 25.061 -5.378 1.00 23.44 ? 128 LYS A HB2 1 +ATOM 2347 H HB3 . LYS A 1 138 ? -30.596 25.895 -4.056 1.00 23.44 ? 128 LYS A HB3 1 +ATOM 2348 H HG2 . LYS A 1 138 ? -30.510 27.872 -5.272 1.00 24.57 ? 128 LYS A HG2 1 +ATOM 2349 H HG3 . LYS A 1 138 ? -30.189 27.052 -6.595 1.00 24.57 ? 128 LYS A HG3 1 +ATOM 2350 H HD2 . LYS A 1 138 ? -32.299 26.032 -6.429 1.00 29.58 ? 128 LYS A HD2 1 +ATOM 2351 H HD3 . LYS A 1 138 ? -32.617 26.955 -5.175 1.00 29.58 ? 128 LYS A HD3 1 +ATOM 2352 H HE2 . LYS A 1 138 ? -32.568 28.847 -6.485 1.00 35.46 ? 128 LYS A HE2 1 +ATOM 2353 H HE3 . LYS A 1 138 ? -32.051 28.014 -7.736 1.00 35.46 ? 128 LYS A HE3 1 +ATOM 2354 H HZ1 . LYS A 1 138 ? -34.278 28.404 -7.909 1.00 47.38 ? 128 LYS A HZ1 1 +ATOM 2355 H HZ2 . LYS A 1 138 ? -34.072 26.976 -7.788 1.00 47.38 ? 128 LYS A HZ2 1 +ATOM 2356 H HZ3 . LYS A 1 138 ? -34.542 27.739 -6.650 1.00 47.38 ? 128 LYS A HZ3 1 +ATOM 2357 N N . MET A 1 139 ? -27.548 23.847 -4.051 1.00 17.96 ? 129 MET A N 1 +ATOM 2358 C CA . MET A 1 139 ? -27.159 22.735 -3.185 1.00 17.99 ? 129 MET A CA 1 +ATOM 2359 C C . MET A 1 139 ? -25.878 23.031 -2.452 1.00 20.55 ? 129 MET A C 1 +ATOM 2360 O O . MET A 1 139 ? -25.442 22.179 -1.669 1.00 22.40 ? 129 MET A O 1 +ATOM 2361 C CB . MET A 1 139 ? -27.044 21.460 -4.008 1.00 18.54 ? 129 MET A CB 1 +ATOM 2362 C CG . MET A 1 139 ? -28.289 21.087 -4.769 1.00 18.58 ? 129 MET A CG 1 +ATOM 2363 S SD . MET A 1 139 ? -28.029 19.662 -5.815 1.00 18.99 ? 129 MET A SD 1 +ATOM 2364 C CE . MET A 1 139 ? -29.589 19.709 -6.729 1.00 22.17 ? 129 MET A CE 1 +ATOM 2365 H H . MET A 1 139 ? -27.299 23.739 -4.867 1.00 21.55 ? 129 MET A H 1 +ATOM 2366 H HA . MET A 1 139 ? -27.852 22.567 -2.527 1.00 21.59 ? 129 MET A HA 1 +ATOM 2367 H HB2 . MET A 1 139 ? -26.329 21.573 -4.654 1.00 22.25 ? 129 MET A HB2 1 +ATOM 2368 H HB3 . MET A 1 139 ? -26.836 20.725 -3.409 1.00 22.25 ? 129 MET A HB3 1 +ATOM 2369 H HG2 . MET A 1 139 ? -28.998 20.878 -4.140 1.00 22.29 ? 129 MET A HG2 1 +ATOM 2370 H HG3 . MET A 1 139 ? -28.555 21.832 -5.331 1.00 22.29 ? 129 MET A HG3 1 +ATOM 2371 H HE1 . MET A 1 139 ? -29.606 18.977 -7.365 1.00 26.61 ? 129 MET A HE1 1 +ATOM 2372 H HE2 . MET A 1 139 ? -30.325 19.621 -6.103 1.00 26.61 ? 129 MET A HE2 1 +ATOM 2373 H HE3 . MET A 1 139 ? -29.654 20.556 -7.199 1.00 26.61 ? 129 MET A HE3 1 +ATOM 2374 N N . GLY A 1 140 ? -25.212 24.152 -2.691 1.00 16.86 ? 130 GLY A N 1 +ATOM 2375 C CA . GLY A 1 140 ? -24.040 24.516 -1.921 1.00 18.96 ? 130 GLY A CA 1 +ATOM 2376 C C . GLY A 1 140 ? -22.727 23.950 -2.397 1.00 18.87 ? 130 GLY A C 1 +ATOM 2377 O O . GLY A 1 140 ? -21.744 23.892 -1.638 1.00 20.30 ? 130 GLY A O 1 +ATOM 2378 H H . GLY A 1 140 ? -25.422 24.722 -3.300 1.00 20.23 ? 130 GLY A H 1 +ATOM 2379 H HA2 . GLY A 1 140 ? -23.959 25.482 -1.928 1.00 22.75 ? 130 GLY A HA2 1 +ATOM 2380 H HA3 . GLY A 1 140 ? -24.170 24.216 -1.008 1.00 22.75 ? 130 GLY A HA3 1 +ATOM 2381 N N . VAL A 1 141 ? -22.650 23.574 -3.659 1.00 16.33 ? 131 VAL A N 1 +ATOM 2382 C CA . VAL A 1 141 ? -21.482 22.943 -4.270 1.00 16.20 ? 131 VAL A CA 1 +ATOM 2383 C C . VAL A 1 141 ? -20.997 23.767 -5.466 1.00 15.36 ? 131 VAL A C 1 +ATOM 2384 O O . VAL A 1 141 ? -21.696 24.641 -5.970 1.00 17.31 ? 131 VAL A O 1 +ATOM 2385 C CB . VAL A 1 141 ? -21.766 21.487 -4.682 1.00 16.54 ? 131 VAL A CB 1 +ATOM 2386 C CG1 . VAL A 1 141 ? -22.029 20.654 -3.438 1.00 19.47 ? 131 VAL A CG1 1 +ATOM 2387 C CG2 . VAL A 1 141 ? -22.888 21.440 -5.733 1.00 18.49 ? 131 VAL A CG2 1 +ATOM 2388 H H . VAL A 1 141 ? -23.294 23.678 -4.219 1.00 19.59 ? 131 VAL A H 1 +ATOM 2389 H HA . VAL A 1 141 ? -20.762 22.948 -3.619 1.00 19.44 ? 131 VAL A HA 1 +ATOM 2390 H HB . VAL A 1 141 ? -20.996 21.087 -5.115 1.00 19.84 ? 131 VAL A HB 1 +ATOM 2391 H HG11 . VAL A 1 141 ? -22.086 19.719 -3.691 1.00 23.36 ? 131 VAL A HG11 1 +ATOM 2392 H HG12 . VAL A 1 141 ? -21.301 20.783 -2.811 1.00 23.36 ? 131 VAL A HG12 1 +ATOM 2393 H HG13 . VAL A 1 141 ? -22.865 20.940 -3.038 1.00 23.36 ? 131 VAL A HG13 1 +ATOM 2394 H HG21 . VAL A 1 141 ? -23.115 20.514 -5.912 1.00 22.19 ? 131 VAL A HG21 1 +ATOM 2395 H HG22 . VAL A 1 141 ? -23.664 21.909 -5.388 1.00 22.19 ? 131 VAL A HG22 1 +ATOM 2396 H HG23 . VAL A 1 141 ? -22.578 21.868 -6.546 1.00 22.19 ? 131 VAL A HG23 1 +ATOM 2397 N N . ALA A 1 142 ? -19.800 23.446 -5.924 1.00 14.53 ? 132 ALA A N 1 +ATOM 2398 C CA . ALA A 1 142 ? -19.285 24.010 -7.175 1.00 14.50 ? 132 ALA A CA 1 +ATOM 2399 C C . ALA A 1 142 ? -19.840 23.240 -8.361 1.00 14.41 ? 132 ALA A C 1 +ATOM 2400 O O . ALA A 1 142 ? -20.170 22.058 -8.255 1.00 14.00 ? 132 ALA A O 1 +ATOM 2401 C CB . ALA A 1 142 ? -17.772 23.902 -7.196 1.00 15.14 ? 132 ALA A CB 1 +ATOM 2402 H H . ALA A 1 142 ? -19.260 22.903 -5.533 1.00 17.44 ? 132 ALA A H 1 +ATOM 2403 H HA . ALA A 1 142 ? -19.545 24.941 -7.249 1.00 17.40 ? 132 ALA A HA 1 +ATOM 2404 H HB1 . ALA A 1 142 ? -17.442 24.259 -8.035 1.00 18.17 ? 132 ALA A HB1 1 +ATOM 2405 H HB2 . ALA A 1 142 ? -17.409 24.410 -6.454 1.00 18.17 ? 132 ALA A HB2 1 +ATOM 2406 H HB3 . ALA A 1 142 ? -17.521 22.968 -7.112 1.00 18.17 ? 132 ALA A HB3 1 +ATOM 2407 N N . VAL A 1 143 ? -19.960 23.939 -9.484 1.00 14.13 ? 133 VAL A N 1 +ATOM 2408 C CA . VAL A 1 143 ? -20.405 23.344 -10.743 1.00 13.94 ? 133 VAL A CA 1 +ATOM 2409 C C . VAL A 1 143 ? -19.333 23.551 -11.796 1.00 14.39 ? 133 VAL A C 1 +ATOM 2410 O O . VAL A 1 143 ? -18.883 24.686 -12.050 1.00 14.63 ? 133 VAL A O 1 +ATOM 2411 C CB . VAL A 1 143 ? -21.728 23.926 -11.204 1.00 14.94 ? 133 VAL A CB 1 +ATOM 2412 C CG1 . VAL A 1 143 ? -22.057 23.464 -12.623 1.00 16.57 ? 133 VAL A CG1 1 +ATOM 2413 C CG2 . VAL A 1 143 ? -22.834 23.507 -10.242 1.00 16.54 ? 133 VAL A CG2 1 +ATOM 2414 H H . VAL A 1 143 ? -19.787 24.780 -9.544 1.00 16.96 ? 133 VAL A H 1 +ATOM 2415 H HA . VAL A 1 143 ? -20.515 22.389 -10.612 1.00 16.73 ? 133 VAL A HA 1 +ATOM 2416 H HB . VAL A 1 143 ? -21.665 24.894 -11.213 1.00 17.92 ? 133 VAL A HB 1 +ATOM 2417 H HG11 . VAL A 1 143 ? -23.000 23.616 -12.794 1.00 19.88 ? 133 VAL A HG11 1 +ATOM 2418 H HG12 . VAL A 1 143 ? -21.521 23.971 -13.252 1.00 19.88 ? 133 VAL A HG12 1 +ATOM 2419 H HG13 . VAL A 1 143 ? -21.855 22.519 -12.702 1.00 19.88 ? 133 VAL A HG13 1 +ATOM 2420 H HG21 . VAL A 1 143 ? -23.672 23.898 -10.535 1.00 19.85 ? 133 VAL A HG21 1 +ATOM 2421 H HG22 . VAL A 1 143 ? -22.902 22.539 -10.242 1.00 19.85 ? 133 VAL A HG22 1 +ATOM 2422 H HG23 . VAL A 1 143 ? -22.614 23.823 -9.352 1.00 19.85 ? 133 VAL A HG23 1 +ATOM 2423 N N . THR A 1 144 ? -18.962 22.461 -12.445 1.00 12.72 ? 134 THR A N 1 +ATOM 2424 C CA . THR A 1 144 ? -18.064 22.447 -13.596 1.00 12.70 ? 134 THR A CA 1 +ATOM 2425 C C . THR A 1 144 ? -18.851 21.987 -14.805 1.00 13.16 ? 134 THR A C 1 +ATOM 2426 O O . THR A 1 144 ? -19.548 20.973 -14.742 1.00 14.30 ? 134 THR A O 1 +ATOM 2427 C CB . THR A 1 144 ? -16.914 21.512 -13.383 1.00 13.07 ? 134 THR A CB 1 +ATOM 2428 O OG1 . THR A 1 144 ? -16.163 22.040 -12.249 1.00 14.42 ? 134 THR A OG1 1 +ATOM 2429 C CG2 . THR A 1 144 ? -15.999 21.410 -14.599 1.00 13.95 ? 134 THR A CG2 1 +ATOM 2430 H H . THR A 1 144 ? -19.229 21.672 -12.228 1.00 15.27 ? 134 THR A H 1 +ATOM 2431 H HA . THR A 1 144 ? -17.714 23.339 -13.743 1.00 15.24 ? 134 THR A HA 1 +ATOM 2432 H HB . THR A 1 144 ? -17.237 20.611 -13.225 1.00 15.68 ? 134 THR A HB 1 +ATOM 2433 H HG1 . THR A 1 144 ? -15.493 21.557 -12.098 1.00 17.31 ? 134 THR A HG1 1 +ATOM 2434 H HG21 . THR A 1 144 ? -15.185 20.939 -14.363 1.00 16.74 ? 134 THR A HG21 1 +ATOM 2435 H HG22 . THR A 1 144 ? -16.447 20.927 -15.311 1.00 16.74 ? 134 THR A HG22 1 +ATOM 2436 H HG23 . THR A 1 144 ? -15.769 22.297 -14.917 1.00 16.74 ? 134 THR A HG23 1 +ATOM 2437 N N . LEU A 1 145 ? -18.748 22.731 -15.921 1.00 13.36 ? 135 LEU A N 1 +ATOM 2438 C CA . LEU A 1 145 ? -19.361 22.335 -17.195 1.00 12.46 ? 135 LEU A CA 1 +ATOM 2439 C C . LEU A 1 145 ? -18.287 21.798 -18.119 1.00 12.70 ? 135 LEU A C 1 +ATOM 2440 O O . LEU A 1 145 ? -17.165 22.285 -18.139 1.00 12.96 ? 135 LEU A O 1 +ATOM 2441 C CB . LEU A 1 145 ? -20.052 23.529 -17.832 1.00 13.90 ? 135 LEU A CB 1 +ATOM 2442 C CG . LEU A 1 145 ? -21.195 24.155 -17.011 1.00 13.81 ? 135 LEU A CG 1 +ATOM 2443 C CD1 . LEU A 1 145 ? -21.793 25.313 -17.754 1.00 15.57 ? 135 LEU A CD1 1 +ATOM 2444 C CD2 . LEU A 1 145 ? -22.251 23.120 -16.737 1.00 15.00 ? 135 LEU A CD2 1 +ATOM 2445 H H . LEU A 1 145 ? -18.323 23.477 -15.962 1.00 16.04 ? 135 LEU A H 1 +ATOM 2446 H HA . LEU A 1 145 ? -20.024 21.640 -17.058 1.00 14.96 ? 135 LEU A HA 1 +ATOM 2447 H HB2 . LEU A 1 145 ? -19.389 24.222 -17.977 1.00 16.68 ? 135 LEU A HB2 1 +ATOM 2448 H HB3 . LEU A 1 145 ? -20.428 23.246 -18.680 1.00 16.68 ? 135 LEU A HB3 1 +ATOM 2449 H HG . LEU A 1 145 ? -20.847 24.480 -16.166 1.00 16.58 ? 135 LEU A HG 1 +ATOM 2450 H HD11 . LEU A 1 145 ? -22.506 25.697 -17.220 1.00 18.69 ? 135 LEU A HD11 1 +ATOM 2451 H HD12 . LEU A 1 145 ? -21.104 25.976 -17.913 1.00 18.69 ? 135 LEU A HD12 1 +ATOM 2452 H HD13 . LEU A 1 145 ? -22.148 24.996 -18.600 1.00 18.69 ? 135 LEU A HD13 1 +ATOM 2453 H HD21 . LEU A 1 145 ? -23.026 23.555 -16.350 1.00 18.00 ? 135 LEU A HD21 1 +ATOM 2454 H HD22 . LEU A 1 145 ? -22.495 22.689 -17.571 1.00 18.00 ? 135 LEU A HD22 1 +ATOM 2455 H HD23 . LEU A 1 145 ? -21.896 22.463 -16.118 1.00 18.00 ? 135 LEU A HD23 1 +ATOM 2456 N N . SER A 1 146 ? -18.672 20.805 -18.931 1.00 12.28 ? 136 SER A N 1 +ATOM 2457 C CA . SER A 1 146 ? -17.774 20.235 -19.944 1.00 12.79 ? 136 SER A CA 1 +ATOM 2458 C C . SER A 1 146 ? -18.641 19.836 -21.141 1.00 12.24 ? 136 SER A C 1 +ATOM 2459 O O . SER A 1 146 ? -18.982 18.688 -21.331 1.00 12.39 ? 136 SER A O 1 +ATOM 2460 C CB . SER A 1 146 ? -17.047 19.061 -19.299 1.00 12.59 ? 136 SER A CB 1 +ATOM 2461 O OG . SER A 1 146 ? -16.072 18.477 -20.167 1.00 13.06 ? 136 SER A OG 1 +ATOM 2462 H H . SER A 1 146 ? -19.452 20.443 -18.914 1.00 14.73 ? 136 SER A H 1 +ATOM 2463 H HA . SER A 1 146 ? -17.130 20.873 -20.289 1.00 15.34 ? 136 SER A HA 1 +ATOM 2464 H HB2 . SER A 1 146 ? -16.599 19.377 -18.499 1.00 15.11 ? 136 SER A HB2 1 +ATOM 2465 H HB3 . SER A 1 146 ? -17.700 18.382 -19.068 1.00 15.11 ? 136 SER A HB3 1 +ATOM 2466 H HG . SER A 1 146 ? -15.478 19.041 -20.351 1.00 15.67 ? 136 SER A HG 1 +ATOM 2467 N N . LEU A 1 147 ? -19.044 20.849 -21.906 1.00 12.26 ? 137 LEU A N 1 +ATOM 2468 C CA . LEU A 1 147 ? -20.071 20.708 -22.934 1.00 12.74 ? 137 LEU A CA 1 +ATOM 2469 C C . LEU A 1 147 ? -19.539 20.945 -24.340 1.00 13.20 ? 137 LEU A C 1 +ATOM 2470 O O . LEU A 1 147 ? -20.326 20.889 -25.271 1.00 14.10 ? 137 LEU A O 1 +ATOM 2471 C CB . LEU A 1 147 ? -21.248 21.666 -22.664 1.00 13.04 ? 137 LEU A CB 1 +ATOM 2472 C CG . LEU A 1 147 ? -21.771 21.701 -21.208 1.00 12.19 ? 137 LEU A CG 1 +ATOM 2473 C CD1 . LEU A 1 147 ? -22.877 22.696 -21.096 1.00 14.30 ? 137 LEU A CD1 1 +ATOM 2474 C CD2 . LEU A 1 147 ? -22.177 20.309 -20.731 1.00 15.39 ? 137 LEU A CD2 1 +ATOM 2475 H H . LEU A 1 147 ? -18.731 21.648 -21.846 1.00 14.71 ? 137 LEU A H 1 +ATOM 2476 H HA . LEU A 1 147 ? -20.418 19.803 -22.895 1.00 15.28 ? 137 LEU A HA 1 +ATOM 2477 H HB2 . LEU A 1 147 ? -20.963 22.566 -22.889 1.00 15.65 ? 137 LEU A HB2 1 +ATOM 2478 H HB3 . LEU A 1 147 ? -21.990 21.402 -23.230 1.00 15.65 ? 137 LEU A HB3 1 +ATOM 2479 H HG . LEU A 1 147 ? -21.064 21.986 -20.609 1.00 14.63 ? 137 LEU A HG 1 +ATOM 2480 H HD11 . LEU A 1 147 ? -23.217 22.689 -20.188 1.00 17.16 ? 137 LEU A HD11 1 +ATOM 2481 H HD12 . LEU A 1 147 ? -22.533 23.576 -21.314 1.00 17.16 ? 137 LEU A HD12 1 +ATOM 2482 H HD13 . LEU A 1 147 ? -23.583 22.454 -21.716 1.00 17.16 ? 137 LEU A HD13 1 +ATOM 2483 H HD21 . LEU A 1 147 ? -22.568 20.379 -19.847 1.00 18.46 ? 137 LEU A HD21 1 +ATOM 2484 H HD22 . LEU A 1 147 ? -22.825 19.939 -21.351 1.00 18.46 ? 137 LEU A HD22 1 +ATOM 2485 H HD23 . LEU A 1 147 ? -21.389 19.744 -20.700 1.00 18.46 ? 137 LEU A HD23 1 +ATOM 2486 N N . GLY A 1 148 ? -18.263 21.220 -24.490 1.00 13.10 ? 138 GLY A N 1 +ATOM 2487 C CA . GLY A 1 148 ? -17.700 21.478 -25.820 1.00 13.04 ? 138 GLY A CA 1 +ATOM 2488 C C . GLY A 1 148 ? -17.673 22.943 -26.170 1.00 13.25 ? 138 GLY A C 1 +ATOM 2489 O O . GLY A 1 148 ? -17.632 23.838 -25.307 1.00 13.85 ? 138 GLY A O 1 +ATOM 2490 H H . GLY A 1 148 ? -17.694 21.267 -23.846 1.00 15.72 ? 138 GLY A H 1 +ATOM 2491 H HA2 . GLY A 1 148 ? -16.790 21.141 -25.852 1.00 15.65 ? 138 GLY A HA2 1 +ATOM 2492 H HA3 . GLY A 1 148 ? -18.231 21.015 -26.486 1.00 15.65 ? 138 GLY A HA3 1 +ATOM 2493 N N . GLU A 1 149 ? -17.631 23.170 -27.487 1.00 13.38 ? 139 GLU A N 1 +ATOM 2494 C CA . GLU A 1 149 ? -17.408 24.481 -28.099 1.00 13.65 ? 139 GLU A CA 1 +ATOM 2495 C C . GLU A 1 149 ? -18.739 25.130 -28.435 1.00 15.20 ? 139 GLU A C 1 +ATOM 2496 O O . GLU A 1 149 ? -19.528 24.605 -29.220 1.00 16.11 ? 139 GLU A O 1 +ATOM 2497 C CB . GLU A 1 149 ? -16.609 24.311 -29.394 1.00 13.93 ? 139 GLU A CB 1 +ATOM 2498 C CG . GLU A 1 149 ? -15.241 23.744 -29.161 1.00 15.54 ? 139 GLU A CG 1 +ATOM 2499 C CD . GLU A 1 149 ? -14.510 23.319 -30.398 1.00 14.31 ? 139 GLU A CD 1 +ATOM 2500 O OE1 . GLU A 1 149 ? -14.749 23.922 -31.467 1.00 16.27 ? 139 GLU A OE1 1 +ATOM 2501 O OE2 . GLU A 1 149 ? -13.648 22.444 -30.306 1.00 15.33 ? 139 GLU A OE2 1 +ATOM 2502 H H . GLU A 1 149 ? -17.733 22.550 -28.074 1.00 16.05 ? 139 GLU A H 1 +ATOM 2503 H HA . GLU A 1 149 ? -16.929 25.045 -27.471 1.00 16.38 ? 139 GLU A HA 1 +ATOM 2504 H HB2 . GLU A 1 149 ? -17.088 23.708 -29.983 1.00 16.72 ? 139 GLU A HB2 1 +ATOM 2505 H HB3 . GLU A 1 149 ? -16.507 25.177 -29.818 1.00 16.72 ? 139 GLU A HB3 1 +ATOM 2506 H HG2 . GLU A 1 149 ? -14.700 24.419 -28.722 1.00 18.65 ? 139 GLU A HG2 1 +ATOM 2507 H HG3 . GLU A 1 149 ? -15.325 22.964 -28.591 1.00 18.65 ? 139 GLU A HG3 1 +ATOM 2508 N N . TRP A 1 150 ? -19.013 26.305 -27.813 1.00 16.31 ? 140 TRP A N 1 +ATOM 2509 C CA . TRP A 1 150 ? -20.259 27.047 -27.982 1.00 15.36 ? 140 TRP A CA 1 +ATOM 2510 C C . TRP A 1 150 ? -19.942 28.525 -28.117 1.00 16.76 ? 140 TRP A C 1 +ATOM 2511 O O . TRP A 1 150 ? -18.855 28.961 -27.728 1.00 19.63 ? 140 TRP A O 1 +ATOM 2512 C CB . TRP A 1 150 ? -21.244 26.757 -26.801 1.00 16.48 ? 140 TRP A CB 1 +ATOM 2513 C CG . TRP A 1 150 ? -21.649 25.302 -26.780 1.00 15.82 ? 140 TRP A CG 1 +ATOM 2514 C CD1 . TRP A 1 150 ? -21.092 24.313 -26.014 1.00 14.09 ? 140 TRP A CD1 1 +ATOM 2515 C CD2 . TRP A 1 150 ? -22.613 24.660 -27.619 1.00 15.34 ? 140 TRP A CD2 1 +ATOM 2516 N NE1 . TRP A 1 150 ? -21.625 23.091 -26.352 1.00 15.09 ? 140 TRP A NE1 1 +ATOM 2517 C CE2 . TRP A 1 150 ? -22.563 23.277 -27.344 1.00 16.02 ? 140 TRP A CE2 1 +ATOM 2518 C CE3 . TRP A 1 150 ? -23.480 25.121 -28.630 1.00 17.63 ? 140 TRP A CE3 1 +ATOM 2519 C CZ2 . TRP A 1 150 ? -23.379 22.365 -27.983 1.00 17.53 ? 140 TRP A CZ2 1 +ATOM 2520 C CZ3 . TRP A 1 150 ? -24.295 24.219 -29.238 1.00 19.93 ? 140 TRP A CZ3 1 +ATOM 2521 C CH2 . TRP A 1 150 ? -24.224 22.844 -28.962 1.00 18.65 ? 140 TRP A CH2 1 +ATOM 2522 H H . TRP A 1 150 ? -18.467 26.693 -27.274 1.00 19.57 ? 140 TRP A H 1 +ATOM 2523 H HA . TRP A 1 150 ? -20.712 26.767 -28.793 1.00 18.43 ? 140 TRP A HA 1 +ATOM 2524 H HB2 . TRP A 1 150 ? -20.809 26.967 -25.959 1.00 19.78 ? 140 TRP A HB2 1 +ATOM 2525 H HB3 . TRP A 1 150 ? -22.042 27.297 -26.906 1.00 19.78 ? 140 TRP A HB3 1 +ATOM 2526 H HD1 . TRP A 1 150 ? -20.445 24.447 -25.359 1.00 16.91 ? 140 TRP A HD1 1 +ATOM 2527 H HE1 . TRP A 1 150 ? -21.410 22.336 -26.002 1.00 18.10 ? 140 TRP A HE1 1 +ATOM 2528 H HE3 . TRP A 1 150 ? -23.494 26.018 -28.875 1.00 21.16 ? 140 TRP A HE3 1 +ATOM 2529 H HZ2 . TRP A 1 150 ? -23.360 21.462 -27.761 1.00 21.04 ? 140 TRP A HZ2 1 +ATOM 2530 H HZ3 . TRP A 1 150 ? -24.920 24.522 -29.857 1.00 23.92 ? 140 TRP A HZ3 1 +ATOM 2531 H HH2 . TRP A 1 150 ? -24.753 22.251 -29.445 1.00 22.38 ? 140 TRP A HH2 1 +ATOM 2532 N N . PRO A 1 151 ? -20.932 29.315 -28.539 1.00 18.30 ? 141 PRO A N 1 +ATOM 2533 C CA . PRO A 1 151 ? -20.713 30.748 -28.626 1.00 19.87 ? 141 PRO A CA 1 +ATOM 2534 C C . PRO A 1 151 ? -20.437 31.384 -27.293 1.00 19.85 ? 141 PRO A C 1 +ATOM 2535 O O . PRO A 1 151 ? -20.884 30.932 -26.234 1.00 19.12 ? 141 PRO A O 1 +ATOM 2536 C CB . PRO A 1 151 ? -22.035 31.273 -29.203 1.00 22.63 ? 141 PRO A CB 1 +ATOM 2537 C CG . PRO A 1 151 ? -22.593 30.093 -29.955 1.00 22.00 ? 141 PRO A CG 1 +ATOM 2538 C CD . PRO A 1 151 ? -22.229 28.915 -29.105 1.00 18.04 ? 141 PRO A CD 1 +ATOM 2539 H HA . PRO A 1 151 ? -19.972 30.927 -29.227 1.00 23.85 ? 141 PRO A HA 1 +ATOM 2540 H HB2 . PRO A 1 151 ? -22.628 31.546 -28.486 1.00 27.15 ? 141 PRO A HB2 1 +ATOM 2541 H HB3 . PRO A 1 151 ? -21.867 32.021 -29.798 1.00 27.15 ? 141 PRO A HB3 1 +ATOM 2542 H HG2 . PRO A 1 151 ? -23.555 30.177 -30.043 1.00 26.40 ? 141 PRO A HG2 1 +ATOM 2543 H HG3 . PRO A 1 151 ? -22.184 30.031 -30.832 1.00 26.40 ? 141 PRO A HG3 1 +ATOM 2544 H HD2 . PRO A 1 151 ? -22.885 28.775 -28.405 1.00 21.65 ? 141 PRO A HD2 1 +ATOM 2545 H HD3 . PRO A 1 151 ? -22.141 28.112 -29.642 1.00 21.65 ? 141 PRO A HD3 1 +ATOM 2546 N N . ARG A 1 152 ? -19.733 32.509 -27.357 1.00 20.55 ? 142 ARG A N 1 +ATOM 2547 C CA A ARG A 1 152 ? -19.456 33.275 -26.146 0.54 24.03 ? 142 ARG A CA 1 +ATOM 2548 C CA B ARG A 1 152 ? -19.457 33.271 -26.145 0.46 19.67 ? 142 ARG A CA 1 +ATOM 2549 C C . ARG A 1 152 ? -20.733 33.568 -25.360 1.00 18.71 ? 142 ARG A C 1 +ATOM 2550 O O . ARG A 1 152 ? -20.745 33.537 -24.126 1.00 20.15 ? 142 ARG A O 1 +ATOM 2551 C CB A ARG A 1 152 ? -18.765 34.590 -26.515 0.54 35.57 ? 142 ARG A CB 1 +ATOM 2552 C CB B ARG A 1 152 ? -18.763 34.590 -26.498 0.46 18.66 ? 142 ARG A CB 1 +ATOM 2553 C CG A ARG A 1 152 ? -18.522 35.519 -25.344 0.54 28.36 ? 142 ARG A CG 1 +ATOM 2554 C CG B ARG A 1 152 ? -18.684 35.581 -25.332 0.46 27.14 ? 142 ARG A CG 1 +ATOM 2555 C CD A ARG A 1 152 ? -17.933 36.847 -25.787 0.54 33.91 ? 142 ARG A CD 1 +ATOM 2556 C CD B ARG A 1 152 ? -18.059 36.898 -25.752 0.46 35.05 ? 142 ARG A CD 1 +ATOM 2557 N NE A ARG A 1 152 ? -17.591 37.643 -24.610 0.54 54.69 ? 142 ARG A NE 1 +ATOM 2558 N NE B ARG A 1 152 ? -16.989 37.290 -24.836 0.46 40.24 ? 142 ARG A NE 1 +ATOM 2559 C CZ A ARG A 1 152 ? -16.359 37.808 -24.134 0.54 46.38 ? 142 ARG A CZ 1 +ATOM 2560 C CZ B ARG A 1 152 ? -17.153 37.986 -23.714 0.46 55.66 ? 142 ARG A CZ 1 +ATOM 2561 N NH1 A ARG A 1 152 ? -16.177 38.542 -23.046 0.54 88.15 ? 142 ARG A NH1 1 +ATOM 2562 N NH1 B ARG A 1 152 ? -16.094 38.276 -22.975 0.46 82.11 ? 142 ARG A NH1 1 +ATOM 2563 N NH2 A ARG A 1 152 ? -15.314 37.265 -24.748 0.54 34.07 ? 142 ARG A NH2 1 +ATOM 2564 N NH2 B ARG A 1 152 ? -18.357 38.396 -23.324 0.46 41.89 ? 142 ARG A NH2 1 +ATOM 2565 H H A ARG A 1 152 ? -19.409 32.848 -28.078 0.54 24.66 ? 142 ARG A H 1 +ATOM 2566 H H B ARG A 1 152 ? -19.410 32.849 -28.078 0.46 24.66 ? 142 ARG A H 1 +ATOM 2567 H HA A ARG A 1 152 ? -18.864 32.754 -25.581 0.54 28.83 ? 142 ARG A HA 1 +ATOM 2568 H HA B ARG A 1 152 ? -18.865 32.742 -25.587 0.46 23.60 ? 142 ARG A HA 1 +ATOM 2569 H HB2 A ARG A 1 152 ? -17.904 34.387 -26.912 0.54 42.69 ? 142 ARG A HB2 1 +ATOM 2570 H HB2 B ARG A 1 152 ? -17.857 34.398 -26.784 0.46 22.39 ? 142 ARG A HB2 1 +ATOM 2571 H HB3 A ARG A 1 152 ? -19.321 35.063 -27.154 0.54 42.69 ? 142 ARG A HB3 1 +ATOM 2572 H HB3 B ARG A 1 152 ? -19.255 35.017 -27.217 0.46 22.39 ? 142 ARG A HB3 1 +ATOM 2573 H HG2 A ARG A 1 152 ? -19.364 35.695 -24.895 0.54 34.04 ? 142 ARG A HG2 1 +ATOM 2574 H HG2 B ARG A 1 152 ? -19.579 35.761 -25.004 0.46 32.57 ? 142 ARG A HG2 1 +ATOM 2575 H HG3 A ARG A 1 152 ? -17.899 35.101 -24.729 0.54 34.04 ? 142 ARG A HG3 1 +ATOM 2576 H HG3 B ARG A 1 152 ? -18.142 35.200 -24.624 0.46 32.57 ? 142 ARG A HG3 1 +ATOM 2577 H HD2 A ARG A 1 152 ? -17.129 36.693 -26.307 0.54 40.70 ? 142 ARG A HD2 1 +ATOM 2578 H HD2 B ARG A 1 152 ? -17.683 36.808 -26.642 0.46 42.06 ? 142 ARG A HD2 1 +ATOM 2579 H HD3 A ARG A 1 152 ? -18.583 37.334 -26.317 0.54 40.70 ? 142 ARG A HD3 1 +ATOM 2580 H HD3 B ARG A 1 152 ? -18.736 37.593 -25.748 0.46 42.06 ? 142 ARG A HD3 1 +ATOM 2581 H HE A ARG A 1 152 ? -18.234 38.034 -24.193 0.54 65.63 ? 142 ARG A HE 1 +ATOM 2582 H HE B ARG A 1 152 ? -16.189 37.050 -25.039 0.46 48.29 ? 142 ARG A HE 1 +ATOM 2583 H HH11 A ARG A 1 152 ? -16.851 38.905 -22.655 0.54 105.78 ? 142 ARG A HH11 1 +ATOM 2584 H HH11 B ARG A 1 152 ? -15.312 38.014 -23.222 0.46 98.53 ? 142 ARG A HH11 1 +ATOM 2585 H HH12 A ARG A 1 152 ? -15.385 38.654 -22.731 0.54 105.78 ? 142 ARG A HH12 1 +ATOM 2586 H HH12 B ARG A 1 152 ? -16.186 38.725 -22.248 0.46 98.53 ? 142 ARG A HH12 1 +ATOM 2587 H HH21 A ARG A 1 152 ? -15.429 36.800 -25.462 0.54 40.88 ? 142 ARG A HH21 1 +ATOM 2588 H HH21 B ARG A 1 152 ? -19.049 38.212 -23.799 0.46 50.27 ? 142 ARG A HH21 1 +ATOM 2589 H HH22 A ARG A 1 152 ? -14.523 37.379 -24.431 0.54 40.88 ? 142 ARG A HH22 1 +ATOM 2590 H HH22 B ARG A 1 152 ? -18.443 38.845 -22.595 0.46 50.27 ? 142 ARG A HH22 1 +ATOM 2591 N N . GLU A 1 153 ? -21.824 33.888 -26.053 1.00 19.83 ? 143 GLU A N 1 +ATOM 2592 C CA . GLU A 1 153 ? -23.067 34.181 -25.364 1.00 20.98 ? 143 GLU A CA 1 +ATOM 2593 C C . GLU A 1 153 ? -23.522 33.048 -24.467 1.00 18.41 ? 143 GLU A C 1 +ATOM 2594 O O . GLU A 1 153 ? -24.141 33.308 -23.416 1.00 20.53 ? 143 GLU A O 1 +ATOM 2595 C CB . GLU A 1 153 ? -24.164 34.529 -26.391 1.00 25.90 ? 143 GLU A CB 1 +ATOM 2596 C CG . GLU A 1 153 ? -25.612 34.427 -25.925 1.00 74.38 ? 143 GLU A CG 1 +ATOM 2597 C CD . GLU A 1 153 ? -26.642 34.793 -27.010 1.00 98.04 ? 143 GLU A CD 1 +ATOM 2598 O OE1 . GLU A 1 153 ? -26.723 34.095 -28.048 1.00 55.09 ? 143 GLU A OE1 1 +ATOM 2599 O OE2 . GLU A 1 153 ? -27.382 35.782 -26.812 1.00 86.62 ? 143 GLU A OE2 1 +ATOM 2600 H H . GLU A 1 153 ? -21.866 33.940 -26.910 1.00 23.79 ? 143 GLU A H 1 +ATOM 2601 H HA . GLU A 1 153 ? -22.916 34.951 -24.793 1.00 25.18 ? 143 GLU A HA 1 +ATOM 2602 H HB2 . GLU A 1 153 ? -24.025 35.445 -26.679 1.00 31.08 ? 143 GLU A HB2 1 +ATOM 2603 H HB3 . GLU A 1 153 ? -24.069 33.926 -27.146 1.00 31.08 ? 143 GLU A HB3 1 +ATOM 2604 H HG2 . GLU A 1 153 ? -25.787 33.514 -25.647 1.00 89.26 ? 143 GLU A HG2 1 +ATOM 2605 H HG3 . GLU A 1 153 ? -25.743 35.032 -25.178 1.00 89.26 ? 143 GLU A HG3 1 +ATOM 2606 N N . TYR A 1 154 ? -23.333 31.807 -24.921 1.00 18.19 ? 144 TYR A N 1 +ATOM 2607 C CA . TYR A 1 154 ? -23.728 30.663 -24.099 1.00 17.84 ? 144 TYR A CA 1 +ATOM 2608 C C . TYR A 1 154 ? -22.850 30.590 -22.869 1.00 17.20 ? 144 TYR A C 1 +ATOM 2609 O O . TYR A 1 154 ? -23.360 30.434 -21.765 1.00 17.60 ? 144 TYR A O 1 +ATOM 2610 C CB . TYR A 1 154 ? -23.636 29.348 -24.903 1.00 17.70 ? 144 TYR A CB 1 +ATOM 2611 C CG . TYR A 1 154 ? -24.696 29.168 -26.020 1.00 18.06 ? 144 TYR A CG 1 +ATOM 2612 C CD1 . TYR A 1 154 ? -25.426 30.225 -26.510 1.00 20.74 ? 144 TYR A CD1 1 +ATOM 2613 C CD2 . TYR A 1 154 ? -24.843 27.932 -26.592 1.00 18.91 ? 144 TYR A CD2 1 +ATOM 2614 C CE1 . TYR A 1 154 ? -26.334 30.021 -27.552 1.00 22.51 ? 144 TYR A CE1 1 +ATOM 2615 C CE2 . TYR A 1 154 ? -25.736 27.708 -27.618 1.00 20.33 ? 144 TYR A CE2 1 +ATOM 2616 C CZ . TYR A 1 154 ? -26.451 28.745 -28.069 1.00 22.15 ? 144 TYR A CZ 1 +ATOM 2617 O OH . TYR A 1 154 ? -27.369 28.583 -29.111 1.00 25.92 ? 144 TYR A OH 1 +ATOM 2618 H H . TYR A 1 154 ? -22.988 31.605 -25.682 1.00 21.83 ? 144 TYR A H 1 +ATOM 2619 H HA . TYR A 1 154 ? -24.654 30.771 -23.831 1.00 21.40 ? 144 TYR A HA 1 +ATOM 2620 H HB2 . TYR A 1 154 ? -22.764 29.310 -25.326 1.00 21.23 ? 144 TYR A HB2 1 +ATOM 2621 H HB3 . TYR A 1 154 ? -23.739 28.606 -24.287 1.00 21.23 ? 144 TYR A HB3 1 +ATOM 2622 H HD1 . TYR A 1 154 ? -25.315 31.075 -26.148 1.00 24.89 ? 144 TYR A HD1 1 +ATOM 2623 H HD2 . TYR A 1 154 ? -24.326 27.225 -26.279 1.00 22.70 ? 144 TYR A HD2 1 +ATOM 2624 H HE1 . TYR A 1 154 ? -26.844 30.722 -27.887 1.00 27.01 ? 144 TYR A HE1 1 +ATOM 2625 H HE2 . TYR A 1 154 ? -25.839 26.860 -27.987 1.00 24.40 ? 144 TYR A HE2 1 +ATOM 2626 H HH . TYR A 1 154 ? -27.352 27.790 -29.388 1.00 31.10 ? 144 TYR A HH 1 +ATOM 2627 N N . TYR A 1 155 ? -21.541 30.688 -23.044 1.00 16.50 ? 145 TYR A N 1 +ATOM 2628 C CA . TYR A 1 155 ? -20.648 30.648 -21.890 1.00 16.82 ? 145 TYR A CA 1 +ATOM 2629 C C . TYR A 1 155 ? -20.982 31.763 -20.910 1.00 18.28 ? 145 TYR A C 1 +ATOM 2630 O O . TYR A 1 155 ? -20.912 31.557 -19.690 1.00 17.87 ? 145 TYR A O 1 +ATOM 2631 C CB . TYR A 1 155 ? -19.204 30.759 -22.364 1.00 17.41 ? 145 TYR A CB 1 +ATOM 2632 C CG . TYR A 1 155 ? -18.668 29.616 -23.204 1.00 15.84 ? 145 TYR A CG 1 +ATOM 2633 C CD1 . TYR A 1 155 ? -19.118 28.321 -23.072 1.00 16.39 ? 145 TYR A CD1 1 +ATOM 2634 C CD2 . TYR A 1 155 ? -17.616 29.844 -24.098 1.00 16.88 ? 145 TYR A CD2 1 +ATOM 2635 C CE1 . TYR A 1 155 ? -18.596 27.288 -23.819 1.00 15.35 ? 145 TYR A CE1 1 +ATOM 2636 C CE2 . TYR A 1 155 ? -17.089 28.836 -24.813 1.00 18.93 ? 145 TYR A CE2 1 +ATOM 2637 C CZ . TYR A 1 155 ? -17.549 27.560 -24.693 1.00 15.99 ? 145 TYR A CZ 1 +ATOM 2638 O OH . TYR A 1 155 ? -16.933 26.560 -25.431 1.00 16.36 ? 145 TYR A OH 1 +ATOM 2639 H H . TYR A 1 155 ? -21.148 30.777 -23.804 1.00 19.80 ? 145 TYR A H 1 +ATOM 2640 H HA . TYR A 1 155 ? -20.751 29.801 -21.427 1.00 20.18 ? 145 TYR A HA 1 +ATOM 2641 H HB2 . TYR A 1 155 ? -19.126 31.564 -22.899 1.00 20.89 ? 145 TYR A HB2 1 +ATOM 2642 H HB3 . TYR A 1 155 ? -18.636 30.825 -21.580 1.00 20.89 ? 145 TYR A HB3 1 +ATOM 2643 H HD1 . TYR A 1 155 ? -19.795 28.138 -22.460 1.00 19.67 ? 145 TYR A HD1 1 +ATOM 2644 H HD2 . TYR A 1 155 ? -17.277 30.704 -24.198 1.00 20.25 ? 145 TYR A HD2 1 +ATOM 2645 H HE1 . TYR A 1 155 ? -18.937 26.426 -23.740 1.00 18.42 ? 145 TYR A HE1 1 +ATOM 2646 H HE2 . TYR A 1 155 ? -16.394 29.014 -25.405 1.00 22.71 ? 145 TYR A HE2 1 +ATOM 2647 H HH . TYR A 1 155 ? -17.285 25.817 -25.258 1.00 19.64 ? 145 TYR A HH 1 +ATOM 2648 N N . GLU A 1 156 ? -21.352 32.940 -21.413 1.00 17.63 ? 146 GLU A N 1 +ATOM 2649 C CA A GLU A 1 156 ? -21.739 34.067 -20.566 0.41 20.64 ? 146 GLU A CA 1 +ATOM 2650 C CA B GLU A 1 156 ? -21.714 34.048 -20.535 0.59 19.40 ? 146 GLU A CA 1 +ATOM 2651 C C . GLU A 1 156 ? -22.990 33.740 -19.765 1.00 18.42 ? 146 GLU A C 1 +ATOM 2652 O O . GLU A 1 156 ? -23.055 33.970 -18.544 1.00 19.55 ? 146 GLU A O 1 +ATOM 2653 C CB A GLU A 1 156 ? -22.021 35.292 -21.451 0.41 28.70 ? 146 GLU A CB 1 +ATOM 2654 C CB B GLU A 1 156 ? -21.871 35.310 -21.389 0.59 20.20 ? 146 GLU A CB 1 +ATOM 2655 C CG A GLU A 1 156 ? -20.799 36.081 -21.895 0.41 42.03 ? 146 GLU A CG 1 +ATOM 2656 C CG B GLU A 1 156 ? -22.072 36.603 -20.611 0.59 45.33 ? 146 GLU A CG 1 +ATOM 2657 C CD A GLU A 1 156 ? -21.130 37.291 -22.779 0.41 52.58 ? 146 GLU A CD 1 +ATOM 2658 C CD B GLU A 1 156 ? -21.837 37.860 -21.444 0.59 33.02 ? 146 GLU A CD 1 +ATOM 2659 O OE1 A GLU A 1 156 ? -22.151 37.280 -23.523 0.41 28.21 ? 146 GLU A OE1 1 +ATOM 2660 O OE1 B GLU A 1 156 ? -22.096 37.838 -22.663 0.59 51.38 ? 146 GLU A OE1 1 +ATOM 2661 O OE2 A GLU A 1 156 ? -20.344 38.258 -22.719 0.41 51.09 ? 146 GLU A OE2 1 +ATOM 2662 O OE2 B GLU A 1 156 ? -21.411 38.873 -20.851 0.59 44.83 ? 146 GLU A OE2 1 +ATOM 2663 H H A GLU A 1 156 ? -21.388 33.117 -22.254 0.41 21.16 ? 146 GLU A H 1 +ATOM 2664 H H B GLU A 1 156 ? -21.401 33.122 -22.252 0.59 21.16 ? 146 GLU A H 1 +ATOM 2665 H HA A GLU A 1 156 ? -21.012 34.264 -19.954 0.41 24.77 ? 146 GLU A HA 1 +ATOM 2666 H HA B GLU A 1 156 ? -21.015 34.202 -19.881 0.59 23.28 ? 146 GLU A HA 1 +ATOM 2667 H HB2 A GLU A 1 156 ? -22.474 34.989 -22.254 0.41 34.44 ? 146 GLU A HB2 1 +ATOM 2668 H HB2 B GLU A 1 156 ? -21.070 35.417 -21.926 0.59 24.25 ? 146 GLU A HB2 1 +ATOM 2669 H HB3 A GLU A 1 156 ? -22.592 35.900 -20.957 0.41 34.44 ? 146 GLU A HB3 1 +ATOM 2670 H HB3 B GLU A 1 156 ? -22.643 35.195 -21.964 0.59 24.25 ? 146 GLU A HB3 1 +ATOM 2671 H HG2 A GLU A 1 156 ? -20.336 36.408 -21.107 0.41 50.44 ? 146 GLU A HG2 1 +ATOM 2672 H HG2 B GLU A 1 156 ? -22.984 36.632 -20.281 0.59 54.40 ? 146 GLU A HG2 1 +ATOM 2673 H HG3 A GLU A 1 156 ? -20.216 35.495 -22.402 0.41 50.44 ? 146 GLU A HG3 1 +ATOM 2674 H HG3 B GLU A 1 156 ? -21.449 36.621 -19.867 0.59 54.40 ? 146 GLU A HG3 1 +ATOM 2675 N N . LYS A 1 157 ? -24.016 33.203 -20.430 1.00 19.21 ? 147 LYS A N 1 +ATOM 2676 C CA . LYS A 1 157 ? -25.249 32.836 -19.746 1.00 19.18 ? 147 LYS A CA 1 +ATOM 2677 C C . LYS A 1 157 ? -24.989 31.792 -18.656 1.00 18.43 ? 147 LYS A C 1 +ATOM 2678 O O . LYS A 1 157 ? -25.565 31.857 -17.549 1.00 19.11 ? 147 LYS A O 1 +ATOM 2679 C CB . LYS A 1 157 ? -26.265 32.295 -20.757 1.00 18.36 ? 147 LYS A CB 1 +ATOM 2680 C CG . LYS A 1 157 ? -26.979 33.384 -21.538 1.00 21.85 ? 147 LYS A CG 1 +ATOM 2681 C CD . LYS A 1 157 ? -27.726 32.852 -22.742 1.00 24.12 ? 147 LYS A CD 1 +ATOM 2682 C CE . LYS A 1 157 ? -28.501 34.013 -23.459 1.00 38.79 ? 147 LYS A CE 1 +ATOM 2683 N NZ . LYS A 1 157 ? -29.134 33.541 -24.723 1.00 93.87 ? 147 LYS A NZ 1 +ATOM 2684 H H . LYS A 1 157 ? -24.021 33.042 -21.274 1.00 23.05 ? 147 LYS A H 1 +ATOM 2685 H HA . LYS A 1 157 ? -25.621 33.628 -19.328 1.00 23.01 ? 147 LYS A HA 1 +ATOM 2686 H HB2 . LYS A 1 157 ? -25.802 31.728 -21.393 1.00 22.03 ? 147 LYS A HB2 1 +ATOM 2687 H HB3 . LYS A 1 157 ? -26.936 31.781 -20.282 1.00 22.03 ? 147 LYS A HB3 1 +ATOM 2688 H HG2 . LYS A 1 157 ? -27.621 33.820 -20.957 1.00 26.22 ? 147 LYS A HG2 1 +ATOM 2689 H HG3 . LYS A 1 157 ? -26.325 34.028 -21.853 1.00 26.22 ? 147 LYS A HG3 1 +ATOM 2690 H HD2 . LYS A 1 157 ? -27.096 32.466 -23.371 1.00 28.95 ? 147 LYS A HD2 1 +ATOM 2691 H HD3 . LYS A 1 157 ? -28.366 32.181 -22.459 1.00 28.95 ? 147 LYS A HD3 1 +ATOM 2692 H HE2 . LYS A 1 157 ? -29.199 34.344 -22.872 1.00 46.55 ? 147 LYS A HE2 1 +ATOM 2693 H HE3 . LYS A 1 157 ? -27.883 34.728 -23.675 1.00 46.55 ? 147 LYS A HE3 1 +ATOM 2694 H HZ1 . LYS A 1 157 ? -29.559 34.214 -25.121 1.00 112.64 ? 147 LYS A HZ1 1 +ATOM 2695 H HZ2 . LYS A 1 157 ? -28.512 33.225 -25.275 1.00 112.64 ? 147 LYS A HZ2 1 +ATOM 2696 H HZ3 . LYS A 1 157 ? -29.719 32.894 -24.547 1.00 112.64 ? 147 LYS A HZ3 1 +ATOM 2697 N N . TRP A 1 158 ? -24.106 30.829 -18.918 1.00 16.35 ? 148 TRP A N 1 +ATOM 2698 C CA . TRP A 1 158 ? -23.860 29.780 -17.935 1.00 16.27 ? 148 TRP A CA 1 +ATOM 2699 C C . TRP A 1 158 ? -23.059 30.315 -16.764 1.00 17.10 ? 148 TRP A C 1 +ATOM 2700 O O . TRP A 1 158 ? -23.251 29.846 -15.640 1.00 17.52 ? 148 TRP A O 1 +ATOM 2701 C CB . TRP A 1 158 ? -23.138 28.607 -18.607 1.00 16.34 ? 148 TRP A CB 1 +ATOM 2702 C CG . TRP A 1 158 ? -23.954 27.967 -19.697 1.00 16.21 ? 148 TRP A CG 1 +ATOM 2703 C CD1 . TRP A 1 158 ? -25.321 28.033 -19.821 1.00 16.52 ? 148 TRP A CD1 1 +ATOM 2704 C CD2 . TRP A 1 158 ? -23.462 27.278 -20.828 1.00 15.66 ? 148 TRP A CD2 1 +ATOM 2705 N NE1 . TRP A 1 158 ? -25.726 27.398 -20.971 1.00 16.87 ? 148 TRP A NE1 1 +ATOM 2706 C CE2 . TRP A 1 158 ? -24.606 26.871 -21.585 1.00 16.11 ? 148 TRP A CE2 1 +ATOM 2707 C CE3 . TRP A 1 158 ? -22.186 26.865 -21.237 1.00 15.10 ? 148 TRP A CE3 1 +ATOM 2708 C CZ2 . TRP A 1 158 ? -24.479 26.168 -22.774 1.00 16.38 ? 148 TRP A CZ2 1 +ATOM 2709 C CZ3 . TRP A 1 158 ? -22.082 26.174 -22.453 1.00 15.17 ? 148 TRP A CZ3 1 +ATOM 2710 C CH2 . TRP A 1 158 ? -23.228 25.801 -23.185 1.00 15.86 ? 148 TRP A CH2 1 +ATOM 2711 H H . TRP A 1 158 ? -23.647 30.763 -19.642 1.00 19.62 ? 148 TRP A H 1 +ATOM 2712 H HA . TRP A 1 158 ? -24.702 29.445 -17.591 1.00 19.53 ? 148 TRP A HA 1 +ATOM 2713 H HB2 . TRP A 1 158 ? -22.311 28.929 -19.000 1.00 19.61 ? 148 TRP A HB2 1 +ATOM 2714 H HB3 . TRP A 1 158 ? -22.946 27.930 -17.939 1.00 19.61 ? 148 TRP A HB3 1 +ATOM 2715 H HD1 . TRP A 1 158 ? -25.890 28.448 -19.214 1.00 19.83 ? 148 TRP A HD1 1 +ATOM 2716 H HE1 . TRP A 1 158 ? -26.534 27.338 -21.258 1.00 20.25 ? 148 TRP A HE1 1 +ATOM 2717 H HE3 . TRP A 1 158 ? -21.435 27.043 -20.719 1.00 18.13 ? 148 TRP A HE3 1 +ATOM 2718 H HZ2 . TRP A 1 158 ? -25.229 25.951 -23.280 1.00 19.66 ? 148 TRP A HZ2 1 +ATOM 2719 H HZ3 . TRP A 1 158 ? -21.240 25.957 -22.783 1.00 18.21 ? 148 TRP A HZ3 1 +ATOM 2720 H HH2 . TRP A 1 158 ? -23.131 25.297 -23.961 1.00 19.03 ? 148 TRP A HH2 1 +ATOM 2721 N N . LYS A 1 159 ? -22.195 31.299 -16.985 1.00 16.30 ? 149 LYS A N 1 +ATOM 2722 C CA . LYS A 1 159 ? -21.485 31.952 -15.899 1.00 16.91 ? 149 LYS A CA 1 +ATOM 2723 C C . LYS A 1 159 ? -22.465 32.732 -15.015 1.00 18.67 ? 149 LYS A C 1 +ATOM 2724 O O . LYS A 1 159 ? -22.436 32.596 -13.783 1.00 18.85 ? 149 LYS A O 1 +ATOM 2725 C CB . LYS A 1 159 ? -20.389 32.865 -16.442 1.00 18.20 ? 149 LYS A CB 1 +ATOM 2726 C CG . LYS A 1 159 ? -19.453 33.394 -15.346 1.00 19.07 ? 149 LYS A CG 1 +ATOM 2727 C CD . LYS A 1 159 ? -18.543 32.310 -14.833 1.00 20.13 ? 149 LYS A CD 1 +ATOM 2728 C CE . LYS A 1 159 ? -17.531 32.868 -13.790 1.00 23.07 ? 149 LYS A CE 1 +ATOM 2729 N NZ . LYS A 1 159 ? -18.147 33.507 -12.612 1.00 29.88 ? 149 LYS A NZ 1 +ATOM 2730 H H . LYS A 1 159 ? -22.000 31.609 -17.763 1.00 19.56 ? 149 LYS A H 1 +ATOM 2731 H HA . LYS A 1 159 ? -21.046 31.280 -15.356 1.00 20.29 ? 149 LYS A HA 1 +ATOM 2732 H HB2 . LYS A 1 159 ? -19.852 32.368 -17.080 1.00 21.84 ? 149 LYS A HB2 1 +ATOM 2733 H HB3 . LYS A 1 159 ? -20.801 33.627 -16.877 1.00 21.84 ? 149 LYS A HB3 1 +ATOM 2734 H HG2 . LYS A 1 159 ? -18.904 34.107 -15.708 1.00 22.89 ? 149 LYS A HG2 1 +ATOM 2735 H HG3 . LYS A 1 159 ? -19.981 33.725 -14.603 1.00 22.89 ? 149 LYS A HG3 1 +ATOM 2736 H HD2 . LYS A 1 159 ? -19.074 31.620 -14.405 1.00 24.16 ? 149 LYS A HD2 1 +ATOM 2737 H HD3 . LYS A 1 159 ? -18.043 31.932 -15.573 1.00 24.16 ? 149 LYS A HD3 1 +ATOM 2738 H HE2 . LYS A 1 159 ? -16.981 32.135 -13.470 1.00 27.69 ? 149 LYS A HE2 1 +ATOM 2739 H HE3 . LYS A 1 159 ? -16.975 33.534 -14.225 1.00 27.69 ? 149 LYS A HE3 1 +ATOM 2740 H HZ1 . LYS A 1 159 ? -17.514 33.794 -12.056 1.00 35.86 ? 149 LYS A HZ1 1 +ATOM 2741 H HZ2 . LYS A 1 159 ? -18.644 34.200 -12.866 1.00 35.86 ? 149 LYS A HZ2 1 +ATOM 2742 H HZ3 . LYS A 1 159 ? -18.664 32.922 -12.184 1.00 35.86 ? 149 LYS A HZ3 1 +ATOM 2743 N N . GLU A 1 160 ? -23.382 33.478 -15.617 1.00 19.44 ? 150 GLU A N 1 +ATOM 2744 C CA . GLU A 1 160 ? -24.371 34.200 -14.849 1.00 19.87 ? 150 GLU A CA 1 +ATOM 2745 C C . GLU A 1 160 ? -25.287 33.248 -14.122 1.00 20.67 ? 150 GLU A C 1 +ATOM 2746 O O . GLU A 1 160 ? -25.742 33.560 -13.021 1.00 22.53 ? 150 GLU A O 1 +ATOM 2747 C CB . GLU A 1 160 ? -25.190 35.060 -15.793 1.00 25.21 ? 150 GLU A CB 1 +ATOM 2748 C CG . GLU A 1 160 ? -24.410 36.123 -16.520 1.00 66.89 ? 150 GLU A CG 1 +ATOM 2749 C CD . GLU A 1 160 ? -24.952 37.515 -16.275 0.00 23.15 ? 150 GLU A CD 1 +ATOM 2750 O OE1 . GLU A 1 160 ? -25.232 37.851 -15.103 0.85 81.32 ? 150 GLU A OE1 1 +ATOM 2751 O OE2 . GLU A 1 160 ? -25.098 38.267 -17.261 0.51 60.67 ? 150 GLU A OE2 1 +ATOM 2752 H H . GLU A 1 160 ? -23.449 33.580 -16.468 1.00 23.33 ? 150 GLU A H 1 +ATOM 2753 H HA . GLU A 1 160 ? -23.930 34.767 -14.197 1.00 23.84 ? 150 GLU A HA 1 +ATOM 2754 H HB2 . GLU A 1 160 ? -25.593 34.485 -16.462 1.00 30.26 ? 150 GLU A HB2 1 +ATOM 2755 H HB3 . GLU A 1 160 ? -25.882 35.507 -15.279 1.00 30.26 ? 150 GLU A HB3 1 +ATOM 2756 H HG2 . GLU A 1 160 ? -23.489 36.102 -16.218 1.00 80.27 ? 150 GLU A HG2 1 +ATOM 2757 H HG3 . GLU A 1 160 ? -24.451 35.948 -17.473 1.00 80.27 ? 150 GLU A HG3 1 +ATOM 2758 N N . ALA A 1 161 ? -25.530 32.057 -14.674 1.00 20.33 ? 151 ALA A N 1 +ATOM 2759 C CA . ALA A 1 161 ? -26.330 31.036 -13.984 1.00 18.60 ? 151 ALA A CA 1 +ATOM 2760 C C . ALA A 1 161 ? -25.615 30.484 -12.774 1.00 20.53 ? 151 ALA A C 1 +ATOM 2761 O O . ALA A 1 161 ? -26.228 29.767 -11.964 1.00 20.30 ? 151 ALA A O 1 +ATOM 2762 C CB . ALA A 1 161 ? -26.664 29.878 -14.935 1.00 20.20 ? 151 ALA A CB 1 +ATOM 2763 H H . ALA A 1 161 ? -25.245 31.812 -15.448 1.00 24.39 ? 151 ALA A H 1 +ATOM 2764 H HA . ALA A 1 161 ? -27.163 31.445 -13.701 1.00 22.32 ? 151 ALA A HA 1 +ATOM 2765 H HB1 . ALA A 1 161 ? -27.187 29.217 -14.455 1.00 24.24 ? 151 ALA A HB1 1 +ATOM 2766 H HB2 . ALA A 1 161 ? -27.174 30.222 -15.685 1.00 24.24 ? 151 ALA A HB2 1 +ATOM 2767 H HB3 . ALA A 1 161 ? -25.838 29.481 -15.252 1.00 24.24 ? 151 ALA A HB3 1 +ATOM 2768 N N . GLY A 1 162 ? -24.303 30.682 -12.700 1.00 18.11 ? 152 GLY A N 1 +ATOM 2769 C CA . GLY A 1 162 ? -23.556 30.271 -11.514 1.00 18.74 ? 152 GLY A CA 1 +ATOM 2770 C C . GLY A 1 162 ? -22.476 29.230 -11.756 1.00 18.37 ? 152 GLY A C 1 +ATOM 2771 O O . GLY A 1 162 ? -21.821 28.800 -10.794 1.00 18.52 ? 152 GLY A O 1 +ATOM 2772 H H . GLY A 1 162 ? -23.828 31.049 -13.316 1.00 21.73 ? 152 GLY A H 1 +ATOM 2773 H HA2 . GLY A 1 162 ? -23.130 31.053 -11.131 1.00 22.49 ? 152 GLY A HA2 1 +ATOM 2774 H HA3 . GLY A 1 162 ? -24.180 29.902 -10.869 1.00 22.49 ? 152 GLY A HA3 1 +ATOM 2775 N N . ALA A 1 163 ? -22.196 28.798 -12.978 1.00 16.50 ? 153 ALA A N 1 +ATOM 2776 C CA . ALA A 1 163 ? -21.151 27.834 -13.194 1.00 15.67 ? 153 ALA A CA 1 +ATOM 2777 C C . ALA A 1 163 ? -19.810 28.401 -12.734 1.00 16.22 ? 153 ALA A C 1 +ATOM 2778 O O . ALA A 1 163 ? -19.501 29.563 -12.946 1.00 18.06 ? 153 ALA A O 1 +ATOM 2779 C CB . ALA A 1 163 ? -21.065 27.453 -14.691 1.00 17.49 ? 153 ALA A CB 1 +ATOM 2780 H H . ALA A 1 163 ? -22.601 29.052 -13.693 1.00 19.80 ? 153 ALA A H 1 +ATOM 2781 H HA . ALA A 1 163 ? -21.348 27.031 -12.686 1.00 18.80 ? 153 ALA A HA 1 +ATOM 2782 H HB1 . ALA A 1 163 ? -20.353 26.805 -14.812 1.00 20.99 ? 153 ALA A HB1 1 +ATOM 2783 H HB2 . ALA A 1 163 ? -21.912 27.070 -14.969 1.00 20.99 ? 153 ALA A HB2 1 +ATOM 2784 H HB3 . ALA A 1 163 ? -20.877 28.251 -15.210 1.00 20.99 ? 153 ALA A HB3 1 +ATOM 2785 N N . ASP A 1 164 ? -19.012 27.543 -12.111 1.00 14.26 ? 154 ASP A N 1 +ATOM 2786 C CA . ASP A 1 164 ? -17.727 27.929 -11.563 1.00 15.25 ? 154 ASP A CA 1 +ATOM 2787 C C . ASP A 1 164 ? -16.536 27.631 -12.466 1.00 15.19 ? 154 ASP A C 1 +ATOM 2788 O O . ASP A 1 164 ? -15.568 28.394 -12.495 1.00 16.34 ? 154 ASP A O 1 +ATOM 2789 C CB . ASP A 1 164 ? -17.485 27.217 -10.205 1.00 15.06 ? 154 ASP A CB 1 +ATOM 2790 C CG . ASP A 1 164 ? -18.524 27.546 -9.180 1.00 16.18 ? 154 ASP A CG 1 +ATOM 2791 O OD1 . ASP A 1 164 ? -18.406 28.658 -8.613 1.00 19.40 ? 154 ASP A OD1 1 +ATOM 2792 O OD2 . ASP A 1 164 ? -19.463 26.757 -9.039 1.00 15.60 ? 154 ASP A OD2 1 +ATOM 2793 H H . ASP A 1 164 ? -19.201 26.712 -11.993 1.00 17.11 ? 154 ASP A H 1 +ATOM 2794 H HA . ASP A 1 164 ? -17.757 28.889 -11.423 1.00 18.30 ? 154 ASP A HA 1 +ATOM 2795 H HB2 . ASP A 1 164 ? -17.497 26.257 -10.345 1.00 18.07 ? 154 ASP A HB2 1 +ATOM 2796 H HB3 . ASP A 1 164 ? -16.623 27.490 -9.855 1.00 18.07 ? 154 ASP A HB3 1 +ATOM 2797 N N . ARG A 1 165 ? -16.572 26.499 -13.154 1.00 14.80 ? 155 ARG A N 1 +ATOM 2798 C CA . ARG A 1 165 ? -15.444 25.980 -13.905 1.00 13.33 ? 155 ARG A CA 1 +ATOM 2799 C C . ARG A 1 165 ? -15.910 25.436 -15.237 1.00 13.77 ? 155 ARG A C 1 +ATOM 2800 O O . ARG A 1 165 ? -17.068 25.094 -15.407 1.00 13.47 ? 155 ARG A O 1 +ATOM 2801 C CB . ARG A 1 165 ? -14.681 24.904 -13.127 1.00 14.20 ? 155 ARG A CB 1 +ATOM 2802 C CG . ARG A 1 165 ? -14.612 25.105 -11.618 1.00 14.41 ? 155 ARG A CG 1 +ATOM 2803 C CD . ARG A 1 165 ? -13.564 24.192 -10.987 1.00 15.04 ? 155 ARG A CD 1 +ATOM 2804 N NE . ARG A 1 165 ? -13.521 24.432 -9.540 1.00 16.40 ? 155 ARG A NE 1 +ATOM 2805 C CZ . ARG A 1 165 ? -13.987 23.617 -8.612 1.00 15.77 ? 155 ARG A CZ 1 +ATOM 2806 N NH1 . ARG A 1 165 ? -14.338 22.376 -8.855 1.00 15.47 ? 155 ARG A NH1 1 +ATOM 2807 N NH2 . ARG A 1 165 ? -14.089 24.072 -7.386 1.00 16.42 ? 155 ARG A NH2 1 +ATOM 2808 H H . ARG A 1 165 ? -17.267 25.995 -13.202 1.00 17.75 ? 155 ARG A H 1 +ATOM 2809 H HA . ARG A 1 165 ? -14.834 26.712 -14.086 1.00 16.00 ? 155 ARG A HA 1 +ATOM 2810 H HB2 . ARG A 1 165 ? -15.114 24.050 -13.284 1.00 17.04 ? 155 ARG A HB2 1 +ATOM 2811 H HB3 . ARG A 1 165 ? -13.769 24.879 -13.457 1.00 17.04 ? 155 ARG A HB3 1 +ATOM 2812 H HG2 . ARG A 1 165 ? -14.371 26.025 -11.426 1.00 17.29 ? 155 ARG A HG2 1 +ATOM 2813 H HG3 . ARG A 1 165 ? -15.475 24.899 -11.225 1.00 17.29 ? 155 ARG A HG3 1 +ATOM 2814 H HD2 . ARG A 1 165 ? -13.798 23.264 -11.144 1.00 18.05 ? 155 ARG A HD2 1 +ATOM 2815 H HD3 . ARG A 1 165 ? -12.691 24.382 -11.363 1.00 18.05 ? 155 ARG A HD3 1 +ATOM 2816 H HE . ARG A 1 165 ? -13.160 25.166 -9.274 1.00 19.68 ? 155 ARG A HE 1 +ATOM 2817 H HH11 . ARG A 1 165 ? -14.269 22.058 -9.651 1.00 18.56 ? 155 ARG A HH11 1 +ATOM 2818 H HH12 . ARG A 1 165 ? -14.637 21.881 -8.219 1.00 18.56 ? 155 ARG A HH12 1 +ATOM 2819 H HH21 . ARG A 1 165 ? -13.855 24.880 -7.206 1.00 19.70 ? 155 ARG A HH21 1 +ATOM 2820 H HH22 . ARG A 1 165 ? -14.390 23.563 -6.761 1.00 19.70 ? 155 ARG A HH22 1 +ATOM 2821 N N . TYR A 1 166 ? -14.955 25.348 -16.178 1.00 13.41 ? 156 TYR A N 1 +ATOM 2822 C CA . TYR A 1 166 ? -15.267 24.763 -17.480 1.00 12.42 ? 156 TYR A CA 1 +ATOM 2823 C C . TYR A 1 166 ? -14.078 23.924 -17.901 1.00 13.99 ? 156 TYR A C 1 +ATOM 2824 O O . TYR A 1 166 ? -12.963 24.433 -17.950 1.00 14.26 ? 156 TYR A O 1 +ATOM 2825 C CB . TYR A 1 166 ? -15.578 25.838 -18.501 1.00 12.86 ? 156 TYR A CB 1 +ATOM 2826 C CG . TYR A 1 166 ? -16.410 25.339 -19.688 1.00 13.25 ? 156 TYR A CG 1 +ATOM 2827 C CD1 . TYR A 1 166 ? -15.872 24.490 -20.650 1.00 12.84 ? 156 TYR A CD1 1 +ATOM 2828 C CD2 . TYR A 1 166 ? -17.739 25.655 -19.811 1.00 13.69 ? 156 TYR A CD2 1 +ATOM 2829 C CE1 . TYR A 1 166 ? -16.622 24.019 -21.719 1.00 13.24 ? 156 TYR A CE1 1 +ATOM 2830 C CE2 . TYR A 1 166 ? -18.513 25.173 -20.855 1.00 13.09 ? 156 TYR A CE2 1 +ATOM 2831 C CZ . TYR A 1 166 ? -17.937 24.373 -21.797 1.00 13.34 ? 156 TYR A CZ 1 +ATOM 2832 O OH . TYR A 1 166 ? -18.765 23.904 -22.806 1.00 14.09 ? 156 TYR A OH 1 +ATOM 2833 H H . TYR A 1 166 ? -14.143 25.615 -16.082 1.00 16.09 ? 156 TYR A H 1 +ATOM 2834 H HA . TYR A 1 166 ? -16.046 24.187 -17.425 1.00 14.90 ? 156 TYR A HA 1 +ATOM 2835 H HB2 . TYR A 1 166 ? -16.077 26.547 -18.066 1.00 15.44 ? 156 TYR A HB2 1 +ATOM 2836 H HB3 . TYR A 1 166 ? -14.743 26.187 -18.851 1.00 15.44 ? 156 TYR A HB3 1 +ATOM 2837 H HD1 . TYR A 1 166 ? -14.982 24.230 -20.575 1.00 15.41 ? 156 TYR A HD1 1 +ATOM 2838 H HD2 . TYR A 1 166 ? -18.132 26.208 -19.175 1.00 16.43 ? 156 TYR A HD2 1 +ATOM 2839 H HE1 . TYR A 1 166 ? -16.236 23.476 -22.368 1.00 15.89 ? 156 TYR A HE1 1 +ATOM 2840 H HE2 . TYR A 1 166 ? -19.415 25.394 -20.913 1.00 15.70 ? 156 TYR A HE2 1 +ATOM 2841 H HH . TYR A 1 166 ? -18.322 23.441 -23.349 1.00 16.91 ? 156 TYR A HH 1 +ATOM 2842 N N . LEU A 1 167 ? -14.326 22.668 -18.224 1.00 11.99 ? 157 LEU A N 1 +ATOM 2843 C CA . LEU A 1 167 ? -13.301 21.737 -18.683 1.00 12.83 ? 157 LEU A CA 1 +ATOM 2844 C C . LEU A 1 167 ? -13.458 21.560 -20.191 1.00 13.34 ? 157 LEU A C 1 +ATOM 2845 O O . LEU A 1 167 ? -14.470 21.005 -20.642 1.00 13.63 ? 157 LEU A O 1 +ATOM 2846 C CB . LEU A 1 167 ? -13.426 20.400 -17.980 1.00 14.17 ? 157 LEU A CB 1 +ATOM 2847 C CG . LEU A 1 167 ? -12.460 19.343 -18.478 1.00 14.28 ? 157 LEU A CG 1 +ATOM 2848 C CD1 . LEU A 1 167 ? -11.040 19.664 -18.163 1.00 16.61 ? 157 LEU A CD1 1 +ATOM 2849 C CD2 . LEU A 1 167 ? -12.860 18.061 -17.846 1.00 19.46 ? 157 LEU A CD2 1 +ATOM 2850 H H . LEU A 1 167 ? -15.108 22.314 -18.186 1.00 14.39 ? 157 LEU A H 1 +ATOM 2851 H HA . LEU A 1 167 ? -12.425 22.107 -18.493 1.00 15.40 ? 157 LEU A HA 1 +ATOM 2852 H HB2 . LEU A 1 167 ? -13.258 20.531 -17.034 1.00 17.01 ? 157 LEU A HB2 1 +ATOM 2853 H HB3 . LEU A 1 167 ? -14.326 20.064 -18.114 1.00 17.01 ? 157 LEU A HB3 1 +ATOM 2854 H HG . LEU A 1 167 ? -12.500 19.288 -19.446 1.00 17.14 ? 157 LEU A HG 1 +ATOM 2855 H HD11 . LEU A 1 167 ? -10.482 18.914 -18.423 1.00 19.94 ? 157 LEU A HD11 1 +ATOM 2856 H HD12 . LEU A 1 167 ? -10.779 20.458 -18.655 1.00 19.94 ? 157 LEU A HD12 1 +ATOM 2857 H HD13 . LEU A 1 167 ? -10.957 19.823 -17.209 1.00 19.94 ? 157 LEU A HD13 1 +ATOM 2858 H HD21 . LEU A 1 167 ? -12.798 17.351 -18.504 1.00 23.36 ? 157 LEU A HD21 1 +ATOM 2859 H HD22 . LEU A 1 167 ? -12.264 17.876 -17.103 1.00 23.36 ? 157 LEU A HD22 1 +ATOM 2860 H HD23 . LEU A 1 167 ? -13.772 18.137 -17.526 1.00 23.36 ? 157 LEU A HD23 1 +ATOM 2861 N N . LEU A 1 168 ? -12.489 22.052 -20.937 1.00 12.45 ? 158 LEU A N 1 +ATOM 2862 C CA . LEU A 1 168 ? -12.464 21.971 -22.415 1.00 12.01 ? 158 LEU A CA 1 +ATOM 2863 C C . LEU A 1 168 ? -11.056 21.501 -22.773 1.00 12.52 ? 158 LEU A C 1 +ATOM 2864 O O . LEU A 1 168 ? -10.172 22.297 -23.081 1.00 12.77 ? 158 LEU A O 1 +ATOM 2865 C CB . LEU A 1 168 ? -12.812 23.313 -23.004 1.00 13.90 ? 158 LEU A CB 1 +ATOM 2866 C CG . LEU A 1 168 ? -13.013 23.292 -24.541 1.00 13.57 ? 158 LEU A CG 1 +ATOM 2867 C CD1 . LEU A 1 168 ? -14.305 22.688 -24.886 1.00 16.21 ? 158 LEU A CD1 1 +ATOM 2868 C CD2 . LEU A 1 168 ? -12.974 24.712 -25.095 1.00 18.41 ? 158 LEU A CD2 1 +ATOM 2869 H H . LEU A 1 168 ? -11.802 22.456 -20.612 1.00 14.94 ? 158 LEU A H 1 +ATOM 2870 H HA . LEU A 1 168 ? -13.103 21.325 -22.756 1.00 14.42 ? 158 LEU A HA 1 +ATOM 2871 H HB2 . LEU A 1 168 ? -13.637 23.624 -22.601 1.00 16.68 ? 158 LEU A HB2 1 +ATOM 2872 H HB3 . LEU A 1 168 ? -12.092 23.934 -22.808 1.00 16.68 ? 158 LEU A HB3 1 +ATOM 2873 H HG . LEU A 1 168 ? -12.300 22.767 -24.938 1.00 16.29 ? 158 LEU A HG 1 +ATOM 2874 H HD11 . LEU A 1 168 ? -14.431 22.737 -25.847 1.00 19.45 ? 158 LEU A HD11 1 +ATOM 2875 H HD12 . LEU A 1 168 ? -14.307 21.761 -24.599 1.00 19.45 ? 158 LEU A HD12 1 +ATOM 2876 H HD13 . LEU A 1 168 ? -15.012 23.175 -24.435 1.00 19.45 ? 158 LEU A HD13 1 +ATOM 2877 H HD21 . LEU A 1 168 ? -13.090 24.679 -26.057 1.00 22.09 ? 158 LEU A HD21 1 +ATOM 2878 H HD22 . LEU A 1 168 ? -13.691 25.227 -24.693 1.00 22.09 ? 158 LEU A HD22 1 +ATOM 2879 H HD23 . LEU A 1 168 ? -12.118 25.112 -24.878 1.00 22.09 ? 158 LEU A HD23 1 +ATOM 2880 N N . ARG A 1 169 ? -10.852 20.185 -22.674 1.00 13.09 ? 159 ARG A N 1 +ATOM 2881 C CA . ARG A 1 169 ? -9.519 19.619 -22.930 1.00 12.94 ? 159 ARG A CA 1 +ATOM 2882 C C . ARG A 1 169 ? -9.072 20.043 -24.331 1.00 13.57 ? 159 ARG A C 1 +ATOM 2883 O O . ARG A 1 169 ? -9.855 19.990 -25.278 1.00 14.37 ? 159 ARG A O 1 +ATOM 2884 C CB . ARG A 1 169 ? -9.570 18.102 -22.758 1.00 13.63 ? 159 ARG A CB 1 +ATOM 2885 C CG . ARG A 1 169 ? -9.823 17.728 -21.292 1.00 13.48 ? 159 ARG A CG 1 +ATOM 2886 C CD . ARG A 1 169 ? -10.055 16.256 -21.059 1.00 15.89 ? 159 ARG A CD 1 +ATOM 2887 N NE . ARG A 1 169 ? -8.803 15.522 -21.301 1.00 14.63 ? 159 ARG A NE 1 +ATOM 2888 C CZ . ARG A 1 169 ? -8.677 14.201 -21.368 1.00 15.24 ? 159 ARG A CZ 1 +ATOM 2889 N NH1 . ARG A 1 169 ? -7.541 13.625 -21.688 1.00 16.68 ? 159 ARG A NH1 1 +ATOM 2890 N NH2 . ARG A 1 169 ? -9.723 13.474 -21.105 1.00 16.50 ? 159 ARG A NH2 1 +ATOM 2891 H H . ARG A 1 169 ? -11.454 19.607 -22.465 1.00 15.70 ? 159 ARG A H 1 +ATOM 2892 H HA . ARG A 1 169 ? -8.858 19.944 -22.299 1.00 15.53 ? 159 ARG A HA 1 +ATOM 2893 H HB2 . ARG A 1 169 ? -10.290 17.740 -23.298 1.00 16.36 ? 159 ARG A HB2 1 +ATOM 2894 H HB3 . ARG A 1 169 ? -8.723 17.717 -23.033 1.00 16.36 ? 159 ARG A HB3 1 +ATOM 2895 H HG2 . ARG A 1 169 ? -9.051 17.990 -20.766 1.00 16.18 ? 159 ARG A HG2 1 +ATOM 2896 H HG3 . ARG A 1 169 ? -10.611 18.201 -20.982 1.00 16.18 ? 159 ARG A HG3 1 +ATOM 2897 H HD2 . ARG A 1 169 ? -10.335 16.107 -20.142 1.00 19.06 ? 159 ARG A HD2 1 +ATOM 2898 H HD3 . ARG A 1 169 ? -10.734 15.928 -21.670 1.00 19.06 ? 159 ARG A HD3 1 +ATOM 2899 H HE . ARG A 1 169 ? -8.089 15.989 -21.408 1.00 17.56 ? 159 ARG A HE 1 +ATOM 2900 H HH11 . ARG A 1 169 ? -6.849 14.106 -21.861 1.00 20.02 ? 159 ARG A HH11 1 +ATOM 2901 H HH12 . ARG A 1 169 ? -7.488 12.768 -21.723 1.00 20.02 ? 159 ARG A HH12 1 +ATOM 2902 H HH21 . ARG A 1 169 ? -10.466 13.852 -20.896 1.00 19.80 ? 159 ARG A HH21 1 +ATOM 2903 H HH22 . ARG A 1 169 ? -9.670 12.617 -21.141 1.00 19.80 ? 159 ARG A HH22 1 +ATOM 2904 N N . HIS A 1 170 ? -7.824 20.536 -24.447 1.00 13.58 ? 160 HIS A N 1 +ATOM 2905 C CA . HIS A 1 170 ? -7.404 21.020 -25.761 1.00 13.51 ? 160 HIS A CA 1 +ATOM 2906 C C . HIS A 1 170 ? -7.076 19.920 -26.766 1.00 13.54 ? 160 HIS A C 1 +ATOM 2907 O O . HIS A 1 170 ? -6.960 20.206 -27.973 1.00 14.17 ? 160 HIS A O 1 +ATOM 2908 C CB . HIS A 1 170 ? -6.276 22.035 -25.631 1.00 14.22 ? 160 HIS A CB 1 +ATOM 2909 C CG . HIS A 1 170 ? -4.955 21.449 -25.304 1.00 14.53 ? 160 HIS A CG 1 +ATOM 2910 N ND1 . HIS A 1 170 ? -4.508 21.144 -24.016 1.00 15.20 ? 160 HIS A ND1 1 +ATOM 2911 C CD2 . HIS A 1 170 ? -3.946 21.094 -26.139 1.00 16.05 ? 160 HIS A CD2 1 +ATOM 2912 C CE1 . HIS A 1 170 ? -3.303 20.632 -24.114 1.00 14.74 ? 160 HIS A CE1 1 +ATOM 2913 N NE2 . HIS A 1 170 ? -2.927 20.613 -25.392 1.00 15.69 ? 160 HIS A NE2 1 +ATOM 2914 H H . HIS A 1 170 ? -7.244 20.594 -23.816 1.00 16.29 ? 160 HIS A H 1 +ATOM 2915 H HA . HIS A 1 170 ? -8.151 21.500 -26.153 1.00 16.22 ? 160 HIS A HA 1 +ATOM 2916 H HB2 . HIS A 1 170 ? -6.186 22.508 -26.473 1.00 17.07 ? 160 HIS A HB2 1 +ATOM 2917 H HB3 . HIS A 1 170 ? -6.502 22.659 -24.923 1.00 17.07 ? 160 HIS A HB3 1 +ATOM 2918 H HD2 . HIS A 1 170 ? -3.954 21.168 -27.066 1.00 19.26 ? 160 HIS A HD2 1 +ATOM 2919 H HE1 . HIS A 1 170 ? -2.790 20.328 -23.400 1.00 17.69 ? 160 HIS A HE1 1 +ATOM 2920 H HE2 . HIS A 1 170 ? -2.168 20.343 -25.690 1.00 18.83 ? 160 HIS A HE2 1 +ATOM 2921 N N . GLU A 1 171 ? -6.902 18.693 -26.301 1.00 13.91 ? 161 GLU A N 1 +ATOM 2922 C CA . GLU A 1 171 ? -6.730 17.463 -27.078 1.00 14.36 ? 161 GLU A CA 1 +ATOM 2923 C C . GLU A 1 171 ? -5.338 17.311 -27.657 1.00 13.81 ? 161 GLU A C 1 +ATOM 2924 O O . GLU A 1 171 ? -4.609 16.377 -27.360 1.00 14.04 ? 161 GLU A O 1 +ATOM 2925 C CB . GLU A 1 171 ? -7.824 17.327 -28.146 1.00 15.16 ? 161 GLU A CB 1 +ATOM 2926 C CG . GLU A 1 171 ? -9.246 17.641 -27.712 1.00 14.74 ? 161 GLU A CG 1 +ATOM 2927 C CD . GLU A 1 171 ? -9.766 16.888 -26.529 1.00 16.22 ? 161 GLU A CD 1 +ATOM 2928 O OE1 . GLU A 1 171 ? -9.065 16.106 -25.895 1.00 16.70 ? 161 GLU A OE1 1 +ATOM 2929 O OE2 . GLU A 1 171 ? -10.970 17.087 -26.274 1.00 16.96 ? 161 GLU A OE2 1 +ATOM 2930 H H . GLU A 1 171 ? -6.876 18.523 -25.459 1.00 16.69 ? 161 GLU A H 1 +ATOM 2931 H HA . GLU A 1 171 ? -6.832 16.715 -26.469 1.00 17.24 ? 161 GLU A HA 1 +ATOM 2932 H HB2 . GLU A 1 171 ? -7.610 17.932 -28.874 1.00 18.20 ? 161 GLU A HB2 1 +ATOM 2933 H HB3 . GLU A 1 171 ? -7.821 16.411 -28.464 1.00 18.20 ? 161 GLU A HB3 1 +ATOM 2934 H HG2 . GLU A 1 171 ? -9.292 18.584 -27.491 1.00 17.69 ? 161 GLU A HG2 1 +ATOM 2935 H HG3 . GLU A 1 171 ? -9.838 17.446 -28.456 1.00 17.69 ? 161 GLU A HG3 1 +ATOM 2936 N N . THR A 1 172 ? -4.974 18.248 -28.521 1.00 14.83 ? 162 THR A N 1 +ATOM 2937 C CA . THR A 1 172 ? -3.628 18.361 -29.103 1.00 15.52 ? 162 THR A CA 1 +ATOM 2938 C C . THR A 1 172 ? -3.390 19.817 -29.486 1.00 14.14 ? 162 THR A C 1 +ATOM 2939 O O . THR A 1 172 ? -4.259 20.443 -30.098 1.00 15.14 ? 162 THR A O 1 +ATOM 2940 C CB . THR A 1 172 ? -3.434 17.421 -30.309 1.00 15.04 ? 162 THR A CB 1 +ATOM 2941 O OG1 . THR A 1 172 ? -2.164 17.689 -30.907 1.00 16.04 ? 162 THR A OG1 1 +ATOM 2942 C CG2 . THR A 1 172 ? -4.484 17.581 -31.401 1.00 16.66 ? 162 THR A CG2 1 +ATOM 2943 H H . THR A 1 172 ? -5.506 18.862 -28.804 1.00 17.79 ? 162 THR A H 1 +ATOM 2944 H HA . THR A 1 172 ? -2.962 18.110 -28.445 1.00 18.63 ? 162 THR A HA 1 +ATOM 2945 H HB . THR A 1 172 ? -3.505 16.514 -29.971 1.00 18.05 ? 162 THR A HB 1 +ATOM 2946 H HG1 . THR A 1 172 ? -1.550 17.553 -30.351 1.00 19.25 ? 162 THR A HG1 1 +ATOM 2947 H HG21 . THR A 1 172 ? -4.308 16.961 -32.125 1.00 19.99 ? 162 THR A HG21 1 +ATOM 2948 H HG22 . THR A 1 172 ? -5.367 17.402 -31.040 1.00 19.99 ? 162 THR A HG22 1 +ATOM 2949 H HG23 . THR A 1 172 ? -4.465 18.486 -31.750 1.00 19.99 ? 162 THR A HG23 1 +ATOM 2950 N N . ALA A 1 173 ? -2.216 20.320 -29.160 1.00 14.73 ? 163 ALA A N 1 +ATOM 2951 C CA . ALA A 1 173 ? -1.826 21.656 -29.551 1.00 15.07 ? 163 ALA A CA 1 +ATOM 2952 C C . ALA A 1 173 ? -1.236 21.700 -30.946 1.00 18.64 ? 163 ALA A C 1 +ATOM 2953 O O . ALA A 1 173 ? -0.850 22.786 -31.406 1.00 20.15 ? 163 ALA A O 1 +ATOM 2954 C CB . ALA A 1 173 ? -0.843 22.211 -28.521 1.00 17.80 ? 163 ALA A CB 1 +ATOM 2955 H H . ALA A 1 173 ? -1.619 19.900 -28.705 1.00 17.67 ? 163 ALA A H 1 +ATOM 2956 H HA . ALA A 1 173 ? -2.601 22.240 -29.556 1.00 18.09 ? 163 ALA A HA 1 +ATOM 2957 H HB1 . ALA A 1 173 ? -0.574 23.104 -28.790 1.00 21.36 ? 163 ALA A HB1 1 +ATOM 2958 H HB2 . ALA A 1 173 ? -1.278 22.244 -27.654 1.00 21.36 ? 163 ALA A HB2 1 +ATOM 2959 H HB3 . ALA A 1 173 ? -0.067 21.630 -28.480 1.00 21.36 ? 163 ALA A HB3 1 +ATOM 2960 N N . ASN A 1 174 ? -1.115 20.596 -31.659 1.00 16.02 ? 164 ASN A N 1 +ATOM 2961 C CA . ASN A 1 174 ? -0.619 20.624 -33.039 1.00 15.99 ? 164 ASN A CA 1 +ATOM 2962 C C . ASN A 1 174 ? -1.806 20.975 -33.933 1.00 15.66 ? 164 ASN A C 1 +ATOM 2963 O O . ASN A 1 174 ? -2.766 20.205 -34.016 1.00 15.69 ? 164 ASN A O 1 +ATOM 2964 C CB . ASN A 1 174 ? -0.110 19.208 -33.355 1.00 16.61 ? 164 ASN A CB 1 +ATOM 2965 C CG . ASN A 1 174 ? 0.370 19.065 -34.777 1.00 16.91 ? 164 ASN A CG 1 +ATOM 2966 O OD1 . ASN A 1 174 ? -0.224 19.610 -35.727 1.00 17.50 ? 164 ASN A OD1 1 +ATOM 2967 N ND2 . ASN A 1 174 ? 1.457 18.382 -34.951 1.00 20.74 ? 164 ASN A ND2 1 +ATOM 2968 H H . ASN A 1 174 ? -1.313 19.810 -31.373 1.00 19.22 ? 164 ASN A H 1 +ATOM 2969 H HA . ASN A 1 174 ? 0.090 21.269 -33.185 1.00 19.18 ? 164 ASN A HA 1 +ATOM 2970 H HB2 . ASN A 1 174 ? 0.632 19.000 -32.766 1.00 19.93 ? 164 ASN A HB2 1 +ATOM 2971 H HB3 . ASN A 1 174 ? -0.831 18.574 -33.217 1.00 19.93 ? 164 ASN A HB3 1 +ATOM 2972 H HD21 . ASN A 1 174 ? 1.773 18.271 -35.742 1.00 24.89 ? 164 ASN A HD21 1 +ATOM 2973 H HD22 . ASN A 1 174 ? 1.862 18.040 -34.274 1.00 24.89 ? 164 ASN A HD22 1 +ATOM 2974 N N . PRO A 1 175 ? -1.822 22.150 -34.587 1.00 16.01 ? 165 PRO A N 1 +ATOM 2975 C CA . PRO A 1 175 ? -3.031 22.543 -35.294 1.00 16.67 ? 165 PRO A CA 1 +ATOM 2976 C C . PRO A 1 175 ? -3.313 21.701 -36.524 1.00 15.88 ? 165 PRO A C 1 +ATOM 2977 O O . PRO A 1 175 ? -4.493 21.571 -36.880 1.00 16.76 ? 165 PRO A O 1 +ATOM 2978 C CB . PRO A 1 175 ? -2.752 24.006 -35.680 1.00 18.89 ? 165 PRO A CB 1 +ATOM 2979 C CG . PRO A 1 175 ? -1.281 24.162 -35.632 1.00 25.21 ? 165 PRO A CG 1 +ATOM 2980 C CD . PRO A 1 175 ? -0.780 23.171 -34.612 1.00 17.94 ? 165 PRO A CD 1 +ATOM 2981 H HA . PRO A 1 175 ? -3.790 22.501 -34.693 1.00 20.01 ? 165 PRO A HA 1 +ATOM 2982 H HB2 . PRO A 1 175 ? -3.088 24.178 -36.574 1.00 22.66 ? 165 PRO A HB2 1 +ATOM 2983 H HB3 . PRO A 1 175 ? -3.182 24.599 -35.044 1.00 22.66 ? 165 PRO A HB3 1 +ATOM 2984 H HG2 . PRO A 1 175 ? -0.906 23.971 -36.506 1.00 30.25 ? 165 PRO A HG2 1 +ATOM 2985 H HG3 . PRO A 1 175 ? -1.059 25.068 -35.366 1.00 30.25 ? 165 PRO A HG3 1 +ATOM 2986 H HD2 . PRO A 1 175 ? 0.068 22.791 -34.889 1.00 21.52 ? 165 PRO A HD2 1 +ATOM 2987 H HD3 . PRO A 1 175 ? -0.687 23.590 -33.742 1.00 21.52 ? 165 PRO A HD3 1 +ATOM 2988 N N . VAL A 1 176 ? -2.284 21.131 -37.143 1.00 16.36 ? 166 VAL A N 1 +ATOM 2989 C CA . VAL A 1 176 ? -2.493 20.266 -38.290 1.00 16.56 ? 166 VAL A CA 1 +ATOM 2990 C C . VAL A 1 176 ? -3.184 18.988 -37.830 1.00 16.62 ? 166 VAL A C 1 +ATOM 2991 O O . VAL A 1 176 ? -4.201 18.562 -38.395 1.00 17.35 ? 166 VAL A O 1 +ATOM 2992 C CB . VAL A 1 176 ? -1.149 20.038 -39.011 1.00 17.30 ? 166 VAL A CB 1 +ATOM 2993 C CG1 . VAL A 1 176 ? -1.276 18.967 -40.080 1.00 18.43 ? 166 VAL A CG1 1 +ATOM 2994 C CG2 . VAL A 1 176 ? -0.650 21.321 -39.607 1.00 17.97 ? 166 VAL A CG2 1 +ATOM 2995 H H . VAL A 1 176 ? -1.460 21.230 -36.917 1.00 19.63 ? 166 VAL A H 1 +ATOM 2996 H HA . VAL A 1 176 ? -3.082 20.681 -38.940 1.00 19.87 ? 166 VAL A HA 1 +ATOM 2997 H HB . VAL A 1 176 ? -0.500 19.729 -38.359 1.00 20.76 ? 166 VAL A HB 1 +ATOM 2998 H HG11 . VAL A 1 176 ? -0.463 18.952 -40.610 1.00 22.12 ? 166 VAL A HG11 1 +ATOM 2999 H HG12 . VAL A 1 176 ? -1.408 18.107 -39.652 1.00 22.12 ? 166 VAL A HG12 1 +ATOM 3000 H HG13 . VAL A 1 176 ? -2.035 19.176 -40.647 1.00 22.12 ? 166 VAL A HG13 1 +ATOM 3001 H HG21 . VAL A 1 176 ? 0.198 21.155 -40.048 1.00 21.56 ? 166 VAL A HG21 1 +ATOM 3002 H HG22 . VAL A 1 176 ? -1.300 21.644 -40.250 1.00 21.56 ? 166 VAL A HG22 1 +ATOM 3003 H HG23 . VAL A 1 176 ? -0.532 21.973 -38.899 1.00 21.56 ? 166 VAL A HG23 1 +ATOM 3004 N N . LEU A 1 177 ? -2.618 18.331 -36.829 1.00 16.21 ? 167 LEU A N 1 +ATOM 3005 C CA . LEU A 1 177 ? -3.235 17.120 -36.291 1.00 16.88 ? 167 LEU A CA 1 +ATOM 3006 C C . LEU A 1 177 ? -4.613 17.423 -35.751 1.00 15.39 ? 167 LEU A C 1 +ATOM 3007 O O . LEU A 1 177 ? -5.534 16.586 -35.845 1.00 15.81 ? 167 LEU A O 1 +ATOM 3008 C CB . LEU A 1 177 ? -2.342 16.569 -35.202 1.00 18.25 ? 167 LEU A CB 1 +ATOM 3009 C CG . LEU A 1 177 ? -2.755 15.207 -34.720 1.00 19.18 ? 167 LEU A CG 1 +ATOM 3010 C CD1 . LEU A 1 177 ? -2.801 14.194 -35.769 1.00 22.07 ? 167 LEU A CD1 1 +ATOM 3011 C CD2 . LEU A 1 177 ? -1.824 14.793 -33.538 1.00 23.66 ? 167 LEU A CD2 1 +ATOM 3012 H H . LEU A 1 177 ? -1.884 18.559 -36.444 1.00 19.45 ? 167 LEU A H 1 +ATOM 3013 H HA . LEU A 1 177 ? -3.327 16.451 -36.987 1.00 20.25 ? 167 LEU A HA 1 +ATOM 3014 H HB2 . LEU A 1 177 ? -1.437 16.502 -35.544 1.00 21.89 ? 167 LEU A HB2 1 +ATOM 3015 H HB3 . LEU A 1 177 ? -2.366 17.173 -34.443 1.00 21.89 ? 167 LEU A HB3 1 +ATOM 3016 H HG . LEU A 1 177 ? -3.673 15.255 -34.410 1.00 23.02 ? 167 LEU A HG 1 +ATOM 3017 H HD11 . LEU A 1 177 ? -2.878 13.318 -35.359 1.00 26.49 ? 167 LEU A HD11 1 +ATOM 3018 H HD12 . LEU A 1 177 ? -3.569 14.362 -36.337 1.00 26.49 ? 167 LEU A HD12 1 +ATOM 3019 H HD13 . LEU A 1 177 ? -1.985 14.243 -36.291 1.00 26.49 ? 167 LEU A HD13 1 +ATOM 3020 H HD21 . LEU A 1 177 ? -2.090 13.917 -33.218 1.00 28.39 ? 167 LEU A HD21 1 +ATOM 3021 H HD22 . LEU A 1 177 ? -0.907 14.766 -33.852 1.00 28.39 ? 167 LEU A HD22 1 +ATOM 3022 H HD23 . LEU A 1 177 ? -1.911 15.445 -32.825 1.00 28.39 ? 167 LEU A HD23 1 +ATOM 3023 N N . HIS A 1 178 ? -4.773 18.551 -35.048 1.00 14.71 ? 168 HIS A N 1 +ATOM 3024 C CA . HIS A 1 178 ? -6.075 18.856 -34.433 1.00 14.19 ? 168 HIS A CA 1 +ATOM 3025 C C . HIS A 1 178 ? -7.177 18.816 -35.474 1.00 14.82 ? 168 HIS A C 1 +ATOM 3026 O O . HIS A 1 178 ? -8.227 18.225 -35.269 1.00 15.09 ? 168 HIS A O 1 +ATOM 3027 C CB . HIS A 1 178 ? -5.990 20.221 -33.726 1.00 14.57 ? 168 HIS A CB 1 +ATOM 3028 C CG . HIS A 1 178 ? -7.098 20.491 -32.764 1.00 13.59 ? 168 HIS A CG 1 +ATOM 3029 N ND1 . HIS A 1 178 ? -6.899 20.484 -31.401 1.00 14.19 ? 168 HIS A ND1 1 +ATOM 3030 C CD2 . HIS A 1 178 ? -8.412 20.734 -32.950 1.00 13.43 ? 168 HIS A CD2 1 +ATOM 3031 C CE1 . HIS A 1 178 ? -8.056 20.745 -30.806 1.00 14.89 ? 168 HIS A CE1 1 +ATOM 3032 N NE2 . HIS A 1 178 ? -9.001 20.890 -31.710 1.00 14.51 ? 168 HIS A NE2 1 +ATOM 3033 H H . HIS A 1 178 ? -4.163 19.141 -34.915 1.00 17.65 ? 168 HIS A H 1 +ATOM 3034 H HA . HIS A 1 178 ? -6.295 18.194 -33.760 1.00 17.03 ? 168 HIS A HA 1 +ATOM 3035 H HB2 . HIS A 1 178 ? -5.157 20.260 -33.231 1.00 17.48 ? 168 HIS A HB2 1 +ATOM 3036 H HB3 . HIS A 1 178 ? -6.009 20.919 -34.398 1.00 17.48 ? 168 HIS A HB3 1 +ATOM 3037 H HD1 . HIS A 1 178 ? -6.151 20.335 -31.003 1.00 17.02 ? 168 HIS A HD1 1 +ATOM 3038 H HD2 . HIS A 1 178 ? -8.846 20.788 -33.771 1.00 16.12 ? 168 HIS A HD2 1 +ATOM 3039 H HE1 . HIS A 1 178 ? -8.180 20.816 -29.887 1.00 17.86 ? 168 HIS A HE1 1 +ATOM 3040 N N . ARG A 1 179 ? -6.930 19.470 -36.637 1.00 14.75 ? 169 ARG A N 1 +ATOM 3041 C CA . ARG A 1 179 ? -7.937 19.523 -37.699 1.00 15.36 ? 169 ARG A CA 1 +ATOM 3042 C C . ARG A 1 179 ? -8.155 18.168 -38.322 1.00 16.14 ? 169 ARG A C 1 +ATOM 3043 O O . ARG A 1 179 ? -9.291 17.844 -38.662 1.00 17.41 ? 169 ARG A O 1 +ATOM 3044 C CB . ARG A 1 179 ? -7.515 20.546 -38.744 1.00 17.93 ? 169 ARG A CB 1 +ATOM 3045 C CG . ARG A 1 179 ? -8.440 20.653 -39.991 1.00 19.83 ? 169 ARG A CG 1 +ATOM 3046 C CD . ARG A 1 179 ? -9.819 21.096 -39.601 1.00 18.64 ? 169 ARG A CD 1 +ATOM 3047 N NE . ARG A 1 179 ? -10.652 21.177 -40.824 0.91 20.36 ? 169 ARG A NE 1 +ATOM 3048 C CZ . ARG A 1 179 ? -11.823 21.772 -40.869 0.70 16.70 ? 169 ARG A CZ 1 +ATOM 3049 N NH1 . ARG A 1 179 ? -12.340 22.354 -39.801 1.00 20.35 ? 169 ARG A NH1 1 +ATOM 3050 N NH2 . ARG A 1 179 ? -12.509 21.803 -42.008 0.79 20.76 ? 169 ARG A NH2 1 +ATOM 3051 H H . ARG A 1 179 ? -6.197 19.880 -36.823 1.00 17.70 ? 169 ARG A H 1 +ATOM 3052 H HA . ARG A 1 179 ? -8.785 19.805 -37.323 1.00 18.44 ? 169 ARG A HA 1 +ATOM 3053 H HB2 . ARG A 1 179 ? -7.495 21.420 -38.324 1.00 21.52 ? 169 ARG A HB2 1 +ATOM 3054 H HB3 . ARG A 1 179 ? -6.630 20.310 -39.062 1.00 21.52 ? 169 ARG A HB3 1 +ATOM 3055 H HG2 . ARG A 1 179 ? -8.074 21.302 -40.611 1.00 23.80 ? 169 ARG A HG2 1 +ATOM 3056 H HG3 . ARG A 1 179 ? -8.507 19.785 -40.420 1.00 23.80 ? 169 ARG A HG3 1 +ATOM 3057 H HD2 . ARG A 1 179 ? -10.214 20.454 -38.990 1.00 22.37 ? 169 ARG A HD2 1 +ATOM 3058 H HD3 . ARG A 1 179 ? -9.782 21.970 -39.183 1.00 22.37 ? 169 ARG A HD3 1 +ATOM 3059 H HE . ARG A 1 179 ? -10.352 20.815 -41.545 0.94 24.44 ? 169 ARG A HE 1 +ATOM 3060 H HH11 . ARG A 1 179 ? -11.909 22.349 -39.057 1.00 24.42 ? 169 ARG A HH11 1 +ATOM 3061 H HH12 . ARG A 1 179 ? -13.108 22.738 -39.850 1.00 24.42 ? 169 ARG A HH12 1 +ATOM 3062 H HH21 . ARG A 1 179 ? -12.186 21.435 -42.715 0.84 24.91 ? 169 ARG A HH21 1 +ATOM 3063 H HH22 . ARG A 1 179 ? -13.275 22.192 -42.038 0.84 24.91 ? 169 ARG A HH22 1 +ATOM 3064 N N . LYS A 1 180 ? -7.113 17.367 -38.478 1.00 15.50 ? 170 LYS A N 1 +ATOM 3065 C CA . LYS A 1 180 ? -7.266 16.027 -39.022 1.00 16.18 ? 170 LYS A CA 1 +ATOM 3066 C C . LYS A 1 180 ? -8.154 15.184 -38.112 1.00 16.83 ? 170 LYS A C 1 +ATOM 3067 O O . LYS A 1 180 ? -8.998 14.415 -38.576 1.00 18.26 ? 170 LYS A O 1 +ATOM 3068 C CB . LYS A 1 180 ? -5.931 15.360 -39.212 1.00 18.26 ? 170 LYS A CB 1 +ATOM 3069 C CG . LYS A 1 180 ? -5.102 15.969 -40.334 0.91 20.92 ? 170 LYS A CG 1 +ATOM 3070 C CD . LYS A 1 180 ? -3.747 15.312 -40.453 0.97 29.52 ? 170 LYS A CD 1 +ATOM 3071 C CE . LYS A 1 180 ? -2.912 15.822 -41.649 1.00 33.57 ? 170 LYS A CE 1 +ATOM 3072 N NZ . LYS A 1 180 ? -1.579 15.197 -41.500 0.56 29.19 ? 170 LYS A NZ 1 +ATOM 3073 H H . LYS A 1 180 ? -6.303 17.574 -38.277 1.00 18.60 ? 170 LYS A H 1 +ATOM 3074 H HA . LYS A 1 180 ? -7.678 16.094 -39.898 1.00 19.42 ? 170 LYS A HA 1 +ATOM 3075 H HB2 . LYS A 1 180 ? -5.423 15.440 -38.390 1.00 21.91 ? 170 LYS A HB2 1 +ATOM 3076 H HB3 . LYS A 1 180 ? -6.076 14.425 -39.423 1.00 21.91 ? 170 LYS A HB3 1 +ATOM 3077 H HG2 . LYS A 1 180 ? -5.569 15.853 -41.176 0.89 25.11 ? 170 LYS A HG2 1 +ATOM 3078 H HG3 . LYS A 1 180 ? -4.967 16.913 -40.156 0.88 25.11 ? 170 LYS A HG3 1 +ATOM 3079 H HD2 . LYS A 1 180 ? -3.242 15.488 -39.643 0.97 35.42 ? 170 LYS A HD2 1 +ATOM 3080 H HD3 . LYS A 1 180 ? -3.871 14.357 -40.565 0.98 35.42 ? 170 LYS A HD3 1 +ATOM 3081 H HE2 . LYS A 1 180 ? -3.312 15.548 -42.489 1.00 40.28 ? 170 LYS A HE2 1 +ATOM 3082 H HE3 . LYS A 1 180 ? -2.827 16.788 -41.621 1.00 40.28 ? 170 LYS A HE3 1 +ATOM 3083 H HZ1 . LYS A 1 180 ? -1.212 15.441 -40.726 0.52 35.02 ? 170 LYS A HZ1 1 +ATOM 3084 H HZ2 . LYS A 1 180 ? -1.655 14.310 -41.516 0.52 35.02 ? 170 LYS A HZ2 1 +ATOM 3085 H HZ3 . LYS A 1 180 ? -1.046 15.453 -42.165 0.52 35.02 ? 170 LYS A HZ3 1 +ATOM 3086 N N . LEU A 1 181 ? -7.993 15.308 -36.778 1.00 15.03 ? 171 LEU A N 1 +ATOM 3087 C CA . LEU A 1 181 ? -8.727 14.463 -35.836 1.00 15.13 ? 171 LEU A CA 1 +ATOM 3088 C C . LEU A 1 181 ? -10.085 15.032 -35.473 1.00 14.47 ? 171 LEU A C 1 +ATOM 3089 O O . LEU A 1 181 ? -10.953 14.286 -34.989 1.00 15.46 ? 171 LEU A O 1 +ATOM 3090 C CB . LEU A 1 181 ? -7.883 14.281 -34.580 1.00 15.33 ? 171 LEU A CB 1 +ATOM 3091 C CG . LEU A 1 181 ? -6.603 13.560 -34.792 1.00 17.80 ? 171 LEU A CG 1 +ATOM 3092 C CD1 . LEU A 1 181 ? -5.837 13.555 -33.437 1.00 21.67 ? 171 LEU A CD1 1 +ATOM 3093 C CD2 . LEU A 1 181 ? -6.786 12.175 -35.255 1.00 26.61 ? 171 LEU A CD2 1 +ATOM 3094 H H . LEU A 1 181 ? -7.465 15.874 -36.403 1.00 18.04 ? 171 LEU A H 1 +ATOM 3095 H HA . LEU A 1 181 ? -8.883 13.588 -36.225 1.00 18.16 ? 171 LEU A HA 1 +ATOM 3096 H HB2 . LEU A 1 181 ? -7.669 15.157 -34.223 1.00 18.40 ? 171 LEU A HB2 1 +ATOM 3097 H HB3 . LEU A 1 181 ? -8.399 13.776 -33.932 1.00 18.40 ? 171 LEU A HB3 1 +ATOM 3098 H HG . LEU A 1 181 ? -6.102 14.011 -35.490 1.00 21.36 ? 171 LEU A HG 1 +ATOM 3099 H HD11 . LEU A 1 181 ? -4.992 13.093 -33.553 1.00 26.00 ? 171 LEU A HD11 1 +ATOM 3100 H HD12 . LEU A 1 181 ? -5.677 14.471 -33.161 1.00 26.00 ? 171 LEU A HD12 1 +ATOM 3101 H HD13 . LEU A 1 181 ? -6.375 13.099 -32.771 1.00 26.00 ? 171 LEU A HD13 1 +ATOM 3102 H HD21 . LEU A 1 181 ? -5.935 11.712 -35.209 1.00 31.93 ? 171 LEU A HD21 1 +ATOM 3103 H HD22 . LEU A 1 181 ? -7.433 11.734 -34.683 1.00 31.93 ? 171 LEU A HD22 1 +ATOM 3104 H HD23 . LEU A 1 181 ? -7.107 12.187 -36.170 1.00 31.93 ? 171 LEU A HD23 1 +ATOM 3105 N N . ARG A 1 182 ? -10.309 16.324 -35.693 1.00 14.44 ? 172 ARG A N 1 +ATOM 3106 C CA . ARG A 1 182 ? -11.513 17.049 -35.271 1.00 15.36 ? 172 ARG A CA 1 +ATOM 3107 C C . ARG A 1 182 ? -11.984 17.856 -36.478 1.00 16.65 ? 172 ARG A C 1 +ATOM 3108 O O . ARG A 1 182 ? -11.844 19.077 -36.527 1.00 16.03 ? 172 ARG A O 1 +ATOM 3109 C CB . ARG A 1 182 ? -11.227 17.919 -34.047 1.00 14.93 ? 172 ARG A CB 1 +ATOM 3110 C CG . ARG A 1 182 ? -10.549 17.103 -32.930 1.00 14.04 ? 172 ARG A CG 1 +ATOM 3111 C CD . ARG A 1 182 ? -10.448 17.867 -31.618 1.00 15.15 ? 172 ARG A CD 1 +ATOM 3112 N NE . ARG A 1 182 ? -11.805 18.034 -31.068 1.00 15.22 ? 172 ARG A NE 1 +ATOM 3113 C CZ . ARG A 1 182 ? -12.451 19.183 -30.883 1.00 15.25 ? 172 ARG A CZ 1 +ATOM 3114 N NH1 . ARG A 1 182 ? -11.868 20.348 -31.065 1.00 14.87 ? 172 ARG A NH1 1 +ATOM 3115 N NH2 . ARG A 1 182 ? -13.757 19.121 -30.546 1.00 16.02 ? 172 ARG A NH2 1 +ATOM 3116 H H . ARG A 1 182 ? -9.751 16.832 -36.105 1.00 17.33 ? 172 ARG A H 1 +ATOM 3117 H HA . ARG A 1 182 ? -12.221 16.439 -35.012 1.00 18.43 ? 172 ARG A HA 1 +ATOM 3118 H HB2 . ARG A 1 182 ? -10.636 18.645 -34.299 1.00 17.92 ? 172 ARG A HB2 1 +ATOM 3119 H HB3 . ARG A 1 182 ? -12.062 18.274 -33.704 1.00 17.92 ? 172 ARG A HB3 1 +ATOM 3120 H HG2 . ARG A 1 182 ? -11.066 16.298 -32.768 1.00 16.85 ? 172 ARG A HG2 1 +ATOM 3121 H HG3 . ARG A 1 182 ? -9.650 16.869 -33.210 1.00 16.85 ? 172 ARG A HG3 1 +ATOM 3122 H HD2 . ARG A 1 182 ? -9.908 17.370 -30.984 1.00 18.19 ? 172 ARG A HD2 1 +ATOM 3123 H HD3 . ARG A 1 182 ? -10.058 18.742 -31.771 1.00 18.19 ? 172 ARG A HD3 1 +ATOM 3124 H HE . ARG A 1 182 ? -12.223 17.316 -30.845 1.00 18.26 ? 172 ARG A HE 1 +ATOM 3125 H HH11 . ARG A 1 182 ? -11.045 20.383 -31.311 1.00 17.85 ? 172 ARG A HH11 1 +ATOM 3126 H HH12 . ARG A 1 182 ? -12.310 21.074 -30.937 1.00 17.85 ? 172 ARG A HH12 1 +ATOM 3127 H HH21 . ARG A 1 182 ? -14.143 18.358 -30.458 1.00 19.22 ? 172 ARG A HH21 1 +ATOM 3128 H HH22 . ARG A 1 182 ? -14.203 19.845 -30.418 1.00 19.22 ? 172 ARG A HH22 1 +ATOM 3129 N N . PRO A 1 183 ? -12.560 17.179 -37.467 1.00 16.51 ? 173 PRO A N 1 +ATOM 3130 C CA . PRO A 1 183 ? -12.758 17.788 -38.794 1.00 15.91 ? 173 PRO A CA 1 +ATOM 3131 C C . PRO A 1 183 ? -13.825 18.842 -38.819 1.00 17.73 ? 173 PRO A C 1 +ATOM 3132 O O . PRO A 1 183 ? -13.948 19.528 -39.849 1.00 20.77 ? 173 PRO A O 1 +ATOM 3133 C CB . PRO A 1 183 ? -13.121 16.576 -39.667 1.00 18.74 ? 173 PRO A CB 1 +ATOM 3134 C CG . PRO A 1 183 ? -13.742 15.596 -38.693 1.00 20.41 ? 173 PRO A CG 1 +ATOM 3135 C CD . PRO A 1 183 ? -12.900 15.753 -37.440 1.00 18.35 ? 173 PRO A CD 1 +ATOM 3136 H HA . PRO A 1 183 ? -11.934 18.178 -39.123 1.00 19.10 ? 173 PRO A HA 1 +ATOM 3137 H HB2 . PRO A 1 183 ? -13.755 16.837 -40.354 1.00 22.49 ? 173 PRO A HB2 1 +ATOM 3138 H HB3 . PRO A 1 183 ? -12.322 16.207 -40.075 1.00 22.49 ? 173 PRO A HB3 1 +ATOM 3139 H HG2 . PRO A 1 183 ? -14.668 15.830 -38.525 1.00 24.49 ? 173 PRO A HG2 1 +ATOM 3140 H HG3 . PRO A 1 183 ? -13.686 14.693 -39.043 1.00 24.49 ? 173 PRO A HG3 1 +ATOM 3141 H HD2 . PRO A 1 183 ? -13.411 15.531 -36.646 1.00 22.02 ? 173 PRO A HD2 1 +ATOM 3142 H HD3 . PRO A 1 183 ? -12.102 15.203 -37.484 1.00 22.02 ? 173 PRO A HD3 1 +ATOM 3143 N N . ASP A 1 184 ? -14.589 19.016 -37.754 1.00 16.83 ? 174 ASP A N 1 +ATOM 3144 C CA . ASP A 1 184 ? -15.603 20.044 -37.645 1.00 17.62 ? 174 ASP A CA 1 +ATOM 3145 C C . ASP A 1 184 ? -15.039 21.372 -37.208 1.00 18.66 ? 174 ASP A C 1 +ATOM 3146 O O . ASP A 1 184 ? -15.772 22.365 -37.245 1.00 21.15 ? 174 ASP A O 1 +ATOM 3147 C CB . ASP A 1 184 ? -16.651 19.627 -36.580 1.00 17.72 ? 174 ASP A CB 1 +ATOM 3148 C CG . ASP A 1 184 ? -17.260 18.324 -36.912 1.00 17.86 ? 174 ASP A CG 1 +ATOM 3149 O OD1 . ASP A 1 184 ? -18.078 18.254 -37.850 1.00 21.80 ? 174 ASP A OD1 1 +ATOM 3150 O OD2 . ASP A 1 184 ? -16.927 17.331 -36.246 1.00 21.03 ? 174 ASP A OD2 1 +ATOM 3151 H H . ASP A 1 184 ? -14.537 18.527 -37.049 1.00 20.19 ? 174 ASP A H 1 +ATOM 3152 H HA . ASP A 1 184 ? -16.031 20.142 -38.511 1.00 21.14 ? 174 ASP A HA 1 +ATOM 3153 H HB2 . ASP A 1 184 ? -16.219 19.551 -35.715 1.00 21.26 ? 174 ASP A HB2 1 +ATOM 3154 H HB3 . ASP A 1 184 ? -17.355 20.293 -36.543 1.00 21.26 ? 174 ASP A HB3 1 +ATOM 3155 N N . THR A 1 185 ? -13.802 21.415 -36.728 1.00 15.82 ? 175 THR A N 1 +ATOM 3156 C CA . THR A 1 185 ? -13.351 22.579 -35.989 1.00 15.75 ? 175 THR A CA 1 +ATOM 3157 C C . THR A 1 185 ? -11.857 22.743 -36.130 1.00 16.00 ? 175 THR A C 1 +ATOM 3158 O O . THR A 1 185 ? -11.293 22.313 -37.139 1.00 16.61 ? 175 THR A O 1 +ATOM 3159 C CB . THR A 1 185 ? -13.907 22.485 -34.557 1.00 15.43 ? 175 THR A CB 1 +ATOM 3160 O OG1 . THR A 1 185 ? -13.567 23.704 -33.872 1.00 16.44 ? 175 THR A OG1 1 +ATOM 3161 C CG2 . THR A 1 185 ? -13.387 21.280 -33.783 1.00 15.42 ? 175 THR A CG2 1 +ATOM 3162 H H . THR A 1 185 ? -13.216 20.791 -36.817 1.00 18.99 ? 175 THR A H 1 +ATOM 3163 H HA . THR A 1 185 ? -13.697 23.416 -36.337 1.00 18.91 ? 175 THR A HA 1 +ATOM 3164 H HB . THR A 1 185 ? -14.868 22.363 -34.596 1.00 18.52 ? 175 THR A HB 1 +ATOM 3165 H HG1 . THR A 1 185 ? -13.831 23.669 -33.075 1.00 19.73 ? 175 THR A HG1 1 +ATOM 3166 H HG21 . THR A 1 185 ? -13.760 21.275 -32.887 1.00 18.50 ? 175 THR A HG21 1 +ATOM 3167 H HG22 . THR A 1 185 ? -13.642 20.461 -34.235 1.00 18.50 ? 175 THR A HG22 1 +ATOM 3168 H HG23 . THR A 1 185 ? -12.420 21.318 -33.721 1.00 18.50 ? 175 THR A HG23 1 +ATOM 3169 N N . SER A 1 186 ? -11.191 23.381 -35.167 1.00 16.36 ? 176 SER A N 1 +ATOM 3170 C CA . SER A 1 186 ? -9.781 23.702 -35.312 1.00 16.12 ? 176 SER A CA 1 +ATOM 3171 C C . SER A 1 186 ? -9.211 24.004 -33.955 1.00 15.75 ? 176 SER A C 1 +ATOM 3172 O O . SER A 1 186 ? -9.952 24.336 -33.002 1.00 15.60 ? 176 SER A O 1 +ATOM 3173 C CB . SER A 1 186 ? -9.587 24.908 -36.210 1.00 16.76 ? 176 SER A CB 1 +ATOM 3174 O OG . SER A 1 186 ? -10.182 26.057 -35.620 1.00 18.40 ? 176 SER A OG 1 +ATOM 3175 H H . SER A 1 186 ? -11.538 23.637 -34.422 1.00 19.63 ? 176 SER A H 1 +ATOM 3176 H HA . SER A 1 186 ? -9.320 22.936 -35.690 1.00 19.35 ? 176 SER A HA 1 +ATOM 3177 H HB2 . SER A 1 186 ? -8.637 25.067 -36.329 1.00 20.12 ? 176 SER A HB2 1 +ATOM 3178 H HB3 . SER A 1 186 ? -10.005 24.737 -37.068 1.00 20.12 ? 176 SER A HB3 1 +ATOM 3179 H HG . SER A 1 186 ? -10.083 26.722 -36.123 1.00 22.08 ? 176 SER A HG 1 +ATOM 3180 N N . PHE A 1 187 ? -7.891 23.931 -33.861 1.00 15.84 ? 177 PHE A N 1 +ATOM 3181 C CA . PHE A 1 187 ? -7.234 24.321 -32.620 1.00 16.52 ? 177 PHE A CA 1 +ATOM 3182 C C . PHE A 1 187 ? -7.499 25.792 -32.329 1.00 17.10 ? 177 PHE A C 1 +ATOM 3183 O O . PHE A 1 187 ? -7.735 26.168 -31.186 1.00 17.16 ? 177 PHE A O 1 +ATOM 3184 C CB . PHE A 1 187 ? -5.734 24.055 -32.702 1.00 16.95 ? 177 PHE A CB 1 +ATOM 3185 C CG . PHE A 1 187 ? -5.017 24.520 -31.466 1.00 18.37 ? 177 PHE A CG 1 +ATOM 3186 C CD1 . PHE A 1 187 ? -5.061 23.830 -30.321 1.00 20.83 ? 177 PHE A CD1 1 +ATOM 3187 C CD2 . PHE A 1 187 ? -4.358 25.718 -31.523 1.00 23.95 ? 177 PHE A CD2 1 +ATOM 3188 C CE1 . PHE A 1 187 ? -4.428 24.321 -29.153 1.00 21.32 ? 177 PHE A CE1 1 +ATOM 3189 C CE2 . PHE A 1 187 ? -3.707 26.205 -30.371 1.00 28.46 ? 177 PHE A CE2 1 +ATOM 3190 C CZ . PHE A 1 187 ? -3.740 25.480 -29.238 1.00 23.62 ? 177 PHE A CZ 1 +ATOM 3191 H H . PHE A 1 187 ? -7.363 23.665 -34.485 1.00 19.00 ? 177 PHE A H 1 +ATOM 3192 H HA . PHE A 1 187 ? -7.585 23.786 -31.892 1.00 19.83 ? 177 PHE A HA 1 +ATOM 3193 H HB2 . PHE A 1 187 ? -5.584 23.102 -32.800 1.00 20.35 ? 177 PHE A HB2 1 +ATOM 3194 H HB3 . PHE A 1 187 ? -5.366 24.529 -33.464 1.00 20.35 ? 177 PHE A HB3 1 +ATOM 3195 H HD1 . PHE A 1 187 ? -5.514 23.018 -30.291 1.00 25.00 ? 177 PHE A HD1 1 +ATOM 3196 H HD2 . PHE A 1 187 ? -4.340 26.206 -32.315 1.00 28.73 ? 177 PHE A HD2 1 +ATOM 3197 H HE1 . PHE A 1 187 ? -4.485 23.857 -28.349 1.00 25.59 ? 177 PHE A HE1 1 +ATOM 3198 H HE2 . PHE A 1 187 ? -3.259 27.019 -30.394 1.00 34.16 ? 177 PHE A HE2 1 +ATOM 3199 H HZ . PHE A 1 187 ? -3.275 25.786 -28.492 1.00 28.34 ? 177 PHE A HZ 1 +ATOM 3200 N N . GLU A 1 188 ? -7.492 26.647 -33.362 1.00 17.04 ? 178 GLU A N 1 +ATOM 3201 C CA . GLU A 1 188 ? -7.808 28.060 -33.145 1.00 18.15 ? 178 GLU A CA 1 +ATOM 3202 C C . GLU A 1 188 ? -9.160 28.228 -32.487 1.00 17.91 ? 178 GLU A C 1 +ATOM 3203 O O . GLU A 1 188 ? -9.293 29.028 -31.561 1.00 17.80 ? 178 GLU A O 1 +ATOM 3204 C CB . GLU A 1 188 ? -7.761 28.770 -34.496 1.00 20.38 ? 178 GLU A CB 1 +ATOM 3205 C CG . GLU A 1 188 ? -8.205 30.247 -34.468 1.00 27.30 ? 178 GLU A CG 1 +ATOM 3206 C CD . GLU A 1 188 ? -8.187 30.909 -35.877 0.76 32.55 ? 178 GLU A CD 1 +ATOM 3207 O OE1 . GLU A 1 188 ? -7.788 30.254 -36.853 0.63 34.22 ? 178 GLU A OE1 1 +ATOM 3208 O OE2 . GLU A 1 188 ? -8.583 32.087 -35.985 0.72 32.33 ? 178 GLU A OE2 1 +ATOM 3209 H H . GLU A 1 188 ? -7.312 26.437 -34.176 1.00 20.45 ? 178 GLU A H 1 +ATOM 3210 H HA . GLU A 1 188 ? -7.154 28.463 -32.553 1.00 21.78 ? 178 GLU A HA 1 +ATOM 3211 H HB2 . GLU A 1 188 ? -6.849 28.746 -34.825 1.00 24.46 ? 178 GLU A HB2 1 +ATOM 3212 H HB3 . GLU A 1 188 ? -8.347 28.301 -35.111 1.00 24.46 ? 178 GLU A HB3 1 +ATOM 3213 H HG2 . GLU A 1 188 ? -9.111 30.297 -34.125 1.00 32.76 ? 178 GLU A HG2 1 +ATOM 3214 H HG3 . GLU A 1 188 ? -7.604 30.746 -33.894 1.00 32.76 ? 178 GLU A HG3 1 +ATOM 3215 N N . ASN A 1 189 ? -10.178 27.491 -32.924 1.00 16.85 ? 179 ASN A N 1 +ATOM 3216 C CA A ASN A 1 189 ? -11.495 27.583 -32.287 0.58 19.45 ? 179 ASN A CA 1 +ATOM 3217 C CA B ASN A 1 189 ? -11.463 27.666 -32.264 0.42 14.99 ? 179 ASN A CA 1 +ATOM 3218 C C . ASN A 1 189 ? -11.410 27.162 -30.838 1.00 18.07 ? 179 ASN A C 1 +ATOM 3219 O O . ASN A 1 189 ? -11.966 27.817 -29.948 1.00 18.18 ? 179 ASN A O 1 +ATOM 3220 C CB A ASN A 1 189 ? -12.513 26.664 -32.991 0.58 19.73 ? 179 ASN A CB 1 +ATOM 3221 C CB B ASN A 1 189 ? -12.631 27.048 -33.042 0.42 15.31 ? 179 ASN A CB 1 +ATOM 3222 C CG A ASN A 1 189 ? -13.050 27.237 -34.274 0.58 20.73 ? 179 ASN A CG 1 +ATOM 3223 C CG B ASN A 1 189 ? -13.968 27.593 -32.564 0.42 18.49 ? 179 ASN A CG 1 +ATOM 3224 O OD1 A ASN A 1 189 ? -12.799 28.391 -34.620 0.58 24.47 ? 179 ASN A OD1 1 +ATOM 3225 O OD1 B ASN A 1 189 ? -14.249 28.795 -32.716 0.42 26.37 ? 179 ASN A OD1 1 +ATOM 3226 N ND2 A ASN A 1 189 ? -13.811 26.408 -35.010 0.58 21.55 ? 179 ASN A ND2 1 +ATOM 3227 N ND2 B ASN A 1 189 ? -14.796 26.735 -31.969 0.42 16.91 ? 179 ASN A ND2 1 +ATOM 3228 H H A ASN A 1 189 ? -10.137 26.936 -33.580 0.58 20.22 ? 179 ASN A H 1 +ATOM 3229 H H B ASN A 1 189 ? -10.151 26.917 -33.564 0.42 20.22 ? 179 ASN A H 1 +ATOM 3230 H HA A ASN A 1 189 ? -11.794 28.503 -32.359 0.58 23.34 ? 179 ASN A HA 1 +ATOM 3231 H HA B ASN A 1 189 ? -11.653 28.618 -32.250 0.42 17.98 ? 179 ASN A HA 1 +ATOM 3232 H HB2 A ASN A 1 189 ? -12.082 25.821 -33.199 0.58 23.68 ? 179 ASN A HB2 1 +ATOM 3233 H HB2 B ASN A 1 189 ? -12.536 27.256 -33.984 0.42 18.38 ? 179 ASN A HB2 1 +ATOM 3234 H HB3 A ASN A 1 189 ? -13.264 26.515 -32.395 0.58 23.68 ? 179 ASN A HB3 1 +ATOM 3235 H HB3 B ASN A 1 189 ? -12.630 26.086 -32.913 0.42 18.38 ? 179 ASN A HB3 1 +ATOM 3236 H HD21 A ASN A 1 189 ? -14.146 26.679 -35.754 0.58 25.86 ? 179 ASN A HD21 1 +ATOM 3237 H HD21 B ASN A 1 189 ? -15.562 27.004 -31.684 0.42 20.30 ? 179 ASN A HD21 1 +ATOM 3238 H HD22 A ASN A 1 189 ? -13.963 25.607 -34.737 0.58 25.86 ? 179 ASN A HD22 1 +ATOM 3239 H HD22 B ASN A 1 189 ? -14.565 25.912 -31.870 0.42 20.30 ? 179 ASN A HD22 1 +ATOM 3240 N N . ARG A 1 190 ? -10.770 26.025 -30.606 1.00 16.49 ? 180 ARG A N 1 +ATOM 3241 C CA . ARG A 1 190 ? -10.691 25.475 -29.262 1.00 15.82 ? 180 ARG A CA 1 +ATOM 3242 C C . ARG A 1 190 ? -10.000 26.475 -28.332 1.00 15.08 ? 180 ARG A C 1 +ATOM 3243 O O . ARG A 1 190 ? -10.439 26.727 -27.188 1.00 15.55 ? 180 ARG A O 1 +ATOM 3244 C CB . ARG A 1 190 ? -9.909 24.154 -29.315 1.00 17.32 ? 180 ARG A CB 1 +ATOM 3245 C CG . ARG A 1 190 ? -10.059 23.255 -28.067 1.00 20.29 ? 180 ARG A CG 1 +ATOM 3246 C CD . ARG A 1 190 ? -11.112 22.356 -28.231 1.00 17.85 ? 180 ARG A CD 1 +ATOM 3247 N NE . ARG A 1 190 ? -11.308 21.313 -27.191 1.00 14.56 ? 180 ARG A NE 1 +ATOM 3248 C CZ . ARG A 1 190 ? -12.457 20.689 -27.056 1.00 13.40 ? 180 ARG A CZ 1 +ATOM 3249 N NH1 . ARG A 1 190 ? -13.505 20.969 -27.827 1.00 14.54 ? 180 ARG A NH1 1 +ATOM 3250 N NH2 . ARG A 1 190 ? -12.590 19.783 -26.098 1.00 14.10 ? 180 ARG A NH2 1 +ATOM 3251 H H . ARG A 1 190 ? -10.374 25.554 -31.207 1.00 19.78 ? 180 ARG A H 1 +ATOM 3252 H HA . ARG A 1 190 ? -11.579 25.295 -28.917 1.00 18.98 ? 180 ARG A HA 1 +ATOM 3253 H HB2 . ARG A 1 190 ? -10.219 23.645 -30.080 1.00 20.79 ? 180 ARG A HB2 1 +ATOM 3254 H HB3 . ARG A 1 190 ? -8.966 24.360 -29.413 1.00 20.79 ? 180 ARG A HB3 1 +ATOM 3255 H HG2 . ARG A 1 190 ? -9.241 22.750 -27.931 1.00 24.35 ? 180 ARG A HG2 1 +ATOM 3256 H HG3 . ARG A 1 190 ? -10.242 23.806 -27.290 1.00 24.35 ? 180 ARG A HG3 1 +ATOM 3257 H HD2 . ARG A 1 190 ? -11.935 22.868 -28.268 1.00 21.42 ? 180 ARG A HD2 1 +ATOM 3258 H HD3 . ARG A 1 190 ? -10.974 21.888 -29.069 1.00 21.42 ? 180 ARG A HD3 1 +ATOM 3259 H HE . ARG A 1 190 ? -10.656 21.113 -26.666 1.00 17.47 ? 180 ARG A HE 1 +ATOM 3260 H HH11 . ARG A 1 190 ? -13.442 21.573 -28.435 1.00 17.45 ? 180 ARG A HH11 1 +ATOM 3261 H HH12 . ARG A 1 190 ? -14.245 20.545 -27.717 1.00 17.45 ? 180 ARG A HH12 1 +ATOM 3262 H HH21 . ARG A 1 190 ? -11.930 19.610 -25.575 1.00 16.91 ? 180 ARG A HH21 1 +ATOM 3263 H HH22 . ARG A 1 190 ? -13.337 19.368 -26.000 1.00 16.91 ? 180 ARG A HH22 1 +ATOM 3264 N N . LEU A 1 191 ? -8.880 27.026 -28.769 1.00 15.44 ? 181 LEU A N 1 +ATOM 3265 C CA . LEU A 1 191 ? -8.187 28.027 -27.984 1.00 16.84 ? 181 LEU A CA 1 +ATOM 3266 C C . LEU A 1 191 ? -9.027 29.287 -27.765 1.00 16.31 ? 181 LEU A C 1 +ATOM 3267 O O . LEU A 1 191 ? -9.084 29.814 -26.645 1.00 16.84 ? 181 LEU A O 1 +ATOM 3268 C CB . LEU A 1 191 ? -6.867 28.371 -28.656 1.00 18.34 ? 181 LEU A CB 1 +ATOM 3269 C CG . LEU A 1 191 ? -6.082 29.534 -28.038 1.00 19.33 ? 181 LEU A CG 1 +ATOM 3270 C CD1 . LEU A 1 191 ? -5.744 29.236 -26.615 1.00 23.20 ? 181 LEU A CD1 1 +ATOM 3271 C CD2 . LEU A 1 191 ? -4.829 29.752 -28.848 1.00 26.11 ? 181 LEU A CD2 1 +ATOM 3272 H H . LEU A 1 191 ? -8.500 26.837 -29.517 1.00 18.53 ? 181 LEU A H 1 +ATOM 3273 H HA . LEU A 1 191 ? -8.005 27.656 -27.106 1.00 20.21 ? 181 LEU A HA 1 +ATOM 3274 H HB2 . LEU A 1 191 ? -6.296 27.587 -28.620 1.00 22.00 ? 181 LEU A HB2 1 +ATOM 3275 H HB3 . LEU A 1 191 ? -7.050 28.605 -29.579 1.00 22.00 ? 181 LEU A HB3 1 +ATOM 3276 H HG . LEU A 1 191 ? -6.615 30.345 -28.047 1.00 23.19 ? 181 LEU A HG 1 +ATOM 3277 H HD11 . LEU A 1 191 ? -5.153 29.927 -26.279 1.00 27.84 ? 181 LEU A HD11 1 +ATOM 3278 H HD12 . LEU A 1 191 ? -6.562 29.218 -26.094 1.00 27.84 ? 181 LEU A HD12 1 +ATOM 3279 H HD13 . LEU A 1 191 ? -5.304 28.373 -26.570 1.00 27.84 ? 181 LEU A HD13 1 +ATOM 3280 H HD21 . LEU A 1 191 ? -4.321 30.478 -28.454 1.00 31.33 ? 181 LEU A HD21 1 +ATOM 3281 H HD22 . LEU A 1 191 ? -4.302 28.938 -28.840 1.00 31.33 ? 181 LEU A HD22 1 +ATOM 3282 H HD23 . LEU A 1 191 ? -5.077 29.977 -29.759 1.00 31.33 ? 181 LEU A HD23 1 +ATOM 3283 N N . ASN A 1 192 ? -9.741 29.757 -28.783 1.00 16.83 ? 182 ASN A N 1 +ATOM 3284 C CA . ASN A 1 192 ? -10.603 30.907 -28.590 1.00 18.04 ? 182 ASN A CA 1 +ATOM 3285 C C . ASN A 1 192 ? -11.645 30.640 -27.526 1.00 17.20 ? 182 ASN A C 1 +ATOM 3286 O O . ASN A 1 192 ? -11.946 31.521 -26.717 1.00 17.18 ? 182 ASN A O 1 +ATOM 3287 C CB . ASN A 1 192 ? -11.251 31.290 -29.907 1.00 18.85 ? 182 ASN A CB 1 +ATOM 3288 C CG . ASN A 1 192 ? -10.290 32.007 -30.795 1.00 26.15 ? 182 ASN A CG 1 +ATOM 3289 O OD1 . ASN A 1 192 ? -9.310 32.613 -30.307 1.00 28.13 ? 182 ASN A OD1 1 +ATOM 3290 N ND2 . ASN A 1 192 ? -10.561 31.998 -32.092 1.00 30.94 ? 182 ASN A ND2 1 +ATOM 3291 H H . ASN A 1 192 ? -9.742 29.432 -29.579 1.00 20.19 ? 182 ASN A H 1 +ATOM 3292 H HA . ASN A 1 192 ? -10.068 31.659 -28.292 1.00 21.65 ? 182 ASN A HA 1 +ATOM 3293 H HB2 . ASN A 1 192 ? -11.550 30.488 -30.363 1.00 22.62 ? 182 ASN A HB2 1 +ATOM 3294 H HB3 . ASN A 1 192 ? -12.006 31.875 -29.736 1.00 22.62 ? 182 ASN A HB3 1 +ATOM 3295 H HD21 . ASN A 1 192 ? -10.036 32.398 -32.644 1.00 37.13 ? 182 ASN A HD21 1 +ATOM 3296 H HD22 . ASN A 1 192 ? -11.261 31.592 -32.383 1.00 37.13 ? 182 ASN A HD22 1 +ATOM 3297 N N . CYS A 1 193 ? -12.214 29.442 -27.499 1.00 15.78 ? 183 CYS A N 1 +ATOM 3298 C CA . CYS A 1 193 ? -13.152 29.079 -26.433 1.00 15.60 ? 183 CYS A CA 1 +ATOM 3299 C C . CYS A 1 193 ? -12.469 29.127 -25.071 1.00 15.96 ? 183 CYS A C 1 +ATOM 3300 O O . CYS A 1 193 ? -13.009 29.728 -24.135 1.00 16.27 ? 183 CYS A O 1 +ATOM 3301 C CB . CYS A 1 193 ? -13.726 27.684 -26.684 1.00 14.69 ? 183 CYS A CB 1 +ATOM 3302 S SG . CYS A 1 193 ? -14.872 27.560 -28.068 1.00 17.55 ? 183 CYS A SG 1 +ATOM 3303 H H . CYS A 1 193 ? -12.079 28.822 -28.080 1.00 18.93 ? 183 CYS A H 1 +ATOM 3304 H HA . CYS A 1 193 ? -13.884 29.715 -26.437 1.00 18.72 ? 183 CYS A HA 1 +ATOM 3305 H HB2 . CYS A 1 193 ? -12.990 27.077 -26.862 1.00 17.63 ? 183 CYS A HB2 1 +ATOM 3306 H HB3 . CYS A 1 193 ? -14.203 27.402 -25.887 1.00 17.63 ? 183 CYS A HB3 1 +ATOM 3307 H HG . CYS A 1 193 ? -14.310 27.900 -29.073 1.00 21.06 ? 183 CYS A HG 1 +ATOM 3308 N N . LEU A 1 194 ? -11.285 28.527 -24.955 1.00 14.25 ? 184 LEU A N 1 +ATOM 3309 C CA . LEU A 1 194 ? -10.549 28.566 -23.674 1.00 15.10 ? 184 LEU A CA 1 +ATOM 3310 C C . LEU A 1 194 ? -10.252 29.990 -23.251 1.00 15.98 ? 184 LEU A C 1 +ATOM 3311 O O . LEU A 1 194 ? -10.411 30.328 -22.046 1.00 16.97 ? 184 LEU A O 1 +ATOM 3312 C CB . LEU A 1 194 ? -9.233 27.794 -23.822 1.00 16.12 ? 184 LEU A CB 1 +ATOM 3313 C CG . LEU A 1 194 ? -9.404 26.256 -23.814 1.00 14.93 ? 184 LEU A CG 1 +ATOM 3314 C CD1 . LEU A 1 194 ? -8.178 25.552 -24.271 1.00 17.83 ? 184 LEU A CD1 1 +ATOM 3315 C CD2 . LEU A 1 194 ? -9.756 25.751 -22.425 1.00 16.59 ? 184 LEU A CD2 1 +ATOM 3316 H H . LEU A 1 194 ? -10.886 28.097 -25.585 1.00 17.10 ? 184 LEU A H 1 +ATOM 3317 H HA . LEU A 1 194 ? -11.094 28.149 -22.988 1.00 18.12 ? 184 LEU A HA 1 +ATOM 3318 H HB2 . LEU A 1 194 ? -8.820 28.042 -24.664 1.00 19.34 ? 184 LEU A HB2 1 +ATOM 3319 H HB3 . LEU A 1 194 ? -8.650 28.030 -23.084 1.00 19.34 ? 184 LEU A HB3 1 +ATOM 3320 H HG . LEU A 1 194 ? -10.126 26.054 -24.431 1.00 17.92 ? 184 LEU A HG 1 +ATOM 3321 H HD11 . LEU A 1 194 ? -8.350 24.597 -24.287 1.00 21.39 ? 184 LEU A HD11 1 +ATOM 3322 H HD12 . LEU A 1 194 ? -7.949 25.862 -25.161 1.00 21.39 ? 184 LEU A HD12 1 +ATOM 3323 H HD13 . LEU A 1 194 ? -7.455 25.747 -23.655 1.00 21.39 ? 184 LEU A HD13 1 +ATOM 3324 H HD21 . LEU A 1 194 ? -9.774 24.781 -22.436 1.00 19.91 ? 184 LEU A HD21 1 +ATOM 3325 H HD22 . LEU A 1 194 ? -9.086 26.062 -21.796 1.00 19.91 ? 184 LEU A HD22 1 +ATOM 3326 H HD23 . LEU A 1 194 ? -10.629 26.094 -22.175 1.00 19.91 ? 184 LEU A HD23 1 +ATOM 3327 N N . LEU A 1 195 ? -9.840 30.876 -24.177 1.00 16.21 ? 185 LEU A N 1 +ATOM 3328 C CA . LEU A 1 195 ? -9.575 32.266 -23.819 1.00 17.67 ? 185 LEU A CA 1 +ATOM 3329 C C . LEU A 1 195 ? -10.834 32.978 -23.382 1.00 18.33 ? 185 LEU A C 1 +ATOM 3330 O O . LEU A 1 195 ? -10.782 33.801 -22.449 1.00 18.65 ? 185 LEU A O 1 +ATOM 3331 C CB . LEU A 1 195 ? -8.911 33.013 -24.978 1.00 21.23 ? 185 LEU A CB 1 +ATOM 3332 C CG . LEU A 1 195 ? -7.530 32.472 -25.350 1.00 21.47 ? 185 LEU A CG 1 +ATOM 3333 C CD1 . LEU A 1 195 ? -7.058 33.138 -26.642 1.00 24.07 ? 185 LEU A CD1 1 +ATOM 3334 C CD2 . LEU A 1 195 ? -6.558 32.694 -24.217 1.00 28.07 ? 185 LEU A CD2 1 +ATOM 3335 H H . LEU A 1 195 ? -9.711 30.693 -25.008 1.00 19.45 ? 185 LEU A H 1 +ATOM 3336 H HA . LEU A 1 195 ? -8.953 32.269 -23.074 1.00 21.21 ? 185 LEU A HA 1 +ATOM 3337 H HB2 . LEU A 1 195 ? -9.479 32.940 -25.761 1.00 25.47 ? 185 LEU A HB2 1 +ATOM 3338 H HB3 . LEU A 1 195 ? -8.808 33.945 -24.730 1.00 25.47 ? 185 LEU A HB3 1 +ATOM 3339 H HG . LEU A 1 195 ? -7.572 31.515 -25.503 1.00 25.76 ? 185 LEU A HG 1 +ATOM 3340 H HD11 . LEU A 1 195 ? -6.173 32.807 -26.863 1.00 28.88 ? 185 LEU A HD11 1 +ATOM 3341 H HD12 . LEU A 1 195 ? -7.679 32.921 -27.355 1.00 28.88 ? 185 LEU A HD12 1 +ATOM 3342 H HD13 . LEU A 1 195 ? -7.028 34.098 -26.510 1.00 28.88 ? 185 LEU A HD13 1 +ATOM 3343 H HD21 . LEU A 1 195 ? -5.658 32.516 -24.534 1.00 33.68 ? 185 LEU A HD21 1 +ATOM 3344 H HD22 . LEU A 1 195 ? -6.627 33.613 -23.916 1.00 33.68 ? 185 LEU A HD22 1 +ATOM 3345 H HD23 . LEU A 1 195 ? -6.777 32.090 -23.490 1.00 33.68 ? 185 LEU A HD23 1 +ATOM 3346 N N . THR A 1 196 ? -11.962 32.699 -24.044 1.00 17.38 ? 186 THR A N 1 +ATOM 3347 C CA . THR A 1 196 ? -13.225 33.334 -23.674 1.00 19.54 ? 186 THR A CA 1 +ATOM 3348 C C . THR A 1 196 ? -13.618 32.869 -22.282 1.00 18.14 ? 186 THR A C 1 +ATOM 3349 O O . THR A 1 196 ? -14.003 33.680 -21.427 1.00 19.74 ? 186 THR A O 1 +ATOM 3350 C CB . THR A 1 196 ? -14.281 32.969 -24.704 1.00 19.47 ? 186 THR A CB 1 +ATOM 3351 O OG1 . THR A 1 196 ? -13.924 33.542 -25.966 1.00 22.21 ? 186 THR A OG1 1 +ATOM 3352 C CG2 . THR A 1 196 ? -15.639 33.499 -24.352 1.00 22.86 ? 186 THR A CG2 1 +ATOM 3353 H H . THR A 1 196 ? -12.020 32.152 -24.705 1.00 20.86 ? 186 THR A H 1 +ATOM 3354 H HA . THR A 1 196 ? -13.146 34.301 -23.667 1.00 23.45 ? 186 THR A HA 1 +ATOM 3355 H HB . THR A 1 196 ? -14.330 32.001 -24.744 1.00 23.36 ? 186 THR A HB 1 +ATOM 3356 H HG1 . THR A 1 196 ? -13.180 33.242 -26.217 1.00 26.65 ? 186 THR A HG1 1 +ATOM 3357 H HG21 . THR A 1 196 ? -16.244 33.386 -25.101 1.00 27.43 ? 186 THR A HG21 1 +ATOM 3358 H HG22 . THR A 1 196 ? -15.993 33.021 -23.586 1.00 27.43 ? 186 THR A HG22 1 +ATOM 3359 H HG23 . THR A 1 196 ? -15.580 34.443 -24.134 1.00 27.43 ? 186 THR A HG23 1 +ATOM 3360 N N . LEU A 1 197 ? -13.522 31.584 -22.016 1.00 16.88 ? 187 LEU A N 1 +ATOM 3361 C CA . LEU A 1 197 ? -13.878 31.074 -20.687 1.00 16.43 ? 187 LEU A CA 1 +ATOM 3362 C C . LEU A 1 197 ? -13.042 31.748 -19.621 1.00 18.73 ? 187 LEU A C 1 +ATOM 3363 O O . LEU A 1 197 ? -13.569 32.130 -18.560 1.00 18.75 ? 187 LEU A O 1 +ATOM 3364 C CB . LEU A 1 197 ? -13.684 29.575 -20.687 1.00 15.56 ? 187 LEU A CB 1 +ATOM 3365 C CG . LEU A 1 197 ? -14.685 28.791 -21.531 1.00 16.06 ? 187 LEU A CG 1 +ATOM 3366 C CD1 . LEU A 1 197 ? -14.190 27.399 -21.815 1.00 17.01 ? 187 LEU A CD1 1 +ATOM 3367 C CD2 . LEU A 1 197 ? -16.074 28.743 -20.920 1.00 16.89 ? 187 LEU A CD2 1 +ATOM 3368 H H . LEU A 1 197 ? -13.257 30.984 -22.572 1.00 20.26 ? 187 LEU A H 1 +ATOM 3369 H HA . LEU A 1 197 ? -14.808 31.260 -20.482 1.00 19.71 ? 187 LEU A HA 1 +ATOM 3370 H HB2 . LEU A 1 197 ? -12.799 29.382 -21.032 1.00 18.68 ? 187 LEU A HB2 1 +ATOM 3371 H HB3 . LEU A 1 197 ? -13.762 29.257 -19.774 1.00 18.68 ? 187 LEU A HB3 1 +ATOM 3372 H HG . LEU A 1 197 ? -14.768 29.267 -22.372 1.00 19.27 ? 187 LEU A HG 1 +ATOM 3373 H HD11 . LEU A 1 197 ? -14.857 26.927 -22.337 1.00 20.41 ? 187 LEU A HD11 1 +ATOM 3374 H HD12 . LEU A 1 197 ? -13.359 27.455 -22.313 1.00 20.41 ? 187 LEU A HD12 1 +ATOM 3375 H HD13 . LEU A 1 197 ? -14.041 26.939 -20.974 1.00 20.41 ? 187 LEU A HD13 1 +ATOM 3376 H HD21 . LEU A 1 197 ? -16.652 28.214 -21.491 1.00 20.26 ? 187 LEU A HD21 1 +ATOM 3377 H HD22 . LEU A 1 197 ? -16.018 28.339 -20.040 1.00 20.26 ? 187 LEU A HD22 1 +ATOM 3378 H HD23 . LEU A 1 197 ? -16.418 29.647 -20.847 1.00 20.26 ? 187 LEU A HD23 1 +ATOM 3379 N N . LYS A 1 198 ? -11.743 31.909 -19.840 1.00 17.29 ? 188 LYS A N 1 +ATOM 3380 C CA A LYS A 1 198 ? -10.914 32.583 -18.844 0.72 18.40 ? 188 LYS A CA 1 +ATOM 3381 C CA B LYS A 1 198 ? -10.939 32.595 -18.815 0.28 19.31 ? 188 LYS A CA 1 +ATOM 3382 C C . LYS A 1 198 ? -11.357 34.039 -18.665 1.00 19.45 ? 188 LYS A C 1 +ATOM 3383 O O . LYS A 1 198 ? -11.458 34.544 -17.545 1.00 21.57 ? 188 LYS A O 1 +ATOM 3384 C CB A LYS A 1 198 ? -9.456 32.503 -19.229 0.72 19.04 ? 188 LYS A CB 1 +ATOM 3385 C CB B LYS A 1 198 ? -9.457 32.659 -19.084 0.28 24.88 ? 188 LYS A CB 1 +ATOM 3386 C CG A LYS A 1 198 ? -8.535 32.872 -18.023 0.72 42.50 ? 188 LYS A CG 1 +ATOM 3387 C CG B LYS A 1 198 ? -8.773 31.409 -19.368 0.28 21.61 ? 188 LYS A CG 1 +ATOM 3388 C CD A LYS A 1 198 ? -7.020 32.848 -18.297 0.72 64.04 ? 188 LYS A CD 1 +ATOM 3389 C CD B LYS A 1 198 ? -7.906 31.675 -20.600 0.28 59.29 ? 188 LYS A CD 1 +ATOM 3390 C CE A LYS A 1 198 ? -6.452 31.466 -18.639 0.72 55.02 ? 188 LYS A CE 1 +ATOM 3391 C CE B LYS A 1 198 ? -6.507 31.137 -20.448 0.28 31.91 ? 188 LYS A CE 1 +ATOM 3392 N NZ A LYS A 1 198 ? -6.540 31.121 -20.101 0.72 39.29 ? 188 LYS A NZ 1 +ATOM 3393 N NZ B LYS A 1 198 ? -6.023 31.481 -19.085 0.28 49.58 ? 188 LYS A NZ 1 +ATOM 3394 H H . LYS A 1 198 ? -11.320 31.645 -20.540 1.00 20.75 ? 188 LYS A H 1 +ATOM 3395 H HA . LYS A 1 198 ? -11.011 32.130 -17.992 1.00 23.17 ? 188 LYS A HA 1 +ATOM 3396 H HB2 A LYS A 1 198 ? -9.247 31.599 -19.511 0.72 22.85 ? 188 LYS A HB2 1 +ATOM 3397 H HB2 B LYS A 1 198 ? -9.319 33.235 -19.852 0.28 29.86 ? 188 LYS A HB2 1 +ATOM 3398 H HB3 A LYS A 1 198 ? -9.279 33.126 -19.952 0.72 22.85 ? 188 LYS A HB3 1 +ATOM 3399 H HB3 B LYS A 1 198 ? -9.030 33.041 -18.301 0.28 29.86 ? 188 LYS A HB3 1 +ATOM 3400 H HG2 A LYS A 1 198 ? -8.758 33.771 -17.734 0.72 51.00 ? 188 LYS A HG2 1 +ATOM 3401 H HG2 B LYS A 1 198 ? -8.212 31.149 -18.621 0.28 25.93 ? 188 LYS A HG2 1 +ATOM 3402 H HG3 A LYS A 1 198 ? -8.705 32.241 -17.306 0.72 51.00 ? 188 LYS A HG3 1 +ATOM 3403 H HG3 B LYS A 1 198 ? -9.413 30.706 -19.563 0.28 25.93 ? 188 LYS A HG3 1 +ATOM 3404 H HD2 A LYS A 1 198 ? -6.832 33.433 -19.047 0.72 76.84 ? 188 LYS A HD2 1 +ATOM 3405 H HD2 B LYS A 1 198 ? -8.310 31.248 -21.371 0.28 71.15 ? 188 LYS A HD2 1 +ATOM 3406 H HD3 A LYS A 1 198 ? -6.558 33.165 -17.505 0.72 76.84 ? 188 LYS A HD3 1 +ATOM 3407 H HD3 B LYS A 1 198 ? -7.845 32.632 -20.744 0.28 71.15 ? 188 LYS A HD3 1 +ATOM 3408 H HE2 A LYS A 1 198 ? -5.517 31.440 -18.384 0.72 66.03 ? 188 LYS A HE2 1 +ATOM 3409 H HE2 B LYS A 1 198 ? -6.507 30.172 -20.552 0.28 38.29 ? 188 LYS A HE2 1 +ATOM 3410 H HE3 A LYS A 1 198 ? -6.949 30.794 -18.146 0.72 66.03 ? 188 LYS A HE3 1 +ATOM 3411 H HE3 B LYS A 1 198 ? -5.920 31.541 -21.106 0.28 38.29 ? 188 LYS A HE3 1 +ATOM 3412 H HZ1 A LYS A 1 198 ? -6.167 30.327 -20.249 0.72 47.15 ? 188 LYS A HZ1 1 +ATOM 3413 H HZ1 B LYS A 1 198 ? -5.135 31.546 -19.085 0.28 59.49 ? 188 LYS A HZ1 1 +ATOM 3414 H HZ2 A LYS A 1 198 ? -7.392 31.093 -20.357 0.72 47.15 ? 188 LYS A HZ2 1 +ATOM 3415 H HZ2 B LYS A 1 198 ? -6.369 32.259 -18.826 0.28 59.49 ? 188 LYS A HZ2 1 +ATOM 3416 H HZ3 A LYS A 1 198 ? -6.114 31.735 -20.584 0.72 47.15 ? 188 LYS A HZ3 1 +ATOM 3417 H HZ3 B LYS A 1 198 ? -6.267 30.849 -18.507 0.28 59.49 ? 188 LYS A HZ3 1 +ATOM 3418 N N . GLU A 1 199 ? -11.611 34.737 -19.772 1.00 19.18 ? 189 GLU A N 1 +ATOM 3419 C CA . GLU A 1 199 ? -11.983 36.132 -19.699 1.00 19.84 ? 189 GLU A CA 1 +ATOM 3420 C C . GLU A 1 199 ? -13.281 36.308 -18.911 1.00 23.09 ? 189 GLU A C 1 +ATOM 3421 O O . GLU A 1 199 ? -13.453 37.300 -18.203 1.00 24.22 ? 189 GLU A O 1 +ATOM 3422 C CB . GLU A 1 199 ? -12.148 36.710 -21.110 1.00 23.41 ? 189 GLU A CB 1 +ATOM 3423 C CG . GLU A 1 199 ? -12.503 38.166 -21.165 1.00 31.06 ? 189 GLU A CG 1 +ATOM 3424 C CD . GLU A 1 199 ? -13.012 38.587 -22.532 1.00 62.68 ? 189 GLU A CD 1 +ATOM 3425 O OE1 . GLU A 1 199 ? -12.983 37.759 -23.471 1.00 56.93 ? 189 GLU A OE1 1 +ATOM 3426 O OE2 . GLU A 1 199 ? -13.464 39.742 -22.659 1.00 93.12 ? 189 GLU A OE2 1 +ATOM 3427 H H . GLU A 1 199 ? -11.573 34.420 -20.571 1.00 23.01 ? 189 GLU A H 1 +ATOM 3428 H HA . GLU A 1 199 ? -11.276 36.624 -19.253 1.00 23.81 ? 189 GLU A HA 1 +ATOM 3429 H HB2 . GLU A 1 199 ? -11.310 36.598 -21.586 1.00 28.09 ? 189 GLU A HB2 1 +ATOM 3430 H HB3 . GLU A 1 199 ? -12.854 36.222 -21.561 1.00 28.09 ? 189 GLU A HB3 1 +ATOM 3431 H HG2 . GLU A 1 199 ? -13.199 38.348 -20.515 1.00 37.28 ? 189 GLU A HG2 1 +ATOM 3432 H HG3 . GLU A 1 199 ? -11.714 38.693 -20.963 1.00 37.28 ? 189 GLU A HG3 1 +ATOM 3433 N N . LEU A 1 200 ? -14.196 35.344 -19.006 1.00 20.31 ? 190 LEU A N 1 +ATOM 3434 C CA . LEU A 1 200 ? -15.455 35.392 -18.284 1.00 22.03 ? 190 LEU A CA 1 +ATOM 3435 C C . LEU A 1 200 ? -15.315 35.022 -16.804 1.00 20.35 ? 190 LEU A C 1 +ATOM 3436 O O . LEU A 1 200 ? -16.311 35.096 -16.074 1.00 24.22 ? 190 LEU A O 1 +ATOM 3437 C CB . LEU A 1 200 ? -16.474 34.434 -18.942 1.00 20.64 ? 190 LEU A CB 1 +ATOM 3438 C CG . LEU A 1 200 ? -16.939 34.884 -20.339 1.00 21.97 ? 190 LEU A CG 1 +ATOM 3439 C CD1 . LEU A 1 200 ? -17.764 33.860 -21.045 1.00 21.03 ? 190 LEU A CD1 1 +ATOM 3440 C CD2 . LEU A 1 200 ? -17.739 36.194 -20.260 1.00 30.45 ? 190 LEU A CD2 1 +ATOM 3441 H H . LEU A 1 200 ? -14.106 34.640 -19.492 1.00 24.37 ? 190 LEU A H 1 +ATOM 3442 H HA . LEU A 1 200 ? -15.801 36.297 -18.336 1.00 26.44 ? 190 LEU A HA 1 +ATOM 3443 H HB2 . LEU A 1 200 ? -16.064 33.559 -19.033 1.00 24.76 ? 190 LEU A HB2 1 +ATOM 3444 H HB3 . LEU A 1 200 ? -17.258 34.375 -18.373 1.00 24.76 ? 190 LEU A HB3 1 +ATOM 3445 H HG . LEU A 1 200 ? -16.131 35.019 -20.859 1.00 26.36 ? 190 LEU A HG 1 +ATOM 3446 H HD11 . LEU A 1 200 ? -17.996 34.194 -21.925 1.00 25.24 ? 190 LEU A HD11 1 +ATOM 3447 H HD12 . LEU A 1 200 ? -17.251 33.042 -21.126 1.00 25.24 ? 190 LEU A HD12 1 +ATOM 3448 H HD13 . LEU A 1 200 ? -18.571 33.696 -20.531 1.00 25.24 ? 190 LEU A HD13 1 +ATOM 3449 H HD21 . LEU A 1 200 ? -18.118 36.385 -21.132 1.00 36.54 ? 190 LEU A HD21 1 +ATOM 3450 H HD22 . LEU A 1 200 ? -18.448 36.092 -19.606 1.00 36.54 ? 190 LEU A HD22 1 +ATOM 3451 H HD23 . LEU A 1 200 ? -17.143 36.912 -19.993 1.00 36.54 ? 190 LEU A HD23 1 +ATOM 3452 N N . GLY A 1 201 ? -14.153 34.585 -16.387 1.00 19.90 ? 191 GLY A N 1 +ATOM 3453 C CA . GLY A 1 201 ? -13.873 34.295 -14.977 1.00 20.89 ? 191 GLY A CA 1 +ATOM 3454 C C . GLY A 1 201 ? -14.110 32.867 -14.565 1.00 20.83 ? 191 GLY A C 1 +ATOM 3455 O O . GLY A 1 201 ? -14.092 32.560 -13.363 1.00 20.68 ? 191 GLY A O 1 +ATOM 3456 H H . GLY A 1 201 ? -13.482 34.440 -16.904 1.00 23.88 ? 191 GLY A H 1 +ATOM 3457 H HA2 . GLY A 1 201 ? -12.944 34.505 -14.796 1.00 25.06 ? 191 GLY A HA2 1 +ATOM 3458 H HA3 . GLY A 1 201 ? -14.438 34.859 -14.426 1.00 25.06 ? 191 GLY A HA3 1 +ATOM 3459 N N . TYR A 1 202 ? -14.299 31.946 -15.493 1.00 16.84 ? 192 TYR A N 1 +ATOM 3460 C CA . TYR A 1 202 ? -14.290 30.552 -15.138 1.00 15.87 ? 192 TYR A CA 1 +ATOM 3461 C C . TYR A 1 202 ? -12.903 30.117 -14.690 1.00 16.97 ? 192 TYR A C 1 +ATOM 3462 O O . TYR A 1 202 ? -11.867 30.580 -15.216 1.00 18.70 ? 192 TYR A O 1 +ATOM 3463 C CB . TYR A 1 202 ? -14.621 29.712 -16.377 1.00 17.03 ? 192 TYR A CB 1 +ATOM 3464 C CG . TYR A 1 202 ? -16.051 29.706 -16.834 1.00 15.56 ? 192 TYR A CG 1 +ATOM 3465 C CD1 . TYR A 1 202 ? -16.499 30.628 -17.751 1.00 16.17 ? 192 TYR A CD1 1 +ATOM 3466 C CD2 . TYR A 1 202 ? -16.926 28.708 -16.426 1.00 16.42 ? 192 TYR A CD2 1 +ATOM 3467 C CE1 . TYR A 1 202 ? -17.784 30.586 -18.242 1.00 16.09 ? 192 TYR A CE1 1 +ATOM 3468 C CE2 . TYR A 1 202 ? -18.210 28.650 -16.915 1.00 15.89 ? 192 TYR A CE2 1 +ATOM 3469 C CZ . TYR A 1 202 ? -18.618 29.560 -17.839 1.00 15.74 ? 192 TYR A CZ 1 +ATOM 3470 O OH . TYR A 1 202 ? -19.907 29.435 -18.316 1.00 17.34 ? 192 TYR A OH 1 +ATOM 3471 H H . TYR A 1 202 ? -14.434 32.106 -16.328 1.00 20.20 ? 192 TYR A H 1 +ATOM 3472 H HA . TYR A 1 202 ? -14.933 30.406 -14.426 1.00 19.04 ? 192 TYR A HA 1 +ATOM 3473 H HB2 . TYR A 1 202 ? -14.090 30.048 -17.116 1.00 20.44 ? 192 TYR A HB2 1 +ATOM 3474 H HB3 . TYR A 1 202 ? -14.381 28.792 -16.187 1.00 20.44 ? 192 TYR A HB3 1 +ATOM 3475 H HD1 . TYR A 1 202 ? -15.921 31.294 -18.045 1.00 19.40 ? 192 TYR A HD1 1 +ATOM 3476 H HD2 . TYR A 1 202 ? -16.639 28.069 -15.814 1.00 19.71 ? 192 TYR A HD2 1 +ATOM 3477 H HE1 . TYR A 1 202 ? -18.086 31.236 -18.835 1.00 19.31 ? 192 TYR A HE1 1 +ATOM 3478 H HE2 . TYR A 1 202 ? -18.796 27.993 -16.616 1.00 19.06 ? 192 TYR A HE2 1 +ATOM 3479 H HH . TYR A 1 202 ? -20.074 30.055 -18.857 1.00 20.80 ? 192 TYR A HH 1 +ATOM 3480 N N . GLU A 1 203 ? -12.854 29.172 -13.749 1.00 16.26 ? 193 GLU A N 1 +ATOM 3481 C CA A GLU A 1 203 ? -11.682 28.311 -13.631 0.58 16.30 ? 193 GLU A CA 1 +ATOM 3482 C CA B GLU A 1 203 ? -11.687 28.307 -13.635 0.42 15.17 ? 193 GLU A CA 1 +ATOM 3483 C C . GLU A 1 203 ? -11.680 27.407 -14.848 1.00 17.00 ? 193 GLU A C 1 +ATOM 3484 O O . GLU A 1 203 ? -12.674 26.711 -15.106 1.00 17.13 ? 193 GLU A O 1 +ATOM 3485 C CB A GLU A 1 203 ? -11.721 27.503 -12.334 0.58 16.74 ? 193 GLU A CB 1 +ATOM 3486 C CB B GLU A 1 203 ? -11.779 27.454 -12.387 0.42 14.42 ? 193 GLU A CB 1 +ATOM 3487 C CG A GLU A 1 203 ? -11.631 28.418 -11.104 0.58 14.98 ? 193 GLU A CG 1 +ATOM 3488 C CG B GLU A 1 203 ? -11.183 28.078 -11.180 0.42 39.44 ? 193 GLU A CG 1 +ATOM 3489 C CD A GLU A 1 203 ? -11.641 27.723 -9.744 0.58 26.40 ? 193 GLU A CD 1 +ATOM 3490 C CD B GLU A 1 203 ? -11.397 27.181 -10.027 0.42 34.90 ? 193 GLU A CD 1 +ATOM 3491 O OE1 A GLU A 1 203 ? -11.356 26.503 -9.650 0.58 17.05 ? 193 GLU A OE1 1 +ATOM 3492 O OE1 B GLU A 1 203 ? -12.464 27.327 -9.399 0.42 19.43 ? 193 GLU A OE1 1 +ATOM 3493 O OE2 A GLU A 1 203 ? -11.958 28.444 -8.742 0.58 20.37 ? 193 GLU A OE2 1 +ATOM 3494 O OE2 B GLU A 1 203 ? -10.550 26.267 -9.846 0.42 19.77 ? 193 GLU A OE2 1 +ATOM 3495 H H A GLU A 1 203 ? -13.477 29.014 -13.178 0.58 19.51 ? 193 GLU A H 1 +ATOM 3496 H H B GLU A 1 203 ? -13.475 29.017 -13.175 0.42 19.51 ? 193 GLU A H 1 +ATOM 3497 H HA A GLU A 1 203 ? -10.865 28.833 -13.596 0.58 19.57 ? 193 GLU A HA 1 +ATOM 3498 H HA B GLU A 1 203 ? -10.877 28.838 -13.581 0.42 18.20 ? 193 GLU A HA 1 +ATOM 3499 H HB2 A GLU A 1 203 ? -12.554 27.009 -12.288 0.58 20.08 ? 193 GLU A HB2 1 +ATOM 3500 H HB2 B GLU A 1 203 ? -12.714 27.281 -12.198 0.42 17.30 ? 193 GLU A HB2 1 +ATOM 3501 H HB3 A GLU A 1 203 ? -10.970 26.889 -12.314 0.58 20.08 ? 193 GLU A HB3 1 +ATOM 3502 H HB3 B GLU A 1 203 ? -11.312 26.619 -12.548 0.42 17.30 ? 193 GLU A HB3 1 +ATOM 3503 H HG2 A GLU A 1 203 ? -10.803 28.921 -11.161 0.58 17.97 ? 193 GLU A HG2 1 +ATOM 3504 H HG2 B GLU A 1 203 ? -10.230 28.205 -11.310 0.42 47.33 ? 193 GLU A HG2 1 +ATOM 3505 H HG3 A GLU A 1 203 ? -12.389 29.024 -11.121 0.58 17.97 ? 193 GLU A HG3 1 +ATOM 3506 H HG3 B GLU A 1 203 ? -11.611 28.930 -11.003 0.42 47.33 ? 193 GLU A HG3 1 +ATOM 3507 N N A THR A 1 204 ? -10.603 27.444 -15.618 0.59 14.17 ? 194 THR A N 1 +ATOM 3508 N N B THR A 1 204 ? -10.655 27.525 -15.674 0.41 18.99 ? 194 THR A N 1 +ATOM 3509 C CA A THR A 1 204 ? -10.578 26.886 -16.961 0.59 13.92 ? 194 THR A CA 1 +ATOM 3510 C CA B THR A 1 204 ? -10.663 26.835 -16.948 0.41 20.19 ? 194 THR A CA 1 +ATOM 3511 C C A THR A 1 204 ? -9.636 25.715 -17.021 0.59 16.15 ? 194 THR A C 1 +ATOM 3512 C C B THR A 1 204 ? -9.679 25.692 -16.961 0.41 13.49 ? 194 THR A C 1 +ATOM 3513 O O A THR A 1 204 ? -8.471 25.809 -16.598 0.59 16.86 ? 194 THR A O 1 +ATOM 3514 O O B THR A 1 204 ? -8.537 25.796 -16.479 0.41 15.24 ? 194 THR A O 1 +ATOM 3515 C CB A THR A 1 204 ? -10.168 27.981 -17.935 0.59 14.37 ? 194 THR A CB 1 +ATOM 3516 C CB B THR A 1 204 ? -10.402 27.760 -18.123 0.41 18.49 ? 194 THR A CB 1 +ATOM 3517 O OG1 A THR A 1 204 ? -11.071 29.094 -17.790 0.59 21.25 ? 194 THR A OG1 1 +ATOM 3518 O OG1 B THR A 1 204 ? -9.054 28.211 -18.086 0.41 17.55 ? 194 THR A OG1 1 +ATOM 3519 C CG2 A THR A 1 204 ? -10.262 27.535 -19.373 0.59 18.06 ? 194 THR A CG2 1 +ATOM 3520 C CG2 B THR A 1 204 ? -11.353 28.933 -18.065 0.41 14.79 ? 194 THR A CG2 1 +ATOM 3521 H H A THR A 1 204 ? -9.856 27.796 -15.378 0.59 17.01 ? 194 THR A H 1 +ATOM 3522 H H B THR A 1 204 ? -9.952 27.995 -15.519 0.41 22.79 ? 194 THR A H 1 +ATOM 3523 H HA A THR A 1 204 ? -11.450 26.543 -17.211 0.59 16.71 ? 194 THR A HA 1 +ATOM 3524 H HA B THR A 1 204 ? -11.551 26.463 -17.065 0.41 24.22 ? 194 THR A HA 1 +ATOM 3525 H HB A THR A 1 204 ? -9.248 28.222 -17.742 0.59 17.24 ? 194 THR A HB 1 +ATOM 3526 H HB B THR A 1 204 ? -10.545 27.292 -18.961 0.41 22.18 ? 194 THR A HB 1 +ATOM 3527 H HG1 A THR A 1 204 ? -10.833 29.724 -18.292 0.59 25.50 ? 194 THR A HG1 1 +ATOM 3528 H HG1 B THR A 1 204 ? -8.910 28.737 -18.724 0.41 21.06 ? 194 THR A HG1 1 +ATOM 3529 H HG21 A THR A 1 204 ? -10.551 28.274 -19.931 0.59 21.68 ? 194 THR A HG21 1 +ATOM 3530 H HG21 B THR A 1 204 ? -11.308 29.438 -18.893 0.41 17.75 ? 194 THR A HG21 1 +ATOM 3531 H HG22 A THR A 1 204 ? -9.396 27.227 -19.682 0.59 21.68 ? 194 THR A HG22 1 +ATOM 3532 H HG22 B THR A 1 204 ? -12.261 28.619 -17.937 0.41 17.75 ? 194 THR A HG22 1 +ATOM 3533 H HG23 A THR A 1 204 ? -10.902 26.810 -19.454 0.59 21.68 ? 194 THR A HG23 1 +ATOM 3534 H HG23 B THR A 1 204 ? -11.115 29.517 -17.328 0.41 17.75 ? 194 THR A HG23 1 +ATOM 3535 N N . GLY A 1 205 ? -10.130 24.606 -17.559 1.00 13.93 ? 195 GLY A N 1 +ATOM 3536 C CA . GLY A 1 205 ? -9.357 23.407 -17.717 1.00 13.80 ? 195 GLY A CA 1 +ATOM 3537 C C . GLY A 1 205 ? -9.048 23.050 -19.148 1.00 13.04 ? 195 GLY A C 1 +ATOM 3538 O O . GLY A 1 205 ? -9.973 23.042 -19.993 1.00 13.89 ? 195 GLY A O 1 +ATOM 3539 H H A GLY A 1 205 ? -10.938 24.532 -17.845 0.59 16.72 ? 195 GLY A H 1 +ATOM 3540 H H B GLY A 1 205 ? -10.919 24.541 -17.895 0.41 16.72 ? 195 GLY A H 1 +ATOM 3541 H HA2 . GLY A 1 205 ? -8.514 23.514 -17.249 1.00 16.55 ? 195 GLY A HA2 1 +ATOM 3542 H HA3 . GLY A 1 205 ? -9.844 22.666 -17.324 1.00 16.55 ? 195 GLY A HA3 1 +ATOM 3543 N N . ALA A 1 206 ? -7.806 22.718 -19.440 1.00 13.08 ? 196 ALA A N 1 +ATOM 3544 C CA . ALA A 1 206 ? -7.401 22.198 -20.733 1.00 12.71 ? 196 ALA A CA 1 +ATOM 3545 C C . ALA A 1 206 ? -6.810 20.819 -20.532 1.00 13.44 ? 196 ALA A C 1 +ATOM 3546 O O . ALA A 1 206 ? -7.172 20.154 -19.558 1.00 13.34 ? 196 ALA A O 1 +ATOM 3547 C CB . ALA A 1 206 ? -6.451 23.179 -21.436 1.00 15.34 ? 196 ALA A CB 1 +ATOM 3548 H H . ALA A 1 206 ? -7.152 22.785 -18.886 1.00 15.69 ? 196 ALA A H 1 +ATOM 3549 H HA . ALA A 1 206 ? -8.156 22.107 -21.336 1.00 15.25 ? 196 ALA A HA 1 +ATOM 3550 H HB1 . ALA A 1 206 ? -6.247 22.841 -22.322 1.00 18.41 ? 196 ALA A HB1 1 +ATOM 3551 H HB2 . ALA A 1 206 ? -6.884 24.045 -21.503 1.00 18.41 ? 196 ALA A HB2 1 +ATOM 3552 H HB3 . ALA A 1 206 ? -5.636 23.256 -20.916 1.00 18.41 ? 196 ALA A HB3 1 +ATOM 3553 N N . GLY A 1 207 ? -5.891 20.363 -21.401 1.00 13.18 ? 197 GLY A N 1 +ATOM 3554 C CA . GLY A 1 207 ? -5.284 19.054 -21.279 1.00 13.84 ? 197 GLY A CA 1 +ATOM 3555 C C . GLY A 1 207 ? -5.395 18.274 -22.563 1.00 13.37 ? 197 GLY A C 1 +ATOM 3556 O O . GLY A 1 207 ? -6.340 18.419 -23.315 1.00 15.46 ? 197 GLY A O 1 +ATOM 3557 H H . GLY A 1 207 ? -5.606 20.811 -22.077 1.00 15.81 ? 197 GLY A H 1 +ATOM 3558 H HA2 . GLY A 1 207 ? -4.344 19.151 -21.056 1.00 16.61 ? 197 GLY A HA2 1 +ATOM 3559 H HA3 . GLY A 1 207 ? -5.725 18.555 -20.574 1.00 16.61 ? 197 GLY A HA3 1 +ATOM 3560 N N . SER A 1 208 ? -4.470 17.379 -22.750 1.00 15.08 ? 198 SER A N 1 +ATOM 3561 C CA . SER A 1 208 ? -4.345 16.634 -24.009 1.00 16.12 ? 198 SER A CA 1 +ATOM 3562 C C . SER A 1 208 ? -4.596 15.147 -23.810 1.00 13.43 ? 198 SER A C 1 +ATOM 3563 O O . SER A 1 208 ? -4.648 14.602 -22.686 1.00 15.02 ? 198 SER A O 1 +ATOM 3564 C CB . SER A 1 208 ? -2.972 16.891 -24.642 1.00 18.92 ? 198 SER A CB 1 +ATOM 3565 O OG . SER A 1 208 ? -1.980 16.674 -23.620 1.00 21.07 ? 198 SER A OG 1 +ATOM 3566 H H . SER A 1 208 ? -3.880 17.167 -22.161 1.00 18.09 ? 198 SER A H 1 +ATOM 3567 H HA . SER A 1 208 ? -5.032 16.937 -24.623 1.00 19.34 ? 198 SER A HA 1 +ATOM 3568 H HB2 . SER A 1 208 ? -2.827 16.274 -25.377 1.00 22.70 ? 198 SER A HB2 1 +ATOM 3569 H HB3 . SER A 1 208 ? -2.922 17.805 -24.962 1.00 22.70 ? 198 SER A HB3 1 +ATOM 3570 H HG . SER A 1 208 ? -2.013 15.879 -23.351 1.00 25.29 ? 198 SER A HG 1 +ATOM 3571 N N . MET A 1 209 ? -4.717 14.464 -24.941 1.00 13.63 ? 199 MET A N 1 +ATOM 3572 C CA . MET A 1 209 ? -4.597 13.010 -24.998 1.00 14.49 ? 199 MET A CA 1 +ATOM 3573 C C . MET A 1 209 ? -3.187 12.678 -25.402 1.00 14.29 ? 199 MET A C 1 +ATOM 3574 O O . MET A 1 209 ? -2.531 13.449 -26.136 1.00 15.85 ? 199 MET A O 1 +ATOM 3575 C CB . MET A 1 209 ? -5.598 12.377 -25.989 1.00 16.11 ? 199 MET A CB 1 +ATOM 3576 C CG . MET A 1 209 ? -7.013 12.374 -25.503 1.00 15.50 ? 199 MET A CG 1 +ATOM 3577 S SD . MET A 1 209 ? -8.188 11.771 -26.729 1.00 17.22 ? 199 MET A SD 1 +ATOM 3578 C CE . MET A 1 209 ? -8.315 13.214 -27.726 1.00 17.48 ? 199 MET A CE 1 +ATOM 3579 H H . MET A 1 209 ? -4.872 14.827 -25.705 1.00 16.36 ? 199 MET A H 1 +ATOM 3580 H HA . MET A 1 209 ? -4.807 12.629 -24.131 1.00 17.39 ? 199 MET A HA 1 +ATOM 3581 H HB2 . MET A 1 209 ? -5.571 12.877 -26.820 1.00 19.34 ? 199 MET A HB2 1 +ATOM 3582 H HB3 . MET A 1 209 ? -5.338 11.456 -26.148 1.00 19.34 ? 199 MET A HB3 1 +ATOM 3583 H HG2 . MET A 1 209 ? -7.076 11.800 -24.723 1.00 18.61 ? 199 MET A HG2 1 +ATOM 3584 H HG3 . MET A 1 209 ? -7.266 13.280 -25.269 1.00 18.61 ? 199 MET A HG3 1 +ATOM 3585 H HE1 . MET A 1 209 ? -8.875 13.018 -28.494 1.00 20.98 ? 199 MET A HE1 1 +ATOM 3586 H HE2 . MET A 1 209 ? -8.711 13.927 -27.201 1.00 20.98 ? 199 MET A HE2 1 +ATOM 3587 H HE3 . MET A 1 209 ? -7.429 13.473 -28.021 1.00 20.98 ? 199 MET A HE3 1 +ATOM 3588 N N . VAL A 1 210 ? -2.674 11.574 -24.884 1.00 13.42 ? 200 VAL A N 1 +ATOM 3589 C CA . VAL A 1 210 ? -1.325 11.098 -25.158 1.00 13.80 ? 200 VAL A CA 1 +ATOM 3590 C C . VAL A 1 210 ? -1.390 9.827 -25.962 1.00 14.42 ? 200 VAL A C 1 +ATOM 3591 O O . VAL A 1 210 ? -2.121 8.900 -25.630 1.00 15.00 ? 200 VAL A O 1 +ATOM 3592 C CB . VAL A 1 210 ? -0.574 10.874 -23.829 1.00 14.42 ? 200 VAL A CB 1 +ATOM 3593 C CG1 . VAL A 1 210 ? 0.780 10.270 -24.078 1.00 17.25 ? 200 VAL A CG1 1 +ATOM 3594 C CG2 . VAL A 1 210 ? -0.532 12.124 -23.063 1.00 15.93 ? 200 VAL A CG2 1 +ATOM 3595 H H . VAL A 1 210 ? -3.106 11.059 -24.347 1.00 16.11 ? 200 VAL A H 1 +ATOM 3596 H HA . VAL A 1 210 ? -0.852 11.749 -25.700 1.00 16.56 ? 200 VAL A HA 1 +ATOM 3597 H HB . VAL A 1 210 ? -1.048 10.231 -23.279 1.00 17.30 ? 200 VAL A HB 1 +ATOM 3598 H HG11 . VAL A 1 210 ? 1.324 10.375 -23.282 1.00 20.70 ? 200 VAL A HG11 1 +ATOM 3599 H HG12 . VAL A 1 210 ? 0.673 9.327 -24.282 1.00 20.70 ? 200 VAL A HG12 1 +ATOM 3600 H HG13 . VAL A 1 210 ? 1.197 10.725 -24.826 1.00 20.70 ? 200 VAL A HG13 1 +ATOM 3601 H HG21 . VAL A 1 210 ? 0.012 11.991 -22.271 1.00 19.11 ? 200 VAL A HG21 1 +ATOM 3602 H HG22 . VAL A 1 210 ? -0.145 12.821 -23.616 1.00 19.11 ? 200 VAL A HG22 1 +ATOM 3603 H HG23 . VAL A 1 210 ? -1.435 12.368 -22.807 1.00 19.11 ? 200 VAL A HG23 1 +ATOM 3604 N N . GLY A 1 211 ? -0.669 9.813 -27.082 1.00 15.39 ? 201 GLY A N 1 +ATOM 3605 C CA . GLY A 1 211 ? -0.647 8.658 -27.962 1.00 15.42 ? 201 GLY A CA 1 +ATOM 3606 C C . GLY A 1 211 ? -1.602 8.718 -29.106 1.00 15.63 ? 201 GLY A C 1 +ATOM 3607 O O . GLY A 1 211 ? -1.870 7.683 -29.719 1.00 16.86 ? 201 GLY A O 1 +ATOM 3608 H H . GLY A 1 211 ? -0.181 10.467 -27.352 1.00 18.46 ? 201 GLY A H 1 +ATOM 3609 H HA2 . GLY A 1 211 ? 0.246 8.564 -28.327 1.00 18.51 ? 201 GLY A HA2 1 +ATOM 3610 H HA3 . GLY A 1 211 ? -0.860 7.868 -27.441 1.00 18.51 ? 201 GLY A HA3 1 +ATOM 3611 N N . LEU A 1 212 ? -2.085 9.891 -29.454 1.00 15.86 ? 202 LEU A N 1 +ATOM 3612 C CA . LEU A 1 212 ? -2.930 10.023 -30.638 1.00 15.93 ? 202 LEU A CA 1 +ATOM 3613 C C . LEU A 1 212 ? -2.153 9.617 -31.875 1.00 17.20 ? 202 LEU A C 1 +ATOM 3614 O O . LEU A 1 212 ? -0.945 9.792 -31.952 1.00 17.52 ? 202 LEU A O 1 +ATOM 3615 C CB . LEU A 1 212 ? -3.433 11.467 -30.789 1.00 16.81 ? 202 LEU A CB 1 +ATOM 3616 C CG . LEU A 1 212 ? -4.432 11.918 -29.735 1.00 15.41 ? 202 LEU A CG 1 +ATOM 3617 C CD1 . LEU A 1 212 ? -4.528 13.427 -29.764 1.00 16.92 ? 202 LEU A CD1 1 +ATOM 3618 C CD2 . LEU A 1 212 ? -5.746 11.317 -30.009 1.00 17.18 ? 202 LEU A CD2 1 +ATOM 3619 H H . LEU A 1 212 ? -1.945 10.626 -29.030 1.00 19.04 ? 202 LEU A H 1 +ATOM 3620 H HA . LEU A 1 212 ? -3.703 9.443 -30.549 1.00 19.11 ? 202 LEU A HA 1 +ATOM 3621 H HB2 . LEU A 1 212 ? -2.669 12.063 -30.740 1.00 20.18 ? 202 LEU A HB2 1 +ATOM 3622 H HB3 . LEU A 1 212 ? -3.864 11.551 -31.654 1.00 20.18 ? 202 LEU A HB3 1 +ATOM 3623 H HG . LEU A 1 212 ? -4.146 11.636 -28.852 1.00 18.50 ? 202 LEU A HG 1 +ATOM 3624 H HD11 . LEU A 1 212 ? -5.166 13.715 -29.092 1.00 20.31 ? 202 LEU A HD11 1 +ATOM 3625 H HD12 . LEU A 1 212 ? -3.654 13.802 -29.573 1.00 20.31 ? 202 LEU A HD12 1 +ATOM 3626 H HD13 . LEU A 1 212 ? -4.824 13.707 -30.644 1.00 20.31 ? 202 LEU A HD13 1 +ATOM 3627 H HD21 . LEU A 1 212 ? -6.384 11.642 -29.355 1.00 20.61 ? 202 LEU A HD21 1 +ATOM 3628 H HD22 . LEU A 1 212 ? -6.028 11.570 -30.902 1.00 20.61 ? 202 LEU A HD22 1 +ATOM 3629 H HD23 . LEU A 1 212 ? -5.671 10.352 -29.947 1.00 20.61 ? 202 LEU A HD23 1 +ATOM 3630 N N . PRO A 1 213 ? -2.842 9.103 -32.895 1.00 18.01 ? 203 PRO A N 1 +ATOM 3631 C CA . PRO A 1 213 ? -2.145 8.763 -34.147 1.00 18.71 ? 203 PRO A CA 1 +ATOM 3632 C C . PRO A 1 213 ? -1.521 10.012 -34.762 1.00 19.41 ? 203 PRO A C 1 +ATOM 3633 O O . PRO A 1 213 ? -2.157 11.078 -34.766 1.00 24.53 ? 203 PRO A O 1 +ATOM 3634 C CB . PRO A 1 213 ? -3.265 8.220 -35.043 1.00 23.31 ? 203 PRO A CB 1 +ATOM 3635 C CG . PRO A 1 213 ? -4.389 8.130 -34.291 1.00 24.34 ? 203 PRO A CG 1 +ATOM 3636 C CD . PRO A 1 213 ? -4.270 8.833 -32.964 1.00 20.27 ? 203 PRO A CD 1 +ATOM 3637 H HA . PRO A 1 213 ? -1.474 8.079 -33.997 1.00 22.45 ? 203 PRO A HA 1 +ATOM 3638 H HB2 . PRO A 1 213 ? -3.403 8.829 -35.785 1.00 27.98 ? 203 PRO A HB2 1 +ATOM 3639 H HB3 . PRO A 1 213 ? -3.010 7.345 -35.375 1.00 27.98 ? 203 PRO A HB3 1 +ATOM 3640 H HG2 . PRO A 1 213 ? -5.116 8.527 -34.796 1.00 29.21 ? 203 PRO A HG2 1 +ATOM 3641 H HG3 . PRO A 1 213 ? -4.568 7.189 -34.136 1.00 29.21 ? 203 PRO A HG3 1 +ATOM 3642 H HD2 . PRO A 1 213 ? -4.783 9.656 -32.957 1.00 24.33 ? 203 PRO A HD2 1 +ATOM 3643 H HD3 . PRO A 1 213 ? -4.554 8.258 -32.236 1.00 24.33 ? 203 PRO A HD3 1 +ATOM 3644 N N . GLY A 1 214 ? -0.286 9.899 -35.145 1.00 21.50 ? 204 GLY A N 1 +ATOM 3645 C CA . GLY A 1 214 ? 0.464 10.995 -35.737 1.00 24.62 ? 204 GLY A CA 1 +ATOM 3646 C C . GLY A 1 214 ? 1.110 11.939 -34.735 1.00 25.01 ? 204 GLY A C 1 +ATOM 3647 O O . GLY A 1 214 ? 1.816 12.865 -35.141 1.00 28.20 ? 204 GLY A O 1 +ATOM 3648 H H . GLY A 1 214 ? 0.171 9.174 -35.075 1.00 25.80 ? 204 GLY A H 1 +ATOM 3649 H HA2 . GLY A 1 214 ? 1.168 10.626 -36.293 1.00 29.54 ? 204 GLY A HA2 1 +ATOM 3650 H HA3 . GLY A 1 214 ? -0.136 11.518 -36.293 1.00 29.54 ? 204 GLY A HA3 1 +ATOM 3651 N N . GLN A 1 215 ? 0.916 11.741 -33.437 1.00 19.85 ? 205 GLN A N 1 +ATOM 3652 C CA . GLN A 1 215 ? 1.454 12.626 -32.436 1.00 21.81 ? 205 GLN A CA 1 +ATOM 3653 C C . GLN A 1 215 ? 2.831 12.117 -32.048 1.00 19.64 ? 205 GLN A C 1 +ATOM 3654 O O . GLN A 1 215 ? 3.017 10.922 -31.807 1.00 23.67 ? 205 GLN A O 1 +ATOM 3655 C CB . GLN A 1 215 ? 0.516 12.546 -31.242 1.00 19.04 ? 205 GLN A CB 1 +ATOM 3656 C CG . GLN A 1 215 ? 0.821 13.484 -30.093 1.00 17.29 ? 205 GLN A CG 1 +ATOM 3657 C CD . GLN A 1 215 ? -0.148 13.252 -28.966 1.00 17.70 ? 205 GLN A CD 1 +ATOM 3658 O OE1 . GLN A 1 215 ? -0.280 12.107 -28.552 1.00 19.51 ? 205 GLN A OE1 1 +ATOM 3659 N NE2 . GLN A 1 215 ? -0.811 14.267 -28.518 1.00 16.52 ? 205 GLN A NE2 1 +ATOM 3660 H H . GLN A 1 215 ? 0.465 11.085 -33.112 1.00 23.82 ? 205 GLN A H 1 +ATOM 3661 H HA . GLN A 1 215 ? 1.539 13.543 -32.739 1.00 26.17 ? 205 GLN A HA 1 +ATOM 3662 H HB2 . GLN A 1 215 ? -0.381 12.749 -31.547 1.00 22.85 ? 205 GLN A HB2 1 +ATOM 3663 H HB3 . GLN A 1 215 ? 0.550 11.642 -30.890 1.00 22.85 ? 205 GLN A HB3 1 +ATOM 3664 H HG2 . GLN A 1 215 ? 1.720 13.321 -29.769 1.00 20.75 ? 205 GLN A HG2 1 +ATOM 3665 H HG3 . GLN A 1 215 ? 0.736 14.403 -30.391 1.00 20.75 ? 205 GLN A HG3 1 +ATOM 3666 H HE21 . GLN A 1 215 ? -0.692 15.046 -28.864 1.00 19.83 ? 205 GLN A HE21 1 +ATOM 3667 H HE22 . GLN A 1 215 ? -1.372 14.164 -27.874 1.00 19.83 ? 205 GLN A HE22 1 +ATOM 3668 N N . THR A 1 216 ? 3.796 13.019 -31.926 1.00 17.89 ? 206 THR A N 1 +ATOM 3669 C CA . THR A 1 216 ? 5.172 12.704 -31.564 1.00 19.41 ? 206 THR A CA 1 +ATOM 3670 C C . THR A 1 216 ? 5.558 13.291 -30.207 1.00 18.60 ? 206 THR A C 1 +ATOM 3671 O O . THR A 1 216 ? 4.801 14.067 -29.570 1.00 17.52 ? 206 THR A O 1 +ATOM 3672 C CB . THR A 1 216 ? 6.152 13.315 -32.597 1.00 19.84 ? 206 THR A CB 1 +ATOM 3673 O OG1 . THR A 1 216 ? 6.036 14.730 -32.489 1.00 21.87 ? 206 THR A OG1 1 +ATOM 3674 C CG2 . THR A 1 216 ? 5.783 12.888 -33.999 1.00 23.91 ? 206 THR A CG2 1 +ATOM 3675 H H . THR A 1 216 ? 3.673 13.861 -32.054 1.00 21.47 ? 206 THR A H 1 +ATOM 3676 H HA . THR A 1 216 ? 5.239 11.737 -31.529 1.00 23.29 ? 206 THR A HA 1 +ATOM 3677 H HB . THR A 1 216 ? 7.062 13.021 -32.432 1.00 23.81 ? 206 THR A HB 1 +ATOM 3678 H HG1 . THR A 1 216 ? 6.552 15.103 -33.037 1.00 26.25 ? 206 THR A HG1 1 +ATOM 3679 H HG21 . THR A 1 216 ? 6.458 13.191 -34.626 1.00 28.70 ? 206 THR A HG21 1 +ATOM 3680 H HG22 . THR A 1 216 ? 5.722 11.921 -34.046 1.00 28.70 ? 206 THR A HG22 1 +ATOM 3681 H HG23 . THR A 1 216 ? 4.928 13.271 -34.248 1.00 28.70 ? 206 THR A HG23 1 +ATOM 3682 N N . ILE A 1 217 ? 6.769 12.948 -29.753 1.00 20.29 ? 207 ILE A N 1 +ATOM 3683 C CA . ILE A 1 217 ? 7.247 13.531 -28.511 1.00 18.86 ? 207 ILE A CA 1 +ATOM 3684 C C . ILE A 1 217 ? 7.343 15.026 -28.630 1.00 18.74 ? 207 ILE A C 1 +ATOM 3685 O O . ILE A 1 217 ? 7.032 15.750 -27.686 1.00 17.73 ? 207 ILE A O 1 +ATOM 3686 C CB . ILE A 1 217 ? 8.599 12.917 -28.079 1.00 22.03 ? 207 ILE A CB 1 +ATOM 3687 C CG1 . ILE A 1 217 ? 8.438 11.431 -27.837 1.00 28.02 ? 207 ILE A CG1 1 +ATOM 3688 C CG2 . ILE A 1 217 ? 9.187 13.653 -26.906 1.00 22.21 ? 207 ILE A CG2 1 +ATOM 3689 C CD1 . ILE A 1 217 ? 7.691 11.120 -26.603 1.00 31.06 ? 207 ILE A CD1 1 +ATOM 3690 H H . ILE A 1 217 ? 7.309 12.399 -30.136 1.00 24.34 ? 207 ILE A H 1 +ATOM 3691 H HA . ILE A 1 217 ? 6.597 13.318 -27.823 1.00 22.63 ? 207 ILE A HA 1 +ATOM 3692 H HB . ILE A 1 217 ? 9.238 13.021 -28.801 1.00 26.43 ? 207 ILE A HB 1 +ATOM 3693 H HG12 . ILE A 1 217 ? 7.957 11.042 -28.584 1.00 33.62 ? 207 ILE A HG12 1 +ATOM 3694 H HG13 . ILE A 1 217 ? 9.317 11.028 -27.763 1.00 33.62 ? 207 ILE A HG13 1 +ATOM 3695 H HG21 . ILE A 1 217 ? 9.891 13.112 -26.514 1.00 26.65 ? 207 ILE A HG21 1 +ATOM 3696 H HG22 . ILE A 1 217 ? 9.551 14.498 -27.213 1.00 26.65 ? 207 ILE A HG22 1 +ATOM 3697 H HG23 . ILE A 1 217 ? 8.489 13.812 -26.251 1.00 26.65 ? 207 ILE A HG23 1 +ATOM 3698 H HD11 . ILE A 1 217 ? 7.591 10.158 -26.529 1.00 37.27 ? 207 ILE A HD11 1 +ATOM 3699 H HD12 . ILE A 1 217 ? 8.184 11.462 -25.841 1.00 37.27 ? 207 ILE A HD12 1 +ATOM 3700 H HD13 . ILE A 1 217 ? 6.818 11.541 -26.648 1.00 37.27 ? 207 ILE A HD13 1 +ATOM 3701 N N . ASP A 1 218 ? 7.740 15.539 -29.798 1.00 18.49 ? 208 ASP A N 1 +ATOM 3702 C CA . ASP A 1 218 ? 7.784 16.984 -29.940 1.00 18.79 ? 208 ASP A CA 1 +ATOM 3703 C C . ASP A 1 218 ? 6.399 17.609 -29.778 1.00 17.21 ? 208 ASP A C 1 +ATOM 3704 O O . ASP A 1 218 ? 6.275 18.715 -29.218 1.00 17.07 ? 208 ASP A O 1 +ATOM 3705 C CB . ASP A 1 218 ? 8.322 17.379 -31.336 1.00 20.30 ? 208 ASP A CB 1 +ATOM 3706 C CG . ASP A 1 218 ? 9.781 17.134 -31.495 1.00 31.72 ? 208 ASP A CG 1 +ATOM 3707 O OD1 . ASP A 1 218 ? 10.521 17.373 -30.557 1.00 31.36 ? 208 ASP A OD1 1 +ATOM 3708 O OD2 . ASP A 1 218 ? 10.193 16.743 -32.611 1.00 47.86 ? 208 ASP A OD2 1 +ATOM 3709 H H . ASP A 1 218 ? 7.977 15.087 -30.490 1.00 22.19 ? 208 ASP A H 1 +ATOM 3710 H HA . ASP A 1 218 ? 8.382 17.326 -29.258 1.00 22.55 ? 208 ASP A HA 1 +ATOM 3711 H HB2 . ASP A 1 218 ? 7.857 16.858 -32.010 1.00 24.36 ? 208 ASP A HB2 1 +ATOM 3712 H HB3 . ASP A 1 218 ? 8.161 18.325 -31.479 1.00 24.36 ? 208 ASP A HB3 1 +ATOM 3713 N N . ASP A 1 219 ? 5.351 16.922 -30.217 1.00 15.88 ? 209 ASP A N 1 +ATOM 3714 C CA . ASP A 1 219 ? 4.009 17.430 -30.007 1.00 16.11 ? 209 ASP A CA 1 +ATOM 3715 C C . ASP A 1 219 ? 3.649 17.440 -28.530 1.00 15.88 ? 209 ASP A C 1 +ATOM 3716 O O . ASP A 1 219 ? 3.008 18.377 -28.061 1.00 15.52 ? 209 ASP A O 1 +ATOM 3717 C CB . ASP A 1 219 ? 2.988 16.569 -30.727 1.00 17.01 ? 209 ASP A CB 1 +ATOM 3718 C CG . ASP A 1 219 ? 3.073 16.668 -32.248 1.00 18.02 ? 209 ASP A CG 1 +ATOM 3719 O OD1 . ASP A 1 219 ? 3.235 17.797 -32.796 1.00 18.82 ? 209 ASP A OD1 1 +ATOM 3720 O OD2 . ASP A 1 219 ? 2.942 15.597 -32.893 1.00 20.38 ? 209 ASP A OD2 1 +ATOM 3721 H H . ASP A 1 219 ? 5.391 16.170 -30.632 1.00 19.05 ? 209 ASP A H 1 +ATOM 3722 H HA . ASP A 1 219 ? 3.981 18.331 -30.366 1.00 19.33 ? 209 ASP A HA 1 +ATOM 3723 H HB2 . ASP A 1 219 ? 3.131 15.642 -30.481 1.00 20.41 ? 209 ASP A HB2 1 +ATOM 3724 H HB3 . ASP A 1 219 ? 2.098 16.849 -30.461 1.00 20.41 ? 209 ASP A HB3 1 +ATOM 3725 N N . LEU A 1 220 ? 4.067 16.413 -27.767 1.00 14.86 ? 210 LEU A N 1 +ATOM 3726 C CA . LEU A 1 220 ? 3.791 16.378 -26.327 1.00 14.57 ? 210 LEU A CA 1 +ATOM 3727 C C . LEU A 1 220 ? 4.491 17.523 -25.622 1.00 15.85 ? 210 LEU A C 1 +ATOM 3728 O O . LEU A 1 220 ? 3.938 18.126 -24.712 1.00 15.36 ? 210 LEU A O 1 +ATOM 3729 C CB . LEU A 1 220 ? 4.256 15.056 -25.735 1.00 16.21 ? 210 LEU A CB 1 +ATOM 3730 C CG . LEU A 1 220 ? 3.616 13.771 -26.256 1.00 25.88 ? 210 LEU A CG 1 +ATOM 3731 C CD1 . LEU A 1 220 ? 4.030 12.634 -25.333 1.00 24.90 ? 210 LEU A CD1 1 +ATOM 3732 C CD2 . LEU A 1 220 ? 2.175 13.803 -26.438 1.00 29.39 ? 210 LEU A CD2 1 +ATOM 3733 H H . LEU A 1 220 ? 4.507 15.734 -28.059 1.00 17.83 ? 210 LEU A H 1 +ATOM 3734 H HA . LEU A 1 220 ? 2.834 16.457 -26.190 1.00 17.49 ? 210 LEU A HA 1 +ATOM 3735 H HB2 . LEU A 1 220 ? 5.209 14.979 -25.899 1.00 19.45 ? 210 LEU A HB2 1 +ATOM 3736 H HB3 . LEU A 1 220 ? 4.085 15.084 -24.780 1.00 19.45 ? 210 LEU A HB3 1 +ATOM 3737 H HG . LEU A 1 220 ? 3.941 13.634 -27.159 1.00 31.05 ? 210 LEU A HG 1 +ATOM 3738 H HD11 . LEU A 1 220 ? 3.618 11.812 -25.641 1.00 29.88 ? 210 LEU A HD11 1 +ATOM 3739 H HD12 . LEU A 1 220 ? 4.996 12.548 -25.352 1.00 29.88 ? 210 LEU A HD12 1 +ATOM 3740 H HD13 . LEU A 1 220 ? 3.734 12.835 -24.431 1.00 29.88 ? 210 LEU A HD13 1 +ATOM 3741 H HD21 . LEU A 1 220 ? 1.878 12.937 -26.759 1.00 35.27 ? 210 LEU A HD21 1 +ATOM 3742 H HD22 . LEU A 1 220 ? 1.753 14.003 -25.588 1.00 35.27 ? 210 LEU A HD22 1 +ATOM 3743 H HD23 . LEU A 1 220 ? 1.954 14.489 -27.087 1.00 35.27 ? 210 LEU A HD23 1 +ATOM 3744 N N . VAL A 1 221 ? 5.715 17.857 -26.049 1.00 15.18 ? 211 VAL A N 1 +ATOM 3745 C CA . VAL A 1 221 ? 6.401 19.006 -25.500 1.00 15.63 ? 211 VAL A CA 1 +ATOM 3746 C C . VAL A 1 221 ? 5.625 20.286 -25.784 1.00 15.36 ? 211 VAL A C 1 +ATOM 3747 O O . VAL A 1 221 ? 5.474 21.155 -24.909 1.00 16.51 ? 211 VAL A O 1 +ATOM 3748 C CB . VAL A 1 221 ? 7.838 19.099 -26.046 1.00 18.02 ? 211 VAL A CB 1 +ATOM 3749 C CG1 . VAL A 1 221 ? 8.460 20.404 -25.590 1.00 19.99 ? 211 VAL A CG1 1 +ATOM 3750 C CG2 . VAL A 1 221 ? 8.652 17.896 -25.589 1.00 18.07 ? 211 VAL A CG2 1 +ATOM 3751 H H . VAL A 1 221 ? 6.158 17.431 -26.651 1.00 18.22 ? 211 VAL A H 1 +ATOM 3752 H HA . VAL A 1 221 ? 6.450 18.887 -24.539 1.00 18.75 ? 211 VAL A HA 1 +ATOM 3753 H HB . VAL A 1 221 ? 7.834 19.089 -27.016 1.00 21.62 ? 211 VAL A HB 1 +ATOM 3754 H HG11 . VAL A 1 221 ? 9.426 20.329 -25.640 1.00 23.99 ? 211 VAL A HG11 1 +ATOM 3755 H HG12 . VAL A 1 221 ? 8.153 21.119 -26.169 1.00 23.99 ? 211 VAL A HG12 1 +ATOM 3756 H HG13 . VAL A 1 221 ? 8.189 20.581 -24.675 1.00 23.99 ? 211 VAL A HG13 1 +ATOM 3757 H HG21 . VAL A 1 221 ? 9.558 17.981 -25.926 1.00 21.69 ? 211 VAL A HG21 1 +ATOM 3758 H HG22 . VAL A 1 221 ? 8.661 17.870 -24.619 1.00 21.69 ? 211 VAL A HG22 1 +ATOM 3759 H HG23 . VAL A 1 221 ? 8.244 17.088 -25.938 1.00 21.69 ? 211 VAL A HG23 1 +ATOM 3760 N N . ASP A 1 222 ? 5.091 20.428 -27.008 1.00 15.65 ? 212 ASP A N 1 +ATOM 3761 C CA . ASP A 1 222 ? 4.291 21.593 -27.323 1.00 15.52 ? 212 ASP A CA 1 +ATOM 3762 C C . ASP A 1 222 ? 3.033 21.633 -26.432 1.00 14.99 ? 212 ASP A C 1 +ATOM 3763 O O . ASP A 1 222 ? 2.587 22.733 -26.065 1.00 15.71 ? 212 ASP A O 1 +ATOM 3764 C CB . ASP A 1 222 ? 3.887 21.535 -28.810 1.00 15.72 ? 212 ASP A CB 1 +ATOM 3765 C CG . ASP A 1 222 ? 4.976 21.954 -29.763 1.00 19.01 ? 212 ASP A CG 1 +ATOM 3766 O OD1 . ASP A 1 222 ? 5.881 22.699 -29.347 1.00 21.66 ? 212 ASP A OD1 1 +ATOM 3767 O OD2 . ASP A 1 222 ? 4.874 21.561 -30.959 1.00 19.04 ? 212 ASP A OD2 1 +ATOM 3768 H H . ASP A 1 222 ? 5.183 19.869 -27.655 1.00 18.78 ? 212 ASP A H 1 +ATOM 3769 H HA . ASP A 1 222 ? 4.804 22.402 -27.170 1.00 18.63 ? 212 ASP A HA 1 +ATOM 3770 H HB2 . ASP A 1 222 ? 3.640 20.624 -29.029 1.00 18.86 ? 212 ASP A HB2 1 +ATOM 3771 H HB3 . ASP A 1 222 ? 3.131 22.127 -28.949 1.00 18.86 ? 212 ASP A HB3 1 +ATOM 3772 N N . ASP A 1 223 ? 2.410 20.484 -26.148 1.00 15.39 ? 213 ASP A N 1 +ATOM 3773 C CA . ASP A 1 223 ? 1.277 20.448 -25.201 1.00 14.05 ? 213 ASP A CA 1 +ATOM 3774 C C . ASP A 1 223 ? 1.682 20.997 -23.837 1.00 15.22 ? 213 ASP A C 1 +ATOM 3775 O O . ASP A 1 223 ? 0.980 21.832 -23.271 1.00 15.47 ? 213 ASP A O 1 +ATOM 3776 C CB . ASP A 1 223 ? 0.745 19.030 -25.051 1.00 14.44 ? 213 ASP A CB 1 +ATOM 3777 C CG . ASP A 1 223 ? -0.070 18.544 -26.238 1.00 15.38 ? 213 ASP A CG 1 +ATOM 3778 O OD1 . ASP A 1 223 ? -0.875 19.341 -26.781 1.00 15.21 ? 213 ASP A OD1 1 +ATOM 3779 O OD2 . ASP A 1 223 ? 0.103 17.334 -26.595 1.00 16.66 ? 213 ASP A OD2 1 +ATOM 3780 H H . ASP A 1 223 ? 2.617 19.719 -26.482 1.00 18.47 ? 213 ASP A H 1 +ATOM 3781 H HA . ASP A 1 223 ? 0.567 21.001 -25.563 1.00 16.86 ? 213 ASP A HA 1 +ATOM 3782 H HB2 . ASP A 1 223 ? 1.496 18.426 -24.942 1.00 17.33 ? 213 ASP A HB2 1 +ATOM 3783 H HB3 . ASP A 1 223 ? 0.174 18.994 -24.267 1.00 17.33 ? 213 ASP A HB3 1 +ATOM 3784 N N . LEU A 1 224 ? 2.829 20.544 -23.318 1.00 15.00 ? 214 LEU A N 1 +ATOM 3785 C CA . LEU A 1 224 ? 3.287 21.019 -22.007 1.00 14.61 ? 214 LEU A CA 1 +ATOM 3786 C C . LEU A 1 224 ? 3.508 22.518 -22.036 1.00 16.15 ? 214 LEU A C 1 +ATOM 3787 O O . LEU A 1 224 ? 3.131 23.231 -21.104 1.00 16.08 ? 214 LEU A O 1 +ATOM 3788 C CB . LEU A 1 224 ? 4.570 20.315 -21.589 1.00 16.27 ? 214 LEU A CB 1 +ATOM 3789 C CG . LEU A 1 224 ? 4.415 18.836 -21.284 1.00 15.00 ? 214 LEU A CG 1 +ATOM 3790 C CD1 . LEU A 1 224 ? 5.812 18.257 -21.004 1.00 17.45 ? 214 LEU A CD1 1 +ATOM 3791 C CD2 . LEU A 1 224 ? 3.477 18.615 -20.072 1.00 16.27 ? 214 LEU A CD2 1 +ATOM 3792 H H . LEU A 1 224 ? 3.350 19.974 -23.696 1.00 18.00 ? 214 LEU A H 1 +ATOM 3793 H HA . LEU A 1 224 ? 2.606 20.806 -21.351 1.00 17.54 ? 214 LEU A HA 1 +ATOM 3794 H HB2 . LEU A 1 224 ? 5.215 20.399 -22.308 1.00 19.52 ? 214 LEU A HB2 1 +ATOM 3795 H HB3 . LEU A 1 224 ? 4.909 20.745 -20.787 1.00 19.52 ? 214 LEU A HB3 1 +ATOM 3796 H HG . LEU A 1 224 ? 4.013 18.377 -22.038 1.00 18.01 ? 214 LEU A HG 1 +ATOM 3797 H HD11 . LEU A 1 224 ? 5.727 17.313 -20.796 1.00 20.94 ? 214 LEU A HD11 1 +ATOM 3798 H HD12 . LEU A 1 224 ? 6.366 18.373 -21.792 1.00 20.94 ? 214 LEU A HD12 1 +ATOM 3799 H HD13 . LEU A 1 224 ? 6.204 18.727 -20.252 1.00 20.94 ? 214 LEU A HD13 1 +ATOM 3800 H HD21 . LEU A 1 224 ? 3.501 17.678 -19.822 1.00 19.53 ? 214 LEU A HD21 1 +ATOM 3801 H HD22 . LEU A 1 224 ? 3.783 19.162 -19.332 1.00 19.53 ? 214 LEU A HD22 1 +ATOM 3802 H HD23 . LEU A 1 224 ? 2.575 18.868 -20.320 1.00 19.53 ? 214 LEU A HD23 1 +ATOM 3803 N N . LEU A 1 225 ? 4.166 23.031 -23.080 1.00 15.41 ? 215 LEU A N 1 +ATOM 3804 C CA . LEU A 1 225 ? 4.442 24.456 -23.145 1.00 17.79 ? 215 LEU A CA 1 +ATOM 3805 C C . LEU A 1 225 ? 3.184 25.271 -23.343 1.00 15.83 ? 215 LEU A C 1 +ATOM 3806 O O . LEU A 1 225 ? 3.113 26.406 -22.848 1.00 18.32 ? 215 LEU A O 1 +ATOM 3807 C CB . LEU A 1 225 ? 5.495 24.738 -24.221 1.00 17.91 ? 215 LEU A CB 1 +ATOM 3808 C CG . LEU A 1 225 ? 6.840 24.135 -23.881 1.00 21.55 ? 215 LEU A CG 1 +ATOM 3809 C CD1 . LEU A 1 225 ? 7.767 24.246 -25.090 1.00 28.55 ? 215 LEU A CD1 1 +ATOM 3810 C CD2 . LEU A 1 225 ? 7.406 24.843 -22.665 1.00 27.88 ? 215 LEU A CD2 1 +ATOM 3811 H H . LEU A 1 225 ? 4.457 22.578 -23.751 1.00 18.49 ? 215 LEU A H 1 +ATOM 3812 H HA . LEU A 1 225 ? 4.821 24.746 -22.301 1.00 21.35 ? 215 LEU A HA 1 +ATOM 3813 H HB2 . LEU A 1 225 ? 5.197 24.359 -25.062 1.00 21.50 ? 215 LEU A HB2 1 +ATOM 3814 H HB3 . LEU A 1 225 ? 5.607 25.697 -24.310 1.00 21.50 ? 215 LEU A HB3 1 +ATOM 3815 H HG . LEU A 1 225 ? 6.758 23.192 -23.665 1.00 25.86 ? 215 LEU A HG 1 +ATOM 3816 H HD11 . LEU A 1 225 ? 8.629 23.864 -24.864 1.00 34.26 ? 215 LEU A HD11 1 +ATOM 3817 H HD12 . LEU A 1 225 ? 7.375 23.762 -25.834 1.00 34.26 ? 215 LEU A HD12 1 +ATOM 3818 H HD13 . LEU A 1 225 ? 7.871 25.182 -25.323 1.00 34.26 ? 215 LEU A HD13 1 +ATOM 3819 H HD21 . LEU A 1 225 ? 8.362 24.684 -22.623 1.00 33.45 ? 215 LEU A HD21 1 +ATOM 3820 H HD22 . LEU A 1 225 ? 7.232 25.794 -22.743 1.00 33.45 ? 215 LEU A HD22 1 +ATOM 3821 H HD23 . LEU A 1 225 ? 6.978 24.493 -21.868 1.00 33.45 ? 215 LEU A HD23 1 +ATOM 3822 N N . PHE A 1 226 ? 2.196 24.737 -24.053 1.00 15.59 ? 216 PHE A N 1 +ATOM 3823 C CA . PHE A 1 226 ? 0.900 25.400 -24.185 1.00 16.73 ? 216 PHE A CA 1 +ATOM 3824 C C . PHE A 1 226 ? 0.239 25.532 -22.823 1.00 14.95 ? 216 PHE A C 1 +ATOM 3825 O O . PHE A 1 226 ? -0.302 26.590 -22.470 1.00 17.25 ? 216 PHE A O 1 +ATOM 3826 C CB . PHE A 1 226 ? 0.043 24.604 -25.174 1.00 16.29 ? 216 PHE A CB 1 +ATOM 3827 C CG . PHE A 1 226 ? -1.390 25.040 -25.223 1.00 15.08 ? 216 PHE A CG 1 +ATOM 3828 C CD1 . PHE A 1 226 ? -1.751 26.185 -25.884 1.00 16.88 ? 216 PHE A CD1 1 +ATOM 3829 C CD2 . PHE A 1 226 ? -2.373 24.299 -24.606 1.00 17.78 ? 216 PHE A CD2 1 +ATOM 3830 C CE1 . PHE A 1 226 ? -3.058 26.573 -25.904 1.00 19.06 ? 216 PHE A CE1 1 +ATOM 3831 C CE2 . PHE A 1 226 ? -3.685 24.735 -24.647 1.00 16.46 ? 216 PHE A CE2 1 +ATOM 3832 C CZ . PHE A 1 226 ? -3.997 25.822 -25.326 1.00 17.05 ? 216 PHE A CZ 1 +ATOM 3833 H H . PHE A 1 226 ? 2.247 23.987 -24.471 1.00 18.71 ? 216 PHE A H 1 +ATOM 3834 H HA . PHE A 1 226 ? 1.003 26.297 -24.541 1.00 20.07 ? 216 PHE A HA 1 +ATOM 3835 H HB2 . PHE A 1 226 ? 0.415 24.709 -26.064 1.00 19.55 ? 216 PHE A HB2 1 +ATOM 3836 H HB3 . PHE A 1 226 ? 0.059 23.669 -24.917 1.00 19.55 ? 216 PHE A HB3 1 +ATOM 3837 H HD1 . PHE A 1 226 ? -1.107 26.695 -26.319 1.00 20.25 ? 216 PHE A HD1 1 +ATOM 3838 H HD2 . PHE A 1 226 ? -2.156 23.509 -24.165 1.00 21.33 ? 216 PHE A HD2 1 +ATOM 3839 H HE1 . PHE A 1 226 ? -3.297 27.368 -26.323 1.00 22.88 ? 216 PHE A HE1 1 +ATOM 3840 H HE2 . PHE A 1 226 ? -4.346 24.263 -24.196 1.00 19.75 ? 216 PHE A HE2 1 +ATOM 3841 H HZ . PHE A 1 226 ? -4.890 26.070 -25.404 1.00 20.46 ? 216 PHE A HZ 1 +ATOM 3842 N N . LEU A 1 227 ? 0.254 24.456 -22.062 1.00 14.80 ? 217 LEU A N 1 +ATOM 3843 C CA . LEU A 1 227 ? -0.379 24.471 -20.727 1.00 14.58 ? 217 LEU A CA 1 +ATOM 3844 C C . LEU A 1 227 ? 0.306 25.491 -19.841 1.00 17.19 ? 217 LEU A C 1 +ATOM 3845 O O . LEU A 1 227 ? -0.361 26.266 -19.150 1.00 17.77 ? 217 LEU A O 1 +ATOM 3846 C CB . LEU A 1 227 ? -0.323 23.072 -20.118 1.00 15.88 ? 217 LEU A CB 1 +ATOM 3847 C CG . LEU A 1 227 ? -1.108 22.028 -20.813 1.00 16.17 ? 217 LEU A CG 1 +ATOM 3848 C CD1 . LEU A 1 227 ? -0.757 20.637 -20.385 1.00 21.35 ? 217 LEU A CD1 1 +ATOM 3849 C CD2 . LEU A 1 227 ? -2.610 22.290 -20.735 1.00 15.96 ? 217 LEU A CD2 1 +ATOM 3850 H H . LEU A 1 227 ? 0.616 23.706 -22.278 1.00 17.76 ? 217 LEU A H 1 +ATOM 3851 H HA . LEU A 1 227 ? -1.315 24.715 -20.800 1.00 17.49 ? 217 LEU A HA 1 +ATOM 3852 H HB2 . LEU A 1 227 ? 0.603 22.781 -20.116 1.00 19.05 ? 217 LEU A HB2 1 +ATOM 3853 H HB3 . LEU A 1 227 ? -0.656 23.125 -19.209 1.00 19.05 ? 217 LEU A HB3 1 +ATOM 3854 H HG . LEU A 1 227 ? -0.862 22.079 -21.750 1.00 19.40 ? 217 LEU A HG 1 +ATOM 3855 H HD11 . LEU A 1 227 ? -1.404 20.018 -20.759 1.00 25.63 ? 217 LEU A HD11 1 +ATOM 3856 H HD12 . LEU A 1 227 ? 0.132 20.422 -20.708 1.00 25.63 ? 217 LEU A HD12 1 +ATOM 3857 H HD13 . LEU A 1 227 ? -0.777 20.590 -19.416 1.00 25.63 ? 217 LEU A HD13 1 +ATOM 3858 H HD21 . LEU A 1 227 ? -3.083 21.534 -21.117 1.00 19.15 ? 217 LEU A HD21 1 +ATOM 3859 H HD22 . LEU A 1 227 ? -2.863 22.402 -19.805 1.00 19.15 ? 217 LEU A HD22 1 +ATOM 3860 H HD23 . LEU A 1 227 ? -2.817 23.096 -21.233 1.00 19.15 ? 217 LEU A HD23 1 +ATOM 3861 N N . LYS A 1 228 ? 1.626 25.510 -19.862 1.00 16.40 ? 218 LYS A N 1 +ATOM 3862 C CA . LYS A 1 228 ? 2.392 26.465 -19.065 1.00 19.33 ? 218 LYS A CA 1 +ATOM 3863 C C . LYS A 1 228 ? 2.084 27.894 -19.464 1.00 20.68 ? 218 LYS A C 1 +ATOM 3864 O O . LYS A 1 228 ? 1.922 28.769 -18.599 1.00 21.61 ? 218 LYS A O 1 +ATOM 3865 C CB . LYS A 1 228 ? 3.885 26.137 -19.230 1.00 22.02 ? 218 LYS A CB 1 +ATOM 3866 C CG . LYS A 1 228 ? 4.874 27.049 -18.506 1.00 23.39 ? 218 LYS A CG 1 +ATOM 3867 C CD . LYS A 1 228 ? 4.733 26.957 -17.060 1.00 27.01 ? 218 LYS A CD 1 +ATOM 3868 C CE . LYS A 1 228 ? 5.954 27.565 -16.354 0.85 30.79 ? 218 LYS A CE 1 +ATOM 3869 N NZ . LYS A 1 228 ? 5.612 27.692 -14.936 0.39 18.29 ? 218 LYS A NZ 1 +ATOM 3870 H H . LYS A 1 228 ? 2.112 24.978 -20.331 1.00 19.68 ? 218 LYS A H 1 +ATOM 3871 H HA . LYS A 1 228 ? 2.158 26.387 -18.127 1.00 23.19 ? 218 LYS A HA 1 +ATOM 3872 H HB2 . LYS A 1 228 ? 4.033 25.238 -18.898 1.00 26.42 ? 218 LYS A HB2 1 +ATOM 3873 H HB3 . LYS A 1 228 ? 4.099 26.181 -20.175 1.00 26.42 ? 218 LYS A HB3 1 +ATOM 3874 H HG2 . LYS A 1 228 ? 5.779 26.789 -18.740 1.00 28.07 ? 218 LYS A HG2 1 +ATOM 3875 H HG3 . LYS A 1 228 ? 4.714 27.968 -18.769 1.00 28.07 ? 218 LYS A HG3 1 +ATOM 3876 H HD2 . LYS A 1 228 ? 3.942 27.443 -16.781 1.00 32.42 ? 218 LYS A HD2 1 +ATOM 3877 H HD3 . LYS A 1 228 ? 4.659 26.025 -16.800 1.00 32.42 ? 218 LYS A HD3 1 +ATOM 3878 H HE2 . LYS A 1 228 ? 6.724 26.984 -16.450 0.78 36.95 ? 218 LYS A HE2 1 +ATOM 3879 H HE3 . LYS A 1 228 ? 6.153 28.442 -16.718 0.79 36.95 ? 218 LYS A HE3 1 +ATOM 3880 H HZ1 . LYS A 1 228 ? 6.326 27.515 -14.434 0.36 21.95 ? 218 LYS A HZ1 1 +ATOM 3881 H HZ2 . LYS A 1 228 ? 5.335 28.520 -14.762 0.42 21.95 ? 218 LYS A HZ2 1 +ATOM 3882 H HZ3 . LYS A 1 228 ? 4.963 27.120 -14.727 0.43 21.95 ? 218 LYS A HZ3 1 +ATOM 3883 N N . GLU A 1 229 ? 2.018 28.157 -20.773 1.00 19.05 ? 219 GLU A N 1 +ATOM 3884 C CA . GLU A 1 229 ? 1.783 29.506 -21.276 1.00 20.33 ? 219 GLU A CA 1 +ATOM 3885 C C . GLU A 1 229 ? 0.503 30.100 -20.710 1.00 19.78 ? 219 GLU A C 1 +ATOM 3886 O O . GLU A 1 229 ? 0.461 31.288 -20.374 1.00 22.07 ? 219 GLU A O 1 +ATOM 3887 C CB . GLU A 1 229 ? 1.716 29.458 -22.821 1.00 21.67 ? 219 GLU A CB 1 +ATOM 3888 C CG . GLU A 1 229 ? 1.252 30.773 -23.506 1.00 26.00 ? 219 GLU A CG 1 +ATOM 3889 C CD . GLU A 1 229 ? 1.211 30.683 -25.037 1.00 43.85 ? 219 GLU A CD 1 +ATOM 3890 O OE1 . GLU A 1 229 ? 1.317 29.564 -25.601 1.00 35.10 ? 219 GLU A OE1 1 +ATOM 3891 O OE2 . GLU A 1 229 ? 1.046 31.749 -25.663 1.00 55.70 ? 219 GLU A OE2 1 +ATOM 3892 H H . GLU A 1 229 ? 2.107 27.567 -21.392 1.00 22.86 ? 219 GLU A H 1 +ATOM 3893 H HA . GLU A 1 229 ? 2.516 30.082 -21.006 1.00 24.40 ? 219 GLU A HA 1 +ATOM 3894 H HB2 . GLU A 1 229 ? 2.602 29.252 -23.159 1.00 26.00 ? 219 GLU A HB2 1 +ATOM 3895 H HB3 . GLU A 1 229 ? 1.093 28.761 -23.079 1.00 26.00 ? 219 GLU A HB3 1 +ATOM 3896 H HG2 . GLU A 1 229 ? 0.357 30.988 -23.197 1.00 31.21 ? 219 GLU A HG2 1 +ATOM 3897 H HG3 . GLU A 1 229 ? 1.865 31.485 -23.266 1.00 31.21 ? 219 GLU A HG3 1 +ATOM 3898 N N . HIS A 1 230 ? -0.549 29.301 -20.603 1.00 17.82 ? 220 HIS A N 1 +ATOM 3899 C CA . HIS A 1 230 ? -1.849 29.807 -20.213 1.00 19.87 ? 220 HIS A CA 1 +ATOM 3900 C C . HIS A 1 230 ? -2.186 29.605 -18.745 1.00 19.42 ? 220 HIS A C 1 +ATOM 3901 O O . HIS A 1 230 ? -3.256 30.062 -18.311 1.00 21.77 ? 220 HIS A O 1 +ATOM 3902 C CB . HIS A 1 230 ? -2.916 29.187 -21.100 1.00 21.62 ? 220 HIS A CB 1 +ATOM 3903 C CG . HIS A 1 230 ? -2.751 29.592 -22.529 1.00 22.23 ? 220 HIS A CG 1 +ATOM 3904 N ND1 . HIS A 1 230 ? -3.063 30.862 -23.003 1.00 27.57 ? 220 HIS A ND1 1 +ATOM 3905 C CD2 . HIS A 1 230 ? -2.267 28.908 -23.586 1.00 20.79 ? 220 HIS A CD2 1 +ATOM 3906 C CE1 . HIS A 1 230 ? -2.780 30.921 -24.287 1.00 24.01 ? 220 HIS A CE1 1 +ATOM 3907 N NE2 . HIS A 1 230 ? -2.326 29.746 -24.676 1.00 24.01 ? 220 HIS A NE2 1 +ATOM 3908 H H . HIS A 1 230 ? -0.532 28.454 -20.753 1.00 21.39 ? 220 HIS A H 1 +ATOM 3909 H HA . HIS A 1 230 ? -1.859 30.767 -20.353 1.00 23.85 ? 220 HIS A HA 1 +ATOM 3910 H HB2 . HIS A 1 230 ? -2.854 28.221 -21.048 1.00 25.95 ? 220 HIS A HB2 1 +ATOM 3911 H HB3 . HIS A 1 230 ? -3.791 29.480 -20.800 1.00 25.95 ? 220 HIS A HB3 1 +ATOM 3912 H HD1 . HIS A 1 230 ? -3.388 31.505 -22.533 1.00 33.09 ? 220 HIS A HD1 1 +ATOM 3913 H HD2 . HIS A 1 230 ? -1.952 28.033 -23.579 1.00 24.95 ? 220 HIS A HD2 1 +ATOM 3914 H HE1 . HIS A 1 230 ? -2.884 31.668 -24.830 1.00 28.82 ? 220 HIS A HE1 1 +ATOM 3915 N N . ASP A 1 231 ? -1.341 28.945 -17.996 1.00 17.38 ? 221 ASP A N 1 +ATOM 3916 C CA . ASP A 1 231 ? -1.525 28.868 -16.531 1.00 19.27 ? 221 ASP A CA 1 +ATOM 3917 C C . ASP A 1 231 ? -2.908 28.323 -16.195 1.00 18.64 ? 221 ASP A C 1 +ATOM 3918 O O . ASP A 1 231 ? -3.615 28.878 -15.348 1.00 18.64 ? 221 ASP A O 1 +ATOM 3919 C CB . ASP A 1 231 ? -1.264 30.247 -15.906 1.00 21.99 ? 221 ASP A CB 1 +ATOM 3920 C CG . ASP A 1 231 ? -1.367 30.247 -14.398 1.00 24.55 ? 221 ASP A CG 1 +ATOM 3921 O OD1 . ASP A 1 231 ? -0.956 29.262 -13.784 1.00 23.23 ? 221 ASP A OD1 1 +ATOM 3922 O OD2 . ASP A 1 231 ? -1.797 31.293 -13.835 1.00 29.47 ? 221 ASP A OD2 1 +ATOM 3923 H H . ASP A 1 231 ? -0.650 28.528 -18.292 1.00 20.85 ? 221 ASP A H 1 +ATOM 3924 H HA . ASP A 1 231 ? -0.889 28.247 -16.143 1.00 23.13 ? 221 ASP A HA 1 +ATOM 3925 H HB2 . ASP A 1 231 ? -0.370 30.536 -16.145 1.00 26.39 ? 221 ASP A HB2 1 +ATOM 3926 H HB3 . ASP A 1 231 ? -1.918 30.876 -16.249 1.00 26.39 ? 221 ASP A HB3 1 +ATOM 3927 N N . PHE A 1 232 ? -3.311 27.222 -16.853 1.00 16.90 ? 222 PHE A N 1 +ATOM 3928 C CA . PHE A 1 232 ? -4.659 26.719 -16.665 1.00 15.74 ? 222 PHE A CA 1 +ATOM 3929 C C . PHE A 1 232 ? -4.893 26.294 -15.224 1.00 15.07 ? 222 PHE A C 1 +ATOM 3930 O O . PHE A 1 232 ? -4.029 25.741 -14.547 1.00 16.16 ? 222 PHE A O 1 +ATOM 3931 C CB . PHE A 1 232 ? -4.882 25.509 -17.591 1.00 16.41 ? 222 PHE A CB 1 +ATOM 3932 C CG . PHE A 1 232 ? -5.007 25.902 -19.050 1.00 15.39 ? 222 PHE A CG 1 +ATOM 3933 C CD1 . PHE A 1 232 ? -6.107 26.661 -19.493 1.00 15.06 ? 222 PHE A CD1 1 +ATOM 3934 C CD2 . PHE A 1 232 ? -4.019 25.592 -19.965 1.00 16.37 ? 222 PHE A CD2 1 +ATOM 3935 C CE1 . PHE A 1 232 ? -6.221 27.046 -20.825 1.00 16.53 ? 222 PHE A CE1 1 +ATOM 3936 C CE2 . PHE A 1 232 ? -4.144 25.983 -21.292 1.00 16.07 ? 222 PHE A CE2 1 +ATOM 3937 C CZ . PHE A 1 232 ? -5.189 26.693 -21.707 1.00 17.08 ? 222 PHE A CZ 1 +ATOM 3938 H H . PHE A 1 232 ? -2.826 26.768 -17.399 1.00 20.28 ? 222 PHE A H 1 +ATOM 3939 H HA . PHE A 1 232 ? -5.296 27.418 -16.879 1.00 18.89 ? 222 PHE A HA 1 +ATOM 3940 H HB2 . PHE A 1 232 ? -4.128 24.904 -17.506 1.00 19.69 ? 222 PHE A HB2 1 +ATOM 3941 H HB3 . PHE A 1 232 ? -5.700 25.059 -17.329 1.00 19.69 ? 222 PHE A HB3 1 +ATOM 3942 H HD1 . PHE A 1 232 ? -6.767 26.908 -18.886 1.00 18.07 ? 222 PHE A HD1 1 +ATOM 3943 H HD2 . PHE A 1 232 ? -3.266 25.120 -19.691 1.00 19.64 ? 222 PHE A HD2 1 +ATOM 3944 H HE1 . PHE A 1 232 ? -6.961 27.524 -21.122 1.00 19.84 ? 222 PHE A HE1 1 +ATOM 3945 H HE2 . PHE A 1 232 ? -3.484 25.743 -21.902 1.00 19.28 ? 222 PHE A HE2 1 +ATOM 3946 H HZ . PHE A 1 232 ? -5.236 26.961 -22.597 1.00 20.50 ? 222 PHE A HZ 1 +ATOM 3947 N N . ASP A 1 233 ? -6.114 26.512 -14.803 1.00 14.07 ? 223 ASP A N 1 +ATOM 3948 C CA . ASP A 1 233 ? -6.530 26.137 -13.451 1.00 14.74 ? 223 ASP A CA 1 +ATOM 3949 C C . ASP A 1 233 ? -6.606 24.656 -13.281 1.00 13.82 ? 223 ASP A C 1 +ATOM 3950 O O . ASP A 1 233 ? -6.345 24.141 -12.170 1.00 15.96 ? 223 ASP A O 1 +ATOM 3951 C CB . ASP A 1 233 ? -7.861 26.793 -13.101 1.00 14.56 ? 223 ASP A CB 1 +ATOM 3952 C CG . ASP A 1 233 ? -7.797 28.277 -13.256 1.00 18.10 ? 223 ASP A CG 1 +ATOM 3953 O OD1 . ASP A 1 233 ? -6.960 28.910 -12.558 1.00 18.24 ? 223 ASP A OD1 1 +ATOM 3954 O OD2 . ASP A 1 233 ? -8.504 28.848 -14.127 1.00 19.28 ? 223 ASP A OD2 1 +ATOM 3955 H H . ASP A 1 233 ? -6.735 26.877 -15.273 1.00 16.89 ? 223 ASP A H 1 +ATOM 3956 H HA . ASP A 1 233 ? -5.864 26.468 -12.829 1.00 17.69 ? 223 ASP A HA 1 +ATOM 3957 H HB2 . ASP A 1 233 ? -8.551 26.454 -13.692 1.00 17.47 ? 223 ASP A HB2 1 +ATOM 3958 H HB3 . ASP A 1 233 ? -8.085 26.592 -12.179 1.00 17.47 ? 223 ASP A HB3 1 +ATOM 3959 N N . MET A 1 234 ? -7.010 23.943 -14.329 1.00 13.45 ? 224 MET A N 1 +ATOM 3960 C CA A MET A 1 234 ? -7.125 22.500 -14.307 0.61 14.69 ? 224 MET A CA 1 +ATOM 3961 C CA B MET A 1 234 ? -7.126 22.502 -14.310 0.39 12.71 ? 224 MET A CA 1 +ATOM 3962 C C . MET A 1 234 ? -6.480 21.961 -15.564 1.00 12.55 ? 224 MET A C 1 +ATOM 3963 O O . MET A 1 234 ? -6.535 22.600 -16.636 1.00 13.25 ? 224 MET A O 1 +ATOM 3964 C CB A MET A 1 234 ? -8.580 21.953 -14.247 0.61 18.43 ? 224 MET A CB 1 +ATOM 3965 C CB B MET A 1 234 ? -8.587 22.049 -14.266 0.39 19.07 ? 224 MET A CB 1 +ATOM 3966 C CG A MET A 1 234 ? -9.471 22.598 -13.228 0.61 53.62 ? 224 MET A CG 1 +ATOM 3967 C CG B MET A 1 234 ? -9.343 22.617 -13.116 0.39 12.73 ? 224 MET A CG 1 +ATOM 3968 S SD A MET A 1 234 ? -10.493 23.873 -13.961 0.61 16.31 ? 224 MET A SD 1 +ATOM 3969 S SD B MET A 1 234 ? -11.129 22.466 -13.330 0.39 36.20 ? 224 MET A SD 1 +ATOM 3970 C CE A MET A 1 234 ? -11.834 22.957 -14.771 0.61 14.91 ? 224 MET A CE 1 +ATOM 3971 C CE B MET A 1 234 ? -11.422 23.695 -14.597 0.39 41.23 ? 224 MET A CE 1 +ATOM 3972 H H A MET A 1 234 ? -7.229 24.289 -15.085 0.61 16.14 ? 224 MET A H 1 +ATOM 3973 H H B MET A 1 234 ? -7.229 24.290 -15.085 0.39 16.14 ? 224 MET A H 1 +ATOM 3974 H HA A MET A 1 234 ? -6.686 22.190 -13.500 0.61 17.63 ? 224 MET A HA 1 +ATOM 3975 H HA B MET A 1 234 ? -6.685 22.150 -13.521 0.39 15.25 ? 224 MET A HA 1 +ATOM 3976 H HB2 A MET A 1 234 ? -8.992 22.086 -15.115 0.61 22.11 ? 224 MET A HB2 1 +ATOM 3977 H HB2 B MET A 1 234 ? -9.028 22.331 -15.083 0.39 22.88 ? 224 MET A HB2 1 +ATOM 3978 H HB3 A MET A 1 234 ? -8.541 21.007 -14.039 0.61 22.11 ? 224 MET A HB3 1 +ATOM 3979 H HB3 B MET A 1 234 ? -8.613 21.082 -14.193 0.39 22.88 ? 224 MET A HB3 1 +ATOM 3980 H HG2 A MET A 1 234 ? -10.052 21.926 -12.839 0.61 64.35 ? 224 MET A HG2 1 +ATOM 3981 H HG2 B MET A 1 234 ? -9.094 22.144 -12.306 0.39 15.27 ? 224 MET A HG2 1 +ATOM 3982 H HG3 A MET A 1 234 ? -8.925 23.004 -12.536 0.61 64.35 ? 224 MET A HG3 1 +ATOM 3983 H HG3 B MET A 1 234 ? -9.128 23.559 -13.028 0.39 15.27 ? 224 MET A HG3 1 +ATOM 3984 H HE1 A MET A 1 234 ? -12.436 23.588 -15.197 0.61 17.89 ? 224 MET A HE1 1 +ATOM 3985 H HE1 B MET A 1 234 ? -12.371 23.727 -14.793 0.39 49.47 ? 224 MET A HE1 1 +ATOM 3986 H HE2 A MET A 1 234 ? -11.454 22.363 -15.436 0.61 17.89 ? 224 MET A HE2 1 +ATOM 3987 H HE2 B MET A 1 234 ? -11.121 24.559 -14.275 0.39 49.47 ? 224 MET A HE2 1 +ATOM 3988 H HE3 A MET A 1 234 ? -12.314 22.442 -14.103 0.61 17.89 ? 224 MET A HE3 1 +ATOM 3989 H HE3 B MET A 1 234 ? -10.928 23.449 -15.395 0.39 49.47 ? 224 MET A HE3 1 +ATOM 3990 N N . VAL A 1 235 ? -5.933 20.756 -15.477 1.00 12.33 ? 225 VAL A N 1 +ATOM 3991 C CA . VAL A 1 235 ? -5.377 20.089 -16.647 1.00 12.22 ? 225 VAL A CA 1 +ATOM 3992 C C . VAL A 1 235 ? -5.762 18.628 -16.604 1.00 12.38 ? 225 VAL A C 1 +ATOM 3993 O O . VAL A 1 235 ? -5.327 17.909 -15.688 1.00 13.45 ? 225 VAL A O 1 +ATOM 3994 C CB . VAL A 1 235 ? -3.863 20.205 -16.693 1.00 13.28 ? 225 VAL A CB 1 +ATOM 3995 C CG1 . VAL A 1 235 ? -3.346 19.508 -17.986 1.00 14.18 ? 225 VAL A CG1 1 +ATOM 3996 C CG2 . VAL A 1 235 ? -3.392 21.609 -16.661 1.00 14.96 ? 225 VAL A CG2 1 +ATOM 3997 H H . VAL A 1 235 ? -5.872 20.303 -14.749 1.00 14.79 ? 225 VAL A H 1 +ATOM 3998 H HA . VAL A 1 235 ? -5.761 20.484 -17.446 1.00 14.66 ? 225 VAL A HA 1 +ATOM 3999 H HB . VAL A 1 235 ? -3.503 19.775 -15.901 1.00 15.93 ? 225 VAL A HB 1 +ATOM 4000 H HG11 . VAL A 1 235 ? -2.411 19.733 -18.114 1.00 17.02 ? 225 VAL A HG11 1 +ATOM 4001 H HG12 . VAL A 1 235 ? -3.445 18.548 -17.888 1.00 17.02 ? 225 VAL A HG12 1 +ATOM 4002 H HG13 . VAL A 1 235 ? -3.868 19.819 -18.742 1.00 17.02 ? 225 VAL A HG13 1 +ATOM 4003 H HG21 . VAL A 1 235 ? -2.424 21.619 -16.726 1.00 17.96 ? 225 VAL A HG21 1 +ATOM 4004 H HG22 . VAL A 1 235 ? -3.779 22.089 -17.410 1.00 17.96 ? 225 VAL A HG22 1 +ATOM 4005 H HG23 . VAL A 1 235 ? -3.671 22.017 -15.827 1.00 17.96 ? 225 VAL A HG23 1 +ATOM 4006 N N . GLY A 1 236 ? -6.537 18.175 -17.576 1.00 12.51 ? 226 GLY A N 1 +ATOM 4007 C CA . GLY A 1 236 ? -6.985 16.788 -17.720 1.00 12.35 ? 226 GLY A CA 1 +ATOM 4008 C C . GLY A 1 236 ? -6.183 16.068 -18.795 1.00 12.40 ? 226 GLY A C 1 +ATOM 4009 O O . GLY A 1 236 ? -6.300 16.425 -19.985 1.00 13.17 ? 226 GLY A O 1 +ATOM 4010 H H . GLY A 1 236 ? -6.839 18.676 -18.206 1.00 15.01 ? 226 GLY A H 1 +ATOM 4011 H HA2 . GLY A 1 236 ? -6.871 16.319 -16.879 1.00 14.82 ? 226 GLY A HA2 1 +ATOM 4012 H HA3 . GLY A 1 236 ? -7.923 16.772 -17.967 1.00 14.82 ? 226 GLY A HA3 1 +ATOM 4013 N N . ILE A 1 237 ? -5.394 15.093 -18.403 1.00 12.64 ? 227 ILE A N 1 +ATOM 4014 C CA . ILE A 1 237 ? -4.533 14.337 -19.297 1.00 12.52 ? 227 ILE A CA 1 +ATOM 4015 C C . ILE A 1 237 ? -4.847 12.871 -19.176 1.00 13.47 ? 227 ILE A C 1 +ATOM 4016 O O . ILE A 1 237 ? -5.032 12.339 -18.069 1.00 13.69 ? 227 ILE A O 1 +ATOM 4017 C CB . ILE A 1 237 ? -3.069 14.611 -18.951 1.00 14.42 ? 227 ILE A CB 1 +ATOM 4018 C CG1 . ILE A 1 237 ? -2.674 16.027 -19.382 1.00 20.34 ? 227 ILE A CG1 1 +ATOM 4019 C CG2 . ILE A 1 237 ? -2.149 13.643 -19.613 1.00 17.71 ? 227 ILE A CG2 1 +ATOM 4020 C CD1 . ILE A 1 237 ? -1.311 16.520 -18.803 1.00 23.12 ? 227 ILE A CD1 1 +ATOM 4021 H H . ILE A 1 237 ? -5.334 14.834 -17.585 1.00 15.17 ? 227 ILE A H 1 +ATOM 4022 H HA . ILE A 1 237 ? -4.707 14.588 -20.218 1.00 15.02 ? 227 ILE A HA 1 +ATOM 4023 H HB . ILE A 1 237 ? -2.988 14.516 -17.989 1.00 17.31 ? 227 ILE A HB 1 +ATOM 4024 H HG12 . ILE A 1 237 ? -2.607 16.049 -20.349 1.00 24.41 ? 227 ILE A HG12 1 +ATOM 4025 H HG13 . ILE A 1 237 ? -3.360 16.644 -19.083 1.00 24.41 ? 227 ILE A HG13 1 +ATOM 4026 H HG21 . ILE A 1 237 ? -1.239 13.971 -19.540 1.00 21.26 ? 227 ILE A HG21 1 +ATOM 4027 H HG22 . ILE A 1 237 ? -2.227 12.782 -19.172 1.00 21.26 ? 227 ILE A HG22 1 +ATOM 4028 H HG23 . ILE A 1 237 ? -2.397 13.559 -20.547 1.00 21.26 ? 227 ILE A HG23 1 +ATOM 4029 H HD11 . ILE A 1 237 ? -1.241 17.479 -18.933 1.00 27.75 ? 227 ILE A HD11 1 +ATOM 4030 H HD12 . ILE A 1 237 ? -1.275 16.310 -17.857 1.00 27.75 ? 227 ILE A HD12 1 +ATOM 4031 H HD13 . ILE A 1 237 ? -0.589 16.070 -19.269 1.00 27.75 ? 227 ILE A HD13 1 +ATOM 4032 N N . GLY A 1 238 ? -4.879 12.165 -20.287 1.00 12.73 ? 228 GLY A N 1 +ATOM 4033 C CA . GLY A 1 238 ? -5.031 10.739 -20.271 1.00 12.89 ? 228 GLY A CA 1 +ATOM 4034 C C . GLY A 1 238 ? -4.557 10.167 -21.593 1.00 12.97 ? 228 GLY A C 1 +ATOM 4035 O O . GLY A 1 238 ? -4.248 10.916 -22.543 1.00 13.75 ? 228 GLY A O 1 +ATOM 4036 H H . GLY A 1 238 ? -4.812 12.501 -21.076 1.00 15.27 ? 228 GLY A H 1 +ATOM 4037 H HA2 . GLY A 1 238 ? -4.505 10.356 -19.552 1.00 15.47 ? 228 GLY A HA2 1 +ATOM 4038 H HA3 . GLY A 1 238 ? -5.963 10.506 -20.140 1.00 15.47 ? 228 GLY A HA3 1 +ATOM 4039 N N . PRO A 1 239 ? -4.453 8.864 -21.675 1.00 13.00 ? 229 PRO A N 1 +ATOM 4040 C CA . PRO A 1 239 ? -4.065 8.192 -22.921 1.00 13.13 ? 229 PRO A CA 1 +ATOM 4041 C C . PRO A 1 239 ? -5.226 8.189 -23.886 1.00 13.99 ? 229 PRO A C 1 +ATOM 4042 O O . PRO A 1 239 ? -6.395 8.130 -23.519 1.00 14.19 ? 229 PRO A O 1 +ATOM 4043 C CB . PRO A 1 239 ? -3.762 6.753 -22.464 1.00 15.51 ? 229 PRO A CB 1 +ATOM 4044 C CG . PRO A 1 239 ? -4.757 6.559 -21.306 1.00 14.96 ? 229 PRO A CG 1 +ATOM 4045 C CD . PRO A 1 239 ? -4.712 7.887 -20.590 1.00 13.24 ? 229 PRO A CD 1 +ATOM 4046 H HA . PRO A 1 239 ? -3.273 8.588 -23.316 1.00 15.76 ? 229 PRO A HA 1 +ATOM 4047 H HB2 . PRO A 1 239 ? -3.927 6.125 -23.184 1.00 18.61 ? 229 PRO A HB2 1 +ATOM 4048 H HB3 . PRO A 1 239 ? -2.843 6.678 -22.161 1.00 18.61 ? 229 PRO A HB3 1 +ATOM 4049 H HG2 . PRO A 1 239 ? -5.644 6.372 -21.650 1.00 17.95 ? 229 PRO A HG2 1 +ATOM 4050 H HG3 . PRO A 1 239 ? -4.466 5.836 -20.728 1.00 17.95 ? 229 PRO A HG3 1 +ATOM 4051 H HD2 . PRO A 1 239 ? -5.559 8.072 -20.156 1.00 15.89 ? 229 PRO A HD2 1 +ATOM 4052 H HD3 . PRO A 1 239 ? -3.995 7.901 -19.937 1.00 15.89 ? 229 PRO A HD3 1 +ATOM 4053 N N . PHE A 1 240 ? -4.878 8.238 -25.181 1.00 13.63 ? 230 PHE A N 1 +ATOM 4054 C CA . PHE A 1 240 ? -5.826 7.907 -26.233 1.00 13.73 ? 230 PHE A CA 1 +ATOM 4055 C C . PHE A 1 240 ? -6.125 6.408 -26.157 1.00 13.94 ? 230 PHE A C 1 +ATOM 4056 O O . PHE A 1 240 ? -5.215 5.574 -26.150 1.00 14.75 ? 230 PHE A O 1 +ATOM 4057 C CB . PHE A 1 240 ? -5.205 8.236 -27.597 1.00 13.87 ? 230 PHE A CB 1 +ATOM 4058 C CG . PHE A 1 240 ? -5.924 7.579 -28.764 1.00 14.22 ? 230 PHE A CG 1 +ATOM 4059 C CD1 . PHE A 1 240 ? -7.254 7.842 -29.040 1.00 15.11 ? 230 PHE A CD1 1 +ATOM 4060 C CD2 . PHE A 1 240 ? -5.228 6.740 -29.572 1.00 15.69 ? 230 PHE A CD2 1 +ATOM 4061 C CE1 . PHE A 1 240 ? -7.913 7.210 -30.078 1.00 15.37 ? 230 PHE A CE1 1 +ATOM 4062 C CE2 . PHE A 1 240 ? -5.877 6.098 -30.662 1.00 17.23 ? 230 PHE A CE2 1 +ATOM 4063 C CZ . PHE A 1 240 ? -7.240 6.367 -30.891 1.00 15.77 ? 230 PHE A CZ 1 +ATOM 4064 H H . PHE A 1 240 ? -4.098 8.461 -25.468 1.00 16.35 ? 230 PHE A H 1 +ATOM 4065 H HA . PHE A 1 240 ? -6.647 8.413 -26.131 1.00 16.48 ? 230 PHE A HA 1 +ATOM 4066 H HB2 . PHE A 1 240 ? -5.236 9.196 -27.731 1.00 16.64 ? 230 PHE A HB2 1 +ATOM 4067 H HB3 . PHE A 1 240 ? -4.285 7.929 -27.604 1.00 16.64 ? 230 PHE A HB3 1 +ATOM 4068 H HD1 . PHE A 1 240 ? -7.714 8.458 -28.517 1.00 18.13 ? 230 PHE A HD1 1 +ATOM 4069 H HD2 . PHE A 1 240 ? -4.325 6.584 -29.413 1.00 18.83 ? 230 PHE A HD2 1 +ATOM 4070 H HE1 . PHE A 1 240 ? -8.820 7.364 -30.216 1.00 18.44 ? 230 PHE A HE1 1 +ATOM 4071 H HE2 . PHE A 1 240 ? -5.411 5.513 -31.214 1.00 20.68 ? 230 PHE A HE2 1 +ATOM 4072 H HZ . PHE A 1 240 ? -7.678 5.963 -31.604 1.00 18.93 ? 230 PHE A HZ 1 +ATOM 4073 N N . ILE A 1 241 ? -7.404 6.059 -26.158 1.00 14.47 ? 231 ILE A N 1 +ATOM 4074 C CA . ILE A 1 241 ? -7.813 4.649 -26.151 1.00 14.97 ? 231 ILE A CA 1 +ATOM 4075 C C . ILE A 1 241 ? -8.653 4.370 -27.390 1.00 15.02 ? 231 ILE A C 1 +ATOM 4076 O O . ILE A 1 241 ? -9.773 4.912 -27.505 1.00 15.37 ? 231 ILE A O 1 +ATOM 4077 C CB . ILE A 1 241 ? -8.597 4.307 -24.886 1.00 14.84 ? 231 ILE A CB 1 +ATOM 4078 C CG1 . ILE A 1 241 ? -7.698 4.521 -23.628 1.00 17.49 ? 231 ILE A CG1 1 +ATOM 4079 C CG2 . ILE A 1 241 ? -9.049 2.875 -24.957 1.00 17.57 ? 231 ILE A CG2 1 +ATOM 4080 C CD1 . ILE A 1 241 ? -8.393 4.382 -22.296 1.00 19.43 ? 231 ILE A CD1 1 +ATOM 4081 H H . ILE A 1 241 ? -8.059 6.616 -26.162 1.00 17.36 ? 231 ILE A H 1 +ATOM 4082 H HA . ILE A 1 241 ? -7.017 4.094 -26.184 1.00 17.96 ? 231 ILE A HA 1 +ATOM 4083 H HB . ILE A 1 241 ? -9.370 4.889 -24.820 1.00 17.81 ? 231 ILE A HB 1 +ATOM 4084 H HG12 . ILE A 1 241 ? -6.984 3.865 -23.650 1.00 20.99 ? 231 ILE A HG12 1 +ATOM 4085 H HG13 . ILE A 1 241 ? -7.328 5.416 -23.668 1.00 20.99 ? 231 ILE A HG13 1 +ATOM 4086 H HG21 . ILE A 1 241 ? -9.358 2.597 -24.080 1.00 21.09 ? 231 ILE A HG21 1 +ATOM 4087 H HG22 . ILE A 1 241 ? -9.772 2.803 -25.600 1.00 21.09 ? 231 ILE A HG22 1 +ATOM 4088 H HG23 . ILE A 1 241 ? -8.303 2.321 -25.235 1.00 21.09 ? 231 ILE A HG23 1 +ATOM 4089 H HD11 . ILE A 1 241 ? -7.793 4.682 -21.594 1.00 23.32 ? 231 ILE A HD11 1 +ATOM 4090 H HD12 . ILE A 1 241 ? -9.195 4.928 -22.300 1.00 23.32 ? 231 ILE A HD12 1 +ATOM 4091 H HD13 . ILE A 1 241 ? -8.627 3.451 -22.156 1.00 23.32 ? 231 ILE A HD13 1 +ATOM 4092 N N . PRO A 1 242 ? -8.156 3.593 -28.354 1.00 15.24 ? 232 PRO A N 1 +ATOM 4093 C CA . PRO A 1 242 ? -8.876 3.440 -29.618 1.00 15.24 ? 232 PRO A CA 1 +ATOM 4094 C C . PRO A 1 242 ? -10.233 2.797 -29.394 1.00 18.00 ? 232 PRO A C 1 +ATOM 4095 O O . PRO A 1 242 ? -10.397 1.848 -28.598 1.00 17.30 ? 232 PRO A O 1 +ATOM 4096 C CB . PRO A 1 242 ? -7.983 2.515 -30.454 1.00 17.99 ? 232 PRO A CB 1 +ATOM 4097 C CG . PRO A 1 242 ? -6.614 2.638 -29.852 1.00 20.56 ? 232 PRO A CG 1 +ATOM 4098 C CD . PRO A 1 242 ? -6.808 2.983 -28.393 1.00 16.65 ? 232 PRO A CD 1 +ATOM 4099 H HA . PRO A 1 242 ? -8.965 4.301 -30.056 1.00 18.28 ? 232 PRO A HA 1 +ATOM 4100 H HB2 . PRO A 1 242 ? -8.307 1.603 -30.395 1.00 21.59 ? 232 PRO A HB2 1 +ATOM 4101 H HB3 . PRO A 1 242 ? -7.982 2.807 -31.379 1.00 21.59 ? 232 PRO A HB3 1 +ATOM 4102 H HG2 . PRO A 1 242 ? -6.144 1.794 -29.942 1.00 24.67 ? 232 PRO A HG2 1 +ATOM 4103 H HG3 . PRO A 1 242 ? -6.122 3.340 -30.305 1.00 24.67 ? 232 PRO A HG3 1 +ATOM 4104 H HD2 . PRO A 1 242 ? -6.777 2.184 -27.843 1.00 19.97 ? 232 PRO A HD2 1 +ATOM 4105 H HD3 . PRO A 1 242 ? -6.136 3.616 -28.097 1.00 19.97 ? 232 PRO A HD3 1 +ATOM 4106 N N . HIS A 1 243 ? -11.218 3.288 -30.151 1.00 18.03 ? 233 HIS A N 1 +ATOM 4107 C CA . HIS A 1 243 ? -12.582 2.813 -30.066 1.00 15.88 ? 233 HIS A CA 1 +ATOM 4108 C C . HIS A 1 243 ? -12.948 2.056 -31.334 1.00 19.00 ? 233 HIS A C 1 +ATOM 4109 O O . HIS A 1 243 ? -12.697 2.538 -32.452 1.00 18.08 ? 233 HIS A O 1 +ATOM 4110 C CB . HIS A 1 243 ? -13.514 3.979 -29.882 1.00 16.39 ? 233 HIS A CB 1 +ATOM 4111 C CG . HIS A 1 243 ? -14.917 3.594 -29.603 1.00 16.16 ? 233 HIS A CG 1 +ATOM 4112 N ND1 . HIS A 1 243 ? -15.678 2.871 -30.499 1.00 18.51 ? 233 HIS A ND1 1 +ATOM 4113 C CD2 . HIS A 1 243 ? -15.711 3.870 -28.553 1.00 16.48 ? 233 HIS A CD2 1 +ATOM 4114 C CE1 . HIS A 1 243 ? -16.883 2.703 -29.982 1.00 18.47 ? 233 HIS A CE1 1 +ATOM 4115 N NE2 . HIS A 1 243 ? -16.907 3.270 -28.793 1.00 18.01 ? 233 HIS A NE2 1 +ATOM 4116 H H . HIS A 1 243 ? -11.109 3.912 -30.732 1.00 21.63 ? 233 HIS A H 1 +ATOM 4117 H HA . HIS A 1 243 ? -12.678 2.211 -29.312 1.00 19.06 ? 233 HIS A HA 1 +ATOM 4118 H HB2 . HIS A 1 243 ? -13.200 4.512 -29.134 1.00 19.67 ? 233 HIS A HB2 1 +ATOM 4119 H HB3 . HIS A 1 243 ? -13.510 4.511 -30.693 1.00 19.67 ? 233 HIS A HB3 1 +ATOM 4120 H HD2 . HIS A 1 243 ? -15.484 4.376 -27.806 1.00 19.78 ? 233 HIS A HD2 1 +ATOM 4121 H HE1 . HIS A 1 243 ? -17.593 2.261 -30.389 1.00 22.16 ? 233 HIS A HE1 1 +ATOM 4122 H HE2 . HIS A 1 243 ? -17.575 3.261 -28.251 1.00 21.61 ? 233 HIS A HE2 1 +ATOM 4123 N N . PRO A 1 244 ? -13.495 0.833 -31.243 1.00 18.66 ? 234 PRO A N 1 +ATOM 4124 C CA . PRO A 1 244 ? -13.684 0.000 -32.434 1.00 19.82 ? 234 PRO A CA 1 +ATOM 4125 C C . PRO A 1 244 ? -14.649 0.547 -33.446 1.00 18.70 ? 234 PRO A C 1 +ATOM 4126 O O . PRO A 1 244 ? -14.607 0.108 -34.587 1.00 20.90 ? 234 PRO A O 1 +ATOM 4127 C CB . PRO A 1 244 ? -14.175 -1.326 -31.851 1.00 24.06 ? 234 PRO A CB 1 +ATOM 4128 C CG . PRO A 1 244 ? -14.721 -0.987 -30.510 1.00 27.14 ? 234 PRO A CG 1 +ATOM 4129 C CD . PRO A 1 244 ? -13.855 0.141 -29.988 1.00 18.39 ? 234 PRO A CD 1 +ATOM 4130 H HA . PRO A 1 244 ? -12.828 -0.129 -32.872 1.00 23.78 ? 234 PRO A HA 1 +ATOM 4131 H HB2 . PRO A 1 244 ? -14.865 -1.700 -32.421 1.00 28.88 ? 234 PRO A HB2 1 +ATOM 4132 H HB3 . PRO A 1 244 ? -13.434 -1.947 -31.777 1.00 28.88 ? 234 PRO A HB3 1 +ATOM 4133 H HG2 . PRO A 1 244 ? -15.645 -0.702 -30.594 1.00 32.57 ? 234 PRO A HG2 1 +ATOM 4134 H HG3 . PRO A 1 244 ? -14.665 -1.761 -29.928 1.00 32.57 ? 234 PRO A HG3 1 +ATOM 4135 H HD2 . PRO A 1 244 ? -14.355 0.724 -29.395 1.00 22.07 ? 234 PRO A HD2 1 +ATOM 4136 H HD3 . PRO A 1 244 ? -13.068 -0.199 -29.534 1.00 22.07 ? 234 PRO A HD3 1 +ATOM 4137 N N . ASP A 1 245 ? -15.549 1.440 -33.083 1.00 19.17 ? 235 ASP A N 1 +ATOM 4138 C CA . ASP A 1 245 ? -16.542 1.964 -33.999 1.00 21.21 ? 235 ASP A CA 1 +ATOM 4139 C C . ASP A 1 245 ? -16.154 3.342 -34.487 1.00 20.76 ? 235 ASP A C 1 +ATOM 4140 O O . ASP A 1 245 ? -17.042 4.160 -34.742 1.00 22.47 ? 235 ASP A O 1 +ATOM 4141 C CB . ASP A 1 245 ? -17.913 1.963 -33.341 1.00 21.94 ? 235 ASP A CB 1 +ATOM 4142 C CG . ASP A 1 245 ? -18.372 0.562 -32.955 1.00 24.64 ? 235 ASP A CG 1 +ATOM 4143 O OD1 . ASP A 1 245 ? -18.132 -0.375 -33.757 1.00 31.79 ? 235 ASP A OD1 1 +ATOM 4144 O OD2 . ASP A 1 245 ? -18.962 0.402 -31.892 1.00 29.64 ? 235 ASP A OD2 1 +ATOM 4145 H H . ASP A 1 245 ? -15.606 1.767 -32.289 1.00 23.00 ? 235 ASP A H 1 +ATOM 4146 H HA . ASP A 1 245 ? -16.608 1.389 -34.778 1.00 25.46 ? 235 ASP A HA 1 +ATOM 4147 H HB2 . ASP A 1 245 ? -17.878 2.501 -32.535 1.00 26.33 ? 235 ASP A HB2 1 +ATOM 4148 H HB3 . ASP A 1 245 ? -18.562 2.333 -33.959 1.00 26.33 ? 235 ASP A HB3 1 +ATOM 4149 N N . THR A 1 246 ? -14.858 3.585 -34.649 1.00 18.56 ? 236 THR A N 1 +ATOM 4150 C CA . THR A 1 246 ? -14.325 4.853 -35.125 1.00 17.21 ? 236 THR A CA 1 +ATOM 4151 C C . THR A 1 246 ? -13.248 4.612 -36.156 1.00 17.70 ? 236 THR A C 1 +ATOM 4152 O O . THR A 1 246 ? -12.703 3.498 -36.215 1.00 18.86 ? 236 THR A O 1 +ATOM 4153 C CB . THR A 1 246 ? -13.697 5.685 -34.011 1.00 17.50 ? 236 THR A CB 1 +ATOM 4154 O OG1 . THR A 1 246 ? -12.445 5.081 -33.589 1.00 17.49 ? 236 THR A OG1 1 +ATOM 4155 C CG2 . THR A 1 246 ? -14.633 5.876 -32.819 1.00 16.05 ? 236 THR A CG2 1 +ATOM 4156 H H . THR A 1 246 ? -14.243 3.008 -34.483 1.00 22.27 ? 236 THR A H 1 +ATOM 4157 H HA . THR A 1 246 ? -15.072 5.341 -35.505 1.00 20.65 ? 236 THR A HA 1 +ATOM 4158 H HB . THR A 1 246 ? -13.520 6.574 -34.356 1.00 21.01 ? 236 THR A HB 1 +ATOM 4159 H HG1 . THR A 1 246 ? -12.580 4.294 -33.327 1.00 20.99 ? 236 THR A HG1 1 +ATOM 4160 H HG21 . THR A 1 246 ? -14.192 6.398 -32.131 1.00 19.26 ? 236 THR A HG21 1 +ATOM 4161 H HG22 . THR A 1 246 ? -15.437 6.340 -33.100 1.00 19.26 ? 236 THR A HG22 1 +ATOM 4162 H HG23 . THR A 1 246 ? -14.880 5.013 -32.450 1.00 19.26 ? 236 THR A HG23 1 +ATOM 4163 N N . PRO A 1 247 ? -12.846 5.631 -36.924 1.00 17.76 ? 237 PRO A N 1 +ATOM 4164 C CA . PRO A 1 247 ? -11.785 5.453 -37.897 1.00 18.52 ? 237 PRO A CA 1 +ATOM 4165 C C . PRO A 1 247 ? -10.441 5.123 -37.324 1.00 17.62 ? 237 PRO A C 1 +ATOM 4166 O O . PRO A 1 247 ? -9.593 4.616 -38.052 1.00 18.86 ? 237 PRO A O 1 +ATOM 4167 C CB . PRO A 1 247 ? -11.772 6.789 -38.650 1.00 20.65 ? 237 PRO A CB 1 +ATOM 4168 C CG . PRO A 1 247 ? -13.162 7.373 -38.462 1.00 19.00 ? 237 PRO A CG 1 +ATOM 4169 C CD . PRO A 1 247 ? -13.526 6.943 -37.089 1.00 18.59 ? 237 PRO A CD 1 +ATOM 4170 H HA . PRO A 1 247 ? -12.031 4.740 -38.507 1.00 22.22 ? 237 PRO A HA 1 +ATOM 4171 H HB2 . PRO A 1 247 ? -11.098 7.373 -38.269 1.00 24.78 ? 237 PRO A HB2 1 +ATOM 4172 H HB3 . PRO A 1 247 ? -11.586 6.635 -39.589 1.00 24.78 ? 237 PRO A HB3 1 +ATOM 4173 H HG2 . PRO A 1 247 ? -13.135 8.340 -38.534 1.00 22.79 ? 237 PRO A HG2 1 +ATOM 4174 H HG3 . PRO A 1 247 ? -13.774 7.008 -39.121 1.00 22.79 ? 237 PRO A HG3 1 +ATOM 4175 H HD2 . PRO A 1 247 ? -13.202 7.581 -36.434 1.00 22.30 ? 237 PRO A HD2 1 +ATOM 4176 H HD3 . PRO A 1 247 ? -14.488 6.842 -37.006 1.00 22.30 ? 237 PRO A HD3 1 +ATOM 4177 N N . LEU A 1 248 ? -10.246 5.364 -36.040 1.00 17.12 ? 238 LEU A N 1 +ATOM 4178 C CA . LEU A 1 248 ? -8.978 5.094 -35.366 1.00 16.70 ? 238 LEU A CA 1 +ATOM 4179 C C . LEU A 1 248 ? -8.944 3.743 -34.654 1.00 17.55 ? 238 LEU A C 1 +ATOM 4180 O O . LEU A 1 248 ? -8.006 3.485 -33.860 1.00 17.33 ? 238 LEU A O 1 +ATOM 4181 C CB . LEU A 1 248 ? -8.631 6.225 -34.429 1.00 16.52 ? 238 LEU A CB 1 +ATOM 4182 C CG . LEU A 1 248 ? -8.634 7.625 -35.088 1.00 16.67 ? 238 LEU A CG 1 +ATOM 4183 C CD1 . LEU A 1 248 ? -8.211 8.644 -34.073 1.00 17.58 ? 238 LEU A CD1 1 +ATOM 4184 C CD2 . LEU A 1 248 ? -7.797 7.677 -36.357 1.00 17.65 ? 238 LEU A CD2 1 +ATOM 4185 H H . LEU A 1 248 ? -10.846 5.694 -35.520 1.00 20.55 ? 238 LEU A H 1 +ATOM 4186 H HA . LEU A 1 248 ? -8.278 5.059 -36.037 1.00 20.04 ? 238 LEU A HA 1 +ATOM 4187 H HB2 . LEU A 1 248 ? -9.279 6.238 -33.708 1.00 19.83 ? 238 LEU A HB2 1 +ATOM 4188 H HB3 . LEU A 1 248 ? -7.742 6.069 -34.074 1.00 19.83 ? 238 LEU A HB3 1 +ATOM 4189 H HG . LEU A 1 248 ? -9.533 7.841 -35.382 1.00 20.01 ? 238 LEU A HG 1 +ATOM 4190 H HD11 . LEU A 1 248 ? -8.319 9.530 -34.452 1.00 21.09 ? 238 LEU A HD11 1 +ATOM 4191 H HD12 . LEU A 1 248 ? -8.766 8.551 -33.283 1.00 21.09 ? 238 LEU A HD12 1 +ATOM 4192 H HD13 . LEU A 1 248 ? -7.281 8.493 -33.844 1.00 21.09 ? 238 LEU A HD13 1 +ATOM 4193 H HD21 . LEU A 1 248 ? -7.714 8.600 -36.643 1.00 21.18 ? 238 LEU A HD21 1 +ATOM 4194 H HD22 . LEU A 1 248 ? -6.919 7.308 -36.172 1.00 21.18 ? 238 LEU A HD22 1 +ATOM 4195 H HD23 . LEU A 1 248 ? -8.236 7.155 -37.047 1.00 21.18 ? 238 LEU A HD23 1 +ATOM 4196 N N . ALA A 1 249 ? -9.899 2.868 -34.944 1.00 17.90 ? 239 ALA A N 1 +ATOM 4197 C CA . ALA A 1 249 ? -10.007 1.581 -34.245 1.00 18.72 ? 239 ALA A CA 1 +ATOM 4198 C C . ALA A 1 249 ? -8.712 0.779 -34.179 1.00 18.96 ? 239 ALA A C 1 +ATOM 4199 O O . ALA A 1 249 ? -8.478 0.118 -33.169 1.00 19.36 ? 239 ALA A O 1 +ATOM 4200 C CB . ALA A 1 249 ? -11.066 0.713 -34.959 1.00 21.07 ? 239 ALA A CB 1 +ATOM 4201 H H . ALA A 1 249 ? -10.504 2.989 -35.543 1.00 21.48 ? 239 ALA A H 1 +ATOM 4202 H HA . ALA A 1 249 ? -10.261 1.786 -33.332 1.00 22.47 ? 239 ALA A HA 1 +ATOM 4203 H HB1 . ALA A 1 249 ? -11.122 -0.147 -34.515 1.00 25.29 ? 239 ALA A HB1 1 +ATOM 4204 H HB2 . ALA A 1 249 ? -11.925 1.163 -34.917 1.00 25.29 ? 239 ALA A HB2 1 +ATOM 4205 H HB3 . ALA A 1 249 ? -10.803 0.590 -35.885 1.00 25.29 ? 239 ALA A HB3 1 +ATOM 4206 N N . ASN A 1 250 ? -7.893 0.816 -35.201 1.00 19.63 ? 240 ASN A N 1 +ATOM 4207 C CA . ASN A 1 250 ? -6.754 -0.072 -35.315 1.00 19.81 ? 240 ASN A CA 1 +ATOM 4208 C C . ASN A 1 250 ? -5.443 0.620 -34.967 1.00 18.45 ? 240 ASN A C 1 +ATOM 4209 O O . ASN A 1 250 ? -4.376 0.029 -35.141 1.00 20.87 ? 240 ASN A O 1 +ATOM 4210 C CB . ASN A 1 250 ? -6.724 -0.698 -36.700 1.00 21.13 ? 240 ASN A CB 1 +ATOM 4211 C CG . ASN A 1 250 ? -7.967 -1.496 -36.980 1.00 38.32 ? 240 ASN A CG 1 +ATOM 4212 O OD1 . ASN A 1 250 ? -8.429 -2.262 -36.131 1.00 38.14 ? 240 ASN A OD1 1 +ATOM 4213 N ND2 . ASN A 1 250 ? -8.534 -1.320 -38.167 1.00 45.10 ? 240 ASN A ND2 1 +ATOM 4214 H H . ASN A 1 250 ? -7.974 1.360 -35.862 1.00 23.55 ? 240 ASN A H 1 +ATOM 4215 H HA . ASN A 1 250 ? -6.849 -0.805 -34.687 1.00 23.77 ? 240 ASN A HA 1 +ATOM 4216 H HB2 . ASN A 1 250 ? -6.657 0.004 -37.366 1.00 25.36 ? 240 ASN A HB2 1 +ATOM 4217 H HB3 . ASN A 1 250 ? -5.960 -1.292 -36.766 1.00 25.36 ? 240 ASN A HB3 1 +ATOM 4218 H HD21 . ASN A 1 250 ? -9.247 -1.754 -38.372 1.00 54.12 ? 240 ASN A HD21 1 +ATOM 4219 H HD22 . ASN A 1 250 ? -8.188 -0.770 -38.731 1.00 54.12 ? 240 ASN A HD22 1 +ATOM 4220 N N . GLU A 1 251 ? -5.508 1.844 -34.472 1.00 17.48 ? 241 GLU A N 1 +ATOM 4221 C CA . GLU A 1 251 ? -4.313 2.597 -34.114 1.00 17.72 ? 241 GLU A CA 1 +ATOM 4222 C C . GLU A 1 251 ? -3.775 2.162 -32.745 1.00 16.80 ? 241 GLU A C 1 +ATOM 4223 O O . GLU A 1 251 ? -4.451 1.498 -31.950 1.00 18.35 ? 241 GLU A O 1 +ATOM 4224 C CB . GLU A 1 251 ? -4.607 4.108 -34.149 1.00 17.52 ? 241 GLU A CB 1 +ATOM 4225 C CG . GLU A 1 251 ? -5.101 4.568 -35.531 1.00 20.62 ? 241 GLU A CG 1 +ATOM 4226 C CD . GLU A 1 251 ? -4.025 4.500 -36.567 1.00 30.05 ? 241 GLU A CD 1 +ATOM 4227 O OE1 . GLU A 1 251 ? -2.863 4.825 -36.284 1.00 25.86 ? 241 GLU A OE1 1 +ATOM 4228 O OE2 . GLU A 1 251 ? -4.354 4.143 -37.723 1.00 45.44 ? 241 GLU A OE2 1 +ATOM 4229 H H . GLU A 1 251 ? -6.242 2.270 -34.330 1.00 20.98 ? 241 GLU A H 1 +ATOM 4230 H HA . GLU A 1 251 ? -3.609 2.422 -34.758 1.00 21.26 ? 241 GLU A HA 1 +ATOM 4231 H HB2 . GLU A 1 251 ? -5.294 4.313 -33.496 1.00 21.02 ? 241 GLU A HB2 1 +ATOM 4232 H HB3 . GLU A 1 251 ? -3.794 4.595 -33.939 1.00 21.02 ? 241 GLU A HB3 1 +ATOM 4233 H HG2 . GLU A 1 251 ? -5.831 3.996 -35.815 1.00 24.74 ? 241 GLU A HG2 1 +ATOM 4234 H HG3 . GLU A 1 251 ? -5.405 5.487 -35.471 1.00 24.74 ? 241 GLU A HG3 1 +ATOM 4235 N N . LYS A 1 252 ? -2.524 2.544 -32.488 1.00 16.90 ? 242 LYS A N 1 +ATOM 4236 C CA . LYS A 1 252 ? -1.917 2.232 -31.192 1.00 16.43 ? 242 LYS A CA 1 +ATOM 4237 C C . LYS A 1 252 ? -2.642 2.952 -30.059 1.00 16.79 ? 242 LYS A C 1 +ATOM 4238 O O . LYS A 1 252 ? -3.082 4.098 -30.167 1.00 17.70 ? 242 LYS A O 1 +ATOM 4239 C CB . LYS A 1 252 ? -0.478 2.702 -31.189 1.00 16.72 ? 242 LYS A CB 1 +ATOM 4240 C CG . LYS A 1 252 ? 0.429 1.903 -32.052 1.00 19.69 ? 242 LYS A CG 1 +ATOM 4241 C CD . LYS A 1 252 ? 1.806 2.537 -32.040 1.00 22.35 ? 242 LYS A CD 1 +ATOM 4242 C CE . LYS A 1 252 ? 2.862 1.655 -32.723 1.00 28.53 ? 242 LYS A CE 1 +ATOM 4243 N NZ . LYS A 1 252 ? 4.186 2.361 -32.767 1.00 34.97 ? 242 LYS A NZ 1 +ATOM 4244 H H . LYS A 1 252 ? -2.017 2.975 -33.032 1.00 20.28 ? 242 LYS A H 1 +ATOM 4245 H HA . LYS A 1 252 ? -1.965 1.275 -31.047 1.00 19.71 ? 242 LYS A HA 1 +ATOM 4246 H HB2 . LYS A 1 252 ? -0.450 3.618 -31.505 1.00 20.06 ? 242 LYS A HB2 1 +ATOM 4247 H HB3 . LYS A 1 252 ? -0.138 2.653 -30.282 1.00 20.06 ? 242 LYS A HB3 1 +ATOM 4248 H HG2 . LYS A 1 252 ? 0.496 0.996 -31.712 1.00 23.62 ? 242 LYS A HG2 1 +ATOM 4249 H HG3 . LYS A 1 252 ? 0.094 1.891 -32.962 1.00 23.62 ? 242 LYS A HG3 1 +ATOM 4250 H HD2 . LYS A 1 252 ? 1.770 3.384 -32.511 1.00 26.82 ? 242 LYS A HD2 1 +ATOM 4251 H HD3 . LYS A 1 252 ? 2.082 2.680 -31.121 1.00 26.82 ? 242 LYS A HD3 1 +ATOM 4252 H HE2 . LYS A 1 252 ? 2.968 0.829 -32.225 1.00 34.24 ? 242 LYS A HE2 1 +ATOM 4253 H HE3 . LYS A 1 252 ? 2.585 1.461 -33.632 1.00 34.24 ? 242 LYS A HE3 1 +ATOM 4254 H HZ1 . LYS A 1 252 ? 4.791 1.849 -33.172 1.00 41.96 ? 242 LYS A HZ1 1 +ATOM 4255 H HZ2 . LYS A 1 252 ? 4.109 3.126 -33.216 1.00 41.96 ? 242 LYS A HZ2 1 +ATOM 4256 H HZ3 . LYS A 1 252 ? 4.464 2.538 -31.941 1.00 41.96 ? 242 LYS A HZ3 1 +ATOM 4257 N N . LYS A 1 253 ? -2.772 2.235 -28.945 1.00 16.27 ? 243 LYS A N 1 +ATOM 4258 C CA . LYS A 1 253 ? -3.218 2.835 -27.690 1.00 15.40 ? 243 LYS A CA 1 +ATOM 4259 C C . LYS A 1 253 ? -2.126 3.736 -27.115 1.00 15.11 ? 243 LYS A C 1 +ATOM 4260 O O . LYS A 1 253 ? -0.943 3.455 -27.277 1.00 16.75 ? 243 LYS A O 1 +ATOM 4261 C CB . LYS A 1 253 ? -3.553 1.691 -26.720 1.00 17.63 ? 243 LYS A CB 1 +ATOM 4262 C CG . LYS A 1 253 ? -4.250 2.125 -25.474 1.00 18.90 ? 243 LYS A CG 1 +ATOM 4263 C CD . LYS A 1 253 ? -4.553 0.913 -24.513 1.00 23.80 ? 243 LYS A CD 1 +ATOM 4264 C CE . LYS A 1 253 ? -5.422 -0.088 -25.169 1.00 25.12 ? 243 LYS A CE 1 +ATOM 4265 N NZ . LYS A 1 253 ? -5.796 -1.205 -24.195 1.00 23.31 ? 243 LYS A NZ 1 +ATOM 4266 H H . LYS A 1 253 ? -2.607 1.393 -28.889 1.00 19.53 ? 243 LYS A H 1 +ATOM 4267 H HA . LYS A 1 253 ? -4.005 3.388 -27.816 1.00 18.48 ? 243 LYS A HA 1 +ATOM 4268 H HB2 . LYS A 1 253 ? -4.131 1.059 -27.175 1.00 21.15 ? 243 LYS A HB2 1 +ATOM 4269 H HB3 . LYS A 1 253 ? -2.727 1.256 -26.458 1.00 21.15 ? 243 LYS A HB3 1 +ATOM 4270 H HG2 . LYS A 1 253 ? -3.688 2.756 -24.997 1.00 22.68 ? 243 LYS A HG2 1 +ATOM 4271 H HG3 . LYS A 1 253 ? -5.093 2.544 -25.709 1.00 22.68 ? 243 LYS A HG3 1 +ATOM 4272 H HD2 . LYS A 1 253 ? -3.720 0.481 -24.267 1.00 28.56 ? 243 LYS A HD2 1 +ATOM 4273 H HD3 . LYS A 1 253 ? -5.005 1.237 -23.718 1.00 28.56 ? 243 LYS A HD3 1 +ATOM 4274 H HE2 . LYS A 1 253 ? -6.237 0.341 -25.472 1.00 30.14 ? 243 LYS A HE2 1 +ATOM 4275 H HE3 . LYS A 1 253 ? -4.953 -0.480 -25.922 1.00 30.14 ? 243 LYS A HE3 1 +ATOM 4276 H HZ1 . LYS A 1 253 ? -6.328 -1.794 -24.597 1.00 27.98 ? 243 LYS A HZ1 1 +ATOM 4277 H HZ2 . LYS A 1 253 ? -5.061 -1.623 -23.915 1.00 27.98 ? 243 LYS A HZ2 1 +ATOM 4278 H HZ3 . LYS A 1 253 ? -6.221 -0.866 -23.490 1.00 27.98 ? 243 LYS A HZ3 1 +ATOM 4279 N N . GLY A 1 254 ? -2.512 4.790 -26.427 1.00 15.31 ? 244 GLY A N 1 +ATOM 4280 C CA . GLY A 1 254 ? -1.524 5.622 -25.731 1.00 15.71 ? 244 GLY A CA 1 +ATOM 4281 C C . GLY A 1 254 ? -0.825 4.861 -24.622 1.00 14.49 ? 244 GLY A C 1 +ATOM 4282 O O . GLY A 1 254 ? -1.372 3.906 -24.043 1.00 18.19 ? 244 GLY A O 1 +ATOM 4283 H H . GLY A 1 254 ? -3.327 5.053 -26.343 1.00 18.37 ? 244 GLY A H 1 +ATOM 4284 H HA2 . GLY A 1 254 ? -0.856 5.927 -26.364 1.00 18.85 ? 244 GLY A HA2 1 +ATOM 4285 H HA3 . GLY A 1 254 ? -1.967 6.393 -25.343 1.00 18.85 ? 244 GLY A HA3 1 +ATOM 4286 N N . ASP A 1 255 ? 0.398 5.252 -24.372 1.00 15.17 ? 245 ASP A N 1 +ATOM 4287 C CA . ASP A 1 255 ? 1.233 4.543 -23.409 1.00 14.38 ? 245 ASP A CA 1 +ATOM 4288 C C . ASP A 1 255 ? 1.019 5.103 -22.000 1.00 16.17 ? 245 ASP A C 1 +ATOM 4289 O O . ASP A 1 255 ? 1.125 6.307 -21.769 1.00 15.44 ? 245 ASP A O 1 +ATOM 4290 C CB . ASP A 1 255 ? 2.679 4.727 -23.805 1.00 16.68 ? 245 ASP A CB 1 +ATOM 4291 C CG . ASP A 1 255 ? 3.634 3.930 -22.931 1.00 20.07 ? 245 ASP A CG 1 +ATOM 4292 O OD1 . ASP A 1 255 ? 3.683 2.674 -23.058 1.00 21.65 ? 245 ASP A OD1 1 +ATOM 4293 O OD2 . ASP A 1 255 ? 4.324 4.589 -22.096 1.00 20.45 ? 245 ASP A OD2 1 +ATOM 4294 H H . ASP A 1 255 ? 0.778 5.928 -24.744 1.00 18.20 ? 245 ASP A H 1 +ATOM 4295 H HA . ASP A 1 255 ? 1.000 3.601 -23.395 1.00 17.26 ? 245 ASP A HA 1 +ATOM 4296 H HB2 . ASP A 1 255 ? 2.796 4.433 -24.722 1.00 20.01 ? 245 ASP A HB2 1 +ATOM 4297 H HB3 . ASP A 1 255 ? 2.912 5.665 -23.725 1.00 20.01 ? 245 ASP A HB3 1 +ATOM 4298 N N . PHE A 1 256 ? 0.753 4.218 -21.038 1.00 15.31 ? 246 PHE A N 1 +ATOM 4299 C CA . PHE A 1 256 ? 0.506 4.644 -19.661 1.00 14.17 ? 246 PHE A CA 1 +ATOM 4300 C C . PHE A 1 256 ? 1.694 5.378 -19.055 1.00 14.67 ? 246 PHE A C 1 +ATOM 4301 O O . PHE A 1 256 ? 1.531 6.459 -18.460 1.00 14.50 ? 246 PHE A O 1 +ATOM 4302 C CB . PHE A 1 256 ? 0.120 3.437 -18.816 1.00 15.82 ? 246 PHE A CB 1 +ATOM 4303 C CG . PHE A 1 256 ? -0.117 3.779 -17.373 1.00 15.26 ? 246 PHE A CG 1 +ATOM 4304 C CD1 . PHE A 1 256 ? -1.219 4.459 -17.007 1.00 16.33 ? 246 PHE A CD1 1 +ATOM 4305 C CD2 . PHE A 1 256 ? 0.787 3.434 -16.387 1.00 17.92 ? 246 PHE A CD2 1 +ATOM 4306 C CE1 . PHE A 1 256 ? -1.493 4.733 -15.647 1.00 17.91 ? 246 PHE A CE1 1 +ATOM 4307 C CE2 . PHE A 1 256 ? 0.547 3.681 -15.037 1.00 17.32 ? 246 PHE A CE2 1 +ATOM 4308 C CZ . PHE A 1 256 ? -0.574 4.371 -14.682 1.00 17.21 ? 246 PHE A CZ 1 +ATOM 4309 H H . PHE A 1 256 ? 0.710 3.368 -21.156 1.00 18.37 ? 246 PHE A H 1 +ATOM 4310 H HA . PHE A 1 256 ? -0.234 5.271 -19.664 1.00 17.01 ? 246 PHE A HA 1 +ATOM 4311 H HB2 . PHE A 1 256 ? -0.697 3.053 -19.170 1.00 18.98 ? 246 PHE A HB2 1 +ATOM 4312 H HB3 . PHE A 1 256 ? 0.837 2.784 -18.854 1.00 18.98 ? 246 PHE A HB3 1 +ATOM 4313 H HD1 . PHE A 1 256 ? -1.812 4.754 -17.660 1.00 19.60 ? 246 PHE A HD1 1 +ATOM 4314 H HD2 . PHE A 1 256 ? 1.584 3.022 -16.633 1.00 21.50 ? 246 PHE A HD2 1 +ATOM 4315 H HE1 . PHE A 1 256 ? -2.286 5.154 -15.404 1.00 21.49 ? 246 PHE A HE1 1 +ATOM 4316 H HE2 . PHE A 1 256 ? 1.142 3.381 -14.388 1.00 20.78 ? 246 PHE A HE2 1 +ATOM 4317 H HZ . PHE A 1 256 ? -0.720 4.597 -13.792 1.00 20.65 ? 246 PHE A HZ 1 +ATOM 4318 N N . THR A 1 257 ? 2.889 4.834 -19.183 1.00 15.69 ? 247 THR A N 1 +ATOM 4319 C CA . THR A 1 257 ? 4.035 5.488 -18.551 1.00 14.95 ? 247 THR A CA 1 +ATOM 4320 C C . THR A 1 257 ? 4.276 6.867 -19.123 1.00 15.91 ? 247 THR A C 1 +ATOM 4321 O O . THR A 1 257 ? 4.545 7.821 -18.378 1.00 15.14 ? 247 THR A O 1 +ATOM 4322 C CB . THR A 1 257 ? 5.261 4.599 -18.665 1.00 16.91 ? 247 THR A CB 1 +ATOM 4323 O OG1 . THR A 1 257 ? 4.986 3.369 -17.977 1.00 20.37 ? 247 THR A OG1 1 +ATOM 4324 C CG2 . THR A 1 257 ? 6.480 5.236 -18.010 1.00 20.05 ? 247 THR A CG2 1 +ATOM 4325 H H . THR A 1 257 ? 3.066 4.111 -19.614 1.00 18.83 ? 247 THR A H 1 +ATOM 4326 H HA . THR A 1 257 ? 3.850 5.608 -17.607 1.00 17.94 ? 247 THR A HA 1 +ATOM 4327 H HB . THR A 1 257 ? 5.463 4.452 -19.603 1.00 20.30 ? 247 THR A HB 1 +ATOM 4328 H HG1 . THR A 1 257 ? 4.304 3.003 -18.304 1.00 24.44 ? 247 THR A HG1 1 +ATOM 4329 H HG21 . THR A 1 257 ? 7.206 4.594 -17.965 1.00 24.06 ? 247 THR A HG21 1 +ATOM 4330 H HG22 . THR A 1 257 ? 6.771 6.004 -18.527 1.00 24.06 ? 247 THR A HG22 1 +ATOM 4331 H HG23 . THR A 1 257 ? 6.260 5.527 -17.111 1.00 24.06 ? 247 THR A HG23 1 +ATOM 4332 N N . LEU A 1 258 ? 4.240 6.997 -20.457 1.00 15.00 ? 248 LEU A N 1 +ATOM 4333 C CA . LEU A 1 258 ? 4.396 8.313 -21.073 1.00 14.64 ? 248 LEU A CA 1 +ATOM 4334 C C . LEU A 1 258 ? 3.337 9.274 -20.570 1.00 14.41 ? 248 LEU A C 1 +ATOM 4335 O O . LEU A 1 258 ? 3.629 10.455 -20.309 1.00 14.18 ? 248 LEU A O 1 +ATOM 4336 C CB . LEU A 1 258 ? 4.360 8.147 -22.599 1.00 16.17 ? 248 LEU A CB 1 +ATOM 4337 C CG . LEU A 1 258 ? 4.684 9.407 -23.355 1.00 17.56 ? 248 LEU A CG 1 +ATOM 4338 C CD1 . LEU A 1 258 ? 6.050 9.908 -23.067 1.00 19.07 ? 248 LEU A CD1 1 +ATOM 4339 C CD2 . LEU A 1 258 ? 4.542 9.074 -24.869 1.00 18.55 ? 248 LEU A CD2 1 +ATOM 4340 H H . LEU A 1 258 ? 4.130 6.350 -21.013 1.00 18.00 ? 248 LEU A H 1 +ATOM 4341 H HA . LEU A 1 258 ? 5.253 8.702 -20.839 1.00 17.57 ? 248 LEU A HA 1 +ATOM 4342 H HB2 . LEU A 1 258 ? 5.010 7.473 -22.853 1.00 19.41 ? 248 LEU A HB2 1 +ATOM 4343 H HB3 . LEU A 1 258 ? 3.470 7.864 -22.860 1.00 19.41 ? 248 LEU A HB3 1 +ATOM 4344 H HG . LEU A 1 258 ? 4.081 10.118 -23.089 1.00 21.07 ? 248 LEU A HG 1 +ATOM 4345 H HD11 . LEU A 1 258 ? 6.272 10.605 -23.704 1.00 22.89 ? 248 LEU A HD11 1 +ATOM 4346 H HD12 . LEU A 1 258 ? 6.071 10.265 -22.165 1.00 22.89 ? 248 LEU A HD12 1 +ATOM 4347 H HD13 . LEU A 1 258 ? 6.679 9.174 -23.147 1.00 22.89 ? 248 LEU A HD13 1 +ATOM 4348 H HD21 . LEU A 1 258 ? 4.799 9.852 -25.388 1.00 22.25 ? 248 LEU A HD21 1 +ATOM 4349 H HD22 . LEU A 1 258 ? 5.121 8.326 -25.083 1.00 22.25 ? 248 LEU A HD22 1 +ATOM 4350 H HD23 . LEU A 1 258 ? 3.619 8.842 -25.056 1.00 22.25 ? 248 LEU A HD23 1 +ATOM 4351 N N . THR A 1 259 ? 2.102 8.812 -20.442 1.00 13.96 ? 249 THR A N 1 +ATOM 4352 C CA . THR A 1 259 ? 1.031 9.684 -19.949 1.00 13.04 ? 249 THR A CA 1 +ATOM 4353 C C . THR A 1 259 ? 1.303 10.106 -18.509 1.00 13.95 ? 249 THR A C 1 +ATOM 4354 O O . THR A 1 259 ? 1.063 11.266 -18.131 1.00 14.18 ? 249 THR A O 1 +ATOM 4355 C CB . THR A 1 259 ? -0.342 8.976 -20.088 1.00 13.73 ? 249 THR A CB 1 +ATOM 4356 O OG1 . THR A 1 259 ? -0.531 8.523 -21.444 1.00 15.00 ? 249 THR A OG1 1 +ATOM 4357 C CG2 . THR A 1 259 ? -1.469 9.903 -19.759 1.00 14.37 ? 249 THR A CG2 1 +ATOM 4358 H H . THR A 1 259 ? 1.853 8.010 -20.630 1.00 16.76 ? 249 THR A H 1 +ATOM 4359 H HA . THR A 1 259 ? 0.992 10.487 -20.491 1.00 15.64 ? 249 THR A HA 1 +ATOM 4360 H HB . THR A 1 259 ? -0.356 8.227 -19.473 1.00 16.48 ? 249 THR A HB 1 +ATOM 4361 H HG1 . THR A 1 259 ? 0.049 7.948 -21.639 1.00 18.00 ? 249 THR A HG1 1 +ATOM 4362 H HG21 . THR A 1 259 ? -2.318 9.472 -19.944 1.00 17.25 ? 249 THR A HG21 1 +ATOM 4363 H HG22 . THR A 1 259 ? -1.436 10.145 -18.820 1.00 17.25 ? 249 THR A HG22 1 +ATOM 4364 H HG23 . THR A 1 259 ? -1.402 10.710 -20.294 1.00 17.25 ? 249 THR A HG23 1 +ATOM 4365 N N . LEU A 1 260 ? 1.734 9.169 -17.680 1.00 13.29 ? 250 LEU A N 1 +ATOM 4366 C CA A LEU A 1 260 ? 2.094 9.497 -16.299 0.46 14.02 ? 250 LEU A CA 1 +ATOM 4367 C CA B LEU A 1 260 ? 2.076 9.497 -16.304 0.54 13.26 ? 250 LEU A CA 1 +ATOM 4368 C C . LEU A 1 260 ? 3.189 10.542 -16.251 1.00 13.60 ? 250 LEU A C 1 +ATOM 4369 O O . LEU A 1 260 ? 3.176 11.455 -15.417 1.00 13.82 ? 250 LEU A O 1 +ATOM 4370 C CB A LEU A 1 260 ? 2.632 8.280 -15.556 0.46 16.59 ? 250 LEU A CB 1 +ATOM 4371 C CB B LEU A 1 260 ? 2.458 8.188 -15.628 0.54 14.93 ? 250 LEU A CB 1 +ATOM 4372 C CG A LEU A 1 260 ? 1.723 7.310 -14.880 0.46 14.58 ? 250 LEU A CG 1 +ATOM 4373 C CG B LEU A 1 260 ? 2.600 8.152 -14.155 0.54 13.51 ? 250 LEU A CG 1 +ATOM 4374 C CD1 A LEU A 1 260 ? 2.632 6.372 -14.110 0.46 18.44 ? 250 LEU A CD1 1 +ATOM 4375 C CD1 B LEU A 1 260 ? 1.315 8.519 -13.511 0.54 14.48 ? 250 LEU A CD1 1 +ATOM 4376 C CD2 A LEU A 1 260 ? 0.774 7.976 -13.882 0.46 13.41 ? 250 LEU A CD2 1 +ATOM 4377 C CD2 B LEU A 1 260 ? 3.002 6.735 -13.797 0.54 18.07 ? 250 LEU A CD2 1 +ATOM 4378 H H A LEU A 1 260 ? 1.829 8.339 -17.884 0.46 15.94 ? 250 LEU A H 1 +ATOM 4379 H H B LEU A 1 260 ? 1.837 8.340 -17.885 0.54 15.94 ? 250 LEU A H 1 +ATOM 4380 H HA A LEU A 1 260 ? 1.282 9.813 -15.872 0.46 16.82 ? 250 LEU A HA 1 +ATOM 4381 H HA B LEU A 1 260 ? 1.330 9.889 -15.825 0.54 15.91 ? 250 LEU A HA 1 +ATOM 4382 H HB2 A LEU A 1 260 ? 3.138 7.760 -16.200 0.46 19.91 ? 250 LEU A HB2 1 +ATOM 4383 H HB2 B LEU A 1 260 ? 1.777 7.536 -15.854 0.54 17.92 ? 250 LEU A HB2 1 +ATOM 4384 H HB3 A LEU A 1 260 ? 3.222 8.614 -14.863 0.46 19.91 ? 250 LEU A HB3 1 +ATOM 4385 H HB3 B LEU A 1 260 ? 3.314 7.913 -15.992 0.54 17.92 ? 250 LEU A HB3 1 +ATOM 4386 H HG A LEU A 1 260 ? 1.166 6.865 -15.538 0.46 17.49 ? 250 LEU A HG 1 +ATOM 4387 H HG B LEU A 1 260 ? 3.264 8.783 -13.836 0.54 16.22 ? 250 LEU A HG 1 +ATOM 4388 H HD11 A LEU A 1 260 ? 2.090 5.697 -13.672 0.46 22.12 ? 250 LEU A HD11 1 +ATOM 4389 H HD11 B LEU A 1 260 ? 1.368 8.318 -12.564 0.54 17.38 ? 250 LEU A HD11 1 +ATOM 4390 H HD12 A LEU A 1 260 ? 3.248 5.951 -14.729 0.46 22.12 ? 250 LEU A HD12 1 +ATOM 4391 H HD12 B LEU A 1 260 ? 1.157 9.467 -13.640 0.54 17.38 ? 250 LEU A HD12 1 +ATOM 4392 H HD13 A LEU A 1 260 ? 3.124 6.882 -13.448 0.46 22.12 ? 250 LEU A HD13 1 +ATOM 4393 H HD13 B LEU A 1 260 ? 0.600 8.006 -13.919 0.54 17.38 ? 250 LEU A HD13 1 +ATOM 4394 H HD21 A LEU A 1 260 ? 0.243 7.292 -13.446 0.46 16.09 ? 250 LEU A HD21 1 +ATOM 4395 H HD21 B LEU A 1 260 ? 2.955 6.627 -12.835 0.54 21.69 ? 250 LEU A HD21 1 +ATOM 4396 H HD22 A LEU A 1 260 ? 1.297 8.459 -13.223 0.46 16.09 ? 250 LEU A HD22 1 +ATOM 4397 H HD22 B LEU A 1 260 ? 2.393 6.116 -14.230 0.54 21.69 ? 250 LEU A HD22 1 +ATOM 4398 H HD23 A LEU A 1 260 ? 0.195 8.591 -14.359 0.46 16.09 ? 250 LEU A HD23 1 +ATOM 4399 H HD23 B LEU A 1 260 ? 3.908 6.577 -14.105 0.54 21.69 ? 250 LEU A HD23 1 +ATOM 4400 N N . LYS A 1 261 ? 4.175 10.462 -17.161 1.00 13.56 ? 251 LYS A N 1 +ATOM 4401 C CA . LYS A 1 261 ? 5.223 11.451 -17.199 1.00 14.31 ? 251 LYS A CA 1 +ATOM 4402 C C . LYS A 1 261 ? 4.682 12.817 -17.615 1.00 13.64 ? 251 LYS A C 1 +ATOM 4403 O O . LYS A 1 261 ? 5.168 13.860 -17.144 1.00 15.12 ? 251 LYS A O 1 +ATOM 4404 C CB . LYS A 1 261 ? 6.342 10.959 -18.133 1.00 15.02 ? 251 LYS A CB 1 +ATOM 4405 C CG . LYS A 1 261 ? 7.073 9.762 -17.552 1.00 15.81 ? 251 LYS A CG 1 +ATOM 4406 C CD . LYS A 1 261 ? 8.047 9.120 -18.498 1.00 20.88 ? 251 LYS A CD 1 +ATOM 4407 C CE . LYS A 1 261 ? 9.182 10.024 -18.769 1.00 20.88 ? 251 LYS A CE 1 +ATOM 4408 N NZ . LYS A 1 261 ? 10.314 9.281 -19.448 1.00 19.32 ? 251 LYS A NZ 1 +ATOM 4409 H H . LYS A 1 261 ? 4.247 9.844 -17.755 1.00 16.27 ? 251 LYS A H 1 +ATOM 4410 H HA . LYS A 1 261 ? 5.611 11.565 -16.318 1.00 17.18 ? 251 LYS A HA 1 +ATOM 4411 H HB2 . LYS A 1 261 ? 5.956 10.698 -18.983 1.00 18.03 ? 251 LYS A HB2 1 +ATOM 4412 H HB3 . LYS A 1 261 ? 6.984 11.674 -18.265 1.00 18.03 ? 251 LYS A HB3 1 +ATOM 4413 H HG2 . LYS A 1 261 ? 7.569 10.050 -16.770 1.00 18.98 ? 251 LYS A HG2 1 +ATOM 4414 H HG3 . LYS A 1 261 ? 6.420 9.090 -17.302 1.00 18.98 ? 251 LYS A HG3 1 +ATOM 4415 H HD2 . LYS A 1 261 ? 8.391 8.303 -18.106 1.00 25.06 ? 251 LYS A HD2 1 +ATOM 4416 H HD3 . LYS A 1 261 ? 7.602 8.924 -19.338 1.00 25.06 ? 251 LYS A HD3 1 +ATOM 4417 H HE2 . LYS A 1 261 ? 8.892 10.742 -19.353 1.00 25.06 ? 251 LYS A HE2 1 +ATOM 4418 H HE3 . LYS A 1 261 ? 9.511 10.389 -17.933 1.00 25.06 ? 251 LYS A HE3 1 +ATOM 4419 H HZ1 . LYS A 1 261 ? 10.987 9.839 -19.616 1.00 23.19 ? 251 LYS A HZ1 1 +ATOM 4420 H HZ2 . LYS A 1 261 ? 10.606 8.625 -18.922 1.00 23.19 ? 251 LYS A HZ2 1 +ATOM 4421 H HZ3 . LYS A 1 261 ? 10.031 8.931 -20.216 1.00 23.19 ? 251 LYS A HZ3 1 +ATOM 4422 N N . MET A 1 262 ? 3.683 12.837 -18.483 1.00 13.93 ? 252 MET A N 1 +ATOM 4423 C CA . MET A 1 262 ? 3.015 14.096 -18.825 1.00 13.87 ? 252 MET A CA 1 +ATOM 4424 C C . MET A 1 262 ? 2.304 14.695 -17.617 1.00 14.71 ? 252 MET A C 1 +ATOM 4425 O O . MET A 1 262 ? 2.336 15.924 -17.432 1.00 14.43 ? 252 MET A O 1 +ATOM 4426 C CB . MET A 1 262 ? 2.059 13.849 -20.000 1.00 13.79 ? 252 MET A CB 1 +ATOM 4427 C CG . MET A 1 262 ? 2.760 13.679 -21.330 1.00 14.53 ? 252 MET A CG 1 +ATOM 4428 S SD . MET A 1 262 ? 3.473 15.192 -21.987 1.00 15.00 ? 252 MET A SD 1 +ATOM 4429 C CE . MET A 1 262 ? 2.023 16.098 -22.437 1.00 16.03 ? 252 MET A CE 1 +ATOM 4430 H H . MET A 1 262 ? 3.370 12.146 -18.888 1.00 16.72 ? 252 MET A H 1 +ATOM 4431 H HA . MET A 1 262 ? 3.672 14.747 -19.117 1.00 16.65 ? 252 MET A HA 1 +ATOM 4432 H HB2 . MET A 1 262 ? 1.553 13.040 -19.827 1.00 16.55 ? 252 MET A HB2 1 +ATOM 4433 H HB3 . MET A 1 262 ? 1.457 14.606 -20.078 1.00 16.55 ? 252 MET A HB3 1 +ATOM 4434 H HG2 . MET A 1 262 ? 3.480 13.038 -21.222 1.00 17.43 ? 252 MET A HG2 1 +ATOM 4435 H HG3 . MET A 1 262 ? 2.119 13.351 -21.979 1.00 17.43 ? 252 MET A HG3 1 +ATOM 4436 H HE1 . MET A 1 262 ? 2.288 16.919 -22.880 1.00 19.23 ? 252 MET A HE1 1 +ATOM 4437 H HE2 . MET A 1 262 ? 1.485 15.557 -23.036 1.00 19.23 ? 252 MET A HE2 1 +ATOM 4438 H HE3 . MET A 1 262 ? 1.518 16.304 -21.635 1.00 19.23 ? 252 MET A HE3 1 +ATOM 4439 N N . VAL A 1 263 ? 1.604 13.870 -16.821 1.00 13.26 ? 253 VAL A N 1 +ATOM 4440 C CA . VAL A 1 263 ? 0.985 14.375 -15.580 1.00 13.81 ? 253 VAL A CA 1 +ATOM 4441 C C . VAL A 1 263 ? 2.043 14.928 -14.643 1.00 13.49 ? 253 VAL A C 1 +ATOM 4442 O O . VAL A 1 263 ? 1.894 16.024 -14.087 1.00 13.56 ? 253 VAL A O 1 +ATOM 4443 C CB . VAL A 1 263 ? 0.188 13.242 -14.914 1.00 14.09 ? 253 VAL A CB 1 +ATOM 4444 C CG1 . VAL A 1 263 ? -0.233 13.639 -13.490 1.00 14.35 ? 253 VAL A CG1 1 +ATOM 4445 C CG2 . VAL A 1 263 ? -1.034 12.875 -15.759 1.00 14.68 ? 253 VAL A CG2 1 +ATOM 4446 H H . VAL A 1 263 ? 1.475 13.033 -16.971 1.00 15.91 ? 253 VAL A H 1 +ATOM 4447 H HA . VAL A 1 263 ? 0.380 15.101 -15.799 1.00 16.57 ? 253 VAL A HA 1 +ATOM 4448 H HB . VAL A 1 263 ? 0.755 12.458 -14.850 1.00 16.91 ? 253 VAL A HB 1 +ATOM 4449 H HG11 . VAL A 1 263 ? -0.955 13.059 -13.201 1.00 17.21 ? 253 VAL A HG11 1 +ATOM 4450 H HG12 . VAL A 1 263 ? 0.528 13.541 -12.897 1.00 17.21 ? 253 VAL A HG12 1 +ATOM 4451 H HG13 . VAL A 1 263 ? -0.532 14.562 -13.495 1.00 17.21 ? 253 VAL A HG13 1 +ATOM 4452 H HG21 . VAL A 1 263 ? -1.513 12.152 -15.324 1.00 17.61 ? 253 VAL A HG21 1 +ATOM 4453 H HG22 . VAL A 1 263 ? -1.608 13.652 -15.839 1.00 17.61 ? 253 VAL A HG22 1 +ATOM 4454 H HG23 . VAL A 1 263 ? -0.736 12.592 -16.638 1.00 17.61 ? 253 VAL A HG23 1 +ATOM 4455 N N . ALA A 1 264 ? 3.128 14.189 -14.478 1.00 13.24 ? 254 ALA A N 1 +ATOM 4456 C CA . ALA A 1 264 ? 4.172 14.632 -13.558 1.00 13.89 ? 254 ALA A CA 1 +ATOM 4457 C C . ALA A 1 264 ? 4.764 15.960 -14.026 1.00 14.50 ? 254 ALA A C 1 +ATOM 4458 O O . ALA A 1 264 ? 4.978 16.892 -13.219 1.00 14.29 ? 254 ALA A O 1 +ATOM 4459 C CB . ALA A 1 264 ? 5.255 13.573 -13.458 1.00 15.04 ? 254 ALA A CB 1 +ATOM 4460 H H . ALA A 1 264 ? 3.285 13.442 -14.875 1.00 15.89 ? 254 ALA A H 1 +ATOM 4461 H HA . ALA A 1 264 ? 3.790 14.757 -12.675 1.00 16.67 ? 254 ALA A HA 1 +ATOM 4462 H HB1 . ALA A 1 264 ? 5.940 13.878 -12.843 1.00 18.05 ? 254 ALA A HB1 1 +ATOM 4463 H HB2 . ALA A 1 264 ? 4.861 12.748 -13.132 1.00 18.05 ? 254 ALA A HB2 1 +ATOM 4464 H HB3 . ALA A 1 264 ? 5.639 13.431 -14.338 1.00 18.05 ? 254 ALA A HB3 1 +ATOM 4465 N N . LEU A 1 265 ? 5.112 16.062 -15.325 1.00 14.35 ? 255 LEU A N 1 +ATOM 4466 C CA . LEU A 1 265 ? 5.688 17.313 -15.832 1.00 14.21 ? 255 LEU A CA 1 +ATOM 4467 C C . LEU A 1 265 ? 4.687 18.453 -15.748 1.00 14.12 ? 255 LEU A C 1 +ATOM 4468 O O . LEU A 1 265 ? 5.082 19.588 -15.470 1.00 15.27 ? 255 LEU A O 1 +ATOM 4469 C CB . LEU A 1 265 ? 6.222 17.101 -17.248 1.00 15.48 ? 255 LEU A CB 1 +ATOM 4470 C CG . LEU A 1 265 ? 7.490 16.254 -17.290 1.00 15.30 ? 255 LEU A CG 1 +ATOM 4471 C CD1 . LEU A 1 265 ? 7.711 15.739 -18.719 1.00 17.88 ? 255 LEU A CD1 1 +ATOM 4472 C CD2 . LEU A 1 265 ? 8.697 17.088 -16.824 1.00 16.75 ? 255 LEU A CD2 1 +ATOM 4473 H H . LEU A 1 265 ? 5.026 15.439 -15.911 1.00 17.23 ? 255 LEU A H 1 +ATOM 4474 H HA . LEU A 1 265 ? 6.449 17.574 -15.289 1.00 17.05 ? 255 LEU A HA 1 +ATOM 4475 H HB2 . LEU A 1 265 ? 5.543 16.649 -17.774 1.00 18.57 ? 255 LEU A HB2 1 +ATOM 4476 H HB3 . LEU A 1 265 ? 6.425 17.964 -17.640 1.00 18.57 ? 255 LEU A HB3 1 +ATOM 4477 H HG . LEU A 1 265 ? 7.403 15.494 -16.694 1.00 18.36 ? 255 LEU A HG 1 +ATOM 4478 H HD11 . LEU A 1 265 ? 8.523 15.209 -18.741 1.00 21.45 ? 255 LEU A HD11 1 +ATOM 4479 H HD12 . LEU A 1 265 ? 6.952 15.194 -18.978 1.00 21.45 ? 255 LEU A HD12 1 +ATOM 4480 H HD13 . LEU A 1 265 ? 7.793 16.497 -19.318 1.00 21.45 ? 255 LEU A HD13 1 +ATOM 4481 H HD21 . LEU A 1 265 ? 9.503 16.558 -16.921 1.00 20.10 ? 255 LEU A HD21 1 +ATOM 4482 H HD22 . LEU A 1 265 ? 8.758 17.887 -17.370 1.00 20.10 ? 255 LEU A HD22 1 +ATOM 4483 H HD23 . LEU A 1 265 ? 8.572 17.332 -15.893 1.00 20.10 ? 255 LEU A HD23 1 +ATOM 4484 N N . THR A 1 266 ? 3.412 18.175 -15.922 1.00 14.04 ? 256 THR A N 1 +ATOM 4485 C CA . THR A 1 266 ? 2.374 19.211 -15.770 1.00 13.62 ? 256 THR A CA 1 +ATOM 4486 C C . THR A 1 266 ? 2.366 19.751 -14.346 1.00 14.93 ? 256 THR A C 1 +ATOM 4487 O O . THR A 1 266 ? 2.328 20.959 -14.133 1.00 14.95 ? 256 THR A O 1 +ATOM 4488 C CB . THR A 1 266 ? 0.998 18.698 -16.168 1.00 13.62 ? 256 THR A CB 1 +ATOM 4489 O OG1 . THR A 1 266 ? 1.018 18.419 -17.578 1.00 14.42 ? 256 THR A OG1 1 +ATOM 4490 C CG2 . THR A 1 266 ? -0.050 19.773 -15.984 1.00 15.92 ? 256 THR A CG2 1 +ATOM 4491 H H . THR A 1 266 ? 3.105 17.398 -16.128 1.00 16.85 ? 256 THR A H 1 +ATOM 4492 H HA . THR A 1 266 ? 2.580 19.936 -16.380 1.00 16.34 ? 256 THR A HA 1 +ATOM 4493 H HB . THR A 1 266 ? 0.781 17.921 -15.629 1.00 16.34 ? 256 THR A HB 1 +ATOM 4494 H HG1 . THR A 1 266 ? 1.557 17.796 -17.740 1.00 17.31 ? 256 THR A HG1 1 +ATOM 4495 H HG21 . THR A 1 266 ? -0.883 19.499 -16.400 1.00 19.11 ? 256 THR A HG21 1 +ATOM 4496 H HG22 . THR A 1 266 ? -0.206 19.927 -15.039 1.00 19.11 ? 256 THR A HG22 1 +ATOM 4497 H HG23 . THR A 1 266 ? 0.248 20.601 -16.393 1.00 19.11 ? 256 THR A HG23 1 +ATOM 4498 N N . ARG A 1 267 ? 2.428 18.855 -13.343 1.00 13.97 ? 257 ARG A N 1 +ATOM 4499 C CA . ARG A 1 267 ? 2.498 19.321 -11.961 1.00 13.87 ? 257 ARG A CA 1 +ATOM 4500 C C . ARG A 1 267 ? 3.753 20.138 -11.734 1.00 14.80 ? 257 ARG A C 1 +ATOM 4501 O O . ARG A 1 267 ? 3.712 21.161 -11.035 1.00 15.04 ? 257 ARG A O 1 +ATOM 4502 C CB . ARG A 1 267 ? 2.489 18.120 -11.028 1.00 14.28 ? 257 ARG A CB 1 +ATOM 4503 C CG . ARG A 1 267 ? 2.825 18.442 -9.536 1.00 15.31 ? 257 ARG A CG 1 +ATOM 4504 C CD . ARG A 1 267 ? 1.832 19.429 -8.870 1.00 14.48 ? 257 ARG A CD 1 +ATOM 4505 N NE . ARG A 1 267 ? 0.525 18.827 -8.778 1.00 13.76 ? 257 ARG A NE 1 +ATOM 4506 C CZ . ARG A 1 267 ? -0.638 19.473 -8.787 1.00 13.65 ? 257 ARG A CZ 1 +ATOM 4507 N NH1 . ARG A 1 267 ? -0.639 20.806 -8.699 1.00 14.84 ? 257 ARG A NH1 1 +ATOM 4508 N NH2 . ARG A 1 267 ? -1.791 18.808 -8.821 1.00 13.98 ? 257 ARG A NH2 1 +ATOM 4509 H H . ARG A 1 267 ? 2.431 18.000 -13.440 1.00 16.77 ? 257 ARG A H 1 +ATOM 4510 H HA . ARG A 1 267 ? 1.726 19.876 -11.767 1.00 16.64 ? 257 ARG A HA 1 +ATOM 4511 H HB2 . ARG A 1 267 ? 1.604 17.723 -11.048 1.00 17.14 ? 257 ARG A HB2 1 +ATOM 4512 H HB3 . ARG A 1 267 ? 3.147 17.481 -11.343 1.00 17.14 ? 257 ARG A HB3 1 +ATOM 4513 H HG2 . ARG A 1 267 ? 2.807 17.617 -9.027 1.00 18.37 ? 257 ARG A HG2 1 +ATOM 4514 H HG3 . ARG A 1 267 ? 3.709 18.840 -9.494 1.00 18.37 ? 257 ARG A HG3 1 +ATOM 4515 H HD2 . ARG A 1 267 ? 2.138 19.647 -7.976 1.00 17.38 ? 257 ARG A HD2 1 +ATOM 4516 H HD3 . ARG A 1 267 ? 1.766 20.236 -9.404 1.00 17.38 ? 257 ARG A HD3 1 +ATOM 4517 H HE . ARG A 1 267 ? 0.494 17.970 -8.711 1.00 16.51 ? 257 ARG A HE 1 +ATOM 4518 H HH11 . ARG A 1 267 ? 0.105 21.234 -8.638 1.00 17.81 ? 257 ARG A HH11 1 +ATOM 4519 H HH12 . ARG A 1 267 ? -1.383 21.237 -8.704 1.00 17.81 ? 257 ARG A HH12 1 +ATOM 4520 H HH21 . ARG A 1 267 ? -1.792 17.948 -8.838 1.00 16.78 ? 257 ARG A HH21 1 +ATOM 4521 H HH22 . ARG A 1 267 ? -2.536 19.239 -8.826 1.00 16.78 ? 257 ARG A HH22 1 +ATOM 4522 N N . ILE A 1 268 ? 4.902 19.687 -12.232 1.00 15.13 ? 258 ILE A N 1 +ATOM 4523 C CA . ILE A 1 268 ? 6.131 20.463 -12.053 1.00 16.24 ? 258 ILE A CA 1 +ATOM 4524 C C . ILE A 1 268 ? 5.997 21.854 -12.673 1.00 17.21 ? 258 ILE A C 1 +ATOM 4525 O O . ILE A 1 268 ? 6.405 22.869 -12.077 1.00 17.81 ? 258 ILE A O 1 +ATOM 4526 C CB . ILE A 1 268 ? 7.312 19.658 -12.636 1.00 16.03 ? 258 ILE A CB 1 +ATOM 4527 C CG1 . ILE A 1 268 ? 7.561 18.431 -11.768 1.00 17.52 ? 258 ILE A CG1 1 +ATOM 4528 C CG2 . ILE A 1 268 ? 8.602 20.509 -12.711 1.00 18.79 ? 258 ILE A CG2 1 +ATOM 4529 C CD1 . ILE A 1 268 ? 8.348 17.322 -12.435 1.00 18.43 ? 258 ILE A CD1 1 +ATOM 4530 H H . ILE A 1 268 ? 4.998 18.952 -12.667 1.00 18.15 ? 258 ILE A H 1 +ATOM 4531 H HA . ILE A 1 268 ? 6.294 20.605 -11.108 1.00 19.49 ? 258 ILE A HA 1 +ATOM 4532 H HB . ILE A 1 268 ? 7.076 19.391 -13.538 1.00 19.24 ? 258 ILE A HB 1 +ATOM 4533 H HG12 . ILE A 1 268 ? 8.057 18.707 -10.982 1.00 21.02 ? 258 ILE A HG12 1 +ATOM 4534 H HG13 . ILE A 1 268 ? 6.703 18.061 -11.506 1.00 21.02 ? 258 ILE A HG13 1 +ATOM 4535 H HG21 . ILE A 1 268 ? 9.355 19.926 -12.892 1.00 22.54 ? 258 ILE A HG21 1 +ATOM 4536 H HG22 . ILE A 1 268 ? 8.509 21.161 -13.424 1.00 22.54 ? 258 ILE A HG22 1 +ATOM 4537 H HG23 . ILE A 1 268 ? 8.731 20.963 -11.864 1.00 22.54 ? 258 ILE A HG23 1 +ATOM 4538 H HD11 . ILE A 1 268 ? 8.408 16.568 -11.827 1.00 22.12 ? 258 ILE A HD11 1 +ATOM 4539 H HD12 . ILE A 1 268 ? 7.892 17.056 -13.248 1.00 22.12 ? 258 ILE A HD12 1 +ATOM 4540 H HD13 . ILE A 1 268 ? 9.237 17.648 -12.646 1.00 22.12 ? 258 ILE A HD13 1 +ATOM 4541 N N . LEU A 1 269 ? 5.433 21.932 -13.886 1.00 16.05 ? 259 LEU A N 1 +ATOM 4542 C CA . LEU A 1 269 ? 5.290 23.210 -14.589 1.00 16.32 ? 259 LEU A CA 1 +ATOM 4543 C C . LEU A 1 269 ? 4.254 24.122 -13.943 1.00 17.65 ? 259 LEU A C 1 +ATOM 4544 O O . LEU A 1 269 ? 4.425 25.359 -13.955 1.00 18.64 ? 259 LEU A O 1 +ATOM 4545 C CB . LEU A 1 269 ? 4.925 22.948 -16.040 1.00 17.71 ? 259 LEU A CB 1 +ATOM 4546 C CG . LEU A 1 269 ? 6.033 22.365 -16.923 1.00 17.72 ? 259 LEU A CG 1 +ATOM 4547 C CD1 . LEU A 1 269 ? 5.445 21.846 -18.221 1.00 21.07 ? 259 LEU A CD1 1 +ATOM 4548 C CD2 . LEU A 1 269 ? 7.041 23.408 -17.207 1.00 22.51 ? 259 LEU A CD2 1 +ATOM 4549 H H . LEU A 1 269 ? 5.126 21.258 -14.323 1.00 19.26 ? 259 LEU A H 1 +ATOM 4550 H HA . LEU A 1 269 ? 6.140 23.676 -14.557 1.00 19.58 ? 259 LEU A HA 1 +ATOM 4551 H HB2 . LEU A 1 269 ? 4.186 22.320 -16.057 1.00 21.25 ? 259 LEU A HB2 1 +ATOM 4552 H HB3 . LEU A 1 269 ? 4.654 23.789 -16.440 1.00 21.25 ? 259 LEU A HB3 1 +ATOM 4553 H HG . LEU A 1 269 ? 6.464 21.627 -16.464 1.00 21.27 ? 259 LEU A HG 1 +ATOM 4554 H HD11 . LEU A 1 269 ? 6.160 21.493 -18.773 1.00 25.28 ? 259 LEU A HD11 1 +ATOM 4555 H HD12 . LEU A 1 269 ? 4.806 21.145 -18.020 1.00 25.28 ? 259 LEU A HD12 1 +ATOM 4556 H HD13 . LEU A 1 269 ? 5.002 22.576 -18.681 1.00 25.28 ? 259 LEU A HD13 1 +ATOM 4557 H HD21 . LEU A 1 269 ? 7.708 23.047 -17.812 1.00 27.02 ? 259 LEU A HD21 1 +ATOM 4558 H HD22 . LEU A 1 269 ? 6.601 24.170 -17.616 1.00 27.02 ? 259 LEU A HD22 1 +ATOM 4559 H HD23 . LEU A 1 269 ? 7.460 23.677 -16.374 1.00 27.02 ? 259 LEU A HD23 1 +ATOM 4560 N N . LEU A 1 270 ? 3.195 23.540 -13.377 1.00 16.52 ? 260 LEU A N 1 +ATOM 4561 C CA . LEU A 1 270 ? 2.019 24.280 -12.871 1.00 17.56 ? 260 LEU A CA 1 +ATOM 4562 C C . LEU A 1 270 ? 1.754 23.779 -11.456 1.00 15.42 ? 260 LEU A C 1 +ATOM 4563 O O . LEU A 1 270 ? 0.823 23.030 -11.205 1.00 15.49 ? 260 LEU A O 1 +ATOM 4564 C CB . LEU A 1 270 ? 0.792 24.032 -13.770 1.00 15.52 ? 260 LEU A CB 1 +ATOM 4565 C CG . LEU A 1 270 ? 0.903 24.625 -15.181 1.00 17.50 ? 260 LEU A CG 1 +ATOM 4566 C CD1 . LEU A 1 270 ? -0.326 24.214 -15.980 1.00 20.15 ? 260 LEU A CD1 1 +ATOM 4567 C CD2 . LEU A 1 270 ? 1.095 26.140 -15.168 1.00 20.99 ? 260 LEU A CD2 1 +ATOM 4568 H H . LEU A 1 270 ? 3.125 22.690 -13.267 1.00 19.82 ? 260 LEU A H 1 +ATOM 4569 H HA . LEU A 1 270 ? 2.203 25.233 -12.851 1.00 21.07 ? 260 LEU A HA 1 +ATOM 4570 H HB2 . LEU A 1 270 ? 0.667 23.075 -13.863 1.00 18.62 ? 260 LEU A HB2 1 +ATOM 4571 H HB3 . LEU A 1 270 ? 0.015 24.428 -13.346 1.00 18.62 ? 260 LEU A HB3 1 +ATOM 4572 H HG . LEU A 1 270 ? 1.697 24.275 -15.615 1.00 21.00 ? 260 LEU A HG 1 +ATOM 4573 H HD11 . LEU A 1 270 ? -0.261 24.586 -16.873 1.00 24.18 ? 260 LEU A HD11 1 +ATOM 4574 H HD12 . LEU A 1 270 ? -0.363 23.246 -16.027 1.00 24.18 ? 260 LEU A HD12 1 +ATOM 4575 H HD13 . LEU A 1 270 ? -1.119 24.554 -15.537 1.00 24.18 ? 260 LEU A HD13 1 +ATOM 4576 H HD21 . LEU A 1 270 ? 1.000 26.478 -16.072 1.00 25.19 ? 260 LEU A HD21 1 +ATOM 4577 H HD22 . LEU A 1 270 ? 0.423 26.539 -14.594 1.00 25.19 ? 260 LEU A HD22 1 +ATOM 4578 H HD23 . LEU A 1 270 ? 1.981 26.344 -14.830 1.00 25.19 ? 260 LEU A HD23 1 +ATOM 4579 N N . PRO A 1 271 ? 2.549 24.241 -10.494 1.00 15.88 ? 261 PRO A N 1 +ATOM 4580 C CA . PRO A 1 271 ? 2.541 23.610 -9.162 1.00 16.75 ? 261 PRO A CA 1 +ATOM 4581 C C . PRO A 1 271 ? 1.273 23.665 -8.382 1.00 15.59 ? 261 PRO A C 1 +ATOM 4582 O O . PRO A 1 271 ? 1.025 22.774 -7.554 1.00 16.71 ? 261 PRO A O 1 +ATOM 4583 C CB . PRO A 1 271 ? 3.660 24.344 -8.405 1.00 16.95 ? 261 PRO A CB 1 +ATOM 4584 C CG . PRO A 1 271 ? 4.611 24.736 -9.481 1.00 19.49 ? 261 PRO A CG 1 +ATOM 4585 C CD . PRO A 1 271 ? 3.702 25.144 -10.626 1.00 18.06 ? 261 PRO A CD 1 +ATOM 4586 H HA . PRO A 1 271 ? 2.761 22.676 -9.305 1.00 20.10 ? 261 PRO A HA 1 +ATOM 4587 H HB2 . PRO A 1 271 ? 3.302 25.123 -7.950 1.00 20.34 ? 261 PRO A HB2 1 +ATOM 4588 H HB3 . PRO A 1 271 ? 4.078 23.748 -7.764 1.00 20.34 ? 261 PRO A HB3 1 +ATOM 4589 H HG2 . PRO A 1 271 ? 5.163 25.477 -9.188 1.00 23.39 ? 261 PRO A HG2 1 +ATOM 4590 H HG3 . PRO A 1 271 ? 5.170 23.982 -9.727 1.00 23.39 ? 261 PRO A HG3 1 +ATOM 4591 H HD2 . PRO A 1 271 ? 3.427 26.069 -10.532 1.00 21.67 ? 261 PRO A HD2 1 +ATOM 4592 H HD3 . PRO A 1 271 ? 4.145 25.014 -11.479 1.00 21.67 ? 261 PRO A HD3 1 +ATOM 4593 N N . ASP A 1 272 ? 0.449 24.680 -8.574 1.00 17.36 ? 262 ASP A N 1 +ATOM 4594 C CA . ASP A 1 272 ? -0.782 24.784 -7.796 1.00 17.20 ? 262 ASP A CA 1 +ATOM 4595 C C . ASP A 1 272 ? -2.019 24.507 -8.639 1.00 18.55 ? 262 ASP A C 1 +ATOM 4596 O O . ASP A 1 272 ? -3.138 24.774 -8.223 1.00 16.96 ? 262 ASP A O 1 +ATOM 4597 C CB . ASP A 1 272 ? -0.827 26.066 -6.951 1.00 19.97 ? 262 ASP A CB 1 +ATOM 4598 C CG . ASP A 1 272 ? -0.625 27.299 -7.750 1.00 21.56 ? 262 ASP A CG 1 +ATOM 4599 O OD1 . ASP A 1 272 ? -0.970 27.272 -8.956 1.00 20.83 ? 262 ASP A OD1 1 +ATOM 4600 O OD2 . ASP A 1 272 ? -0.140 28.268 -7.168 1.00 21.98 ? 262 ASP A OD2 1 +ATOM 4601 H H . ASP A 1 272 ? 0.576 25.314 -9.141 1.00 20.83 ? 262 ASP A H 1 +ATOM 4602 H HA . ASP A 1 272 ? -0.792 24.091 -7.117 1.00 20.64 ? 262 ASP A HA 1 +ATOM 4603 H HB2 . ASP A 1 272 ? -1.694 26.129 -6.520 1.00 23.97 ? 262 ASP A HB2 1 +ATOM 4604 H HB3 . ASP A 1 272 ? -0.126 26.027 -6.281 1.00 23.97 ? 262 ASP A HB3 1 +ATOM 4605 N N . SER A 1 273 ? -1.862 23.908 -9.817 1.00 15.44 ? 263 SER A N 1 +ATOM 4606 C CA . SER A 1 273 ? -3.030 23.541 -10.638 1.00 15.24 ? 263 SER A CA 1 +ATOM 4607 C C . SER A 1 273 ? -3.768 22.331 -10.080 1.00 14.61 ? 263 SER A C 1 +ATOM 4608 O O . SER A 1 273 ? -3.241 21.541 -9.285 1.00 15.13 ? 263 SER A O 1 +ATOM 4609 C CB . SER A 1 273 ? -2.596 23.224 -12.068 1.00 15.90 ? 263 SER A CB 1 +ATOM 4610 O OG . SER A 1 273 ? -1.669 22.113 -12.132 1.00 18.77 ? 263 SER A OG 1 +ATOM 4611 H H . SER A 1 273 ? -1.103 23.704 -10.166 1.00 18.52 ? 263 SER A H 1 +ATOM 4612 H HA . SER A 1 273 ? -3.642 24.294 -10.639 1.00 18.29 ? 263 SER A HA 1 +ATOM 4613 H HB2 . SER A 1 273 ? -3.384 22.999 -12.587 1.00 19.08 ? 263 SER A HB2 1 +ATOM 4614 H HB3 . SER A 1 273 ? -2.165 24.009 -12.442 1.00 19.08 ? 263 SER A HB3 1 +ATOM 4615 H HG . SER A 1 273 ? -0.968 22.300 -11.708 1.00 22.53 ? 263 SER A HG 1 +ATOM 4616 N N . ASN A 1 274 ? -5.001 22.185 -10.493 1.00 13.48 ? 264 ASN A N 1 +ATOM 4617 C CA . ASN A 1 274 ? -5.797 21.014 -10.194 1.00 13.35 ? 264 ASN A CA 1 +ATOM 4618 C C . ASN A 1 274 ? -5.662 20.005 -11.318 1.00 13.33 ? 264 ASN A C 1 +ATOM 4619 O O . ASN A 1 274 ? -5.957 20.312 -12.478 1.00 14.59 ? 264 ASN A O 1 +ATOM 4620 C CB . ASN A 1 274 ? -7.253 21.390 -9.955 1.00 13.83 ? 264 ASN A CB 1 +ATOM 4621 C CG . ASN A 1 274 ? -7.478 21.941 -8.583 1.00 14.04 ? 264 ASN A CG 1 +ATOM 4622 O OD1 . ASN A 1 274 ? -6.833 21.520 -7.615 1.00 15.23 ? 264 ASN A OD1 1 +ATOM 4623 N ND2 . ASN A 1 274 ? -8.408 22.881 -8.473 1.00 16.21 ? 264 ASN A ND2 1 +ATOM 4624 H H . ASN A 1 274 ? -5.419 22.769 -10.966 1.00 16.18 ? 264 ASN A H 1 +ATOM 4625 H HA . ASN A 1 274 ? -5.464 20.599 -9.383 1.00 16.02 ? 264 ASN A HA 1 +ATOM 4626 H HB2 . ASN A 1 274 ? -7.517 22.065 -10.599 1.00 16.59 ? 264 ASN A HB2 1 +ATOM 4627 H HB3 . ASN A 1 274 ? -7.807 20.600 -10.057 1.00 16.59 ? 264 ASN A HB3 1 +ATOM 4628 H HD21 . ASN A 1 274 ? -8.576 23.232 -7.705 1.00 19.46 ? 264 ASN A HD21 1 +ATOM 4629 H HD22 . ASN A 1 274 ? -8.842 23.140 -9.168 1.00 19.46 ? 264 ASN A HD22 1 +ATOM 4630 N N . ILE A 1 275 ? -5.185 18.819 -11.030 1.00 12.42 ? 265 ILE A N 1 +ATOM 4631 C CA . ILE A 1 275 ? -4.823 17.802 -12.017 1.00 12.20 ? 265 ILE A CA 1 +ATOM 4632 C C . ILE A 1 275 ? -5.546 16.510 -11.678 1.00 12.56 ? 265 ILE A C 1 +ATOM 4633 O O . ILE A 1 275 ? -5.169 15.833 -10.706 1.00 13.06 ? 265 ILE A O 1 +ATOM 4634 C CB . ILE A 1 275 ? -3.330 17.593 -12.048 1.00 12.96 ? 265 ILE A CB 1 +ATOM 4635 C CG1 . ILE A 1 275 ? -2.592 18.860 -12.410 1.00 14.75 ? 265 ILE A CG1 1 +ATOM 4636 C CG2 . ILE A 1 275 ? -2.972 16.505 -13.067 1.00 15.01 ? 265 ILE A CG2 1 +ATOM 4637 C CD1 . ILE A 1 275 ? -1.072 18.794 -12.379 1.00 15.24 ? 265 ILE A CD1 1 +ATOM 4638 H H . ILE A 1 275 ? -5.048 18.552 -10.225 1.00 14.91 ? 265 ILE A H 1 +ATOM 4639 H HA . ILE A 1 275 ? -5.115 18.092 -12.895 1.00 14.64 ? 265 ILE A HA 1 +ATOM 4640 H HB . ILE A 1 275 ? -3.062 17.324 -11.156 1.00 15.55 ? 265 ILE A HB 1 +ATOM 4641 H HG12 . ILE A 1 275 ? -2.848 19.110 -13.312 1.00 17.70 ? 265 ILE A HG12 1 +ATOM 4642 H HG13 . ILE A 1 275 ? -2.859 19.553 -11.786 1.00 17.70 ? 265 ILE A HG13 1 +ATOM 4643 H HG21 . ILE A 1 275 ? -2.006 16.449 -13.143 1.00 18.01 ? 265 ILE A HG21 1 +ATOM 4644 H HG22 . ILE A 1 275 ? -3.329 15.657 -12.762 1.00 18.01 ? 265 ILE A HG22 1 +ATOM 4645 H HG23 . ILE A 1 275 ? -3.359 16.737 -13.926 1.00 18.01 ? 265 ILE A HG23 1 +ATOM 4646 H HD11 . ILE A 1 275 ? -0.715 19.696 -12.406 1.00 18.28 ? 265 ILE A HD11 1 +ATOM 4647 H HD12 . ILE A 1 275 ? -0.791 18.352 -11.563 1.00 18.28 ? 265 ILE A HD12 1 +ATOM 4648 H HD13 . ILE A 1 275 ? -0.762 18.293 -13.150 1.00 18.28 ? 265 ILE A HD13 1 +ATOM 4649 N N . PRO A 1 276 ? -6.570 16.092 -12.409 1.00 12.30 ? 266 PRO A N 1 +ATOM 4650 C CA . PRO A 1 276 ? -7.219 14.814 -12.132 1.00 13.02 ? 266 PRO A CA 1 +ATOM 4651 C C . PRO A 1 276 ? -6.368 13.626 -12.500 1.00 13.21 ? 266 PRO A C 1 +ATOM 4652 O O . PRO A 1 276 ? -5.577 13.651 -13.441 1.00 13.49 ? 266 PRO A O 1 +ATOM 4653 C CB . PRO A 1 276 ? -8.500 14.838 -12.954 1.00 14.14 ? 266 PRO A CB 1 +ATOM 4654 C CG . PRO A 1 276 ? -8.188 15.795 -14.025 1.00 16.17 ? 266 PRO A CG 1 +ATOM 4655 C CD . PRO A 1 276 ? -7.327 16.894 -13.375 1.00 13.75 ? 266 PRO A CD 1 +ATOM 4656 H HA . PRO A 1 276 ? -7.440 14.774 -11.188 1.00 15.62 ? 266 PRO A HA 1 +ATOM 4657 H HB2 . PRO A 1 276 ? -8.689 13.956 -13.311 1.00 16.96 ? 266 PRO A HB2 1 +ATOM 4658 H HB3 . PRO A 1 276 ? -9.244 15.143 -12.411 1.00 16.96 ? 266 PRO A HB3 1 +ATOM 4659 H HG2 . PRO A 1 276 ? -7.696 15.347 -14.730 1.00 19.41 ? 266 PRO A HG2 1 +ATOM 4660 H HG3 . PRO A 1 276 ? -9.010 16.168 -14.379 1.00 19.41 ? 266 PRO A HG3 1 +ATOM 4661 H HD2 . PRO A 1 276 ? -6.742 17.319 -14.022 1.00 16.50 ? 266 PRO A HD2 1 +ATOM 4662 H HD3 . PRO A 1 276 ? -7.874 17.562 -12.933 1.00 16.50 ? 266 PRO A HD3 1 +ATOM 4663 N N . ALA A 1 277 ? -6.585 12.539 -11.795 1.00 12.69 ? 267 ALA A N 1 +ATOM 4664 C CA . ALA A 1 277 ? -6.215 11.204 -12.226 1.00 11.97 ? 267 ALA A CA 1 +ATOM 4665 C C . ALA A 1 277 ? -7.419 10.720 -13.015 1.00 12.43 ? 267 ALA A C 1 +ATOM 4666 O O . ALA A 1 277 ? -8.467 10.375 -12.440 1.00 13.70 ? 267 ALA A O 1 +ATOM 4667 C CB . ALA A 1 277 ? -5.963 10.325 -10.998 1.00 13.65 ? 267 ALA A CB 1 +ATOM 4668 H H . ALA A 1 277 ? -6.964 12.544 -11.023 1.00 15.23 ? 267 ALA A H 1 +ATOM 4669 H HA . ALA A 1 277 ? -5.415 11.192 -12.774 1.00 14.37 ? 267 ALA A HA 1 +ATOM 4670 H HB1 . ALA A 1 277 ? -5.711 9.436 -11.292 1.00 16.38 ? 267 ALA A HB1 1 +ATOM 4671 H HB2 . ALA A 1 277 ? -5.247 10.715 -10.472 1.00 16.38 ? 267 ALA A HB2 1 +ATOM 4672 H HB3 . ALA A 1 277 ? -6.775 10.281 -10.469 1.00 16.38 ? 267 ALA A HB3 1 +ATOM 4673 N N . THR A 1 278 ? -7.320 10.784 -14.353 1.00 12.91 ? 268 THR A N 1 +ATOM 4674 C CA . THR A 1 278 ? -8.499 10.678 -15.205 1.00 12.95 ? 268 THR A CA 1 +ATOM 4675 C C . THR A 1 278 ? -9.029 9.252 -15.281 1.00 13.14 ? 268 THR A C 1 +ATOM 4676 O O . THR A 1 278 ? -8.330 8.261 -15.088 1.00 13.18 ? 268 THR A O 1 +ATOM 4677 C CB . THR A 1 278 ? -8.230 11.270 -16.591 1.00 13.72 ? 268 THR A CB 1 +ATOM 4678 O OG1 . THR A 1 278 ? -7.208 10.503 -17.195 1.00 14.72 ? 268 THR A OG1 1 +ATOM 4679 C CG2 A THR A 1 278 ? -7.936 12.732 -16.527 1.00 14.33 ? 268 THR A CG2 1 +ATOM 4680 H H . THR A 1 278 ? -6.582 10.888 -14.783 1.00 15.49 ? 268 THR A H 1 +ATOM 4681 H HA . THR A 1 278 ? -9.214 11.202 -14.812 1.00 15.54 ? 268 THR A HA 1 +ATOM 4682 H HB A THR A 1 278 ? -9.017 11.224 -17.157 1.00 16.47 ? 268 THR A HB 1 +ATOM 4683 H HG1 . THR A 1 278 ? -6.983 10.850 -17.926 1.00 17.66 ? 268 THR A HG1 1 +ATOM 4684 H HG21 A THR A 1 278 ? -8.334 13.184 -17.286 1.00 17.19 ? 268 THR A HG21 1 +ATOM 4685 H HG22 A THR A 1 278 ? -8.300 13.108 -15.710 1.00 17.19 ? 268 THR A HG22 1 +ATOM 4686 H HG23 A THR A 1 278 ? -6.977 12.878 -16.540 1.00 17.19 ? 268 THR A HG23 1 +ATOM 4687 N N . THR A 1 279 ? -10.306 9.189 -15.712 1.00 13.77 ? 269 THR A N 1 +ATOM 4688 C CA . THR A 1 279 ? -10.970 7.892 -15.956 1.00 14.71 ? 269 THR A CA 1 +ATOM 4689 C C . THR A 1 279 ? -10.146 7.031 -16.892 1.00 15.36 ? 269 THR A C 1 +ATOM 4690 O O . THR A 1 279 ? -10.026 5.835 -16.695 1.00 15.99 ? 269 THR A O 1 +ATOM 4691 C CB . THR A 1 279 ? -12.325 8.141 -16.621 1.00 16.27 ? 269 THR A CB 1 +ATOM 4692 O OG1 . THR A 1 279 ? -12.985 9.243 -16.025 1.00 16.63 ? 269 THR A OG1 1 +ATOM 4693 C CG2 . THR A 1 279 ? -13.195 6.909 -16.560 1.00 18.38 ? 269 THR A CG2 1 +ATOM 4694 H H . THR A 1 279 ? -10.803 9.874 -15.868 1.00 16.53 ? 269 THR A H 1 +ATOM 4695 H HA . THR A 1 279 ? -11.088 7.436 -15.108 1.00 17.65 ? 269 THR A HA 1 +ATOM 4696 H HB . THR A 1 279 ? -12.176 8.351 -17.557 1.00 19.53 ? 269 THR A HB 1 +ATOM 4697 H HG1 . THR A 1 279 ? -13.782 9.278 -16.290 1.00 19.95 ? 269 THR A HG1 1 +ATOM 4698 H HG21 . THR A 1 279 ? -14.063 7.095 -16.952 1.00 22.05 ? 269 THR A HG21 1 +ATOM 4699 H HG22 . THR A 1 279 ? -12.778 6.183 -17.050 1.00 22.05 ? 269 THR A HG22 1 +ATOM 4700 H HG23 . THR A 1 279 ? -13.319 6.635 -15.638 1.00 22.05 ? 269 THR A HG23 1 +ATOM 4701 N N . ALA A 1 280 ? -9.550 7.633 -17.928 1.00 14.55 ? 270 ALA A N 1 +ATOM 4702 C CA . ALA A 1 280 ? -8.787 6.849 -18.891 1.00 15.65 ? 270 ALA A CA 1 +ATOM 4703 C C . ALA A 1 280 ? -7.552 6.229 -18.275 1.00 16.81 ? 270 ALA A C 1 +ATOM 4704 O O . ALA A 1 280 ? -7.164 5.137 -18.647 1.00 16.53 ? 270 ALA A O 1 +ATOM 4705 C CB . ALA A 1 280 ? -8.468 7.765 -20.079 1.00 15.62 ? 270 ALA A CB 1 +ATOM 4706 H H . ALA A 1 280 ? -9.574 8.477 -18.089 1.00 17.47 ? 270 ALA A H 1 +ATOM 4707 H HA . ALA A 1 280 ? -9.306 6.097 -19.217 1.00 18.78 ? 270 ALA A HA 1 +ATOM 4708 H HB1 . ALA A 1 280 ? -7.966 7.262 -20.740 1.00 18.74 ? 270 ALA A HB1 1 +ATOM 4709 H HB2 . ALA A 1 280 ? -9.299 8.082 -20.466 1.00 18.74 ? 270 ALA A HB2 1 +ATOM 4710 H HB3 . ALA A 1 280 ? -7.941 8.517 -19.766 1.00 18.74 ? 270 ALA A HB3 1 +ATOM 4711 N N . MET A 1 281 ? -6.944 6.887 -17.290 1.00 15.76 ? 271 MET A N 1 +ATOM 4712 C CA . MET A 1 281 ? -5.834 6.261 -16.569 1.00 15.39 ? 271 MET A CA 1 +ATOM 4713 C C . MET A 1 281 ? -6.272 5.049 -15.769 1.00 15.97 ? 271 MET A C 1 +ATOM 4714 O O . MET A 1 281 ? -5.547 4.048 -15.692 1.00 18.64 ? 271 MET A O 1 +ATOM 4715 C CB . MET A 1 281 ? -5.153 7.280 -15.638 1.00 15.63 ? 271 MET A CB 1 +ATOM 4716 C CG . MET A 1 281 ? -4.448 8.412 -16.331 1.00 17.55 ? 271 MET A CG 1 +ATOM 4717 S SD . MET A 1 281 ? -3.069 7.807 -17.359 1.00 16.67 ? 271 MET A SD 1 +ATOM 4718 C CE . MET A 1 281 ? -1.645 8.216 -16.337 1.00 16.30 ? 271 MET A CE 1 +ATOM 4719 H H . MET A 1 281 ? -7.149 7.679 -17.024 1.00 18.91 ? 271 MET A H 1 +ATOM 4720 H HA . MET A 1 281 ? -5.189 5.974 -17.234 1.00 18.47 ? 271 MET A HA 1 +ATOM 4721 H HB2 . MET A 1 281 ? -5.831 7.670 -15.063 1.00 18.75 ? 271 MET A HB2 1 +ATOM 4722 H HB3 . MET A 1 281 ? -4.493 6.813 -15.103 1.00 18.75 ? 271 MET A HB3 1 +ATOM 4723 H HG2 . MET A 1 281 ? -5.076 8.878 -16.905 1.00 21.07 ? 271 MET A HG2 1 +ATOM 4724 H HG3 . MET A 1 281 ? -4.090 9.022 -15.667 1.00 21.07 ? 271 MET A HG3 1 +ATOM 4725 H HE1 . MET A 1 281 ? -0.838 7.918 -16.785 1.00 19.56 ? 271 MET A HE1 1 +ATOM 4726 H HE2 . MET A 1 281 ? -1.616 9.176 -16.206 1.00 19.56 ? 271 MET A HE2 1 +ATOM 4727 H HE3 . MET A 1 281 ? -1.733 7.768 -15.480 1.00 19.56 ? 271 MET A HE3 1 +ATOM 4728 N N . GLY A 1 282 ? -7.483 5.109 -15.224 1.00 16.45 ? 272 GLY A N 1 +ATOM 4729 C CA . GLY A 1 282 ? -8.024 3.945 -14.527 1.00 17.01 ? 272 GLY A CA 1 +ATOM 4730 C C . GLY A 1 282 ? -8.476 2.835 -15.436 1.00 18.40 ? 272 GLY A C 1 +ATOM 4731 O O . GLY A 1 282 ? -8.555 1.675 -15.030 1.00 20.56 ? 272 GLY A O 1 +ATOM 4732 H H . GLY A 1 282 ? -8.001 5.795 -15.242 1.00 19.75 ? 272 GLY A H 1 +ATOM 4733 H HA2 . GLY A 1 282 ? -7.342 3.588 -13.937 1.00 20.41 ? 272 GLY A HA2 1 +ATOM 4734 H HA3 . GLY A 1 282 ? -8.787 4.224 -13.996 1.00 20.41 ? 272 GLY A HA3 1 +ATOM 4735 N N . THR A 1 283 ? -8.795 3.183 -16.676 1.00 17.17 ? 273 THR A N 1 +ATOM 4736 C CA . THR A 1 283 ? -9.219 2.190 -17.660 1.00 16.82 ? 273 THR A CA 1 +ATOM 4737 C C . THR A 1 283 ? -8.025 1.422 -18.183 1.00 19.02 ? 273 THR A C 1 +ATOM 4738 O O . THR A 1 283 ? -8.078 0.201 -18.341 1.00 21.40 ? 273 THR A O 1 +ATOM 4739 C CB . THR A 1 283 ? -9.925 2.910 -18.803 1.00 16.62 ? 273 THR A CB 1 +ATOM 4740 O OG1 . THR A 1 283 ? -11.087 3.569 -18.318 1.00 18.85 ? 273 THR A OG1 1 +ATOM 4741 C CG2 . THR A 1 283 ? -10.329 1.963 -19.891 1.00 18.97 ? 273 THR A CG2 1 +ATOM 4742 H H . THR A 1 283 ? -8.776 3.989 -16.976 1.00 20.61 ? 273 THR A H 1 +ATOM 4743 H HA . THR A 1 283 ? -9.837 1.558 -17.260 1.00 20.19 ? 273 THR A HA 1 +ATOM 4744 H HB . THR A 1 283 ? -9.308 3.557 -19.179 1.00 19.94 ? 273 THR A HB 1 +ATOM 4745 H HG1 . THR A 1 283 ? -10.872 4.148 -17.750 1.00 22.62 ? 273 THR A HG1 1 +ATOM 4746 H HG21 . THR A 1 283 ? -10.953 2.397 -20.494 1.00 22.76 ? 273 THR A HG21 1 +ATOM 4747 H HG22 . THR A 1 283 ? -9.549 1.683 -20.394 1.00 22.76 ? 273 THR A HG22 1 +ATOM 4748 H HG23 . THR A 1 283 ? -10.754 1.180 -19.508 1.00 22.76 ? 273 THR A HG23 1 +ATOM 4749 N N . ILE A 1 284 ? -6.925 2.108 -18.440 1.00 18.39 ? 274 ILE A N 1 +ATOM 4750 C CA . ILE A 1 284 ? -5.809 1.475 -19.127 1.00 19.59 ? 274 ILE A CA 1 +ATOM 4751 C C . ILE A 1 284 ? -5.020 0.531 -18.257 1.00 18.37 ? 274 ILE A C 1 +ATOM 4752 O O . ILE A 1 284 ? -4.469 -0.461 -18.754 1.00 21.77 ? 274 ILE A O 1 +ATOM 4753 C CB . ILE A 1 284 ? -4.920 2.544 -19.810 1.00 19.92 ? 274 ILE A CB 1 +ATOM 4754 C CG1 . ILE A 1 284 ? -3.993 1.922 -20.824 1.00 21.16 ? 274 ILE A CG1 1 +ATOM 4755 C CG2 . ILE A 1 284 ? -4.126 3.351 -18.818 1.00 19.22 ? 274 ILE A CG2 1 +ATOM 4756 C CD1 . ILE A 1 284 ? -3.238 2.961 -21.651 1.00 24.07 ? 274 ILE A CD1 1 +ATOM 4757 H H . ILE A 1 284 ? -6.797 2.932 -18.230 1.00 22.06 ? 274 ILE A H 1 +ATOM 4758 H HA . ILE A 1 284 ? -6.186 0.914 -19.822 1.00 23.51 ? 274 ILE A HA 1 +ATOM 4759 H HB . ILE A 1 284 ? -5.528 3.146 -20.266 1.00 23.91 ? 274 ILE A HB 1 +ATOM 4760 H HG12 . ILE A 1 284 ? -3.339 1.375 -20.360 1.00 25.40 ? 274 ILE A HG12 1 +ATOM 4761 H HG13 . ILE A 1 284 ? -4.512 1.374 -21.432 1.00 25.40 ? 274 ILE A HG13 1 +ATOM 4762 H HG21 . ILE A 1 284 ? -3.789 4.147 -19.257 1.00 23.06 ? 274 ILE A HG21 1 +ATOM 4763 H HG22 . ILE A 1 284 ? -4.703 3.599 -18.079 1.00 23.06 ? 274 ILE A HG22 1 +ATOM 4764 H HG23 . ILE A 1 284 ? -3.386 2.814 -18.494 1.00 23.06 ? 274 ILE A HG23 1 +ATOM 4765 H HD11 . ILE A 1 284 ? -2.759 2.511 -22.365 1.00 28.88 ? 274 ILE A HD11 1 +ATOM 4766 H HD12 . ILE A 1 284 ? -3.874 3.590 -22.026 1.00 28.88 ? 274 ILE A HD12 1 +ATOM 4767 H HD13 . ILE A 1 284 ? -2.611 3.428 -21.076 1.00 28.88 ? 274 ILE A HD13 1 +ATOM 4768 N N . VAL A 1 285 ? -4.880 0.779 -16.956 1.00 17.22 ? 275 VAL A N 1 +ATOM 4769 C CA . VAL A 1 285 ? -4.087 -0.030 -16.051 1.00 17.72 ? 275 VAL A CA 1 +ATOM 4770 C C . VAL A 1 285 ? -4.913 -0.220 -14.789 1.00 17.65 ? 275 VAL A C 1 +ATOM 4771 O O . VAL A 1 285 ? -5.488 0.773 -14.277 1.00 17.53 ? 275 VAL A O 1 +ATOM 4772 C CB . VAL A 1 285 ? -2.771 0.685 -15.701 1.00 18.41 ? 275 VAL A CB 1 +ATOM 4773 C CG1 . VAL A 1 285 ? -2.102 0.093 -14.477 1.00 25.10 ? 275 VAL A CG1 1 +ATOM 4774 C CG2 . VAL A 1 285 ? -1.830 0.615 -16.913 1.00 22.38 ? 275 VAL A CG2 1 +ATOM 4775 H H . VAL A 1 285 ? -5.255 1.444 -16.561 1.00 20.66 ? 275 VAL A H 1 +ATOM 4776 H HA . VAL A 1 285 ? -3.886 -0.888 -16.457 1.00 21.26 ? 275 VAL A HA 1 +ATOM 4777 H HB . VAL A 1 285 ? -2.969 1.610 -15.485 1.00 22.09 ? 275 VAL A HB 1 +ATOM 4778 H HG11 . VAL A 1 285 ? -1.174 0.374 -14.458 1.00 30.12 ? 275 VAL A HG11 1 +ATOM 4779 H HG12 . VAL A 1 285 ? -2.560 0.409 -13.682 1.00 30.12 ? 275 VAL A HG12 1 +ATOM 4780 H HG13 . VAL A 1 285 ? -2.153 -0.874 -14.526 1.00 30.12 ? 275 VAL A HG13 1 +ATOM 4781 H HG21 . VAL A 1 285 ? -1.016 1.101 -16.710 1.00 26.86 ? 275 VAL A HG21 1 +ATOM 4782 H HG22 . VAL A 1 285 ? -1.622 -0.314 -17.099 1.00 26.86 ? 275 VAL A HG22 1 +ATOM 4783 H HG23 . VAL A 1 285 ? -2.271 1.014 -17.679 1.00 26.86 ? 275 VAL A HG23 1 +ATOM 4784 N N . PRO A 1 286 ? -4.981 -1.429 -14.225 1.00 16.97 ? 276 PRO A N 1 +ATOM 4785 C CA . PRO A 1 286 ? -5.651 -1.585 -12.928 1.00 18.17 ? 276 PRO A CA 1 +ATOM 4786 C C . PRO A 1 286 ? -4.927 -0.816 -11.844 1.00 19.02 ? 276 PRO A C 1 +ATOM 4787 O O . PRO A 1 286 ? -3.734 -0.981 -11.665 1.00 23.02 ? 276 PRO A O 1 +ATOM 4788 C CB . PRO A 1 286 ? -5.608 -3.107 -12.683 1.00 21.38 ? 276 PRO A CB 1 +ATOM 4789 C CG . PRO A 1 286 ? -5.284 -3.711 -13.989 1.00 24.09 ? 276 PRO A CG 1 +ATOM 4790 C CD . PRO A 1 286 ? -4.459 -2.724 -14.731 1.00 18.15 ? 276 PRO A CD 1 +ATOM 4791 H HA . PRO A 1 286 ? -6.573 -1.290 -12.980 1.00 21.80 ? 276 PRO A HA 1 +ATOM 4792 H HB2 . PRO A 1 286 ? -4.923 -3.314 -12.028 1.00 25.66 ? 276 PRO A HB2 1 +ATOM 4793 H HB3 . PRO A 1 286 ? -6.472 -3.412 -12.366 1.00 25.66 ? 276 PRO A HB3 1 +ATOM 4794 H HG2 . PRO A 1 286 ? -4.788 -4.533 -13.850 1.00 28.91 ? 276 PRO A HG2 1 +ATOM 4795 H HG3 . PRO A 1 286 ? -6.105 -3.897 -14.471 1.00 28.91 ? 276 PRO A HG3 1 +ATOM 4796 H HD2 . PRO A 1 286 ? -3.518 -2.827 -14.519 1.00 21.78 ? 276 PRO A HD2 1 +ATOM 4797 H HD3 . PRO A 1 286 ? -4.595 -2.805 -15.688 1.00 21.78 ? 276 PRO A HD3 1 +ATOM 4798 N N . GLY A 1 287 ? -5.652 0.048 -11.162 1.00 17.95 ? 277 GLY A N 1 +ATOM 4799 C CA . GLY A 1 287 ? -5.012 0.923 -10.206 1.00 18.93 ? 277 GLY A CA 1 +ATOM 4800 C C . GLY A 1 287 ? -4.386 2.160 -10.800 1.00 15.41 ? 277 GLY A C 1 +ATOM 4801 O O . GLY A 1 287 ? -3.592 2.852 -10.158 1.00 17.62 ? 277 GLY A O 1 +ATOM 4802 H H . GLY A 1 287 ? -6.504 0.145 -11.233 1.00 21.54 ? 277 GLY A H 1 +ATOM 4803 H HA2 . GLY A 1 287 ? -5.673 1.209 -9.556 1.00 22.72 ? 277 GLY A HA2 1 +ATOM 4804 H HA3 . GLY A 1 287 ? -4.314 0.428 -9.751 1.00 22.72 ? 277 GLY A HA3 1 +ATOM 4805 N N . GLY A 1 288 ? -4.659 2.458 -12.065 1.00 15.63 ? 278 GLY A N 1 +ATOM 4806 C CA . GLY A 1 288 ? -4.020 3.559 -12.740 1.00 16.22 ? 278 GLY A CA 1 +ATOM 4807 C C . GLY A 1 288 ? -4.262 4.906 -12.096 1.00 14.21 ? 278 GLY A C 1 +ATOM 4808 O O . GLY A 1 288 ? -3.377 5.749 -12.110 1.00 13.68 ? 278 GLY A O 1 +ATOM 4809 H H . GLY A 1 288 ? -5.219 2.029 -12.556 1.00 18.76 ? 278 GLY A H 1 +ATOM 4810 H HA2 . GLY A 1 288 ? -3.062 3.405 -12.756 1.00 19.46 ? 278 GLY A HA2 1 +ATOM 4811 H HA3 . GLY A 1 288 ? -4.348 3.602 -13.652 1.00 19.46 ? 278 GLY A HA3 1 +ATOM 4812 N N . ARG A 1 289 ? -5.482 5.131 -11.585 1.00 14.48 ? 279 ARG A N 1 +ATOM 4813 C CA A ARG A 1 289 ? -5.746 6.421 -10.943 0.57 14.11 ? 279 ARG A CA 1 +ATOM 4814 C CA B ARG A 1 289 ? -5.740 6.420 -10.944 0.43 14.27 ? 279 ARG A CA 1 +ATOM 4815 C C . ARG A 1 289 ? -4.972 6.562 -9.641 1.00 14.43 ? 279 ARG A C 1 +ATOM 4816 O O . ARG A 1 289 ? -4.432 7.636 -9.374 1.00 15.23 ? 279 ARG A O 1 +ATOM 4817 C CB A ARG A 1 289 ? -7.232 6.643 -10.706 0.57 14.24 ? 279 ARG A CB 1 +ATOM 4818 C CB B ARG A 1 289 ? -7.223 6.630 -10.715 0.43 14.34 ? 279 ARG A CB 1 +ATOM 4819 C CG A ARG A 1 289 ? -8.029 6.699 -12.008 0.57 16.03 ? 279 ARG A CG 1 +ATOM 4820 C CG B ARG A 1 289 ? -7.964 6.825 -12.021 0.43 16.28 ? 279 ARG A CG 1 +ATOM 4821 C CD A ARG A 1 289 ? -9.373 7.418 -11.878 0.57 23.42 ? 279 ARG A CD 1 +ATOM 4822 C CD B ARG A 1 289 ? -9.471 6.736 -11.847 0.43 15.10 ? 279 ARG A CD 1 +ATOM 4823 N NE A ARG A 1 289 ? -10.310 6.602 -11.128 0.57 23.58 ? 279 ARG A NE 1 +ATOM 4824 N NE B ARG A 1 289 ? -9.882 5.459 -11.288 0.43 18.37 ? 279 ARG A NE 1 +ATOM 4825 C CZ A ARG A 1 289 ? -11.620 6.844 -11.048 0.57 44.84 ? 279 ARG A CZ 1 +ATOM 4826 C CZ B ARG A 1 289 ? -11.122 5.174 -10.918 0.43 45.85 ? 279 ARG A CZ 1 +ATOM 4827 N NH1 A ARG A 1 289 ? -12.198 7.892 -11.688 0.57 20.62 ? 279 ARG A NH1 1 +ATOM 4828 N NH1 B ARG A 1 289 ? -12.067 6.097 -11.035 0.43 43.16 ? 279 ARG A NH1 1 +ATOM 4829 N NH2 A ARG A 1 289 ? -12.345 6.003 -10.326 0.57 26.12 ? 279 ARG A NH2 1 +ATOM 4830 N NH2 B ARG A 1 289 ? -11.403 3.974 -10.421 0.43 44.27 ? 279 ARG A NH2 1 +ATOM 4831 H H A ARG A 1 289 ? -6.141 4.579 -11.598 0.57 17.38 ? 279 ARG A H 1 +ATOM 4832 H H B ARG A 1 289 ? -6.142 4.580 -11.597 0.43 17.38 ? 279 ARG A H 1 +ATOM 4833 H HA A ARG A 1 289 ? -5.454 7.115 -11.554 0.57 16.93 ? 279 ARG A HA 1 +ATOM 4834 H HA B ARG A 1 289 ? -5.440 7.117 -11.548 0.43 17.12 ? 279 ARG A HA 1 +ATOM 4835 H HB2 A ARG A 1 289 ? -7.580 5.912 -10.171 0.57 17.09 ? 279 ARG A HB2 1 +ATOM 4836 H HB2 B ARG A 1 289 ? -7.591 5.853 -10.268 0.43 17.21 ? 279 ARG A HB2 1 +ATOM 4837 H HB3 A ARG A 1 289 ? -7.357 7.484 -10.240 0.57 17.09 ? 279 ARG A HB3 1 +ATOM 4838 H HB3 B ARG A 1 289 ? -7.354 7.421 -10.169 0.43 17.21 ? 279 ARG A HB3 1 +ATOM 4839 H HG2 A ARG A 1 289 ? -7.506 7.170 -12.675 0.57 19.23 ? 279 ARG A HG2 1 +ATOM 4840 H HG2 B ARG A 1 289 ? -7.754 7.702 -12.379 0.43 19.54 ? 279 ARG A HG2 1 +ATOM 4841 H HG3 A ARG A 1 289 ? -8.207 5.793 -12.305 0.57 19.23 ? 279 ARG A HG3 1 +ATOM 4842 H HG3 B ARG A 1 289 ? -7.692 6.137 -12.648 0.43 19.54 ? 279 ARG A HG3 1 +ATOM 4843 H HD2 A ARG A 1 289 ? -9.249 8.258 -11.409 0.57 28.10 ? 279 ARG A HD2 1 +ATOM 4844 H HD2 B ARG A 1 289 ? -9.764 7.438 -11.245 0.43 18.12 ? 279 ARG A HD2 1 +ATOM 4845 H HD3 A ARG A 1 289 ? -9.741 7.582 -12.760 0.57 28.10 ? 279 ARG A HD3 1 +ATOM 4846 H HD3 B ARG A 1 289 ? -9.898 6.840 -12.711 0.43 18.12 ? 279 ARG A HD3 1 +ATOM 4847 H HE A ARG A 1 289 ? -10.001 5.917 -10.708 0.57 28.30 ? 279 ARG A HE 1 +ATOM 4848 H HE B ARG A 1 289 ? -9.283 4.850 -11.193 0.43 22.05 ? 279 ARG A HE 1 +ATOM 4849 H HH11 A ARG A 1 289 ? -11.718 8.423 -12.163 0.57 24.74 ? 279 ARG A HH11 1 +ATOM 4850 H HH11 B ARG A 1 289 ? -11.874 6.873 -11.350 0.43 51.79 ? 279 ARG A HH11 1 +ATOM 4851 H HH12 A ARG A 1 289 ? -13.045 8.024 -11.618 0.57 24.74 ? 279 ARG A HH12 1 +ATOM 4852 H HH12 B ARG A 1 289 ? -12.874 5.918 -10.796 0.43 51.79 ? 279 ARG A HH12 1 +ATOM 4853 H HH21 A ARG A 1 289 ? -11.967 5.337 -9.935 0.57 31.34 ? 279 ARG A HH21 1 +ATOM 4854 H HH21 B ARG A 1 289 ? -10.782 3.384 -10.342 0.43 53.12 ? 279 ARG A HH21 1 +ATOM 4855 H HH22 A ARG A 1 289 ? -13.193 6.123 -10.248 0.57 31.34 ? 279 ARG A HH22 1 +ATOM 4856 H HH22 B ARG A 1 289 ? -12.207 3.786 -10.180 0.43 53.12 ? 279 ARG A HH22 1 +ATOM 4857 N N . GLU A 1 290 ? -4.871 5.486 -8.856 1.00 14.78 ? 280 GLU A N 1 +ATOM 4858 C CA . GLU A 1 290 ? -4.111 5.522 -7.613 1.00 14.08 ? 280 GLU A CA 1 +ATOM 4859 C C . GLU A 1 290 ? -2.667 5.828 -7.892 1.00 15.54 ? 280 GLU A C 1 +ATOM 4860 O O . GLU A 1 290 ? -2.045 6.616 -7.184 1.00 16.11 ? 280 GLU A O 1 +ATOM 4861 C CB . GLU A 1 290 ? -4.247 4.158 -6.967 1.00 16.99 ? 280 GLU A CB 1 +ATOM 4862 C CG . GLU A 1 290 ? -5.625 3.863 -6.447 1.00 20.60 ? 280 GLU A CG 1 +ATOM 4863 C CD . GLU A 1 290 ? -6.556 3.107 -7.415 1.00 31.79 ? 280 GLU A CD 1 +ATOM 4864 O OE1 . GLU A 1 290 ? -6.497 3.265 -8.668 1.00 21.47 ? 280 GLU A OE1 1 +ATOM 4865 O OE2 . GLU A 1 290 ? -7.387 2.336 -6.898 1.00 25.41 ? 280 GLU A OE2 1 +ATOM 4866 H H . GLU A 1 290 ? -5.234 4.724 -9.023 1.00 17.74 ? 280 GLU A H 1 +ATOM 4867 H HA . GLU A 1 290 ? -4.448 6.206 -7.014 1.00 16.89 ? 280 GLU A HA 1 +ATOM 4868 H HB2 . GLU A 1 290 ? -4.029 3.479 -7.625 1.00 20.39 ? 280 GLU A HB2 1 +ATOM 4869 H HB3 . GLU A 1 290 ? -3.632 4.105 -6.220 1.00 20.39 ? 280 GLU A HB3 1 +ATOM 4870 H HG2 . GLU A 1 290 ? -5.539 3.321 -5.647 1.00 24.72 ? 280 GLU A HG2 1 +ATOM 4871 H HG3 . GLU A 1 290 ? -6.056 4.705 -6.232 1.00 24.72 ? 280 GLU A HG3 1 +ATOM 4872 N N . ILE A 1 291 ? -2.093 5.211 -8.931 1.00 15.11 ? 281 ILE A N 1 +ATOM 4873 C CA . ILE A 1 291 ? -0.709 5.482 -9.299 1.00 15.53 ? 281 ILE A CA 1 +ATOM 4874 C C . ILE A 1 291 ? -0.566 6.951 -9.680 1.00 15.29 ? 281 ILE A C 1 +ATOM 4875 O O . ILE A 1 291 ? 0.371 7.640 -9.284 1.00 15.04 ? 281 ILE A O 1 +ATOM 4876 C CB . ILE A 1 291 ? -0.285 4.547 -10.457 1.00 15.51 ? 281 ILE A CB 1 +ATOM 4877 C CG1 . ILE A 1 291 ? -0.239 3.087 -10.016 1.00 17.95 ? 281 ILE A CG1 1 +ATOM 4878 C CG2 . ILE A 1 291 ? 1.082 4.937 -10.971 1.00 17.98 ? 281 ILE A CG2 1 +ATOM 4879 C CD1 . ILE A 1 291 ? -0.096 2.099 -11.199 1.00 21.35 ? 281 ILE A CD1 1 +ATOM 4880 H H . ILE A 1 291 ? -2.486 4.634 -9.434 1.00 18.14 ? 281 ILE A H 1 +ATOM 4881 H HA . ILE A 1 291 ? -0.128 5.306 -8.542 1.00 18.64 ? 281 ILE A HA 1 +ATOM 4882 H HB . ILE A 1 291 ? -0.951 4.644 -11.155 1.00 18.61 ? 281 ILE A HB 1 +ATOM 4883 H HG12 . ILE A 1 291 ? 0.521 2.960 -9.427 1.00 21.54 ? 281 ILE A HG12 1 +ATOM 4884 H HG13 . ILE A 1 291 ? -1.061 2.874 -9.548 1.00 21.54 ? 281 ILE A HG13 1 +ATOM 4885 H HG21 . ILE A 1 291 ? 1.393 4.256 -11.588 1.00 21.57 ? 281 ILE A HG21 1 +ATOM 4886 H HG22 . ILE A 1 291 ? 1.017 5.791 -11.426 1.00 21.57 ? 281 ILE A HG22 1 +ATOM 4887 H HG23 . ILE A 1 291 ? 1.694 5.007 -10.221 1.00 21.57 ? 281 ILE A HG23 1 +ATOM 4888 H HD11 . ILE A 1 291 ? -0.294 1.202 -10.887 1.00 25.63 ? 281 ILE A HD11 1 +ATOM 4889 H HD12 . ILE A 1 291 ? -0.719 2.351 -11.898 1.00 25.63 ? 281 ILE A HD12 1 +ATOM 4890 H HD13 . ILE A 1 291 ? 0.813 2.139 -11.536 1.00 25.63 ? 281 ILE A HD13 1 +ATOM 4891 N N . THR A 1 292 ? -1.505 7.456 -10.483 1.00 13.87 ? 282 THR A N 1 +ATOM 4892 C CA . THR A 1 292 ? -1.405 8.824 -10.976 1.00 14.02 ? 282 THR A CA 1 +ATOM 4893 C C . THR A 1 292 ? -1.496 9.821 -9.828 1.00 13.45 ? 282 THR A C 1 +ATOM 4894 O O . THR A 1 292 ? -0.802 10.850 -9.833 1.00 14.58 ? 282 THR A O 1 +ATOM 4895 C CB . THR A 1 292 ? -2.516 9.076 -12.000 1.00 12.56 ? 282 THR A CB 1 +ATOM 4896 O OG1 . THR A 1 292 ? -2.394 8.110 -13.079 1.00 13.87 ? 282 THR A OG1 1 +ATOM 4897 C CG2 . THR A 1 292 ? -2.366 10.401 -12.662 1.00 13.54 ? 282 THR A CG2 1 +ATOM 4898 H H . THR A 1 292 ? -2.201 7.030 -10.753 1.00 16.65 ? 282 THR A H 1 +ATOM 4899 H HA . THR A 1 292 ? -0.553 8.954 -11.421 1.00 16.82 ? 282 THR A HA 1 +ATOM 4900 H HB . THR A 1 292 ? -3.364 9.023 -11.532 1.00 15.07 ? 282 THR A HB 1 +ATOM 4901 H HG1 . THR A 1 292 ? -2.497 7.331 -12.780 1.00 16.64 ? 282 THR A HG1 1 +ATOM 4902 H HG21 . THR A 1 292 ? -3.024 10.495 -13.369 1.00 16.25 ? 282 THR A HG21 1 +ATOM 4903 H HG22 . THR A 1 292 ? -2.494 11.112 -12.015 1.00 16.25 ? 282 THR A HG22 1 +ATOM 4904 H HG23 . THR A 1 292 ? -1.478 10.481 -13.046 1.00 16.25 ? 282 THR A HG23 1 +ATOM 4905 N N . LEU A 1 293 ? -2.291 9.510 -8.797 1.00 13.85 ? 283 LEU A N 1 +ATOM 4906 C CA . LEU A 1 293 ? -2.374 10.374 -7.605 1.00 13.32 ? 283 LEU A CA 1 +ATOM 4907 C C . LEU A 1 293 ? -1.068 10.396 -6.820 1.00 14.70 ? 283 LEU A C 1 +ATOM 4908 O O . LEU A 1 293 ? -0.886 11.301 -6.004 1.00 14.77 ? 283 LEU A O 1 +ATOM 4909 C CB . LEU A 1 293 ? -3.530 9.902 -6.729 1.00 14.68 ? 283 LEU A CB 1 +ATOM 4910 C CG . LEU A 1 293 ? -4.913 10.237 -7.259 1.00 14.00 ? 283 LEU A CG 1 +ATOM 4911 C CD1 . LEU A 1 293 ? -5.984 9.473 -6.494 1.00 16.11 ? 283 LEU A CD1 1 +ATOM 4912 C CD2 . LEU A 1 293 ? -5.183 11.727 -7.197 1.00 15.45 ? 283 LEU A CD2 1 +ATOM 4913 H H . LEU A 1 293 ? -2.791 8.812 -8.760 1.00 16.62 ? 283 LEU A H 1 +ATOM 4914 H HA . LEU A 1 293 ? -2.556 11.289 -7.873 1.00 15.99 ? 283 LEU A HA 1 +ATOM 4915 H HB2 . LEU A 1 293 ? -3.476 8.937 -6.645 1.00 17.62 ? 283 LEU A HB2 1 +ATOM 4916 H HB3 . LEU A 1 293 ? -3.443 10.317 -5.857 1.00 17.62 ? 283 LEU A HB3 1 +ATOM 4917 H HG . LEU A 1 293 ? -4.953 9.970 -8.190 1.00 16.81 ? 283 LEU A HG 1 +ATOM 4918 H HD11 . LEU A 1 293 ? -6.855 9.704 -6.854 1.00 19.34 ? 283 LEU A HD11 1 +ATOM 4919 H HD12 . LEU A 1 293 ? -5.826 8.521 -6.597 1.00 19.34 ? 283 LEU A HD12 1 +ATOM 4920 H HD13 . LEU A 1 293 ? -5.938 9.717 -5.557 1.00 19.34 ? 283 LEU A HD13 1 +ATOM 4921 H HD21 . LEU A 1 293 ? -6.116 11.888 -7.410 1.00 18.54 ? 283 LEU A HD21 1 +ATOM 4922 H HD22 . LEU A 1 293 ? -4.989 12.046 -6.301 1.00 18.54 ? 283 LEU A HD22 1 +ATOM 4923 H HD23 . LEU A 1 293 ? -4.614 12.178 -7.839 1.00 18.54 ? 283 LEU A HD23 1 +ATOM 4924 N N . ARG A 1 294 ? -0.166 9.476 -7.048 1.00 15.13 ? 284 ARG A N 1 +ATOM 4925 C CA . ARG A 1 294 ? 1.154 9.482 -6.425 1.00 15.84 ? 284 ARG A CA 1 +ATOM 4926 C C . ARG A 1 294 ? 2.211 10.103 -7.322 1.00 16.52 ? 284 ARG A C 1 +ATOM 4927 O O . ARG A 1 294 ? 3.374 10.200 -6.929 1.00 17.84 ? 284 ARG A O 1 +ATOM 4928 C CB . ARG A 1 294 ? 1.574 8.049 -6.068 1.00 17.48 ? 284 ARG A CB 1 +ATOM 4929 C CG . ARG A 1 294 ? 0.662 7.414 -4.986 1.00 19.14 ? 284 ARG A CG 1 +ATOM 4930 C CD . ARG A 1 294 ? 1.307 6.078 -4.463 1.00 30.02 ? 284 ARG A CD 1 +ATOM 4931 N NE . ARG A 1 294 ? 2.318 6.354 -3.438 1.00 73.18 ? 284 ARG A NE 1 +ATOM 4932 C CZ . ARG A 1 294 ? 3.384 5.599 -3.175 1.00 89.92 ? 284 ARG A CZ 1 +ATOM 4933 N NH1 . ARG A 1 294 ? 3.628 4.485 -3.855 1.00 51.61 ? 284 ARG A NH1 1 +ATOM 4934 N NH2 . ARG A 1 294 ? 4.225 5.971 -2.219 1.00 100.72 ? 284 ARG A NH2 1 +ATOM 4935 H H . ARG A 1 294 ? -0.289 8.810 -7.578 1.00 18.15 ? 284 ARG A H 1 +ATOM 4936 H HA . ARG A 1 294 ? 1.110 9.995 -5.603 1.00 19.00 ? 284 ARG A HA 1 +ATOM 4937 H HB2 . ARG A 1 294 ? 1.526 7.498 -6.865 1.00 20.98 ? 284 ARG A HB2 1 +ATOM 4938 H HB3 . ARG A 1 294 ? 2.482 8.062 -5.728 1.00 20.98 ? 284 ARG A HB3 1 +ATOM 4939 H HG2 . ARG A 1 294 ? 0.564 8.026 -4.240 1.00 22.97 ? 284 ARG A HG2 1 +ATOM 4940 H HG3 . ARG A 1 294 ? -0.207 7.213 -5.367 1.00 22.97 ? 284 ARG A HG3 1 +ATOM 4941 H HD2 . ARG A 1 294 ? 0.619 5.517 -4.073 1.00 36.02 ? 284 ARG A HD2 1 +ATOM 4942 H HD3 . ARG A 1 294 ? 1.735 5.614 -5.200 1.00 36.02 ? 284 ARG A HD3 1 +ATOM 4943 H HE . ARG A 1 294 ? 2.214 7.066 -2.966 1.00 87.81 ? 284 ARG A HE 1 +ATOM 4944 H HH11 . ARG A 1 294 ? 3.093 4.238 -4.481 1.00 61.93 ? 284 ARG A HH11 1 +ATOM 4945 H HH12 . ARG A 1 294 ? 4.321 4.011 -3.670 1.00 61.93 ? 284 ARG A HH12 1 +ATOM 4946 H HH21 . ARG A 1 294 ? 4.081 6.694 -1.776 1.00 120.86 ? 284 ARG A HH21 1 +ATOM 4947 H HH22 . ARG A 1 294 ? 4.916 5.489 -2.042 1.00 120.86 ? 284 ARG A HH22 1 +ATOM 4948 N N . CYS A 1 295 ? 1.828 10.621 -8.483 1.00 15.32 ? 285 CYS A N 1 +ATOM 4949 C CA . CYS A 1 295 ? 2.774 11.147 -9.477 1.00 16.00 ? 285 CYS A CA 1 +ATOM 4950 C C . CYS A 1 295 ? 2.398 12.565 -9.853 1.00 15.85 ? 285 CYS A C 1 +ATOM 4951 O O . CYS A 1 295 ? 2.790 13.060 -10.916 1.00 16.11 ? 285 CYS A O 1 +ATOM 4952 C CB . CYS A 1 295 ? 2.801 10.294 -10.732 1.00 16.46 ? 285 CYS A CB 1 +ATOM 4953 S SG . CYS A 1 295 ? 3.377 8.621 -10.485 1.00 18.77 ? 285 CYS A SG 1 +ATOM 4954 H H . CYS A 1 295 ? 1.007 10.685 -8.730 1.00 18.39 ? 285 CYS A H 1 +ATOM 4955 H HA . CYS A 1 295 ? 3.666 11.130 -9.095 1.00 19.20 ? 285 CYS A HA 1 +ATOM 4956 H HB2 . CYS A 1 295 ? 1.901 10.244 -11.090 1.00 19.75 ? 285 CYS A HB2 1 +ATOM 4957 H HB3 . CYS A 1 295 ? 3.391 10.715 -11.377 1.00 19.75 ? 285 CYS A HB3 1 +ATOM 4958 H HG . CYS A 1 295 ? 3.561 8.109 -11.554 1.00 22.52 ? 285 CYS A HG 1 +ATOM 4959 N N . GLY A 1 296 ? 1.626 13.246 -9.021 1.00 15.10 ? 286 GLY A N 1 +ATOM 4960 C CA . GLY A 1 296 ? 1.323 14.655 -9.189 1.00 15.63 ? 286 GLY A CA 1 +ATOM 4961 C C . GLY A 1 296 ? -0.133 15.012 -9.244 1.00 14.19 ? 286 GLY A C 1 +ATOM 4962 O O . GLY A 1 296 ? -0.457 16.189 -9.111 1.00 14.12 ? 286 GLY A O 1 +ATOM 4963 H H . GLY A 1 296 ? 1.254 12.900 -8.327 1.00 18.12 ? 286 GLY A H 1 +ATOM 4964 H HA2 . GLY A 1 296 ? 1.714 15.142 -8.447 1.00 18.76 ? 286 GLY A HA2 1 +ATOM 4965 H HA3 . GLY A 1 296 ? 1.729 14.959 -10.016 1.00 18.76 ? 286 GLY A HA3 1 +ATOM 4966 N N . ALA A 1 297 ? -1.062 14.073 -9.445 1.00 13.32 ? 287 ALA A N 1 +ATOM 4967 C CA . ALA A 1 297 ? -2.472 14.420 -9.489 1.00 13.40 ? 287 ALA A CA 1 +ATOM 4968 C C . ALA A 1 297 ? -3.037 14.620 -8.084 1.00 13.87 ? 287 ALA A C 1 +ATOM 4969 O O . ALA A 1 297 ? -2.491 14.120 -7.090 1.00 14.37 ? 287 ALA A O 1 +ATOM 4970 C CB . ALA A 1 297 ? -3.264 13.333 -10.202 1.00 13.44 ? 287 ALA A CB 1 +ATOM 4971 H H . ALA A 1 297 ? -0.897 13.237 -9.557 1.00 15.98 ? 287 ALA A H 1 +ATOM 4972 H HA . ALA A 1 297 ? -2.573 15.253 -9.977 1.00 16.08 ? 287 ALA A HA 1 +ATOM 4973 H HB1 . ALA A 1 297 ? -4.204 13.572 -10.197 1.00 16.12 ? 287 ALA A HB1 1 +ATOM 4974 H HB2 . ALA A 1 297 ? -2.946 13.258 -11.116 1.00 16.12 ? 287 ALA A HB2 1 +ATOM 4975 H HB3 . ALA A 1 297 ? -3.134 12.491 -9.737 1.00 16.12 ? 287 ALA A HB3 1 +ATOM 4976 N N . ASN A 1 298 ? -4.139 15.383 -8.017 1.00 12.67 ? 288 ASN A N 1 +ATOM 4977 C CA . ASN A 1 298 ? -4.753 15.739 -6.733 1.00 13.15 ? 288 ASN A CA 1 +ATOM 4978 C C . ASN A 1 298 ? -6.263 15.775 -6.810 1.00 13.06 ? 288 ASN A C 1 +ATOM 4979 O O . ASN A 1 298 ? -6.900 16.275 -5.851 1.00 14.08 ? 288 ASN A O 1 +ATOM 4980 C CB . ASN A 1 298 ? -4.226 17.094 -6.213 1.00 13.47 ? 288 ASN A CB 1 +ATOM 4981 C CG . ASN A 1 298 ? -4.728 18.271 -7.012 1.00 13.36 ? 288 ASN A CG 1 +ATOM 4982 O OD1 . ASN A 1 298 ? -4.674 18.228 -8.265 1.00 13.42 ? 288 ASN A OD1 1 +ATOM 4983 N ND2 . ASN A 1 298 ? -5.238 19.314 -6.390 1.00 14.77 ? 288 ASN A ND2 1 +ATOM 4984 H H . ASN A 1 298 ? -4.548 15.706 -8.701 1.00 15.20 ? 288 ASN A H 1 +ATOM 4985 H HA . ASN A 1 298 ? -4.503 15.067 -6.080 1.00 15.78 ? 288 ASN A HA 1 +ATOM 4986 H HB2 . ASN A 1 298 ? -4.514 17.213 -5.294 1.00 16.16 ? 288 ASN A HB2 1 +ATOM 4987 H HB3 . ASN A 1 298 ? -3.257 17.094 -6.259 1.00 16.16 ? 288 ASN A HB3 1 +ATOM 4988 H HD21 . ASN A 1 298 ? -5.525 19.987 -6.842 1.00 17.73 ? 288 ASN A HD21 1 +ATOM 4989 H HD22 . ASN A 1 298 ? -5.283 19.322 -5.531 1.00 17.73 ? 288 ASN A HD22 1 +ATOM 4990 N N . VAL A 1 299 ? -6.871 15.274 -7.876 1.00 12.86 ? 289 VAL A N 1 +ATOM 4991 C CA . VAL A 1 299 ? -8.310 15.317 -8.095 1.00 13.08 ? 289 VAL A CA 1 +ATOM 4992 C C . VAL A 1 299 ? -8.740 13.965 -8.621 1.00 13.06 ? 289 VAL A C 1 +ATOM 4993 O O . VAL A 1 299 ? -7.991 13.300 -9.349 1.00 13.05 ? 289 VAL A O 1 +ATOM 4994 C CB . VAL A 1 299 ? -8.661 16.443 -9.112 1.00 13.88 ? 289 VAL A CB 1 +ATOM 4995 C CG1 . VAL A 1 299 ? -10.117 16.369 -9.581 1.00 15.36 ? 289 VAL A CG1 1 +ATOM 4996 C CG2 . VAL A 1 299 ? -8.300 17.794 -8.545 1.00 16.01 ? 289 VAL A CG2 1 +ATOM 4997 H H . VAL A 1 299 ? -6.452 14.885 -8.518 1.00 15.44 ? 289 VAL A H 1 +ATOM 4998 H HA . VAL A 1 299 ? -8.784 15.482 -7.264 1.00 15.70 ? 289 VAL A HA 1 +ATOM 4999 H HB . VAL A 1 299 ? -8.128 16.312 -9.912 1.00 16.65 ? 289 VAL A HB 1 +ATOM 5000 H HG11 . VAL A 1 299 ? -10.338 17.187 -10.053 1.00 18.43 ? 289 VAL A HG11 1 +ATOM 5001 H HG12 . VAL A 1 299 ? -10.221 15.607 -10.172 1.00 18.43 ? 289 VAL A HG12 1 +ATOM 5002 H HG13 . VAL A 1 299 ? -10.693 16.268 -8.807 1.00 18.43 ? 289 VAL A HG13 1 +ATOM 5003 H HG21 . VAL A 1 299 ? -8.548 18.481 -9.183 1.00 19.21 ? 289 VAL A HG21 1 +ATOM 5004 H HG22 . VAL A 1 299 ? -8.782 17.926 -7.713 1.00 19.21 ? 289 VAL A HG22 1 +ATOM 5005 H HG23 . VAL A 1 299 ? -7.345 17.823 -8.382 1.00 19.21 ? 289 VAL A HG23 1 +ATOM 5006 N N . ILE A 1 300 ? -9.931 13.535 -8.267 1.00 12.89 ? 290 ILE A N 1 +ATOM 5007 C CA . ILE A 1 300 ? -10.540 12.318 -8.827 1.00 14.42 ? 290 ILE A CA 1 +ATOM 5008 C C . ILE A 1 300 ? -11.982 12.641 -9.162 1.00 13.75 ? 290 ILE A C 1 +ATOM 5009 O O . ILE A 1 300 ? -12.645 13.441 -8.492 1.00 14.50 ? 290 ILE A O 1 +ATOM 5010 C CB . ILE A 1 300 ? -10.380 11.118 -7.871 1.00 16.13 ? 290 ILE A CB 1 +ATOM 5011 C CG1 . ILE A 1 300 ? -10.709 9.835 -8.632 1.00 21.15 ? 290 ILE A CG1 1 +ATOM 5012 C CG2 . ILE A 1 300 ? -11.193 11.294 -6.621 1.00 17.59 ? 290 ILE A CG2 1 +ATOM 5013 C CD1 . ILE A 1 300 ? -9.943 8.656 -8.217 1.00 27.33 ? 290 ILE A CD1 1 +ATOM 5014 H H . ILE A 1 300 ? -10.430 13.932 -7.690 1.00 15.47 ? 290 ILE A H 1 +ATOM 5015 H HA . ILE A 1 300 ? -10.108 12.061 -9.656 1.00 17.30 ? 290 ILE A HA 1 +ATOM 5016 H HB . ILE A 1 300 ? -9.460 11.060 -7.569 1.00 19.36 ? 290 ILE A HB 1 +ATOM 5017 H HG12 . ILE A 1 300 ? -11.649 9.632 -8.501 1.00 25.38 ? 290 ILE A HG12 1 +ATOM 5018 H HG13 . ILE A 1 300 ? -10.530 9.982 -9.574 1.00 25.38 ? 290 ILE A HG13 1 +ATOM 5019 H HG21 . ILE A 1 300 ? -10.957 10.595 -5.990 1.00 21.10 ? 290 ILE A HG21 1 +ATOM 5020 H HG22 . ILE A 1 300 ? -10.999 12.164 -6.239 1.00 21.10 ? 290 ILE A HG22 1 +ATOM 5021 H HG23 . ILE A 1 300 ? -12.134 11.233 -6.846 1.00 21.10 ? 290 ILE A HG23 1 +ATOM 5022 H HD11 . ILE A 1 300 ? -10.082 7.946 -8.863 1.00 32.79 ? 290 ILE A HD11 1 +ATOM 5023 H HD12 . ILE A 1 300 ? -9.002 8.889 -8.179 1.00 32.79 ? 290 ILE A HD12 1 +ATOM 5024 H HD13 . ILE A 1 300 ? -10.250 8.372 -7.342 1.00 32.79 ? 290 ILE A HD13 1 +ATOM 5025 N N . MET A 1 301 ? -12.454 12.078 -10.267 1.00 13.34 ? 291 MET A N 1 +ATOM 5026 C CA A MET A 1 301 ? -13.744 12.428 -10.854 0.79 14.28 ? 291 MET A CA 1 +ATOM 5027 C CA B MET A 1 301 ? -13.761 12.428 -10.810 0.21 16.11 ? 291 MET A CA 1 +ATOM 5028 C C . MET A 1 301 ? -14.576 11.170 -11.000 1.00 14.17 ? 291 MET A C 1 +ATOM 5029 O O . MET A 1 301 ? -14.690 10.632 -12.128 1.00 17.03 ? 291 MET A O 1 +ATOM 5030 C CB A MET A 1 301 ? -13.575 13.266 -12.141 0.79 13.76 ? 291 MET A CB 1 +ATOM 5031 C CB B MET A 1 301 ? -13.637 13.174 -12.132 0.21 15.72 ? 291 MET A CB 1 +ATOM 5032 C CG A MET A 1 301 ? -12.496 14.398 -12.056 0.79 12.48 ? 291 MET A CG 1 +ATOM 5033 C CG B MET A 1 301 ? -12.942 14.508 -12.074 0.21 28.52 ? 291 MET A CG 1 +ATOM 5034 S SD A MET A 1 301 ? -12.217 15.406 -13.589 0.79 16.62 ? 291 MET A SD 1 +ATOM 5035 S SD B MET A 1 301 ? -13.546 15.490 -13.424 0.21 16.35 ? 291 MET A SD 1 +ATOM 5036 C CE A MET A 1 301 ? -13.684 16.485 -13.493 0.79 20.22 ? 291 MET A CE 1 +ATOM 5037 C CE B MET A 1 301 ? -12.146 16.559 -13.809 0.21 26.81 ? 291 MET A CE 1 +ATOM 5038 H H A MET A 1 301 ? -12.032 11.473 -10.709 0.79 16.01 ? 291 MET A H 1 +ATOM 5039 H H B MET A 1 301 ? -12.031 11.485 -10.725 0.21 16.01 ? 291 MET A H 1 +ATOM 5040 H HA A MET A 1 301 ? -14.242 12.996 -10.246 0.79 17.13 ? 291 MET A HA 1 +ATOM 5041 H HA B MET A 1 301 ? -14.203 13.001 -10.164 0.21 19.33 ? 291 MET A HA 1 +ATOM 5042 H HB2 A MET A 1 301 ? -13.317 12.672 -12.863 0.79 16.52 ? 291 MET A HB2 1 +ATOM 5043 H HB2 B MET A 1 301 ? -13.136 12.617 -12.749 0.21 18.86 ? 291 MET A HB2 1 +ATOM 5044 H HB3 A MET A 1 301 ? -14.424 13.688 -12.345 0.79 16.52 ? 291 MET A HB3 1 +ATOM 5045 H HB3 B MET A 1 301 ? -14.530 13.331 -12.477 0.21 18.86 ? 291 MET A HB3 1 +ATOM 5046 H HG2 A MET A 1 301 ? -12.763 15.016 -11.357 0.79 14.97 ? 291 MET A HG2 1 +ATOM 5047 H HG2 B MET A 1 301 ? -13.143 14.955 -11.236 0.21 34.23 ? 291 MET A HG2 1 +ATOM 5048 H HG3 A MET A 1 301 ? -11.647 13.988 -11.830 0.79 14.97 ? 291 MET A HG3 1 +ATOM 5049 H HG3 B MET A 1 301 ? -11.983 14.391 -12.165 0.21 34.23 ? 291 MET A HG3 1 +ATOM 5050 H HE1 A MET A 1 301 ? -13.599 17.192 -14.152 0.79 24.27 ? 291 MET A HE1 1 +ATOM 5051 H HE1 B MET A 1 301 ? -12.322 17.022 -14.643 0.21 32.17 ? 291 MET A HE1 1 +ATOM 5052 H HE2 A MET A 1 301 ? -14.477 15.957 -13.674 0.79 24.27 ? 291 MET A HE2 1 +ATOM 5053 H HE2 B MET A 1 301 ? -12.032 17.201 -13.091 0.21 32.17 ? 291 MET A HE2 1 +ATOM 5054 H HE3 A MET A 1 301 ? -13.737 16.867 -12.603 0.79 24.27 ? 291 MET A HE3 1 +ATOM 5055 H HE3 B MET A 1 301 ? -11.347 16.015 -13.895 0.21 32.17 ? 291 MET A HE3 1 +ATOM 5056 N N . PRO A 1 302 ? -15.185 10.667 -9.944 1.00 15.01 ? 292 PRO A N 1 +ATOM 5057 C CA . PRO A 1 302 ? -15.982 9.456 -10.073 1.00 15.86 ? 292 PRO A CA 1 +ATOM 5058 C C . PRO A 1 302 ? -17.159 9.667 -11.004 1.00 14.73 ? 292 PRO A C 1 +ATOM 5059 O O . PRO A 1 302 ? -17.784 10.729 -11.032 1.00 16.22 ? 292 PRO A O 1 +ATOM 5060 C CB . PRO A 1 302 ? -16.440 9.184 -8.646 1.00 18.01 ? 292 PRO A CB 1 +ATOM 5061 C CG . PRO A 1 302 ? -16.474 10.512 -7.996 1.00 15.66 ? 292 PRO A CG 1 +ATOM 5062 C CD . PRO A 1 302 ? -15.295 11.231 -8.580 1.00 14.11 ? 292 PRO A CD 1 +ATOM 5063 H HA . PRO A 1 302 ? -15.440 8.717 -10.391 1.00 19.04 ? 292 PRO A HA 1 +ATOM 5064 H HB2 . PRO A 1 302 ? -17.321 8.778 -8.653 1.00 21.61 ? 292 PRO A HB2 1 +ATOM 5065 H HB3 . PRO A 1 302 ? -15.808 8.596 -8.203 1.00 21.61 ? 292 PRO A HB3 1 +ATOM 5066 H HG2 . PRO A 1 302 ? -17.303 10.967 -8.209 1.00 18.79 ? 292 PRO A HG2 1 +ATOM 5067 H HG3 . PRO A 1 302 ? -16.385 10.416 -7.035 1.00 18.79 ? 292 PRO A HG3 1 +ATOM 5068 H HD2 . PRO A 1 302 ? -15.457 12.186 -8.614 1.00 16.93 ? 292 PRO A HD2 1 +ATOM 5069 H HD3 . PRO A 1 302 ? -14.492 11.049 -8.067 1.00 16.93 ? 292 PRO A HD3 1 +ATOM 5070 N N A ASN A 1 303 ? -17.502 8.602 -11.731 0.56 16.61 ? 293 ASN A N 1 +ATOM 5071 N N B ASN A 1 303 ? -17.426 8.629 -11.778 0.44 13.76 ? 293 ASN A N 1 +ATOM 5072 C CA A ASN A 1 303 ? -18.610 8.647 -12.684 0.56 14.88 ? 293 ASN A CA 1 +ATOM 5073 C CA B ASN A 1 303 ? -18.596 8.635 -12.625 0.44 13.56 ? 293 ASN A CA 1 +ATOM 5074 C C A ASN A 1 303 ? -19.930 8.386 -11.967 0.56 13.98 ? 293 ASN A C 1 +ATOM 5075 C C B ASN A 1 303 ? -19.851 8.484 -11.779 0.44 13.59 ? 293 ASN A C 1 +ATOM 5076 O O A ASN A 1 303 ? -20.182 7.278 -11.461 0.56 14.74 ? 293 ASN A O 1 +ATOM 5077 O O B ASN A 1 303 ? -19.958 7.566 -10.962 0.44 14.63 ? 293 ASN A O 1 +ATOM 5078 C CB A ASN A 1 303 ? -18.372 7.607 -13.776 0.56 14.30 ? 293 ASN A CB 1 +ATOM 5079 C CB B ASN A 1 303 ? -18.508 7.482 -13.616 0.44 20.63 ? 293 ASN A CB 1 +ATOM 5080 C CG A ASN A 1 303 ? -19.485 7.557 -14.805 0.56 30.06 ? 293 ASN A CG 1 +ATOM 5081 C CG B ASN A 1 303 ? -19.538 7.596 -14.689 0.44 13.54 ? 293 ASN A CG 1 +ATOM 5082 O OD1 A ASN A 1 303 ? -20.399 8.396 -14.799 0.56 16.49 ? 293 ASN A OD1 1 +ATOM 5083 O OD1 B ASN A 1 303 ? -20.670 7.361 -14.457 0.44 14.55 ? 293 ASN A OD1 1 +ATOM 5084 N ND2 A ASN A 1 303 ? -19.394 6.572 -15.725 0.56 17.46 ? 293 ASN A ND2 1 +ATOM 5085 N ND2 B ASN A 1 303 ? -19.123 8.029 -15.851 0.44 23.14 ? 293 ASN A ND2 1 +ATOM 5086 H H A ASN A 1 303 ? -17.106 7.840 -11.690 0.56 19.93 ? 293 ASN A H 1 +ATOM 5087 H H B ASN A 1 303 ? -16.948 7.916 -11.828 0.44 16.51 ? 293 ASN A H 1 +ATOM 5088 H HA A ASN A 1 303 ? -18.661 9.532 -13.078 0.56 17.86 ? 293 ASN A HA 1 +ATOM 5089 H HA B ASN A 1 303 ? -18.648 9.472 -13.112 0.44 16.27 ? 293 ASN A HA 1 +ATOM 5090 H HB2 A ASN A 1 303 ? -17.547 7.821 -14.239 0.56 17.16 ? 293 ASN A HB2 1 +ATOM 5091 H HB2 B ASN A 1 303 ? -17.632 7.485 -14.033 0.44 24.76 ? 293 ASN A HB2 1 +ATOM 5092 H HB3 A ASN A 1 303 ? -18.305 6.731 -13.366 0.56 17.16 ? 293 ASN A HB3 1 +ATOM 5093 H HB3 B ASN A 1 303 ? -18.648 6.645 -13.147 0.44 24.76 ? 293 ASN A HB3 1 +ATOM 5094 H HD21 A ASN A 1 303 ? -19.996 6.494 -16.333 0.56 20.96 ? 293 ASN A HD21 1 +ATOM 5095 H HD21 B ASN A 1 303 ? -19.678 8.113 -16.502 0.44 27.77 ? 293 ASN A HD21 1 +ATOM 5096 H HD22 A ASN A 1 303 ? -18.733 6.022 -15.702 0.56 20.96 ? 293 ASN A HD22 1 +ATOM 5097 H HD22 B ASN A 1 303 ? -18.294 8.230 -15.963 0.44 27.77 ? 293 ASN A HD22 1 +ATOM 5098 N N . TRP A 1 304 ? -20.783 9.394 -11.958 1.00 14.13 ? 294 TRP A N 1 +ATOM 5099 C CA . TRP A 1 304 ? -22.063 9.365 -11.289 1.00 14.25 ? 294 TRP A CA 1 +ATOM 5100 C C . TRP A 1 304 ? -23.214 9.284 -12.274 1.00 15.21 ? 294 TRP A C 1 +ATOM 5101 O O . TRP A 1 304 ? -24.363 9.541 -11.928 1.00 18.27 ? 294 TRP A O 1 +ATOM 5102 C CB . TRP A 1 304 ? -22.130 10.597 -10.354 1.00 14.60 ? 294 TRP A CB 1 +ATOM 5103 C CG . TRP A 1 304 ? -23.199 10.535 -9.304 1.00 15.25 ? 294 TRP A CG 1 +ATOM 5104 C CD1 . TRP A 1 304 ? -24.300 11.274 -9.209 1.00 15.45 ? 294 TRP A CD1 1 +ATOM 5105 C CD2 . TRP A 1 304 ? -23.216 9.624 -8.195 1.00 15.55 ? 294 TRP A CD2 1 +ATOM 5106 N NE1 . TRP A 1 304 ? -25.027 10.897 -8.077 1.00 17.37 ? 294 TRP A NE1 1 +ATOM 5107 C CE2 . TRP A 1 304 ? -24.352 9.906 -7.431 1.00 17.12 ? 294 TRP A CE2 1 +ATOM 5108 C CE3 . TRP A 1 304 ? -22.337 8.633 -7.764 1.00 15.77 ? 294 TRP A CE3 1 +ATOM 5109 C CZ2 . TRP A 1 304 ? -24.627 9.227 -6.252 1.00 18.83 ? 294 TRP A CZ2 1 +ATOM 5110 C CZ3 . TRP A 1 304 ? -22.636 7.956 -6.586 1.00 18.62 ? 294 TRP A CZ3 1 +ATOM 5111 C CH2 . TRP A 1 304 ? -23.747 8.279 -5.848 1.00 18.31 ? 294 TRP A CH2 1 +ATOM 5112 H H A TRP A 1 304 ? -20.633 10.142 -12.354 0.56 16.95 ? 294 TRP A H 1 +ATOM 5113 H H B TRP A 1 304 ? -20.695 10.067 -12.486 0.44 16.95 ? 294 TRP A H 1 +ATOM 5114 H HA . TRP A 1 304 ? -22.162 8.574 -10.735 1.00 17.10 ? 294 TRP A HA 1 +ATOM 5115 H HB2 . TRP A 1 304 ? -21.278 10.684 -9.897 1.00 17.52 ? 294 TRP A HB2 1 +ATOM 5116 H HB3 . TRP A 1 304 ? -22.298 11.385 -10.895 1.00 17.52 ? 294 TRP A HB3 1 +ATOM 5117 H HD1 . TRP A 1 304 ? -24.549 11.941 -9.806 1.00 18.54 ? 294 TRP A HD1 1 +ATOM 5118 H HE1 . TRP A 1 304 ? -25.778 11.236 -7.829 1.00 20.85 ? 294 TRP A HE1 1 +ATOM 5119 H HE3 . TRP A 1 304 ? -21.570 8.431 -8.250 1.00 18.93 ? 294 TRP A HE3 1 +ATOM 5120 H HZ2 . TRP A 1 304 ? -25.391 9.417 -5.756 1.00 22.60 ? 294 TRP A HZ2 1 +ATOM 5121 H HZ3 . TRP A 1 304 ? -22.075 7.273 -6.295 1.00 22.34 ? 294 TRP A HZ3 1 +ATOM 5122 H HH2 . TRP A 1 304 ? -23.900 7.834 -5.046 1.00 21.97 ? 294 TRP A HH2 1 +ATOM 5123 N N . THR A 1 305 ? -22.960 8.942 -13.511 1.00 14.82 ? 295 THR A N 1 +ATOM 5124 C CA . THR A 1 305 ? -24.058 8.792 -14.462 1.00 14.69 ? 295 THR A CA 1 +ATOM 5125 C C . THR A 1 305 ? -24.893 7.553 -14.085 1.00 15.20 ? 295 THR A C 1 +ATOM 5126 O O . THR A 1 305 ? -24.325 6.484 -13.817 1.00 15.53 ? 295 THR A O 1 +ATOM 5127 C CB . THR A 1 305 ? -23.483 8.584 -15.862 1.00 14.54 ? 295 THR A CB 1 +ATOM 5128 O OG1 . THR A 1 305 ? -22.582 9.663 -16.143 1.00 14.23 ? 295 THR A OG1 1 +ATOM 5129 C CG2 . THR A 1 305 ? -24.555 8.544 -16.912 1.00 15.29 ? 295 THR A CG2 1 +ATOM 5130 H H . THR A 1 305 ? -22.177 8.791 -13.833 1.00 17.78 ? 295 THR A H 1 +ATOM 5131 H HA . THR A 1 305 ? -24.621 9.582 -14.449 1.00 17.63 ? 295 THR A HA 1 +ATOM 5132 H HB . THR A 1 305 ? -23.022 7.731 -15.896 1.00 17.45 ? 295 THR A HB 1 +ATOM 5133 H HG1 . THR A 1 305 ? -21.926 9.633 -15.620 1.00 17.08 ? 295 THR A HG1 1 +ATOM 5134 H HG21 . THR A 1 305 ? -24.153 8.503 -17.794 1.00 18.35 ? 295 THR A HG21 1 +ATOM 5135 H HG22 . THR A 1 305 ? -25.115 7.763 -16.785 1.00 18.35 ? 295 THR A HG22 1 +ATOM 5136 H HG23 . THR A 1 305 ? -25.106 9.340 -16.854 1.00 18.35 ? 295 THR A HG23 1 +ATOM 5137 N N . PRO A 1 306 ? -26.197 7.649 -14.022 1.00 15.67 ? 296 PRO A N 1 +ATOM 5138 C CA . PRO A 1 306 ? -26.985 6.502 -13.567 1.00 16.30 ? 296 PRO A CA 1 +ATOM 5139 C C . PRO A 1 306 ? -27.216 5.476 -14.674 1.00 16.68 ? 296 PRO A C 1 +ATOM 5140 O O . PRO A 1 306 ? -27.173 5.790 -15.898 1.00 16.87 ? 296 PRO A O 1 +ATOM 5141 C CB . PRO A 1 306 ? -28.307 7.143 -13.109 1.00 18.73 ? 296 PRO A CB 1 +ATOM 5142 C CG . PRO A 1 306 ? -28.434 8.370 -14.040 1.00 18.72 ? 296 PRO A CG 1 +ATOM 5143 C CD . PRO A 1 306 ? -27.010 8.859 -14.196 1.00 15.94 ? 296 PRO A CD 1 +ATOM 5144 H HA . PRO A 1 306 ? -26.554 6.065 -12.815 1.00 19.56 ? 296 PRO A HA 1 +ATOM 5145 H HB2 . PRO A 1 306 ? -29.044 6.524 -13.234 1.00 22.47 ? 296 PRO A HB2 1 +ATOM 5146 H HB3 . PRO A 1 306 ? -28.251 7.408 -12.178 1.00 22.47 ? 296 PRO A HB3 1 +ATOM 5147 H HG2 . PRO A 1 306 ? -28.809 8.104 -14.895 1.00 22.46 ? 296 PRO A HG2 1 +ATOM 5148 H HG3 . PRO A 1 306 ? -28.994 9.046 -13.628 1.00 22.46 ? 296 PRO A HG3 1 +ATOM 5149 H HD2 . PRO A 1 306 ? -26.873 9.240 -15.077 1.00 19.12 ? 296 PRO A HD2 1 +ATOM 5150 H HD3 . PRO A 1 306 ? -26.797 9.515 -13.514 1.00 19.12 ? 296 PRO A HD3 1 +ATOM 5151 N N . SER A 1 307 ? -27.491 4.242 -14.263 1.00 17.22 ? 297 SER A N 1 +ATOM 5152 C CA . SER A 1 307 ? -28.104 3.269 -15.135 1.00 17.84 ? 297 SER A CA 1 +ATOM 5153 C C . SER A 1 307 ? -29.438 3.830 -15.586 1.00 18.48 ? 297 SER A C 1 +ATOM 5154 O O . SER A 1 307 ? -30.138 4.481 -14.798 1.00 20.74 ? 297 SER A O 1 +ATOM 5155 C CB . SER A 1 307 ? -28.398 1.987 -14.352 1.00 21.77 ? 297 SER A CB 1 +ATOM 5156 O OG . SER A 1 307 ? -27.220 1.477 -13.820 1.00 26.42 ? 297 SER A OG 1 +ATOM 5157 H H . SER A 1 307 ? -27.328 3.946 -13.473 1.00 20.66 ? 297 SER A H 1 +ATOM 5158 H HA . SER A 1 307 ? -27.526 3.072 -15.888 1.00 21.41 ? 297 SER A HA 1 +ATOM 5159 H HB2 . SER A 1 307 ? -29.014 2.187 -13.630 1.00 26.12 ? 297 SER A HB2 1 +ATOM 5160 H HB3 . SER A 1 307 ? -28.789 1.330 -14.949 1.00 26.12 ? 297 SER A HB3 1 +ATOM 5161 H HG . SER A 1 307 ? -26.669 1.326 -14.435 1.00 31.70 ? 297 SER A HG 1 +ATOM 5162 N N . PRO A 1 308 ? -29.875 3.548 -16.803 1.00 18.81 ? 298 PRO A N 1 +ATOM 5163 C CA . PRO A 1 308 ? -29.287 2.691 -17.843 1.00 19.51 ? 298 PRO A CA 1 +ATOM 5164 C C . PRO A 1 308 ? -28.384 3.456 -18.794 1.00 19.19 ? 298 PRO A C 1 +ATOM 5165 O O . PRO A 1 308 ? -27.996 2.926 -19.874 1.00 21.47 ? 298 PRO A O 1 +ATOM 5166 C CB . PRO A 1 308 ? -30.524 2.185 -18.561 1.00 22.74 ? 298 PRO A CB 1 +ATOM 5167 C CG . PRO A 1 308 ? -31.385 3.414 -18.625 1.00 21.38 ? 298 PRO A CG 1 +ATOM 5168 C CD . PRO A 1 308 ? -31.225 4.003 -17.202 1.00 20.72 ? 298 PRO A CD 1 +ATOM 5169 H HA . PRO A 1 308 ? -28.787 1.953 -17.461 1.00 23.41 ? 298 PRO A HA 1 +ATOM 5170 H HB2 . PRO A 1 308 ? -30.296 1.863 -19.447 1.00 27.28 ? 298 PRO A HB2 1 +ATOM 5171 H HB3 . PRO A 1 308 ? -30.949 1.479 -18.050 1.00 27.28 ? 298 PRO A HB3 1 +ATOM 5172 H HG2 . PRO A 1 308 ? -31.057 4.025 -19.303 1.00 25.65 ? 298 PRO A HG2 1 +ATOM 5173 H HG3 . PRO A 1 308 ? -32.307 3.176 -18.810 1.00 25.65 ? 298 PRO A HG3 1 +ATOM 5174 H HD2 . PRO A 1 308 ? -31.272 4.972 -17.221 1.00 24.86 ? 298 PRO A HD2 1 +ATOM 5175 H HD3 . PRO A 1 308 ? -31.901 3.650 -16.603 1.00 24.86 ? 298 PRO A HD3 1 +ATOM 5176 N N . TYR A 1 309 ? -28.048 4.695 -18.476 1.00 17.40 ? 299 TYR A N 1 +ATOM 5177 C CA . TYR A 1 309 ? -27.313 5.569 -19.376 1.00 17.41 ? 299 TYR A CA 1 +ATOM 5178 C C . TYR A 1 309 ? -25.840 5.370 -19.284 1.00 17.30 ? 299 TYR A C 1 +ATOM 5179 O O . TYR A 1 309 ? -25.127 5.583 -20.297 1.00 17.71 ? 299 TYR A O 1 +ATOM 5180 C CB . TYR A 1 309 ? -27.624 7.062 -19.091 1.00 16.55 ? 299 TYR A CB 1 +ATOM 5181 C CG . TYR A 1 309 ? -29.097 7.333 -18.949 1.00 17.95 ? 299 TYR A CG 1 +ATOM 5182 C CD1 . TYR A 1 309 ? -29.976 7.055 -19.948 1.00 19.37 ? 299 TYR A CD1 1 +ATOM 5183 C CD2 . TYR A 1 309 ? -29.591 7.860 -17.755 1.00 19.64 ? 299 TYR A CD2 1 +ATOM 5184 C CE1 . TYR A 1 309 ? -31.362 7.307 -19.788 1.00 20.15 ? 299 TYR A CE1 1 +ATOM 5185 C CE2 . TYR A 1 309 ? -30.955 8.118 -17.600 1.00 20.31 ? 299 TYR A CE2 1 +ATOM 5186 C CZ . TYR A 1 309 ? -31.798 7.858 -18.612 1.00 20.09 ? 299 TYR A CZ 1 +ATOM 5187 O OH . TYR A 1 309 ? -33.136 8.094 -18.468 1.00 25.16 ? 299 TYR A OH 1 +ATOM 5188 H H . TYR A 1 309 ? -28.237 5.066 -17.723 1.00 20.88 ? 299 TYR A H 1 +ATOM 5189 H HA . TYR A 1 309 ? -27.608 5.362 -20.277 1.00 20.89 ? 299 TYR A HA 1 +ATOM 5190 H HB2 . TYR A 1 309 ? -27.189 7.322 -18.264 1.00 19.86 ? 299 TYR A HB2 1 +ATOM 5191 H HB3 . TYR A 1 309 ? -27.289 7.600 -19.826 1.00 19.86 ? 299 TYR A HB3 1 +ATOM 5192 H HD1 . TYR A 1 309 ? -29.664 6.695 -20.747 1.00 23.24 ? 299 TYR A HD1 1 +ATOM 5193 H HD2 . TYR A 1 309 ? -29.005 8.042 -17.056 1.00 23.56 ? 299 TYR A HD2 1 +ATOM 5194 H HE1 . TYR A 1 309 ? -31.963 7.102 -20.467 1.00 24.18 ? 299 TYR A HE1 1 +ATOM 5195 H HE2 . TYR A 1 309 ? -31.277 8.468 -16.800 1.00 24.37 ? 299 TYR A HE2 1 +ATOM 5196 H HH . TYR A 1 309 ? -33.288 8.436 -17.716 1.00 30.20 ? 299 TYR A HH 1 +ATOM 5197 N N . ARG A 1 310 ? -25.307 5.006 -18.114 1.00 16.47 ? 300 ARG A N 1 +ATOM 5198 C CA . ARG A 1 310 ? -23.862 5.016 -17.918 1.00 17.46 ? 300 ARG A CA 1 +ATOM 5199 C C . ARG A 1 310 ? -23.140 4.226 -18.985 1.00 16.92 ? 300 ARG A C 1 +ATOM 5200 O O . ARG A 1 310 ? -22.094 4.662 -19.470 1.00 17.43 ? 300 ARG A O 1 +ATOM 5201 C CB . ARG A 1 310 ? -23.461 4.580 -16.489 1.00 18.08 ? 300 ARG A CB 1 +ATOM 5202 C CG . ARG A 1 310 ? -23.861 3.226 -16.118 1.00 19.90 ? 300 ARG A CG 1 +ATOM 5203 C CD . ARG A 1 310 ? -23.384 2.855 -14.689 1.00 22.89 ? 300 ARG A CD 1 +ATOM 5204 N NE . ARG A 1 310 ? -23.852 1.494 -14.415 1.00 26.31 ? 300 ARG A NE 1 +ATOM 5205 C CZ . ARG A 1 310 ? -23.528 0.760 -13.349 1.00 69.15 ? 300 ARG A CZ 1 +ATOM 5206 N NH1 . ARG A 1 310 ? -22.671 1.216 -12.480 1.00 30.14 ? 300 ARG A NH1 1 +ATOM 5207 N NH2 . ARG A 1 310 ? -24.040 -0.446 -13.169 1.00 34.75 ? 300 ARG A NH2 1 +ATOM 5208 H H . ARG A 1 310 ? -25.757 4.751 -17.427 1.00 19.77 ? 300 ARG A H 1 +ATOM 5209 H HA . ARG A 1 310 ? -23.569 5.937 -17.998 1.00 20.95 ? 300 ARG A HA 1 +ATOM 5210 H HB2 . ARG A 1 310 ? -22.495 4.627 -16.415 1.00 21.70 ? 300 ARG A HB2 1 +ATOM 5211 H HB3 . ARG A 1 310 ? -23.873 5.188 -15.856 1.00 21.70 ? 300 ARG A HB3 1 +ATOM 5212 H HG2 . ARG A 1 310 ? -24.829 3.161 -16.142 1.00 23.88 ? 300 ARG A HG2 1 +ATOM 5213 H HG3 . ARG A 1 310 ? -23.471 2.594 -16.742 1.00 23.88 ? 300 ARG A HG3 1 +ATOM 5214 H HD2 . ARG A 1 310 ? -22.415 2.879 -14.641 1.00 27.47 ? 300 ARG A HD2 1 +ATOM 5215 H HD3 . ARG A 1 310 ? -23.764 3.465 -14.038 1.00 27.47 ? 300 ARG A HD3 1 +ATOM 5216 H HE . ARG A 1 310 ? -24.381 1.137 -14.991 1.00 31.58 ? 300 ARG A HE 1 +ATOM 5217 H HH11 . ARG A 1 310 ? -22.314 1.990 -12.593 1.00 36.17 ? 300 ARG A HH11 1 +ATOM 5218 H HH12 . ARG A 1 310 ? -22.462 0.744 -11.792 1.00 36.17 ? 300 ARG A HH12 1 +ATOM 5219 H HH21 . ARG A 1 310 ? -24.591 -0.768 -13.745 1.00 41.69 ? 300 ARG A HH21 1 +ATOM 5220 H HH22 . ARG A 1 310 ? -23.822 -0.907 -12.477 1.00 41.69 ? 300 ARG A HH22 1 +ATOM 5221 N N . GLN A 1 311 ? -23.622 3.035 -19.295 1.00 17.02 ? 301 GLN A N 1 +ATOM 5222 C CA . GLN A 1 311 ? -22.952 2.165 -20.232 1.00 18.40 ? 301 GLN A CA 1 +ATOM 5223 C C . GLN A 1 311 ? -22.954 2.708 -21.637 1.00 18.92 ? 301 GLN A C 1 +ATOM 5224 O O . GLN A 1 311 ? -22.175 2.216 -22.480 1.00 20.56 ? 301 GLN A O 1 +ATOM 5225 C CB . GLN A 1 311 ? -23.554 0.763 -20.219 1.00 20.57 ? 301 GLN A CB 1 +ATOM 5226 C CG . GLN A 1 311 ? -24.981 0.661 -20.525 1.00 24.20 ? 301 GLN A CG 1 +ATOM 5227 C CD . GLN A 1 311 ? -25.849 0.582 -19.299 1.00 63.45 ? 301 GLN A CD 1 +ATOM 5228 O OE1 . GLN A 1 311 ? -25.677 1.347 -18.358 1.00 25.71 ? 301 GLN A OE1 1 +ATOM 5229 N NE2 . GLN A 1 311 ? -26.802 -0.349 -19.310 1.00 33.54 ? 301 GLN A NE2 1 +ATOM 5230 H H . GLN A 1 311 ? -24.347 2.705 -18.970 1.00 20.42 ? 301 GLN A H 1 +ATOM 5231 H HA . GLN A 1 311 ? -22.030 2.084 -19.942 1.00 22.08 ? 301 GLN A HA 1 +ATOM 5232 H HB2 . GLN A 1 311 ? -23.083 0.227 -20.877 1.00 24.69 ? 301 GLN A HB2 1 +ATOM 5233 H HB3 . GLN A 1 311 ? -23.426 0.388 -19.334 1.00 24.69 ? 301 GLN A HB3 1 +ATOM 5234 H HG2 . GLN A 1 311 ? -25.250 1.445 -21.030 1.00 29.04 ? 301 GLN A HG2 1 +ATOM 5235 H HG3 . GLN A 1 311 ? -25.134 -0.140 -21.050 1.00 29.04 ? 301 GLN A HG3 1 +ATOM 5236 H HE21 . GLN A 1 311 ? -26.894 -0.863 -19.993 1.00 40.24 ? 301 GLN A HE21 1 +ATOM 5237 H HE22 . GLN A 1 311 ? -27.326 -0.435 -18.633 1.00 40.24 ? 301 GLN A HE22 1 +ATOM 5238 N N . LEU A 1 312 ? -23.787 3.697 -21.933 1.00 16.42 ? 302 LEU A N 1 +ATOM 5239 C CA . LEU A 1 312 ? -23.895 4.255 -23.284 1.00 16.46 ? 302 LEU A CA 1 +ATOM 5240 C C . LEU A 1 312 ? -22.960 5.443 -23.500 1.00 15.77 ? 302 LEU A C 1 +ATOM 5241 O O . LEU A 1 312 ? -22.830 5.890 -24.672 1.00 15.80 ? 302 LEU A O 1 +ATOM 5242 C CB . LEU A 1 312 ? -25.346 4.678 -23.576 1.00 16.90 ? 302 LEU A CB 1 +ATOM 5243 C CG . LEU A 1 312 ? -26.331 3.569 -23.443 1.00 17.68 ? 302 LEU A CG 1 +ATOM 5244 C CD1 . LEU A 1 312 ? -27.744 4.090 -23.676 1.00 19.23 ? 302 LEU A CD1 1 +ATOM 5245 C CD2 . LEU A 1 312 ? -26.021 2.488 -24.407 1.00 20.07 ? 302 LEU A CD2 1 +ATOM 5246 H H . LEU A 1 312 ? -24.311 4.072 -21.363 1.00 19.70 ? 302 LEU A H 1 +ATOM 5247 H HA . LEU A 1 312 ? -23.662 3.567 -23.927 1.00 19.75 ? 302 LEU A HA 1 +ATOM 5248 H HB2 . LEU A 1 312 ? -25.599 5.376 -22.951 1.00 20.28 ? 302 LEU A HB2 1 +ATOM 5249 H HB3 . LEU A 1 312 ? -25.396 5.013 -24.485 1.00 20.28 ? 302 LEU A HB3 1 +ATOM 5250 H HG . LEU A 1 312 ? -26.280 3.204 -22.546 1.00 21.22 ? 302 LEU A HG 1 +ATOM 5251 H HD11 . LEU A 1 312 ? -28.371 3.356 -23.578 1.00 23.07 ? 302 LEU A HD11 1 +ATOM 5252 H HD12 . LEU A 1 312 ? -27.939 4.780 -23.023 1.00 23.07 ? 302 LEU A HD12 1 +ATOM 5253 H HD13 . LEU A 1 312 ? -27.802 4.457 -24.572 1.00 23.07 ? 302 LEU A HD13 1 +ATOM 5254 H HD21 . LEU A 1 312 ? -26.784 1.892 -24.469 1.00 24.08 ? 302 LEU A HD21 1 +ATOM 5255 H HD22 . LEU A 1 312 ? -25.836 2.881 -25.274 1.00 24.08 ? 302 LEU A HD22 1 +ATOM 5256 H HD23 . LEU A 1 312 ? -25.244 1.998 -24.093 1.00 24.08 ? 302 LEU A HD23 1 +ATOM 5257 N N . TYR A 1 313 ? -22.289 5.956 -22.488 1.00 15.68 ? 303 TYR A N 1 +ATOM 5258 C CA . TYR A 1 313 ? -21.380 7.093 -22.681 1.00 14.66 ? 303 TYR A CA 1 +ATOM 5259 C C . TYR A 1 313 ? -20.004 6.561 -23.031 1.00 14.47 ? 303 TYR A C 1 +ATOM 5260 O O . TYR A 1 313 ? -19.031 6.683 -22.300 1.00 15.10 ? 303 TYR A O 1 +ATOM 5261 C CB . TYR A 1 313 ? -21.397 8.018 -21.480 1.00 15.60 ? 303 TYR A CB 1 +ATOM 5262 C CG . TYR A 1 313 ? -20.821 9.362 -21.745 1.00 13.97 ? 303 TYR A CG 1 +ATOM 5263 C CD1 . TYR A 1 313 ? -21.552 10.386 -22.332 1.00 13.97 ? 303 TYR A CD1 1 +ATOM 5264 C CD2 . TYR A 1 313 ? -19.541 9.635 -21.317 1.00 15.45 ? 303 TYR A CD2 1 +ATOM 5265 C CE1 . TYR A 1 313 ? -21.018 11.640 -22.503 1.00 13.67 ? 303 TYR A CE1 1 +ATOM 5266 C CE2 . TYR A 1 313 ? -19.020 10.894 -21.476 1.00 16.97 ? 303 TYR A CE2 1 +ATOM 5267 C CZ . TYR A 1 313 ? -19.748 11.872 -22.017 1.00 16.39 ? 303 TYR A CZ 1 +ATOM 5268 O OH . TYR A 1 313 ? -19.292 13.169 -22.168 1.00 19.86 ? 303 TYR A OH 1 +ATOM 5269 H H . TYR A 1 313 ? -22.337 5.672 -21.678 1.00 18.82 ? 303 TYR A H 1 +ATOM 5270 H HA . TYR A 1 313 ? -21.682 7.629 -23.431 1.00 17.60 ? 303 TYR A HA 1 +ATOM 5271 H HB2 . TYR A 1 313 ? -22.316 8.142 -21.196 1.00 18.72 ? 303 TYR A HB2 1 +ATOM 5272 H HB3 . TYR A 1 313 ? -20.881 7.611 -20.766 1.00 18.72 ? 303 TYR A HB3 1 +ATOM 5273 H HD1 . TYR A 1 313 ? -22.422 10.219 -22.615 1.00 16.76 ? 303 TYR A HD1 1 +ATOM 5274 H HD2 . TYR A 1 313 ? -19.030 8.966 -20.922 1.00 18.54 ? 303 TYR A HD2 1 +ATOM 5275 H HE1 . TYR A 1 313 ? -21.498 12.311 -22.932 1.00 16.40 ? 303 TYR A HE1 1 +ATOM 5276 H HE2 . TYR A 1 313 ? -18.149 11.068 -21.202 1.00 20.36 ? 303 TYR A HE2 1 +ATOM 5277 H HH . TYR A 1 313 ? -18.545 13.256 -21.794 1.00 23.84 ? 303 TYR A HH 1 +ATOM 5278 N N . GLN A 1 314 ? -19.969 5.960 -24.216 1.00 14.85 ? 304 GLN A N 1 +ATOM 5279 C CA . GLN A 1 314 ? -18.878 5.075 -24.626 1.00 17.33 ? 304 GLN A CA 1 +ATOM 5280 C C . GLN A 1 314 ? -17.781 5.827 -25.386 1.00 15.71 ? 304 GLN A C 1 +ATOM 5281 O O . GLN A 1 314 ? -17.565 5.592 -26.577 1.00 16.47 ? 304 GLN A O 1 +ATOM 5282 C CB A GLN A 1 314 ? -19.400 3.855 -25.415 0.79 17.21 ? 304 GLN A CB 1 +ATOM 5283 C CG A GLN A 1 314 ? -20.194 2.877 -24.616 0.79 24.87 ? 304 GLN A CG 1 +ATOM 5284 C CD A GLN A 1 314 ? -20.661 1.688 -25.458 0.79 73.53 ? 304 GLN A CD 1 +ATOM 5285 O OE1 A GLN A 1 314 ? -20.007 1.285 -26.416 0.79 32.47 ? 304 GLN A OE1 1 +ATOM 5286 N NE2 A GLN A 1 314 ? -21.806 1.131 -25.100 0.79 31.79 ? 304 GLN A NE2 1 +ATOM 5287 H H . GLN A 1 314 ? -20.579 6.050 -24.816 1.00 17.81 ? 304 GLN A H 1 +ATOM 5288 H HA . GLN A 1 314 ? -18.475 4.736 -23.812 1.00 20.79 ? 304 GLN A HA 1 +ATOM 5289 H HB2 A GLN A 1 314 ? -19.970 4.174 -26.132 0.79 20.65 ? 304 GLN A HB2 1 +ATOM 5290 H HB3 A GLN A 1 314 ? -18.639 3.379 -25.782 0.79 20.65 ? 304 GLN A HB3 1 +ATOM 5291 H HG2 A GLN A 1 314 ? -19.646 2.538 -23.891 0.79 29.84 ? 304 GLN A HG2 1 +ATOM 5292 H HG3 A GLN A 1 314 ? -20.979 3.321 -24.258 0.79 29.84 ? 304 GLN A HG3 1 +ATOM 5293 H HE21 A GLN A 1 314 ? -22.243 1.441 -24.427 0.79 38.15 ? 304 GLN A HE21 1 +ATOM 5294 H HE22 A GLN A 1 314 ? -22.113 0.460 -25.540 0.79 38.15 ? 304 GLN A HE22 1 +ATOM 5295 N N . LEU A 1 315 ? -17.100 6.765 -24.716 1.00 15.71 ? 305 LEU A N 1 +ATOM 5296 C CA . LEU A 1 315 ? -16.030 7.542 -25.374 1.00 15.41 ? 305 LEU A CA 1 +ATOM 5297 C C . LEU A 1 315 ? -14.989 6.586 -25.921 1.00 16.25 ? 305 LEU A C 1 +ATOM 5298 O O . LEU A 1 315 ? -14.458 6.787 -27.031 1.00 15.31 ? 305 LEU A O 1 +ATOM 5299 C CB . LEU A 1 315 ? -15.346 8.461 -24.376 1.00 15.30 ? 305 LEU A CB 1 +ATOM 5300 C CG . LEU A 1 315 ? -16.209 9.510 -23.675 1.00 15.67 ? 305 LEU A CG 1 +ATOM 5301 C CD1 . LEU A 1 315 ? -15.350 10.234 -22.596 1.00 16.07 ? 305 LEU A CD1 1 +ATOM 5302 C CD2 . LEU A 1 315 ? -16.790 10.509 -24.636 1.00 16.96 ? 305 LEU A CD2 1 +ATOM 5303 H H . LEU A 1 315 ? -17.232 6.972 -23.892 1.00 18.86 ? 305 LEU A H 1 +ATOM 5304 H HA . LEU A 1 315 ? -16.420 8.083 -26.078 1.00 18.49 ? 305 LEU A HA 1 +ATOM 5305 H HB2 . LEU A 1 315 ? -14.958 7.907 -23.681 1.00 18.36 ? 305 LEU A HB2 1 +ATOM 5306 H HB3 . LEU A 1 315 ? -14.647 8.941 -24.847 1.00 18.36 ? 305 LEU A HB3 1 +ATOM 5307 H HG . LEU A 1 315 ? -16.961 9.063 -23.256 1.00 18.80 ? 305 LEU A HG 1 +ATOM 5308 H HD11 . LEU A 1 315 ? -15.900 10.894 -22.145 1.00 19.28 ? 305 LEU A HD11 1 +ATOM 5309 H HD12 . LEU A 1 315 ? -15.028 9.579 -21.957 1.00 19.28 ? 305 LEU A HD12 1 +ATOM 5310 H HD13 . LEU A 1 315 ? -14.599 10.669 -23.030 1.00 19.28 ? 305 LEU A HD13 1 +ATOM 5311 H HD21 . LEU A 1 315 ? -17.342 11.136 -24.144 1.00 20.35 ? 305 LEU A HD21 1 +ATOM 5312 H HD22 . LEU A 1 315 ? -16.066 10.982 -25.076 1.00 20.35 ? 305 LEU A HD22 1 +ATOM 5313 H HD23 . LEU A 1 315 ? -17.327 10.040 -25.293 1.00 20.35 ? 305 LEU A HD23 1 +ATOM 5314 N N . TYR A 1 316 ? -14.673 5.548 -25.152 1.00 14.82 ? 306 TYR A N 1 +ATOM 5315 C CA . TYR A 1 316 ? -13.669 4.543 -25.473 1.00 16.82 ? 306 TYR A CA 1 +ATOM 5316 C C . TYR A 1 316 ? -14.016 3.255 -24.754 1.00 15.90 ? 306 TYR A C 1 +ATOM 5317 O O . TYR A 1 316 ? -14.711 3.276 -23.721 1.00 17.33 ? 306 TYR A O 1 +ATOM 5318 C CB . TYR A 1 316 ? -12.248 5.010 -25.070 1.00 16.15 ? 306 TYR A CB 1 +ATOM 5319 C CG . TYR A 1 316 ? -12.156 5.626 -23.698 1.00 14.71 ? 306 TYR A CG 1 +ATOM 5320 C CD1 . TYR A 1 316 ? -12.046 4.836 -22.566 1.00 16.48 ? 306 TYR A CD1 1 +ATOM 5321 C CD2 . TYR A 1 316 ? -12.173 6.982 -23.535 1.00 14.18 ? 306 TYR A CD2 1 +ATOM 5322 C CE1 . TYR A 1 316 ? -11.970 5.433 -21.302 1.00 15.72 ? 306 TYR A CE1 1 +ATOM 5323 C CE2 . TYR A 1 316 ? -12.120 7.560 -22.279 1.00 15.35 ? 306 TYR A CE2 1 +ATOM 5324 C CZ . TYR A 1 316 ? -12.041 6.764 -21.184 1.00 13.22 ? 306 TYR A CZ 1 +ATOM 5325 O OH . TYR A 1 316 ? -11.957 7.319 -19.915 1.00 16.85 ? 306 TYR A OH 1 +ATOM 5326 H H . TYR A 1 316 ? -15.050 5.395 -24.394 1.00 17.78 ? 306 TYR A H 1 +ATOM 5327 H HA . TYR A 1 316 ? -13.683 4.374 -26.428 1.00 20.18 ? 306 TYR A HA 1 +ATOM 5328 H HB2 . TYR A 1 316 ? -11.655 4.242 -25.086 1.00 19.38 ? 306 TYR A HB2 1 +ATOM 5329 H HB3 . TYR A 1 316 ? -11.948 5.675 -25.710 1.00 19.38 ? 306 TYR A HB3 1 +ATOM 5330 H HD1 . TYR A 1 316 ? -12.022 3.909 -22.646 1.00 19.77 ? 306 TYR A HD1 1 +ATOM 5331 H HD2 . TYR A 1 316 ? -12.223 7.529 -24.286 1.00 17.01 ? 306 TYR A HD2 1 +ATOM 5332 H HE1 . TYR A 1 316 ? -11.870 4.904 -20.543 1.00 18.87 ? 306 TYR A HE1 1 +ATOM 5333 H HE2 . TYR A 1 316 ? -12.138 8.485 -22.187 1.00 18.42 ? 306 TYR A HE2 1 +ATOM 5334 H HH . TYR A 1 316 ? -12.029 8.154 -19.961 1.00 20.21 ? 306 TYR A HH 1 +ATOM 5335 N N . PRO A 1 317 ? -13.536 2.128 -25.241 1.00 17.12 ? 307 PRO A N 1 +ATOM 5336 C CA . PRO A 1 317 ? -13.842 0.847 -24.607 1.00 18.02 ? 307 PRO A CA 1 +ATOM 5337 C C . PRO A 1 317 ? -13.255 0.758 -23.210 1.00 18.07 ? 307 PRO A C 1 +ATOM 5338 O O . PRO A 1 317 ? -12.182 1.317 -22.920 1.00 19.39 ? 307 PRO A O 1 +ATOM 5339 C CB . PRO A 1 317 ? -13.237 -0.198 -25.558 1.00 20.80 ? 307 PRO A CB 1 +ATOM 5340 C CG . PRO A 1 317 ? -12.238 0.542 -26.322 1.00 23.69 ? 307 PRO A CG 1 +ATOM 5341 C CD . PRO A 1 317 ? -12.718 1.944 -26.454 1.00 18.49 ? 307 PRO A CD 1 +ATOM 5342 H HA . PRO A 1 317 ? -14.801 0.708 -24.563 1.00 21.62 ? 307 PRO A HA 1 +ATOM 5343 H HB2 . PRO A 1 317 ? -12.827 -0.914 -25.048 1.00 24.96 ? 307 PRO A HB2 1 +ATOM 5344 H HB3 . PRO A 1 317 ? -13.926 -0.558 -26.139 1.00 24.96 ? 307 PRO A HB3 1 +ATOM 5345 H HG2 . PRO A 1 317 ? -11.392 0.519 -25.848 1.00 28.42 ? 307 PRO A HG2 1 +ATOM 5346 H HG3 . PRO A 1 317 ? -12.139 0.135 -27.197 1.00 28.42 ? 307 PRO A HG3 1 +ATOM 5347 H HD2 . PRO A 1 317 ? -11.974 2.566 -26.468 1.00 22.19 ? 307 PRO A HD2 1 +ATOM 5348 H HD3 . PRO A 1 317 ? -13.256 2.052 -27.254 1.00 22.19 ? 307 PRO A HD3 1 +ATOM 5349 N N . GLY A 1 318 ? -13.971 0.031 -22.367 1.00 19.52 ? 308 GLY A N 1 +ATOM 5350 C CA . GLY A 1 318 ? -13.543 -0.183 -20.986 1.00 19.47 ? 308 GLY A CA 1 +ATOM 5351 C C . GLY A 1 318 ? -13.800 0.961 -20.060 1.00 19.42 ? 308 GLY A C 1 +ATOM 5352 O O . GLY A 1 318 ? -13.447 0.854 -18.878 1.00 19.58 ? 308 GLY A O 1 +ATOM 5353 H H . GLY A 1 318 ? -14.714 -0.353 -22.567 1.00 23.43 ? 308 GLY A H 1 +ATOM 5354 H HA2 . GLY A 1 318 ? -14.007 -0.958 -20.634 1.00 23.37 ? 308 GLY A HA2 1 +ATOM 5355 H HA3 . GLY A 1 318 ? -12.589 -0.358 -20.981 1.00 23.37 ? 308 GLY A HA3 1 +ATOM 5356 N N . LYS A 1 319 ? -14.383 2.061 -20.539 1.00 20.14 ? 309 LYS A N 1 +ATOM 5357 C CA . LYS A 1 319 ? -14.572 3.242 -19.690 1.00 18.89 ? 309 LYS A CA 1 +ATOM 5358 C C . LYS A 1 319 ? -15.468 2.964 -18.500 1.00 21.67 ? 309 LYS A C 1 +ATOM 5359 O O . LYS A 1 319 ? -15.230 3.451 -17.389 1.00 20.12 ? 309 LYS A O 1 +ATOM 5360 C CB . LYS A 1 319 ? -15.172 4.345 -20.494 1.00 17.63 ? 309 LYS A CB 1 +ATOM 5361 C CG . LYS A 1 319 ? -15.379 5.642 -19.676 1.00 18.42 ? 309 LYS A CG 1 +ATOM 5362 C CD . LYS A 1 319 ? -15.923 6.751 -20.479 1.00 20.10 ? 309 LYS A CD 1 +ATOM 5363 C CE . LYS A 1 319 ? -16.266 7.969 -19.631 1.00 19.54 ? 309 LYS A CE 1 +ATOM 5364 N NZ . LYS A 1 319 ? -17.229 7.634 -18.517 1.00 22.39 ? 309 LYS A NZ 1 +ATOM 5365 H H . LYS A 1 319 ? -14.676 2.151 -21.343 1.00 24.17 ? 309 LYS A H 1 +ATOM 5366 H HA . LYS A 1 319 ? -13.701 3.508 -19.358 1.00 22.67 ? 309 LYS A HA 1 +ATOM 5367 H HB2 . LYS A 1 319 ? -14.583 4.550 -21.237 1.00 21.16 ? 309 LYS A HB2 1 +ATOM 5368 H HB3 . LYS A 1 319 ? -16.037 4.059 -20.826 1.00 21.16 ? 309 LYS A HB3 1 +ATOM 5369 H HG2 . LYS A 1 319 ? -16.001 5.464 -18.954 1.00 22.10 ? 309 LYS A HG2 1 +ATOM 5370 H HG3 . LYS A 1 319 ? -14.525 5.927 -19.315 1.00 22.10 ? 309 LYS A HG3 1 +ATOM 5371 H HD2 . LYS A 1 319 ? -15.264 7.020 -21.139 1.00 24.12 ? 309 LYS A HD2 1 +ATOM 5372 H HD3 . LYS A 1 319 ? -16.734 6.455 -20.922 1.00 24.12 ? 309 LYS A HD3 1 +ATOM 5373 H HE2 . LYS A 1 319 ? -15.453 8.319 -19.233 1.00 23.45 ? 309 LYS A HE2 1 +ATOM 5374 H HE3 . LYS A 1 319 ? -16.677 8.644 -20.194 1.00 23.45 ? 309 LYS A HE3 1 +ATOM 5375 H HZ1 . LYS A 1 319 ? -17.493 8.379 -18.109 1.00 26.86 ? 309 LYS A HZ1 1 +ATOM 5376 H HZ2 . LYS A 1 319 ? -17.942 7.217 -18.847 1.00 26.86 ? 309 LYS A HZ2 1 +ATOM 5377 H HZ3 . LYS A 1 319 ? -16.833 7.103 -17.922 1.00 26.86 ? 309 LYS A HZ3 1 +ATOM 5378 N N . ILE A 1 320 ? -16.517 2.178 -18.712 1.00 24.59 ? 310 ILE A N 1 +ATOM 5379 C CA . ILE A 1 320 ? -17.585 1.995 -17.760 1.00 22.85 ? 310 ILE A CA 1 +ATOM 5380 C C . ILE A 1 320 ? -17.492 0.581 -17.212 1.00 24.84 ? 310 ILE A C 1 +ATOM 5381 O O . ILE A 1 320 ? -17.293 -0.355 -17.989 1.00 29.21 ? 310 ILE A O 1 +ATOM 5382 C CB . ILE A 1 320 ? -18.937 2.218 -18.478 1.00 24.18 ? 310 ILE A CB 1 +ATOM 5383 C CG1 . ILE A 1 320 ? -18.993 3.639 -19.055 1.00 32.19 ? 310 ILE A CG1 1 +ATOM 5384 C CG2 . ILE A 1 320 ? -20.087 2.001 -17.498 1.00 26.48 ? 310 ILE A CG2 1 +ATOM 5385 C CD1 . ILE A 1 320 ? -19.090 3.684 -20.578 1.00 31.92 ? 310 ILE A CD1 1 +ATOM 5386 H H . ILE A 1 320 ? -16.629 1.723 -19.434 1.00 29.51 ? 310 ILE A H 1 +ATOM 5387 H HA . ILE A 1 320 ? -17.497 2.609 -17.014 1.00 27.42 ? 310 ILE A HA 1 +ATOM 5388 H HB . ILE A 1 320 ? -19.018 1.581 -19.205 1.00 29.02 ? 310 ILE A HB 1 +ATOM 5389 H HG12 . ILE A 1 320 ? -19.772 4.091 -18.696 1.00 38.62 ? 310 ILE A HG12 1 +ATOM 5390 H HG13 . ILE A 1 320 ? -18.186 4.112 -18.797 1.00 38.62 ? 310 ILE A HG13 1 +ATOM 5391 H HG21 . ILE A 1 320 ? -20.915 2.290 -17.914 1.00 31.77 ? 310 ILE A HG21 1 +ATOM 5392 H HG22 . ILE A 1 320 ? -20.140 1.058 -17.277 1.00 31.77 ? 310 ILE A HG22 1 +ATOM 5393 H HG23 . ILE A 1 320 ? -19.921 2.520 -16.696 1.00 31.77 ? 310 ILE A HG23 1 +ATOM 5394 H HD11 . ILE A 1 320 ? -19.127 4.610 -20.865 1.00 38.30 ? 310 ILE A HD11 1 +ATOM 5395 H HD12 . ILE A 1 320 ? -18.310 3.251 -20.958 1.00 38.30 ? 310 ILE A HD12 1 +ATOM 5396 H HD13 . ILE A 1 320 ? -19.895 3.219 -20.857 1.00 38.30 ? 310 ILE A HD13 1 +ATOM 5397 N N . SER A 1 321 ? -17.602 0.404 -15.902 1.00 22.11 ? 311 SER A N 1 +ATOM 5398 C CA . SER A 1 321 ? -17.868 -0.902 -15.328 1.00 26.14 ? 311 SER A CA 1 +ATOM 5399 C C . SER A 1 321 ? -19.333 -0.976 -14.938 1.00 20.64 ? 311 SER A C 1 +ATOM 5400 O O . SER A 1 321 ? -19.854 -0.039 -14.314 1.00 27.49 ? 311 SER A O 1 +ATOM 5401 C CB . SER A 1 321 ? -17.051 -1.185 -14.068 1.00 24.66 ? 311 SER A CB 1 +ATOM 5402 O OG . SER A 1 321 ? -17.387 -2.461 -13.589 1.00 26.64 ? 311 SER A OG 1 +ATOM 5403 H H . SER A 1 321 ? -17.524 1.033 -15.321 1.00 26.53 ? 311 SER A H 1 +ATOM 5404 H HA . SER A 1 321 ? -17.636 -1.569 -15.993 1.00 31.37 ? 311 SER A HA 1 +ATOM 5405 H HB2 . SER A 1 321 ? -16.105 -1.157 -14.282 1.00 29.59 ? 311 SER A HB2 1 +ATOM 5406 H HB3 . SER A 1 321 ? -17.257 -0.520 -13.392 1.00 29.59 ? 311 SER A HB3 1 +ATOM 5407 H HG . SER A 1 321 ? -16.962 -2.624 -12.883 1.00 31.97 ? 311 SER A HG 1 +ATOM 5408 N N . VAL A 1 322 ? -19.937 -2.097 -15.243 1.00 23.31 ? 312 VAL A N 1 +ATOM 5409 C CA . VAL A 1 322 ? -21.317 -2.340 -14.845 1.00 24.23 ? 312 VAL A CA 1 +ATOM 5410 C C . VAL A 1 322 ? -21.434 -3.435 -13.791 1.00 22.20 ? 312 VAL A C 1 +ATOM 5411 O O . VAL A 1 322 ? -22.501 -3.895 -13.508 1.00 23.10 ? 312 VAL A O 1 +ATOM 5412 C CB . VAL A 1 322 ? -22.224 -2.624 -16.050 1.00 40.40 ? 312 VAL A CB 1 +ATOM 5413 C CG1 . VAL A 1 322 ? -22.410 -1.349 -16.863 1.00 38.25 ? 312 VAL A CG1 1 +ATOM 5414 C CG2 . VAL A 1 322 ? -21.653 -3.767 -16.876 1.00 27.49 ? 312 VAL A CG2 1 +ATOM 5415 H H . VAL A 1 322 ? -19.574 -2.741 -15.682 1.00 27.98 ? 312 VAL A H 1 +ATOM 5416 H HA . VAL A 1 322 ? -21.632 -1.522 -14.430 1.00 29.07 ? 312 VAL A HA 1 +ATOM 5417 H HB . VAL A 1 322 ? -23.103 -2.905 -15.753 1.00 48.47 ? 312 VAL A HB 1 +ATOM 5418 H HG11 . VAL A 1 322 ? -22.988 -1.537 -17.618 1.00 45.91 ? 312 VAL A HG11 1 +ATOM 5419 H HG12 . VAL A 1 322 ? -22.814 -0.671 -16.299 1.00 45.91 ? 312 VAL A HG12 1 +ATOM 5420 H HG13 . VAL A 1 322 ? -21.544 -1.045 -17.176 1.00 45.91 ? 312 VAL A HG13 1 +ATOM 5421 H HG21 . VAL A 1 322 ? -22.284 -3.995 -17.577 1.00 32.99 ? 312 VAL A HG21 1 +ATOM 5422 H HG22 . VAL A 1 322 ? -20.811 -3.485 -17.266 1.00 32.99 ? 312 VAL A HG22 1 +ATOM 5423 H HG23 . VAL A 1 322 ? -21.510 -4.533 -16.298 1.00 32.99 ? 312 VAL A HG23 1 +ATOM 5424 N N . PHE A 1 323 ? -20.310 -3.785 -13.160 1.00 23.98 ? 313 PHE A N 1 +ATOM 5425 C CA . PHE A 1 323 ? -20.310 -4.833 -12.176 1.00 25.04 ? 313 PHE A CA 1 +ATOM 5426 C C . PHE A 1 323 ? -20.889 -4.409 -10.834 1.00 25.55 ? 313 PHE A C 1 +ATOM 5427 O O . PHE A 1 323 ? -21.292 -5.278 -10.057 1.00 31.70 ? 313 PHE A O 1 +ATOM 5428 C CB . PHE A 1 323 ? -18.858 -5.330 -11.995 1.00 31.16 ? 313 PHE A CB 1 +ATOM 5429 C CG . PHE A 1 323 ? -18.690 -6.807 -12.186 1.00 29.22 ? 313 PHE A CG 1 +ATOM 5430 C CD1 . PHE A 1 323 ? -19.032 -7.409 -13.373 1.00 33.80 ? 313 PHE A CD1 1 +ATOM 5431 C CD2 . PHE A 1 323 ? -18.142 -7.577 -11.188 1.00 32.48 ? 313 PHE A CD2 1 +ATOM 5432 C CE1 . PHE A 1 323 ? -18.870 -8.785 -13.528 1.00 36.76 ? 313 PHE A CE1 1 +ATOM 5433 C CE2 . PHE A 1 323 ? -17.981 -8.924 -11.345 1.00 40.01 ? 313 PHE A CE2 1 +ATOM 5434 C CZ . PHE A 1 323 ? -18.351 -9.517 -12.532 1.00 43.86 ? 313 PHE A CZ 1 +ATOM 5435 H H . PHE A 1 323 ? -19.542 -3.422 -13.294 1.00 28.78 ? 313 PHE A H 1 +ATOM 5436 H HA . PHE A 1 323 ? -20.861 -5.567 -12.489 1.00 30.04 ? 313 PHE A HA 1 +ATOM 5437 H HB2 . PHE A 1 323 ? -18.293 -4.883 -12.644 1.00 37.39 ? 313 PHE A HB2 1 +ATOM 5438 H HB3 . PHE A 1 323 ? -18.565 -5.114 -11.096 1.00 37.39 ? 313 PHE A HB3 1 +ATOM 5439 H HD1 . PHE A 1 323 ? -19.372 -6.899 -14.073 1.00 40.56 ? 313 PHE A HD1 1 +ATOM 5440 H HD2 . PHE A 1 323 ? -17.877 -7.175 -10.393 1.00 38.97 ? 313 PHE A HD2 1 +ATOM 5441 H HE1 . PHE A 1 323 ? -19.121 -9.195 -14.323 1.00 44.11 ? 313 PHE A HE1 1 +ATOM 5442 H HE2 . PHE A 1 323 ? -17.624 -9.437 -10.656 1.00 48.01 ? 313 PHE A HE2 1 +ATOM 5443 H HZ . PHE A 1 323 ? -18.241 -10.434 -12.643 1.00 52.63 ? 313 PHE A HZ 1 +ATOM 5444 N N . GLU A 1 324 ? -20.959 -3.110 -10.558 1.00 24.69 ? 314 GLU A N 1 +ATOM 5445 C CA . GLU A 1 324 ? -21.510 -2.624 -9.290 1.00 24.50 ? 314 GLU A CA 1 +ATOM 5446 C C . GLU A 1 324 ? -22.658 -1.640 -9.554 1.00 25.68 ? 314 GLU A C 1 +ATOM 5447 O O . GLU A 1 324 ? -22.822 -1.103 -10.658 1.00 24.92 ? 314 GLU A O 1 +ATOM 5448 C CB . GLU A 1 324 ? -20.437 -1.928 -8.438 1.00 27.86 ? 314 GLU A CB 1 +ATOM 5449 C CG . GLU A 1 324 ? -19.160 -2.751 -8.139 1.00 52.87 ? 314 GLU A CG 1 +ATOM 5450 C CD . GLU A 1 324 ? -19.422 -3.945 -7.245 1.00 83.51 ? 314 GLU A CD 1 +ATOM 5451 O OE1 . GLU A 1 324 ? -20.330 -3.856 -6.393 1.00 102.39 ? 314 GLU A OE1 1 +ATOM 5452 O OE2 . GLU A 1 324 ? -18.723 -4.974 -7.392 1.00 83.86 ? 314 GLU A OE2 1 +ATOM 5453 H H . GLU A 1 324 ? -20.694 -2.487 -11.088 1.00 29.63 ? 314 GLU A H 1 +ATOM 5454 H HA . GLU A 1 324 ? -21.859 -3.381 -8.793 1.00 29.40 ? 314 GLU A HA 1 +ATOM 5455 H HB2 . GLU A 1 324 ? -20.156 -1.124 -8.903 1.00 33.43 ? 314 GLU A HB2 1 +ATOM 5456 H HB3 . GLU A 1 324 ? -20.833 -1.695 -7.584 1.00 33.43 ? 314 GLU A HB3 1 +ATOM 5457 H HG2 . GLU A 1 324 ? -18.794 -3.079 -8.975 1.00 63.44 ? 314 GLU A HG2 1 +ATOM 5458 H HG3 . GLU A 1 324 ? -18.514 -2.180 -7.695 1.00 63.44 ? 314 GLU A HG3 1 +ATOM 5459 N N . LYS A 1 325 ? -23.476 -1.436 -8.531 1.00 25.65 ? 315 LYS A N 1 +ATOM 5460 C CA . LYS A 1 325 ? -24.557 -0.449 -8.595 1.00 25.72 ? 315 LYS A CA 1 +ATOM 5461 C C . LYS A 1 325 ? -24.026 0.953 -8.890 1.00 21.53 ? 315 LYS A C 1 +ATOM 5462 O O . LYS A 1 325 ? -22.887 1.295 -8.589 1.00 21.86 ? 315 LYS A O 1 +ATOM 5463 C CB . LYS A 1 325 ? -25.325 -0.440 -7.254 1.00 31.43 ? 315 LYS A CB 1 +ATOM 5464 C CG . LYS A 1 325 ? -24.549 0.060 -6.041 1.00 73.12 ? 315 LYS A CG 1 +ATOM 5465 C CD . LYS A 1 325 ? -25.355 -0.162 -4.756 1.00 65.48 ? 315 LYS A CD 1 +ATOM 5466 H H . LYS A 1 325 ? -23.431 -1.855 -7.781 1.00 30.78 ? 315 LYS A H 1 +ATOM 5467 H HA . LYS A 1 325 ? -25.163 -0.689 -9.313 1.00 30.86 ? 315 LYS A HA 1 +ATOM 5468 H HB2 . LYS A 1 325 ? -26.101 0.132 -7.353 1.00 37.72 ? 315 LYS A HB2 1 +ATOM 5469 H HB3 . LYS A 1 325 ? -25.605 -1.349 -7.059 1.00 37.72 ? 315 LYS A HB3 1 +ATOM 5470 H HG2 . LYS A 1 325 ? -23.712 -0.424 -5.969 1.00 87.74 ? 315 LYS A HG2 1 +ATOM 5471 H HG3 . LYS A 1 325 ? -24.376 1.010 -6.137 1.00 87.74 ? 315 LYS A HG3 1 +ATOM 5472 N N . ASP A 1 326 ? -24.868 1.794 -9.538 1.00 19.92 ? 316 ASP A N 1 +ATOM 5473 C CA . ASP A 1 326 ? -24.454 3.090 -10.013 1.00 18.30 ? 316 ASP A CA 1 +ATOM 5474 C C . ASP A 1 326 ? -24.228 4.137 -8.931 1.00 19.27 ? 316 ASP A C 1 +ATOM 5475 O O . ASP A 1 326 ? -23.816 5.241 -9.240 1.00 20.65 ? 316 ASP A O 1 +ATOM 5476 C CB . ASP A 1 326 ? -25.371 3.597 -11.129 1.00 17.69 ? 316 ASP A CB 1 +ATOM 5477 C CG . ASP A 1 326 ? -26.736 3.983 -10.663 1.00 18.65 ? 316 ASP A CG 1 +ATOM 5478 O OD1 . ASP A 1 326 ? -26.908 4.285 -9.447 1.00 21.16 ? 316 ASP A OD1 1 +ATOM 5479 O OD2 . ASP A 1 326 ? -27.682 4.022 -11.449 1.00 19.70 ? 316 ASP A OD2 1 +ATOM 5480 H H . ASP A 1 326 ? -25.692 1.615 -9.707 1.00 23.91 ? 316 ASP A H 1 +ATOM 5481 H HA . ASP A 1 326 ? -23.583 2.973 -10.423 1.00 21.96 ? 316 ASP A HA 1 +ATOM 5482 H HB2 . ASP A 1 326 ? -24.966 4.379 -11.535 1.00 21.23 ? 316 ASP A HB2 1 +ATOM 5483 H HB3 . ASP A 1 326 ? -25.473 2.895 -11.791 1.00 21.23 ? 316 ASP A HB3 1 +ATOM 5484 N N . THR A 1 327 ? -24.415 3.789 -7.668 1.00 20.47 ? 317 THR A N 1 +ATOM 5485 C CA . THR A 1 327 ? -24.059 4.685 -6.564 1.00 21.89 ? 317 THR A CA 1 +ATOM 5486 C C . THR A 1 327 ? -22.764 4.293 -5.893 1.00 24.01 ? 317 THR A C 1 +ATOM 5487 O O . THR A 1 327 ? -22.422 4.870 -4.856 1.00 23.85 ? 317 THR A O 1 +ATOM 5488 C CB . THR A 1 327 ? -25.153 4.702 -5.506 1.00 24.67 ? 317 THR A CB 1 +ATOM 5489 O OG1 . THR A 1 327 ? -25.482 3.363 -5.172 1.00 27.53 ? 317 THR A OG1 1 +ATOM 5490 C CG2 . THR A 1 327 ? -26.396 5.400 -6.009 1.00 25.25 ? 317 THR A CG2 1 +ATOM 5491 H H . THR A 1 327 ? -24.749 3.036 -7.417 1.00 24.57 ? 317 THR A H 1 +ATOM 5492 H HA . THR A 1 327 ? -23.971 5.576 -6.935 1.00 26.27 ? 317 THR A HA 1 +ATOM 5493 H HB . THR A 1 327 ? -24.837 5.183 -4.726 1.00 29.61 ? 317 THR A HB 1 +ATOM 5494 H HG1 . THR A 1 327 ? -26.102 3.352 -4.605 1.00 33.03 ? 317 THR A HG1 1 +ATOM 5495 H HG21 . THR A 1 327 ? -27.080 5.395 -5.322 1.00 30.30 ? 317 THR A HG21 1 +ATOM 5496 H HG22 . THR A 1 327 ? -26.190 6.319 -6.241 1.00 30.30 ? 317 THR A HG22 1 +ATOM 5497 H HG23 . THR A 1 327 ? -26.737 4.945 -6.796 1.00 30.30 ? 317 THR A HG23 1 +ATOM 5498 N N . ALA A 1 328 ? -22.009 3.370 -6.455 1.00 18.76 ? 318 ALA A N 1 +ATOM 5499 C CA . ALA A 1 328 ? -20.843 2.860 -5.758 1.00 19.62 ? 318 ALA A CA 1 +ATOM 5500 C C . ALA A 1 328 ? -19.644 3.769 -5.899 1.00 18.27 ? 318 ALA A C 1 +ATOM 5501 O O . ALA A 1 328 ? -18.714 3.686 -5.088 1.00 19.65 ? 318 ALA A O 1 +ATOM 5502 C CB . ALA A 1 328 ? -20.469 1.477 -6.311 1.00 26.21 ? 318 ALA A CB 1 +ATOM 5503 H H . ALA A 1 328 ? -22.148 3.024 -7.230 1.00 22.51 ? 318 ALA A H 1 +ATOM 5504 H HA . ALA A 1 328 ? -21.059 2.774 -4.817 1.00 23.55 ? 318 ALA A HA 1 +ATOM 5505 H HB1 . ALA A 1 328 ? -19.690 1.147 -5.836 1.00 31.46 ? 318 ALA A HB1 1 +ATOM 5506 H HB2 . ALA A 1 328 ? -21.216 0.872 -6.182 1.00 31.46 ? 318 ALA A HB2 1 +ATOM 5507 H HB3 . ALA A 1 328 ? -20.269 1.558 -7.257 1.00 31.46 ? 318 ALA A HB3 1 +ATOM 5508 N N . SER A 1 329 ? -19.561 4.622 -6.929 1.00 18.30 ? 319 SER A N 1 +ATOM 5509 C CA . SER A 1 329 ? -18.293 5.270 -7.242 1.00 17.23 ? 319 SER A CA 1 +ATOM 5510 C C . SER A 1 329 ? -17.842 6.284 -6.188 1.00 17.17 ? 319 SER A C 1 +ATOM 5511 O O . SER A 1 329 ? -16.639 6.365 -5.917 1.00 17.99 ? 319 SER A O 1 +ATOM 5512 C CB . SER A 1 329 ? -18.312 5.978 -8.581 1.00 16.69 ? 319 SER A CB 1 +ATOM 5513 O OG . SER A 1 329 ? -19.320 6.988 -8.530 1.00 19.34 ? 319 SER A OG 1 +ATOM 5514 H H . SER A 1 329 ? -20.214 4.836 -7.447 1.00 21.96 ? 319 SER A H 1 +ATOM 5515 H HA . SER A 1 329 ? -17.657 4.539 -7.279 1.00 20.67 ? 319 SER A HA 1 +ATOM 5516 H HB2 . SER A 1 329 ? -17.448 6.387 -8.747 1.00 20.03 ? 319 SER A HB2 1 +ATOM 5517 H HB3 . SER A 1 329 ? -18.519 5.344 -9.284 1.00 20.03 ? 319 SER A HB3 1 +ATOM 5518 H HG . SER A 1 329 ? -19.361 7.390 -9.267 1.00 23.20 ? 319 SER A HG 1 +ATOM 5519 N N . ILE A 1 330 ? -18.751 7.058 -5.601 1.00 17.95 ? 320 ILE A N 1 +ATOM 5520 C CA . ILE A 1 330 ? -18.299 8.056 -4.626 1.00 16.79 ? 320 ILE A CA 1 +ATOM 5521 C C . ILE A 1 330 ? -17.751 7.360 -3.392 1.00 18.68 ? 320 ILE A C 1 +ATOM 5522 O O . ILE A 1 330 ? -16.625 7.670 -2.977 1.00 17.76 ? 320 ILE A O 1 +ATOM 5523 C CB . ILE A 1 330 ? -19.393 9.109 -4.365 1.00 17.50 ? 320 ILE A CB 1 +ATOM 5524 C CG1 . ILE A 1 330 ? -19.606 9.965 -5.622 1.00 17.26 ? 320 ILE A CG1 1 +ATOM 5525 C CG2 . ILE A 1 330 ? -18.974 10.004 -3.216 1.00 19.47 ? 320 ILE A CG2 1 +ATOM 5526 C CD1 . ILE A 1 330 ? -20.823 10.857 -5.525 1.00 18.92 ? 320 ILE A CD1 1 +ATOM 5527 H H . ILE A 1 330 ? -19.599 7.028 -5.743 1.00 21.54 ? 320 ILE A H 1 +ATOM 5528 H HA . ILE A 1 330 ? -17.541 8.549 -4.978 1.00 20.15 ? 320 ILE A HA 1 +ATOM 5529 H HB . ILE A 1 330 ? -20.219 8.653 -4.142 1.00 21.00 ? 320 ILE A HB 1 +ATOM 5530 H HG12 . ILE A 1 330 ? -18.829 10.531 -5.754 1.00 20.71 ? 320 ILE A HG12 1 +ATOM 5531 H HG13 . ILE A 1 330 ? -19.723 9.380 -6.386 1.00 20.71 ? 320 ILE A HG13 1 +ATOM 5532 H HG21 . ILE A 1 330 ? -19.580 10.759 -3.166 1.00 23.37 ? 320 ILE A HG21 1 +ATOM 5533 H HG22 . ILE A 1 330 ? -19.011 9.496 -2.390 1.00 23.37 ? 320 ILE A HG22 1 +ATOM 5534 H HG23 . ILE A 1 330 ? -18.069 10.316 -3.372 1.00 23.37 ? 320 ILE A HG23 1 +ATOM 5535 H HD11 . ILE A 1 330 ? -21.021 11.218 -6.404 1.00 22.71 ? 320 ILE A HD11 1 +ATOM 5536 H HD12 . ILE A 1 330 ? -21.575 10.333 -5.206 1.00 22.71 ? 320 ILE A HD12 1 +ATOM 5537 H HD13 . ILE A 1 330 ? -20.637 11.580 -4.905 1.00 22.71 ? 320 ILE A HD13 1 +ATOM 5538 N N . PRO A 1 331 ? -18.468 6.397 -2.778 1.00 18.49 ? 321 PRO A N 1 +ATOM 5539 C CA . PRO A 1 331 ? -17.845 5.670 -1.650 1.00 18.55 ? 321 PRO A CA 1 +ATOM 5540 C C . PRO A 1 331 ? -16.558 4.984 -2.046 1.00 20.00 ? 321 PRO A C 1 +ATOM 5541 O O . PRO A 1 331 ? -15.611 4.912 -1.243 1.00 21.27 ? 321 PRO A O 1 +ATOM 5542 C CB . PRO A 1 331 ? -18.927 4.668 -1.240 1.00 23.13 ? 321 PRO A CB 1 +ATOM 5543 C CG . PRO A 1 331 ? -20.183 5.237 -1.751 1.00 24.74 ? 321 PRO A CG 1 +ATOM 5544 C CD . PRO A 1 331 ? -19.890 6.048 -2.958 1.00 18.85 ? 321 PRO A CD 1 +ATOM 5545 H HA . PRO A 1 331 ? -17.679 6.270 -0.906 1.00 22.26 ? 321 PRO A HA 1 +ATOM 5546 H HB2 . PRO A 1 331 ? -18.747 3.805 -1.643 1.00 27.76 ? 321 PRO A HB2 1 +ATOM 5547 H HB3 . PRO A 1 331 ? -18.951 4.585 -0.274 1.00 27.76 ? 321 PRO A HB3 1 +ATOM 5548 H HG2 . PRO A 1 331 ? -20.787 4.512 -1.977 1.00 29.69 ? 321 PRO A HG2 1 +ATOM 5549 H HG3 . PRO A 1 331 ? -20.578 5.796 -1.063 1.00 29.69 ? 321 PRO A HG3 1 +ATOM 5550 H HD2 . PRO A 1 331 ? -20.020 5.527 -3.766 1.00 22.62 ? 321 PRO A HD2 1 +ATOM 5551 H HD3 . PRO A 1 331 ? -20.443 6.845 -2.984 1.00 22.62 ? 321 PRO A HD3 1 +ATOM 5552 N N A SER A 1 332 ? -16.507 4.448 -3.256 0.56 19.79 ? 322 SER A N 1 +ATOM 5553 N N B SER A 1 332 ? -16.441 4.496 -3.281 0.44 20.37 ? 322 SER A N 1 +ATOM 5554 C CA A SER A 1 332 ? -15.303 3.768 -3.692 0.56 20.98 ? 322 SER A CA 1 +ATOM 5555 C CA B SER A 1 332 ? -15.237 3.759 -3.674 0.44 19.27 ? 322 SER A CA 1 +ATOM 5556 C C A SER A 1 332 ? -14.123 4.718 -3.647 0.56 23.17 ? 322 SER A C 1 +ATOM 5557 C C B SER A 1 332 ? -14.028 4.680 -3.830 0.44 16.26 ? 322 SER A C 1 +ATOM 5558 O O A SER A 1 332 ? -13.097 4.395 -3.022 0.56 20.90 ? 322 SER A O 1 +ATOM 5559 O O B SER A 1 332 ? -12.874 4.295 -3.549 0.44 15.88 ? 322 SER A O 1 +ATOM 5560 C CB A SER A 1 332 ? -15.463 3.204 -5.099 0.56 24.07 ? 322 SER A CB 1 +ATOM 5561 C CB B SER A 1 332 ? -15.483 3.030 -4.989 0.44 21.20 ? 322 SER A CB 1 +ATOM 5562 O OG A SER A 1 332 ? -14.279 2.531 -5.479 0.56 23.29 ? 322 SER A OG 1 +ATOM 5563 O OG B SER A 1 332 ? -16.397 1.978 -4.789 0.44 28.67 ? 322 SER A OG 1 +ATOM 5564 H H A SER A 1 332 ? -17.146 4.463 -3.832 0.56 23.75 ? 322 SER A H 1 +ATOM 5565 H H B SER A 1 332 ? -17.033 4.574 -3.900 0.44 24.44 ? 322 SER A H 1 +ATOM 5566 H HA A SER A 1 332 ? -15.144 3.020 -3.096 0.56 25.17 ? 322 SER A HA 1 +ATOM 5567 H HA B SER A 1 332 ? -15.041 3.113 -2.977 0.44 23.12 ? 322 SER A HA 1 +ATOM 5568 H HB2 A SER A 1 332 ? -16.205 2.580 -5.112 0.56 28.88 ? 322 SER A HB2 1 +ATOM 5569 H HB2 B SER A 1 332 ? -15.850 3.653 -5.636 0.44 25.44 ? 322 SER A HB2 1 +ATOM 5570 H HB3 A SER A 1 332 ? -15.631 3.932 -5.719 0.56 28.88 ? 322 SER A HB3 1 +ATOM 5571 H HB3 B SER A 1 332 ? -14.645 2.667 -5.315 0.44 25.44 ? 322 SER A HB3 1 +ATOM 5572 H HG A SER A 1 332 ? -14.361 2.221 -6.255 0.56 27.94 ? 322 SER A HG 1 +ATOM 5573 H HG B SER A 1 332 ? -17.134 2.283 -4.525 0.44 34.40 ? 322 SER A HG 1 +ATOM 5574 N N . VAL A 1 333 ? -14.249 5.892 -4.303 1.00 18.49 ? 323 VAL A N 1 +ATOM 5575 C CA . VAL A 1 333 ? -13.124 6.833 -4.349 1.00 18.01 ? 323 VAL A CA 1 +ATOM 5576 C C . VAL A 1 333 ? -12.791 7.329 -2.952 1.00 18.58 ? 323 VAL A C 1 +ATOM 5577 O O . VAL A 1 333 ? -11.620 7.585 -2.675 1.00 18.77 ? 323 VAL A O 1 +ATOM 5578 C CB . VAL A 1 333 ? -13.245 7.971 -5.382 1.00 17.37 ? 323 VAL A CB 1 +ATOM 5579 C CG1 . VAL A 1 333 ? -13.410 7.427 -6.784 1.00 19.45 ? 323 VAL A CG1 1 +ATOM 5580 C CG2 . VAL A 1 333 ? -14.297 8.915 -5.053 1.00 19.52 ? 323 VAL A CG2 1 +ATOM 5581 H H A VAL A 1 333 ? -14.957 6.154 -4.715 0.56 22.18 ? 323 VAL A H 1 +ATOM 5582 H H B VAL A 1 333 ? -15.002 6.190 -4.592 0.44 22.18 ? 323 VAL A H 1 +ATOM 5583 H HA . VAL A 1 333 ? -12.375 6.320 -4.692 1.00 21.61 ? 323 VAL A HA 1 +ATOM 5584 H HB . VAL A 1 333 ? -12.413 8.469 -5.354 1.00 20.84 ? 323 VAL A HB 1 +ATOM 5585 H HG11 . VAL A 1 333 ? -13.461 8.169 -7.407 1.00 23.34 ? 323 VAL A HG11 1 +ATOM 5586 H HG12 . VAL A 1 333 ? -12.647 6.868 -6.998 1.00 23.34 ? 323 VAL A HG12 1 +ATOM 5587 H HG13 . VAL A 1 333 ? -14.226 6.904 -6.826 1.00 23.34 ? 323 VAL A HG13 1 +ATOM 5588 H HG21 . VAL A 1 333 ? -14.403 9.539 -5.788 1.00 23.42 ? 323 VAL A HG21 1 +ATOM 5589 H HG22 . VAL A 1 333 ? -15.124 8.429 -4.909 1.00 23.42 ? 323 VAL A HG22 1 +ATOM 5590 H HG23 . VAL A 1 333 ? -14.050 9.394 -4.246 1.00 23.42 ? 323 VAL A HG23 1 +ATOM 5591 N N . MET A 1 334 ? -13.763 7.470 -2.070 1.00 18.53 ? 324 MET A N 1 +ATOM 5592 C CA A MET A 1 334 ? -13.414 7.850 -0.705 0.69 21.48 ? 324 MET A CA 1 +ATOM 5593 C CA B MET A 1 334 ? -13.446 7.833 -0.687 0.31 14.97 ? 324 MET A CA 1 +ATOM 5594 C C . MET A 1 334 ? -12.542 6.794 -0.038 1.00 20.99 ? 324 MET A C 1 +ATOM 5595 O O . MET A 1 334 ? -11.567 7.134 0.663 1.00 20.29 ? 324 MET A O 1 +ATOM 5596 C CB A MET A 1 334 ? -14.684 8.131 0.089 0.69 25.64 ? 324 MET A CB 1 +ATOM 5597 C CB B MET A 1 334 ? -14.738 7.951 0.121 0.31 15.87 ? 324 MET A CB 1 +ATOM 5598 C CG A MET A 1 334 ? -15.387 9.377 -0.412 0.69 20.52 ? 324 MET A CG 1 +ATOM 5599 C CG B MET A 1 334 ? -15.628 9.090 -0.286 0.31 23.18 ? 324 MET A CG 1 +ATOM 5600 S SD A MET A 1 334 ? -16.930 9.689 0.457 0.69 25.19 ? 324 MET A SD 1 +ATOM 5601 S SD B MET A 1 334 ? -15.039 10.637 0.414 0.31 29.02 ? 324 MET A SD 1 +ATOM 5602 C CE A MET A 1 334 ? -17.375 11.339 -0.101 0.69 27.29 ? 324 MET A CE 1 +ATOM 5603 C CE B MET A 1 334 ? -16.506 11.662 0.169 0.31 28.71 ? 324 MET A CE 1 +ATOM 5604 H H A MET A 1 334 ? -14.602 7.358 -2.224 0.69 22.23 ? 324 MET A H 1 +ATOM 5605 H H B MET A 1 334 ? -14.601 7.366 -2.234 0.31 22.23 ? 324 MET A H 1 +ATOM 5606 H HA A MET A 1 334 ? -12.903 8.675 -0.724 0.69 25.78 ? 324 MET A HA 1 +ATOM 5607 H HA B MET A 1 334 ? -12.996 8.693 -0.693 0.31 17.97 ? 324 MET A HA 1 +ATOM 5608 H HB2 A MET A 1 334 ? -15.291 7.380 -0.001 0.69 30.77 ? 324 MET A HB2 1 +ATOM 5609 H HB2 B MET A 1 334 ? -15.244 7.131 0.014 0.31 19.05 ? 324 MET A HB2 1 +ATOM 5610 H HB3 A MET A 1 334 ? -14.456 8.262 1.023 0.69 30.77 ? 324 MET A HB3 1 +ATOM 5611 H HB3 B MET A 1 334 ? -14.507 8.080 1.054 0.31 19.05 ? 324 MET A HB3 1 +ATOM 5612 H HG2 A MET A 1 334 ? -14.807 10.143 -0.280 0.69 24.62 ? 324 MET A HG2 1 +ATOM 5613 H HG2 B MET A 1 334 ? -15.631 9.170 -1.253 0.31 27.81 ? 324 MET A HG2 1 +ATOM 5614 H HG3 A MET A 1 334 ? -15.587 9.271 -1.355 0.69 24.62 ? 324 MET A HG3 1 +ATOM 5615 H HG3 B MET A 1 334 ? -16.528 8.929 0.036 0.31 27.81 ? 324 MET A HG3 1 +ATOM 5616 H HE1 A MET A 1 334 ? -18.197 11.610 0.339 0.69 32.75 ? 324 MET A HE1 1 +ATOM 5617 H HE1 B MET A 1 334 ? -16.331 12.551 0.514 0.31 34.45 ? 324 MET A HE1 1 +ATOM 5618 H HE2 A MET A 1 334 ? -16.660 11.953 0.128 0.69 32.75 ? 324 MET A HE2 1 +ATOM 5619 H HE2 B MET A 1 334 ? -16.705 11.708 -0.779 0.31 34.45 ? 324 MET A HE2 1 +ATOM 5620 H HE3 A MET A 1 334 ? -17.504 11.324 -1.062 0.69 32.75 ? 324 MET A HE3 1 +ATOM 5621 H HE3 B MET A 1 334 ? -17.252 11.264 0.645 0.31 34.45 ? 324 MET A HE3 1 +ATOM 5622 N N . LYS A 1 335 ? -12.847 5.511 -0.254 1.00 20.22 ? 325 LYS A N 1 +ATOM 5623 C CA . LYS A 1 335 ? -12.030 4.446 0.314 1.00 22.90 ? 325 LYS A CA 1 +ATOM 5624 C C . LYS A 1 335 ? -10.635 4.482 -0.285 1.00 22.31 ? 325 LYS A C 1 +ATOM 5625 O O . LYS A 1 335 ? -9.636 4.319 0.438 1.00 22.09 ? 325 LYS A O 1 +ATOM 5626 C CB . LYS A 1 335 ? -12.700 3.096 0.034 1.00 25.33 ? 325 LYS A CB 1 +ATOM 5627 C CG . LYS A 1 335 ? -11.947 1.889 0.528 1.00 32.77 ? 325 LYS A CG 1 +ATOM 5628 H H . LYS A 1 335 ? -13.515 5.236 -0.721 1.00 24.27 ? 325 LYS A H 1 +ATOM 5629 H HA . LYS A 1 335 ? -11.956 4.558 1.275 1.00 27.48 ? 325 LYS A HA 1 +ATOM 5630 H HB2 . LYS A 1 335 ? -13.570 3.091 0.464 1.00 30.39 ? 325 LYS A HB2 1 +ATOM 5631 H HB3 . LYS A 1 335 ? -12.804 3.000 -0.926 1.00 30.39 ? 325 LYS A HB3 1 +ATOM 5632 N N . MET A 1 336 ? -10.546 4.692 -1.601 1.00 20.03 ? 326 MET A N 1 +ATOM 5633 C CA A MET A 1 336 ? -9.263 4.790 -2.283 0.62 20.74 ? 326 MET A CA 1 +ATOM 5634 C CA B MET A 1 336 ? -9.250 4.753 -2.241 0.38 20.43 ? 326 MET A CA 1 +ATOM 5635 C C . MET A 1 336 ? -8.407 5.883 -1.669 1.00 20.03 ? 326 MET A C 1 +ATOM 5636 O O . MET A 1 336 ? -7.208 5.697 -1.410 1.00 19.47 ? 326 MET A O 1 +ATOM 5637 C CB A MET A 1 336 ? -9.502 5.092 -3.768 0.62 25.45 ? 326 MET A CB 1 +ATOM 5638 C CB B MET A 1 336 ? -9.451 4.905 -3.737 0.38 18.49 ? 326 MET A CB 1 +ATOM 5639 C CG A MET A 1 336 ? -8.246 5.553 -4.552 0.62 19.96 ? 326 MET A CG 1 +ATOM 5640 C CG B MET A 1 336 ? -8.176 4.822 -4.524 0.38 20.42 ? 326 MET A CG 1 +ATOM 5641 S SD A MET A 1 336 ? -8.430 6.191 -6.230 0.62 21.73 ? 326 MET A SD 1 +ATOM 5642 S SD B MET A 1 336 ? -7.444 6.436 -4.523 0.38 23.72 ? 326 MET A SD 1 +ATOM 5643 C CE A MET A 1 336 ? -9.641 5.062 -6.936 0.62 20.91 ? 326 MET A CE 1 +ATOM 5644 C CE B MET A 1 336 ? -8.370 7.271 -5.805 0.38 37.75 ? 326 MET A CE 1 +ATOM 5645 H H A MET A 1 336 ? -11.223 4.782 -2.124 0.62 24.03 ? 326 MET A H 1 +ATOM 5646 H H B MET A 1 336 ? -11.215 4.800 -2.130 0.38 24.03 ? 326 MET A H 1 +ATOM 5647 H HA A MET A 1 336 ? -8.801 3.941 -2.206 0.62 24.89 ? 326 MET A HA 1 +ATOM 5648 H HA B MET A 1 336 ? -8.768 3.925 -2.089 0.38 24.51 ? 326 MET A HA 1 +ATOM 5649 H HB2 A MET A 1 336 ? -9.833 4.287 -4.196 0.62 30.53 ? 326 MET A HB2 1 +ATOM 5650 H HB2 B MET A 1 336 ? -10.038 4.198 -4.047 0.38 22.19 ? 326 MET A HB2 1 +ATOM 5651 H HB3 A MET A 1 336 ? -10.163 5.800 -3.835 0.62 30.53 ? 326 MET A HB3 1 +ATOM 5652 H HB3 B MET A 1 336 ? -9.852 5.770 -3.912 0.38 22.19 ? 326 MET A HB3 1 +ATOM 5653 H HG2 A MET A 1 336 ? -7.827 6.261 -4.037 0.62 23.95 ? 326 MET A HG2 1 +ATOM 5654 H HG2 B MET A 1 336 ? -7.566 4.191 -4.110 0.38 24.50 ? 326 MET A HG2 1 +ATOM 5655 H HG3 A MET A 1 336 ? -7.649 4.791 -4.615 0.62 23.95 ? 326 MET A HG3 1 +ATOM 5656 H HG3 B MET A 1 336 ? -8.362 4.553 -5.437 0.38 24.50 ? 326 MET A HG3 1 +ATOM 5657 H HE1 A MET A 1 336 ? -9.786 5.295 -7.866 0.62 25.09 ? 326 MET A HE1 1 +ATOM 5658 H HE1 B MET A 1 336 ? -8.287 8.230 -5.682 0.38 45.30 ? 326 MET A HE1 1 +ATOM 5659 H HE2 A MET A 1 336 ? -9.303 4.155 -6.872 0.62 25.09 ? 326 MET A HE2 1 +ATOM 5660 H HE2 B MET A 1 336 ? -8.012 7.017 -6.670 0.38 45.30 ? 326 MET A HE2 1 +ATOM 5661 H HE3 A MET A 1 336 ? -10.472 5.140 -6.442 0.62 25.09 ? 326 MET A HE3 1 +ATOM 5662 H HE3 B MET A 1 336 ? -9.302 7.009 -5.743 0.38 45.30 ? 326 MET A HE3 1 +ATOM 5663 N N . ILE A 1 337 ? -9.008 7.045 -1.456 1.00 19.30 ? 327 ILE A N 1 +ATOM 5664 C CA . ILE A 1 337 ? -8.285 8.185 -0.919 1.00 18.29 ? 327 ILE A CA 1 +ATOM 5665 C C . ILE A 1 337 ? -7.766 7.862 0.474 1.00 19.67 ? 327 ILE A C 1 +ATOM 5666 O O . ILE A 1 337 ? -6.630 8.168 0.795 1.00 18.65 ? 327 ILE A O 1 +ATOM 5667 C CB . ILE A 1 337 ? -9.208 9.411 -0.940 1.00 17.99 ? 327 ILE A CB 1 +ATOM 5668 C CG1 . ILE A 1 337 ? -9.442 9.865 -2.396 1.00 17.99 ? 327 ILE A CG1 1 +ATOM 5669 C CG2 . ILE A 1 337 ? -8.632 10.553 -0.081 1.00 19.21 ? 327 ILE A CG2 1 +ATOM 5670 C CD1 . ILE A 1 337 ? -10.619 10.882 -2.515 1.00 20.05 ? 327 ILE A CD1 1 +ATOM 5671 H H . ILE A 1 337 ? -9.839 7.201 -1.615 1.00 23.17 ? 327 ILE A H 1 +ATOM 5672 H HA . ILE A 1 337 ? -7.511 8.381 -1.470 1.00 21.95 ? 327 ILE A HA 1 +ATOM 5673 H HB . ILE A 1 337 ? -10.063 9.163 -0.555 1.00 21.58 ? 327 ILE A HB 1 +ATOM 5674 H HG12 . ILE A 1 337 ? -8.638 10.293 -2.729 1.00 21.59 ? 327 ILE A HG12 1 +ATOM 5675 H HG13 . ILE A 1 337 ? -9.656 9.091 -2.940 1.00 21.59 ? 327 ILE A HG13 1 +ATOM 5676 H HG21 . ILE A 1 337 ? -9.140 11.362 -0.248 1.00 23.05 ? 327 ILE A HG21 1 +ATOM 5677 H HG22 . ILE A 1 337 ? -8.699 10.308 0.856 1.00 23.05 ? 327 ILE A HG22 1 +ATOM 5678 H HG23 . ILE A 1 337 ? -7.702 10.691 -0.321 1.00 23.05 ? 327 ILE A HG23 1 +ATOM 5679 H HD11 . ILE A 1 337 ? -10.795 11.052 -3.453 1.00 24.05 ? 327 ILE A HD11 1 +ATOM 5680 H HD12 . ILE A 1 337 ? -11.407 10.504 -2.094 1.00 24.05 ? 327 ILE A HD12 1 +ATOM 5681 H HD13 . ILE A 1 337 ? -10.369 11.707 -2.070 1.00 24.05 ? 327 ILE A HD13 1 +ATOM 5682 N N . GLU A 1 338 ? -8.599 7.222 1.290 1.00 18.09 ? 328 GLU A N 1 +ATOM 5683 C CA A GLU A 1 338 ? -8.161 6.822 2.623 0.49 18.56 ? 328 GLU A CA 1 +ATOM 5684 C CA B GLU A 1 338 ? -8.173 6.811 2.624 0.51 21.87 ? 328 GLU A CA 1 +ATOM 5685 C C . GLU A 1 338 ? -7.008 5.837 2.553 1.00 20.24 ? 328 GLU A C 1 +ATOM 5686 O O . GLU A 1 338 ? -6.016 5.979 3.281 1.00 22.46 ? 328 GLU A O 1 +ATOM 5687 C CB A GLU A 1 338 ? -9.353 6.201 3.355 0.49 22.80 ? 328 GLU A CB 1 +ATOM 5688 C CB B GLU A 1 338 ? -9.380 6.172 3.317 0.51 19.89 ? 328 GLU A CB 1 +ATOM 5689 C CG A GLU A 1 338 ? -9.003 5.668 4.756 0.49 25.23 ? 328 GLU A CG 1 +ATOM 5690 C CG B GLU A 1 338 ? -9.169 5.913 4.809 0.51 49.54 ? 328 GLU A CG 1 +ATOM 5691 C CD A GLU A 1 338 ? -8.568 6.758 5.711 0.49 58.17 ? 328 GLU A CD 1 +ATOM 5692 C CD B GLU A 1 338 ? -10.416 5.351 5.486 0.51 43.61 ? 328 GLU A CD 1 +ATOM 5693 O OE1 A GLU A 1 338 ? -9.030 7.909 5.557 0.49 48.71 ? 328 GLU A OE1 1 +ATOM 5694 O OE1 B GLU A 1 338 ? -10.936 4.302 5.047 0.51 38.63 ? 328 GLU A OE1 1 +ATOM 5695 O OE2 A GLU A 1 338 ? -7.769 6.464 6.628 0.49 62.69 ? 328 GLU A OE2 1 +ATOM 5696 O OE2 B GLU A 1 338 ? -10.891 5.979 6.445 0.51 47.80 ? 328 GLU A OE2 1 +ATOM 5697 H H A GLU A 1 338 ? -9.411 7.011 1.101 0.49 21.70 ? 328 GLU A H 1 +ATOM 5698 H H B GLU A 1 338 ? -9.411 7.015 1.098 0.51 21.70 ? 328 GLU A H 1 +ATOM 5699 H HA A GLU A 1 338 ? -7.850 7.598 3.114 0.49 22.27 ? 328 GLU A HA 1 +ATOM 5700 H HA B GLU A 1 338 ? -7.872 7.578 3.136 0.51 26.24 ? 328 GLU A HA 1 +ATOM 5701 H HB2 A GLU A 1 338 ? -10.042 6.876 3.458 0.49 27.36 ? 328 GLU A HB2 1 +ATOM 5702 H HB2 B GLU A 1 338 ? -10.142 6.764 3.224 0.51 23.87 ? 328 GLU A HB2 1 +ATOM 5703 H HB3 A GLU A 1 338 ? -9.690 5.459 2.830 0.49 27.36 ? 328 GLU A HB3 1 +ATOM 5704 H HB3 B GLU A 1 338 ? -9.567 5.320 2.892 0.51 23.87 ? 328 GLU A HB3 1 +ATOM 5705 H HG2 A GLU A 1 338 ? -9.784 5.234 5.132 0.49 30.27 ? 328 GLU A HG2 1 +ATOM 5706 H HG2 B GLU A 1 338 ? -8.450 5.271 4.922 0.51 59.45 ? 328 GLU A HG2 1 +ATOM 5707 H HG3 A GLU A 1 338 ? -8.275 5.031 4.678 0.49 30.27 ? 328 GLU A HG3 1 +ATOM 5708 H HG3 B GLU A 1 338 ? -8.939 6.748 5.247 0.51 59.45 ? 328 GLU A HG3 1 +ATOM 5709 N N . LEU A 1 339 ? -7.100 4.842 1.668 1.00 22.68 ? 329 LEU A N 1 +ATOM 5710 C CA . LEU A 1 339 ? -6.038 3.845 1.535 1.00 24.70 ? 329 LEU A CA 1 +ATOM 5711 C C . LEU A 1 339 ? -4.731 4.460 1.075 1.00 24.00 ? 329 LEU A C 1 +ATOM 5712 O O . LEU A 1 339 ? -3.659 3.939 1.408 1.00 25.64 ? 329 LEU A O 1 +ATOM 5713 C CB . LEU A 1 339 ? -6.485 2.778 0.533 1.00 32.43 ? 329 LEU A CB 1 +ATOM 5714 C CG . LEU A 1 339 ? -7.118 1.491 1.054 1.00 44.48 ? 329 LEU A CG 1 +ATOM 5715 C CD1 . LEU A 1 339 ? -8.080 1.722 2.179 1.00 74.73 ? 329 LEU A CD1 1 +ATOM 5716 C CD2 . LEU A 1 339 ? -7.807 0.758 -0.095 1.00 66.42 ? 329 LEU A CD2 1 +ATOM 5717 H H . LEU A 1 339 ? -7.765 4.721 1.135 1.00 27.22 ? 329 LEU A H 1 +ATOM 5718 H HA . LEU A 1 339 ? -5.882 3.434 2.399 1.00 29.64 ? 329 LEU A HA 1 +ATOM 5719 H HB2 . LEU A 1 339 ? -7.141 3.187 -0.054 1.00 38.92 ? 329 LEU A HB2 1 +ATOM 5720 H HB3 . LEU A 1 339 ? -5.704 2.512 0.024 1.00 38.92 ? 329 LEU A HB3 1 +ATOM 5721 H HG . LEU A 1 339 ? -6.409 0.937 1.418 1.00 53.37 ? 329 LEU A HG 1 +ATOM 5722 H HD11 . LEU A 1 339 ? -8.542 0.893 2.375 1.00 89.68 ? 329 LEU A HD11 1 +ATOM 5723 H HD12 . LEU A 1 339 ? -7.586 2.018 2.960 1.00 89.68 ? 329 LEU A HD12 1 +ATOM 5724 H HD13 . LEU A 1 339 ? -8.718 2.403 1.913 1.00 89.68 ? 329 LEU A HD13 1 +ATOM 5725 H HD21 . LEU A 1 339 ? -8.174 -0.076 0.237 1.00 79.70 ? 329 LEU A HD21 1 +ATOM 5726 H HD22 . LEU A 1 339 ? -8.518 1.317 -0.444 1.00 79.70 ? 329 LEU A HD22 1 +ATOM 5727 H HD23 . LEU A 1 339 ? -7.155 0.579 -0.791 1.00 79.70 ? 329 LEU A HD23 1 +ATOM 5728 N N . LEU A 1 340 ? -4.766 5.520 0.275 1.00 20.26 ? 330 LEU A N 1 +ATOM 5729 C CA . LEU A 1 340 ? -3.580 6.235 -0.118 1.00 20.09 ? 330 LEU A CA 1 +ATOM 5730 C C . LEU A 1 340 ? -2.964 7.045 0.997 1.00 23.93 ? 330 LEU A C 1 +ATOM 5731 O O . LEU A 1 340 ? -1.873 7.597 0.806 1.00 25.33 ? 330 LEU A O 1 +ATOM 5732 C CB . LEU A 1 340 ? -3.881 7.178 -1.287 1.00 21.81 ? 330 LEU A CB 1 +ATOM 5733 C CG . LEU A 1 340 ? -4.106 6.543 -2.650 1.00 23.45 ? 330 LEU A CG 1 +ATOM 5734 C CD1 . LEU A 1 340 ? -4.530 7.631 -3.600 1.00 26.12 ? 330 LEU A CD1 1 +ATOM 5735 C CD2 . LEU A 1 340 ? -2.864 5.840 -3.148 1.00 33.15 ? 330 LEU A CD2 1 +ATOM 5736 H H . LEU A 1 340 ? -5.488 5.847 -0.058 1.00 24.31 ? 330 LEU A H 1 +ATOM 5737 H HA . LEU A 1 340 ? -2.934 5.573 -0.409 1.00 24.11 ? 330 LEU A HA 1 +ATOM 5738 H HB2 . LEU A 1 340 ? -4.686 7.675 -1.070 1.00 26.18 ? 330 LEU A HB2 1 +ATOM 5739 H HB3 . LEU A 1 340 ? -3.131 7.787 -1.379 1.00 26.18 ? 330 LEU A HB3 1 +ATOM 5740 H HG . LEU A 1 340 ? -4.796 5.864 -2.594 1.00 28.14 ? 330 LEU A HG 1 +ATOM 5741 H HD11 . LEU A 1 340 ? -4.661 7.247 -4.481 1.00 31.35 ? 330 LEU A HD11 1 +ATOM 5742 H HD12 . LEU A 1 340 ? -5.359 8.023 -3.283 1.00 31.35 ? 330 LEU A HD12 1 +ATOM 5743 H HD13 . LEU A 1 340 ? -3.836 8.308 -3.634 1.00 31.35 ? 330 LEU A HD13 1 +ATOM 5744 H HD21 . LEU A 1 340 ? -3.001 5.571 -4.070 1.00 39.78 ? 330 LEU A HD21 1 +ATOM 5745 H HD22 . LEU A 1 340 ? -2.111 6.449 -3.090 1.00 39.78 ? 330 LEU A HD22 1 +ATOM 5746 H HD23 . LEU A 1 340 ? -2.700 5.059 -2.597 1.00 39.78 ? 330 LEU A HD23 1 +ATOM 5747 N N . GLY A 1 341 ? -3.664 7.173 2.104 1.00 20.69 ? 331 GLY A N 1 +ATOM 5748 C CA . GLY A 1 341 ? -3.216 8.058 3.153 1.00 24.01 ? 331 GLY A CA 1 +ATOM 5749 C C . GLY A 1 341 ? -3.469 9.524 2.886 1.00 24.24 ? 331 GLY A C 1 +ATOM 5750 O O . GLY A 1 341 ? -2.822 10.375 3.503 1.00 24.99 ? 331 GLY A O 1 +ATOM 5751 H H . GLY A 1 341 ? -4.400 6.761 2.271 1.00 24.83 ? 331 GLY A H 1 +ATOM 5752 H HA2 . GLY A 1 341 ? -3.673 7.822 3.976 1.00 28.81 ? 331 GLY A HA2 1 +ATOM 5753 H HA3 . GLY A 1 341 ? -2.262 7.938 3.276 1.00 28.81 ? 331 GLY A HA3 1 +ATOM 5754 N N . ARG A 1 342 ? -4.407 9.849 1.986 1.00 18.06 ? 332 ARG A N 1 +ATOM 5755 C CA . ARG A 1 342 ? -4.792 11.208 1.636 1.00 17.23 ? 332 ARG A CA 1 +ATOM 5756 C C . ARG A 1 342 ? -6.087 11.560 2.356 1.00 18.87 ? 332 ARG A C 1 +ATOM 5757 O O . ARG A 1 342 ? -6.624 10.763 3.128 1.00 19.51 ? 332 ARG A O 1 +ATOM 5758 C CB . ARG A 1 342 ? -4.869 11.271 0.104 1.00 17.03 ? 332 ARG A CB 1 +ATOM 5759 C CG . ARG A 1 342 ? -3.544 10.963 -0.586 1.00 17.71 ? 332 ARG A CG 1 +ATOM 5760 C CD . ARG A 1 342 ? -2.668 12.154 -0.711 1.00 16.95 ? 332 ARG A CD 1 +ATOM 5761 N NE . ARG A 1 342 ? -2.902 12.984 -1.895 1.00 16.64 ? 332 ARG A NE 1 +ATOM 5762 C CZ . ARG A 1 342 ? -2.532 12.640 -3.120 1.00 17.28 ? 332 ARG A CZ 1 +ATOM 5763 N NH1 . ARG A 1 342 ? -1.889 11.534 -3.320 1.00 17.22 ? 332 ARG A NH1 1 +ATOM 5764 N NH2 . ARG A 1 342 ? -2.798 13.506 -4.118 1.00 17.44 ? 332 ARG A NH2 1 +ATOM 5765 H H . ARG A 1 342 ? -4.856 9.262 1.546 1.00 21.68 ? 332 ARG A H 1 +ATOM 5766 H HA . ARG A 1 342 ? -4.149 11.874 1.927 1.00 20.67 ? 332 ARG A HA 1 +ATOM 5767 H HB2 . ARG A 1 342 ? -5.522 10.622 -0.203 1.00 20.43 ? 332 ARG A HB2 1 +ATOM 5768 H HB3 . ARG A 1 342 ? -5.140 12.164 -0.159 1.00 20.43 ? 332 ARG A HB3 1 +ATOM 5769 H HG2 . ARG A 1 342 ? -3.068 10.293 -0.071 1.00 21.25 ? 332 ARG A HG2 1 +ATOM 5770 H HG3 . ARG A 1 342 ? -3.723 10.628 -1.479 1.00 21.25 ? 332 ARG A HG3 1 +ATOM 5771 H HD2 . ARG A 1 342 ? -2.804 12.716 0.068 1.00 20.34 ? 332 ARG A HD2 1 +ATOM 5772 H HD3 . ARG A 1 342 ? -1.747 11.853 -0.747 1.00 20.34 ? 332 ARG A HD3 1 +ATOM 5773 H HE . ARG A 1 342 ? -3.302 13.738 -1.788 1.00 19.97 ? 332 ARG A HE 1 +ATOM 5774 H HH11 . ARG A 1 342 ? -1.700 11.020 -2.656 1.00 20.67 ? 332 ARG A HH11 1 +ATOM 5775 H HH12 . ARG A 1 342 ? -1.650 11.312 -4.116 1.00 20.67 ? 332 ARG A HH12 1 +ATOM 5776 H HH21 . ARG A 1 342 ? -3.193 14.250 -3.947 1.00 20.93 ? 332 ARG A HH21 1 +ATOM 5777 H HH22 . ARG A 1 342 ? -2.572 13.314 -4.925 1.00 20.93 ? 332 ARG A HH22 1 +ATOM 5778 N N . LYS A 1 343 ? -6.618 12.730 2.101 1.00 18.80 ? 333 LYS A N 1 +ATOM 5779 C CA . LYS A 1 343 ? -7.861 13.173 2.701 1.00 23.52 ? 333 LYS A CA 1 +ATOM 5780 C C . LYS A 1 343 ? -8.813 13.649 1.629 1.00 22.82 ? 333 LYS A C 1 +ATOM 5781 O O . LYS A 1 343 ? -8.360 14.161 0.663 1.00 19.37 ? 333 LYS A O 1 +ATOM 5782 C CB . LYS A 1 343 ? -7.581 14.386 3.606 1.00 26.21 ? 333 LYS A CB 1 +ATOM 5783 C CG . LYS A 1 343 ? -6.142 14.740 3.737 1.00 64.70 ? 333 LYS A CG 1 +ATOM 5784 H H . LYS A 1 343 ? -6.270 13.307 1.567 1.00 22.56 ? 333 LYS A H 1 +ATOM 5785 H HA . LYS A 1 343 ? -8.266 12.444 3.196 1.00 28.23 ? 333 LYS A HA 1 +ATOM 5786 H HB2 . LYS A 1 343 ? -8.040 15.158 3.239 1.00 31.45 ? 333 LYS A HB2 1 +ATOM 5787 H HB3 . LYS A 1 343 ? -7.917 14.193 4.495 1.00 31.45 ? 333 LYS A HB3 1 +ATOM 5788 N N . PRO A 1 344 ? -10.135 13.519 1.759 1.00 28.23 ? 334 PRO A N 1 +ATOM 5789 C CA . PRO A 1 344 ? -11.027 14.184 0.805 1.00 24.36 ? 334 PRO A CA 1 +ATOM 5790 C C . PRO A 1 344 ? -11.001 15.696 1.042 1.00 26.79 ? 334 PRO A C 1 +ATOM 5791 O O . PRO A 1 344 ? -10.615 16.187 2.095 1.00 24.35 ? 334 PRO A O 1 +ATOM 5792 C CB B PRO A 1 344 ? -12.400 13.599 1.168 1.00 42.97 ? 334 PRO A CB 1 +ATOM 5793 C CG . PRO A 1 344 ? -12.278 13.385 2.680 1.00 35.51 ? 334 PRO A CG 1 +ATOM 5794 C CD . PRO A 1 344 ? -10.863 12.861 2.855 1.00 34.10 ? 334 PRO A CD 1 +ATOM 5795 H HA . PRO A 1 344 ? -10.810 13.975 -0.117 1.00 29.23 ? 334 PRO A HA 1 +ATOM 5796 H HB2 B PRO A 1 344 ? -13.106 14.229 0.954 1.00 51.57 ? 334 PRO A HB2 1 +ATOM 5797 H HB3 B PRO A 1 344 ? -12.548 12.762 0.701 1.00 51.57 ? 334 PRO A HB3 1 +ATOM 5798 H HG2 B PRO A 1 344 ? -12.403 14.224 3.150 1.00 42.61 ? 334 PRO A HG2 1 +ATOM 5799 H HG3 B PRO A 1 344 ? -12.933 12.735 2.982 1.00 42.61 ? 334 PRO A HG3 1 +ATOM 5800 H HD2 . PRO A 1 344 ? -10.501 13.119 3.717 1.00 40.92 ? 334 PRO A HD2 1 +ATOM 5801 H HD3 . PRO A 1 344 ? -10.835 11.896 2.759 1.00 40.92 ? 334 PRO A HD3 1 +ATOM 5802 N N . GLY A 1 345 ? -11.355 16.429 -0.002 1.00 25.83 ? 335 GLY A N 1 +ATOM 5803 C CA . GLY A 1 345 ? -11.361 17.874 0.091 1.00 22.33 ? 335 GLY A CA 1 +ATOM 5804 C C . GLY A 1 345 ? -12.356 18.368 1.123 1.00 23.94 ? 335 GLY A C 1 +ATOM 5805 O O . GLY A 1 345 ? -13.428 17.792 1.302 1.00 30.08 ? 335 GLY A O 1 +ATOM 5806 H H . GLY A 1 345 ? -11.593 16.116 -0.767 1.00 30.99 ? 335 GLY A H 1 +ATOM 5807 H HA2 . GLY A 1 345 ? -10.478 18.187 0.341 1.00 26.80 ? 335 GLY A HA2 1 +ATOM 5808 H HA3 . GLY A 1 345 ? -11.598 18.253 -0.770 1.00 26.80 ? 335 GLY A HA3 1 +ATOM 5809 N N . ARG A 1 346 ? -11.985 19.446 1.794 1.00 22.35 ? 336 ARG A N 1 +ATOM 5810 C CA . ARG A 1 346 ? -12.792 20.042 2.854 1.00 27.00 ? 336 ARG A CA 1 +ATOM 5811 C C . ARG A 1 346 ? -13.672 21.170 2.368 1.00 26.75 ? 336 ARG A C 1 +ATOM 5812 O O . ARG A 1 346 ? -14.623 21.560 3.054 1.00 33.91 ? 336 ARG A O 1 +ATOM 5813 C CB . ARG A 1 346 ? -11.872 20.603 3.949 1.00 31.48 ? 336 ARG A CB 1 +ATOM 5814 C CG . ARG A 1 346 ? -11.069 19.514 4.696 1.00 39.58 ? 336 ARG A CG 1 +ATOM 5815 H H . ARG A 1 346 ? -11.248 19.866 1.654 1.00 26.82 ? 336 ARG A H 1 +ATOM 5816 H HA . ARG A 1 346 ? -13.359 19.352 3.232 1.00 32.41 ? 336 ARG A HA 1 +ATOM 5817 H HB2 . ARG A 1 346 ? -11.237 21.214 3.542 1.00 37.78 ? 336 ARG A HB2 1 +ATOM 5818 H HB3 . ARG A 1 346 ? -12.413 21.074 4.602 1.00 37.78 ? 336 ARG A HB3 1 +ATOM 5819 N N . ASP A 1 347 ? -13.339 21.757 1.233 1.00 20.80 ? 337 ASP A N 1 +ATOM 5820 C CA . ASP A 1 347 ? -14.090 22.841 0.627 1.00 19.86 ? 337 ASP A CA 1 +ATOM 5821 C C . ASP A 1 347 ? -14.278 22.465 -0.841 1.00 18.72 ? 337 ASP A C 1 +ATOM 5822 O O . ASP A 1 347 ? -14.220 21.294 -1.214 1.00 18.03 ? 337 ASP A O 1 +ATOM 5823 C CB . ASP A 1 347 ? -13.302 24.131 0.890 1.00 21.04 ? 337 ASP A CB 1 +ATOM 5824 C CG . ASP A 1 347 ? -11.913 24.146 0.241 1.00 27.38 ? 337 ASP A CG 1 +ATOM 5825 O OD1 . ASP A 1 347 ? -11.564 23.243 -0.536 1.00 21.10 ? 337 ASP A OD1 1 +ATOM 5826 O OD2 . ASP A 1 347 ? -11.105 25.056 0.549 1.00 28.42 ? 337 ASP A OD2 1 +ATOM 5827 H H . ASP A 1 347 ? -12.649 21.535 0.771 1.00 24.96 ? 337 ASP A H 1 +ATOM 5828 H HA . ASP A 1 347 ? -14.979 22.949 1.000 1.00 23.84 ? 337 ASP A HA 1 +ATOM 5829 H HB2 . ASP A 1 347 ? -13.803 24.882 0.535 1.00 25.25 ? 337 ASP A HB2 1 +ATOM 5830 H HB3 . ASP A 1 347 ? -13.182 24.234 1.847 1.00 25.25 ? 337 ASP A HB3 1 +ATOM 5831 N N . TRP A 1 348 ? -14.547 23.446 -1.699 1.00 17.50 ? 338 TRP A N 1 +ATOM 5832 C CA . TRP A 1 348 ? -14.799 23.144 -3.108 1.00 16.26 ? 338 TRP A CA 1 +ATOM 5833 C C . TRP A 1 348 ? -13.532 22.820 -3.880 1.00 16.80 ? 338 TRP A C 1 +ATOM 5834 O O . TRP A 1 348 ? -13.627 22.400 -5.046 1.00 15.66 ? 338 TRP A O 1 +ATOM 5835 C CB . TRP A 1 348 ? -15.488 24.324 -3.826 1.00 18.19 ? 338 TRP A CB 1 +ATOM 5836 C CG . TRP A 1 348 ? -16.865 24.647 -3.332 1.00 18.02 ? 338 TRP A CG 1 +ATOM 5837 C CD1 . TRP A 1 348 ? -17.564 23.979 -2.410 1.00 20.13 ? 338 TRP A CD1 1 +ATOM 5838 C CD2 . TRP A 1 348 ? -17.706 25.719 -3.789 1.00 17.71 ? 338 TRP A CD2 1 +ATOM 5839 N NE1 . TRP A 1 348 ? -18.828 24.574 -2.258 1.00 20.22 ? 338 TRP A NE1 1 +ATOM 5840 C CE2 . TRP A 1 348 ? -18.912 25.648 -3.093 1.00 19.06 ? 338 TRP A CE2 1 +ATOM 5841 C CE3 . TRP A 1 348 ? -17.534 26.736 -4.723 1.00 19.69 ? 338 TRP A CE3 1 +ATOM 5842 C CZ2 . TRP A 1 348 ? -19.957 26.568 -3.292 1.00 20.50 ? 338 TRP A CZ2 1 +ATOM 5843 C CZ3 . TRP A 1 348 ? -18.577 27.605 -4.958 1.00 22.66 ? 338 TRP A CZ3 1 +ATOM 5844 C CH2 . TRP A 1 348 ? -19.758 27.532 -4.235 1.00 21.76 ? 338 TRP A CH2 1 +ATOM 5845 H H . TRP A 1 348 ? -14.589 24.281 -1.495 1.00 21.00 ? 338 TRP A H 1 +ATOM 5846 H HA . TRP A 1 348 ? -15.399 22.382 -3.130 1.00 19.51 ? 338 TRP A HA 1 +ATOM 5847 H HB2 . TRP A 1 348 ? -14.943 25.118 -3.706 1.00 21.83 ? 338 TRP A HB2 1 +ATOM 5848 H HB3 . TRP A 1 348 ? -15.560 24.111 -4.769 1.00 21.83 ? 338 TRP A HB3 1 +ATOM 5849 H HD1 . TRP A 1 348 ? -17.260 23.236 -1.941 1.00 24.16 ? 338 TRP A HD1 1 +ATOM 5850 H HE1 . TRP A 1 348 ? -19.447 24.304 -1.725 1.00 24.27 ? 338 TRP A HE1 1 +ATOM 5851 H HE3 . TRP A 1 348 ? -16.729 26.827 -5.181 1.00 23.62 ? 338 TRP A HE3 1 +ATOM 5852 H HZ2 . TRP A 1 348 ? -20.747 26.522 -2.803 1.00 24.59 ? 338 TRP A HZ2 1 +ATOM 5853 H HZ3 . TRP A 1 348 ? -18.486 28.256 -5.617 1.00 27.19 ? 338 TRP A HZ3 1 +ATOM 5854 H HH2 . TRP A 1 348 ? -20.429 28.154 -4.397 1.00 26.11 ? 338 TRP A HH2 1 +ATOM 5855 N N . GLY A 1 349 ? -12.349 23.010 -3.324 1.00 16.33 ? 339 GLY A N 1 +ATOM 5856 C CA . GLY A 1 349 ? -11.125 22.661 -4.016 1.00 16.30 ? 339 GLY A CA 1 +ATOM 5857 C C . GLY A 1 349 ? -10.878 23.538 -5.228 1.00 15.57 ? 339 GLY A C 1 +ATOM 5858 O O . GLY A 1 349 ? -10.310 23.049 -6.207 1.00 16.35 ? 339 GLY A O 1 +ATOM 5859 H H . GLY A 1 349 ? -12.227 23.342 -2.541 1.00 19.60 ? 339 GLY A H 1 +ATOM 5860 H HA2 . GLY A 1 349 ? -10.375 22.758 -3.409 1.00 19.56 ? 339 GLY A HA2 1 +ATOM 5861 H HA3 . GLY A 1 349 ? -11.175 21.738 -4.310 1.00 19.56 ? 339 GLY A HA3 1 +ATOM 5862 N N . GLY A 1 350 ? -11.224 24.811 -5.190 1.00 16.17 ? 340 GLY A N 1 +ATOM 5863 C CA . GLY A 1 350 ? -10.895 25.701 -6.288 1.00 16.60 ? 340 GLY A CA 1 +ATOM 5864 C C . GLY A 1 350 ? -9.412 25.940 -6.386 1.00 17.37 ? 340 GLY A C 1 +ATOM 5865 O O . GLY A 1 350 ? -8.683 25.847 -5.407 1.00 18.40 ? 340 GLY A O 1 +ATOM 5866 H H . GLY A 1 350 ? -11.649 25.186 -4.543 1.00 19.41 ? 340 GLY A H 1 +ATOM 5867 H HA2 . GLY A 1 350 ? -11.201 25.312 -7.122 1.00 19.92 ? 340 GLY A HA2 1 +ATOM 5868 H HA3 . GLY A 1 350 ? -11.337 26.554 -6.156 1.00 19.92 ? 340 GLY A HA3 1 +ATOM 5869 N N . ARG A 1 351 ? -8.916 26.219 -7.590 1.00 16.61 ? 341 ARG A N 1 +ATOM 5870 C CA . ARG A 1 351 ? -7.501 26.471 -7.749 1.00 15.79 ? 341 ARG A CA 1 +ATOM 5871 C C . ARG A 1 351 ? -7.104 27.719 -6.988 1.00 18.81 ? 341 ARG A C 1 +ATOM 5872 O O . ARG A 1 351 ? -7.771 28.758 -7.064 1.00 19.38 ? 341 ARG A O 1 +ATOM 5873 C CB . ARG A 1 351 ? -7.194 26.651 -9.239 1.00 17.79 ? 341 ARG A CB 1 +ATOM 5874 C CG . ARG A 1 351 ? -5.725 26.815 -9.597 1.00 17.39 ? 341 ARG A CG 1 +ATOM 5875 C CD . ARG A 1 351 ? -5.360 28.264 -9.656 1.00 19.51 ? 341 ARG A CD 1 +ATOM 5876 N NE . ARG A 1 351 ? -3.928 28.494 -9.888 1.00 21.36 ? 341 ARG A NE 1 +ATOM 5877 C CZ . ARG A 1 351 ? -3.368 28.790 -11.053 1.00 21.27 ? 341 ARG A CZ 1 +ATOM 5878 N NH1 . ARG A 1 351 ? -4.100 28.912 -12.160 1.00 18.97 ? 341 ARG A NH1 1 +ATOM 5879 N NH2 . ARG A 1 351 ? -2.065 28.998 -11.098 1.00 21.39 ? 341 ARG A NH2 1 +ATOM 5880 H H . ARG A 1 351 ? -9.376 26.265 -8.315 1.00 19.93 ? 341 ARG A H 1 +ATOM 5881 H HA . ARG A 1 351 ? -6.986 25.725 -7.404 1.00 18.95 ? 341 ARG A HA 1 +ATOM 5882 H HB2 . ARG A 1 351 ? -7.520 25.869 -9.713 1.00 21.35 ? 341 ARG A HB2 1 +ATOM 5883 H HB3 . ARG A 1 351 ? -7.657 27.444 -9.551 1.00 21.35 ? 341 ARG A HB3 1 +ATOM 5884 H HG2 . ARG A 1 351 ? -5.176 26.385 -8.923 1.00 20.87 ? 341 ARG A HG2 1 +ATOM 5885 H HG3 . ARG A 1 351 ? -5.555 26.418 -10.465 1.00 20.87 ? 341 ARG A HG3 1 +ATOM 5886 H HD2 . ARG A 1 351 ? -5.849 28.682 -10.382 1.00 23.41 ? 341 ARG A HD2 1 +ATOM 5887 H HD3 . ARG A 1 351 ? -5.596 28.682 -8.814 1.00 23.41 ? 341 ARG A HD3 1 +ATOM 5888 H HE . ARG A 1 351 ? -3.406 28.432 -9.207 1.00 25.63 ? 341 ARG A HE 1 +ATOM 5889 H HH11 . ARG A 1 351 ? -4.952 28.798 -12.127 1.00 22.76 ? 341 ARG A HH11 1 +ATOM 5890 H HH12 . ARG A 1 351 ? -3.720 29.105 -12.907 1.00 22.76 ? 341 ARG A HH12 1 +ATOM 5891 H HH21 . ARG A 1 351 ? -1.595 28.940 -10.380 1.00 25.67 ? 341 ARG A HH21 1 +ATOM 5892 H HH22 . ARG A 1 351 ? -1.686 29.191 -11.845 1.00 25.67 ? 341 ARG A HH22 1 +ATOM 5893 N N . LYS A 1 352 ? -5.991 27.612 -6.266 1.00 18.03 ? 342 LYS A N 1 +ATOM 5894 C CA . LYS A 1 352 ? -5.428 28.727 -5.512 1.00 19.05 ? 342 LYS A CA 1 +ATOM 5895 C C . LYS A 1 352 ? -4.082 29.117 -6.111 1.00 20.75 ? 342 LYS A C 1 +ATOM 5896 O O . LYS A 1 352 ? -3.468 28.375 -6.882 1.00 19.79 ? 342 LYS A O 1 +ATOM 5897 C CB . LYS A 1 352 ? -5.279 28.338 -4.033 1.00 20.36 ? 342 LYS A CB 1 +ATOM 5898 C CG . LYS A 1 352 ? -6.576 28.007 -3.371 1.00 23.77 ? 342 LYS A CG 1 +ATOM 5899 C CD . LYS A 1 352 ? -7.514 29.222 -3.359 1.00 38.16 ? 342 LYS A CD 1 +ATOM 5900 C CE . LYS A 1 352 ? -8.722 29.056 -2.425 1.00 57.78 ? 342 LYS A CE 1 +ATOM 5901 N NZ . LYS A 1 352 ? -9.727 28.090 -2.937 1.00 77.35 ? 342 LYS A NZ 1 +ATOM 5902 H H . LYS A 1 352 ? -5.534 26.887 -6.197 1.00 21.63 ? 342 LYS A H 1 +ATOM 5903 H HA . LYS A 1 352 ? -6.008 29.503 -5.559 1.00 22.86 ? 342 LYS A HA 1 +ATOM 5904 H HB2 . LYS A 1 352 ? -4.706 27.558 -3.971 1.00 24.43 ? 342 LYS A HB2 1 +ATOM 5905 H HB3 . LYS A 1 352 ? -4.881 29.081 -3.553 1.00 24.43 ? 342 LYS A HB3 1 +ATOM 5906 H HG2 . LYS A 1 352 ? -7.011 27.288 -3.855 1.00 28.53 ? 342 LYS A HG2 1 +ATOM 5907 H HG3 . LYS A 1 352 ? -6.411 27.738 -2.454 1.00 28.53 ? 342 LYS A HG3 1 +ATOM 5908 H HD2 . LYS A 1 352 ? -7.016 30.000 -3.063 1.00 45.79 ? 342 LYS A HD2 1 +ATOM 5909 H HD3 . LYS A 1 352 ? -7.851 29.366 -4.257 1.00 45.79 ? 342 LYS A HD3 1 +ATOM 5910 H HE2 . LYS A 1 352 ? -8.413 28.736 -1.564 1.00 69.34 ? 342 LYS A HE2 1 +ATOM 5911 H HE3 . LYS A 1 352 ? -9.161 29.915 -2.322 1.00 69.34 ? 342 LYS A HE3 1 +ATOM 5912 H HZ1 . LYS A 1 352 ? -9.355 27.287 -3.034 1.00 92.82 ? 342 LYS A HZ1 1 +ATOM 5913 H HZ2 . LYS A 1 352 ? -10.407 28.027 -2.367 1.00 92.82 ? 342 LYS A HZ2 1 +ATOM 5914 H HZ3 . LYS A 1 352 ? -10.036 28.362 -3.727 1.00 92.82 ? 342 LYS A HZ3 1 +ATOM 5915 N N . ARG A 1 353 ? -3.600 30.298 -5.738 1.00 23.02 ? 343 ARG A N 1 +ATOM 5916 C CA . ARG A 1 353 ? -2.322 30.800 -6.211 1.00 26.32 ? 343 ARG A CA 1 +ATOM 5917 C C . ARG A 1 353 ? -1.390 30.885 -5.019 1.00 25.14 ? 343 ARG A C 1 +ATOM 5918 O O . ARG A 1 353 ? -1.378 31.886 -4.297 1.00 30.35 ? 343 ARG A O 1 +ATOM 5919 C CB . ARG A 1 353 ? -2.527 32.122 -6.889 1.00 26.82 ? 343 ARG A CB 1 +ATOM 5920 C CG . ARG A 1 353 ? -3.344 31.953 -8.156 1.00 27.30 ? 343 ARG A CG 1 +ATOM 5921 C CD . ARG A 1 353 ? -3.506 33.258 -8.883 1.00 32.49 ? 343 ARG A CD 1 +ATOM 5922 N NE . ARG A 1 353 ? -4.397 33.042 -10.009 1.00 35.42 ? 343 ARG A NE 1 +ATOM 5923 C CZ . ARG A 1 353 ? -3.980 32.604 -11.185 1.00 32.18 ? 343 ARG A CZ 1 +ATOM 5924 N NH1 . ARG A 1 353 ? -2.689 32.361 -11.378 1.00 32.28 ? 343 ARG A NH1 1 +ATOM 5925 N NH2 . ARG A 1 353 ? -4.855 32.419 -12.152 1.00 31.11 ? 343 ARG A NH2 1 +ATOM 5926 H H . ARG A 1 353 ? -4.006 30.833 -5.201 1.00 27.62 ? 343 ARG A H 1 +ATOM 5927 H HA . ARG A 1 353 ? -1.921 30.184 -6.844 1.00 31.58 ? 343 ARG A HA 1 +ATOM 5928 H HB2 . ARG A 1 353 ? -3.002 32.722 -6.292 1.00 32.19 ? 343 ARG A HB2 1 +ATOM 5929 H HB3 . ARG A 1 353 ? -1.666 32.502 -7.124 1.00 32.19 ? 343 ARG A HB3 1 +ATOM 5930 H HG2 . ARG A 1 353 ? -2.895 31.328 -8.746 1.00 32.76 ? 343 ARG A HG2 1 +ATOM 5931 H HG3 . ARG A 1 353 ? -4.225 31.620 -7.927 1.00 32.76 ? 343 ARG A HG3 1 +ATOM 5932 H HD2 . ARG A 1 353 ? -3.893 33.923 -8.293 1.00 38.99 ? 343 ARG A HD2 1 +ATOM 5933 H HD3 . ARG A 1 353 ? -2.646 33.566 -9.211 1.00 38.99 ? 343 ARG A HD3 1 +ATOM 5934 H HE . ARG A 1 353 ? -5.235 33.205 -9.906 1.00 42.50 ? 343 ARG A HE 1 +ATOM 5935 H HH11 . ARG A 1 353 ? -2.128 32.488 -10.739 1.00 38.74 ? 343 ARG A HH11 1 +ATOM 5936 H HH12 . ARG A 1 353 ? -2.415 32.077 -12.142 1.00 38.74 ? 343 ARG A HH12 1 +ATOM 5937 H HH21 . ARG A 1 353 ? -5.689 32.581 -12.015 1.00 37.33 ? 343 ARG A HH21 1 +ATOM 5938 H HH22 . ARG A 1 353 ? -4.593 32.135 -12.920 1.00 37.33 ? 343 ARG A HH22 1 +ATOM 5939 N N . VAL A 1 354 ? -0.654 29.810 -4.768 1.00 25.61 ? 344 VAL A N 1 +ATOM 5940 C CA . VAL A 1 354 ? 0.275 29.726 -3.650 1.00 23.40 ? 344 VAL A CA 1 +ATOM 5941 C C . VAL A 1 354 ? 1.711 29.529 -4.085 1.00 24.89 ? 344 VAL A C 1 +ATOM 5942 O O . VAL A 1 354 ? 2.629 29.652 -3.223 1.00 28.28 ? 344 VAL A O 1 +ATOM 5943 C CB . VAL A 1 354 ? -0.108 28.655 -2.609 1.00 30.78 ? 344 VAL A CB 1 +ATOM 5944 C CG1 . VAL A 1 354 ? -1.375 29.054 -1.881 1.00 29.30 ? 344 VAL A CG1 1 +ATOM 5945 C CG2 . VAL A 1 354 ? -0.254 27.279 -3.262 1.00 26.59 ? 344 VAL A CG2 1 +ATOM 5946 H H . VAL A 1 354 ? -0.676 29.094 -5.245 1.00 30.73 ? 344 VAL A H 1 +ATOM 5947 H HA . VAL A 1 354 ? 0.222 30.577 -3.187 1.00 28.08 ? 344 VAL A HA 1 +ATOM 5948 H HB . VAL A 1 354 ? 0.605 28.588 -1.955 1.00 36.94 ? 344 VAL A HB 1 +ATOM 5949 H HG11 . VAL A 1 354 ? -1.596 28.368 -1.232 1.00 35.16 ? 344 VAL A HG11 1 +ATOM 5950 H HG12 . VAL A 1 354 ? -1.227 29.900 -1.430 1.00 35.16 ? 344 VAL A HG12 1 +ATOM 5951 H HG13 . VAL A 1 354 ? -2.095 29.144 -2.525 1.00 35.16 ? 344 VAL A HG13 1 +ATOM 5952 H HG21 . VAL A 1 354 ? -0.497 26.631 -2.582 1.00 31.91 ? 344 VAL A HG21 1 +ATOM 5953 H HG22 . VAL A 1 354 ? -0.948 27.323 -3.939 1.00 31.91 ? 344 VAL A HG22 1 +ATOM 5954 H HG23 . VAL A 1 354 ? 0.590 27.031 -3.669 1.00 31.91 ? 344 VAL A HG23 1 +ATOM 5955 N N . PHE A 1 355 ? 1.948 29.279 -5.377 1.00 24.53 ? 345 PHE A N 1 +ATOM 5956 C CA . PHE A 1 355 ? 3.293 29.144 -5.916 1.00 26.25 ? 345 PHE A CA 1 +ATOM 5957 C C . PHE A 1 355 ? 3.764 30.490 -6.468 1.00 41.98 ? 345 PHE A C 1 +ATOM 5958 O O . PHE A 1 355 ? 3.087 31.103 -7.307 1.00 34.57 ? 345 PHE A O 1 +ATOM 5959 C CB . PHE A 1 355 ? 3.341 28.113 -7.037 1.00 24.84 ? 345 PHE A CB 1 +ATOM 5960 C CG . PHE A 1 355 ? 4.725 27.856 -7.530 1.00 27.27 ? 345 PHE A CG 1 +ATOM 5961 C CD1 . PHE A 1 355 ? 5.574 27.017 -6.837 1.00 24.60 ? 345 PHE A CD1 1 +ATOM 5962 C CD2 . PHE A 1 355 ? 5.183 28.440 -8.693 1.00 31.65 ? 345 PHE A CD2 1 +ATOM 5963 C CE1 . PHE A 1 355 ? 6.874 26.821 -7.251 1.00 31.19 ? 345 PHE A CE1 1 +ATOM 5964 C CE2 . PHE A 1 355 ? 6.479 28.230 -9.106 1.00 31.65 ? 345 PHE A CE2 1 +ATOM 5965 C CZ . PHE A 1 355 ? 7.318 27.419 -8.403 1.00 28.60 ? 345 PHE A CZ 1 +ATOM 5966 H H . PHE A 1 355 ? 1.331 29.181 -5.968 1.00 29.43 ? 345 PHE A H 1 +ATOM 5967 H HA . PHE A 1 355 ? 3.883 28.858 -5.202 1.00 31.50 ? 345 PHE A HA 1 +ATOM 5968 H HB2 . PHE A 1 355 ? 2.979 27.275 -6.710 1.00 29.80 ? 345 PHE A HB2 1 +ATOM 5969 H HB3 . PHE A 1 355 ? 2.812 28.434 -7.784 1.00 29.80 ? 345 PHE A HB3 1 +ATOM 5970 H HD1 . PHE A 1 355 ? 5.265 26.577 -6.079 1.00 29.52 ? 345 PHE A HD1 1 +ATOM 5971 H HD2 . PHE A 1 355 ? 4.615 28.976 -9.199 1.00 37.98 ? 345 PHE A HD2 1 +ATOM 5972 H HE1 . PHE A 1 355 ? 7.447 26.286 -6.751 1.00 37.43 ? 345 PHE A HE1 1 +ATOM 5973 H HE2 . PHE A 1 355 ? 6.787 28.648 -9.877 1.00 37.98 ? 345 PHE A HE2 1 +ATOM 5974 H HZ . PHE A 1 355 ? 8.187 27.273 -8.701 1.00 34.33 ? 345 PHE A HZ 1 +ATOM 5975 N N . THR A 1 356 ? 4.951 30.904 -6.041 1.00 36.21 ? 346 THR A N 1 +ATOM 5976 C CA . THR A 1 356 ? 5.494 32.241 -6.349 1.00 95.29 ? 346 THR A CA 1 +ATOM 5977 C C . THR A 1 356 ? 4.423 33.337 -6.326 1.00 77.10 ? 346 THR A C 1 +ATOM 5978 O O . THR A 1 356 ? 3.764 33.562 -5.308 1.00 69.13 ? 346 THR A O 1 +ATOM 5979 C CB . THR A 1 356 ? 6.216 32.271 -7.723 1.00 45.92 ? 346 THR A CB 1 +ATOM 5980 H H . THR A 1 356 ? 5.480 30.426 -5.560 1.00 43.45 ? 346 THR A H 1 +ATOM 5981 H HA . THR A 1 356 ? 6.139 32.460 -5.658 1.00 114.34 ? 346 THR A HA 1 +HETATM 5982 N N . CYS B 2 . ? -13.620 11.653 -17.753 1.00 15.50 ? 401 CYS A N 1 +HETATM 5983 C CA . CYS B 2 . ? -13.258 11.104 -19.086 1.00 14.53 ? 401 CYS A CA 1 +HETATM 5984 C C . CYS B 2 . ? -11.777 10.907 -18.976 1.00 19.50 ? 401 CYS A C 1 +HETATM 5985 O O . CYS B 2 . ? -11.206 9.988 -19.577 1.00 21.30 ? 401 CYS A O 1 +HETATM 5986 C CB . CYS B 2 . ? -13.549 12.161 -20.146 1.00 15.72 ? 401 CYS A CB 1 +HETATM 5987 S SG . CYS B 2 . ? -12.837 13.793 -19.661 1.00 14.51 ? 401 CYS A SG 1 +HETATM 5988 O OXT . CYS B 2 . ? -11.137 11.770 -18.293 1.00 18.79 ? 401 CYS A OXT 1 +HETATM 5989 H HA . CYS B 2 . ? -13.734 10.298 -19.339 1.00 17.44 ? 401 CYS A HA 1 +HETATM 5990 H HB2 . CYS B 2 . ? -13.154 11.890 -20.989 1.00 18.87 ? 401 CYS A HB2 1 +HETATM 5991 H HB3 . CYS B 2 . ? -14.509 12.261 -20.246 1.00 18.87 ? 401 CYS A HB3 1 +HETATM 5992 FE FE . FE2 C 3 . ? -12.387 13.254 -17.469 1.00 14.79 ? 402 FE2 A FE 1 +HETATM 5993 C C C CMO D 4 . ? -13.654 14.394 -16.878 0.93 15.47 ? 403 CMO A C 1 +HETATM 5994 O O C CMO D 4 . ? -14.462 15.123 -16.500 0.93 17.10 ? 403 CMO A O 1 +HETATM 5995 C C C CMO E 4 . ? -11.117 14.498 -17.376 0.96 14.10 ? 404 CMO A C 1 +HETATM 5996 O O C CMO E 4 . ? -10.282 15.318 -17.308 0.96 15.65 ? 404 CMO A O 1 +HETATM 5997 C C . CYN F 5 . ? -11.936 12.582 -15.952 1.00 16.12 ? 405 CYN A C 1 +HETATM 5998 N N . CYN F 5 . ? -11.615 12.105 -14.879 1.00 14.92 ? 405 CYN A N 1 +HETATM 5999 C C . PYR G 6 . ? -6.947 7.429 -40.800 1.00 56.90 ? 406 PYR A C 1 +HETATM 6000 O O . PYR G 6 . ? -6.283 6.301 -40.895 1.00 57.50 ? 406 PYR A O 1 +HETATM 6001 O OXT . PYR G 6 . ? -8.258 7.366 -40.833 1.00 56.71 ? 406 PYR A OXT 1 +HETATM 6002 C CA . PYR G 6 . ? -6.295 8.664 -40.657 1.00 57.62 ? 406 PYR A CA 1 +HETATM 6003 O O3 . PYR G 6 . ? -6.927 9.794 -40.892 1.00 60.52 ? 406 PYR A O3 1 +HETATM 6004 C CB . PYR G 6 . ? -4.859 8.740 -40.223 1.00 55.28 ? 406 PYR A CB 1 +HETATM 6005 H HB1 . PYR G 6 . ? -4.210 8.649 -41.094 1.00 66.34 ? 406 PYR A HB1 1 +HETATM 6006 H HB2 . PYR G 6 . ? -4.677 9.697 -39.734 1.00 66.34 ? 406 PYR A HB2 1 +HETATM 6007 H HB3 . PYR G 6 . ? -4.647 7.930 -39.526 1.00 66.34 ? 406 PYR A HB3 1 +HETATM 6008 C C1 A GOL H 7 . ? -13.852 26.587 -1.220 0.82 40.60 ? 407 GOL A C1 1 +HETATM 6009 O O1 A GOL H 7 . ? -13.272 27.014 -2.397 0.82 38.97 ? 407 GOL A O1 1 +HETATM 6010 C C2 A GOL H 7 . ? -14.767 27.657 -0.692 0.82 38.62 ? 407 GOL A C2 1 +HETATM 6011 O O2 A GOL H 7 . ? -15.368 27.265 0.544 0.82 44.83 ? 407 GOL A O2 1 +HETATM 6012 C C3 A GOL H 7 . ? -15.845 27.845 -1.778 0.82 42.10 ? 407 GOL A C3 1 +HETATM 6013 O O3 A GOL H 7 . ? -16.990 28.225 -1.083 0.82 46.84 ? 407 GOL A O3 1 +HETATM 6014 H H11 A GOL H 7 . ? -13.190 26.384 -0.541 0.82 48.72 ? 407 GOL A H11 1 +HETATM 6015 H H12 A GOL H 7 . ? -14.366 25.774 -1.342 0.82 48.72 ? 407 GOL A H12 1 +HETATM 6016 H H2 A GOL H 7 . ? -14.269 28.474 -0.533 0.82 46.35 ? 407 GOL A H2 1 +HETATM 6017 H HO2 A GOL H 7 . ? -16.146 27.605 0.570 0.82 53.80 ? 407 GOL A HO2 1 +HETATM 6018 H H31 A GOL H 7 . ? -15.946 27.021 -2.280 0.82 50.52 ? 407 GOL A H31 1 +HETATM 6019 H H32 A GOL H 7 . ? -15.542 28.503 -2.423 0.82 50.52 ? 407 GOL A H32 1 +HETATM 6020 N N . SAH I 8 . ? -17.865 17.003 -26.042 1.00 15.52 ? 408 SAH A N 1 +HETATM 6021 C CA . SAH I 8 . ? -17.075 17.569 -24.928 1.00 13.98 ? 408 SAH A CA 1 +HETATM 6022 C CB . SAH I 8 . ? -17.070 16.718 -23.687 1.00 16.79 ? 408 SAH A CB 1 +HETATM 6023 C CG . SAH I 8 . ? -17.189 15.242 -23.847 1.00 18.34 ? 408 SAH A CG 1 +HETATM 6024 S SD . SAH I 8 . ? -15.779 14.412 -24.570 1.00 19.12 ? 408 SAH A SD 1 +HETATM 6025 C C . SAH I 8 . ? -15.673 17.890 -25.432 1.00 15.58 ? 408 SAH A C 1 +HETATM 6026 O O . SAH I 8 . ? -14.983 18.683 -24.861 1.00 15.41 ? 408 SAH A O 1 +HETATM 6027 O OXT . SAH I 8 . ? -15.354 17.308 -26.538 1.00 16.89 ? 408 SAH A OXT 1 +HETATM 6028 C C5' . SAH I 8 . ? -14.672 14.417 -23.123 1.00 19.70 ? 408 SAH A C5' 1 +HETATM 6029 C C4' . SAH I 8 . ? -13.223 14.058 -23.438 1.00 16.19 ? 408 SAH A C4' 1 +HETATM 6030 O O4' . SAH I 8 . ? -13.100 12.691 -23.698 1.00 17.08 ? 408 SAH A O4' 1 +HETATM 6031 C C3' . SAH I 8 . ? -12.552 14.719 -24.616 1.00 14.58 ? 408 SAH A C3' 1 +HETATM 6032 O O3' . SAH I 8 . ? -12.114 16.019 -24.243 1.00 16.83 ? 408 SAH A O3' 1 +HETATM 6033 C C2' . SAH I 8 . ? -11.375 13.766 -24.892 1.00 14.50 ? 408 SAH A C2' 1 +HETATM 6034 O O2' . SAH I 8 . ? -10.169 14.207 -24.323 1.00 16.84 ? 408 SAH A O2' 1 +HETATM 6035 C C1' . SAH I 8 . ? -11.815 12.456 -24.215 1.00 14.78 ? 408 SAH A C1' 1 +HETATM 6036 N N9 . SAH I 8 . ? -11.906 11.313 -25.151 1.00 13.49 ? 408 SAH A N9 1 +HETATM 6037 C C8 . SAH I 8 . ? -12.756 11.213 -26.252 1.00 15.31 ? 408 SAH A C8 1 +HETATM 6038 N N7 . SAH I 8 . ? -12.456 10.119 -26.909 1.00 14.76 ? 408 SAH A N7 1 +HETATM 6039 C C5 . SAH I 8 . ? -11.389 9.515 -26.298 1.00 14.68 ? 408 SAH A C5 1 +HETATM 6040 C C6 . SAH I 8 . ? -10.636 8.377 -26.563 1.00 14.06 ? 408 SAH A C6 1 +HETATM 6041 N N6 . SAH I 8 . ? -10.879 7.568 -27.608 1.00 14.29 ? 408 SAH A N6 1 +HETATM 6042 N N1 . SAH I 8 . ? -9.616 8.087 -25.732 1.00 14.25 ? 408 SAH A N1 1 +HETATM 6043 C C2 . SAH I 8 . ? -9.355 8.843 -24.658 1.00 14.58 ? 408 SAH A C2 1 +HETATM 6044 N N3 . SAH I 8 . ? -10.058 9.951 -24.351 1.00 14.39 ? 408 SAH A N3 1 +HETATM 6045 C C4 . SAH I 8 . ? -11.056 10.289 -25.186 1.00 13.52 ? 408 SAH A C4 1 +HETATM 6046 H H2 . SAH I 8 . ? -8.536 8.548 -24.001 1.00 17.50 ? 408 SAH A H2 1 +HETATM 6047 H HN1 . SAH I 8 . ? -18.702 16.964 -25.862 1.00 18.63 ? 408 SAH A HN1 1 +HETATM 6048 H HN2 . SAH I 8 . ? -17.937 17.520 -26.725 1.00 18.63 ? 408 SAH A HN2 1 +HETATM 6049 H HA . SAH I 8 . ? -17.499 18.396 -24.617 1.00 16.78 ? 408 SAH A HA 1 +HETATM 6050 H HB1 . SAH I 8 . ? -17.894 17.054 -23.058 1.00 20.14 ? 408 SAH A HB1 1 +HETATM 6051 H HB2 . SAH I 8 . ? -16.139 16.922 -23.156 1.00 20.14 ? 408 SAH A HB2 1 +HETATM 6052 H HG1 . SAH I 8 . ? -18.060 15.038 -24.470 1.00 22.01 ? 408 SAH A HG1 1 +HETATM 6053 H HG2 . SAH I 8 . ? -17.371 14.808 -22.864 1.00 22.01 ? 408 SAH A HG2 1 +HETATM 6054 H H5'1 . SAH I 8 . ? -15.055 13.708 -22.390 1.00 23.64 ? 408 SAH A H5'1 1 +HETATM 6055 H H5'2 . SAH I 8 . ? -14.694 15.410 -22.673 1.00 23.64 ? 408 SAH A H5'2 1 +HETATM 6056 H H4' . SAH I 8 . ? -12.727 14.413 -22.535 1.00 19.42 ? 408 SAH A H4' 1 +HETATM 6057 H H3' . SAH I 8 . ? -13.187 14.869 -25.489 1.00 17.50 ? 408 SAH A H3' 1 +HETATM 6058 H HO3' . SAH I 8 . ? -11.135 16.058 -24.286 1.00 20.20 ? 408 SAH A HO3' 1 +HETATM 6059 H H2' . SAH I 8 . ? -11.171 13.682 -25.960 1.00 17.40 ? 408 SAH A H2' 1 +HETATM 6060 H HO2' . SAH I 8 . ? -9.811 13.509 -23.735 1.00 20.21 ? 408 SAH A HO2' 1 +HETATM 6061 H H1' . SAH I 8 . ? -11.067 12.204 -23.464 1.00 17.74 ? 408 SAH A H1' 1 +HETATM 6062 H H8 . SAH I 8 . ? -13.537 11.924 -26.520 1.00 18.37 ? 408 SAH A H8 1 +HETATM 6063 H HN61 . SAH I 8 . ? -11.640 7.777 -28.246 1.00 17.15 ? 408 SAH A HN61 1 +HETATM 6064 H HN62 . SAH I 8 . ? -10.300 6.747 -27.760 1.00 17.15 ? 408 SAH A HN62 1 +HETATM 6065 P P . PO4 J 9 . ? 8.003 28.971 -13.083 1.00 78.39 ? 409 PO4 A P 1 +HETATM 6066 O O1 . PO4 J 9 . ? 8.416 28.801 -14.525 1.00 78.44 ? 409 PO4 A O1 1 +HETATM 6067 O O2 . PO4 J 9 . ? 6.834 28.065 -12.775 1.00 77.58 ? 409 PO4 A O2 1 +HETATM 6068 O O3 . PO4 J 9 . ? 7.594 30.403 -12.845 1.00 80.67 ? 409 PO4 A O3 1 +HETATM 6069 O O4 . PO4 J 9 . ? 9.166 28.635 -12.171 1.00 79.12 ? 409 PO4 A O4 1 +HETATM 6070 P P . PO4 K 9 . ? -15.521 5.422 -12.462 0.96 29.98 ? 410 PO4 A P 1 +HETATM 6071 O O1 . PO4 K 9 . ? -15.041 6.241 -13.574 0.96 34.04 ? 410 PO4 A O1 1 +HETATM 6072 O O2 . PO4 K 9 . ? -14.487 4.409 -12.015 0.96 34.36 ? 410 PO4 A O2 1 +HETATM 6073 O O3 . PO4 K 9 . ? -16.639 4.543 -13.013 0.96 40.68 ? 410 PO4 A O3 1 +HETATM 6074 O O4 . PO4 K 9 . ? -16.024 6.091 -11.297 0.96 30.35 ? 410 PO4 A O4 1 +HETATM 6075 P P A PO4 L 9 . ? 4.639 4.645 -8.181 0.46 42.84 ? 411 PO4 A P 1 +HETATM 6076 P P B PO4 L 9 . ? 6.483 6.365 -6.973 0.54 48.42 ? 411 PO4 A P 1 +HETATM 6077 O O1 A PO4 L 9 . ? 5.005 3.882 -9.445 0.46 41.03 ? 411 PO4 A O1 1 +HETATM 6078 O O1 B PO4 L 9 . ? 6.594 4.861 -7.019 0.54 49.69 ? 411 PO4 A O1 1 +HETATM 6079 O O2 A PO4 L 9 . ? 3.153 4.486 -7.791 0.46 36.41 ? 411 PO4 A O2 1 +HETATM 6080 O O2 B PO4 L 9 . ? 5.039 6.730 -7.266 0.54 44.99 ? 411 PO4 A O2 1 +HETATM 6081 O O3 A PO4 L 9 . ? 5.458 4.200 -7.004 0.46 41.84 ? 411 PO4 A O3 1 +HETATM 6082 O O3 B PO4 L 9 . ? 6.801 6.865 -5.574 0.54 41.11 ? 411 PO4 A O3 1 +HETATM 6083 O O4 A PO4 L 9 . ? 4.939 6.108 -8.399 0.46 43.47 ? 411 PO4 A O4 1 +HETATM 6084 O O4 B PO4 L 9 . ? 7.424 6.948 -7.999 0.54 50.62 ? 411 PO4 A O4 1 +HETATM 6085 P P . PO4 M 9 . ? -16.748 -1.865 -23.510 0.66 49.03 ? 412 PO4 A P 1 +HETATM 6086 O O1 . PO4 M 9 . ? -15.705 -1.770 -24.582 0.66 50.10 ? 412 PO4 A O1 1 +HETATM 6087 O O2 . PO4 M 9 . ? -17.149 -3.323 -23.348 0.66 51.67 ? 412 PO4 A O2 1 +HETATM 6088 O O3 . PO4 M 9 . ? -17.957 -1.021 -23.834 0.66 43.93 ? 412 PO4 A O3 1 +HETATM 6089 O O4 . PO4 M 9 . ? -16.196 -1.448 -22.192 0.66 45.55 ? 412 PO4 A O4 1 +HETATM 6090 P P . PO4 N 9 . ? 12.855 26.598 -26.938 0.64 42.51 ? 413 PO4 A P 1 +HETATM 6091 O O1 . PO4 N 9 . ? 11.669 26.549 -27.867 0.64 41.15 ? 413 PO4 A O1 1 +HETATM 6092 O O2 . PO4 N 9 . ? 14.012 25.826 -27.549 0.64 41.85 ? 413 PO4 A O2 1 +HETATM 6093 O O3 . PO4 N 9 . ? 12.564 26.065 -25.530 0.64 40.27 ? 413 PO4 A O3 1 +HETATM 6094 O O4 . PO4 N 9 . ? 13.258 28.030 -26.750 0.64 41.72 ? 413 PO4 A O4 1 +HETATM 6095 CL CL . CL O 10 . ? -13.656 20.424 -11.485 1.00 18.89 ? 414 CL A CL 1 +HETATM 6096 FE FE1 . SF4 P 11 . ? -16.704 13.168 -28.652 1.00 14.51 3 415 SF4 A FE1 1 +HETATM 6097 FE FE2 . SF4 P 11 . ? -18.415 15.035 -29.544 1.00 14.51 3 415 SF4 A FE2 1 +HETATM 6098 FE FE3 . SF4 P 11 . ? -15.796 15.239 -30.166 1.00 14.69 3 415 SF4 A FE3 1 +HETATM 6099 FE FE4 . SF4 P 11 . ? -16.618 15.773 -27.438 1.00 16.40 3 415 SF4 A FE4 1 +HETATM 6100 S S1 . SF4 P 11 . ? -17.092 16.926 -29.468 1.00 15.42 ? 415 SF4 A S1 1 +HETATM 6101 S S2 . SF4 P 11 . ? -14.845 14.451 -28.213 1.00 14.86 ? 415 SF4 A S2 1 +HETATM 6102 S S3 . SF4 P 11 . ? -18.333 14.121 -27.454 1.00 14.72 ? 415 SF4 A S3 1 +HETATM 6103 S S4 . SF4 P 11 . ? -17.281 13.593 -30.861 1.00 14.95 ? 415 SF4 A S4 1 +HETATM 6104 O O . HOH Q 12 . ? -19.612 -2.124 -23.261 1.00 49.98 ? 501 HOH A O 1 +HETATM 6105 O O . HOH Q 12 . ? -19.483 2.481 -28.077 1.00 42.55 ? 502 HOH A O 1 +HETATM 6106 O O . HOH Q 12 . ? -3.580 12.739 4.824 1.00 33.48 ? 503 HOH A O 1 +HETATM 6107 O O . HOH Q 12 . ? 9.623 16.996 -34.751 1.00 58.83 ? 504 HOH A O 1 +HETATM 6108 O O . HOH Q 12 . ? -0.212 11.671 3.131 1.00 43.13 ? 505 HOH A O 1 +HETATM 6109 O O . HOH Q 12 . ? -17.845 2.970 -14.130 1.00 50.92 ? 506 HOH A O 1 +HETATM 6110 O O . HOH Q 12 . ? -9.806 24.224 -10.622 1.00 21.54 ? 507 HOH A O 1 +HETATM 6111 O O . HOH Q 12 . ? -3.109 18.950 3.117 1.00 34.26 ? 508 HOH A O 1 +HETATM 6112 O O . HOH Q 12 . ? 28.212 14.334 -26.678 1.00 43.38 ? 509 HOH A O 1 +HETATM 6113 O O . HOH Q 12 . ? 15.689 14.100 -26.332 1.00 34.64 ? 510 HOH A O 1 +HETATM 6114 O O . HOH Q 12 . ? -16.465 -1.949 -19.827 1.00 53.36 ? 511 HOH A O 1 +HETATM 6115 O O . HOH Q 12 . ? -23.392 12.083 -32.002 0.40 13.83 ? 512 HOH A O 1 +HETATM 6116 O O . HOH Q 12 . ? 10.315 15.426 -0.555 1.00 40.07 ? 513 HOH A O 1 +HETATM 6117 O O . HOH Q 12 . ? 31.507 8.327 -31.330 1.00 60.62 ? 514 HOH A O 1 +HETATM 6118 O O . HOH Q 12 . ? 10.588 19.241 -28.950 1.00 50.03 ? 515 HOH A O 1 +HETATM 6119 O O . HOH Q 12 . ? -14.021 2.041 -11.512 1.00 43.52 ? 516 HOH A O 1 +HETATM 6120 O O . HOH Q 12 . ? 6.188 2.144 -5.839 1.00 56.79 ? 517 HOH A O 1 +HETATM 6121 O O . HOH Q 12 . ? -11.118 16.128 4.522 1.00 58.42 ? 518 HOH A O 1 +HETATM 6122 O O . HOH Q 12 . ? -38.708 14.790 -9.112 1.00 50.04 ? 519 HOH A O 1 +HETATM 6123 O O . HOH Q 12 . ? -31.457 32.688 -23.397 1.00 52.45 ? 520 HOH A O 1 +HETATM 6124 O O . HOH Q 12 . ? -20.175 6.486 -18.436 1.00 31.42 ? 521 HOH A O 1 +HETATM 6125 O O . HOH Q 12 . ? -14.726 8.734 -13.977 1.00 22.71 ? 522 HOH A O 1 +HETATM 6126 O O . HOH Q 12 . ? 31.785 16.068 -31.640 1.00 31.00 ? 523 HOH A O 1 +HETATM 6127 O O . HOH Q 12 . ? 25.322 3.519 -18.036 1.00 52.13 ? 524 HOH A O 1 +HETATM 6128 O O . HOH Q 12 . ? 0.189 33.909 -24.603 1.00 58.60 ? 525 HOH A O 1 +HETATM 6129 O O . HOH Q 12 . ? -13.917 30.075 -8.921 1.00 50.11 ? 526 HOH A O 1 +HETATM 6130 O O . HOH Q 12 . ? -19.447 20.271 -38.644 1.00 48.16 ? 527 HOH A O 1 +HETATM 6131 O O . HOH Q 12 . ? -10.654 32.843 -15.288 1.00 42.06 ? 528 HOH A O 1 +HETATM 6132 O O . HOH Q 12 . ? 31.954 12.640 -36.060 1.00 52.70 ? 529 HOH A O 1 +HETATM 6133 O O . HOH Q 12 . ? -1.366 29.858 -27.073 1.00 47.88 ? 530 HOH A O 1 +HETATM 6134 O O . HOH Q 12 . ? 5.458 9.082 -5.490 1.00 41.01 ? 531 HOH A O 1 +HETATM 6135 O O . HOH Q 12 . ? -20.468 1.896 -30.399 1.00 26.77 ? 532 HOH A O 1 +HETATM 6136 O O . HOH Q 12 . ? -0.226 9.577 1.206 1.00 37.49 ? 533 HOH A O 1 +HETATM 6137 O O . HOH Q 12 . ? -36.118 19.555 -21.132 1.00 39.30 ? 534 HOH A O 1 +HETATM 6138 O O . HOH Q 12 . ? -19.441 11.130 -42.836 1.00 38.58 ? 535 HOH A O 1 +HETATM 6139 O O . HOH Q 12 . ? 6.778 3.634 -21.949 1.00 35.27 ? 536 HOH A O 1 +HETATM 6140 O O . HOH Q 12 . ? -0.340 15.133 -24.996 1.00 20.48 ? 537 HOH A O 1 +HETATM 6141 O O . HOH Q 12 . ? 2.721 20.302 -31.818 1.00 18.51 ? 538 HOH A O 1 +HETATM 6142 O O . HOH Q 12 . ? -8.531 29.134 -20.631 1.00 43.03 ? 539 HOH A O 1 +HETATM 6143 O O . HOH Q 12 . ? -25.693 6.323 -32.730 1.00 23.27 ? 540 HOH A O 1 +HETATM 6144 O O . HOH Q 12 . ? -25.982 0.363 -15.925 1.00 29.45 ? 541 HOH A O 1 +HETATM 6145 O O . HOH Q 12 . ? -11.256 26.782 2.544 1.00 53.51 ? 542 HOH A O 1 +HETATM 6146 O O . HOH Q 12 . ? -21.510 12.913 -40.833 1.00 37.73 ? 543 HOH A O 1 +HETATM 6147 O O . HOH Q 12 . ? 11.126 28.822 -14.667 1.00 48.60 ? 544 HOH A O 1 +HETATM 6148 O O . HOH Q 12 . ? -17.772 -2.993 -33.537 1.00 62.34 ? 545 HOH A O 1 +HETATM 6149 O O . HOH Q 12 . ? 2.113 3.162 -5.742 1.00 51.65 ? 546 HOH A O 1 +HETATM 6150 O O . HOH Q 12 . ? 0.693 12.372 0.245 1.00 35.31 ? 547 HOH A O 1 +HETATM 6151 O O . HOH Q 12 . ? -18.510 1.467 -3.267 1.00 30.52 ? 548 HOH A O 1 +HETATM 6152 O O . HOH Q 12 . ? -17.018 8.559 -40.349 1.00 28.83 ? 549 HOH A O 1 +HETATM 6153 O O . HOH Q 12 . ? -0.182 17.076 -29.242 1.00 16.38 ? 550 HOH A O 1 +HETATM 6154 O O . HOH Q 12 . ? 6.877 20.656 -32.458 1.00 39.93 ? 551 HOH A O 1 +HETATM 6155 O O . HOH Q 12 . ? 3.030 15.199 -35.539 1.00 29.99 ? 552 HOH A O 1 +HETATM 6156 O O . HOH Q 12 . ? -28.860 1.206 -21.715 1.00 26.90 ? 553 HOH A O 1 +HETATM 6157 O O . HOH Q 12 . ? -9.241 9.834 3.728 1.00 25.41 ? 554 HOH A O 1 +HETATM 6158 O O . HOH Q 12 . ? 13.514 18.197 -31.714 1.00 54.28 ? 555 HOH A O 1 +HETATM 6159 O O . HOH Q 12 . ? -22.724 -2.700 -6.157 1.00 52.79 ? 556 HOH A O 1 +HETATM 6160 O O . HOH Q 12 . ? -12.712 30.897 -33.308 1.00 34.61 ? 557 HOH A O 1 +HETATM 6161 O O . HOH Q 12 . ? -6.255 -0.469 -31.810 1.00 21.66 ? 558 HOH A O 1 +HETATM 6162 O O . HOH Q 12 . ? -11.128 10.607 -12.365 1.00 15.66 ? 559 HOH A O 1 +HETATM 6163 O O . HOH Q 12 . ? -12.335 28.638 -4.301 1.00 56.55 ? 560 HOH A O 1 +HETATM 6164 O O . HOH Q 12 . ? -29.615 30.734 -20.548 1.00 27.89 ? 561 HOH A O 1 +HETATM 6165 O O . HOH Q 12 . ? -17.301 0.829 -21.328 1.00 39.78 ? 562 HOH A O 1 +HETATM 6166 O O . HOH Q 12 . ? -12.795 16.926 -28.272 1.00 20.96 ? 563 HOH A O 1 +HETATM 6167 O O . HOH Q 12 . ? -9.845 14.156 -41.102 1.00 28.62 ? 564 HOH A O 1 +HETATM 6168 O O . HOH Q 12 . ? 0.752 1.438 -26.803 1.00 33.71 ? 565 HOH A O 1 +HETATM 6169 O O . HOH Q 12 . ? 1.141 13.216 -6.111 1.00 16.78 ? 566 HOH A O 1 +HETATM 6170 O O . HOH Q 12 . ? -16.987 24.327 -32.882 1.00 19.77 ? 567 HOH A O 1 +HETATM 6171 O O . HOH Q 12 . ? -30.310 4.488 -11.682 1.00 36.66 ? 568 HOH A O 1 +HETATM 6172 O O . HOH Q 12 . ? -26.742 37.552 -24.904 1.00 50.63 ? 569 HOH A O 1 +HETATM 6173 O O . HOH Q 12 . ? -2.417 6.043 -31.888 1.00 18.29 ? 570 HOH A O 1 +HETATM 6174 O O . HOH Q 12 . ? -23.553 17.835 -37.216 1.00 40.95 ? 571 HOH A O 1 +HETATM 6175 O O . HOH Q 12 . ? -8.686 0.039 -27.591 1.00 24.52 ? 572 HOH A O 1 +HETATM 6176 O O . HOH Q 12 . ? -7.797 3.391 -11.015 1.00 19.69 ? 573 HOH A O 1 +HETATM 6177 O O . HOH Q 12 . ? 10.253 26.996 -22.160 1.00 54.81 ? 574 HOH A O 1 +HETATM 6178 O O . HOH Q 12 . ? -21.472 17.411 -0.642 1.00 21.96 ? 575 HOH A O 1 +HETATM 6179 O O . HOH Q 12 . ? -11.962 1.768 -3.357 1.00 41.60 ? 576 HOH A O 1 +HETATM 6180 O O . HOH Q 12 . ? -24.868 -4.658 -14.546 1.00 44.85 ? 577 HOH A O 1 +HETATM 6181 O O . HOH Q 12 . ? 26.050 19.386 -14.204 1.00 51.92 ? 578 HOH A O 1 +HETATM 6182 O O . HOH Q 12 . ? -34.361 10.487 -20.191 1.00 21.21 ? 579 HOH A O 1 +HETATM 6183 O O . HOH Q 12 . ? -16.476 11.722 -18.340 1.00 17.96 ? 580 HOH A O 1 +HETATM 6184 O O . HOH Q 12 . ? -26.814 30.465 -9.422 1.00 26.10 ? 581 HOH A O 1 +HETATM 6185 O O . HOH Q 12 . ? 0.067 26.345 -11.271 1.00 20.13 ? 582 HOH A O 1 +HETATM 6186 O O . HOH Q 12 . ? 12.712 11.654 -28.585 1.00 40.25 ? 583 HOH A O 1 +HETATM 6187 O O . HOH Q 12 . ? -9.223 25.826 -1.229 1.00 41.55 ? 584 HOH A O 1 +HETATM 6188 O O . HOH Q 12 . ? -15.663 33.121 -27.991 1.00 48.41 ? 585 HOH A O 1 +HETATM 6189 O O . HOH Q 12 . ? -7.832 31.258 -11.540 1.00 43.88 ? 586 HOH A O 1 +HETATM 6190 O O . HOH Q 12 . ? -21.152 4.792 -9.353 1.00 36.32 ? 587 HOH A O 1 +HETATM 6191 O O . HOH Q 12 . ? -29.187 10.623 0.352 1.00 31.03 ? 588 HOH A O 1 +HETATM 6192 O O . HOH Q 12 . ? -1.003 3.755 -34.636 1.00 26.30 ? 589 HOH A O 1 +HETATM 6193 O O . HOH Q 12 . ? -22.139 5.673 -12.441 1.00 31.43 ? 590 HOH A O 1 +HETATM 6194 O O . HOH Q 12 . ? -13.384 19.307 -2.852 1.00 16.77 ? 591 HOH A O 1 +HETATM 6195 O O . HOH Q 12 . ? -27.292 26.140 -30.276 1.00 38.70 ? 592 HOH A O 1 +HETATM 6196 O O . HOH Q 12 . ? -15.977 19.745 -28.188 1.00 18.33 ? 593 HOH A O 1 +HETATM 6197 O O . HOH Q 12 . ? 19.736 10.036 -22.273 1.00 65.24 ? 594 HOH A O 1 +HETATM 6198 O O . HOH Q 12 . ? 26.343 12.134 -30.096 1.00 57.68 ? 595 HOH A O 1 +HETATM 6199 O O . HOH Q 12 . ? -22.053 6.331 -40.313 1.00 36.31 ? 596 HOH A O 1 +HETATM 6200 O O . HOH Q 12 . ? -0.839 25.488 -31.136 1.00 30.64 ? 597 HOH A O 1 +HETATM 6201 O O . HOH Q 12 . ? -14.636 17.588 -34.810 1.00 19.30 ? 598 HOH A O 1 +HETATM 6202 O O . HOH Q 12 . ? -32.304 6.511 -25.025 1.00 29.85 ? 599 HOH A O 1 +HETATM 6203 O O . HOH Q 12 . ? -4.580 25.139 -5.949 1.00 17.49 ? 600 HOH A O 1 +HETATM 6204 O O . HOH Q 12 . ? -15.146 30.748 -11.198 1.00 26.87 ? 601 HOH A O 1 +HETATM 6205 O O . HOH Q 12 . ? -1.538 33.659 -15.155 1.00 58.65 ? 602 HOH A O 1 +HETATM 6206 O O . HOH Q 12 . ? -17.973 -2.923 -18.582 1.00 69.52 ? 603 HOH A O 1 +HETATM 6207 O O . HOH Q 12 . ? -32.419 8.709 -14.195 1.00 46.94 ? 604 HOH A O 1 +HETATM 6208 O O . HOH Q 12 . ? -28.792 29.221 -8.030 1.00 24.15 ? 605 HOH A O 1 +HETATM 6209 O O . HOH Q 12 . ? -3.210 25.173 -3.460 1.00 23.18 ? 606 HOH A O 1 +HETATM 6210 O O . HOH Q 12 . ? -7.604 31.165 -15.243 1.00 54.73 ? 607 HOH A O 1 +HETATM 6211 O O . HOH Q 12 . ? 7.045 16.165 -34.574 1.00 35.82 ? 608 HOH A O 1 +HETATM 6212 O O . HOH Q 12 . ? -20.241 30.578 -9.228 1.00 37.21 ? 609 HOH A O 1 +HETATM 6213 O O . HOH Q 12 . ? -20.442 31.912 -11.920 1.00 25.05 ? 610 HOH A O 1 +HETATM 6214 O O . HOH Q 12 . ? -6.460 23.379 -36.316 1.00 17.84 ? 611 HOH A O 1 +HETATM 6215 O O . HOH Q 12 . ? 1.342 8.830 -30.807 1.00 23.32 ? 612 HOH A O 1 +HETATM 6216 O O . HOH Q 12 . ? -3.633 15.850 -2.853 1.00 17.86 ? 613 HOH A O 1 +HETATM 6217 O O . HOH Q 12 . ? -3.689 33.216 -21.746 1.00 44.06 ? 614 HOH A O 1 +HETATM 6218 O O . HOH Q 12 . ? 14.805 3.627 -24.971 1.00 53.15 ? 615 HOH A O 1 +HETATM 6219 O O . HOH Q 12 . ? -31.949 12.507 -2.458 1.00 31.25 ? 616 HOH A O 1 +HETATM 6220 O O . HOH Q 12 . ? -5.378 19.266 -3.422 1.00 17.10 ? 617 HOH A O 1 +HETATM 6221 O O . HOH Q 12 . ? -8.136 24.302 -3.206 1.00 24.99 ? 618 HOH A O 1 +HETATM 6222 O O . HOH Q 12 . ? -4.919 19.956 0.309 1.00 22.53 ? 619 HOH A O 1 +HETATM 6223 O O . HOH Q 12 . ? -1.748 26.645 -13.316 1.00 23.41 ? 620 HOH A O 1 +HETATM 6224 O O . HOH Q 12 . ? 0.903 21.902 1.340 1.00 28.97 ? 621 HOH A O 1 +HETATM 6225 O O . HOH Q 12 . ? 5.606 18.376 -34.061 1.00 31.05 ? 622 HOH A O 1 +HETATM 6226 O O . HOH Q 12 . ? -6.979 28.918 -16.427 1.00 41.11 ? 623 HOH A O 1 +HETATM 6227 O O . HOH Q 12 . ? -18.365 36.907 -16.324 1.00 44.64 ? 624 HOH A O 1 +HETATM 6228 O O . HOH Q 12 . ? -18.195 -1.150 -29.755 1.00 40.07 ? 625 HOH A O 1 +HETATM 6229 O O . HOH Q 12 . ? -17.176 2.107 -23.368 1.00 34.92 ? 626 HOH A O 1 +HETATM 6230 O O . HOH Q 12 . ? -8.252 0.935 -12.397 1.00 22.03 ? 627 HOH A O 1 +HETATM 6231 O O . HOH Q 12 . ? -8.503 35.168 -21.734 1.00 25.55 ? 628 HOH A O 1 +HETATM 6232 O O . HOH Q 12 . ? -2.242 12.676 -42.388 1.00 52.46 ? 629 HOH A O 1 +HETATM 6233 O O . HOH Q 12 . ? -9.902 -0.228 -22.822 1.00 22.17 ? 630 HOH A O 1 +HETATM 6234 O O . HOH Q 12 . ? -29.247 3.527 -8.201 1.00 31.81 ? 631 HOH A O 1 +HETATM 6235 O O . HOH Q 12 . ? -32.086 22.862 -6.282 1.00 27.72 ? 632 HOH A O 1 +HETATM 6236 O O . HOH Q 12 . ? -32.091 12.932 -5.277 1.00 29.53 ? 633 HOH A O 1 +HETATM 6237 O O . HOH Q 12 . ? -17.133 16.883 -40.054 1.00 22.38 ? 634 HOH A O 1 +HETATM 6238 O O . HOH Q 12 . ? -32.260 11.250 -11.032 1.00 26.68 ? 635 HOH A O 1 +HETATM 6239 O O . HOH Q 12 . ? 15.019 6.819 -8.788 1.00 35.56 ? 636 HOH A O 1 +HETATM 6240 O O . HOH Q 12 . ? -10.544 -0.933 -31.663 1.00 28.29 ? 637 HOH A O 1 +HETATM 6241 O O . HOH Q 12 . ? -7.685 1.760 -4.210 1.00 45.41 ? 638 HOH A O 1 +HETATM 6242 O O . HOH Q 12 . ? -13.602 3.326 -8.040 1.00 50.79 ? 639 HOH A O 1 +HETATM 6243 O O . HOH Q 12 . ? -4.828 15.152 -15.640 1.00 14.27 ? 640 HOH A O 1 +HETATM 6244 O O . HOH Q 12 . ? -28.050 33.039 -17.270 1.00 32.39 ? 641 HOH A O 1 +HETATM 6245 O O . HOH Q 12 . ? -8.864 22.700 -0.280 1.00 40.91 ? 642 HOH A O 1 +HETATM 6246 O O . HOH Q 12 . ? -5.710 9.248 5.254 1.00 38.34 ? 643 HOH A O 1 +HETATM 6247 O O . HOH Q 12 . ? 9.687 24.796 -3.342 1.00 53.73 ? 644 HOH A O 1 +HETATM 6248 O O . HOH Q 12 . ? -35.243 23.488 -18.137 1.00 44.90 ? 645 HOH A O 1 +HETATM 6249 O O . HOH Q 12 . ? 2.192 10.063 -2.942 1.00 24.78 ? 646 HOH A O 1 +HETATM 6250 O O . HOH Q 12 . ? 1.145 7.531 -34.973 1.00 37.64 ? 647 HOH A O 1 +HETATM 6251 O O . HOH Q 12 . ? 0.496 1.527 -21.655 1.00 36.85 ? 648 HOH A O 1 +HETATM 6252 O O . HOH Q 12 . ? -17.804 6.144 -36.523 1.00 20.08 ? 649 HOH A O 1 +HETATM 6253 O O . HOH Q 12 . ? -16.357 9.074 -16.311 1.00 30.66 ? 650 HOH A O 1 +HETATM 6254 O O . HOH Q 12 . ? -23.168 26.702 -4.626 1.00 21.69 ? 651 HOH A O 1 +HETATM 6255 O O . HOH Q 12 . ? 13.345 13.218 -7.443 1.00 35.81 ? 652 HOH A O 1 +HETATM 6256 O O . HOH Q 12 . ? -14.018 26.975 -7.123 1.00 26.23 ? 653 HOH A O 1 +HETATM 6257 O O . HOH Q 12 . ? -6.340 23.173 -5.437 1.00 21.76 ? 654 HOH A O 1 +HETATM 6258 O O . HOH Q 12 . ? 14.632 1.002 -16.969 1.00 28.18 ? 655 HOH A O 1 +HETATM 6259 O O . HOH Q 12 . ? -13.254 -2.191 -35.389 1.00 37.62 ? 656 HOH A O 1 +HETATM 6260 O O . HOH Q 12 . ? 1.036 19.486 -29.691 1.00 16.72 ? 657 HOH A O 1 +HETATM 6261 O O . HOH Q 12 . ? -20.599 1.920 -10.056 1.00 40.11 ? 658 HOH A O 1 +HETATM 6262 O O . HOH Q 12 . ? -9.170 1.404 -8.831 1.00 53.84 ? 659 HOH A O 1 +HETATM 6263 O O . HOH Q 12 . ? -10.468 29.153 -6.468 1.00 30.38 ? 660 HOH A O 1 +HETATM 6264 O O . HOH Q 12 . ? 4.266 6.633 0.492 1.00 61.51 ? 661 HOH A O 1 +HETATM 6265 O O . HOH Q 12 . ? -9.545 10.755 -21.713 1.00 26.42 ? 662 HOH A O 1 +HETATM 6266 O O . HOH Q 12 . ? -9.873 17.192 -41.315 1.00 27.72 ? 663 HOH A O 1 +HETATM 6267 O O . HOH Q 12 . ? -11.505 9.538 2.085 1.00 26.38 ? 664 HOH A O 1 +HETATM 6268 O O . HOH Q 12 . ? 0.740 30.266 -8.913 1.00 33.42 ? 665 HOH A O 1 +HETATM 6269 O O . HOH Q 12 . ? -7.011 32.906 -9.025 1.00 56.44 ? 666 HOH A O 1 +HETATM 6270 O O . HOH Q 12 . ? -15.990 20.424 -22.917 1.00 15.54 ? 667 HOH A O 1 +HETATM 6271 O O . HOH Q 12 . ? 25.734 17.226 -20.381 1.00 60.23 ? 668 HOH A O 1 +HETATM 6272 O O . HOH Q 12 . ? 0.911 5.162 -28.498 1.00 36.69 ? 669 HOH A O 1 +HETATM 6273 O O . HOH Q 12 . ? -23.484 -0.343 -26.798 1.00 58.56 ? 670 HOH A O 1 +HETATM 6274 O O . HOH Q 12 . ? 3.134 2.065 -20.374 1.00 21.34 ? 671 HOH A O 1 +HETATM 6275 O O . HOH Q 12 . ? -10.789 5.844 -31.455 1.00 16.41 ? 672 HOH A O 1 +HETATM 6276 O O . HOH Q 12 . ? -13.052 18.224 -22.779 1.00 15.54 ? 673 HOH A O 1 +HETATM 6277 O O . HOH Q 12 . ? -14.773 18.967 -5.213 1.00 15.99 ? 674 HOH A O 1 +HETATM 6278 O O . HOH Q 12 . ? -18.701 33.421 -29.805 1.00 36.43 ? 675 HOH A O 1 +HETATM 6279 O O . HOH Q 12 . ? 5.884 25.231 -28.131 1.00 47.66 ? 676 HOH A O 1 +HETATM 6280 O O . HOH Q 12 . ? -15.871 28.936 -7.432 1.00 29.60 ? 677 HOH A O 1 +HETATM 6281 O O . HOH Q 12 . ? -16.338 5.019 1.470 1.00 37.39 ? 678 HOH A O 1 +HETATM 6282 O O . HOH Q 12 . ? -0.612 6.078 -37.417 1.00 49.99 ? 679 HOH A O 1 +HETATM 6283 O O . HOH Q 12 . ? -34.747 22.701 -25.676 1.00 37.99 ? 680 HOH A O 1 +HETATM 6284 O O . HOH Q 12 . ? -7.814 2.490 -37.550 1.00 26.85 ? 681 HOH A O 1 +HETATM 6285 O O . HOH Q 12 . ? 5.368 28.020 -22.349 1.00 29.29 ? 682 HOH A O 1 +HETATM 6286 O O . HOH Q 12 . ? -30.178 7.866 -8.675 1.00 26.35 ? 683 HOH A O 1 +HETATM 6287 O O . HOH Q 12 . ? -5.060 31.275 -14.721 1.00 39.37 ? 684 HOH A O 1 +HETATM 6288 O O . HOH Q 12 . ? 0.775 17.058 1.601 1.00 34.29 ? 685 HOH A O 1 +HETATM 6289 O O . HOH Q 12 . ? -25.509 9.939 -34.440 1.00 30.14 ? 686 HOH A O 1 +HETATM 6290 O O . HOH Q 12 . ? -31.898 24.591 -26.855 1.00 28.58 ? 687 HOH A O 1 +HETATM 6291 O O . HOH Q 12 . ? 18.506 23.044 -22.294 1.00 49.45 ? 688 HOH A O 1 +HETATM 6292 O O . HOH Q 12 . ? -32.530 5.962 -14.513 1.00 35.63 ? 689 HOH A O 1 +HETATM 6293 O O . HOH Q 12 . ? -20.143 8.587 0.362 1.00 39.53 ? 690 HOH A O 1 +HETATM 6294 O O . HOH Q 12 . ? 25.284 6.462 -12.432 1.00 50.85 ? 691 HOH A O 1 +HETATM 6295 O O . HOH Q 12 . ? 1.938 1.226 -24.754 1.00 50.75 ? 692 HOH A O 1 +HETATM 6296 O O . HOH Q 12 . ? -1.141 32.938 -18.717 1.00 42.62 ? 693 HOH A O 1 +HETATM 6297 O O . HOH Q 12 . ? -19.795 -0.664 -11.393 1.00 48.20 ? 694 HOH A O 1 +HETATM 6298 O O . HOH Q 12 . ? 24.414 12.678 -25.466 1.00 43.99 ? 695 HOH A O 1 +HETATM 6299 O O . HOH Q 12 . ? -21.596 -8.099 -10.207 1.00 42.07 ? 696 HOH A O 1 +HETATM 6300 O O . HOH Q 12 . ? -19.904 21.542 -34.874 1.00 26.79 ? 697 HOH A O 1 +HETATM 6301 O O . HOH Q 12 . ? -20.143 0.344 -21.809 1.00 29.31 ? 698 HOH A O 1 +HETATM 6302 O O . HOH Q 12 . ? 2.966 25.149 -27.523 1.00 28.52 ? 699 HOH A O 1 +HETATM 6303 O O . HOH Q 12 . ? -1.013 15.665 -38.748 1.00 53.53 ? 700 HOH A O 1 +HETATM 6304 O O B HOH Q 12 . ? -12.068 26.462 -3.019 1.00 26.67 ? 701 HOH A O 1 +HETATM 6305 O O . HOH Q 12 . ? 7.672 12.617 -3.223 1.00 26.42 ? 702 HOH A O 1 +HETATM 6306 O O . HOH Q 12 . ? -9.627 20.239 -43.323 1.00 42.32 ? 703 HOH A O 1 +HETATM 6307 O O . HOH Q 12 . ? 10.638 22.140 -9.993 1.00 31.74 ? 704 HOH A O 1 +HETATM 6308 O O . HOH Q 12 . ? -5.343 32.149 -4.426 1.00 46.74 ? 705 HOH A O 1 +HETATM 6309 O O . HOH Q 12 . ? 4.302 8.834 -2.263 1.00 52.75 ? 706 HOH A O 1 +HETATM 6310 O O . HOH Q 12 . ? -29.736 24.583 -30.018 1.00 37.65 ? 707 HOH A O 1 +HETATM 6311 O O . HOH Q 12 . ? -22.072 34.809 -28.756 1.00 28.03 ? 708 HOH A O 1 +HETATM 6312 O O . HOH Q 12 . ? -14.858 10.348 -40.557 1.00 28.45 ? 709 HOH A O 1 +HETATM 6313 O O . HOH Q 12 . ? -36.551 22.234 -24.060 1.00 52.21 ? 710 HOH A O 1 +HETATM 6314 O O . HOH Q 12 . ? -7.352 0.018 -22.114 1.00 25.32 ? 711 HOH A O 1 +HETATM 6315 O O . HOH Q 12 . ? -4.642 11.652 -15.306 1.00 13.41 ? 712 HOH A O 1 +HETATM 6316 O O . HOH Q 12 . ? -0.360 9.713 -1.704 1.00 25.43 ? 713 HOH A O 1 +HETATM 6317 O O . HOH Q 12 . ? -0.269 32.452 -9.823 1.00 48.54 ? 714 HOH A O 1 +HETATM 6318 O O . HOH Q 12 . ? 28.466 7.388 -27.828 1.00 46.89 ? 715 HOH A O 1 +HETATM 6319 O O B HOH Q 12 . ? -14.398 26.310 -1.395 0.60 20.49 ? 716 HOH A O 1 +HETATM 6320 O O . HOH Q 12 . ? 22.433 10.661 -23.068 1.00 47.35 ? 717 HOH A O 1 +HETATM 6321 O O . HOH Q 12 . ? -31.178 27.866 -28.289 1.00 46.68 ? 718 HOH A O 1 +HETATM 6322 O O . HOH Q 12 . ? 15.642 23.879 -26.165 1.00 36.50 ? 719 HOH A O 1 +HETATM 6323 O O . HOH Q 12 . ? -35.829 8.124 -14.759 1.00 47.12 ? 720 HOH A O 1 +HETATM 6324 O O . HOH Q 12 . ? -25.519 0.822 -27.765 1.00 29.38 ? 721 HOH A O 1 +HETATM 6325 O O . HOH Q 12 . ? -30.003 5.827 -30.667 1.00 31.31 ? 722 HOH A O 1 +HETATM 6326 O O . HOH Q 12 . ? -16.550 5.782 -16.288 1.00 21.93 ? 723 HOH A O 1 +HETATM 6327 O O . HOH Q 12 . ? -1.954 -0.542 -29.046 1.00 27.84 ? 724 HOH A O 1 +HETATM 6328 O O . HOH Q 12 . ? -19.328 4.495 -11.932 1.00 56.59 ? 725 HOH A O 1 +HETATM 6329 O O . HOH Q 12 . ? 16.408 5.965 -22.586 1.00 30.76 ? 726 HOH A O 1 +HETATM 6330 O O . HOH Q 12 . ? -27.081 0.612 -11.051 1.00 27.59 ? 727 HOH A O 1 +HETATM 6331 O O . HOH Q 12 . ? -13.814 16.643 -2.356 1.00 22.88 ? 728 HOH A O 1 +HETATM 6332 O O . HOH Q 12 . ? -7.258 27.603 -37.934 1.00 30.23 ? 729 HOH A O 1 +HETATM 6333 O O . HOH Q 12 . ? -6.887 22.102 -1.669 1.00 43.84 ? 730 HOH A O 1 +HETATM 6334 O O . HOH Q 12 . ? -29.266 -1.051 -17.918 1.00 28.59 ? 731 HOH A O 1 +HETATM 6335 O O . HOH Q 12 . ? -19.944 21.837 -0.611 1.00 31.92 ? 732 HOH A O 1 +HETATM 6336 O O . HOH Q 12 . ? -12.553 18.551 -42.220 1.00 37.19 ? 733 HOH A O 1 +HETATM 6337 O O . HOH Q 12 . ? -21.840 3.151 -37.694 1.00 31.83 ? 734 HOH A O 1 +HETATM 6338 O O . HOH Q 12 . ? -33.586 26.757 -12.382 1.00 34.68 ? 735 HOH A O 1 +HETATM 6339 O O . HOH Q 12 . ? -6.125 26.117 -35.900 1.00 20.37 ? 736 HOH A O 1 +HETATM 6340 O O . HOH Q 12 . ? 24.541 5.329 -21.294 1.00 38.72 ? 737 HOH A O 1 +HETATM 6341 O O . HOH Q 12 . ? -11.297 39.238 -17.751 1.00 52.71 ? 738 HOH A O 1 +HETATM 6342 O O . HOH Q 12 . ? -17.114 28.140 -30.833 1.00 38.40 ? 739 HOH A O 1 +HETATM 6343 O O . HOH Q 12 . ? -12.111 32.325 -11.202 1.00 53.93 ? 740 HOH A O 1 +HETATM 6344 O O . HOH Q 12 . ? 7.141 1.924 -16.591 1.00 36.16 ? 741 HOH A O 1 +HETATM 6345 O O . HOH Q 12 . ? -4.745 19.673 -41.065 1.00 24.20 ? 742 HOH A O 1 +HETATM 6346 O O . HOH Q 12 . ? -20.896 30.256 -6.034 1.00 29.16 ? 743 HOH A O 1 +HETATM 6347 O O . HOH Q 12 . ? -23.132 3.181 -2.552 1.00 47.02 ? 744 HOH A O 1 +HETATM 6348 O O . HOH Q 12 . ? 1.803 6.783 -26.460 1.00 21.95 ? 745 HOH A O 1 +HETATM 6349 O O . HOH Q 12 . ? -16.562 30.805 -27.879 1.00 39.08 ? 746 HOH A O 1 +HETATM 6350 O O . HOH Q 12 . ? 9.469 3.865 -12.653 1.00 32.45 ? 747 HOH A O 1 +HETATM 6351 O O . HOH Q 12 . ? 3.498 27.591 -25.876 1.00 37.66 ? 748 HOH A O 1 +HETATM 6352 O O . HOH Q 12 . ? -32.191 26.488 -24.797 1.00 32.65 ? 749 HOH A O 1 +HETATM 6353 O O . HOH Q 12 . ? -8.568 33.914 -33.661 1.00 50.92 ? 750 HOH A O 1 +HETATM 6354 O O . HOH Q 12 . ? 3.362 9.156 -34.154 1.00 51.36 ? 751 HOH A O 1 +HETATM 6355 O O . HOH Q 12 . ? 8.232 10.790 -31.156 1.00 34.75 ? 752 HOH A O 1 +HETATM 6356 O O . HOH Q 12 . ? -16.540 14.360 -40.701 1.00 21.37 ? 753 HOH A O 1 +HETATM 6357 O O . HOH Q 12 . ? -14.842 1.053 -37.385 1.00 48.31 ? 754 HOH A O 1 +HETATM 6358 O O . HOH Q 12 . ? 2.395 11.104 3.379 1.00 35.26 ? 755 HOH A O 1 +HETATM 6359 O O . HOH Q 12 . ? -29.836 30.194 -28.736 1.00 50.70 ? 756 HOH A O 1 +HETATM 6360 O O . HOH Q 12 . ? 2.360 17.100 -37.476 1.00 38.40 ? 757 HOH A O 1 +HETATM 6361 O O . HOH Q 12 . ? 16.141 16.724 -26.109 1.00 31.49 ? 758 HOH A O 1 +HETATM 6362 O O . HOH Q 12 . ? -16.429 0.173 -7.169 1.00 55.30 ? 759 HOH A O 1 +HETATM 6363 O O . HOH Q 12 . ? -34.169 5.820 -16.821 1.00 56.98 ? 760 HOH A O 1 +HETATM 6364 O O . HOH Q 12 . ? -16.484 24.722 -35.544 1.00 40.79 ? 761 HOH A O 1 +HETATM 6365 O O . HOH Q 12 . ? 9.732 5.816 -20.112 1.00 42.57 ? 762 HOH A O 1 +HETATM 6366 O O . HOH Q 12 . ? -7.438 10.582 -22.143 1.00 24.60 ? 763 HOH A O 1 +HETATM 6367 O O . HOH Q 12 . ? -19.074 36.279 -13.295 1.00 42.16 ? 764 HOH A O 1 +HETATM 6368 O O . HOH Q 12 . ? 8.917 3.686 -15.427 1.00 30.05 ? 765 HOH A O 1 +HETATM 6369 O O . HOH Q 12 . ? -15.076 -2.736 -27.357 1.00 43.42 ? 766 HOH A O 1 +HETATM 6370 O O . HOH Q 12 . ? 9.471 13.967 -31.689 1.00 27.79 ? 767 HOH A O 1 +HETATM 6371 O O . HOH Q 12 . ? -18.846 26.043 -31.775 1.00 47.28 ? 768 HOH A O 1 +HETATM 6372 O O . HOH Q 12 . ? -23.468 34.307 -11.183 1.00 51.35 ? 769 HOH A O 1 +HETATM 6373 O O . HOH Q 12 . ? -15.363 34.280 -11.231 1.00 59.62 ? 770 HOH A O 1 +HETATM 6374 O O A HOH Q 12 . ? 8.484 25.589 -27.922 0.52 41.93 ? 771 HOH A O 1 +HETATM 6375 O O B HOH Q 12 . ? 8.526 20.471 -29.446 0.48 21.20 ? 771 HOH A O 1 +HETATM 6376 O O . HOH Q 12 . ? -11.408 34.620 -27.299 1.00 64.24 ? 772 HOH A O 1 +HETATM 6377 O O . HOH Q 12 . ? -0.849 9.681 5.724 1.00 56.55 ? 773 HOH A O 1 +HETATM 6378 O O . HOH Q 12 . ? -32.992 9.039 -23.740 1.00 22.71 ? 774 HOH A O 1 +HETATM 6379 O O . HOH Q 12 . ? 21.938 20.103 -14.807 1.00 45.39 ? 775 HOH A O 1 +HETATM 6380 O O . HOH Q 12 . ? -24.989 36.295 -22.935 1.00 43.64 ? 776 HOH A O 1 +HETATM 6381 O O . HOH Q 12 . ? -17.497 31.807 -10.150 1.00 42.58 ? 777 HOH A O 1 +HETATM 6382 O O . HOH Q 12 . ? -6.039 33.991 -21.055 1.00 51.79 ? 778 HOH A O 1 +HETATM 6383 O O . HOH Q 12 . ? -5.722 3.353 -2.720 1.00 31.55 ? 779 HOH A O 1 +HETATM 6384 O O . HOH Q 12 . ? -20.602 3.353 -13.238 1.00 49.37 ? 780 HOH A O 1 +HETATM 6385 O O . HOH Q 12 . ? 30.795 10.225 -34.368 1.00 50.36 ? 781 HOH A O 1 +HETATM 6386 O O . HOH Q 12 . ? -4.095 16.048 6.473 1.00 46.34 ? 782 HOH A O 1 +HETATM 6387 O O . HOH Q 12 . ? -10.643 19.894 -11.024 1.00 29.10 ? 783 HOH A O 1 +HETATM 6388 O O . HOH Q 12 . ? -20.098 17.061 1.818 1.00 45.90 ? 784 HOH A O 1 +HETATM 6389 O O . HOH Q 12 . ? -22.399 26.672 -31.710 1.00 40.21 ? 785 HOH A O 1 +HETATM 6390 O O . HOH Q 12 . ? -12.292 1.451 -38.498 1.00 58.52 ? 786 HOH A O 1 +HETATM 6391 O O . HOH Q 12 . ? -15.241 26.503 -37.757 1.00 67.68 ? 787 HOH A O 1 +HETATM 6392 O O . HOH Q 12 . ? 11.624 22.377 -7.447 1.00 52.63 ? 788 HOH A O 1 +HETATM 6393 O O . HOH Q 12 . ? -14.908 15.483 -0.198 1.00 48.52 ? 789 HOH A O 1 +HETATM 6394 O O . HOH Q 12 . ? 2.648 8.886 1.622 1.00 46.30 ? 790 HOH A O 1 +HETATM 6395 O O . HOH Q 12 . ? -35.723 18.440 -10.041 1.00 49.75 ? 791 HOH A O 1 +HETATM 6396 O O . HOH Q 12 . ? -25.079 11.193 3.911 1.00 53.09 ? 792 HOH A O 1 +HETATM 6397 O O . HOH Q 12 . ? -21.119 20.047 -36.478 1.00 52.60 ? 793 HOH A O 1 +HETATM 6398 O O . HOH Q 12 . ? -21.435 36.339 -17.224 1.00 55.11 ? 794 HOH A O 1 +HETATM 6399 O O . HOH Q 12 . ? -19.866 2.360 -36.360 1.00 53.59 ? 795 HOH A O 1 +HETATM 6400 O O . HOH Q 12 . ? 4.301 1.232 -6.716 1.00 49.92 ? 796 HOH A O 1 +HETATM 6401 O O . HOH Q 12 . ? -8.848 -1.103 -25.169 1.00 27.86 ? 797 HOH A O 1 +HETATM 6402 O O . HOH Q 12 . ? -15.414 4.231 -38.292 1.00 31.00 ? 798 HOH A O 1 +HETATM 6403 O O . HOH Q 12 . ? -31.933 31.636 -25.880 1.00 54.68 ? 799 HOH A O 1 +HETATM 6404 O O . HOH Q 12 . ? -30.505 36.420 -25.280 1.00 51.92 ? 800 HOH A O 1 +HETATM 6405 O O . HOH Q 12 . ? 16.456 16.460 -4.947 1.00 55.81 ? 801 HOH A O 1 +HETATM 6406 O O . HOH Q 12 . ? 14.058 8.305 -6.897 1.00 47.20 ? 802 HOH A O 1 +HETATM 6407 O O . HOH Q 12 . ? -18.658 4.930 -38.731 1.00 53.99 ? 803 HOH A O 1 +HETATM 6408 O O . HOH Q 12 . ? -1.803 22.962 0.366 1.00 39.78 ? 804 HOH A O 1 +HETATM 6409 O O . HOH Q 12 . ? -3.219 9.682 6.721 1.00 43.41 ? 805 HOH A O 1 +HETATM 6410 O O . HOH Q 12 . ? 19.131 17.233 -8.494 1.00 50.21 ? 806 HOH A O 1 +HETATM 6411 O O . HOH Q 12 . ? -34.006 8.014 -21.692 1.00 48.75 ? 807 HOH A O 1 +HETATM 6412 O O . HOH Q 12 . ? -25.537 11.937 -32.440 1.00 31.55 ? 808 HOH A O 1 +HETATM 6413 O O A HOH Q 12 . ? -22.717 0.234 -29.247 0.57 33.94 ? 809 HOH A O 1 +HETATM 6414 O O . HOH Q 12 . ? -16.470 1.316 -1.460 1.00 38.28 ? 810 HOH A O 1 +HETATM 6415 O O . HOH Q 12 . ? 19.952 17.855 -6.850 1.00 52.31 ? 811 HOH A O 1 +HETATM 6416 O O . HOH Q 12 . ? -16.056 38.993 -16.776 1.00 60.38 ? 812 HOH A O 1 +HETATM 6417 O O . HOH Q 12 . ? -26.578 -2.141 -11.565 1.00 49.99 ? 813 HOH A O 1 +HETATM 6418 O O . HOH Q 12 . ? -31.202 10.340 -8.680 1.00 31.49 ? 814 HOH A O 1 +HETATM 6419 O O . HOH Q 12 . ? -16.272 -0.431 -27.783 1.00 37.22 ? 815 HOH A O 1 +HETATM 6420 O O . HOH Q 12 . ? -17.925 2.161 -8.841 1.00 45.77 ? 816 HOH A O 1 +HETATM 6421 O O . HOH Q 12 . ? -25.948 36.669 -20.286 1.00 54.16 ? 817 HOH A O 1 +HETATM 6422 O O . HOH Q 12 . ? 7.411 2.005 -20.182 1.00 62.22 ? 818 HOH A O 1 +HETATM 6423 O O . HOH Q 12 . ? -24.540 13.440 -40.024 1.00 49.41 ? 819 HOH A O 1 +HETATM 6424 O O . HOH Q 12 . ? 19.011 2.307 -19.710 1.00 72.26 ? 820 HOH A O 1 +HETATM 6425 O O . HOH Q 12 . ? -8.438 36.408 -19.361 1.00 44.71 ? 821 HOH A O 1 +HETATM 6426 O O . HOH Q 12 . ? 2.756 9.244 -28.131 1.00 41.72 ? 822 HOH A O 1 +HETATM 6427 O O . HOH Q 12 . ? 7.877 6.549 -21.305 1.00 55.18 ? 823 HOH A O 1 +HETATM 6428 O O . HOH Q 12 . ? -21.812 36.651 -14.681 1.00 54.51 ? 824 HOH A O 1 +HETATM 6429 O O . HOH Q 12 . ? -35.130 20.333 -12.863 1.00 55.14 ? 825 HOH A O 1 +HETATM 6430 O O . HOH Q 12 . ? 7.932 14.244 -1.045 1.00 28.61 ? 826 HOH A O 1 +HETATM 6431 O O . HOH Q 12 . ? -10.330 -1.791 -29.122 1.00 32.90 ? 827 HOH A O 1 +HETATM 6432 O O . HOH Q 12 . ? -24.950 27.485 -31.687 1.00 47.37 ? 828 HOH A O 1 +HETATM 6433 O O . HOH Q 12 . ? -27.741 29.565 -5.431 1.00 36.51 ? 829 HOH A O 1 +HETATM 6434 O O . HOH Q 12 . ? -30.309 -0.897 -20.418 1.00 32.22 ? 830 HOH A O 1 +HETATM 6435 O O . HOH Q 12 . ? 15.366 13.070 -32.134 1.00 68.45 ? 831 HOH A O 1 +HETATM 6436 O O . HOH Q 12 . ? -4.177 30.082 -35.841 1.00 52.90 ? 832 HOH A O 1 +HETATM 6437 O O . HOH Q 12 . ? -0.527 18.623 3.659 1.00 29.16 ? 833 HOH A O 1 +HETATM 6438 O O . HOH Q 12 . ? 15.538 22.388 -28.423 1.00 32.17 ? 834 HOH A O 1 +HETATM 6439 O O . HOH Q 12 . ? -25.057 30.021 -5.334 1.00 47.27 ? 835 HOH A O 1 +HETATM 6440 O O . HOH Q 12 . ? 16.691 16.851 -30.577 1.00 51.64 ? 836 HOH A O 1 +HETATM 6441 O O . HOH Q 12 . ? 2.184 0.953 -6.819 1.00 57.87 ? 837 HOH A O 1 +HETATM 6442 O O . HOH Q 12 . ? -27.675 35.633 -18.166 1.00 51.21 ? 838 HOH A O 1 +HETATM 6443 O O . HOH Q 12 . ? -34.071 22.607 -14.072 1.00 41.83 ? 839 HOH A O 1 +HETATM 6444 O O . HOH Q 12 . ? 17.937 24.750 -24.737 1.00 54.26 ? 840 HOH A O 1 +HETATM 6445 O O . HOH Q 12 . ? -32.856 31.238 -18.108 1.00 58.67 ? 841 HOH A O 1 +HETATM 6446 O O . HOH Q 12 . ? 1.890 28.301 -11.363 1.00 48.85 ? 842 HOH A O 1 +HETATM 6447 O O . HOH Q 12 . ? 1.084 33.123 -17.006 1.00 55.94 ? 843 HOH A O 1 +HETATM 6448 O O . HOH Q 12 . ? -18.263 22.818 1.164 1.00 44.17 ? 844 HOH A O 1 +HETATM 6449 O O . HOH Q 12 . ? 18.347 4.056 -21.334 1.00 50.61 ? 845 HOH A O 1 +HETATM 6450 O O . HOH Q 12 . ? 14.028 20.031 -28.610 1.00 36.93 ? 846 HOH A O 1 +HETATM 6451 O O . HOH Q 12 . ? -4.021 27.530 -34.930 1.00 28.71 ? 847 HOH A O 1 +HETATM 6452 O O . HOH Q 12 . ? 5.258 30.349 -20.742 1.00 53.33 ? 848 HOH A O 1 +HETATM 6453 O O . HOH Q 12 . ? 12.749 14.782 -5.299 1.00 51.05 ? 849 HOH A O 1 +HETATM 6454 O O . HOH Q 12 . ? -32.682 10.538 -6.315 1.00 43.62 ? 850 HOH A O 1 +HETATM 6455 O O . HOH Q 12 . ? -2.997 32.947 -27.010 1.00 49.82 ? 851 HOH A O 1 +HETATM 6456 O O . HOH Q 12 . ? -8.608 36.821 -23.965 1.00 49.52 ? 852 HOH A O 1 +HETATM 6457 O O . HOH Q 12 . ? -31.275 9.384 -12.300 1.00 36.90 ? 853 HOH A O 1 +HETATM 6458 O O . HOH Q 12 . ? -9.224 24.878 -40.140 1.00 49.04 ? 854 HOH A O 1 +HETATM 6459 O O . HOH Q 12 . ? -29.556 0.808 -9.907 1.00 45.18 ? 855 HOH A O 1 +HETATM 6460 O O . HOH Q 12 . ? -2.859 11.429 -40.795 1.00 63.98 ? 856 HOH A O 1 +HETATM 6461 O O . HOH Q 12 . ? 5.396 28.834 -25.135 1.00 50.13 ? 857 HOH A O 1 +HETATM 6462 O O . HOH Q 12 . ? -30.014 32.803 -19.098 1.00 42.39 ? 858 HOH A O 1 +HETATM 6463 O O . HOH Q 12 . ? -14.526 12.801 -41.362 1.00 40.05 ? 859 HOH A O 1 +HETATM 6464 O O . HOH Q 12 . ? 1.665 6.031 -30.943 1.00 28.39 ? 860 HOH A O 1 +HETATM 6465 O O . HOH Q 12 . ? 28.197 3.694 -17.794 1.00 51.65 ? 861 HOH A O 1 +HETATM 6466 O O . HOH Q 12 . ? -0.043 5.768 -33.161 1.00 26.93 ? 862 HOH A O 1 +HETATM 6467 O O . HOH Q 12 . ? -18.829 29.555 2.369 1.00 71.75 ? 863 HOH A O 1 +HETATM 6468 O O . HOH Q 12 . ? -11.318 -3.082 -33.279 1.00 44.13 ? 864 HOH A O 1 +HETATM 6469 O O . HOH Q 12 . ? 26.081 2.239 -15.771 1.00 53.81 ? 865 HOH A O 1 +HETATM 6470 O O . HOH Q 12 . ? 18.362 6.197 -20.090 1.00 51.22 ? 866 HOH A O 1 +HETATM 6471 O O . HOH Q 12 . ? -27.299 7.886 -34.247 1.00 49.84 ? 867 HOH A O 1 +HETATM 6472 O O . HOH Q 12 . ? -30.613 6.014 -6.798 1.00 46.31 ? 868 HOH A O 1 +HETATM 6473 O O . HOH Q 12 . ? -31.168 2.349 -22.542 1.00 46.50 ? 869 HOH A O 1 +HETATM 6474 O O . HOH Q 12 . ? -14.080 4.400 -40.735 1.00 57.20 ? 870 HOH A O 1 +HETATM 6475 O O . HOH Q 12 . ? 15.425 12.844 -28.873 1.00 54.60 ? 871 HOH A O 1 +HETATM 6476 O O . HOH Q 12 . ? -7.058 23.981 -39.157 1.00 24.70 ? 872 HOH A O 1 +HETATM 6477 O O B HOH Q 12 . ? -17.781 28.426 -0.941 0.54 49.47 ? 873 HOH A O 1 +HETATM 6478 O O . HOH Q 12 . ? 11.141 11.962 -30.834 1.00 46.58 ? 874 HOH A O 1 +HETATM 6479 O O . HOH Q 12 . ? -31.399 6.727 -10.907 1.00 37.13 ? 875 HOH A O 1 +HETATM 6480 O O . HOH Q 12 . ? -30.732 -0.502 -15.819 1.00 41.52 ? 876 HOH A O 1 +HETATM 6481 O O . HOH Q 12 . ? -3.534 21.810 2.159 1.00 40.49 ? 877 HOH A O 1 +HETATM 6482 O O . HOH Q 12 . ? -5.223 22.449 -40.989 1.00 33.98 ? 878 HOH A O 1 +HETATM 6483 O O . HOH Q 12 . ? 4.872 8.516 -28.777 1.00 48.26 ? 879 HOH A O 1 +HETATM 6484 O O . HOH Q 12 . ? -22.870 28.752 -2.969 1.00 45.24 ? 880 HOH A O 1 +HETATM 6485 O O . HOH Q 12 . ? -6.573 -0.820 -28.902 1.00 35.96 ? 881 HOH A O 1 +HETATM 6486 O O . HOH Q 12 . ? 23.582 2.792 -20.112 1.00 44.60 ? 882 HOH A O 1 +HETATM 6487 O O . HOH Q 12 . ? -1.666 25.768 0.527 1.00 32.72 ? 883 HOH A O 1 +HETATM 6488 O O . HOH Q 12 . ? -31.082 30.833 -8.497 1.00 42.34 ? 884 HOH A O 1 +HETATM 6489 O O . HOH Q 12 . ? -30.972 8.780 -0.181 1.00 40.67 ? 885 HOH A O 1 +HETATM 6490 O O . HOH Q 12 . ? -34.655 25.537 -24.223 1.00 47.63 ? 886 HOH A O 1 +HETATM 6491 O O . HOH Q 12 . ? -24.579 30.814 -7.997 1.00 35.22 ? 887 HOH A O 1 +HETATM 6492 O O . HOH Q 12 . ? -0.313 2.819 -2.717 1.00 49.36 ? 888 HOH A O 1 +HETATM 6493 O O . HOH Q 12 . ? -36.546 22.245 -20.361 1.00 50.02 ? 889 HOH A O 1 +HETATM 6494 O O . HOH Q 12 . ? -32.600 9.726 -1.926 1.00 51.63 ? 890 HOH A O 1 +HETATM 6495 O O . HOH Q 12 . ? 11.646 12.473 -2.840 1.00 57.13 ? 891 HOH A O 1 +HETATM 6496 O O . HOH Q 12 . ? -21.176 1.393 -2.172 1.00 52.97 ? 892 HOH A O 1 +HETATM 6497 O O . HOH Q 12 . ? -13.414 9.661 3.866 1.00 42.80 ? 893 HOH A O 1 +HETATM 6498 O O . HOH Q 12 . ? 17.617 14.615 -7.543 1.00 54.26 ? 894 HOH A O 1 +HETATM 6499 O O . HOH Q 12 . ? -12.310 9.325 -41.200 1.00 38.70 ? 895 HOH A O 1 +HETATM 6500 O O . HOH Q 12 . ? -20.916 -1.964 -20.156 1.00 45.22 ? 896 HOH A O 1 +HETATM 6501 O O . HOH Q 12 . ? -3.859 26.451 -1.109 1.00 31.48 ? 897 HOH A O 1 +HETATM 6502 O O . HOH Q 12 . ? -20.234 -9.522 -8.763 1.00 55.88 ? 898 HOH A O 1 +HETATM 6503 O O . HOH Q 12 . ? 27.184 4.947 -21.047 1.00 57.56 ? 899 HOH A O 1 +HETATM 6504 O O . HOH Q 12 . ? -24.919 3.378 -0.626 1.00 67.49 ? 900 HOH A O 1 +HETATM 6505 O O . HOH Q 12 . ? -18.554 6.822 1.790 1.00 54.22 ? 901 HOH A O 1 +HETATM 6506 O O . HOH Q 12 . ? 5.632 18.333 -36.858 1.00 32.87 ? 902 HOH A O 1 +HETATM 6507 O O . HOH Q 12 . ? 0.616 26.230 -28.680 1.00 36.78 ? 903 HOH A O 1 +HETATM 6508 O O . HOH Q 12 . ? -24.363 28.417 -1.086 1.00 49.21 ? 904 HOH A O 1 +HETATM 6509 O O . HOH Q 12 . ? -28.739 5.849 -3.053 1.00 53.43 ? 905 HOH A O 1 +HETATM 6510 O O . HOH Q 12 . ? 16.370 18.206 -28.365 1.00 32.48 ? 906 HOH A O 1 +HETATM 6511 O O . HOH Q 12 . ? 3.745 3.978 -27.489 1.00 53.14 ? 907 HOH A O 1 +HETATM 6512 O O . HOH Q 12 . ? 5.597 14.978 -37.098 1.00 44.70 ? 908 HOH A O 1 +HETATM 6513 O O A HOH Q 12 . ? -10.660 18.363 -12.968 0.86 32.08 ? 909 HOH A O 1 +HETATM 6514 O O . HOH Q 12 . ? -4.864 31.064 -1.226 1.00 52.02 ? 910 HOH A O 1 +HETATM 6515 O O . HOH Q 12 . ? -15.942 35.270 -29.896 1.00 52.51 ? 911 HOH A O 1 +HETATM 6516 O O . HOH Q 12 . ? -25.337 8.073 1.700 1.00 55.07 ? 912 HOH A O 1 +HETATM 6517 O O . HOH Q 12 . ? -27.466 -0.463 -26.185 1.00 45.25 ? 913 HOH A O 1 +HETATM 6518 O O . HOH Q 12 . ? -21.658 29.154 -0.629 1.00 78.10 ? 914 HOH A O 1 +HETATM 6519 O O . HOH Q 12 . ? -1.818 27.126 -33.210 1.00 41.78 ? 915 HOH A O 1 +HETATM 6520 O O . HOH Q 12 . ? -12.125 13.194 -42.014 1.00 39.55 ? 916 HOH A O 1 +HETATM 6521 O O . HOH Q 12 . ? -16.856 -3.918 -30.732 1.00 55.34 ? 917 HOH A O 1 +HETATM 6522 O O . HOH Q 12 . ? -11.710 26.012 -44.308 1.00 56.23 ? 918 HOH A O 1 +HETATM 6523 O O . HOH Q 12 . ? -12.523 -3.037 -28.072 1.00 54.13 ? 919 HOH A O 1 +HETATM 6524 O O . HOH Q 12 . ? -4.231 -2.521 -28.883 1.00 56.89 ? 920 HOH A O 1 +HETATM 6525 O O . HOH Q 12 . ? -31.746 4.920 -22.512 1.00 47.80 ? 921 HOH A O 1 +HETATM 6526 O O . HOH Q 12 . ? -30.005 35.872 -20.346 1.00 57.00 ? 922 HOH A O 1 +HETATM 6527 O O . HOH Q 12 . ? -8.355 -3.836 -29.781 1.00 51.58 ? 923 HOH A O 1 +HETATM 6528 O O . HOH Q 12 . ? -0.834 0.489 -6.205 1.00 54.17 ? 924 HOH A O 1 +HETATM 6529 O O . HOH Q 12 . ? -4.398 28.910 -0.263 1.00 43.73 ? 925 HOH A O 1 +HETATM 6530 O O . HOH Q 12 . ? -2.523 29.748 -31.820 1.00 44.40 ? 926 HOH A O 1 +HETATM 6531 O O . HOH Q 12 . ? 12.068 11.646 0.601 1.00 65.71 ? 927 HOH A O 1 +HETATM 6532 O O . HOH Q 12 . ? -11.446 12.037 -44.424 1.00 56.24 ? 928 HOH A O 1 +HETATM 6533 O O . HOH Q 12 . ? 18.981 13.053 -6.917 1.00 54.14 ? 929 HOH A O 1 +HETATM 6534 O O . HOH Q 12 . ? -32.518 8.240 -4.408 1.00 51.72 ? 930 HOH A O 1 +HETATM 6535 O O . HOH Q 12 . ? -30.193 -1.930 -8.743 1.00 61.15 ? 931 HOH A O 1 +HETATM 6536 O O . HOH Q 12 . ? -8.626 25.044 -47.258 1.00 55.02 ? 932 HOH A O 1 +HETATM 6537 O O . HOH Q 12 . ? -5.403 25.976 -42.947 1.00 57.15 ? 933 HOH A O 1 # loop_ _atom_site_anisotrop.id @@ -10291,3496 +10320,3496 @@ _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id -1 N N . MET A 1 ? 0.3477 0.6856 0.5468 0.0022 0.1774 0.1284 -9 MET A N -2 C CA . MET A 1 ? 0.7982 1.1280 0.9860 0.0056 0.1642 0.1267 -9 MET A CA -3 C C . MET A 1 ? 0.7459 1.0886 0.9446 0.0018 0.1496 0.1103 -9 MET A C -4 O O . MET A 1 ? 0.8022 1.1627 1.0054 0.0049 0.1458 0.1023 -9 MET A O -5 C CB . MET A 1 ? 0.3601 0.6952 0.5178 0.0220 0.1586 0.1341 -9 MET A CB -6 C CG . MET A 1 ? 0.3019 0.6312 0.4474 0.0251 0.1469 0.1316 -9 MET A CG -7 S SD . MET A 1 ? 0.3044 0.6044 0.4592 0.0167 0.1515 0.1398 -9 MET A SD -8 C CE . MET A 1 ? 0.3098 0.5962 0.4570 0.0251 0.1709 0.1620 -9 MET A CE -20 N N . TRP A 2 ? 0.4771 0.8096 0.6786 -0.0028 0.1419 0.1070 -8 TRP A N -21 C CA . TRP A 2 ? 0.2954 0.6387 0.5080 -0.0055 0.1288 0.0940 -8 TRP A CA -22 C C . TRP A 2 ? 0.5896 0.9241 0.7841 0.0026 0.1178 0.0946 -8 TRP A C -23 O O . TRP A 2 ? 0.3324 0.6560 0.5086 0.0078 0.1200 0.1029 -8 TRP A O -24 C CB . TRP A 2 ? 0.3375 0.6803 0.5747 -0.0220 0.1314 0.0861 -8 TRP A CB -25 C CG . TRP A 2 ? 0.4386 0.7541 0.6728 -0.0284 0.1377 0.0933 -8 TRP A CG -26 C CD1 . TRP A 2 ? 0.3497 0.6548 0.5781 -0.0280 0.1281 0.0926 -8 TRP A CD1 -27 C CD2 . TRP A 2 ? 0.3019 0.5949 0.5375 -0.0339 0.1563 0.1030 -8 TRP A CD2 -28 N NE1 . TRP A 2 ? 0.3754 0.6531 0.6020 -0.0329 0.1392 0.1009 -8 TRP A NE1 -29 C CE2 . TRP A 2 ? 0.4143 0.6827 0.6443 -0.0354 0.1570 0.1081 -8 TRP A CE2 -30 C CE3 . TRP A 2 ? 0.3537 0.6436 0.5938 -0.0361 0.1733 0.1091 -8 TRP A CE3 -31 C CZ2 . TRP A 2 ? 0.4097 0.6486 0.6381 -0.0372 0.1747 0.1195 -8 TRP A CZ2 -32 C CZ3 . TRP A 2 ? 0.8795 1.1403 1.1179 -0.0382 0.1909 0.1211 -8 TRP A CZ3 -33 C CH2 . TRP A 2 ? 0.6803 0.9150 0.9125 -0.0377 0.1916 0.1266 -8 TRP A CH2 -44 N N . SER A 3 ? 0.1977 0.5392 0.3972 0.0048 0.1067 0.0856 -7 SER A N -45 C CA A SER A 3 ? 0.1879 0.5149 0.3704 0.0117 0.0967 0.0820 -7 SER A CA -46 C CA B SER A 3 ? 0.1879 0.5149 0.3705 0.0117 0.0967 0.0820 -7 SER A CA -47 C C . SER A 3 ? 0.1851 0.4924 0.3649 0.0043 0.0916 0.0836 -7 SER A C -48 O O . SER A 3 ? 0.2937 0.5996 0.4886 -0.0067 0.0962 0.0853 -7 SER A O -49 C CB A SER A 3 ? 0.3135 0.6480 0.5009 0.0195 0.0897 0.0742 -7 SER A CB -50 C CB B SER A 3 ? 0.2862 0.6213 0.4741 0.0194 0.0898 0.0742 -7 SER A CB -51 O OG A SER A 3 ? 0.6409 0.9556 0.8121 0.0260 0.0846 0.0701 -7 SER A OG -52 O OG B SER A 3 ? 0.6106 0.9607 0.8170 0.0136 0.0847 0.0712 -7 SER A OG -61 N N . HIS A 4 ? 0.1822 0.4742 0.3444 0.0093 0.0841 0.0811 -6 HIS A N -62 C CA . HIS A 4 ? 0.1818 0.4552 0.3391 0.0043 0.0789 0.0826 -6 HIS A CA -63 C C . HIS A 4 ? 0.1716 0.4342 0.3199 0.0087 0.0679 0.0743 -6 HIS A C -64 O O . HIS A 4 ? 0.2215 0.4726 0.3535 0.0116 0.0652 0.0726 -6 HIS A O -65 C CB . HIS A 4 ? 0.2585 0.5255 0.4003 0.0073 0.0853 0.0930 -6 HIS A CB -66 C CG . HIS A 4 ? 0.2979 0.5461 0.4374 0.0031 0.0841 0.0982 -6 HIS A CG -67 N ND1 . HIS A 4 ? 0.2838 0.5219 0.4413 -0.0073 0.0913 0.1015 -6 HIS A ND1 -68 C CD2 . HIS A 4 ? 0.3935 0.6329 0.5161 0.0078 0.0791 0.1001 -6 HIS A CD2 -69 C CE1 . HIS A 4 ? 0.2682 0.4879 0.4193 -0.0077 0.0914 0.1065 -6 HIS A CE1 -70 N NE2 . HIS A 4 ? 0.2699 0.4912 0.3994 0.0021 0.0825 0.1065 -6 HIS A NE2 -78 N N . PRO A 5 ? 0.1776 0.4463 0.3368 0.0099 0.0624 0.0693 -5 PRO A N -79 C CA . PRO A 5 ? 0.1805 0.4366 0.3313 0.0167 0.0559 0.0649 -5 PRO A CA -80 C C . PRO A 5 ? 0.1800 0.4207 0.3261 0.0109 0.0483 0.0643 -5 PRO A C -81 O O . PRO A 5 ? 0.2579 0.4995 0.4118 0.0013 0.0475 0.0660 -5 PRO A O -82 C CB . PRO A 5 ? 0.1827 0.4586 0.3471 0.0240 0.0545 0.0645 -5 PRO A CB -83 C CG . PRO A 5 ? 0.1915 0.4910 0.3731 0.0150 0.0555 0.0644 -5 PRO A CG -84 C CD . PRO A 5 ? 0.1847 0.4771 0.3643 0.0067 0.0637 0.0680 -5 PRO A CD -92 N N . GLN A 6 ? 0.1819 0.4058 0.3159 0.0159 0.0453 0.0609 -4 GLN A N -93 C CA . GLN A 6 ? 0.1791 0.3882 0.3074 0.0121 0.0381 0.0600 -4 GLN A CA -94 C C . GLN A 6 ? 0.1892 0.4060 0.3262 0.0152 0.0319 0.0598 -4 GLN A C -95 O O . GLN A 6 ? 0.2221 0.4536 0.3656 0.0248 0.0341 0.0613 -4 GLN A O -96 C CB . GLN A 6 ? 0.2070 0.3988 0.3211 0.0158 0.0396 0.0544 -4 GLN A CB -97 C CG . GLN A 6 ? 0.3761 0.5715 0.4793 0.0132 0.0438 0.0515 -4 GLN A CG -102 N N . PHE A 7 ? 0.1918 0.4019 0.3279 0.0090 0.0252 0.0584 -3 PHE A N -103 C CA . PHE A 7 ? 0.1797 0.4036 0.3222 0.0120 0.0184 0.0567 -3 PHE A CA -104 C C . PHE A 7 ? 0.2275 0.4371 0.3590 0.0246 0.0185 0.0597 -3 PHE A C -105 O O . PHE A 7 ? 0.2570 0.4408 0.3770 0.0247 0.0220 0.0586 -3 PHE A O -106 C CB . PHE A 7 ? 0.1625 0.3822 0.3084 -0.0009 0.0133 0.0519 -3 PHE A CB -107 C CG . PHE A 7 ? 0.1519 0.3845 0.3144 -0.0144 0.0183 0.0476 -3 PHE A CG -108 C CD1 . PHE A 7 ? 0.1354 0.4024 0.3161 -0.0180 0.0185 0.0405 -3 PHE A CD1 -109 C CD2 . PHE A 7 ? 0.4851 0.6962 0.6460 -0.0230 0.0257 0.0510 -3 PHE A CD2 -110 C CE1 . PHE A 7 ? 0.1406 0.4190 0.3404 -0.0331 0.0264 0.0330 -3 PHE A CE1 -111 C CE2 . PHE A 7 ? 0.3829 0.6001 0.5618 -0.0354 0.0361 0.0482 -3 PHE A CE2 -112 C CZ . PHE A 7 ? 0.3153 0.5643 0.5148 -0.0424 0.0370 0.0375 -3 PHE A CZ -122 N N . GLU A 8 ? 0.2019 0.4321 0.3381 0.0359 0.0162 0.0633 -2 GLU A N -123 C CA . GLU A 8 ? 0.2597 0.4754 0.3869 0.0504 0.0199 0.0698 -2 GLU A CA -124 C C . GLU A 8 ? 0.2294 0.4211 0.3468 0.0429 0.0150 0.0663 -2 GLU A C -125 O O . GLU A 8 ? 0.2114 0.4103 0.3307 0.0317 0.0055 0.0609 -2 GLU A O -126 C CB . GLU A 8 ? 0.2457 0.4989 0.3794 0.0669 0.0179 0.0774 -2 GLU A CB -127 C CG . GLU A 8 ? 0.7632 1.0036 0.8896 0.0896 0.0290 0.0910 -2 GLU A CG -128 C CD . GLU A 8 ? 1.2493 1.4797 1.3669 0.0909 0.0245 0.0927 -2 GLU A CD -129 O OE1 . GLU A 8 ? 0.5062 0.7621 0.6262 0.0818 0.0105 0.0855 -2 GLU A OE1 -130 O OE2 . GLU A 8 ? 0.3644 0.5610 0.4744 0.1003 0.0371 0.0998 -2 GLU A OE2 -137 N N . LYS A 9 ? 0.2707 0.4339 0.3793 0.0499 0.0239 0.0687 -1 LYS A N -138 C CA . LYS A 9 ? 0.2791 0.4181 0.3785 0.0421 0.0213 0.0639 -1 LYS A CA -139 C C . LYS A 9 ? 0.2181 0.3661 0.3155 0.0452 0.0127 0.0673 -1 LYS A C -140 O O . LYS A 9 ? 0.2485 0.3910 0.3425 0.0337 0.0042 0.0614 -1 LYS A O -141 C CB . LYS A 9 ? 0.3010 0.4102 0.3959 0.0466 0.0369 0.0618 -1 LYS A CB -142 C CG . LYS A 9 ? 0.4487 0.5528 0.5450 0.0401 0.0449 0.0528 -1 LYS A CG -147 N N . ALA A 10 ? 0.2638 0.4287 0.3627 0.0628 0.0160 0.0776 0 ALA A N -148 C CA . ALA A 10 ? 0.3249 0.5040 0.4203 0.0672 0.0081 0.0802 0 ALA A CA -149 C C . ALA A 10 ? 0.2142 0.4241 0.3170 0.0529 -0.0068 0.0691 0 ALA A C -150 O O . ALA A 10 ? 0.2355 0.4424 0.3353 0.0440 -0.0142 0.0626 0 ALA A O -151 C CB . ALA A 10 ? 0.4092 0.6116 0.5042 0.0933 0.0155 0.0964 0 ALA A CB -157 N N . SER A 11 ? 0.2599 0.4978 0.3741 0.0494 -0.0087 0.0651 1 SER A N -158 C CA . SER A 11 ? 0.2114 0.4782 0.3374 0.0334 -0.0180 0.0510 1 SER A CA -159 C C . SER A 11 ? 0.1831 0.4165 0.3090 0.0132 -0.0179 0.0429 1 SER A C -160 O O . SER A 11 ? 0.1926 0.4282 0.3222 0.0015 -0.0224 0.0331 1 SER A O -161 C CB . SER A 11 ? 0.2681 0.5740 0.4095 0.0324 -0.0175 0.0467 1 SER A CB -162 O OG . SER A 11 ? 0.2204 0.5516 0.3764 0.0135 -0.0227 0.0288 1 SER A OG -168 N N . THR A 12 ? 0.2020 0.4057 0.3226 0.0114 -0.0115 0.0476 2 THR A N -169 C CA . THR A 12 ? 0.1868 0.3622 0.3034 -0.0012 -0.0100 0.0450 2 THR A CA -170 C C . THR A 12 ? 0.2211 0.3775 0.3274 -0.0018 -0.0140 0.0443 2 THR A C -171 O O . THR A 12 ? 0.2194 0.3682 0.3279 -0.0121 -0.0155 0.0395 2 THR A O -172 C CB . THR A 12 ? 0.2078 0.3649 0.3170 0.0013 -0.0032 0.0500 2 THR A CB -173 O OG1 . THR A 12 ? 0.2599 0.4332 0.3789 0.0003 0.0011 0.0506 2 THR A OG1 -174 C CG2 . THR A 12 ? 0.2680 0.4052 0.3702 -0.0063 -0.0020 0.0501 2 THR A CG2 -182 N N . GLY A 13 ? 0.2015 0.3497 0.2981 0.0096 -0.0135 0.0492 3 GLY A N -183 C CA . GLY A 13 ? 0.2247 0.3577 0.3125 0.0094 -0.0168 0.0484 3 GLY A CA -184 C C . GLY A 13 ? 0.2074 0.3604 0.3002 0.0059 -0.0243 0.0428 3 GLY A C -185 O O . GLY A 13 ? 0.2359 0.3770 0.3262 -0.0018 -0.0274 0.0380 3 GLY A O -189 N N . ARG A 14 ? 0.2052 0.3941 0.3062 0.0118 -0.0269 0.0416 4 ARG A N -190 C CA . ARG A 14 ? 0.2444 0.4631 0.3519 0.0070 -0.0339 0.0312 4 ARG A CA -191 C C . ARG A 14 ? 0.2222 0.4375 0.3431 -0.0142 -0.0327 0.0167 4 ARG A C -192 O O . ARG A 14 ? 0.3016 0.5192 0.4263 -0.0237 -0.0348 0.0056 4 ARG A O -193 C CB . ARG A 14 ? 0.2992 0.5709 0.4136 0.0191 -0.0369 0.0313 4 ARG A CB -194 C CG . ARG A 14 ? 0.2828 0.5600 0.3839 0.0448 -0.0343 0.0492 4 ARG A CG -195 C CD . ARG A 14 ? 0.2481 0.5698 0.3456 0.0581 -0.0345 0.0491 4 ARG A CD -196 N NE . ARG A 14 ? 0.2716 0.6140 0.3786 0.0573 -0.0325 0.0466 4 ARG A NE -197 C CZ . ARG A 14 ? 0.5846 0.9223 0.6885 0.0740 -0.0239 0.0625 4 ARG A CZ -198 N NH1 . ARG A 14 ? 0.3355 0.6453 0.4281 0.0925 -0.0136 0.0816 4 ARG A NH1 -199 N NH2 . ARG A 14 ? 0.3057 0.6647 0.4187 0.0718 -0.0230 0.0584 4 ARG A NH2 -213 N N . GLU A 15 ? 0.2119 0.4214 0.3413 -0.0209 -0.0266 0.0168 5 GLU A N -214 C CA . GLU A 15 ? 0.2693 0.4680 0.4128 -0.0392 -0.0192 0.0068 5 GLU A CA -215 C C . GLU A 15 ? 0.2089 0.3659 0.3424 -0.0419 -0.0152 0.0130 5 GLU A C -216 O O . GLU A 15 ? 0.2570 0.4037 0.3997 -0.0536 -0.0091 0.0045 5 GLU A O -217 C CB . GLU A 15 ? 0.2167 0.4194 0.3713 -0.0436 -0.0112 0.0085 5 GLU A CB -218 C CG . GLU A 15 ? 0.3191 0.5740 0.4921 -0.0472 -0.0134 -0.0052 5 GLU A CG -219 C CD . GLU A 15 ? 0.9203 1.1842 1.1094 -0.0552 -0.0040 -0.0076 5 GLU A CD -220 O OE1 . GLU A 15 ? 0.6484 0.8827 0.8288 -0.0505 0.0016 0.0068 5 GLU A OE1 -221 O OE2 . GLU A 15 ? 0.2235 0.5287 0.4345 -0.0664 -0.0017 -0.0252 5 GLU A OE2 -228 N N . ILE A 16 ? 0.2102 0.3459 0.3266 -0.0311 -0.0169 0.0260 6 ILE A N -229 C CA . ILE A 16 ? 0.2103 0.3172 0.3161 -0.0311 -0.0150 0.0313 6 ILE A CA -230 C C . ILE A 16 ? 0.2296 0.3347 0.3326 -0.0328 -0.0204 0.0247 6 ILE A C -231 O O . ILE A 16 ? 0.2579 0.3472 0.3635 -0.0390 -0.0158 0.0225 6 ILE A O -232 C CB . ILE A 16 ? 0.2272 0.3229 0.3176 -0.0212 -0.0158 0.0407 6 ILE A CB -233 C CG1 . ILE A 16 ? 0.2526 0.3508 0.3448 -0.0201 -0.0092 0.0464 6 ILE A CG1 -234 C CG2 . ILE A 16 ? 0.2368 0.3144 0.3160 -0.0197 -0.0160 0.0439 6 ILE A CG2 -235 C CD1 . ILE A 16 ? 0.2846 0.3735 0.3814 -0.0243 0.0004 0.0523 6 ILE A CD1 -247 N N . LEU A 17 ? 0.2231 0.3452 0.3211 -0.0255 -0.0283 0.0229 7 LEU A N -248 C CA . LEU A 17 ? 0.2369 0.3630 0.3316 -0.0258 -0.0335 0.0168 7 LEU A CA -249 C C . LEU A 17 ? 0.2261 0.3667 0.3370 -0.0399 -0.0312 0.0005 7 LEU A C -250 O O . LEU A 17 ? 0.2777 0.4054 0.3884 -0.0455 -0.0299 -0.0053 7 LEU A O -251 C CB . LEU A 17 ? 0.2437 0.3914 0.3309 -0.0121 -0.0393 0.0210 7 LEU A CB -252 C CG . LEU A 17 ? 0.2339 0.3592 0.3077 -0.0004 -0.0362 0.0340 7 LEU A CG -253 C CD1 . LEU A 17 ? 0.2784 0.4223 0.3486 0.0165 -0.0347 0.0429 7 LEU A CD1 -254 C CD2 . LEU A 17 ? 0.3015 0.4020 0.3651 -0.0015 -0.0366 0.0347 7 LEU A CD2 -266 N N . GLU A 18 ? 0.2301 0.3980 0.3573 -0.0471 -0.0286 -0.0093 8 GLU A N -267 C CA . GLU A 18 ? 0.2752 0.4599 0.4228 -0.0645 -0.0227 -0.0308 8 GLU A CA -268 C C . GLU A 18 ? 0.2317 0.3752 0.3874 -0.0759 -0.0075 -0.0307 8 GLU A C -269 O O . GLU A 18 ? 0.2902 0.4278 0.4565 -0.0876 -0.0003 -0.0452 8 GLU A O -270 C CB . GLU A 18 ? 0.2724 0.4983 0.4378 -0.0708 -0.0214 -0.0427 8 GLU A CB -271 C CG . GLU A 18 ? 0.4286 0.6649 0.6211 -0.0941 -0.0085 -0.0680 8 GLU A CG -272 C CD . GLU A 18 ? 0.9174 1.1965 1.1131 -0.0939 -0.0115 -0.0830 8 GLU A CD -273 O OE1 . GLU A 18 ? 0.7669 1.0617 0.9668 -0.0901 -0.0118 -0.0775 8 GLU A OE1 -274 O OE2 . GLU A 18 ? 1.1076 1.4075 1.3011 -0.0971 -0.0128 -0.1009 8 GLU A OE2 -281 N N . LYS A 19 ? 0.2774 0.3942 0.4283 -0.0709 -0.0006 -0.0137 9 LYS A N -282 C CA . LYS A 19 ? 0.2712 0.3510 0.4272 -0.0753 0.0163 -0.0069 9 LYS A CA -283 C C . LYS A 19 ? 0.2276 0.2840 0.3693 -0.0683 0.0141 0.0003 9 LYS A C -284 O O . LYS A 19 ? 0.2696 0.3042 0.4203 -0.0745 0.0278 -0.0030 9 LYS A O -285 C CB . LYS A 19 ? 0.2674 0.3346 0.4190 -0.0678 0.0233 0.0115 9 LYS A CB -286 C CG . LYS A 19 ? 0.3003 0.3853 0.4712 -0.0777 0.0314 0.0035 9 LYS A CG -287 C CD . LYS A 19 ? 0.3615 0.4317 0.5300 -0.0711 0.0424 0.0216 9 LYS A CD -288 C CE . LYS A 19 ? 0.4932 0.5799 0.6838 -0.0829 0.0529 0.0124 9 LYS A CE -297 N N . LEU A 20 ? 0.2292 0.2903 0.3505 -0.0561 -0.0012 0.0082 10 LEU A N -298 C CA . LEU A 20 ? 0.2431 0.2868 0.3517 -0.0501 -0.0040 0.0132 10 LEU A CA -299 C C . LEU A 20 ? 0.2423 0.2929 0.3591 -0.0592 -0.0049 -0.0041 10 LEU A C -300 O O . LEU A 20 ? 0.3092 0.3391 0.4270 -0.0609 0.0027 -0.0046 10 LEU A O -301 C CB . LEU A 20 ? 0.2220 0.2704 0.3110 -0.0379 -0.0169 0.0222 10 LEU A CB -302 C CG . LEU A 20 ? 0.2370 0.2805 0.3175 -0.0300 -0.0148 0.0354 10 LEU A CG -303 C CD1 . LEU A 20 ? 0.2351 0.2844 0.3020 -0.0224 -0.0239 0.0371 10 LEU A CD1 -304 C CD2 . LEU A 20 ? 0.2897 0.3174 0.3665 -0.0255 -0.0058 0.0462 10 LEU A CD2 -316 N N . GLU A 21 ? 0.2693 0.3537 0.3926 -0.0642 -0.0129 -0.0189 11 GLU A N -317 C CA . GLU A 21 ? 0.3151 0.4183 0.4457 -0.0725 -0.0150 -0.0386 11 GLU A CA -318 C C . GLU A 21 ? 0.3455 0.4389 0.5003 -0.0911 0.0032 -0.0569 11 GLU A C -319 O O . GLU A 21 ? 0.3669 0.4555 0.5272 -0.0984 0.0080 -0.0705 11 GLU A O -320 C CB . GLU A 21 ? 0.3968 0.5496 0.5275 -0.0695 -0.0274 -0.0480 11 GLU A CB -321 C CG . GLU A 21 ? 0.4959 0.6735 0.6198 -0.0664 -0.0363 -0.0578 11 GLU A CG -322 C CD . GLU A 21 ? 1.3168 1.5522 1.4453 -0.0648 -0.0432 -0.0717 11 GLU A CD -323 O OE1 . GLU A 21 ? 0.8447 1.0957 0.9743 -0.0703 -0.0404 -0.0897 11 GLU A OE1 -324 O OE2 . GLU A 21 ? 1.4379 1.6932 1.5620 -0.0535 -0.0480 -0.0609 11 GLU A OE2 -331 N N . ARG A 22 ? 0.3340 0.4214 0.5047 -0.0990 0.0162 -0.0576 12 ARG A N -332 C CA . ARG A 22 ? 0.3697 0.4374 0.5666 -0.1167 0.0409 -0.0720 12 ARG A CA -333 C C . ARG A 22 ? 0.3328 0.3479 0.5255 -0.1088 0.0587 -0.0502 12 ARG A C -334 O O . ARG A 22 ? 0.3792 0.3679 0.5854 -0.1148 0.0824 -0.0542 12 ARG A O -335 C CB . ARG A 22 ? 0.3330 0.4160 0.5430 -0.1240 0.0482 -0.0788 12 ARG A CB -336 C CG . ARG A 22 ? 0.7164 0.8495 0.9287 -0.1294 0.0373 -0.1032 12 ARG A CG -337 C CD . ARG A 22 ? 0.5416 0.6885 0.7677 -0.1370 0.0463 -0.1114 12 ARG A CD -338 N NE . ARG A 22 ? 0.4849 0.6219 0.7102 -0.1304 0.0454 -0.0886 12 ARG A NE -339 C CZ . ARG A 22 ? 1.0182 1.1657 1.2535 -0.1342 0.0514 -0.0896 12 ARG A CZ -340 N NH1 . ARG A 22 ? 1.1366 1.3046 1.3843 -0.1455 0.0588 -0.1134 12 ARG A NH1 -341 N NH2 . ARG A 22 ? 0.6644 0.8040 0.8979 -0.1270 0.0512 -0.0683 12 ARG A NH2 -355 N N . ARG A 23 ? 0.3078 0.3104 0.4749 -0.0894 0.0470 -0.0256 13 ARG A N -356 C CA . ARG A 23 ? 0.3405 0.3059 0.5004 -0.0773 0.0609 -0.0036 13 ARG A CA -357 C C . ARG A 23 ? 0.3199 0.2653 0.4895 -0.0744 0.0824 0.0123 13 ARG A C -358 O O . ARG A 23 ? 0.4126 0.3257 0.5899 -0.0699 0.1069 0.0242 13 ARG A O -359 C CB . ARG A 23 ? 0.3392 0.2845 0.5069 -0.0823 0.0727 -0.0134 13 ARG A CB -360 C CG . ARG A 23 ? 0.3572 0.3266 0.5122 -0.0827 0.0499 -0.0267 13 ARG A CG -361 C CD . ARG A 23 ? 0.4204 0.3706 0.5769 -0.0834 0.0581 -0.0324 13 ARG A CD -362 N NE . ARG A 23 ? 0.3801 0.3036 0.5221 -0.0648 0.0635 -0.0056 13 ARG A NE -363 C CZ . ARG A 23 ? 0.3394 0.2728 0.4577 -0.0499 0.0448 0.0088 13 ARG A CZ -364 N NH1 . ARG A 23 ? 0.2789 0.2397 0.3853 -0.0504 0.0223 0.0022 13 ARG A NH1 -365 N NH2 . ARG A 23 ? 0.3166 0.2335 0.4252 -0.0337 0.0522 0.0303 13 ARG A NH2 -379 N N . GLU A 24 ? 0.3320 0.2971 0.5011 -0.0750 0.0752 0.0143 14 GLU A N -380 C CA . GLU A 24 ? 0.3407 0.2926 0.5160 -0.0704 0.0934 0.0312 14 GLU A CA -381 C C . GLU A 24 ? 0.4346 0.3926 0.5832 -0.0484 0.0813 0.0570 14 GLU A C -382 O O . GLU A 24 ? 0.4178 0.3986 0.5568 -0.0453 0.0661 0.0582 14 GLU A O -383 C CB . GLU A 24 ? 0.4169 0.3914 0.6093 -0.0854 0.0930 0.0150 14 GLU A CB -384 C CG . GLU A 24 ? 0.6318 0.6135 0.8467 -0.1063 0.1013 -0.0166 14 GLU A CG -385 C CD . GLU A 24 ? 0.8765 0.8879 1.1044 -0.1180 0.0993 -0.0331 14 GLU A CD -386 O OE1 . GLU A 24 ? 0.6648 0.7012 0.9020 -0.1308 0.0951 -0.0610 14 GLU A OE1 -387 O OE2 . GLU A 24 ? 0.7056 0.7183 0.9331 -0.1129 0.1020 -0.0178 14 GLU A OE2 -394 N N . PHE A 25 ? 0.3527 0.2933 0.4904 -0.0327 0.0901 0.0763 15 PHE A N -395 C CA . PHE A 25 ? 0.3742 0.3314 0.4863 -0.0132 0.0758 0.0940 15 PHE A CA -396 C C . PHE A 25 ? 0.5332 0.4945 0.6399 0.0023 0.0890 0.1180 15 PHE A C -397 O O . PHE A 25 ? 0.4498 0.4133 0.5443 0.0222 0.0968 0.1397 15 PHE A O -398 C CB . PHE A 25 ? 0.4004 0.3487 0.5028 -0.0030 0.0757 0.1004 15 PHE A CB -399 C CG . PHE A 25 ? 0.3357 0.2839 0.4398 -0.0154 0.0617 0.0789 15 PHE A CG -400 C CD1 . PHE A 25 ? 0.2985 0.2688 0.3958 -0.0227 0.0390 0.0640 15 PHE A CD1 -401 C CD2 . PHE A 25 ? 0.3270 0.2528 0.4396 -0.0177 0.0741 0.0753 15 PHE A CD2 -402 C CE1 . PHE A 25 ? 0.2871 0.2606 0.3842 -0.0306 0.0276 0.0475 15 PHE A CE1 -403 C CE2 . PHE A 25 ? 0.3508 0.2809 0.4634 -0.0278 0.0611 0.0558 15 PHE A CE2 -404 C CZ . PHE A 25 ? 0.3179 0.2731 0.4221 -0.0335 0.0377 0.0430 15 PHE A CZ -414 N N . THR A 26 ? 0.3570 0.3255 0.4720 -0.0052 0.0910 0.1145 16 THR A N -415 C CA . THR A 26 ? 0.3816 0.3574 0.4906 0.0101 0.1035 0.1373 16 THR A CA -416 C C . THR A 26 ? 0.3952 0.4066 0.4795 0.0238 0.0829 0.1426 16 THR A C -417 O O . THR A 26 ? 0.3274 0.3539 0.4036 0.0171 0.0606 0.1258 16 THR A O -418 C CB . THR A 26 ? 0.4030 0.3787 0.5286 -0.0027 0.1115 0.1305 16 THR A CB -419 O OG1 . THR A 26 ? 0.3569 0.3578 0.4773 -0.0118 0.0864 0.1125 16 THR A OG1 -420 C CG2 . THR A 26 ? 0.3782 0.3261 0.5316 -0.0216 0.1306 0.1145 16 THR A CG2 -428 N N . ARG A 27 ? 0.3665 0.3934 0.4400 0.0436 0.0933 0.1656 17 ARG A N -429 C CA A ARG A 27 ? 0.3096 0.3783 0.3622 0.0551 0.0768 0.1667 17 ARG A CA -430 C CA B ARG A 27 ? 0.3331 0.4017 0.3856 0.0550 0.0766 0.1665 17 ARG A CA -431 C C . ARG A 27 ? 0.3066 0.3889 0.3600 0.0406 0.0602 0.1463 17 ARG A C -432 O O . ARG A 27 ? 0.2885 0.3919 0.3314 0.0383 0.0423 0.1319 17 ARG A O -433 C CB A ARG A 27 ? 0.3838 0.4737 0.4293 0.0777 0.0903 0.1871 17 ARG A CB -434 C CB B ARG A 27 ? 0.3111 0.4018 0.3561 0.0779 0.0897 0.1869 17 ARG A CB -435 C CG A ARG A 27 ? 0.3912 0.5326 0.4182 0.0887 0.0759 0.1849 17 ARG A CG -436 C CG B ARG A 27 ? 0.3730 0.5158 0.3994 0.0895 0.0755 0.1849 17 ARG A CG -437 C CD A ARG A 27 ? 0.3211 0.4909 0.3461 0.1124 0.0875 0.1999 17 ARG A CD -438 C CD B ARG A 27 ? 0.3138 0.4812 0.3396 0.1128 0.0888 0.2008 17 ARG A CD -439 N NE A ARG A 27 ? 0.4380 0.6643 0.4485 0.1218 0.0732 0.1915 17 ARG A NE -440 N NE B ARG A 27 ? 0.4522 0.6006 0.4864 0.1272 0.1061 0.2147 17 ARG A NE -441 C CZ A ARG A 27 ? 0.2629 0.5109 0.2682 0.1290 0.0677 0.1872 17 ARG A CZ -442 C CZ B ARG A 27 ? 0.4074 0.5786 0.4357 0.1414 0.1045 0.2175 17 ARG A CZ -443 N NH1 A ARG A 27 ? 0.5610 0.7777 0.5716 0.1306 0.0748 0.1934 17 ARG A NH1 -444 N NH1 B ARG A 27 ? 0.2870 0.5019 0.3020 0.1413 0.0859 0.2046 17 ARG A NH1 -445 N NH2 A ARG A 27 ? 0.5456 0.8494 0.5421 0.1338 0.0565 0.1742 17 ARG A NH2 -446 N NH2 B ARG A 27 ? 0.5910 0.7424 0.6284 0.1550 0.1237 0.2313 17 ARG A NH2 -473 N N . GLU A 28 ? 0.2779 0.3478 0.3460 0.0306 0.0682 0.1441 18 GLU A N -474 C CA . GLU A 28 ? 0.2493 0.3326 0.3188 0.0198 0.0547 0.1274 18 GLU A CA -475 C C . GLU A 28 ? 0.2632 0.3405 0.3352 0.0069 0.0377 0.1062 18 GLU A C -476 O O . GLU A 28 ? 0.2417 0.3336 0.3077 0.0046 0.0251 0.0946 18 GLU A O -477 C CB . GLU A 28 ? 0.3431 0.4164 0.4304 0.0117 0.0683 0.1295 18 GLU A CB -478 C CG . GLU A 28 ? 0.4882 0.5628 0.5876 -0.0041 0.0585 0.1101 18 GLU A CG -479 C CD . GLU A 28 ? 1.1002 1.1714 1.2182 -0.0116 0.0735 0.1118 18 GLU A CD -480 O OE1 . GLU A 28 ? 0.5716 0.6545 0.6845 -0.0029 0.0810 0.1242 18 GLU A OE1 -481 O OE2 . GLU A 28 ? 0.4195 0.4798 0.5578 -0.0268 0.0790 0.0995 18 GLU A OE2 -488 N N . VAL A 29 ? 0.2490 0.3051 0.3308 -0.0009 0.0399 0.1012 19 VAL A N -489 C CA . VAL A 29 ? 0.2184 0.2729 0.3014 -0.0104 0.0250 0.0837 19 VAL A CA -490 C C . VAL A 29 ? 0.2232 0.2864 0.2892 -0.0032 0.0135 0.0820 19 VAL A C -491 O O . VAL A 29 ? 0.2194 0.2894 0.2813 -0.0063 0.0023 0.0707 19 VAL A O -492 C CB . VAL A 29 ? 0.2771 0.3125 0.3748 -0.0206 0.0314 0.0766 19 VAL A CB -493 C CG1 . VAL A 29 ? 0.2999 0.3379 0.3941 -0.0255 0.0163 0.0624 19 VAL A CG1 -494 C CG2 . VAL A 29 ? 0.3165 0.3515 0.4357 -0.0335 0.0411 0.0685 19 VAL A CG2 -504 N N . LEU A 30 ? 0.2198 0.2834 0.2772 0.0070 0.0184 0.0931 20 LEU A N -505 C CA . LEU A 30 ? 0.1935 0.2714 0.2370 0.0122 0.0082 0.0885 20 LEU A CA -506 C C . LEU A 30 ? 0.2184 0.3232 0.2534 0.0145 0.0028 0.0821 20 LEU A C -507 O O . LEU A 30 ? 0.2123 0.3232 0.2436 0.0097 -0.0055 0.0677 20 LEU A O -508 C CB . LEU A 30 ? 0.2293 0.3106 0.2659 0.0252 0.0152 0.1028 20 LEU A CB -509 C CG . LEU A 30 ? 0.2485 0.2989 0.2951 0.0219 0.0235 0.1063 20 LEU A CG -510 C CD1 . LEU A 30 ? 0.2860 0.3389 0.3263 0.0393 0.0351 0.1256 20 LEU A CD1 -511 C CD2 . LEU A 30 ? 0.2459 0.2860 0.2944 0.0107 0.0116 0.0895 20 LEU A CD2 -523 N N . LYS A 31 ? 0.2029 0.3237 0.2363 0.0213 0.0099 0.0914 21 LYS A N -524 C CA . LYS A 31 ? 0.2294 0.3792 0.2559 0.0224 0.0063 0.0821 21 LYS A CA -525 C C . LYS A 31 ? 0.2055 0.3429 0.2393 0.0104 0.0012 0.0662 21 LYS A C -526 O O . LYS A 31 ? 0.2176 0.3666 0.2483 0.0068 -0.0020 0.0509 21 LYS A O -527 C CB . LYS A 31 ? 0.2461 0.4151 0.2699 0.0324 0.0158 0.0963 21 LYS A CB -528 C CG . LYS A 31 ? 0.2354 0.4404 0.2523 0.0330 0.0127 0.0833 21 LYS A CG -529 C CD . LYS A 31 ? 0.2979 0.5305 0.3088 0.0461 0.0218 0.0988 21 LYS A CD -530 C CE . LYS A 31 ? 0.4109 0.6874 0.4143 0.0462 0.0186 0.0815 21 LYS A CE -531 N NZ . LYS A 31 ? 0.7502 1.0639 0.7447 0.0623 0.0270 0.0977 21 LYS A NZ -545 N N . GLU A 32 ? 0.2304 0.3481 0.2753 0.0051 0.0030 0.0693 22 GLU A N -546 C CA . GLU A 32 ? 0.2202 0.3319 0.2711 -0.0013 -0.0005 0.0583 22 GLU A CA -547 C C . GLU A 32 ? 0.2481 0.3479 0.2978 -0.0046 -0.0064 0.0488 22 GLU A C -548 O O . GLU A 32 ? 0.2357 0.3351 0.2853 -0.0057 -0.0056 0.0394 22 GLU A O -549 C CB . GLU A 32 ? 0.2662 0.3703 0.3301 -0.0052 0.0024 0.0627 22 GLU A CB -550 C CG . GLU A 32 ? 0.4715 0.5780 0.5415 -0.0069 0.0002 0.0553 22 GLU A CG -551 C CD . GLU A 32 ? 0.6384 0.7571 0.7051 -0.0036 0.0044 0.0522 22 GLU A CD -552 O OE1 . GLU A 32 ? 0.4922 0.6240 0.5526 -0.0006 0.0082 0.0553 22 GLU A OE1 -553 O OE2 . GLU A 32 ? 0.6400 0.7577 0.7106 -0.0023 0.0055 0.0469 22 GLU A OE2 -560 N N . ALA A 33 ? 0.2278 0.3165 0.2772 -0.0056 -0.0096 0.0516 23 ALA A N -561 C CA . ALA A 33 ? 0.2197 0.2988 0.2666 -0.0076 -0.0143 0.0439 23 ALA A CA -562 C C . ALA A 33 ? 0.2147 0.3029 0.2546 -0.0075 -0.0129 0.0343 23 ALA A C -563 O O . ALA A 33 ? 0.2242 0.3040 0.2655 -0.0098 -0.0106 0.0257 23 ALA A O -564 C CB . ALA A 33 ? 0.2184 0.2872 0.2653 -0.0086 -0.0172 0.0476 23 ALA A CB -570 N N . LEU A 34 ? 0.2015 0.3101 0.2350 -0.0044 -0.0120 0.0349 24 LEU A N -571 C CA . LEU A 34 ? 0.1993 0.3272 0.2285 -0.0068 -0.0103 0.0201 24 LEU A CA -572 C C . LEU A 34 ? 0.2393 0.3752 0.2726 -0.0109 -0.0035 0.0076 24 LEU A C -573 O O . LEU A 34 ? 0.3266 0.4676 0.3625 -0.0176 0.0022 -0.0107 24 LEU A O -574 C CB . LEU A 34 ? 0.1949 0.3551 0.2157 0.0005 -0.0116 0.0242 24 LEU A CB -575 C CG . LEU A 34 ? 0.1962 0.3497 0.2134 0.0051 -0.0154 0.0335 24 LEU A CG -576 C CD1 . LEU A 34 ? 0.1953 0.3836 0.2038 0.0185 -0.0139 0.0448 24 LEU A CD1 -577 C CD2 . LEU A 34 ? 0.2013 0.3515 0.2192 -0.0021 -0.0179 0.0185 24 LEU A CD2 -589 N N . SER A 35 ? 0.2138 0.3488 0.2498 -0.0080 -0.0016 0.0154 25 SER A N -590 C CA . SER A 35 ? 0.2461 0.3917 0.2855 -0.0106 0.0059 0.0039 25 SER A CA -591 C C . SER A 35 ? 0.2763 0.3947 0.3247 -0.0130 0.0129 0.0000 25 SER A C -592 O O . SER A 35 ? 0.2942 0.4141 0.3476 -0.0169 0.0238 -0.0147 25 SER A O -593 C CB . SER A 35 ? 0.2414 0.4014 0.2793 -0.0047 0.0059 0.0160 25 SER A CB -594 O OG . SER A 35 ? 0.2719 0.4618 0.3004 0.0018 0.0038 0.0220 25 SER A OG -600 N N . ILE A 36 ? 0.2456 0.3427 0.2969 -0.0096 0.0088 0.0125 26 ILE A N -601 C CA . ILE A 36 ? 0.2370 0.3151 0.2953 -0.0061 0.0160 0.0143 26 ILE A CA -602 C C . ILE A 36 ? 0.2569 0.3194 0.3175 -0.0092 0.0273 0.0025 26 ILE A C -603 O O . ILE A 36 ? 0.2992 0.3576 0.3563 -0.0125 0.0239 -0.0005 26 ILE A O -604 C CB . ILE A 36 ? 0.2452 0.3171 0.3050 -0.0010 0.0077 0.0282 26 ILE A CB -605 C CG1 . ILE A 36 ? 0.2461 0.3315 0.3093 -0.0007 0.0023 0.0359 26 ILE A CG1 -606 C CG2 . ILE A 36 ? 0.2907 0.3496 0.3549 0.0074 0.0153 0.0328 26 ILE A CG2 -607 C CD1 . ILE A 36 ? 0.3454 0.4330 0.4130 -0.0006 -0.0055 0.0429 26 ILE A CD1 -619 N N A ASN A 37 ? 0.2091 0.2593 0.2773 -0.0078 0.0438 -0.0039 27 ASN A N -620 N N B ASN A 37 ? 0.2826 0.3350 0.3505 -0.0086 0.0434 -0.0050 27 ASN A N -621 C CA A ASN A 37 ? 0.3311 0.3615 0.4057 -0.0125 0.0618 -0.0174 27 ASN A CA -622 C CA B ASN A 37 ? 0.1956 0.2263 0.2703 -0.0119 0.0619 -0.0166 27 ASN A CA -623 C C A ASN A 37 ? 0.2364 0.2372 0.3157 -0.0004 0.0750 -0.0031 27 ASN A C -624 C C B ASN A 37 ? 0.2412 0.2474 0.3210 0.0022 0.0736 -0.0001 27 ASN A C -625 O O A ASN A 37 ? 0.3743 0.3515 0.4626 -0.0012 0.0982 -0.0107 27 ASN A O -626 O O B ASN A 37 ? 0.2683 0.2615 0.3565 0.0067 0.0923 -0.0019 27 ASN A O -627 C CB A ASN A 37 ? 0.3290 0.3659 0.4117 -0.0222 0.0782 -0.0406 27 ASN A CB -628 C CB B ASN A 37 ? 0.3307 0.3696 0.4130 -0.0229 0.0775 -0.0416 27 ASN A CB -629 C CG A ASN A 37 ? 0.3772 0.4501 0.4549 -0.0340 0.0690 -0.0592 27 ASN A CG -630 C CG B ASN A 37 ? 0.4487 0.4705 0.5410 -0.0336 0.0979 -0.0623 27 ASN A CG -631 O OD1 A ASN A 37 ? 0.8025 0.8862 0.8737 -0.0365 0.0576 -0.0589 27 ASN A OD1 -632 O OD1 B ASN A 37 ? 0.3593 0.3598 0.4519 -0.0311 0.1013 -0.0551 27 ASN A OD1 -633 N ND2 A ASN A 37 ? 0.4262 0.5223 0.5066 -0.0392 0.0745 -0.0749 27 ASN A ND2 -634 N ND2 B ASN A 37 ? 0.3716 0.4056 0.4732 -0.0467 0.1130 -0.0904 27 ASN A ND2 -647 N N . ASP A 38 ? 0.3527 0.3575 0.4270 0.0113 0.0625 0.0171 28 ASP A N -648 C CA . ASP A 38 ? 0.2894 0.2812 0.3660 0.0287 0.0726 0.0354 28 ASP A CA -649 C C . ASP A 38 ? 0.2495 0.2304 0.3217 0.0314 0.0720 0.0409 28 ASP A C -650 O O . ASP A 38 ? 0.2966 0.2915 0.3615 0.0262 0.0526 0.0410 28 ASP A O -651 C CB . ASP A 38 ? 0.2857 0.3025 0.3605 0.0384 0.0577 0.0495 28 ASP A CB -652 C CG . ASP A 38 ? 0.2868 0.3054 0.3635 0.0604 0.0667 0.0694 28 ASP A CG -653 O OD1 . ASP A 38 ? 0.3165 0.3370 0.3881 0.0682 0.0634 0.0789 28 ASP A OD1 -654 O OD2 . ASP A 38 ? 0.3204 0.3438 0.4027 0.0715 0.0763 0.0766 28 ASP A OD2 -660 N N . ARG A 39 ? 0.3105 0.2643 0.3879 0.0392 0.0960 0.0453 29 ARG A N -661 C CA . ARG A 39 ? 0.3710 0.3114 0.4449 0.0432 0.1005 0.0518 29 ARG A CA -662 C C . ARG A 39 ? 0.2691 0.2335 0.3326 0.0559 0.0802 0.0696 29 ARG A C -663 O O . ARG A 39 ? 0.2697 0.2377 0.3270 0.0515 0.0694 0.0683 29 ARG A O -664 C CB . ARG A 39 ? 0.4007 0.3067 0.4837 0.0565 0.1357 0.0614 29 ARG A CB -665 C CG . ARG A 39 ? 1.0027 0.8800 1.0921 0.0457 0.1553 0.0494 29 ARG A CG -666 C CD . ARG A 39 ? 1.1645 1.0031 1.2717 0.0437 0.1964 0.0405 29 ARG A CD -667 N NE . ARG A 39 ? 0.6177 0.4471 0.7265 0.0658 0.2152 0.0643 29 ARG A NE -668 C CZ . ARG A 39 ? 0.7461 0.5660 0.8641 0.0617 0.2314 0.0569 29 ARG A CZ -669 N NH1 . ARG A 39 ? 0.7007 0.5179 0.8159 0.0802 0.2454 0.0814 29 ARG A NH1 -670 N NH2 . ARG A 39 ? 0.6641 0.4818 0.7932 0.0385 0.2340 0.0241 29 ARG A NH2 -684 N N . GLY A 40 ? 0.2902 0.2765 0.3531 0.0710 0.0751 0.0840 30 GLY A N -685 C CA . GLY A 40 ? 0.2706 0.2891 0.3262 0.0815 0.0572 0.0957 30 GLY A CA -686 C C . GLY A 40 ? 0.2385 0.2795 0.2916 0.0645 0.0313 0.0827 30 GLY A C -687 O O . GLY A 40 ? 0.2548 0.3100 0.3026 0.0635 0.0189 0.0827 30 GLY A O -691 N N . PHE A 41 ? 0.2163 0.2580 0.2735 0.0506 0.0255 0.0709 31 PHE A N -692 C CA . PHE A 41 ? 0.1980 0.2519 0.2538 0.0356 0.0076 0.0609 31 PHE A CA -693 C C . PHE A 41 ? 0.2296 0.2675 0.2800 0.0262 0.0054 0.0535 31 PHE A C -694 O O . PHE A 41 ? 0.2074 0.2537 0.2547 0.0215 -0.0066 0.0514 31 PHE A O -695 C CB . PHE A 41 ? 0.2119 0.2677 0.2718 0.0256 0.0061 0.0531 31 PHE A CB -696 C CG . PHE A 41 ? 0.2028 0.2643 0.2611 0.0128 -0.0060 0.0462 31 PHE A CG -697 C CD1 . PHE A 41 ? 0.2138 0.2938 0.2769 0.0099 -0.0156 0.0471 31 PHE A CD1 -698 C CD2 . PHE A 41 ? 0.2175 0.2688 0.2712 0.0044 -0.0058 0.0387 31 PHE A CD2 -699 C CE1 . PHE A 41 ? 0.2322 0.3108 0.2956 -0.0001 -0.0210 0.0430 31 PHE A CE1 -700 C CE2 . PHE A 41 ? 0.2167 0.2735 0.2685 -0.0025 -0.0139 0.0371 31 PHE A CE2 -701 C CZ . PHE A 41 ? 0.2363 0.3020 0.2931 -0.0043 -0.0199 0.0405 31 PHE A CZ -711 N N . ASN A 42 ? 0.2352 0.2516 0.2861 0.0219 0.0183 0.0467 32 ASN A N -712 C CA . ASN A 42 ? 0.2023 0.2097 0.2495 0.0122 0.0163 0.0375 32 ASN A CA -713 C C . ASN A 42 ? 0.2098 0.2137 0.2523 0.0193 0.0148 0.0456 32 ASN A C -714 O O . ASN A 42 ? 0.2144 0.2220 0.2525 0.0132 0.0042 0.0416 32 ASN A O -715 C CB . ASN A 42 ? 0.2197 0.2109 0.2721 0.0050 0.0336 0.0247 32 ASN A CB -716 C CG . ASN A 42 ? 0.2236 0.2266 0.2792 -0.0040 0.0334 0.0122 32 ASN A CG -717 O OD1 . ASN A 42 ? 0.2153 0.2358 0.2676 -0.0050 0.0200 0.0149 32 ASN A OD1 -718 N ND2 . ASN A 42 ? 0.2338 0.2275 0.2968 -0.0105 0.0509 -0.0023 32 ASN A ND2 -725 N N . GLU A 43 ? 0.2145 0.2129 0.2576 0.0342 0.0269 0.0583 33 GLU A N -726 C CA . GLU A 43 ? 0.2038 0.2043 0.2409 0.0442 0.0266 0.0683 33 GLU A CA -727 C C . GLU A 43 ? 0.2343 0.2649 0.2671 0.0440 0.0056 0.0685 33 GLU A C -728 O O . GLU A 43 ? 0.2198 0.2532 0.2476 0.0416 -0.0013 0.0663 33 GLU A O -729 C CB . GLU A 43 ? 0.2898 0.2821 0.3279 0.0649 0.0469 0.0861 33 GLU A CB -730 C CG . GLU A 43 ? 0.6938 0.6980 0.7241 0.0817 0.0478 0.1015 33 GLU A CG -731 C CD . GLU A 43 ? 0.9084 0.8955 0.9401 0.1047 0.0761 0.1227 33 GLU A CD -732 O OE1 . GLU A 43 ? 0.6436 0.5983 0.6845 0.1022 0.0984 0.1205 33 GLU A OE1 -733 O OE2 . GLU A 43 ? 1.1579 1.1677 1.1813 0.1206 0.0774 0.1356 33 GLU A OE2 -740 N N . ALA A 44 ? 0.2138 0.2674 0.2504 0.0448 -0.0030 0.0685 34 ALA A N -741 C CA . ALA A 44 ? 0.2159 0.2982 0.2533 0.0398 -0.0193 0.0625 34 ALA A CA -742 C C . ALA A 44 ? 0.1940 0.2647 0.2320 0.0224 -0.0275 0.0500 34 ALA A C -743 O O . ALA A 44 ? 0.2085 0.2891 0.2457 0.0179 -0.0354 0.0443 34 ALA A O -744 C CB . ALA A 44 ? 0.2168 0.3257 0.2620 0.0417 -0.0231 0.0624 34 ALA A CB -750 N N . LEU A 45 ? 0.1829 0.2355 0.2223 0.0139 -0.0243 0.0459 35 LEU A N -751 C CA . LEU A 45 ? 0.1841 0.2285 0.2226 0.0027 -0.0293 0.0387 35 LEU A CA -752 C C . LEU A 45 ? 0.1846 0.2184 0.2168 0.0024 -0.0293 0.0370 35 LEU A C -753 O O . LEU A 45 ? 0.1886 0.2233 0.2199 -0.0024 -0.0353 0.0334 35 LEU A O -754 C CB . LEU A 45 ? 0.1823 0.2198 0.2216 -0.0019 -0.0248 0.0360 35 LEU A CB -755 C CG . LEU A 45 ? 0.1882 0.2241 0.2249 -0.0081 -0.0278 0.0325 35 LEU A CG -756 C CD1 . LEU A 45 ? 0.2471 0.2877 0.2886 -0.0112 -0.0318 0.0348 35 LEU A CD1 -757 C CD2 . LEU A 45 ? 0.2277 0.2681 0.2632 -0.0101 -0.0229 0.0284 35 LEU A CD2 -769 N N . PHE A 46 ? 0.1815 0.2032 0.2110 0.0070 -0.0197 0.0392 36 PHE A N -770 C CA . PHE A 46 ? 0.1785 0.1905 0.2034 0.0064 -0.0176 0.0375 36 PHE A CA -771 C C . PHE A 46 ? 0.2008 0.2241 0.2217 0.0127 -0.0241 0.0420 36 PHE A C -772 O O . PHE A 46 ? 0.2108 0.2323 0.2285 0.0086 -0.0289 0.0378 36 PHE A O -773 C CB . PHE A 46 ? 0.1925 0.1871 0.2190 0.0095 -0.0007 0.0385 36 PHE A CB -774 C CG . PHE A 46 ? 0.1762 0.1644 0.2088 0.0009 0.0081 0.0280 36 PHE A CG -775 C CD1 . PHE A 46 ? 0.1860 0.1867 0.2184 -0.0086 -0.0008 0.0182 36 PHE A CD1 -776 C CD2 . PHE A 46 ? 0.2012 0.1742 0.2398 0.0037 0.0267 0.0280 36 PHE A CD2 -777 C CE1 . PHE A 46 ? 0.1831 0.1880 0.2203 -0.0155 0.0066 0.0068 36 PHE A CE1 -778 C CE2 . PHE A 46 ? 0.2256 0.1970 0.2716 -0.0061 0.0360 0.0137 36 PHE A CE2 -779 C CZ . PHE A 46 ? 0.1905 0.1820 0.2351 -0.0161 0.0242 0.0020 36 PHE A CZ -789 N N . LYS A 47 ? 0.1923 0.2324 0.2135 0.0232 -0.0240 0.0496 37 LYS A N -790 C CA . LYS A 47 ? 0.1980 0.2610 0.2153 0.0297 -0.0307 0.0510 37 LYS A CA -791 C C . LYS A 47 ? 0.2248 0.3016 0.2469 0.0175 -0.0426 0.0379 37 LYS A C -792 O O . LYS A 47 ? 0.2014 0.2871 0.2208 0.0159 -0.0472 0.0323 37 LYS A O -793 C CB . LYS A 47 ? 0.2427 0.3314 0.2593 0.0465 -0.0272 0.0625 37 LYS A CB -794 C CG . LYS A 47 ? 0.2905 0.3634 0.3022 0.0631 -0.0101 0.0792 37 LYS A CG -795 C CD . LYS A 47 ? 0.6136 0.7166 0.6243 0.0845 -0.0053 0.0945 37 LYS A CD -796 C CE . LYS A 47 ? 0.8720 0.9550 0.8789 0.1037 0.0178 0.1143 37 LYS A CE -797 N NZ . LYS A 47 ? 0.9056 1.0097 0.9128 0.1186 0.0269 0.1238 37 LYS A NZ -811 N N . LEU A 48 ? 0.1993 0.2759 0.2295 0.0085 -0.0448 0.0323 38 LEU A N -812 C CA . LEU A 48 ? 0.1982 0.2783 0.2360 -0.0039 -0.0493 0.0205 38 LEU A CA -813 C C . LEU A 48 ? 0.1930 0.2503 0.2272 -0.0091 -0.0485 0.0184 38 LEU A C -814 O O . LEU A 48 ? 0.1898 0.2498 0.2265 -0.0143 -0.0501 0.0100 38 LEU A O -815 C CB . LEU A 48 ? 0.2125 0.2923 0.2600 -0.0105 -0.0474 0.0187 38 LEU A CB -816 C CG . LEU A 48 ? 0.2060 0.2813 0.2645 -0.0232 -0.0452 0.0085 38 LEU A CG -817 C CD1 . LEU A 48 ? 0.2031 0.3022 0.2697 -0.0296 -0.0474 -0.0068 38 LEU A CD1 -818 C CD2 . LEU A 48 ? 0.2185 0.2936 0.2865 -0.0276 -0.0405 0.0099 38 LEU A CD2 -830 N N . ALA A 49 ? 0.1860 0.2247 0.2156 -0.0081 -0.0449 0.0242 39 ALA A N -831 C CA . ALA A 49 ? 0.1764 0.2016 0.2023 -0.0106 -0.0442 0.0231 39 ALA A CA -832 C C . ALA A 49 ? 0.1875 0.2129 0.2073 -0.0076 -0.0458 0.0216 39 ALA A C -833 O O . ALA A 49 ? 0.1825 0.2039 0.2023 -0.0105 -0.0470 0.0174 39 ALA A O -834 C CB . ALA A 49 ? 0.1841 0.2024 0.2069 -0.0100 -0.0405 0.0259 39 ALA A CB -840 N N . ASP A 50 ? 0.1791 0.2083 0.1944 -0.0004 -0.0433 0.0265 40 ASP A N -841 C CA . ASP A 50 ? 0.1854 0.2168 0.1943 0.0046 -0.0430 0.0275 40 ASP A CA -842 C C . ASP A 50 ? 0.1874 0.2390 0.1974 0.0037 -0.0496 0.0204 40 ASP A C -843 O O . ASP A 50 ? 0.1953 0.2456 0.2019 0.0025 -0.0510 0.0161 40 ASP A O -844 C CB . ASP A 50 ? 0.1899 0.2202 0.1948 0.0156 -0.0342 0.0379 40 ASP A CB -845 C CG . ASP A 50 ? 0.2093 0.2408 0.2071 0.0231 -0.0305 0.0426 40 ASP A CG -846 O OD1 . ASP A 50 ? 0.2268 0.2417 0.2233 0.0185 -0.0262 0.0399 40 ASP A OD1 -847 O OD2 . ASP A 50 ? 0.2260 0.2796 0.2192 0.0348 -0.0312 0.0491 40 ASP A OD2 -852 N N . GLU A 51 ? 0.1805 0.2532 0.1966 0.0027 -0.0529 0.0161 41 GLU A N -853 C CA . GLU A 51 ? 0.1882 0.2872 0.2090 -0.0017 -0.0577 0.0028 41 GLU A CA -854 C C . GLU A 51 ? 0.1841 0.2650 0.2121 -0.0145 -0.0560 -0.0088 41 GLU A C -855 O O . GLU A 51 ? 0.2058 0.2942 0.2344 -0.0178 -0.0567 -0.0193 41 GLU A O -856 C CB . GLU A 51 ? 0.2381 0.3662 0.2680 -0.0032 -0.0600 -0.0029 41 GLU A CB -857 C CG . GLU A 51 ? 0.3053 0.4699 0.3432 -0.0101 -0.0637 -0.0221 41 GLU A CG -858 C CD . GLU A 51 ? 0.7748 0.9747 0.8240 -0.0127 -0.0654 -0.0301 41 GLU A CD -859 O OE1 . GLU A 51 ? 0.7171 0.9057 0.7807 -0.0271 -0.0612 -0.0402 41 GLU A OE1 -860 O OE2 . GLU A 51 ? 0.4028 0.6343 0.4448 0.0014 -0.0670 -0.0233 41 GLU A OE2 -867 N N . ILE A 52 ? 0.1726 0.2311 0.2068 -0.0202 -0.0517 -0.0062 42 ILE A N -868 C CA . ILE A 52 ? 0.1773 0.2167 0.2191 -0.0281 -0.0454 -0.0122 42 ILE A CA -869 C C . ILE A 52 ? 0.1835 0.2087 0.2162 -0.0235 -0.0454 -0.0079 42 ILE A C -870 O O . ILE A 52 ? 0.1936 0.2117 0.2305 -0.0275 -0.0411 -0.0159 42 ILE A O -871 C CB . ILE A 52 ? 0.1796 0.2019 0.2275 -0.0299 -0.0389 -0.0045 42 ILE A CB -872 C CG1 . ILE A 52 ? 0.2316 0.2691 0.2915 -0.0368 -0.0374 -0.0122 42 ILE A CG1 -873 C CG2 . ILE A 52 ? 0.1982 0.1977 0.2513 -0.0314 -0.0286 -0.0027 42 ILE A CG2 -874 C CD1 . ILE A 52 ? 0.4567 0.4806 0.5225 -0.0378 -0.0302 -0.0037 42 ILE A CD1 -886 N N . ARG A 53 ? 0.1789 0.1994 0.2012 -0.0161 -0.0479 0.0030 43 ARG A N -887 C CA . ARG A 53 ? 0.1743 0.1866 0.1892 -0.0126 -0.0477 0.0054 43 ARG A CA -888 C C . ARG A 53 ? 0.1832 0.2068 0.1948 -0.0120 -0.0502 -0.0020 43 ARG A C -889 O O . ARG A 53 ? 0.1988 0.2155 0.2109 -0.0135 -0.0482 -0.0068 43 ARG A O -890 C CB . ARG A 53 ? 0.1845 0.1942 0.1928 -0.0082 -0.0471 0.0132 43 ARG A CB -891 C CG . ARG A 53 ? 0.1876 0.1923 0.1909 -0.0065 -0.0452 0.0139 43 ARG A CG -892 C CD . ARG A 53 ? 0.1887 0.1965 0.1862 -0.0031 -0.0449 0.0133 43 ARG A CD -893 N NE . ARG A 53 ? 0.1999 0.2109 0.1947 0.0019 -0.0413 0.0193 43 ARG A NE -894 C CZ . ARG A 53 ? 0.1901 0.2083 0.1791 0.0094 -0.0388 0.0238 43 ARG A CZ -895 N NH1 . ARG A 53 ? 0.2143 0.2391 0.1993 0.0102 -0.0419 0.0196 43 ARG A NH1 -896 N NH2 . ARG A 53 ? 0.2056 0.2255 0.1925 0.0179 -0.0318 0.0334 43 ARG A NH2 -910 N N . ARG A 54 ? 0.1769 0.2208 0.1850 -0.0076 -0.0534 -0.0018 44 ARG A N -911 C CA . ARG A 54 ? 0.1892 0.2536 0.1927 -0.0046 -0.0560 -0.0083 44 ARG A CA -912 C C . ARG A 54 ? 0.2081 0.2791 0.2215 -0.0151 -0.0553 -0.0267 44 ARG A C -913 O O . ARG A 54 ? 0.2344 0.3089 0.2453 -0.0158 -0.0549 -0.0344 44 ARG A O -914 C CB . ARG A 54 ? 0.2001 0.2950 0.1994 0.0046 -0.0586 -0.0039 44 ARG A CB -915 C CG . ARG A 54 ? 0.1919 0.2782 0.1820 0.0175 -0.0533 0.0149 44 ARG A CG -916 C CD . ARG A 54 ? 0.2207 0.3351 0.2083 0.0299 -0.0529 0.0234 44 ARG A CD -917 N NE . ARG A 54 ? 0.2546 0.3539 0.2362 0.0430 -0.0421 0.0426 44 ARG A NE -918 C CZ . ARG A 54 ? 0.3156 0.4165 0.2882 0.0569 -0.0335 0.0556 44 ARG A CZ -919 N NH1 . ARG A 54 ? 0.2727 0.3968 0.2383 0.0613 -0.0377 0.0521 44 ARG A NH1 -920 N NH2 . ARG A 54 ? 0.3220 0.4022 0.2933 0.0675 -0.0180 0.0726 44 ARG A NH2 -934 N N . LYS A 55 ? 0.1895 0.2633 0.2156 -0.0242 -0.0530 -0.0360 45 LYS A N -935 C CA . LYS A 55 ? 0.2084 0.2887 0.2486 -0.0368 -0.0474 -0.0577 45 LYS A CA -936 C C . LYS A 55 ? 0.1870 0.2318 0.2325 -0.0407 -0.0372 -0.0581 45 LYS A C -937 O O . LYS A 55 ? 0.2298 0.2759 0.2831 -0.0481 -0.0308 -0.0750 45 LYS A O -938 C CB . LYS A 55 ? 0.2272 0.3216 0.2818 -0.0460 -0.0449 -0.0678 45 LYS A CB -939 C CG . LYS A 55 ? 0.2198 0.3609 0.2693 -0.0396 -0.0549 -0.0693 45 LYS A CG -940 C CD . LYS A 55 ? 0.2921 0.4559 0.3589 -0.0509 -0.0523 -0.0845 45 LYS A CD -941 C CE . LYS A 55 ? 0.2356 0.4471 0.2946 -0.0391 -0.0594 -0.0814 45 LYS A CE -942 N NZ . LYS A 55 ? 0.2766 0.5069 0.3493 -0.0481 -0.0544 -0.0949 45 LYS A NZ -956 N N . TYR A 56 ? 0.1918 0.2078 0.2347 -0.0352 -0.0336 -0.0406 46 TYR A N -957 C CA . TYR A 56 ? 0.2223 0.2093 0.2721 -0.0354 -0.0209 -0.0379 46 TYR A CA -958 C C . TYR A 56 ? 0.2192 0.1956 0.2572 -0.0246 -0.0228 -0.0249 46 TYR A C -959 O O . TYR A 56 ? 0.2580 0.2164 0.3010 -0.0223 -0.0119 -0.0238 46 TYR A O -960 C CB . TYR A 56 ? 0.2177 0.1868 0.2773 -0.0362 -0.0106 -0.0292 46 TYR A CB -961 C CG . TYR A 56 ? 0.2272 0.2052 0.3042 -0.0507 -0.0038 -0.0483 46 TYR A CG -962 C CD1 . TYR A 56 ? 0.2336 0.2035 0.3279 -0.0626 0.0114 -0.0684 46 TYR A CD1 -963 C CD2 . TYR A 56 ? 0.2397 0.2400 0.3169 -0.0536 -0.0125 -0.0497 46 TYR A CD2 -964 C CE1 . TYR A 56 ? 0.2857 0.2711 0.3994 -0.0795 0.0188 -0.0923 46 TYR A CE1 -965 C CE2 . TYR A 56 ? 0.2508 0.2696 0.3457 -0.0682 -0.0072 -0.0712 46 TYR A CE2 -966 C CZ . TYR A 56 ? 0.2503 0.2631 0.3636 -0.0820 0.0081 -0.0935 46 TYR A CZ -967 O OH . TYR A 56 ? 0.2803 0.3176 0.4139 -0.0992 0.0145 -0.1196 46 TYR A OH -977 N N . VAL A 57 ? 0.2036 0.2624 0.2024 -0.0309 -0.0503 -0.0349 47 VAL A N -978 C CA . VAL A 57 ? 0.2021 0.2478 0.1923 -0.0244 -0.0463 -0.0335 47 VAL A CA -979 C C . VAL A 57 ? 0.2031 0.2575 0.1856 -0.0169 -0.0473 -0.0316 47 VAL A C -980 O O . VAL A 57 ? 0.2126 0.2584 0.1880 -0.0119 -0.0439 -0.0304 47 VAL A O -981 C CB . VAL A 57 ? 0.2004 0.2370 0.1946 -0.0217 -0.0403 -0.0271 47 VAL A CB -982 C CG1 . VAL A 57 ? 0.1943 0.2205 0.1939 -0.0290 -0.0391 -0.0289 47 VAL A CG1 -983 C CG2 . VAL A 57 ? 0.1864 0.2343 0.1864 -0.0172 -0.0388 -0.0197 47 VAL A CG2 -993 N N . GLY A 58 ? 0.2077 0.2792 0.1917 -0.0158 -0.0514 -0.0306 48 GLY A N -994 C CA . GLY A 58 ? 0.2263 0.3055 0.2013 -0.0092 -0.0528 -0.0291 48 GLY A CA -995 C C . GLY A 58 ? 0.2099 0.2883 0.1840 -0.0011 -0.0483 -0.0198 48 GLY A C -996 O O . GLY A 58 ? 0.2188 0.2937 0.2003 -0.0002 -0.0448 -0.0144 48 GLY A O -1000 N N . ASP A 59 ? 0.2141 0.2949 0.1784 0.0046 -0.0480 -0.0177 49 ASP A N -1001 C CA A ASP A 59 ? 0.2029 0.2840 0.1654 0.0119 -0.0446 -0.0083 49 ASP A CA -1002 C CA B ASP A 59 ? 0.2638 0.3447 0.2267 0.0118 -0.0445 -0.0083 49 ASP A CA -1003 C C . ASP A 59 ? 0.2213 0.2879 0.1794 0.0137 -0.0387 -0.0059 49 ASP A C -1004 O O . ASP A 59 ? 0.2564 0.3205 0.2138 0.0183 -0.0353 0.0017 49 ASP A O -1005 C CB A ASP A 59 ? 0.2575 0.3521 0.2122 0.0173 -0.0478 -0.0052 49 ASP A CB -1006 C CB B ASP A 59 ? 0.4951 0.5904 0.4520 0.0173 -0.0479 -0.0045 49 ASP A CB -1007 C CG A ASP A 59 ? 0.2904 0.3973 0.2515 0.0217 -0.0499 0.0017 49 ASP A CG -1008 C CG B ASP A 59 ? 0.4013 0.4962 0.3458 0.0194 -0.0478 -0.0065 49 ASP A CG -1009 O OD1 A ASP A 59 ? 0.2496 0.3612 0.2217 0.0191 -0.0511 0.0012 49 ASP A OD1 -1010 O OD1 B ASP A 59 ? 0.4528 0.5416 0.3936 0.0154 -0.0480 -0.0145 49 ASP A OD1 -1011 O OD2 A ASP A 59 ? 0.3763 0.4892 0.3313 0.0283 -0.0502 0.0081 49 ASP A OD2 -1012 O OD2 B ASP A 59 ? 0.3618 0.4619 0.3000 0.0255 -0.0471 0.0005 49 ASP A OD2 -1019 N N . GLU A 60 ? 0.2054 0.2623 0.1609 0.0102 -0.0373 -0.0122 50 GLU A N -1020 C CA . GLU A 60 ? 0.2244 0.2701 0.1769 0.0121 -0.0319 -0.0100 50 GLU A CA -1021 C C . GLU A 60 ? 0.2224 0.2596 0.1834 0.0110 -0.0284 -0.0058 50 GLU A C -1022 O O . GLU A 60 ? 0.2106 0.2452 0.1787 0.0068 -0.0293 -0.0084 50 GLU A O -1023 C CB . GLU A 60 ? 0.2383 0.2765 0.1860 0.0098 -0.0317 -0.0182 50 GLU A CB -1024 C CG . GLU A 60 ? 0.2819 0.3277 0.2190 0.0122 -0.0341 -0.0224 50 GLU A CG -1025 C CD . GLU A 60 ? 0.4966 0.5355 0.4276 0.0111 -0.0344 -0.0317 50 GLU A CD -1026 O OE1 . GLU A 60 ? 0.3528 0.3805 0.2853 0.0108 -0.0309 -0.0332 50 GLU A OE1 -1027 O OE2 . GLU A 60 ? 0.6060 0.6514 0.5297 0.0111 -0.0383 -0.0379 50 GLU A OE2 -1034 N N . VAL A 61 ? 0.2058 0.2386 0.1656 0.0142 -0.0242 0.0007 51 VAL A N -1035 C CA . VAL A 61 ? 0.2005 0.2243 0.1667 0.0132 -0.0205 0.0038 51 VAL A CA -1036 C C . VAL A 61 ? 0.2039 0.2196 0.1671 0.0124 -0.0171 0.0021 51 VAL A C -1037 O O . VAL A 61 ? 0.2226 0.2393 0.1802 0.0148 -0.0149 0.0047 51 VAL A O -1038 C CB . VAL A 61 ? 0.1969 0.2206 0.1641 0.0168 -0.0186 0.0117 51 VAL A CB -1039 C CG1 . VAL A 61 ? 0.1997 0.2135 0.1721 0.0156 -0.0149 0.0138 51 VAL A CG1 -1040 C CG2 . VAL A 61 ? 0.2075 0.2404 0.1782 0.0188 -0.0220 0.0134 51 VAL A CG2 -1050 N N . HIS A 62 ? 0.2007 0.2096 0.1676 0.0093 -0.0167 -0.0022 52 HIS A N -1051 C CA . HIS A 62 ? 0.2011 0.2036 0.1658 0.0093 -0.0140 -0.0044 52 HIS A CA -1052 C C . HIS A 62 ? 0.1897 0.1879 0.1572 0.0098 -0.0100 0.0008 52 HIS A C -1053 O O . HIS A 62 ? 0.2094 0.2045 0.1823 0.0085 -0.0095 0.0033 52 HIS A O -1054 C CB . HIS A 62 ? 0.1970 0.1930 0.1637 0.0064 -0.0153 -0.0104 52 HIS A CB -1055 C CG . HIS A 62 ? 0.2151 0.2142 0.1784 0.0051 -0.0193 -0.0164 52 HIS A CG -1056 N ND1 . HIS A 62 ? 0.2371 0.2386 0.1925 0.0076 -0.0199 -0.0204 52 HIS A ND1 -1057 C CD2 . HIS A 62 ? 0.2471 0.2489 0.2136 0.0014 -0.0231 -0.0191 52 HIS A CD2 -1058 C CE1 . HIS A 62 ? 0.2468 0.2510 0.1999 0.0054 -0.0242 -0.0260 52 HIS A CE1 -1059 N NE2 . HIS A 62 ? 0.2425 0.2474 0.2028 0.0012 -0.0263 -0.0252 52 HIS A NE2 -1067 N N . ILE A 63 ? 0.1971 0.1956 0.1610 0.0113 -0.0073 0.0020 53 ILE A N -1068 C CA . ILE A 63 ? 0.2105 0.2062 0.1769 0.0109 -0.0038 0.0066 53 ILE A CA -1069 C C . ILE A 63 ? 0.1988 0.1902 0.1676 0.0100 -0.0025 0.0035 53 ILE A C -1070 O O . ILE A 63 ? 0.2091 0.2021 0.1747 0.0118 -0.0020 -0.0000 53 ILE A O -1071 C CB . ILE A 63 ? 0.2234 0.2242 0.1850 0.0125 -0.0014 0.0110 53 ILE A CB -1072 C CG1 . ILE A 63 ? 0.2458 0.2497 0.2048 0.0139 -0.0028 0.0154 53 ILE A CG1 -1073 C CG2 . ILE A 63 ? 0.2499 0.2479 0.2145 0.0106 0.0021 0.0149 53 ILE A CG2 -1074 C CD1 . ILE A 63 ? 0.3129 0.3223 0.2655 0.0157 -0.0007 0.0203 53 ILE A CD1 -1086 N N . ARG A 64 ? 0.1872 0.1736 0.1612 0.0080 -0.0016 0.0049 54 ARG A N -1087 C CA . ARG A 64 ? 0.1916 0.1746 0.1680 0.0076 -0.0006 0.0030 54 ARG A CA -1088 C C . ARG A 64 ? 0.2066 0.1902 0.1853 0.0062 0.0019 0.0070 54 ARG A C -1089 O O . ARG A 64 ? 0.2161 0.1962 0.1976 0.0043 0.0021 0.0092 54 ARG A O -1090 C CB . ARG A 64 ? 0.1944 0.1716 0.1743 0.0059 -0.0023 0.0010 54 ARG A CB -1091 C CG . ARG A 64 ? 0.1942 0.1711 0.1739 0.0049 -0.0051 -0.0014 54 ARG A CG -1092 C CD . ARG A 64 ? 0.2179 0.1946 0.1937 0.0059 -0.0068 -0.0061 54 ARG A CD -1093 N NE . ARG A 64 ? 0.2015 0.1762 0.1786 0.0032 -0.0098 -0.0092 54 ARG A NE -1094 C CZ . ARG A 64 ? 0.2141 0.1878 0.1877 0.0029 -0.0121 -0.0143 54 ARG A CZ -1095 N NH1 . ARG A 64 ? 0.2249 0.2006 0.1925 0.0060 -0.0119 -0.0170 54 ARG A NH1 -1096 N NH2 . ARG A 64 ? 0.2417 0.2127 0.2177 -0.0011 -0.0147 -0.0169 54 ARG A NH2 -1110 N N . ALA A 65 ? 0.1799 0.1683 0.1578 0.0070 0.0040 0.0076 55 ALA A N -1111 C CA . ALA A 65 ? 0.1715 0.1615 0.1521 0.0044 0.0062 0.0113 55 ALA A CA -1112 C C . ALA A 65 ? 0.1742 0.1621 0.1589 0.0033 0.0060 0.0098 55 ALA A C -1113 O O . ALA A 65 ? 0.1921 0.1822 0.1771 0.0057 0.0058 0.0072 55 ALA A O -1114 C CB . ALA A 65 ? 0.1909 0.1896 0.1699 0.0050 0.0087 0.0130 55 ALA A CB -1120 N N . ILE A 66 ? 0.1733 0.1571 0.1605 0.0002 0.0060 0.0116 56 ILE A N -1121 C CA . ILE A 66 ? 0.1790 0.1613 0.1692 -0.0009 0.0055 0.0103 56 ILE A CA -1122 C C . ILE A 66 ? 0.1764 0.1644 0.1691 -0.0035 0.0068 0.0116 56 ILE A C -1123 O O . ILE A 66 ? 0.1995 0.1872 0.1925 -0.0070 0.0080 0.0142 56 ILE A O -1124 C CB . ILE A 66 ? 0.1726 0.1479 0.1635 -0.0026 0.0047 0.0104 56 ILE A CB -1125 C CG1 . ILE A 66 ? 0.2050 0.1767 0.1948 -0.0009 0.0034 0.0096 56 ILE A CG1 -1126 C CG2 . ILE A 66 ? 0.2047 0.1795 0.1975 -0.0030 0.0039 0.0088 56 ILE A CG2 -1127 C CD1 A ILE A 66 ? 0.2082 0.1750 0.1990 -0.0019 0.0034 0.0103 56 ILE A CD1 -1139 N N . ILE A 67 ? 0.1659 0.1590 0.1606 -0.0020 0.0065 0.0101 57 ILE A N -1140 C CA . ILE A 67 ? 0.1644 0.1648 0.1627 -0.0049 0.0070 0.0110 57 ILE A CA -1141 C C . ILE A 67 ? 0.1573 0.1550 0.1567 -0.0052 0.0051 0.0094 57 ILE A C -1142 O O . ILE A 67 ? 0.1620 0.1594 0.1609 -0.0013 0.0040 0.0081 57 ILE A O -1143 C CB . ILE A 67 ? 0.1660 0.1781 0.1659 -0.0021 0.0082 0.0109 57 ILE A CB -1144 C CG1 . ILE A 67 ? 0.1806 0.1961 0.1782 -0.0012 0.0103 0.0123 57 ILE A CG1 -1145 C CG2 . ILE A 67 ? 0.1805 0.2028 0.1855 -0.0057 0.0084 0.0119 57 ILE A CG2 -1146 C CD1 . ILE A 67 ? 0.1954 0.2226 0.1938 0.0032 0.0119 0.0115 57 ILE A CD1 -1158 N N . GLU A 68 ? 0.1596 0.1545 0.1597 -0.0100 0.0048 0.0097 58 GLU A N -1159 C CA . GLU A 68 ? 0.1623 0.1550 0.1623 -0.0107 0.0031 0.0080 58 GLU A CA -1160 C C . GLU A 68 ? 0.1659 0.1695 0.1694 -0.0128 0.0024 0.0078 58 GLU A C -1161 O O . GLU A 68 ? 0.1773 0.1834 0.1827 -0.0184 0.0026 0.0079 58 GLU A O -1162 C CB . GLU A 68 ? 0.1748 0.1583 0.1730 -0.0141 0.0033 0.0075 58 GLU A CB -1163 C CG . GLU A 68 ? 0.1982 0.1738 0.1941 -0.0117 0.0039 0.0082 58 GLU A CG -1164 C CD . GLU A 68 ? 0.2380 0.2054 0.2324 -0.0140 0.0047 0.0087 58 GLU A CD -1165 O OE1 . GLU A 68 ? 0.2642 0.2314 0.2593 -0.0182 0.0054 0.0095 58 GLU A OE1 -1166 O OE2 . GLU A 68 ? 0.2550 0.2170 0.2478 -0.0115 0.0049 0.0088 58 GLU A OE2 -1173 N N . PHE A 69 ? 0.1670 0.1777 0.1717 -0.0083 0.0016 0.0077 59 PHE A N -1174 C CA . PHE A 69 ? 0.1574 0.1823 0.1665 -0.0089 0.0013 0.0081 59 PHE A CA -1175 C C . PHE A 69 ? 0.1735 0.2046 0.1841 -0.0111 -0.0012 0.0070 59 PHE A C -1176 O O . PHE A 69 ? 0.1613 0.2059 0.1764 -0.0127 -0.0018 0.0072 59 PHE A O -1177 C CB . PHE A 69 ? 0.1594 0.1904 0.1692 -0.0016 0.0019 0.0086 59 PHE A CB -1178 C CG . PHE A 69 ? 0.1643 0.1896 0.1712 0.0043 0.0004 0.0081 59 PHE A CG -1179 C CD1 . PHE A 69 ? 0.1654 0.1979 0.1736 0.0069 -0.0016 0.0085 59 PHE A CD1 -1180 C CD2 . PHE A 69 ? 0.1801 0.1933 0.1830 0.0071 0.0008 0.0077 59 PHE A CD2 -1181 C CE1 . PHE A 69 ? 0.1710 0.1970 0.1759 0.0123 -0.0028 0.0091 59 PHE A CE1 -1182 C CE2 . PHE A 69 ? 0.1659 0.1723 0.1660 0.0115 -0.0004 0.0078 59 PHE A CE2 -1183 C CZ . PHE A 69 ? 0.1739 0.1863 0.1749 0.0142 -0.0020 0.0089 59 PHE A CZ -1193 N N . SER A 70 ? 0.1559 0.1786 0.1627 -0.0109 -0.0025 0.0059 60 SER A N -1194 C CA . SER A 70 ? 0.1570 0.1847 0.1635 -0.0133 -0.0051 0.0044 60 SER A CA -1195 C C . SER A 70 ? 0.1527 0.1682 0.1542 -0.0150 -0.0052 0.0027 60 SER A C -1196 O O . SER A 70 ? 0.1689 0.1754 0.1674 -0.0115 -0.0041 0.0036 60 SER A O -1197 C CB . SER A 70 ? 0.1641 0.1994 0.1706 -0.0068 -0.0068 0.0057 60 SER A CB -1198 O OG . SER A 70 ? 0.1721 0.2109 0.1766 -0.0089 -0.0094 0.0043 60 SER A OG -1204 N N . ASN A 71 ? 0.1679 0.1838 0.1685 -0.0203 -0.0065 0.0000 61 ASN A N -1205 C CA . ASN A 71 ? 0.1732 0.1792 0.1684 -0.0210 -0.0066 -0.0022 61 ASN A CA -1206 C C . ASN A 71 ? 0.1835 0.1959 0.1757 -0.0197 -0.0091 -0.0035 61 ASN A C -1207 O O . ASN A 71 ? 0.1959 0.2028 0.1832 -0.0211 -0.0094 -0.0063 61 ASN A O -1208 C CB . ASN A 71 ? 0.1801 0.1778 0.1744 -0.0270 -0.0059 -0.0051 61 ASN A CB -1209 C CG . ASN A 71 ? 0.1698 0.1743 0.1655 -0.0335 -0.0082 -0.0082 61 ASN A CG -1210 O OD1 . ASN A 71 ? 0.1842 0.2023 0.1830 -0.0337 -0.0103 -0.0078 61 ASN A OD1 -1211 N ND2 . ASN A 71 ? 0.1820 0.1769 0.1759 -0.0391 -0.0078 -0.0112 61 ASN A ND2 -1218 N N . VAL A 72 ? 0.1721 0.1958 0.1663 -0.0163 -0.0108 -0.0014 62 VAL A N -1219 C CA . VAL A 72 ? 0.1655 0.1962 0.1562 -0.0139 -0.0134 -0.0014 62 VAL A CA -1220 C C . VAL A 72 ? 0.1764 0.1990 0.1626 -0.0082 -0.0119 0.0016 62 VAL A C -1221 O O . VAL A 72 ? 0.1846 0.2034 0.1724 -0.0041 -0.0104 0.0048 62 VAL A O -1222 C CB . VAL A 72 ? 0.1767 0.2228 0.1718 -0.0114 -0.0157 0.0005 62 VAL A CB -1223 C CG1 . VAL A 72 ? 0.1847 0.2386 0.1757 -0.0074 -0.0185 0.0018 62 VAL A CG1 -1224 C CG2 . VAL A 72 ? 0.2014 0.2578 0.2021 -0.0183 -0.0170 -0.0022 62 VAL A CG2 -1234 N N . CYS A 73 ? 0.1823 0.2030 0.1624 -0.0080 -0.0124 0.0006 63 CYS A N -1235 C CA . CYS A 73 ? 0.1952 0.2097 0.1712 -0.0035 -0.0108 0.0042 63 CYS A CA -1236 C C . CYS A 73 ? 0.1887 0.2095 0.1586 -0.0015 -0.0127 0.0052 63 CYS A C -1237 O O . CYS A 73 ? 0.1963 0.2210 0.1626 -0.0045 -0.0141 0.0012 63 CYS A O -1238 C CB . CYS A 73 ? 0.1979 0.2009 0.1721 -0.0049 -0.0077 0.0030 63 CYS A CB -1239 S SG . CYS A 73 ? 0.1939 0.1904 0.1658 -0.0006 -0.0055 0.0082 63 CYS A SG -1244 N N . ARG A 74 ? 0.1912 0.2118 0.1593 0.0038 -0.0125 0.0107 64 ARG A N -1245 C CA . ARG A 74 ? 0.1920 0.2175 0.1533 0.0066 -0.0138 0.0135 64 ARG A CA -1246 C C . ARG A 74 ? 0.1888 0.2077 0.1443 0.0058 -0.0110 0.0138 64 ARG A C -1247 O O . ARG A 74 ? 0.2101 0.2345 0.1588 0.0073 -0.0118 0.0152 64 ARG A O -1248 C CB . ARG A 74 ? 0.2021 0.2283 0.1634 0.0130 -0.0145 0.0201 64 ARG A CB -1249 C CG . ARG A 74 ? 0.2041 0.2172 0.1659 0.0149 -0.0115 0.0241 64 ARG A CG -1250 C CD . ARG A 74 ? 0.2233 0.2345 0.1850 0.0212 -0.0123 0.0298 64 ARG A CD -1251 N NE . ARG A 74 ? 0.2226 0.2196 0.1850 0.0218 -0.0096 0.0325 64 ARG A NE -1252 C CZ . ARG A 74 ? 0.2625 0.2522 0.2234 0.0268 -0.0095 0.0378 64 ARG A CZ -1253 N NH1 . ARG A 74 ? 0.2923 0.2879 0.2507 0.0330 -0.0120 0.0418 64 ARG A NH1 -1254 N NH2 . ARG A 74 ? 0.2723 0.2484 0.2337 0.0256 -0.0072 0.0392 64 ARG A NH2 -1268 N N . LYS A 75 ? 0.1945 0.2039 0.1523 0.0039 -0.0078 0.0128 65 LYS A N -1269 C CA . LYS A 75 ? 0.2150 0.2199 0.1685 0.0033 -0.0047 0.0134 65 LYS A CA -1270 C C . LYS A 75 ? 0.1951 0.2004 0.1465 0.0002 -0.0041 0.0066 65 LYS A C -1271 O O . LYS A 75 ? 0.2125 0.2197 0.1655 -0.0024 -0.0063 0.0016 65 LYS A O -1272 C CB . LYS A 75 ? 0.2100 0.2056 0.1676 0.0034 -0.0018 0.0165 65 LYS A CB -1273 C CG . LYS A 75 ? 0.2239 0.2168 0.1804 0.0065 -0.0016 0.0236 65 LYS A CG -1274 C CD . LYS A 75 ? 0.2275 0.2110 0.1879 0.0052 0.0009 0.0257 65 LYS A CD -1275 C CE . LYS A 75 ? 0.2426 0.2205 0.2008 0.0069 0.0017 0.0328 65 LYS A CE -1276 N NZ . LYS A 75 ? 0.2445 0.2223 0.2016 0.0114 -0.0009 0.0358 65 LYS A NZ -1290 N N . ASN A 76 ? 0.2100 0.2137 0.1571 0.0007 -0.0012 0.0066 66 ASN A N -1291 C CA . ASN A 76 ? 0.2166 0.2207 0.1595 -0.0007 -0.0005 -0.0000 66 ASN A CA -1292 C C . ASN A 76 ? 0.2082 0.2068 0.1521 -0.0001 0.0038 -0.0003 66 ASN A C -1293 O O . ASN A 76 ? 0.2225 0.2232 0.1609 0.0010 0.0058 -0.0033 66 ASN A O -1294 C CB . ASN A 76 ? 0.2144 0.2271 0.1482 0.0006 -0.0016 -0.0006 66 ASN A CB -1295 C CG . ASN A 76 ? 0.2277 0.2419 0.1566 -0.0015 -0.0033 -0.0094 66 ASN A CG -1296 O OD1 . ASN A 76 ? 0.2297 0.2393 0.1624 -0.0046 -0.0047 -0.0144 66 ASN A OD1 -1297 N ND2 . ASN A 76 ? 0.2524 0.2726 0.1723 0.0001 -0.0028 -0.0112 66 ASN A ND2 -1304 N N . CYS A 77 ? 0.2001 0.1932 0.1511 -0.0004 0.0051 0.0023 67 CYS A N -1305 C CA . CYS A 77 ? 0.1948 0.1850 0.1479 0.0003 0.0087 0.0024 67 CYS A CA -1306 C C . CYS A 77 ? 0.2018 0.1900 0.1522 0.0009 0.0098 -0.0043 67 CYS A C -1307 O O . CYS A 77 ? 0.2170 0.2007 0.1678 -0.0007 0.0077 -0.0090 67 CYS A O -1308 C CB . CYS A 77 ? 0.1926 0.1775 0.1535 -0.0007 0.0088 0.0047 67 CYS A CB -1309 S SG . CYS A 77 ? 0.2105 0.1945 0.1742 -0.0009 0.0073 0.0113 67 CYS A SG -1314 N N . LEU A 78 ? 0.2037 0.1947 0.1515 0.0032 0.0133 -0.0047 68 LEU A N -1315 C CA . LEU A 78 ? 0.2154 0.2045 0.1587 0.0051 0.0146 -0.0117 68 LEU A CA -1316 C C . LEU A 78 ? 0.2177 0.1979 0.1658 0.0054 0.0147 -0.0148 68 LEU A C -1317 O O . LEU A 78 ? 0.2240 0.1984 0.1686 0.0062 0.0145 -0.0211 68 LEU A O -1318 C CB . LEU A 78 ? 0.2146 0.2106 0.1540 0.0085 0.0189 -0.0112 68 LEU A CB -1319 C CG . LEU A 78 ? 0.2560 0.2598 0.1859 0.0093 0.0190 -0.0117 68 LEU A CG -1320 C CD1 . LEU A 78 ? 0.2745 0.2829 0.2041 0.0072 0.0171 -0.0046 68 LEU A CD1 -1321 C CD2 . LEU A 78 ? 0.2551 0.2665 0.1810 0.0131 0.0240 -0.0119 68 LEU A CD2 -1333 N N . TYR A 79 ? 0.2096 0.1880 0.1653 0.0049 0.0150 -0.0106 69 TYR A N -1334 C CA . TYR A 79 ? 0.2029 0.1738 0.1630 0.0058 0.0152 -0.0124 69 TYR A CA -1335 C C . TYR A 79 ? 0.2066 0.1704 0.1683 0.0024 0.0120 -0.0136 69 TYR A C -1336 O O . TYR A 79 ? 0.2127 0.1687 0.1763 0.0030 0.0120 -0.0153 69 TYR A O -1337 C CB . TYR A 79 ? 0.1993 0.1736 0.1664 0.0069 0.0168 -0.0075 69 TYR A CB -1338 C CG . TYR A 79 ? 0.1861 0.1639 0.1565 0.0038 0.0155 -0.0020 69 TYR A CG -1339 C CD1 . TYR A 79 ? 0.1969 0.1705 0.1705 0.0014 0.0128 -0.0006 69 TYR A CD1 -1340 C CD2 . TYR A 79 ? 0.1906 0.1755 0.1608 0.0035 0.0173 0.0020 69 TYR A CD2 -1341 C CE1 . TYR A 79 ? 0.1857 0.1611 0.1615 -0.0004 0.0117 0.0038 69 TYR A CE1 -1342 C CE2 . TYR A 79 ? 0.2053 0.1908 0.1778 0.0009 0.0162 0.0068 69 TYR A CE2 -1343 C CZ . TYR A 79 ? 0.1992 0.1795 0.1743 -0.0007 0.0134 0.0075 69 TYR A CZ -1344 O OH . TYR A 79 ? 0.2254 0.2051 0.2022 -0.0024 0.0124 0.0119 69 TYR A OH -1354 N N . CYS A 80 ? 0.2003 0.1670 0.1621 -0.0007 0.0094 -0.0119 70 CYS A N -1355 C CA . CYS A 80 ? 0.2009 0.1641 0.1666 -0.0037 0.0070 -0.0111 70 CYS A CA -1356 C C . CYS A 80 ? 0.1879 0.1485 0.1506 -0.0071 0.0047 -0.0158 70 CYS A C -1357 O O . CYS A 80 ? 0.2108 0.1767 0.1692 -0.0081 0.0032 -0.0177 70 CYS A O -1358 C CB . CYS A 80 ? 0.2023 0.1712 0.1709 -0.0044 0.0057 -0.0062 70 CYS A CB -1359 S SG . CYS A 80 ? 0.2021 0.1695 0.1758 -0.0071 0.0034 -0.0048 70 CYS A SG -1364 N N . GLY A 81 ? 0.1983 0.1514 0.1634 -0.0094 0.0042 -0.0171 71 GLY A N -1365 C CA . GLY A 81 ? 0.2142 0.1647 0.1774 -0.0141 0.0019 -0.0213 71 GLY A CA -1366 C C . GLY A 81 ? 0.2025 0.1630 0.1677 -0.0174 -0.0010 -0.0198 71 GLY A C -1367 O O . GLY A 81 ? 0.2332 0.1953 0.1964 -0.0217 -0.0034 -0.0238 71 GLY A O -1371 N N . LEU A 82 ? 0.1979 0.1649 0.1669 -0.0155 -0.0010 -0.0145 72 LEU A N -1372 C CA . LEU A 82 ? 0.1983 0.1752 0.1694 -0.0170 -0.0037 -0.0129 72 LEU A CA -1373 C C . LEU A 82 ? 0.2008 0.1856 0.1672 -0.0149 -0.0049 -0.0126 72 LEU A C -1374 O O . LEU A 82 ? 0.2056 0.1997 0.1732 -0.0150 -0.0074 -0.0109 72 LEU A O -1375 C CB . LEU A 82 ? 0.1861 0.1655 0.1627 -0.0152 -0.0033 -0.0078 72 LEU A CB -1376 C CG . LEU A 82 ? 0.2404 0.2135 0.2209 -0.0167 -0.0019 -0.0069 72 LEU A CG -1377 C CD1 . LEU A 82 ? 0.2144 0.1924 0.1994 -0.0149 -0.0020 -0.0029 72 LEU A CD1 -1378 C CD2 . LEU A 82 ? 0.2773 0.2474 0.2583 -0.0217 -0.0026 -0.0099 72 LEU A CD2 -1390 N N . ARG A 83 ? 0.1944 0.1769 0.1556 -0.0124 -0.0032 -0.0138 73 ARG A N -1391 C CA . ARG A 83 ? 0.2012 0.1917 0.1571 -0.0102 -0.0040 -0.0128 73 ARG A CA -1392 C C . ARG A 83 ? 0.2061 0.2045 0.1597 -0.0131 -0.0079 -0.0161 73 ARG A C -1393 O O . ARG A 83 ? 0.2089 0.2049 0.1624 -0.0175 -0.0094 -0.0215 73 ARG A O -1394 C CB . ARG A 83 ? 0.2013 0.1890 0.1512 -0.0079 -0.0013 -0.0150 73 ARG A CB -1395 C CG . ARG A 83 ? 0.2173 0.2000 0.1624 -0.0098 -0.0015 -0.0228 73 ARG A CG -1396 C CD . ARG A 83 ? 0.2149 0.1932 0.1561 -0.0060 0.0023 -0.0248 73 ARG A CD -1397 N NE . ARG A 83 ? 0.2248 0.2116 0.1618 -0.0028 0.0039 -0.0212 73 ARG A NE -1398 C CZ . ARG A 83 ? 0.2244 0.2175 0.1530 -0.0019 0.0033 -0.0239 73 ARG A CZ -1399 N NH1 . ARG A 83 ? 0.2397 0.2314 0.1629 -0.0040 0.0010 -0.0316 73 ARG A NH1 -1400 N NH2 . ARG A 83 ? 0.2535 0.2542 0.1788 0.0010 0.0053 -0.0189 73 ARG A NH2 -1414 N N . ARG A 84 ? 0.1996 0.2077 0.1513 -0.0108 -0.0097 -0.0125 74 ARG A N -1415 C CA . ARG A 84 ? 0.2167 0.2355 0.1675 -0.0131 -0.0141 -0.0148 74 ARG A CA -1416 C C . ARG A 84 ? 0.2352 0.2548 0.1792 -0.0165 -0.0157 -0.0225 74 ARG A C -1417 O O . ARG A 84 ? 0.2351 0.2607 0.1801 -0.0211 -0.0193 -0.0267 74 ARG A O -1418 C CB . ARG A 84 ? 0.2151 0.2442 0.1638 -0.0085 -0.0157 -0.0089 74 ARG A CB -1419 C CG . ARG A 84 ? 0.2395 0.2700 0.1796 -0.0050 -0.0144 -0.0071 74 ARG A CG -1420 C CD . ARG A 84 ? 0.2536 0.2932 0.1910 -0.0003 -0.0163 -0.0002 74 ARG A CD -1421 N NE . ARG A 84 ? 0.2548 0.2958 0.1830 0.0022 -0.0145 0.0013 74 ARG A NE -1422 C CZ . ARG A 84 ? 0.2522 0.2877 0.1787 0.0051 -0.0107 0.0076 74 ARG A CZ -1423 N NH1 . ARG A 84 ? 0.2552 0.2829 0.1882 0.0062 -0.0088 0.0126 74 ARG A NH1 -1424 N NH2 . ARG A 84 ? 0.2631 0.3013 0.1809 0.0065 -0.0086 0.0083 74 ARG A NH2 -1438 N N . ASP A 85 ? 0.2256 0.2396 0.1628 -0.0144 -0.0130 -0.0248 75 ASP A N -1439 C CA . ASP A 85 ? 0.2488 0.2623 0.1783 -0.0169 -0.0144 -0.0332 75 ASP A CA -1440 C C . ASP A 85 ? 0.2557 0.2574 0.1874 -0.0220 -0.0144 -0.0399 75 ASP A C -1441 O O . ASP A 85 ? 0.2777 0.2774 0.2033 -0.0252 -0.0162 -0.0479 75 ASP A O -1442 C CB . ASP A 85 ? 0.2492 0.2618 0.1699 -0.0123 -0.0113 -0.0339 75 ASP A CB -1443 C CG . ASP A 85 ? 0.2988 0.3241 0.2135 -0.0088 -0.0124 -0.0295 75 ASP A CG -1444 O OD1 . ASP A 85 ? 0.3171 0.3520 0.2338 -0.0096 -0.0163 -0.0268 75 ASP A OD1 -1445 O OD2 . ASP A 85 ? 0.2973 0.3234 0.2051 -0.0051 -0.0093 -0.0289 75 ASP A OD2 -1450 N N . ASN A 86 ? 0.2552 0.2486 0.1945 -0.0231 -0.0125 -0.0372 76 ASN A N -1451 C CA . ASN A 86 ? 0.2484 0.2296 0.1896 -0.0280 -0.0124 -0.0424 76 ASN A CA -1452 C C . ASN A 86 ? 0.2772 0.2646 0.2226 -0.0353 -0.0165 -0.0443 76 ASN A C -1453 O O . ASN A 86 ? 0.2727 0.2646 0.2262 -0.0369 -0.0169 -0.0393 76 ASN A O -1454 C CB . ASN A 86 ? 0.2491 0.2204 0.1963 -0.0260 -0.0088 -0.0378 76 ASN A CB -1455 C CG . ASN A 86 ? 0.2800 0.2380 0.2288 -0.0307 -0.0085 -0.0417 76 ASN A CG -1456 O OD1 . ASN A 86 ? 0.3180 0.2718 0.2625 -0.0357 -0.0107 -0.0487 76 ASN A OD1 -1457 N ND2 . ASN A 86 ? 0.2693 0.2202 0.2234 -0.0298 -0.0062 -0.0374 76 ASN A ND2 -1464 N N . LYS A 87 ? 0.2787 0.2682 0.2188 -0.0399 -0.0198 -0.0517 77 LYS A N -1465 C CA . LYS A 87 ? 0.3020 0.2991 0.2466 -0.0481 -0.0240 -0.0541 77 LYS A CA -1466 C C . LYS A 87 ? 0.2900 0.2730 0.2382 -0.0554 -0.0234 -0.0573 77 LYS A C -1467 O O . LYS A 87 ? 0.3836 0.3729 0.3368 -0.0634 -0.0265 -0.0588 77 LYS A O -1468 C CB . LYS A 87 ? 0.3586 0.3660 0.2960 -0.0508 -0.0286 -0.0610 77 LYS A CB -1469 C CG . LYS A 87 ? 0.3616 0.3821 0.2937 -0.0437 -0.0292 -0.0576 77 LYS A CG -1470 C CD . LYS A 87 ? 0.8157 0.8491 0.7552 -0.0396 -0.0294 -0.0480 77 LYS A CD -1471 C CE . LYS A 87 ? 1.0755 1.1190 1.0084 -0.0321 -0.0296 -0.0438 77 LYS A CE -1472 N NZ . LYS A 87 ? 0.9650 1.0201 0.9042 -0.0278 -0.0304 -0.0349 77 LYS A NZ -1486 N N A ASN A 88 ? 0.3563 0.3209 0.3021 -0.0530 -0.0195 -0.0581 78 ASN A N -1487 N N B ASN A 88 ? 0.2688 0.2334 0.2146 -0.0526 -0.0194 -0.0579 78 ASN A N -1488 C CA A ASN A 88 ? 0.3198 0.2692 0.2683 -0.0597 -0.0188 -0.0603 78 ASN A CA -1489 C CA B ASN A 88 ? 0.3323 0.2802 0.2802 -0.0582 -0.0182 -0.0599 78 ASN A CA -1490 C C A ASN A 88 ? 0.3064 0.2600 0.2652 -0.0619 -0.0177 -0.0523 78 ASN A C -1491 C C B ASN A 88 ? 0.3318 0.2788 0.2887 -0.0580 -0.0157 -0.0516 78 ASN A C -1492 O O A ASN A 88 ? 0.3894 0.3391 0.3526 -0.0702 -0.0185 -0.0528 78 ASN A O -1493 O O B ASN A 88 ? 0.3928 0.3240 0.3501 -0.0580 -0.0129 -0.0505 78 ASN A O -1494 C CB A ASN A 88 ? 0.3450 0.2744 0.2873 -0.0544 -0.0150 -0.0629 78 ASN A CB -1495 C CB B ASN A 88 ? 0.4424 0.3710 0.3827 -0.0536 -0.0150 -0.0643 78 ASN A CB -1496 C CG A ASN A 88 ? 0.4209 0.3303 0.3618 -0.0606 -0.0147 -0.0674 78 ASN A CG -1497 C CG B ASN A 88 ? 0.4724 0.3973 0.4026 -0.0545 -0.0170 -0.0743 78 ASN A CG -1498 O OD1 A ASN A 88 ? 0.4310 0.3399 0.3730 -0.0703 -0.0179 -0.0716 78 ASN A OD1 -1499 O OD1 B ASN A 88 ? 0.5721 0.5051 0.5009 -0.0615 -0.0214 -0.0793 78 ASN A OD1 -1500 N ND2 A ASN A 88 ? 0.4131 0.3056 0.3514 -0.0548 -0.0109 -0.0667 78 ASN A ND2 -1501 N ND2 B ASN A 88 ? 0.5704 0.4840 0.4933 -0.0473 -0.0139 -0.0776 78 ASN A ND2 -1514 N N A LEU A 89 ? 0.3495 0.3119 0.3121 -0.0552 -0.0160 -0.0452 79 LEU A N -1515 N N B LEU A 89 ? 0.2967 0.2600 0.2599 -0.0567 -0.0165 -0.0456 79 LEU A N -1516 C CA A LEU A 89 ? 0.2727 0.2371 0.2434 -0.0555 -0.0141 -0.0382 79 LEU A CA -1517 C CA B LEU A 89 ? 0.2844 0.2487 0.2553 -0.0556 -0.0141 -0.0381 79 LEU A CA -1518 C C A LEU A 89 ? 0.2283 0.2103 0.2062 -0.0607 -0.0169 -0.0361 79 LEU A C -1519 C C B LEU A 89 ? 0.2997 0.2818 0.2779 -0.0600 -0.0167 -0.0354 79 LEU A C -1520 O O A LEU A 89 ? 0.2655 0.2628 0.2434 -0.0592 -0.0198 -0.0366 79 LEU A O -1521 O O B LEU A 89 ? 0.2742 0.2713 0.2525 -0.0569 -0.0189 -0.0347 79 LEU A O -1522 C CB . LEU A 89 ? 0.2819 0.2477 0.2526 -0.0462 -0.0114 -0.0327 79 LEU A CB -1523 C CG . LEU A 89 ? 0.2747 0.2409 0.2521 -0.0446 -0.0091 -0.0259 79 LEU A CG -1524 C CD1 . LEU A 89 ? 0.2977 0.2482 0.2754 -0.0473 -0.0068 -0.0255 79 LEU A CD1 -1525 C CD2 . LEU A 89 ? 0.2768 0.2450 0.2536 -0.0363 -0.0073 -0.0218 79 LEU A CD2 -1541 N N . LYS A 90 ? 0.2590 0.2402 0.2434 -0.0664 -0.0160 -0.0332 80 LYS A N -1542 C CA . LYS A 90 ? 0.2451 0.2452 0.2376 -0.0699 -0.0177 -0.0301 80 LYS A CA -1543 C C . LYS A 90 ? 0.2161 0.2248 0.2119 -0.0610 -0.0158 -0.0234 80 LYS A C -1544 O O . LYS A 90 ? 0.2263 0.2255 0.2217 -0.0565 -0.0124 -0.0197 80 LYS A O -1545 C CB . LYS A 90 ? 0.2598 0.2564 0.2579 -0.0791 -0.0166 -0.0287 80 LYS A CB -1546 C CG . LYS A 90 ? 0.3384 0.3561 0.3461 -0.0826 -0.0174 -0.0248 80 LYS A CG -1547 C CD . LYS A 90 ? 0.8572 0.8922 0.8674 -0.0880 -0.0222 -0.0291 80 LYS A CD -1548 C CE . LYS A 90 ? 0.6612 0.7179 0.6822 -0.0925 -0.0227 -0.0253 80 LYS A CE -1549 N NZ . LYS A 90 ? 1.1513 1.2284 1.1750 -0.0960 -0.0279 -0.0291 80 LYS A NZ -1562 N N . ARG A 91 ? 0.2063 0.2329 0.2050 -0.0582 -0.0181 -0.0221 81 ARG A N -1563 C CA . ARG A 91 ? 0.1959 0.2295 0.1970 -0.0496 -0.0167 -0.0165 81 ARG A CA -1564 C C . ARG A 91 ? 0.1877 0.2342 0.1974 -0.0513 -0.0160 -0.0127 81 ARG A C -1565 O O . ARG A 91 ? 0.2087 0.2658 0.2235 -0.0588 -0.0176 -0.0140 81 ARG A O -1566 C CB . ARG A 91 ? 0.2075 0.2513 0.2053 -0.0439 -0.0195 -0.0168 81 ARG A CB -1567 C CG . ARG A 91 ? 0.2217 0.2548 0.2104 -0.0421 -0.0198 -0.0204 81 ARG A CG -1568 C CD . ARG A 91 ? 0.2279 0.2476 0.2133 -0.0360 -0.0162 -0.0178 81 ARG A CD -1569 N NE . ARG A 91 ? 0.2212 0.2333 0.1983 -0.0346 -0.0162 -0.0215 81 ARG A NE -1570 C CZ . ARG A 91 ? 0.2335 0.2392 0.2066 -0.0287 -0.0139 -0.0195 81 ARG A CZ -1571 N NH1 . ARG A 91 ? 0.2215 0.2261 0.1975 -0.0239 -0.0118 -0.0141 81 ARG A NH1 -1572 N NH2 . ARG A 91 ? 0.2411 0.2421 0.2068 -0.0277 -0.0136 -0.0232 81 ARG A NH2 -1586 N N . TYR A 92 ? 0.1789 0.2245 0.1900 -0.0445 -0.0133 -0.0081 82 TYR A N -1587 C CA . TYR A 92 ? 0.1764 0.2340 0.1946 -0.0442 -0.0118 -0.0045 82 TYR A CA -1588 C C . TYR A 92 ? 0.1534 0.2144 0.1714 -0.0339 -0.0108 -0.0011 82 TYR A C -1589 O O . TYR A 92 ? 0.1658 0.2162 0.1784 -0.0281 -0.0103 -0.0007 82 TYR A O -1590 C CB . TYR A 92 ? 0.1662 0.2139 0.1856 -0.0486 -0.0082 -0.0025 82 TYR A CB -1591 C CG . TYR A 92 ? 0.1740 0.2067 0.1887 -0.0425 -0.0055 -0.0006 82 TYR A CG -1592 C CD1 . TYR A 92 ? 0.1887 0.2042 0.1975 -0.0430 -0.0050 -0.0026 82 TYR A CD1 -1593 C CD2 . TYR A 92 ? 0.1782 0.2144 0.1942 -0.0359 -0.0035 0.0028 82 TYR A CD2 -1594 C CE1 . TYR A 92 ? 0.1829 0.1870 0.1882 -0.0376 -0.0029 -0.0008 82 TYR A CE1 -1595 C CE2 . TYR A 92 ? 0.1646 0.1881 0.1763 -0.0309 -0.0016 0.0041 82 TYR A CE2 -1596 C CZ . TYR A 92 ? 0.1761 0.1846 0.1830 -0.0320 -0.0013 0.0025 82 TYR A CZ -1597 O OH . TYR A 92 ? 0.1857 0.1837 0.1892 -0.0276 0.0002 0.0037 82 TYR A OH -1607 N N . ARG A 93 ? 0.1646 0.2409 0.1889 -0.0320 -0.0103 0.0013 83 ARG A N -1608 C CA . ARG A 93 ? 0.1727 0.2516 0.1974 -0.0226 -0.0087 0.0043 83 ARG A CA -1609 C C . ARG A 93 ? 0.1723 0.2608 0.2028 -0.0237 -0.0059 0.0064 83 ARG A C -1610 O O . ARG A 93 ? 0.1774 0.2814 0.2143 -0.0290 -0.0064 0.0065 83 ARG A O -1611 C CB . ARG A 93 ? 0.2435 0.3376 0.2703 -0.0164 -0.0115 0.0049 83 ARG A CB -1612 C CG . ARG A 93 ? 0.2428 0.3303 0.2635 -0.0131 -0.0140 0.0042 83 ARG A CG -1613 C CD . ARG A 93 ? 0.2394 0.3427 0.2623 -0.0065 -0.0168 0.0059 83 ARG A CD -1614 N NE . ARG A 93 ? 0.1940 0.2891 0.2098 -0.0023 -0.0185 0.0064 83 ARG A NE -1615 C CZ . ARG A 93 ? 0.2068 0.3122 0.2212 -0.0010 -0.0222 0.0064 83 ARG A CZ -1616 N NH1 . ARG A 93 ? 0.2095 0.3346 0.2296 -0.0042 -0.0251 0.0052 83 ARG A NH1 -1617 N NH2 . ARG A 93 ? 0.2038 0.3006 0.2109 0.0032 -0.0230 0.0078 83 ARG A NH2 -1631 N N . MET A 94 ? 0.1566 0.2374 0.1847 -0.0183 -0.0030 0.0080 84 MET A N -1632 C CA . MET A 94 ? 0.1507 0.2412 0.1829 -0.0174 0.0001 0.0101 84 MET A CA -1633 C C . MET A 94 ? 0.1512 0.2561 0.1864 -0.0083 -0.0001 0.0108 84 MET A C -1634 O O . MET A 94 ? 0.1685 0.2675 0.2000 -0.0005 -0.0015 0.0104 84 MET A O -1635 C CB . MET A 94 ? 0.1553 0.2313 0.1825 -0.0155 0.0030 0.0110 84 MET A CB -1636 C CG . MET A 94 ? 0.1672 0.2299 0.1917 -0.0233 0.0036 0.0111 84 MET A CG -1637 S SD . MET A 94 ? 0.1783 0.2254 0.1968 -0.0206 0.0063 0.0125 84 MET A SD -1638 C CE . MET A 94 ? 0.1853 0.2467 0.2069 -0.0195 0.0099 0.0154 84 MET A CE -1648 N N . THR A 95 ? 0.1618 0.2848 0.2036 -0.0089 0.0017 0.0122 85 THR A N -1649 C CA . THR A 95 ? 0.1523 0.2886 0.1968 0.0012 0.0021 0.0127 85 THR A CA -1650 C C . THR A 95 ? 0.1751 0.2997 0.2137 0.0095 0.0048 0.0124 85 THR A C -1651 O O . THR A 95 ? 0.1760 0.2889 0.2107 0.0062 0.0069 0.0125 85 THR A O -1652 C CB . THR A 95 ? 0.1638 0.3253 0.2174 -0.0012 0.0038 0.0142 85 THR A CB -1653 O OG1 . THR A 95 ? 0.1708 0.3308 0.2241 -0.0051 0.0081 0.0157 85 THR A OG1 -1654 C CG2 . THR A 95 ? 0.1806 0.3558 0.2410 -0.0113 0.0011 0.0141 85 THR A CG2 -1662 N N . PRO A 96 ? 0.1779 0.3073 0.2163 0.0205 0.0047 0.0120 86 PRO A N -1663 C CA . PRO A 96 ? 0.2014 0.3207 0.2343 0.0280 0.0072 0.0107 86 PRO A CA -1664 C C . PRO A 96 ? 0.2158 0.3435 0.2501 0.0256 0.0113 0.0113 86 PRO A C -1665 O O . PRO A 96 ? 0.2165 0.3311 0.2446 0.0260 0.0131 0.0103 86 PRO A O -1666 C CB . PRO A 96 ? 0.2265 0.3513 0.2597 0.0403 0.0064 0.0102 86 PRO A CB -1667 C CG . PRO A 96 ? 0.2471 0.3764 0.2829 0.0393 0.0023 0.0116 86 PRO A CG -1668 C CD . PRO A 96 ? 0.2184 0.3577 0.2595 0.0271 0.0017 0.0123 86 PRO A CD -1676 N N . GLU A 97 ? 0.2005 0.3503 0.2427 0.0225 0.0129 0.0131 87 GLU A N -1677 C CA . GLU A 97 ? 0.2269 0.3860 0.2704 0.0194 0.0173 0.0145 87 GLU A CA -1678 C C . GLU A 97 ? 0.2208 0.3657 0.2604 0.0092 0.0180 0.0160 87 GLU A C -1679 O O . GLU A 97 ? 0.2261 0.3664 0.2611 0.0096 0.0210 0.0166 87 GLU A O -1680 C CB . GLU A 97 ? 0.2357 0.4229 0.2896 0.0162 0.0188 0.0169 87 GLU A CB -1681 C CG . GLU A 97 ? 0.2769 0.4763 0.3326 0.0125 0.0240 0.0194 87 GLU A CG -1682 C CD . GLU A 97 ? 0.4863 0.6867 0.5452 -0.0025 0.0250 0.0231 87 GLU A CD -1683 O OE1 . GLU A 97 ? 0.2811 0.4751 0.3423 -0.0114 0.0217 0.0232 87 GLU A OE1 -1684 O OE2 . GLU A 97 ? 0.5734 0.7807 0.6321 -0.0053 0.0295 0.0260 87 GLU A OE2 -1691 N N . GLU A 98 ? 0.1954 0.3344 0.2368 0.0002 0.0153 0.0167 88 GLU A N -1692 C CA . GLU A 98 ? 0.1981 0.3220 0.2357 -0.0084 0.0159 0.0181 88 GLU A CA -1693 C C . GLU A 98 ? 0.1852 0.2890 0.2139 -0.0032 0.0156 0.0164 88 GLU A C -1694 O O . GLU A 98 ? 0.2000 0.2965 0.2246 -0.0055 0.0177 0.0179 88 GLU A O -1695 C CB . GLU A 98 ? 0.1905 0.3086 0.2301 -0.0171 0.0126 0.0177 88 GLU A CB -1696 C CG . GLU A 98 ? 0.2110 0.3447 0.2585 -0.0266 0.0130 0.0195 88 GLU A CG -1697 C CD . GLU A 98 ? 0.2493 0.3746 0.2969 -0.0341 0.0092 0.0176 88 GLU A CD -1698 O OE1 . GLU A 98 ? 0.2253 0.3498 0.2721 -0.0300 0.0056 0.0149 88 GLU A OE1 -1699 O OE2 . GLU A 98 ? 0.2784 0.3992 0.3271 -0.0445 0.0098 0.0188 88 GLU A OE2 -1706 N N . ILE A 99 ? 0.1742 0.2694 0.2000 0.0033 0.0129 0.0137 89 ILE A N -1707 C CA . ILE A 99 ? 0.1848 0.2613 0.2031 0.0070 0.0122 0.0119 89 ILE A CA -1708 C C . ILE A 99 ? 0.1684 0.2460 0.1827 0.0132 0.0149 0.0110 89 ILE A C -1709 O O . ILE A 99 ? 0.1845 0.2522 0.1936 0.0120 0.0156 0.0110 89 ILE A O -1710 C CB . ILE A 99 ? 0.1671 0.2349 0.1836 0.0118 0.0091 0.0099 89 ILE A CB -1711 C CG1 . ILE A 99 ? 0.1687 0.2354 0.1876 0.0058 0.0064 0.0104 89 ILE A CG1 -1712 C CG2 . ILE A 99 ? 0.1808 0.2309 0.1904 0.0148 0.0086 0.0081 89 ILE A CG2 -1713 C CD1 . ILE A 99 ? 0.1745 0.2387 0.1926 0.0109 0.0036 0.0095 89 ILE A CD1 -1725 N N . VAL A 100 ? 0.1774 0.2671 0.1936 0.0205 0.0160 0.0098 90 VAL A N -1726 C CA . VAL A 100 ? 0.1880 0.2789 0.1994 0.0274 0.0186 0.0077 90 VAL A CA -1727 C C . VAL A 100 ? 0.1818 0.2801 0.1926 0.0223 0.0220 0.0105 90 VAL A C -1728 O O . VAL A 100 ? 0.1862 0.2771 0.1901 0.0240 0.0230 0.0094 90 VAL A O -1729 C CB . VAL A 100 ? 0.1871 0.2906 0.2010 0.0371 0.0195 0.0058 90 VAL A CB -1730 C CG1 . VAL A 100 ? 0.2086 0.3168 0.2178 0.0441 0.0228 0.0033 90 VAL A CG1 -1731 C CG2 . VAL A 100 ? 0.2227 0.3148 0.2350 0.0433 0.0162 0.0035 90 VAL A CG2 -1741 N N . GLU A 101 ? 0.1770 0.2902 0.1945 0.0159 0.0237 0.0143 91 GLU A N -1742 C CA . GLU A 101 ? 0.1978 0.3177 0.2143 0.0108 0.0274 0.0181 91 GLU A CA -1743 C C . GLU A 101 ? 0.1986 0.3015 0.2100 0.0044 0.0265 0.0201 91 GLU A C -1744 O O . GLU A 101 ? 0.2070 0.3085 0.2132 0.0039 0.0287 0.0221 91 GLU A O -1745 C CB . GLU A 101 ? 0.2167 0.3571 0.2423 0.0045 0.0298 0.0220 91 GLU A CB -1746 C CG . GLU A 101 ? 0.2601 0.4213 0.2904 0.0125 0.0317 0.0205 91 GLU A CG -1747 C CD . GLU A 101 ? 0.3849 0.5482 0.4081 0.0223 0.0348 0.0179 91 GLU A CD -1748 O OE1 . GLU A 101 ? 0.3003 0.4639 0.3187 0.0196 0.0378 0.0204 91 GLU A OE1 -1749 O OE2 . GLU A 101 ? 0.3807 0.5432 0.4021 0.0329 0.0338 0.0133 91 GLU A OE2 -1756 N N . ARG A 102 ? 0.1918 0.2821 0.2043 0.0001 0.0231 0.0197 92 ARG A N -1757 C CA . ARG A 102 ? 0.1963 0.2701 0.2041 -0.0044 0.0221 0.0212 92 ARG A CA -1758 C C . ARG A 102 ? 0.1899 0.2526 0.1902 0.0020 0.0210 0.0183 92 ARG A C -1759 O O . ARG A 102 ? 0.2049 0.2615 0.2001 0.0007 0.0217 0.0202 92 ARG A O -1760 C CB . ARG A 102 ? 0.2013 0.2655 0.2119 -0.0096 0.0190 0.0207 92 ARG A CB -1761 C CG . ARG A 102 ? 0.2218 0.2706 0.2286 -0.0141 0.0183 0.0224 92 ARG A CG -1762 C CD . ARG A 102 ? 0.2338 0.2836 0.2407 -0.0210 0.0210 0.0276 92 ARG A CD -1763 N NE . ARG A 102 ? 0.2361 0.2692 0.2393 -0.0238 0.0198 0.0289 92 ARG A NE -1764 C CZ . ARG A 102 ? 0.2335 0.2609 0.2353 -0.0294 0.0215 0.0336 92 ARG A CZ -1765 N NH1 . ARG A 102 ? 0.2582 0.2953 0.2625 -0.0346 0.0245 0.0380 92 ARG A NH1 -1766 N NH2 . ARG A 102 ? 0.2693 0.2808 0.2676 -0.0299 0.0199 0.0337 92 ARG A NH2 -1780 N N . ALA A 103 ? 0.1809 0.2414 0.1802 0.0087 0.0192 0.0138 93 ALA A N -1781 C CA . ALA A 103 ? 0.1763 0.2273 0.1688 0.0143 0.0181 0.0102 93 ALA A CA -1782 C C . ALA A 103 ? 0.1974 0.2568 0.1852 0.0177 0.0210 0.0102 93 ALA A C -1783 O O . ALA A 103 ? 0.1963 0.2490 0.1780 0.0180 0.0204 0.0097 93 ALA A O -1784 C CB . ALA A 103 ? 0.1963 0.2428 0.1886 0.0207 0.0160 0.0057 93 ALA A CB -1790 N N . ARG A 104 ? 0.1755 0.2508 0.1660 0.0202 0.0241 0.0108 94 ARG A N -1791 C CA . ARG A 104 ? 0.2027 0.2877 0.1882 0.0236 0.0274 0.0109 94 ARG A CA -1792 C C . ARG A 104 ? 0.2029 0.2869 0.1853 0.0173 0.0288 0.0163 94 ARG A C -1793 O O . ARG A 104 ? 0.2032 0.2864 0.1779 0.0200 0.0295 0.0157 94 ARG A O -1794 C CB . ARG A 104 ? 0.2061 0.3109 0.1969 0.0262 0.0309 0.0118 94 ARG A CB -1795 C CG . ARG A 104 ? 0.2175 0.3343 0.2028 0.0314 0.0349 0.0111 94 ARG A CG -1796 C CD . ARG A 104 ? 0.2546 0.3945 0.2461 0.0337 0.0392 0.0128 94 ARG A CD -1797 N NE . ARG A 104 ? 0.2573 0.4011 0.2554 0.0383 0.0377 0.0100 94 ARG A NE -1798 C CZ . ARG A 104 ? 0.2937 0.4320 0.2885 0.0485 0.0363 0.0037 94 ARG A CZ -1799 N NH1 . ARG A 104 ? 0.2983 0.4401 0.2994 0.0527 0.0347 0.0023 94 ARG A NH1 -1800 N NH2 . ARG A 104 ? 0.3280 0.4579 0.3131 0.0549 0.0363 -0.0013 94 ARG A NH2 -1814 N N . LEU A 105 ? 0.1918 0.2750 0.1793 0.0091 0.0291 0.0216 95 LEU A N -1815 C CA . LEU A 105 ? 0.1995 0.2792 0.1837 0.0035 0.0304 0.0275 95 LEU A CA -1816 C C . LEU A 105 ? 0.1965 0.2603 0.1745 0.0048 0.0272 0.0262 95 LEU A C -1817 O O . LEU A 105 ? 0.2117 0.2751 0.1832 0.0055 0.0280 0.0288 95 LEU A O -1818 C CB . LEU A 105 ? 0.2240 0.3033 0.2151 -0.0056 0.0310 0.0325 95 LEU A CB -1819 C CG . LEU A 105 ? 0.2591 0.3370 0.2477 -0.0118 0.0336 0.0398 95 LEU A CG -1820 C CD1 . LEU A 105 ? 0.2826 0.3780 0.2693 -0.0109 0.0385 0.0436 95 LEU A CD1 -1821 C CD2 . LEU A 105 ? 0.3401 0.4141 0.3357 -0.0211 0.0333 0.0428 95 LEU A CD2 -1833 N N . ALA A 106 ? 0.1850 0.2370 0.1648 0.0054 0.0234 0.0223 96 ALA A N -1834 C CA . ALA A 106 ? 0.1979 0.2375 0.1728 0.0068 0.0204 0.0207 96 ALA A CA -1835 C C . ALA A 106 ? 0.2040 0.2459 0.1718 0.0130 0.0198 0.0167 96 ALA A C -1836 O O . ALA A 106 ? 0.2104 0.2489 0.1726 0.0134 0.0187 0.0178 96 ALA A O -1837 C CB . ALA A 106 ? 0.1855 0.2144 0.1640 0.0066 0.0169 0.0171 96 ALA A CB -1843 N N . VAL A 107 ? 0.2034 0.2511 0.1709 0.0181 0.0204 0.0116 97 VAL A N -1844 C CA . VAL A 107 ? 0.2105 0.2599 0.1703 0.0242 0.0200 0.0066 97 VAL A CA -1845 C C . VAL A 107 ? 0.2238 0.2836 0.1778 0.0244 0.0230 0.0105 97 VAL A C -1846 O O . VAL A 107 ? 0.2344 0.2925 0.1809 0.0265 0.0215 0.0088 97 VAL A O -1847 C CB . VAL A 107 ? 0.2105 0.2632 0.1714 0.0302 0.0206 0.0009 97 VAL A CB -1848 C CG1 . VAL A 107 ? 0.2593 0.3142 0.2117 0.0368 0.0208 -0.0052 97 VAL A CG1 -1849 C CG2 . VAL A 107 ? 0.2312 0.2718 0.1963 0.0302 0.0173 -0.0023 97 VAL A CG2 -1859 N N . GLN A 108 ? 0.2219 0.2930 0.1793 0.0217 0.0271 0.0161 98 GLN A N -1860 C CA . GLN A 108 ? 0.2261 0.3080 0.1779 0.0213 0.0307 0.0211 98 GLN A CA -1861 C C . GLN A 108 ? 0.2277 0.3012 0.1758 0.0174 0.0291 0.0267 98 GLN A C -1862 O O . GLN A 108 ? 0.2585 0.3372 0.1986 0.0191 0.0302 0.0293 98 GLN A O -1863 C CB . GLN A 108 ? 0.2241 0.3198 0.1819 0.0180 0.0355 0.0263 98 GLN A CB -1864 C CG . GLN A 108 ? 0.2306 0.3386 0.1900 0.0246 0.0375 0.0208 98 GLN A CG -1865 C CD . GLN A 108 ? 0.2766 0.4011 0.2440 0.0217 0.0419 0.0250 98 GLN A CD -1866 O OE1 . GLN A 108 ? 0.2952 0.4204 0.2682 0.0133 0.0430 0.0317 98 GLN A OE1 -1867 N NE2 . GLN A 108 ? 0.2576 0.3957 0.2257 0.0288 0.0444 0.0208 98 GLN A NE2 -1876 N N . PHE A 109 ? 0.2372 0.2993 0.1907 0.0124 0.0269 0.0293 99 PHE A N -1877 C CA . PHE A 109 ? 0.2417 0.2943 0.1921 0.0100 0.0251 0.0340 99 PHE A CA -1878 C C . PHE A 109 ? 0.2646 0.3111 0.2101 0.0142 0.0206 0.0290 99 PHE A C -1879 O O . PHE A 109 ? 0.3010 0.3420 0.2435 0.0137 0.0188 0.0327 99 PHE A O -1880 C CB . PHE A 109 ? 0.2329 0.2747 0.1906 0.0042 0.0242 0.0371 99 PHE A CB -1881 C CG . PHE A 109 ? 0.2586 0.3026 0.2191 -0.0021 0.0279 0.0448 99 PHE A CG -1882 C CD1 . PHE A 109 ? 0.3282 0.3820 0.2944 -0.0053 0.0309 0.0453 99 PHE A CD1 -1883 C CD2 . PHE A 109 ? 0.3293 0.3648 0.2870 -0.0051 0.0282 0.0519 99 PHE A CD2 -1884 C CE1 . PHE A 109 ? 0.3367 0.3924 0.3062 -0.0127 0.0342 0.0524 99 PHE A CE1 -1885 C CE2 . PHE A 109 ? 0.3806 0.4155 0.3408 -0.0119 0.0316 0.0592 99 PHE A CE2 -1886 C CZ . PHE A 109 ? 0.2997 0.3449 0.2660 -0.0163 0.0345 0.0593 99 PHE A CZ -1896 N N . GLY A 110 ? 0.2578 0.3047 0.2025 0.0183 0.0187 0.0207 100 GLY A N -1897 C CA . GLY A 110 ? 0.2653 0.3078 0.2050 0.0214 0.0145 0.0152 100 GLY A CA -1898 C C . GLY A 110 ? 0.2629 0.2944 0.2074 0.0206 0.0106 0.0101 100 GLY A C -1899 O O . GLY A 110 ? 0.2870 0.3152 0.2284 0.0219 0.0069 0.0059 100 GLY A O -1903 N N . ALA A 111 ? 0.2557 0.2819 0.2080 0.0179 0.0112 0.0106 101 ALA A N -1904 C CA . ALA A 111 ? 0.2397 0.2562 0.1960 0.0173 0.0080 0.0062 101 ALA A CA -1905 C C . ALA A 111 ? 0.2167 0.2323 0.1702 0.0212 0.0068 -0.0014 101 ALA A C -1906 O O . ALA A 111 ? 0.2583 0.2792 0.2112 0.0242 0.0092 -0.0032 101 ALA A O -1907 C CB . ALA A 111 ? 0.2758 0.2888 0.2396 0.0142 0.0092 0.0085 101 ALA A CB -1913 N N . LYS A 112 ? 0.2151 0.2236 0.1678 0.0209 0.0031 -0.0058 102 LYS A N -1914 C CA . LYS A 112 ? 0.2209 0.2249 0.1704 0.0238 0.0015 -0.0134 102 LYS A CA -1915 C C . LYS A 112 ? 0.2057 0.1996 0.1605 0.0228 0.0004 -0.0155 102 LYS A C -1916 O O . LYS A 112 ? 0.2186 0.2064 0.1709 0.0254 -0.0006 -0.0213 102 LYS A O -1917 C CB . LYS A 112 ? 0.2444 0.2478 0.1882 0.0238 -0.0021 -0.0179 102 LYS A CB -1918 C CG . LYS A 112 ? 0.2973 0.3121 0.2337 0.0263 -0.0007 -0.0161 102 LYS A CG -1919 C CD . LYS A 112 ? 0.3964 0.4123 0.3253 0.0273 -0.0045 -0.0223 102 LYS A CD -1920 C CE . LYS A 112 ? 0.4846 0.5127 0.4044 0.0310 -0.0027 -0.0213 102 LYS A CE -1921 N NZ . LYS A 112 ? 1.1172 1.1523 1.0382 0.0297 -0.0006 -0.0116 102 LYS A NZ -1935 N N . THR A 113 ? 0.1928 0.1844 0.1539 0.0193 0.0007 -0.0107 103 THR A N -1936 C CA . THR A 113 ? 0.1836 0.1678 0.1496 0.0184 0.0003 -0.0110 103 THR A CA -1937 C C . THR A 113 ? 0.1757 0.1643 0.1466 0.0169 0.0027 -0.0057 103 THR A C -1938 O O . THR A 113 ? 0.1865 0.1785 0.1586 0.0142 0.0035 -0.0015 103 THR A O -1939 C CB . THR A 113 ? 0.1840 0.1609 0.1526 0.0144 -0.0024 -0.0112 103 THR A CB -1940 O OG1 . THR A 113 ? 0.2077 0.1807 0.1725 0.0143 -0.0052 -0.0164 103 THR A OG1 -1941 C CG2 . THR A 113 ? 0.2060 0.1758 0.1789 0.0134 -0.0025 -0.0106 103 THR A CG2 -1949 N N . ILE A 114 ? 0.1785 0.1666 0.1521 0.0187 0.0037 -0.0061 104 ILE A N -1950 C CA . ILE A 114 ? 0.1823 0.1738 0.1610 0.0166 0.0050 -0.0022 104 ILE A CA -1951 C C . ILE A 114 ? 0.1739 0.1570 0.1553 0.0151 0.0033 -0.0022 104 ILE A C -1952 O O . ILE A 114 ? 0.1847 0.1617 0.1650 0.0178 0.0022 -0.0050 104 ILE A O -1953 C CB . ILE A 114 ? 0.1864 0.1868 0.1665 0.0201 0.0072 -0.0021 104 ILE A CB -1954 C CG1 . ILE A 114 ? 0.2172 0.2273 0.1941 0.0219 0.0095 -0.0019 104 ILE A CG1 -1955 C CG2 . ILE A 114 ? 0.1986 0.2036 0.1845 0.0170 0.0079 0.0015 104 ILE A CG2 -1956 C CD1 . ILE A 114 ? 0.2030 0.2175 0.1805 0.0171 0.0109 0.0030 104 ILE A CD1 -1968 N N . VAL A 115 ? 0.1727 0.1552 0.1573 0.0110 0.0032 0.0008 105 VAL A N -1969 C CA . VAL A 115 ? 0.1745 0.1510 0.1614 0.0093 0.0021 0.0014 105 VAL A CA -1970 C C . VAL A 115 ? 0.1748 0.1564 0.1647 0.0088 0.0029 0.0033 105 VAL A C -1971 O O . VAL A 115 ? 0.1931 0.1797 0.1846 0.0060 0.0040 0.0053 105 VAL A O -1972 C CB . VAL A 115 ? 0.1645 0.1374 0.1521 0.0058 0.0014 0.0028 105 VAL A CB -1973 C CG1 . VAL A 115 ? 0.1958 0.1639 0.1852 0.0044 0.0007 0.0033 105 VAL A CG1 -1974 C CG2 . VAL A 115 ? 0.1935 0.1644 0.1788 0.0059 0.0002 0.0011 105 VAL A CG2 -1984 N N . LEU A 116 ? 0.1678 0.1483 0.1583 0.0113 0.0023 0.0029 106 LEU A N -1985 C CA . LEU A 116 ? 0.1668 0.1534 0.1602 0.0108 0.0023 0.0045 106 LEU A CA -1986 C C . LEU A 116 ? 0.1716 0.1524 0.1650 0.0083 0.0012 0.0055 106 LEU A C -1987 O O . LEU A 116 ? 0.1769 0.1508 0.1686 0.0101 0.0004 0.0053 106 LEU A O -1988 C CB . LEU A 116 ? 0.1746 0.1656 0.1684 0.0163 0.0023 0.0040 106 LEU A CB -1989 C CG . LEU A 116 ? 0.1848 0.1825 0.1781 0.0200 0.0038 0.0025 106 LEU A CG -1990 C CD1 . LEU A 116 ? 0.2262 0.2275 0.2199 0.0269 0.0037 0.0018 106 LEU A CD1 -1991 C CD2 . LEU A 116 ? 0.2019 0.2105 0.1981 0.0162 0.0055 0.0042 106 LEU A CD2 -2003 N N . GLN A 117 ? 0.1621 0.1448 0.1568 0.0042 0.0014 0.0064 107 GLN A N -2004 C CA . GLN A 117 ? 0.1693 0.1478 0.1634 0.0022 0.0007 0.0069 107 GLN A CA -2005 C C . GLN A 117 ? 0.1640 0.1490 0.1595 0.0005 0.0002 0.0071 107 GLN A C -2006 O O . GLN A 117 ? 0.1716 0.1629 0.1692 -0.0017 0.0006 0.0070 107 GLN A O -2007 C CB . GLN A 117 ? 0.1693 0.1429 0.1629 -0.0005 0.0013 0.0067 107 GLN A CB -2008 C CG . GLN A 117 ? 0.1814 0.1512 0.1740 -0.0015 0.0011 0.0069 107 GLN A CG -2009 C CD . GLN A 117 ? 0.2000 0.1662 0.1925 -0.0030 0.0019 0.0067 107 GLN A CD -2010 O OE1 . GLN A 117 ? 0.2214 0.1872 0.2138 -0.0048 0.0024 0.0063 107 GLN A OE1 -2011 N NE2 . GLN A 117 ? 0.1916 0.1552 0.1843 -0.0024 0.0019 0.0069 107 GLN A NE2 -2020 N N . SER A 118 ? 0.1679 0.1520 0.1619 0.0009 -0.0008 0.0075 108 SER A N -2021 C CA . SER A 118 ? 0.1771 0.1680 0.1717 -0.0009 -0.0019 0.0072 108 SER A CA -2022 C C . SER A 118 ? 0.1763 0.1639 0.1676 -0.0012 -0.0025 0.0073 108 SER A C -2023 O O . SER A 118 ? 0.1795 0.1609 0.1688 0.0004 -0.0019 0.0086 108 SER A O -2024 C CB . SER A 118 ? 0.1781 0.1782 0.1745 0.0025 -0.0031 0.0081 108 SER A CB -2025 O OG . SER A 118 ? 0.1901 0.1867 0.1844 0.0076 -0.0036 0.0098 108 SER A OG -2031 N N . GLY A 119 ? 0.1743 0.1672 0.1649 -0.0036 -0.0037 0.0060 109 GLY A N -2032 C CA . GLY A 119 ? 0.1723 0.1660 0.1591 -0.0025 -0.0047 0.0066 109 GLY A CA -2033 C C . GLY A 119 ? 0.1837 0.1801 0.1698 0.0025 -0.0057 0.0099 109 GLY A C -2034 O O . GLY A 119 ? 0.1725 0.1718 0.1615 0.0054 -0.0059 0.0108 109 GLY A O -2038 N N . GLU A 120 ? 0.1816 0.1772 0.1635 0.0042 -0.0061 0.0120 110 GLU A N -2039 C CA . GLU A 120 ? 0.1779 0.1748 0.1583 0.0094 -0.0072 0.0159 110 GLU A CA -2040 C C . GLU A 120 ? 0.1899 0.1999 0.1715 0.0108 -0.0099 0.0155 110 GLU A C -2041 O O . GLU A 120 ? 0.1970 0.2132 0.1751 0.0106 -0.0116 0.0158 110 GLU A O -2042 C CB . GLU A 120 ? 0.1912 0.1831 0.1662 0.0103 -0.0064 0.0191 110 GLU A CB -2043 C CG . GLU A 120 ? 0.2037 0.1848 0.1787 0.0090 -0.0039 0.0202 110 GLU A CG -2044 C CD . GLU A 120 ? 0.2020 0.1782 0.1725 0.0102 -0.0029 0.0251 110 GLU A CD -2045 O OE1 . GLU A 120 ? 0.2146 0.1953 0.1813 0.0131 -0.0043 0.0282 110 GLU A OE1 -2046 O OE2 . GLU A 120 ? 0.2172 0.1863 0.1883 0.0079 -0.0009 0.0259 110 GLU A OE2 -2053 N N . ASP A 121 ? 0.1848 0.2004 0.1713 0.0123 -0.0103 0.0148 111 ASP A N -2054 C CA . ASP A 121 ? 0.1798 0.2105 0.1697 0.0125 -0.0128 0.0139 111 ASP A CA -2055 C C . ASP A 121 ? 0.2002 0.2358 0.1907 0.0206 -0.0139 0.0176 111 ASP A C -2056 O O . ASP A 121 ? 0.1910 0.2242 0.1842 0.0245 -0.0126 0.0180 111 ASP A O -2057 C CB . ASP A 121 ? 0.1770 0.2125 0.1726 0.0081 -0.0119 0.0109 111 ASP A CB -2058 C CG . ASP A 121 ? 0.1916 0.2445 0.1920 0.0072 -0.0143 0.0101 111 ASP A CG -2059 O OD1 . ASP A 121 ? 0.1847 0.2473 0.1843 0.0113 -0.0169 0.0119 111 ASP A OD1 -2060 O OD2 . ASP A 121 ? 0.1773 0.2357 0.1825 0.0022 -0.0136 0.0080 111 ASP A OD2 -2065 N N . PRO A 122 ? 0.1898 0.2316 0.1770 0.0243 -0.0164 0.0204 112 PRO A N -2066 C CA . PRO A 122 ? 0.1962 0.2404 0.1831 0.0334 -0.0174 0.0247 112 PRO A CA -2067 C C . PRO A 122 ? 0.2006 0.2580 0.1944 0.0370 -0.0181 0.0238 112 PRO A C -2068 O O . PRO A 122 ? 0.2053 0.2624 0.1993 0.0456 -0.0182 0.0266 112 PRO A O -2069 C CB . PRO A 122 ? 0.2090 0.2603 0.1909 0.0352 -0.0203 0.0277 112 PRO A CB -2070 C CG . PRO A 122 ? 0.2653 0.3107 0.2428 0.0281 -0.0194 0.0255 112 PRO A CG -2071 C CD . PRO A 122 ? 0.2041 0.2493 0.1866 0.0208 -0.0180 0.0198 112 PRO A CD -2079 N N . TYR A 123 ? 0.1822 0.2521 0.1817 0.0310 -0.0186 0.0200 113 TYR A N -2080 C CA . TYR A 123 ? 0.1892 0.2746 0.1960 0.0342 -0.0188 0.0196 113 TYR A CA -2081 C C . TYR A 123 ? 0.1748 0.2521 0.1824 0.0410 -0.0160 0.0204 113 TYR A C -2082 O O . TYR A 123 ? 0.1924 0.2793 0.2032 0.0489 -0.0163 0.0217 113 TYR A O -2083 C CB . TYR A 123 ? 0.1780 0.2743 0.1910 0.0248 -0.0186 0.0156 113 TYR A CB -2084 C CG . TYR A 123 ? 0.1795 0.2929 0.2004 0.0275 -0.0181 0.0157 113 TYR A CG -2085 C CD1 . TYR A 123 ? 0.2028 0.3381 0.2288 0.0299 -0.0212 0.0166 113 TYR A CD1 -2086 C CD2 . TYR A 123 ? 0.1830 0.2920 0.2062 0.0286 -0.0145 0.0150 113 TYR A CD2 -2087 C CE1 . TYR A 123 ? 0.2291 0.3823 0.2633 0.0331 -0.0204 0.0169 113 TYR A CE1 -2088 C CE2 . TYR A 123 ? 0.2082 0.3342 0.2385 0.0318 -0.0135 0.0151 113 TYR A CE2 -2089 C CZ . TYR A 123 ? 0.2017 0.3494 0.2376 0.0341 -0.0162 0.0162 113 TYR A CZ -2090 O OH . TYR A 123 ? 0.2547 0.4223 0.2985 0.0378 -0.0151 0.0166 113 TYR A OH -2100 N N . TYR A 124 ? 0.1773 0.2378 0.1821 0.0378 -0.0133 0.0189 114 TYR A N -2101 C CA . TYR A 124 ? 0.1865 0.2404 0.1920 0.0422 -0.0106 0.0179 114 TYR A CA -2102 C C . TYR A 124 ? 0.2090 0.2479 0.2092 0.0505 -0.0103 0.0202 114 TYR A C -2103 O O . TYR A 124 ? 0.2149 0.2475 0.2147 0.0555 -0.0085 0.0188 114 TYR A O -2104 C CB . TYR A 124 ? 0.1815 0.2252 0.1863 0.0348 -0.0082 0.0150 114 TYR A CB -2105 C CG . TYR A 124 ? 0.1595 0.2147 0.1693 0.0268 -0.0078 0.0130 114 TYR A CG -2106 C CD1 . TYR A 124 ? 0.1740 0.2293 0.1832 0.0191 -0.0090 0.0122 114 TYR A CD1 -2107 C CD2 . TYR A 124 ? 0.1772 0.2412 0.1915 0.0266 -0.0057 0.0119 114 TYR A CD2 -2108 C CE1 . TYR A 124 ? 0.1666 0.2295 0.1798 0.0114 -0.0087 0.0104 114 TYR A CE1 -2109 C CE2 . TYR A 124 ? 0.1727 0.2454 0.1912 0.0184 -0.0051 0.0108 114 TYR A CE2 -2110 C CZ . TYR A 124 ? 0.1669 0.2381 0.1848 0.0106 -0.0067 0.0101 114 TYR A CZ -2111 O OH . TYR A 124 ? 0.1848 0.2613 0.2063 0.0019 -0.0061 0.0090 114 TYR A OH -2121 N N . MET A 125 ? 0.2224 0.2545 0.2178 0.0518 -0.0120 0.0235 115 MET A N -2122 C CA . MET A 125 ? 0.2338 0.2456 0.2231 0.0553 -0.0111 0.0257 115 MET A CA -2123 C C . MET A 125 ? 0.2691 0.2802 0.2562 0.0662 -0.0124 0.0297 115 MET A C -2124 O O . MET A 125 ? 0.2643 0.2863 0.2512 0.0687 -0.0149 0.0331 115 MET A O -2125 C CB . MET A 125 ? 0.2360 0.2385 0.2207 0.0491 -0.0113 0.0276 115 MET A CB -2126 C CG . MET A 125 ? 0.2148 0.2192 0.2013 0.0394 -0.0103 0.0241 115 MET A CG -2127 S SD . MET A 125 ? 0.2332 0.2306 0.2223 0.0363 -0.0077 0.0196 115 MET A SD -2128 C CE . MET A 125 ? 0.2323 0.2316 0.2222 0.0264 -0.0072 0.0174 115 MET A CE -2138 N N . PRO A 126 ? 0.2445 0.2425 0.2293 0.0734 -0.0112 0.0296 116 PRO A N -2139 C CA . PRO A 126 ? 0.2538 0.2394 0.2381 0.0714 -0.0088 0.0251 116 PRO A CA -2140 C C . PRO A 126 ? 0.2437 0.2404 0.2324 0.0757 -0.0075 0.0210 116 PRO A C -2141 O O . PRO A 126 ? 0.2323 0.2222 0.2205 0.0728 -0.0056 0.0168 116 PRO A O -2142 C CB . PRO A 126 ? 0.2768 0.2407 0.2546 0.0775 -0.0086 0.0275 116 PRO A CB -2143 C CG . PRO A 126 ? 0.2949 0.2649 0.2720 0.0879 -0.0104 0.0322 116 PRO A CG -2144 C CD . PRO A 126 ? 0.2710 0.2614 0.2516 0.0839 -0.0123 0.0344 116 PRO A CD -2152 N N . ASP A 127 ? 0.2380 0.2512 0.2306 0.0831 -0.0083 0.0221 117 ASP A N -2153 C CA . ASP A 127 ? 0.2449 0.2653 0.2401 0.0905 -0.0065 0.0189 117 ASP A CA -2154 C C . ASP A 127 ? 0.2283 0.2639 0.2292 0.0835 -0.0047 0.0152 117 ASP A C -2155 O O . ASP A 127 ? 0.2460 0.2821 0.2471 0.0865 -0.0023 0.0115 117 ASP A O -2156 C CB . ASP A 127 ? 0.2904 0.3257 0.2887 0.1019 -0.0079 0.0217 117 ASP A CB -2157 C CG . ASP A 127 ? 0.3401 0.3584 0.3319 0.1112 -0.0092 0.0258 117 ASP A CG -2158 O OD1 . ASP A 127 ? 0.3420 0.3356 0.3271 0.1110 -0.0083 0.0251 117 ASP A OD1 -2159 O OD2 . ASP A 127 ? 0.4183 0.4478 0.4116 0.1189 -0.0114 0.0302 117 ASP A OD2 -2164 N N . VAL A 128 ? 0.2224 0.2703 0.2274 0.0742 -0.0057 0.0161 118 VAL A N -2165 C CA . VAL A 128 ? 0.2125 0.2729 0.2225 0.0671 -0.0038 0.0134 118 VAL A CA -2166 C C . VAL A 128 ? 0.2195 0.2634 0.2252 0.0619 -0.0018 0.0105 118 VAL A C -2167 O O . VAL A 128 ? 0.2078 0.2559 0.2145 0.0617 0.0006 0.0078 118 VAL A O -2168 C CB . VAL A 128 ? 0.2205 0.2949 0.2353 0.0578 -0.0055 0.0146 118 VAL A CB -2169 C CG1 . VAL A 128 ? 0.2281 0.3153 0.2483 0.0510 -0.0034 0.0127 118 VAL A CG1 -2170 C CG2 . VAL A 128 ? 0.2405 0.3319 0.2591 0.0625 -0.0084 0.0174 118 VAL A CG2 -2180 N N . ILE A 129 ? 0.1941 0.2204 0.1948 0.0579 -0.0028 0.0112 119 ILE A N -2181 C CA . ILE A 129 ? 0.2036 0.2149 0.2004 0.0536 -0.0015 0.0085 119 ILE A CA -2182 C C . ILE A 129 ? 0.2023 0.2056 0.1957 0.0611 -0.0001 0.0054 119 ILE A C -2183 O O . ILE A 129 ? 0.2015 0.2046 0.1940 0.0593 0.0016 0.0022 119 ILE A O -2184 C CB . ILE A 129 ? 0.2096 0.2047 0.2022 0.0493 -0.0028 0.0102 119 ILE A CB -2185 C CG1 . ILE A 129 ? 0.2161 0.2179 0.2107 0.0421 -0.0039 0.0123 119 ILE A CG1 -2186 C CG2 . ILE A 129 ? 0.1993 0.1801 0.1884 0.0456 -0.0018 0.0074 119 ILE A CG2 -2187 C CD1 . ILE A 129 ? 0.2289 0.2391 0.2270 0.0347 -0.0029 0.0105 119 ILE A CD1 -2199 N N . SER A 130 ? 0.2107 0.2072 0.2014 0.0702 -0.0008 0.0063 120 SER A N -2200 C CA . SER A 130 ? 0.2079 0.1946 0.1944 0.0780 0.0004 0.0024 120 SER A CA -2201 C C . SER A 130 ? 0.2318 0.2352 0.2215 0.0815 0.0028 -0.0006 120 SER A C -2202 O O . SER A 130 ? 0.2465 0.2445 0.2326 0.0823 0.0045 -0.0051 120 SER A O -2203 C CB . SER A 130 ? 0.2505 0.2283 0.2341 0.0883 -0.0006 0.0043 120 SER A CB -2204 O OG . SER A 130 ? 0.2708 0.2310 0.2504 0.0844 -0.0023 0.0074 120 SER A OG -2210 N N . ASP A 131 ? 0.2215 0.2461 0.2177 0.0831 0.0031 0.0017 121 ASP A N -2211 C CA . ASP A 131 ? 0.2583 0.3013 0.2582 0.0862 0.0059 -0.0004 121 ASP A CA -2212 C C . ASP A 131 ? 0.2327 0.2785 0.2328 0.0766 0.0076 -0.0019 121 ASP A C -2213 O O . ASP A 131 ? 0.2391 0.2884 0.2372 0.0793 0.0103 -0.0052 121 ASP A O -2214 C CB . ASP A 131 ? 0.2983 0.3662 0.3068 0.0872 0.0055 0.0031 121 ASP A CB -2215 C CG . ASP A 131 ? 0.6675 0.7385 0.6769 0.0987 0.0039 0.0051 121 ASP A CG -2216 O OD1 . ASP A 131 ? 0.4129 0.4699 0.4167 0.1086 0.0044 0.0032 121 ASP A OD1 -2217 O OD2 . ASP A 131 ? 0.4908 0.5789 0.5064 0.0977 0.0021 0.0087 121 ASP A OD2 -2222 N N . ILE A 132 ? 0.1949 0.2395 0.1968 0.0661 0.0063 0.0005 122 ILE A N -2223 C CA . ILE A 132 ? 0.2136 0.2590 0.2153 0.0573 0.0078 -0.0002 122 ILE A CA -2224 C C . ILE A 132 ? 0.2065 0.2353 0.2009 0.0580 0.0082 -0.0039 122 ILE A C -2225 O O . ILE A 132 ? 0.2119 0.2447 0.2045 0.0569 0.0103 -0.0058 122 ILE A O -2226 C CB . ILE A 132 ? 0.2019 0.2460 0.2061 0.0472 0.0060 0.0027 122 ILE A CB -2227 C CG1 . ILE A 132 ? 0.2129 0.2762 0.2244 0.0450 0.0057 0.0054 122 ILE A CG1 -2228 C CG2 . ILE A 132 ? 0.2042 0.2445 0.2067 0.0393 0.0072 0.0023 122 ILE A CG2 -2229 C CD1 . ILE A 132 ? 0.2189 0.2792 0.2317 0.0370 0.0031 0.0075 122 ILE A CD1 -2241 N N . VAL A 133 ? 0.2019 0.2123 0.1920 0.0588 0.0060 -0.0047 123 VAL A N -2242 C CA . VAL A 133 ? 0.2138 0.2082 0.1974 0.0585 0.0058 -0.0087 123 VAL A CA -2243 C C . VAL A 133 ? 0.2336 0.2293 0.2133 0.0669 0.0076 -0.0134 123 VAL A C -2244 O O . VAL A 133 ? 0.2324 0.2262 0.2079 0.0652 0.0084 -0.0169 123 VAL A O -2245 C CB . VAL A 133 ? 0.2276 0.2031 0.2081 0.0580 0.0033 -0.0082 123 VAL A CB -2246 C CG1 . VAL A 133 ? 0.2355 0.1952 0.2097 0.0581 0.0028 -0.0130 123 VAL A CG1 -2247 C CG2 . VAL A 133 ? 0.2211 0.1954 0.2043 0.0495 0.0020 -0.0043 123 VAL A CG2 -2257 N N . LYS A 134 ? 0.2257 0.2252 0.2060 0.0764 0.0082 -0.0138 124 LYS A N -2258 C CA . LYS A 134 ? 0.2427 0.2436 0.2188 0.0858 0.0103 -0.0190 124 LYS A CA -2259 C C . LYS A 134 ? 0.2378 0.2576 0.2157 0.0840 0.0134 -0.0196 124 LYS A C -2260 O O . LYS A 134 ? 0.2584 0.2761 0.2302 0.0866 0.0148 -0.0246 124 LYS A O -2261 C CB . LYS A 134 ? 0.2720 0.2770 0.2500 0.0971 0.0106 -0.0182 124 LYS A CB -2262 C CG . LYS A 134 ? 0.3252 0.3073 0.2984 0.1017 0.0082 -0.0187 124 LYS A CG -2263 C CD . LYS A 134 ? 0.4381 0.4244 0.4129 0.1142 0.0084 -0.0170 124 LYS A CD -2264 C CE . LYS A 134 ? 0.6911 0.6534 0.6613 0.1171 0.0058 -0.0152 124 LYS A CE -2265 N NZ . LYS A 134 ? 0.8757 0.8425 0.8478 0.1290 0.0054 -0.0117 124 LYS A NZ -2279 N N . GLU A 135 ? 0.2296 0.2675 0.2150 0.0790 0.0143 -0.0146 125 GLU A N -2280 C CA . GLU A 135 ? 0.2360 0.2919 0.2232 0.0764 0.0176 -0.0140 125 GLU A CA -2281 C C . GLU A 135 ? 0.2079 0.2560 0.1904 0.0685 0.0174 -0.0148 125 GLU A C -2282 O O . GLU A 135 ? 0.2304 0.2851 0.2090 0.0698 0.0199 -0.0169 125 GLU A O -2283 C CB . GLU A 135 ? 0.2480 0.3237 0.2447 0.0712 0.0185 -0.0084 125 GLU A CB -2284 C CG . GLU A 135 ? 0.2643 0.3547 0.2666 0.0797 0.0191 -0.0076 125 GLU A CG -2285 C CD . GLU A 135 ? 0.5536 0.6534 0.5533 0.0901 0.0227 -0.0115 125 GLU A CD -2286 O OE1 . GLU A 135 ? 0.3632 0.4753 0.3627 0.0874 0.0260 -0.0114 125 GLU A OE1 -2287 O OE2 . GLU A 135 ? 0.4367 0.5295 0.4332 0.1011 0.0223 -0.0147 125 GLU A OE2 -2294 N N . ILE A 136 ? 0.2078 0.2432 0.1902 0.0607 0.0146 -0.0130 126 ILE A N -2295 C CA . ILE A 136 ? 0.2102 0.2401 0.1888 0.0539 0.0143 -0.0131 126 ILE A CA -2296 C C . ILE A 136 ? 0.2128 0.2302 0.1830 0.0579 0.0134 -0.0193 126 ILE A C -2297 O O . ILE A 136 ? 0.2202 0.2401 0.1857 0.0563 0.0142 -0.0209 126 ILE A O -2298 C CB . ILE A 136 ? 0.2099 0.2318 0.1915 0.0452 0.0118 -0.0095 126 ILE A CB -2299 C CG1 . ILE A 136 ? 0.2090 0.2440 0.1980 0.0408 0.0128 -0.0045 126 ILE A CG1 -2300 C CG2 . ILE A 136 ? 0.2144 0.2304 0.1920 0.0398 0.0112 -0.0099 126 ILE A CG2 -2301 C CD1 . ILE A 136 ? 0.2052 0.2324 0.1968 0.0334 0.0104 -0.0016 126 ILE A CD1 -2313 N N . LYS A 137 ? 0.2240 0.2280 0.1914 0.0633 0.0116 -0.0230 127 LYS A N -2314 C CA . LYS A 137 ? 0.2318 0.2225 0.1909 0.0664 0.0105 -0.0297 127 LYS A CA -2315 C C . LYS A 137 ? 0.2394 0.2401 0.1935 0.0737 0.0134 -0.0342 127 LYS A C -2316 O O . LYS A 137 ? 0.2633 0.2583 0.2099 0.0736 0.0127 -0.0395 127 LYS A O -2317 C CB . LYS A 137 ? 0.2495 0.2219 0.2066 0.0706 0.0082 -0.0323 127 LYS A CB -2318 C CG . LYS A 137 ? 0.2468 0.2065 0.2065 0.0624 0.0052 -0.0289 127 LYS A CG -2319 C CD . LYS A 137 ? 0.2715 0.2249 0.2282 0.0546 0.0032 -0.0308 127 LYS A CD -2320 C CE . LYS A 137 ? 0.3018 0.2411 0.2510 0.0574 0.0017 -0.0383 127 LYS A CE -2321 N NZ . LYS A 137 ? 0.3130 0.2494 0.2598 0.0499 -0.0006 -0.0404 127 LYS A NZ -2335 N N . LYS A 138 ? 0.2253 0.2427 0.1833 0.0791 0.0167 -0.0322 128 LYS A N -2336 C CA . LYS A 138 ? 0.2306 0.2611 0.1842 0.0858 0.0203 -0.0358 128 LYS A CA -2337 C C . LYS A 138 ? 0.2255 0.2660 0.1767 0.0793 0.0217 -0.0339 128 LYS A C -2338 O O . LYS A 138 ? 0.2336 0.2823 0.1784 0.0840 0.0242 -0.0376 128 LYS A O -2339 C CB . LYS A 138 ? 0.2439 0.2938 0.2044 0.0922 0.0237 -0.0328 128 LYS A CB -2340 C CG . LYS A 138 ? 0.2581 0.2998 0.2199 0.1013 0.0226 -0.0347 128 LYS A CG -2341 C CD . LYS A 138 ? 0.3011 0.3650 0.2706 0.1077 0.0257 -0.0315 128 LYS A CD -2342 C CE . LYS A 138 ? 0.3654 0.4210 0.3364 0.1172 0.0241 -0.0323 128 LYS A CE -2343 N NZ . LYS A 138 ? 0.4802 0.5598 0.4603 0.1226 0.0264 -0.0282 128 LYS A NZ -2357 N N . MET A 139 ? 0.2291 0.2691 0.1842 0.0694 0.0202 -0.0283 129 MET A N -2358 C CA . MET A 139 ? 0.2273 0.2758 0.1803 0.0634 0.0214 -0.0250 129 MET A CA -2359 C C . MET A 139 ? 0.2666 0.3030 0.2112 0.0616 0.0185 -0.0296 129 MET A C -2360 O O . MET A 139 ? 0.2890 0.3316 0.2306 0.0575 0.0190 -0.0269 129 MET A O -2361 C CB . MET A 139 ? 0.2306 0.2825 0.1915 0.0543 0.0211 -0.0171 129 MET A CB -2362 C CG . MET A 139 ? 0.2237 0.2887 0.1935 0.0545 0.0234 -0.0128 129 MET A CG -2363 S SD . MET A 139 ? 0.2263 0.2911 0.2040 0.0433 0.0222 -0.0052 129 MET A SD -2364 C CE . MET A 139 ? 0.2583 0.3386 0.2455 0.0456 0.0239 -0.0029 129 MET A CE -2374 N N . GLY A 140 ? 0.2102 0.2586 0.1718 0.0556 0.0151 -0.0131 130 GLY A N -2375 C CA . GLY A 140 ? 0.2399 0.2869 0.1936 0.0539 0.0131 -0.0174 130 GLY A CA -2376 C C . GLY A 140 ? 0.2389 0.2832 0.1949 0.0474 0.0106 -0.0150 130 GLY A C -2377 O O . GLY A 140 ? 0.2563 0.3073 0.2076 0.0460 0.0092 -0.0165 130 GLY A O -2381 N N . VAL A 141 ? 0.2071 0.2435 0.1698 0.0437 0.0098 -0.0117 131 VAL A N -2382 C CA . VAL A 141 ? 0.2053 0.2393 0.1709 0.0385 0.0080 -0.0085 131 VAL A CA -2383 C C . VAL A 141 ? 0.1994 0.2191 0.1650 0.0345 0.0051 -0.0125 131 VAL A C -2384 O O . VAL A 141 ? 0.2277 0.2381 0.1918 0.0365 0.0050 -0.0158 131 VAL A O -2385 C CB . VAL A 141 ? 0.2060 0.2434 0.1790 0.0375 0.0111 0.0001 131 VAL A CB -2386 C CG1 . VAL A 141 ? 0.2394 0.2892 0.2109 0.0411 0.0151 0.0052 131 VAL A CG1 -2387 C CG2 . VAL A 141 ? 0.2303 0.2628 0.2094 0.0366 0.0120 0.0007 131 VAL A CG2 -2397 N N . ALA A 142 ? 0.1888 0.2075 0.1558 0.0299 0.0032 -0.0112 132 ALA A N -2398 C CA . ALA A 142 ? 0.1923 0.1984 0.1601 0.0255 0.0012 -0.0131 132 ALA A CA -2399 C C . ALA A 142 ? 0.1901 0.1926 0.1649 0.0255 0.0022 -0.0078 132 ALA A C -2400 O O . ALA A 142 ? 0.1811 0.1902 0.1604 0.0263 0.0044 -0.0025 132 ALA A O -2401 C CB . ALA A 142 ? 0.1992 0.2094 0.1666 0.0204 -0.0009 -0.0137 132 ALA A CB -2407 N N . VAL A 143 ? 0.1904 0.1816 0.1651 0.0243 0.0010 -0.0095 133 VAL A N -2408 C CA . VAL A 143 ? 0.1868 0.1758 0.1671 0.0237 0.0012 -0.0058 133 VAL A CA -2409 C C . VAL A 143 ? 0.1952 0.1763 0.1753 0.0193 -0.0005 -0.0057 133 VAL A C -2410 O O . VAL A 143 ? 0.2030 0.1745 0.1782 0.0180 -0.0015 -0.0091 133 VAL A O -2411 C CB . VAL A 143 ? 0.1999 0.1871 0.1804 0.0282 0.0016 -0.0067 133 VAL A CB -2412 C CG1 . VAL A 143 ? 0.2191 0.2059 0.2045 0.0268 0.0010 -0.0041 133 VAL A CG1 -2413 C CG2 . VAL A 143 ? 0.2157 0.2146 0.1983 0.0320 0.0038 -0.0059 133 VAL A CG2 -2423 N N . THR A 144 ? 0.1717 0.1553 0.1564 0.0171 -0.0000 -0.0018 134 THR A N -2424 C CA . THR A 144 ? 0.1730 0.1512 0.1584 0.0138 -0.0011 -0.0008 134 THR A CA -2425 C C . THR A 144 ? 0.1784 0.1546 0.1670 0.0141 -0.0007 0.0008 134 THR A C -2426 O O . THR A 144 ? 0.1898 0.1712 0.1822 0.0142 0.0011 0.0025 134 THR A O -2427 C CB . THR A 144 ? 0.1752 0.1591 0.1622 0.0121 -0.0004 0.0021 134 THR A CB -2428 O OG1 . THR A 144 ? 0.1914 0.1815 0.1752 0.0115 -0.0014 -0.0002 134 THR A OG1 -2429 C CG2 . THR A 144 ? 0.1874 0.1675 0.1752 0.0092 -0.0010 0.0033 134 THR A CG2 -2437 N N . LEU A 145 ? 0.1839 0.1532 0.1707 0.0138 -0.0021 0.0002 135 LEU A N -2438 C CA . LEU A 145 ? 0.1715 0.1415 0.1606 0.0141 -0.0024 0.0014 135 LEU A CA -2439 C C . LEU A 145 ? 0.1752 0.1426 0.1648 0.0106 -0.0023 0.0029 135 LEU A C -2440 O O . LEU A 145 ? 0.1806 0.1440 0.1679 0.0087 -0.0027 0.0032 135 LEU A O -2441 C CB . LEU A 145 ? 0.1923 0.1580 0.1778 0.0183 -0.0035 0.0008 135 LEU A CB -2442 C CG . LEU A 145 ? 0.1907 0.1593 0.1749 0.0238 -0.0030 -0.0006 135 LEU A CG -2443 C CD1 . LEU A 145 ? 0.2166 0.1795 0.1957 0.0302 -0.0033 0.0001 135 LEU A CD1 -2444 C CD2 . LEU A 145 ? 0.1990 0.1815 0.1895 0.0237 -0.0024 -0.0005 135 LEU A CD2 -2456 N N . SER A 146 ? 0.1679 0.1383 0.1603 0.0094 -0.0016 0.0034 136 SER A N -2457 C CA . SER A 146 ? 0.1753 0.1431 0.1673 0.0072 -0.0010 0.0044 136 SER A CA -2458 C C . SER A 146 ? 0.1671 0.1380 0.1599 0.0065 -0.0014 0.0029 136 SER A C -2459 O O . SER A 146 ? 0.1678 0.1405 0.1626 0.0037 0.0006 0.0015 136 SER A O -2460 C CB . SER A 146 ? 0.1724 0.1404 0.1657 0.0061 0.0019 0.0060 136 SER A CB -2461 O OG . SER A 146 ? 0.1794 0.1449 0.1717 0.0054 0.0031 0.0073 136 SER A OG -2467 N N . LEU A 147 ? 0.1680 0.1395 0.1584 0.0092 -0.0037 0.0030 137 LEU A N -2468 C CA . LEU A 147 ? 0.1712 0.1508 0.1620 0.0100 -0.0050 0.0014 137 LEU A CA -2469 C C . LEU A 147 ? 0.1788 0.1568 0.1658 0.0107 -0.0059 0.0025 137 LEU A C -2470 O O . LEU A 147 ? 0.1873 0.1744 0.1739 0.0119 -0.0074 0.0011 137 LEU A O -2471 C CB . LEU A 147 ? 0.1731 0.1589 0.1636 0.0156 -0.0066 0.0016 137 LEU A CB -2472 C CG . LEU A 147 ? 0.1609 0.1484 0.1541 0.0164 -0.0055 0.0009 137 LEU A CG -2473 C CD1 . LEU A 147 ? 0.1860 0.1796 0.1778 0.0235 -0.0066 0.0014 137 LEU A CD1 -2474 C CD2 . LEU A 147 ? 0.1973 0.1914 0.1960 0.0106 -0.0035 -0.0012 137 LEU A CD2 -2486 N N . GLY A 148 ? 0.1813 0.1508 0.1657 0.0099 -0.0050 0.0048 138 GLY A N -2487 C CA . GLY A 148 ? 0.1822 0.1506 0.1626 0.0106 -0.0053 0.0065 138 GLY A CA -2488 C C . GLY A 148 ? 0.1885 0.1512 0.1636 0.0148 -0.0057 0.0102 138 GLY A C -2489 O O . GLY A 148 ? 0.1991 0.1543 0.1729 0.0160 -0.0051 0.0113 138 GLY A O -2493 N N . GLU A 149 ? 0.1908 0.1558 0.1618 0.0171 -0.0060 0.0123 139 GLU A N -2494 C CA . GLU A 149 ? 0.1992 0.1561 0.1632 0.0214 -0.0049 0.0174 139 GLU A CA -2495 C C . GLU A 149 ? 0.2182 0.1805 0.1788 0.0297 -0.0062 0.0191 139 GLU A C -2496 O O . GLU A 149 ? 0.2246 0.2018 0.1858 0.0322 -0.0083 0.0177 139 GLU A O -2497 C CB . GLU A 149 ? 0.2035 0.1618 0.1640 0.0205 -0.0039 0.0197 139 GLU A CB -2498 C CG . GLU A 149 ? 0.2239 0.1792 0.1874 0.0141 -0.0022 0.0189 139 GLU A CG -2499 C CD . GLU A 149 ? 0.2078 0.1673 0.1686 0.0135 -0.0011 0.0203 139 GLU A CD -2500 O OE1 . GLU A 149 ? 0.2343 0.1948 0.1891 0.0176 -0.0009 0.0238 139 GLU A OE1 -2501 O OE2 . GLU A 149 ? 0.2189 0.1807 0.1828 0.0100 -0.0000 0.0185 139 GLU A OE2 -2508 N N . TRP A 150 ? 0.2374 0.1885 0.1938 0.0343 -0.0045 0.0218 140 TRP A N -2509 C CA . TRP A 150 ? 0.2253 0.1806 0.1776 0.0447 -0.0048 0.0244 140 TRP A CA -2510 C C . TRP A 150 ? 0.2533 0.1880 0.1953 0.0503 -0.0006 0.0305 140 TRP A C -2511 O O . TRP A 150 ? 0.2961 0.2138 0.2360 0.0438 0.0023 0.0306 140 TRP A O -2512 C CB . TRP A 150 ? 0.2350 0.1981 0.1931 0.0458 -0.0063 0.0203 140 TRP A CB -2513 C CG . TRP A 150 ? 0.2175 0.1992 0.1846 0.0397 -0.0092 0.0149 140 TRP A CG -2514 C CD1 . TRP A 150 ? 0.1940 0.1742 0.1672 0.0308 -0.0091 0.0108 140 TRP A CD1 -2515 C CD2 . TRP A 150 ? 0.2034 0.2065 0.1731 0.0413 -0.0119 0.0129 140 TRP A CD2 -2516 N NE1 . TRP A 150 ? 0.1998 0.1950 0.1785 0.0265 -0.0106 0.0066 140 TRP A NE1 -2517 C CE2 . TRP A 150 ? 0.2071 0.2174 0.1841 0.0317 -0.0126 0.0070 140 TRP A CE2 -2518 C CE3 . TRP A 150 ? 0.2288 0.2465 0.1946 0.0501 -0.0135 0.0157 140 TRP A CE3 -2519 C CZ2 . TRP A 150 ? 0.2184 0.2484 0.1992 0.0285 -0.0146 0.0023 140 TRP A CZ2 -2520 C CZ3 . TRP A 150 ? 0.2484 0.2900 0.2188 0.0475 -0.0165 0.0111 140 TRP A CZ3 -2521 C CH2 . TRP A 150 ? 0.2280 0.2749 0.2058 0.0357 -0.0170 0.0038 140 TRP A CH2 -2532 N N . PRO A 151 ? 0.2746 0.2108 0.2100 0.0625 0.0003 0.0352 141 PRO A N -2533 C CA . PRO A 151 ? 0.3064 0.2187 0.2300 0.0690 0.0059 0.0414 141 PRO A CA -2534 C C . PRO A 151 ? 0.3133 0.2055 0.2353 0.0654 0.0090 0.0382 141 PRO A C -2535 O O . PRO A 151 ? 0.2994 0.1992 0.2280 0.0635 0.0066 0.0326 141 PRO A O -2536 C CB . PRO A 151 ? 0.3398 0.2624 0.2574 0.0853 0.0060 0.0469 141 PRO A CB -2537 C CG . PRO A 151 ? 0.3186 0.2730 0.2442 0.0846 -0.0000 0.0442 141 PRO A CG -2538 C CD . PRO A 151 ? 0.2624 0.2233 0.1999 0.0710 -0.0032 0.0354 141 PRO A CD -2546 N N . ARG A 152 ? 0.3344 0.2000 0.2463 0.0646 0.0150 0.0417 142 ARG A N -2547 C CA A ARG A 152 ? 0.3870 0.2309 0.2950 0.0607 0.0188 0.0377 142 ARG A CA -2548 C CA B ARG A 152 ? 0.3318 0.1757 0.2398 0.0607 0.0188 0.0377 142 ARG A CA -2549 C C . ARG A 152 ? 0.3195 0.1658 0.2257 0.0720 0.0187 0.0363 142 ARG A C -2550 O O . ARG A 152 ? 0.3378 0.1810 0.2468 0.0676 0.0183 0.0299 142 ARG A O -2551 C CB A ARG A 152 ? 0.5482 0.3606 0.4427 0.0599 0.0269 0.0425 142 ARG A CB -2552 C CB B ARG A 152 ? 0.3340 0.1463 0.2286 0.0598 0.0268 0.0424 142 ARG A CB -2553 C CG A ARG A 152 ? 0.4678 0.2544 0.3555 0.0555 0.0319 0.0374 142 ARG A CG -2554 C CG B ARG A 152 ? 0.4527 0.2389 0.3396 0.0576 0.0321 0.0378 142 ARG A CG -2555 C CD A ARG A 152 ? 0.5545 0.3067 0.4274 0.0543 0.0413 0.0421 142 ARG A CD -2556 C CD B ARG A 152 ? 0.5693 0.3210 0.4416 0.0559 0.0415 0.0423 142 ARG A CD -2557 N NE A ARG A 152 ? 0.8278 0.5557 0.6946 0.0467 0.0461 0.0348 142 ARG A NE -2558 N NE B ARG A 152 ? 0.6409 0.3757 0.5125 0.0392 0.0445 0.0343 142 ARG A NE -2559 C CZ A ARG A 152 ? 0.7251 0.4436 0.5934 0.0288 0.0479 0.0284 142 ARG A CZ -2560 C CZ B ARG A 152 ? 0.8445 0.5605 0.7098 0.0377 0.0480 0.0277 142 ARG A CZ -2561 N NH1 A ARG A 152 ? 1.2631 0.9612 1.1249 0.0224 0.0520 0.0205 142 ARG A NH1 -2562 N NH1 B ARG A 152 ? 1.1831 0.8882 1.0484 0.0207 0.0501 0.0196 142 ARG A NH1 -2563 N NH2 A ARG A 152 ? 0.5626 0.2935 0.4384 0.0174 0.0459 0.0295 142 ARG A NH2 -2564 N NH2 B ARG A 152 ? 0.6744 0.3842 0.5330 0.0531 0.0496 0.0287 142 ARG A NH2 -2591 N N . GLU A 153 ? 0.3328 0.1865 0.2340 0.0874 0.0192 0.0426 143 GLU A N -2592 C CA . GLU A 153 ? 0.3461 0.2054 0.2458 0.0996 0.0194 0.0419 143 GLU A CA -2593 C C . GLU A 153 ? 0.3005 0.1848 0.2141 0.0938 0.0133 0.0345 143 GLU A C -2594 O O . GLU A 153 ? 0.3280 0.2108 0.2412 0.0982 0.0143 0.0312 143 GLU A O -2595 C CB . GLU A 153 ? 0.4059 0.2781 0.2999 0.1177 0.0198 0.0504 143 GLU A CB -2596 C CG . GLU A 153 ? 1.0116 0.9058 0.9088 0.1308 0.0177 0.0500 143 GLU A CG -2597 C CD . GLU A 153 ? 1.3074 1.2189 1.1988 0.1496 0.0179 0.0589 143 GLU A CD -2598 O OE1 . GLU A 153 ? 0.7535 0.6894 0.6501 0.1482 0.0132 0.0607 143 GLU A OE1 -2599 O OE2 . GLU A 153 ? 1.1696 1.0712 1.0505 0.1665 0.0231 0.0641 143 GLU A OE2 -2606 N N . TYR A 154 ? 0.2865 0.1936 0.2112 0.0856 0.0078 0.0323 144 TYR A N -2607 C CA . TYR A 154 ? 0.2708 0.1990 0.2079 0.0791 0.0032 0.0259 144 TYR A CA -2608 C C . TYR A 154 ? 0.2668 0.1810 0.2058 0.0684 0.0042 0.0203 144 TYR A C -2609 O O . TYR A 154 ? 0.2691 0.1884 0.2113 0.0690 0.0038 0.0164 144 TYR A O -2610 C CB . TYR A 154 ? 0.2584 0.2090 0.2050 0.0719 -0.0015 0.0244 144 TYR A CB -2611 C CG . TYR A 154 ? 0.2550 0.2291 0.2020 0.0811 -0.0040 0.0277 144 TYR A CG -2612 C CD1 . TYR A 154 ? 0.2923 0.2653 0.2303 0.0963 -0.0017 0.0341 144 TYR A CD1 -2613 C CD2 . TYR A 154 ? 0.2556 0.2518 0.2112 0.0739 -0.0081 0.0241 144 TYR A CD2 -2614 C CE1 . TYR A 154 ? 0.3058 0.3049 0.2444 0.1048 -0.0045 0.0371 144 TYR A CE1 -2615 C CE2 . TYR A 154 ? 0.2653 0.2859 0.2215 0.0802 -0.0108 0.0255 144 TYR A CE2 -2616 C CZ . TYR A 154 ? 0.2899 0.3135 0.2382 0.0954 -0.0094 0.0320 144 TYR A CZ -2617 O OH . TYR A 154 ? 0.3280 0.3803 0.2764 0.1030 -0.0125 0.0339 144 TYR A OH -2627 N N . TYR A 155 ? 0.2634 0.1631 0.2006 0.0587 0.0055 0.0198 145 TYR A N -2628 C CA . TYR A 155 ? 0.2700 0.1603 0.2088 0.0485 0.0062 0.0143 145 TYR A CA -2629 C C . TYR A 155 ? 0.2972 0.1698 0.2274 0.0533 0.0101 0.0119 145 TYR A C -2630 O O . TYR A 155 ? 0.2903 0.1652 0.2234 0.0491 0.0094 0.0064 145 TYR A O -2631 C CB . TYR A 155 ? 0.2815 0.1610 0.2189 0.0382 0.0075 0.0148 145 TYR A CB -2632 C CG . TYR A 155 ? 0.2538 0.1491 0.1990 0.0328 0.0042 0.0160 145 TYR A CG -2633 C CD1 . TYR A 155 ? 0.2509 0.1665 0.2054 0.0319 0.0003 0.0140 145 TYR A CD1 -2634 C CD2 . TYR A 155 ? 0.2704 0.1582 0.2128 0.0277 0.0060 0.0190 145 TYR A CD2 -2635 C CE1 . TYR A 155 ? 0.2324 0.1587 0.1922 0.0272 -0.0016 0.0144 145 TYR A CE1 -2636 C CE2 . TYR A 155 ? 0.2899 0.1910 0.2383 0.0235 0.0037 0.0197 145 TYR A CE2 -2637 C CZ . TYR A 155 ? 0.2439 0.1631 0.2004 0.0234 -0.0000 0.0172 145 TYR A CZ -2638 O OH . TYR A 155 ? 0.2440 0.1729 0.2048 0.0193 -0.0013 0.0173 145 TYR A OH -2648 N N . GLU A 156 ? 0.2990 0.1533 0.2177 0.0627 0.0148 0.0162 146 GLU A N -2649 C CA A GLU A 156 ? 0.3475 0.1811 0.2556 0.0690 0.0199 0.0140 146 GLU A CA -2650 C CA B GLU A 156 ? 0.3317 0.1654 0.2400 0.0686 0.0198 0.0137 146 GLU A CA -2651 C C . GLU A 156 ? 0.3123 0.1631 0.2245 0.0783 0.0179 0.0120 146 GLU A C -2652 O O . GLU A 156 ? 0.3290 0.1743 0.2393 0.0768 0.0191 0.0061 146 GLU A O -2653 C CB A GLU A 156 ? 0.4619 0.2726 0.3559 0.0803 0.0263 0.0210 146 GLU A CB -2654 C CB B GLU A 156 ? 0.3550 0.1638 0.2489 0.0785 0.0265 0.0204 146 GLU A CB -2655 C CG A GLU A 156 ? 0.6431 0.4257 0.5282 0.0710 0.0317 0.0220 146 GLU A CG -2656 C CG B GLU A 156 ? 0.6881 0.4668 0.5677 0.0841 0.0338 0.0178 146 GLU A CG -2657 C CD A GLU A 156 ? 0.7905 0.5475 0.6598 0.0835 0.0394 0.0305 146 GLU A CD -2658 C CD B GLU A 156 ? 0.5485 0.2943 0.4119 0.0899 0.0423 0.0243 146 GLU A CD -2659 O OE1 A GLU A 156 ? 0.4783 0.2475 0.3460 0.0996 0.0388 0.0381 146 GLU A OE1 -2660 O OE1 B GLU A 156 ? 0.7795 0.5311 0.6415 0.0981 0.0424 0.0334 146 GLU A OE1 -2661 O OE2 A GLU A 156 ? 0.7859 0.5110 0.6442 0.0769 0.0466 0.0297 146 GLU A OE2 -2662 O OE2 B GLU A 156 ? 0.7127 0.4266 0.5641 0.0861 0.0494 0.0201 146 GLU A OE2 -2675 N N . LYS A 157 ? 0.3126 0.1866 0.2305 0.0875 0.0149 0.0165 147 LYS A N -2676 C CA . LYS A 157 ? 0.3036 0.1984 0.2267 0.0956 0.0131 0.0151 147 LYS A CA -2677 C C . LYS A 157 ? 0.2859 0.1945 0.2197 0.0841 0.0096 0.0086 147 LYS A C -2678 O O . LYS A 157 ? 0.2930 0.2059 0.2272 0.0874 0.0105 0.0051 147 LYS A O -2679 C CB . LYS A 157 ? 0.2820 0.2043 0.2112 0.1039 0.0099 0.0201 147 LYS A CB -2680 C CG . LYS A 157 ? 0.3322 0.2478 0.2502 0.1215 0.0137 0.0274 147 LYS A CG -2681 C CD . LYS A 157 ? 0.3495 0.2942 0.2729 0.1278 0.0098 0.0324 147 LYS A CD -2682 C CE . LYS A 157 ? 0.5411 0.4810 0.4518 0.1488 0.0142 0.0411 147 LYS A CE -2683 N NZ . LYS A 157 ? 1.2269 1.1977 1.1419 0.1549 0.0101 0.0460 147 LYS A NZ -2697 N N . TRP A 158 ? 0.2547 0.1700 0.1965 0.0714 0.0063 0.0073 148 TRP A N -2698 C CA . TRP A 158 ? 0.2464 0.1745 0.1973 0.0622 0.0038 0.0028 148 TRP A CA -2699 C C . TRP A 158 ? 0.2640 0.1760 0.2095 0.0569 0.0058 -0.0023 148 TRP A C -2700 O O . TRP A 158 ? 0.2650 0.1864 0.2142 0.0550 0.0051 -0.0057 148 TRP A O -2701 C CB . TRP A 158 ? 0.2411 0.1793 0.2003 0.0522 0.0006 0.0035 148 TRP A CB -2702 C CG . TRP A 158 ? 0.2317 0.1880 0.1962 0.0556 -0.0017 0.0066 148 TRP A CG -2703 C CD1 . TRP A 158 ? 0.2297 0.2022 0.1960 0.0647 -0.0021 0.0079 148 TRP A CD1 -2704 C CD2 . TRP A 158 ? 0.2219 0.1833 0.1898 0.0503 -0.0036 0.0081 148 TRP A CD2 -2705 N NE1 . TRP A 158 ? 0.2270 0.2162 0.1979 0.0643 -0.0046 0.0095 148 TRP A NE1 -2706 C CE2 . TRP A 158 ? 0.2196 0.2014 0.1913 0.0553 -0.0055 0.0093 148 TRP A CE2 -2707 C CE3 . TRP A 158 ? 0.2172 0.1710 0.1857 0.0416 -0.0040 0.0080 148 TRP A CE3 -2708 C CZ2 . TRP A 158 ? 0.2187 0.2104 0.1934 0.0516 -0.0076 0.0099 148 TRP A CZ2 -2709 C CZ3 . TRP A 158 ? 0.2142 0.1768 0.1854 0.0393 -0.0057 0.0094 148 TRP A CZ3 -2710 C CH2 . TRP A 158 ? 0.2159 0.1967 0.1899 0.0438 -0.0075 0.0098 148 TRP A CH2 -2721 N N . LYS A 159 ? 0.2647 0.1535 0.2010 0.0541 0.0087 -0.0030 149 LYS A N -2722 C CA . LYS A 159 ? 0.2797 0.1532 0.2095 0.0482 0.0110 -0.0093 149 LYS A CA -2723 C C . LYS A 159 ? 0.3069 0.1736 0.2291 0.0584 0.0143 -0.0122 149 LYS A C -2724 O O . LYS A 159 ? 0.3075 0.1788 0.2299 0.0558 0.0139 -0.0178 149 LYS A O -2725 C CB . LYS A 159 ? 0.3067 0.1565 0.2283 0.0414 0.0143 -0.0099 149 LYS A CB -2726 C CG . LYS A 159 ? 0.3234 0.1616 0.2398 0.0310 0.0160 -0.0182 149 LYS A CG -2727 C CD . LYS A 159 ? 0.3264 0.1853 0.2531 0.0202 0.0113 -0.0207 149 LYS A CD -2728 C CE . LYS A 159 ? 0.3676 0.2198 0.2894 0.0091 0.0124 -0.0295 149 LYS A CE -2729 N NZ . LYS A 159 ? 0.4590 0.3037 0.3727 0.0134 0.0147 -0.0361 149 LYS A NZ -2743 N N . GLU A 160 ? 0.3217 0.1800 0.2370 0.0714 0.0175 -0.0079 150 GLU A N -2744 C CA . GLU A 160 ? 0.3315 0.1843 0.2391 0.0834 0.0211 -0.0098 150 GLU A CA -2745 C C . GLU A 160 ? 0.3285 0.2105 0.2465 0.0867 0.0177 -0.0104 150 GLU A C -2746 O O . GLU A 160 ? 0.3535 0.2350 0.2675 0.0912 0.0198 -0.0148 150 GLU A O -2747 C CB . GLU A 160 ? 0.4056 0.2479 0.3046 0.0988 0.0252 -0.0031 150 GLU A CB -2748 C CG . GLU A 160 ? 0.9486 0.7581 0.8349 0.0973 0.0305 -0.0012 150 GLU A CG -2749 C CD . GLU A 160 ? 0.4101 0.1905 0.2790 0.1108 0.0388 -0.0010 150 GLU A CD -2750 O OE1 . GLU A 160 ? 1.1505 0.9250 1.0145 0.1129 0.0411 -0.0078 150 GLU A OE1 -2751 O OE2 . GLU A 160 ? 0.8943 0.6572 0.7536 0.1202 0.0436 0.0062 150 GLU A OE2 -2758 N N . ALA A 161 ? 0.3114 0.2186 0.2424 0.0835 0.0131 -0.0067 151 ALA A N -2759 C CA . ALA A 161 ? 0.2770 0.2113 0.2184 0.0838 0.0106 -0.0073 151 ALA A CA -2760 C C . ALA A 161 ? 0.2998 0.2362 0.2439 0.0737 0.0097 -0.0124 151 ALA A C -2761 O O . ALA A 161 ? 0.2887 0.2437 0.2390 0.0742 0.0091 -0.0130 151 ALA A O -2762 C CB . ALA A 161 ? 0.2856 0.2427 0.2391 0.0803 0.0068 -0.0030 151 ALA A CB -2768 N N . GLY A 162 ? 0.2755 0.1965 0.2159 0.0640 0.0094 -0.0153 152 GLY A N -2769 C CA . GLY A 162 ? 0.2820 0.2067 0.2233 0.0557 0.0084 -0.0202 152 GLY A CA -2770 C C . GLY A 162 ? 0.2719 0.2050 0.2212 0.0445 0.0052 -0.0188 152 GLY A C -2771 O O . GLY A 162 ? 0.2713 0.2108 0.2217 0.0388 0.0043 -0.0217 152 GLY A O -2775 N N . ALA A 163 ? 0.2463 0.1802 0.2004 0.0418 0.0037 -0.0144 153 ALA A N -2776 C CA . ALA A 163 ? 0.2314 0.1720 0.1918 0.0327 0.0014 -0.0131 153 ALA A CA -2777 C C . ALA A 163 ? 0.2434 0.1742 0.1986 0.0250 0.0015 -0.0175 153 ALA A C -2778 O O . ALA A 163 ? 0.2754 0.1885 0.2224 0.0241 0.0035 -0.0204 153 ALA A O -2779 C CB . ALA A 163 ? 0.2532 0.1939 0.2176 0.0318 0.0003 -0.0085 153 ALA A CB -2785 N N . ASP A 164 ? 0.2129 0.1560 0.1727 0.0194 -0.0001 -0.0179 154 ASP A N -2786 C CA . ASP A 164 ? 0.2271 0.1688 0.1836 0.0115 -0.0007 -0.0224 154 ASP A CA -2787 C C . ASP A 164 ? 0.2248 0.1674 0.1849 0.0046 -0.0018 -0.0200 154 ASP A C -2788 O O . ASP A 164 ? 0.2428 0.1789 0.1990 -0.0027 -0.0014 -0.0240 154 ASP A O -2789 C CB . ASP A 164 ? 0.2183 0.1772 0.1766 0.0111 -0.0018 -0.0239 154 ASP A CB -2790 C CG . ASP A 164 ? 0.2335 0.1934 0.1877 0.0173 -0.0004 -0.0268 154 ASP A CG -2791 O OD1 . ASP A 164 ? 0.2805 0.2304 0.2261 0.0159 0.0007 -0.0338 154 ASP A OD1 -2792 O OD2 . ASP A 164 ? 0.2217 0.1907 0.1805 0.0230 0.0002 -0.0224 154 ASP A OD2 -2797 N N . ARG A 165 ? 0.2145 0.1659 0.1818 0.0061 -0.0027 -0.0142 155 ARG A N -2798 C CA . ARG A 165 ? 0.1932 0.1490 0.1644 0.0011 -0.0035 -0.0115 155 ARG A CA -2799 C C . ARG A 165 ? 0.1985 0.1514 0.1731 0.0040 -0.0034 -0.0066 155 ARG A C -2800 O O . ARG A 165 ? 0.1940 0.1476 0.1702 0.0092 -0.0031 -0.0050 155 ARG A O -2801 C CB . ARG A 165 ? 0.1969 0.1701 0.1724 0.0002 -0.0045 -0.0099 155 ARG A CB -2802 C CG . ARG A 165 ? 0.1977 0.1796 0.1703 0.0003 -0.0049 -0.0140 155 ARG A CG -2803 C CD . ARG A 165 ? 0.1984 0.1991 0.1740 -0.0002 -0.0058 -0.0116 155 ARG A CD -2804 N NE . ARG A 165 ? 0.2133 0.2247 0.1852 0.0003 -0.0065 -0.0156 155 ARG A NE -2805 C CZ . ARG A 165 ? 0.2018 0.2234 0.1740 0.0065 -0.0056 -0.0124 155 ARG A CZ -2806 N NH1 . ARG A 165 ? 0.1960 0.2194 0.1722 0.0119 -0.0035 -0.0049 155 ARG A NH1 -2807 N NH2 . ARG A 165 ? 0.2090 0.2383 0.1764 0.0070 -0.0062 -0.0171 155 ARG A NH2 -2821 N N . TYR A 166 ? 0.1939 0.1459 0.1697 -0.0001 -0.0034 -0.0047 156 TYR A N -2822 C CA . TYR A 166 ? 0.1808 0.1318 0.1592 0.0022 -0.0033 -0.0007 156 TYR A CA -2823 C C . TYR A 166 ? 0.1969 0.1558 0.1790 -0.0010 -0.0033 0.0017 156 TYR A C -2824 O O . TYR A 166 ? 0.2002 0.1601 0.1814 -0.0060 -0.0032 0.0009 156 TYR A O -2825 C CB . TYR A 166 ? 0.1925 0.1304 0.1659 0.0031 -0.0025 -0.0001 156 TYR A CB -2826 C CG . TYR A 166 ? 0.1963 0.1359 0.1714 0.0078 -0.0029 0.0032 156 TYR A CG -2827 C CD1 . TYR A 166 ? 0.1884 0.1330 0.1664 0.0060 -0.0031 0.0055 156 TYR A CD1 -2828 C CD2 . TYR A 166 ? 0.2027 0.1413 0.1761 0.0141 -0.0031 0.0034 156 TYR A CD2 -2829 C CE1 . TYR A 166 ? 0.1921 0.1400 0.1709 0.0092 -0.0037 0.0069 156 TYR A CE1 -2830 C CE2 . TYR A 166 ? 0.1924 0.1372 0.1676 0.0176 -0.0040 0.0054 156 TYR A CE2 -2831 C CZ . TYR A 166 ? 0.1933 0.1424 0.1710 0.0145 -0.0043 0.0067 156 TYR A CZ -2832 O OH . TYR A 166 ? 0.1999 0.1567 0.1787 0.0172 -0.0054 0.0073 156 TYR A OH -2842 N N . LEU A 167 ? 0.1685 0.1328 0.1542 0.0018 -0.0027 0.0043 157 LEU A N -2843 C CA . LEU A 167 ? 0.1763 0.1467 0.1644 0.0012 -0.0017 0.0070 157 LEU A CA -2844 C C . LEU A 167 ? 0.1846 0.1500 0.1722 0.0015 -0.0013 0.0083 157 LEU A C -2845 O O . LEU A 167 ? 0.1888 0.1523 0.1769 0.0036 -0.0011 0.0080 157 LEU A O -2846 C CB . LEU A 167 ? 0.1906 0.1669 0.1810 0.0046 0.0001 0.0089 157 LEU A CB -2847 C CG . LEU A 167 ? 0.1904 0.1705 0.1818 0.0063 0.0023 0.0122 157 LEU A CG -2848 C CD1 . LEU A 167 ? 0.2162 0.2070 0.2081 0.0051 0.0017 0.0132 157 LEU A CD1 -2849 C CD2 . LEU A 167 ? 0.2560 0.2359 0.2477 0.0103 0.0055 0.0146 157 LEU A CD2 -2861 N N . LEU A 168 ? 0.1738 0.1389 0.1603 -0.0013 -0.0012 0.0093 158 LEU A N -2862 C CA . LEU A 168 ? 0.1699 0.1317 0.1548 -0.0008 -0.0006 0.0109 158 LEU A CA -2863 C C . LEU A 168 ? 0.1734 0.1426 0.1598 -0.0022 0.0009 0.0130 158 LEU A C -2864 O O . LEU A 168 ? 0.1763 0.1468 0.1620 -0.0062 0.0012 0.0138 158 LEU A O -2865 C CB . LEU A 168 ? 0.1982 0.1512 0.1789 -0.0018 -0.0010 0.0111 158 LEU A CB -2866 C CG . LEU A 168 ? 0.1956 0.1465 0.1735 0.0002 -0.0006 0.0133 158 LEU A CG -2867 C CD1 . LEU A 168 ? 0.2282 0.1812 0.2065 0.0043 -0.0018 0.0120 158 LEU A CD1 -2868 C CD2 . LEU A 168 ? 0.2621 0.2030 0.2343 -0.0005 0.0004 0.0154 158 LEU A CD2 -2880 N N . ARG A 169 ? 0.1784 0.1522 0.1666 0.0012 0.0025 0.0140 159 ARG A N -2881 C CA . ARG A 169 ? 0.1733 0.1558 0.1626 0.0024 0.0045 0.0165 159 ARG A CA -2882 C C . ARG A 169 ? 0.1823 0.1637 0.1696 0.0006 0.0051 0.0175 159 ARG A C -2883 O O . ARG A 169 ? 0.1957 0.1698 0.1803 0.0016 0.0049 0.0166 159 ARG A O -2884 C CB . ARG A 169 ? 0.1822 0.1644 0.1713 0.0081 0.0076 0.0178 159 ARG A CB -2885 C CG . ARG A 169 ? 0.1790 0.1638 0.1694 0.0103 0.0078 0.0184 159 ARG A CG -2886 C CD . ARG A 169 ? 0.2118 0.1914 0.2005 0.0160 0.0122 0.0203 159 ARG A CD -2887 N NE . ARG A 169 ? 0.1941 0.1800 0.1817 0.0216 0.0156 0.0241 159 ARG A NE -2888 C CZ . ARG A 169 ? 0.2055 0.1843 0.1894 0.0281 0.0211 0.0265 159 ARG A CZ -2889 N NH1 . ARG A 169 ? 0.2222 0.2070 0.2045 0.0347 0.0244 0.0302 159 ARG A NH1 -2890 N NH2 . ARG A 169 ? 0.2266 0.1920 0.2083 0.0279 0.0239 0.0253 159 ARG A NH2 -2904 N N . HIS A 170 ? 0.1788 0.1695 0.1676 -0.0024 0.0057 0.0193 160 HIS A N -2905 C CA . HIS A 170 ? 0.1791 0.1687 0.1657 -0.0045 0.0069 0.0210 160 HIS A CA -2906 C C . HIS A 170 ? 0.1790 0.1714 0.1640 0.0009 0.0093 0.0224 160 HIS A C -2907 O O . HIS A 170 ? 0.1886 0.1793 0.1706 0.0005 0.0103 0.0235 160 HIS A O -2908 C CB . HIS A 170 ? 0.1847 0.1826 0.1732 -0.0116 0.0074 0.0220 160 HIS A CB -2909 C CG . HIS A 170 ? 0.1808 0.1977 0.1737 -0.0108 0.0088 0.0237 160 HIS A CG -2910 N ND1 . HIS A 170 ? 0.1836 0.2133 0.1804 -0.0102 0.0077 0.0229 160 HIS A ND1 -2911 C CD2 . HIS A 170 ? 0.1960 0.2240 0.1899 -0.0093 0.0113 0.0267 160 HIS A CD2 -2912 C CE1 . HIS A 170 ? 0.1706 0.2190 0.1706 -0.0078 0.0095 0.0256 160 HIS A CE1 -2913 N NE2 . HIS A 170 ? 0.1833 0.2310 0.1819 -0.0075 0.0118 0.0278 160 HIS A NE2 -2921 N N . GLU A 171 ? 0.1823 0.1778 0.1683 0.0065 0.0111 0.0225 161 GLU A N -2922 C CA . GLU A 171 ? 0.1899 0.1833 0.1726 0.0126 0.0145 0.0226 161 GLU A CA -2923 C C . GLU A 171 ? 0.1785 0.1846 0.1617 0.0152 0.0173 0.0259 161 GLU A C -2924 O O . GLU A 171 ? 0.1791 0.1916 0.1625 0.0218 0.0205 0.0280 161 GLU A O -2925 C CB . GLU A 171 ? 0.2053 0.1874 0.1835 0.0120 0.0140 0.0193 161 GLU A CB -2926 C CG . GLU A 171 ? 0.2027 0.1765 0.1810 0.0093 0.0110 0.0162 161 GLU A CG -2927 C CD . GLU A 171 ? 0.2220 0.1919 0.2022 0.0106 0.0118 0.0151 161 GLU A CD -2928 O OE1 . GLU A 171 ? 0.2271 0.1993 0.2080 0.0145 0.0147 0.0172 161 GLU A OE1 -2929 O OE2 . GLU A 171 ? 0.2329 0.1979 0.2135 0.0084 0.0097 0.0124 161 GLU A OE2 -2936 N N . THR A 172 ? 0.1902 0.2001 0.1732 0.0105 0.0166 0.0269 162 THR A N -2937 C CA . THR A 172 ? 0.1935 0.2184 0.1779 0.0109 0.0192 0.0303 162 THR A CA -2938 C C . THR A 172 ? 0.1749 0.2021 0.1604 0.0018 0.0180 0.0316 162 THR A C -2939 O O . THR A 172 ? 0.1932 0.2075 0.1745 -0.0007 0.0168 0.0309 162 THR A O -2940 C CB . THR A 172 ? 0.1897 0.2128 0.1688 0.0179 0.0229 0.0304 162 THR A CB -2941 O OG1 . THR A 172 ? 0.1964 0.2358 0.1772 0.0179 0.0254 0.0340 162 THR A OG1 -2942 C CG2 . THR A 172 ? 0.2167 0.2265 0.1897 0.0165 0.0218 0.0275 162 THR A CG2 -2950 N N . ALA A 173 ? 0.1751 0.2189 0.1656 -0.0029 0.0190 0.0338 163 ALA A N -2951 C CA . ALA A 173 ? 0.1789 0.2239 0.1699 -0.0129 0.0196 0.0352 163 ALA A CA -2952 C C . ALA A 173 ? 0.2235 0.2733 0.2116 -0.0121 0.0231 0.0388 163 ALA A C -2953 O O . ALA A 173 ? 0.2426 0.2925 0.2303 -0.0205 0.0250 0.0410 163 ALA A O -2954 C CB . ALA A 173 ? 0.2054 0.2678 0.2032 -0.0209 0.0191 0.0346 163 ALA A CB -2960 N N . ASN A 174 ? 0.1900 0.2431 0.1755 -0.0026 0.0250 0.0394 164 ASN A N -2961 C CA . ASN A 174 ? 0.1893 0.2471 0.1710 -0.0010 0.0285 0.0425 164 ASN A CA -2962 C C . ASN A 174 ? 0.1941 0.2330 0.1677 -0.0004 0.0274 0.0417 164 ASN A C -2963 O O . ASN A 174 ? 0.1993 0.2278 0.1691 0.0056 0.0256 0.0380 164 ASN A O -2964 C CB . ASN A 174 ? 0.1946 0.2613 0.1750 0.0103 0.0312 0.0422 164 ASN A CB -2965 C CG . ASN A 174 ? 0.1983 0.2704 0.1737 0.0137 0.0351 0.0445 164 ASN A CG -2966 O OD1 . ASN A 174 ? 0.2112 0.2733 0.1806 0.0115 0.0349 0.0450 164 ASN A OD1 -2967 N ND2 . ASN A 174 ? 0.2404 0.3300 0.2177 0.0200 0.0388 0.0466 164 ASN A ND2 -2974 N N . PRO A 175 ? 0.2012 0.2355 0.1718 -0.0065 0.0287 0.0452 165 PRO A N -2975 C CA . PRO A 175 ? 0.2175 0.2358 0.1802 -0.0043 0.0272 0.0452 165 PRO A CA -2976 C C . PRO A 175 ? 0.2091 0.2294 0.1651 0.0039 0.0281 0.0443 165 PRO A C -2977 O O . PRO A 175 ? 0.2251 0.2359 0.1757 0.0075 0.0254 0.0418 165 PRO A O -2978 C CB . PRO A 175 ? 0.2481 0.2612 0.2083 -0.0120 0.0302 0.0508 165 PRO A CB -2979 C CG . PRO A 175 ? 0.3207 0.3505 0.2866 -0.0182 0.0340 0.0535 165 PRO A CG -2980 C CD . PRO A 175 ? 0.2214 0.2648 0.1953 -0.0160 0.0319 0.0494 165 PRO A CD -2988 N N . VAL A 176 ? 0.2106 0.2443 0.1666 0.0069 0.0316 0.0458 166 VAL A N -2989 C CA . VAL A 176 ? 0.2151 0.2505 0.1636 0.0147 0.0329 0.0436 166 VAL A CA -2990 C C . VAL A 176 ? 0.2184 0.2469 0.1663 0.0201 0.0308 0.0363 166 VAL A C -2991 O O . VAL A 176 ? 0.2322 0.2533 0.1737 0.0229 0.0290 0.0316 166 VAL A O -2992 C CB . VAL A 176 ? 0.2190 0.2708 0.1675 0.0169 0.0381 0.0473 166 VAL A CB -2993 C CG1 . VAL A 176 ? 0.2356 0.2889 0.1758 0.0258 0.0399 0.0435 166 VAL A CG1 -2994 C CG2 . VAL A 176 ? 0.2263 0.2824 0.1740 0.0104 0.0408 0.0546 166 VAL A CG2 -3004 N N . LEU A 177 ? 0.2099 0.2420 0.1639 0.0215 0.0316 0.0352 167 LEU A N -3005 C CA . LEU A 177 ? 0.2220 0.2446 0.1747 0.0262 0.0311 0.0292 167 LEU A CA -3006 C C . LEU A 177 ? 0.2073 0.2171 0.1603 0.0222 0.0264 0.0259 167 LEU A C -3007 O O . LEU A 177 ? 0.2171 0.2175 0.1662 0.0242 0.0258 0.0199 167 LEU A O -3008 C CB . LEU A 177 ? 0.2348 0.2646 0.1938 0.0292 0.0331 0.0310 167 LEU A CB -3009 C CG . LEU A 177 ? 0.2514 0.2700 0.2075 0.0357 0.0349 0.0264 167 LEU A CG -3010 C CD1 . LEU A 177 ? 0.2931 0.3055 0.2401 0.0421 0.0389 0.0222 167 LEU A CD1 -3011 C CD2 . LEU A 177 ? 0.3029 0.3311 0.2650 0.0402 0.0369 0.0302 167 LEU A CD2 -3023 N N . HIS A 178 ? 0.1972 0.2064 0.1552 0.0162 0.0236 0.0290 168 HIS A N -3024 C CA . HIS A 178 ? 0.1941 0.1926 0.1526 0.0136 0.0195 0.0262 168 HIS A CA -3025 C C . HIS A 178 ? 0.2058 0.1999 0.1573 0.0153 0.0178 0.0231 168 HIS A C -3026 O O . HIS A 178 ? 0.2114 0.2000 0.1620 0.0158 0.0158 0.0178 168 HIS A O -3027 C CB . HIS A 178 ? 0.1978 0.1951 0.1605 0.0075 0.0179 0.0301 168 HIS A CB -3028 C CG . HIS A 178 ? 0.1879 0.1760 0.1525 0.0058 0.0144 0.0275 168 HIS A CG -3029 N ND1 . HIS A 178 ? 0.1933 0.1818 0.1638 0.0034 0.0135 0.0267 168 HIS A ND1 -3030 C CD2 . HIS A 178 ? 0.1893 0.1702 0.1507 0.0068 0.0116 0.0254 168 HIS A CD2 -3031 C CE1 . HIS A 178 ? 0.2050 0.1851 0.1755 0.0029 0.0106 0.0244 168 HIS A CE1 -3032 N NE2 . HIS A 178 ? 0.2032 0.1792 0.1687 0.0050 0.0094 0.0236 168 HIS A NE2 -3040 N N . ARG A 179 ? 0.2051 0.2039 0.1515 0.0160 0.0189 0.0268 169 ARG A N -3041 C CA . ARG A 179 ? 0.2152 0.2143 0.1542 0.0186 0.0170 0.0246 169 ARG A CA -3042 C C . ARG A 179 ? 0.2260 0.2268 0.1604 0.0216 0.0179 0.0171 169 ARG A C -3043 O O . ARG A 179 ? 0.2434 0.2439 0.1743 0.0216 0.0152 0.0115 169 ARG A O -3044 C CB . ARG A 179 ? 0.2481 0.2517 0.1816 0.0195 0.0188 0.0317 169 ARG A CB -3045 C CG . ARG A 179 ? 0.2737 0.2818 0.1981 0.0240 0.0171 0.0308 169 ARG A CG -3046 C CD . ARG A 179 ? 0.2597 0.2643 0.1842 0.0245 0.0127 0.0294 169 ARG A CD -3047 N NE . ARG A 179 ? 0.2813 0.2953 0.1971 0.0295 0.0108 0.0287 169 ARG A NE -3048 C CZ . ARG A 179 ? 0.2348 0.2512 0.1484 0.0326 0.0074 0.0298 169 ARG A CZ -3049 N NH1 . ARG A 179 ? 0.2822 0.2901 0.2010 0.0313 0.0059 0.0315 169 ARG A NH1 -3050 N NH2 . ARG A 179 ? 0.2846 0.3138 0.1901 0.0380 0.0056 0.0294 169 ARG A NH2 -3064 N N . LYS A 180 ? 0.2174 0.2204 0.1512 0.0241 0.0221 0.0164 170 LYS A N -3065 C CA . LYS A 180 ? 0.2288 0.2292 0.1567 0.0271 0.0244 0.0084 170 LYS A CA -3066 C C . LYS A 180 ? 0.2399 0.2294 0.1702 0.0246 0.0233 0.0017 170 LYS A C -3067 O O . LYS A 180 ? 0.2610 0.2468 0.1861 0.0232 0.0231 -0.0066 170 LYS A O -3068 C CB . LYS A 180 ? 0.2546 0.2579 0.1812 0.0319 0.0299 0.0099 170 LYS A CB -3069 C CG . LYS A 180 ? 0.2856 0.3011 0.2083 0.0343 0.0320 0.0152 170 LYS A CG -3070 C CD . LYS A 180 ? 0.3925 0.4140 0.3150 0.0400 0.0378 0.0171 170 LYS A CD -3071 C CE . LYS A 180 ? 0.4407 0.4760 0.3588 0.0425 0.0408 0.0221 170 LYS A CE -3072 N NZ . LYS A 180 ? 0.3818 0.4252 0.3019 0.0484 0.0463 0.0245 170 LYS A NZ -3086 N N . LEU A 181 ? 0.2160 0.2010 0.1541 0.0231 0.0229 0.0048 171 LEU A N -3087 C CA . LEU A 181 ? 0.2201 0.1944 0.1603 0.0212 0.0231 -0.0003 171 LEU A CA -3088 C C . LEU A 181 ? 0.2108 0.1850 0.1540 0.0162 0.0180 -0.0023 171 LEU A C -3089 O O . LEU A 181 ? 0.2255 0.1927 0.1692 0.0132 0.0181 -0.0081 171 LEU A O -3090 C CB . LEU A 181 ? 0.2213 0.1935 0.1677 0.0235 0.0254 0.0046 171 LEU A CB -3091 C CG . LEU A 181 ? 0.2528 0.2268 0.1966 0.0301 0.0310 0.0067 171 LEU A CG -3092 C CD1 . LEU A 181 ? 0.2984 0.2757 0.2492 0.0327 0.0321 0.0124 171 LEU A CD1 -3093 C CD2 . LEU A 181 ? 0.3712 0.3330 0.3068 0.0335 0.0362 -0.0001 171 LEU A CD2 -3105 N N . ARG A 182 ? 0.2077 0.1889 0.1523 0.0155 0.0142 0.0025 172 ARG A N -3106 C CA . ARG A 182 ? 0.2180 0.2002 0.1654 0.0130 0.0096 0.0024 172 ARG A CA -3107 C C . ARG A 182 ? 0.2332 0.2243 0.1750 0.0150 0.0072 0.0040 172 ARG A C -3108 O O . ARG A 182 ? 0.2250 0.2172 0.1667 0.0166 0.0062 0.0110 172 ARG A O -3109 C CB . ARG A 182 ? 0.2115 0.1904 0.1655 0.0120 0.0087 0.0081 172 ARG A CB -3110 C CG . ARG A 182 ? 0.2004 0.1741 0.1589 0.0117 0.0115 0.0078 172 ARG A CG -3111 C CD . ARG A 182 ? 0.2130 0.1853 0.1775 0.0099 0.0099 0.0115 172 ARG A CD -3112 N NE . ARG A 182 ? 0.2141 0.1837 0.1804 0.0082 0.0069 0.0086 172 ARG A NE -3113 C CZ . ARG A 182 ? 0.2143 0.1842 0.1811 0.0077 0.0039 0.0107 172 ARG A CZ -3114 N NH1 . ARG A 182 ? 0.2101 0.1794 0.1757 0.0077 0.0039 0.0157 172 ARG A NH1 -3115 N NH2 . ARG A 182 ? 0.2234 0.1939 0.1914 0.0074 0.0016 0.0075 172 ARG A NH2 -3129 N N . PRO A 183 ? 0.2314 0.2286 0.1675 0.0151 0.0066 -0.0026 173 PRO A N -3130 C CA . PRO A 183 ? 0.2225 0.2309 0.1513 0.0187 0.0051 -0.0006 173 PRO A CA -3131 C C . PRO A 183 ? 0.2431 0.2585 0.1720 0.0209 0.0009 0.0030 173 PRO A C -3132 O O . PRO A 183 ? 0.2808 0.3052 0.2030 0.0257 0.0000 0.0072 173 PRO A O -3133 C CB . PRO A 183 ? 0.2586 0.2721 0.1815 0.0169 0.0057 -0.0110 173 PRO A CB -3134 C CG . PRO A 183 ? 0.2808 0.2860 0.2087 0.0111 0.0061 -0.0186 173 PRO A CG -3135 C CD . PRO A 183 ? 0.2566 0.2495 0.1913 0.0117 0.0085 -0.0123 173 PRO A CD -3143 N N . ASP A 184 ? 0.2307 0.2429 0.1658 0.0189 -0.0013 0.0023 174 ASP A N -3144 C CA . ASP A 184 ? 0.2387 0.2569 0.1739 0.0227 -0.0046 0.0062 174 ASP A CA -3145 C C . ASP A 184 ? 0.2555 0.2631 0.1906 0.0259 -0.0030 0.0163 174 ASP A C -3146 O O . ASP A 184 ? 0.2872 0.2967 0.2198 0.0311 -0.0044 0.0211 174 ASP A O -3147 C CB . ASP A 184 ? 0.2373 0.2563 0.1796 0.0190 -0.0069 0.0008 174 ASP A CB -3148 C CG . ASP A 184 ? 0.2363 0.2635 0.1788 0.0134 -0.0076 -0.0099 174 ASP A CG -3149 O OD1 . ASP A 184 ? 0.2819 0.3260 0.2204 0.0144 -0.0104 -0.0139 174 ASP A OD1 -3150 O OD2 . ASP A 184 ? 0.2787 0.2956 0.2247 0.0078 -0.0049 -0.0147 174 ASP A OD2 -3155 N N . THR A 185 ? 0.2223 0.2190 0.1599 0.0228 0.0004 0.0192 175 THR A N -3156 C CA . THR A 185 ? 0.2247 0.2101 0.1638 0.0225 0.0020 0.0261 175 THR A CA -3157 C C . THR A 185 ? 0.2294 0.2102 0.1685 0.0194 0.0061 0.0302 175 THR A C -3158 O O . THR A 185 ? 0.2362 0.2235 0.1714 0.0206 0.0077 0.0304 175 THR A O -3159 C CB . THR A 185 ? 0.2201 0.2000 0.1662 0.0198 0.0003 0.0229 175 THR A CB -3160 O OG1 . THR A 185 ? 0.2368 0.2052 0.1828 0.0194 0.0020 0.0285 175 THR A OG1 -3161 C CG2 . THR A 185 ? 0.2182 0.1970 0.1706 0.0149 0.0010 0.0175 175 THR A CG2 -3169 N N . SER A 186 ? 0.2355 0.2073 0.1786 0.0153 0.0078 0.0331 176 SER A N -3170 C CA . SER A 186 ? 0.2327 0.2035 0.1763 0.0112 0.0118 0.0372 176 SER A CA -3171 C C . SER A 186 ? 0.2276 0.1931 0.1779 0.0052 0.0123 0.0365 176 SER A C -3172 O O . SER A 186 ? 0.2272 0.1859 0.1795 0.0048 0.0102 0.0346 176 SER A O -3173 C CB . SER A 186 ? 0.2450 0.2109 0.1810 0.0126 0.0150 0.0450 176 SER A CB -3174 O OG . SER A 186 ? 0.2709 0.2235 0.2047 0.0127 0.0153 0.0480 176 SER A OG -3180 N N . PHE A 187 ? 0.2258 0.1964 0.1795 0.0005 0.0151 0.0381 177 PHE A N -3181 C CA . PHE A 187 ? 0.2329 0.2023 0.1926 -0.0062 0.0155 0.0373 177 PHE A CA -3182 C C . PHE A 187 ? 0.2462 0.2014 0.2022 -0.0103 0.0171 0.0400 177 PHE A C -3183 O O . PHE A 187 ? 0.2481 0.1973 0.2067 -0.0136 0.0158 0.0372 177 PHE A O -3184 C CB . PHE A 187 ? 0.2327 0.2149 0.1967 -0.0104 0.0185 0.0388 177 PHE A CB -3185 C CG . PHE A 187 ? 0.2474 0.2328 0.2176 -0.0182 0.0186 0.0375 177 PHE A CG -3186 C CD1 . PHE A 187 ? 0.2750 0.2658 0.2507 -0.0172 0.0160 0.0335 177 PHE A CD1 -3187 C CD2 . PHE A 187 ? 0.3195 0.3015 0.2887 -0.0270 0.0219 0.0402 177 PHE A CD2 -3188 C CE1 . PHE A 187 ? 0.2777 0.2740 0.2584 -0.0246 0.0157 0.0317 177 PHE A CE1 -3189 C CE2 . PHE A 187 ? 0.3736 0.3599 0.3480 -0.0361 0.0220 0.0374 177 PHE A CE2 -3190 C CZ . PHE A 187 ? 0.3073 0.3024 0.2875 -0.0343 0.0185 0.0331 177 PHE A CZ -3200 N N . GLU A 188 ? 0.2503 0.1984 0.1988 -0.0096 0.0204 0.0458 178 GLU A N -3201 C CA . GLU A 188 ? 0.2724 0.2021 0.2150 -0.0123 0.0234 0.0491 178 GLU A CA -3202 C C . GLU A 188 ? 0.2731 0.1936 0.2139 -0.0064 0.0201 0.0464 178 GLU A C -3203 O O . GLU A 188 ? 0.2763 0.1840 0.2162 -0.0102 0.0213 0.0449 178 GLU A O -3204 C CB . GLU A 188 ? 0.3059 0.2294 0.2391 -0.0092 0.0279 0.0570 178 GLU A CB -3205 C CG . GLU A 188 ? 0.4046 0.3045 0.3283 -0.0092 0.0326 0.0621 178 GLU A CG -3206 C CD . GLU A 188 ? 0.4768 0.3704 0.3896 -0.0041 0.0380 0.0717 178 GLU A CD -3207 O OE1 . GLU A 188 ? 0.4927 0.4017 0.4058 -0.0016 0.0376 0.0737 178 GLU A OE1 -3208 O OE2 . GLU A 188 ? 0.4844 0.3566 0.3874 -0.0019 0.0430 0.0774 178 GLU A OE2 -3215 N N . ASN A 189 ? 0.2575 0.1853 0.1975 0.0024 0.0163 0.0451 179 ASN A N -3216 C CA A ASN A 189 ? 0.2920 0.2154 0.2316 0.0080 0.0131 0.0425 179 ASN A CA -3217 C CA B ASN A 189 ? 0.2359 0.1583 0.1752 0.0077 0.0134 0.0428 179 ASN A CA -3218 C C . ASN A 189 ? 0.2715 0.1962 0.2189 0.0031 0.0108 0.0364 179 ASN A C -3219 O O . ASN A 189 ? 0.2766 0.1913 0.2230 0.0033 0.0108 0.0350 179 ASN A O -3220 C CB A ASN A 189 ? 0.2912 0.2280 0.2306 0.0158 0.0092 0.0407 179 ASN A CB -3221 C CB B ASN A 189 ? 0.2372 0.1702 0.1744 0.0169 0.0099 0.0423 179 ASN A CB -3222 C CG A ASN A 189 ? 0.3068 0.2440 0.2370 0.0237 0.0104 0.0467 179 ASN A CG -3223 C CG B ASN A 189 ? 0.2800 0.2079 0.2146 0.0237 0.0083 0.0422 179 ASN A CG -3224 O OD1 A ASN A 189 ? 0.3610 0.2851 0.2837 0.0251 0.0148 0.0536 179 ASN A OD1 -3225 O OD1 B ASN A 189 ? 0.3869 0.3012 0.3136 0.0281 0.0116 0.0478 179 ASN A OD1 -3226 N ND2 A ASN A 189 ? 0.3121 0.2648 0.2419 0.0290 0.0068 0.0441 179 ASN A ND2 -3227 N ND2 B ASN A 189 ? 0.2546 0.1928 0.1953 0.0248 0.0040 0.0363 179 ASN A ND2 -3240 N N . ARG A 190 ? 0.2449 0.1822 0.1994 -0.0000 0.0093 0.0329 180 ARG A N -3241 C CA . ARG A 190 ? 0.2329 0.1738 0.1943 -0.0031 0.0072 0.0279 180 ARG A CA -3242 C C . ARG A 190 ? 0.2261 0.1593 0.1877 -0.0104 0.0092 0.0275 180 ARG A C -3243 O O . ARG A 190 ? 0.2330 0.1619 0.1959 -0.0114 0.0079 0.0241 180 ARG A O -3244 C CB . ARG A 190 ? 0.2457 0.1999 0.2126 -0.0038 0.0069 0.0261 180 ARG A CB -3245 C CG . ARG A 190 ? 0.2797 0.2388 0.2525 -0.0037 0.0050 0.0220 180 ARG A CG -3246 C CD . ARG A 190 ? 0.2484 0.2084 0.2212 0.0009 0.0033 0.0195 180 ARG A CD -3247 N NE . ARG A 190 ? 0.2043 0.1674 0.1816 0.0015 0.0028 0.0165 180 ARG A NE -3248 C CZ . ARG A 190 ? 0.1898 0.1520 0.1675 0.0036 0.0017 0.0136 180 ARG A CZ -3249 N NH1 . ARG A 190 ? 0.2053 0.1670 0.1802 0.0055 0.0001 0.0127 180 ARG A NH1 -3250 N NH2 . ARG A 190 ? 0.1971 0.1603 0.1782 0.0038 0.0024 0.0118 180 ARG A NH2 -3264 N N . LEU A 191 ? 0.2311 0.1640 0.1917 -0.0167 0.0126 0.0302 181 LEU A N -3265 C CA . LEU A 191 ? 0.2512 0.1772 0.2115 -0.0261 0.0151 0.0286 181 LEU A CA -3266 C C . LEU A 191 ? 0.2547 0.1584 0.2067 -0.0252 0.0173 0.0291 181 LEU A C -3267 O O . LEU A 191 ? 0.2637 0.1606 0.2156 -0.0297 0.0174 0.0245 181 LEU A O -3268 C CB . LEU A 191 ? 0.2683 0.1994 0.2290 -0.0340 0.0190 0.0317 181 LEU A CB -3269 C CG . LEU A 191 ? 0.2838 0.2071 0.2433 -0.0467 0.0228 0.0296 181 LEU A CG -3270 C CD1 . LEU A 191 ? 0.3269 0.2615 0.2931 -0.0517 0.0196 0.0229 181 LEU A CD1 -3271 C CD2 . LEU A 191 ? 0.3665 0.2983 0.3273 -0.0545 0.0270 0.0333 181 LEU A CD2 -3283 N N . ASN A 192 ? 0.2674 0.1603 0.2117 -0.0180 0.0193 0.0344 182 ASN A N -3284 C CA . ASN A 192 ? 0.2930 0.1643 0.2283 -0.0141 0.0221 0.0359 182 ASN A CA -3285 C C . ASN A 192 ? 0.2812 0.1534 0.2187 -0.0088 0.0182 0.0310 182 ASN A C -3286 O O . ASN A 192 ? 0.2878 0.1443 0.2205 -0.0100 0.0204 0.0285 182 ASN A O -3287 C CB . ASN A 192 ? 0.3083 0.1728 0.2349 -0.0043 0.0244 0.0436 182 ASN A CB -3288 C CG . ASN A 192 ? 0.4057 0.2612 0.3266 -0.0101 0.0306 0.0495 182 ASN A CG -3289 O OD1 . ASN A 192 ? 0.4335 0.2806 0.3547 -0.0223 0.0346 0.0475 182 ASN A OD1 -3290 N ND2 . ASN A 192 ? 0.4677 0.3253 0.3828 -0.0021 0.0319 0.0566 182 ASN A ND2 -3297 N N . CYS A 193 ? 0.2552 0.1448 0.1994 -0.0033 0.0130 0.0291 183 CYS A N -3298 C CA . CYS A 193 ? 0.2508 0.1438 0.1983 0.0006 0.0097 0.0246 183 CYS A CA -3299 C C . CYS A 193 ? 0.2538 0.1472 0.2053 -0.0078 0.0094 0.0189 183 CYS A C -3300 O O . CYS A 193 ? 0.2618 0.1461 0.2104 -0.0069 0.0099 0.0158 183 CYS A O -3301 C CB . CYS A 193 ? 0.2310 0.1421 0.1851 0.0052 0.0053 0.0233 183 CYS A CB -3302 S SG . CYS A 193 ? 0.2669 0.1832 0.2167 0.0155 0.0042 0.0275 183 CYS A SG -3308 N N . LEU A 194 ? 0.2261 0.1317 0.1837 -0.0152 0.0088 0.0177 184 LEU A N -3309 C CA . LEU A 194 ? 0.2338 0.1448 0.1952 -0.0231 0.0082 0.0124 184 LEU A CA -3310 C C . LEU A 194 ? 0.2531 0.1465 0.2076 -0.0305 0.0121 0.0098 184 LEU A C -3311 O O . LEU A 194 ? 0.2667 0.1575 0.2204 -0.0332 0.0115 0.0041 184 LEU A O -3312 C CB . LEU A 194 ? 0.2383 0.1675 0.2065 -0.0286 0.0077 0.0128 184 LEU A CB -3313 C CG . LEU A 194 ? 0.2159 0.1610 0.1905 -0.0219 0.0046 0.0136 184 LEU A CG -3314 C CD1 . LEU A 194 ? 0.2460 0.2063 0.2251 -0.0242 0.0053 0.0156 184 LEU A CD1 -3315 C CD2 . LEU A 194 ? 0.2336 0.1852 0.2115 -0.0204 0.0022 0.0099 184 LEU A CD2 -3327 N N . LEU A 195 ? 0.2626 0.1423 0.2110 -0.0342 0.0168 0.0135 185 LEU A N -3328 C CA . LEU A 195 ? 0.2911 0.1491 0.2312 -0.0423 0.0221 0.0108 185 LEU A CA -3329 C C . LEU A 195 ? 0.3091 0.1468 0.2406 -0.0339 0.0236 0.0099 185 LEU A C -3330 O O . LEU A 195 ? 0.3194 0.1433 0.2457 -0.0397 0.0261 0.0038 185 LEU A O -3331 C CB . LEU A 195 ? 0.3421 0.1878 0.2766 -0.0476 0.0281 0.0164 185 LEU A CB -3332 C CG . LEU A 195 ? 0.3355 0.2021 0.2782 -0.0573 0.0277 0.0169 185 LEU A CG -3333 C CD1 . LEU A 195 ? 0.3743 0.2292 0.3110 -0.0604 0.0339 0.0239 185 LEU A CD1 -3334 C CD2 . LEU A 195 ? 0.4143 0.2904 0.3616 -0.0714 0.0274 0.0087 185 LEU A CD2 -3346 N N . THR A 196 ? 0.2981 0.1348 0.2275 -0.0203 0.0222 0.0153 186 THR A N -3347 C CA . THR A 196 ? 0.3332 0.1544 0.2549 -0.0100 0.0237 0.0152 186 THR A CA -3348 C C . THR A 196 ? 0.3103 0.1417 0.2371 -0.0100 0.0196 0.0080 186 THR A C -3349 O O . THR A 196 ? 0.3381 0.1540 0.2581 -0.0095 0.0222 0.0037 186 THR A O -3350 C CB . THR A 196 ? 0.3307 0.1576 0.2513 0.0040 0.0220 0.0223 186 THR A CB -3351 O OG1 . THR A 196 ? 0.3714 0.1873 0.2850 0.0049 0.0266 0.0296 186 THR A OG1 -3352 C CG2 . THR A 196 ? 0.3790 0.1964 0.2931 0.0166 0.0230 0.0230 186 THR A CG2 -3360 N N . LEU A 197 ? 0.2827 0.1384 0.2204 -0.0102 0.0140 0.0068 187 LEU A N -3361 C CA . LEU A 197 ? 0.2718 0.1383 0.2141 -0.0097 0.0107 0.0011 187 LEU A CA -3362 C C . LEU A 197 ? 0.3038 0.1644 0.2434 -0.0204 0.0124 -0.0060 187 LEU A C -3363 O O . LEU A 197 ? 0.3070 0.1624 0.2430 -0.0187 0.0126 -0.0112 187 LEU A O -3364 C CB . LEU A 197 ? 0.2492 0.1398 0.2023 -0.0092 0.0060 0.0020 187 LEU A CB -3365 C CG . LEU A 197 ? 0.2520 0.1502 0.2079 0.0002 0.0040 0.0065 187 LEU A CG -3366 C CD1 . LEU A 197 ? 0.2554 0.1713 0.2196 -0.0016 0.0014 0.0075 187 LEU A CD1 -3367 C CD2 . LEU A 197 ? 0.2622 0.1617 0.2177 0.0085 0.0029 0.0053 187 LEU A CD2 -3379 N N . LYS A 198 ? 0.2841 0.1476 0.2254 -0.0319 0.0136 -0.0072 188 LYS A N -3380 C CA A LYS A 198 ? 0.2997 0.1607 0.2386 -0.0441 0.0152 -0.0152 188 LYS A CA -3381 C CA B LYS A 198 ? 0.3114 0.1721 0.2501 -0.0440 0.0152 -0.0154 188 LYS A CA -3382 C C . LYS A 198 ? 0.3280 0.1575 0.2536 -0.0454 0.0213 -0.0186 188 LYS A C -3383 O O . LYS A 198 ? 0.3584 0.1819 0.2794 -0.0490 0.0220 -0.0266 188 LYS A O -3384 C CB A LYS A 198 ? 0.3023 0.1751 0.2460 -0.0567 0.0158 -0.0155 188 LYS A CB -3385 C CB B LYS A 198 ? 0.3773 0.2480 0.3200 -0.0577 0.0162 -0.0167 188 LYS A CB -3386 C CG A LYS A 198 ? 0.5960 0.4784 0.5405 -0.0701 0.0154 -0.0252 188 LYS A CG -3387 C CG B LYS A 198 ? 0.3229 0.2215 0.2767 -0.0571 0.0120 -0.0131 188 LYS A CG -3388 C CD A LYS A 198 ? 0.8610 0.7606 0.8114 -0.0840 0.0159 -0.0264 188 LYS A CD -3389 C CD B LYS A 198 ? 0.8007 0.6972 0.7548 -0.0634 0.0153 -0.0084 188 LYS A CD -3390 C CE A LYS A 198 ? 0.7328 0.6630 0.6948 -0.0791 0.0113 -0.0207 188 LYS A CE -3391 C CE B LYS A 198 ? 0.4421 0.3655 0.4049 -0.0726 0.0137 -0.0099 188 LYS A CE -3392 N NZ A LYS A 198 ? 0.5348 0.4601 0.4979 -0.0730 0.0129 -0.0116 188 LYS A NZ -3393 N NZ B LYS A 198 ? 0.6624 0.5954 0.6259 -0.0820 0.0124 -0.0190 188 LYS A NZ -3418 N N . GLU A 199 ? 0.3342 0.1422 0.2523 -0.0419 0.0264 -0.0124 189 GLU A N -3419 C CA . GLU A 199 ? 0.3588 0.1328 0.2624 -0.0419 0.0338 -0.0143 189 GLU A CA -3420 C C . GLU A 199 ? 0.4042 0.1706 0.3025 -0.0293 0.0334 -0.0167 189 GLU A C -3421 O O . GLU A 199 ? 0.4297 0.1734 0.3172 -0.0315 0.0383 -0.0230 189 GLU A O -3422 C CB . GLU A 199 ? 0.4130 0.1673 0.3091 -0.0366 0.0395 -0.0047 189 GLU A CB -3423 C CG . GLU A 199 ? 0.5287 0.2437 0.4078 -0.0350 0.0490 -0.0046 189 GLU A CG -3424 C CD . GLU A 199 ? 0.9373 0.6361 0.8083 -0.0232 0.0539 0.0074 189 GLU A CD -3425 O OE1 . GLU A 199 ? 0.8548 0.5744 0.7338 -0.0184 0.0496 0.0146 189 GLU A OE1 -3426 O OE2 . GLU A 199 ? 1.3393 1.0041 1.1948 -0.0177 0.0625 0.0097 189 GLU A OE2 -3433 N N . LEU A 200 ? 0.3168 0.1610 0.2938 0.0433 0.0021 0.0073 190 LEU A N -3434 C CA . LEU A 200 ? 0.3375 0.1861 0.3134 0.0505 0.0014 0.0028 190 LEU A CA -3435 C C . LEU A 200 ? 0.3142 0.1679 0.2912 0.0472 0.0004 -0.0057 190 LEU A C -3436 O O . LEU A 200 ? 0.3621 0.2199 0.3382 0.0529 0.0001 -0.0100 190 LEU A O -3437 C CB . LEU A 200 ? 0.3145 0.1795 0.2902 0.0553 0.0004 0.0062 190 LEU A CB -3438 C CG . LEU A 200 ? 0.3329 0.1950 0.3068 0.0609 0.0011 0.0141 190 LEU A CG -3439 C CD1 . LEU A 200 ? 0.3155 0.1946 0.2891 0.0639 -0.0004 0.0170 190 LEU A CD1 -3440 C CD2 . LEU A 200 ? 0.4450 0.2949 0.4172 0.0695 0.0021 0.0144 190 LEU A CD2 -3452 N N . GLY A 201 ? 0.3075 0.1626 0.2861 0.0388 -0.0001 -0.0078 191 GLY A N -3453 C CA . GLY A 201 ? 0.3183 0.1779 0.2974 0.0354 -0.0012 -0.0155 191 GLY A CA -3454 C C . GLY A 201 ? 0.3113 0.1890 0.2912 0.0341 -0.0023 -0.0163 191 GLY A C -3455 O O . GLY A 201 ? 0.3075 0.1910 0.2873 0.0327 -0.0031 -0.0221 191 GLY A O -3459 N N . TYR A 202 ? 0.2574 0.1443 0.2381 0.0344 -0.0025 -0.0108 192 TYR A N -3460 C CA . TYR A 202 ? 0.2398 0.1415 0.2216 0.0316 -0.0035 -0.0114 192 TYR A CA -3461 C C . TYR A 202 ? 0.2529 0.1555 0.2363 0.0239 -0.0040 -0.0127 192 TYR A C -3462 O O . TYR A 202 ? 0.2771 0.1719 0.2614 0.0198 -0.0035 -0.0105 192 TYR A O -3463 C CB . TYR A 202 ? 0.2520 0.1610 0.2341 0.0327 -0.0036 -0.0054 192 TYR A CB -3464 C CG . TYR A 202 ? 0.2318 0.1462 0.2131 0.0397 -0.0038 -0.0038 192 TYR A CG -3465 C CD1 . TYR A 202 ? 0.2425 0.1495 0.2224 0.0448 -0.0031 -0.0001 192 TYR A CD1 -3466 C CD2 . TYR A 202 ? 0.2379 0.1660 0.2202 0.0409 -0.0046 -0.0052 192 TYR A CD2 -3467 C CE1 . TYR A 202 ? 0.2393 0.1532 0.2189 0.0514 -0.0036 0.0018 192 TYR A CE1 -3468 C CE2 . TYR A 202 ? 0.2287 0.1638 0.2112 0.0466 -0.0050 -0.0035 192 TYR A CE2 -3469 C CZ . TYR A 202 ? 0.2294 0.1581 0.2105 0.0519 -0.0046 -0.0001 192 TYR A CZ -3470 O OH . TYR A 202 ? 0.2463 0.1844 0.2280 0.0578 -0.0053 0.0016 192 TYR A OH -3480 N N . GLU A 203 ? 0.2403 0.1535 0.2241 0.0219 -0.0049 -0.0156 193 GLU A N -3481 C CA A GLU A 203 ? 0.2385 0.1570 0.2240 0.0157 -0.0055 -0.0147 193 GLU A CA -3482 C CA B GLU A 203 ? 0.2241 0.1427 0.2096 0.0157 -0.0055 -0.0147 193 GLU A CA -3483 C C . GLU A 203 ? 0.2455 0.1688 0.2317 0.0157 -0.0052 -0.0090 193 GLU A C -3484 O O . GLU A 203 ? 0.2450 0.1752 0.2306 0.0190 -0.0054 -0.0077 193 GLU A O -3485 C CB A GLU A 203 ? 0.2406 0.1694 0.2260 0.0145 -0.0065 -0.0185 193 GLU A CB -3486 C CB B GLU A 203 ? 0.2111 0.1402 0.1965 0.0147 -0.0064 -0.0182 193 GLU A CB -3487 C CG A GLU A 203 ? 0.2201 0.1449 0.2041 0.0143 -0.0070 -0.0250 193 GLU A CG -3488 C CG B GLU A 203 ? 0.5290 0.4557 0.5138 0.0122 -0.0072 -0.0239 193 GLU A CG -3489 C CD A GLU A 203 ? 0.3615 0.2970 0.3446 0.0134 -0.0079 -0.0287 193 GLU A CD -3490 C CD B GLU A 203 ? 0.4678 0.4063 0.4518 0.0120 -0.0079 -0.0263 193 GLU A CD -3491 O OE1 A GLU A 203 ? 0.2396 0.1847 0.2236 0.0113 -0.0082 -0.0260 193 GLU A OE1 -3492 O OE1 B GLU A 203 ? 0.2715 0.2130 0.2536 0.0163 -0.0076 -0.0291 193 GLU A OE1 -3493 O OE2 A GLU A 203 ? 0.2864 0.2202 0.2672 0.0151 -0.0081 -0.0346 193 GLU A OE2 -3494 O OE2 B GLU A 203 ? 0.2736 0.2188 0.2589 0.0082 -0.0086 -0.0246 193 GLU A OE2 -3507 N N A THR A 204 ? 0.2104 0.1303 0.1978 0.0121 -0.0046 -0.0057 194 THR A N -3508 N N B THR A 204 ? 0.2718 0.1909 0.2590 0.0124 -0.0046 -0.0056 194 THR A N -3509 C CA A THR A 204 ? 0.2067 0.1286 0.1937 0.0128 -0.0040 -0.0004 194 THR A CA -3510 C CA B THR A 204 ? 0.2859 0.2083 0.2728 0.0131 -0.0041 -0.0004 194 THR A CA -3511 C C A THR A 204 ? 0.2320 0.1613 0.2205 0.0089 -0.0042 0.0008 194 THR A C -3512 C C B THR A 204 ? 0.1981 0.1277 0.1866 0.0090 -0.0042 0.0006 194 THR A C -3513 O O A THR A 204 ? 0.2404 0.1694 0.2309 0.0045 -0.0041 0.0000 194 THR A O -3514 O O B THR A 204 ? 0.2198 0.1490 0.2102 0.0047 -0.0042 -0.0004 194 THR A O -3515 C CB A THR A 204 ? 0.2159 0.1276 0.2026 0.0128 -0.0027 0.0032 194 THR A CB -3516 C CB B THR A 204 ? 0.2675 0.1811 0.2538 0.0138 -0.0027 0.0039 194 THR A CB -3517 O OG1 A THR A 204 ? 0.3061 0.2098 0.2914 0.0172 -0.0025 0.0020 194 THR A OG1 -3518 O OG1 B THR A 204 ? 0.2565 0.1654 0.2448 0.0085 -0.0020 0.0044 194 THR A OG1 -3519 C CG2 A THR A 204 ? 0.2623 0.1765 0.2476 0.0145 -0.0019 0.0087 194 THR A CG2 -3520 C CG2 B THR A 204 ? 0.2240 0.1292 0.2087 0.0186 -0.0025 0.0031 194 THR A CG2 -3535 N N . GLY A 205 ? 0.2018 0.1380 0.1895 0.0105 -0.0044 0.0026 195 GLY A N -3536 C CA . GLY A 205 ? 0.1978 0.1400 0.1863 0.0080 -0.0044 0.0038 195 GLY A CA -3537 C C . GLY A 205 ? 0.1885 0.1309 0.1759 0.0086 -0.0034 0.0078 195 GLY A C -3538 O O . GLY A 205 ? 0.2001 0.1425 0.1852 0.0118 -0.0036 0.0093 195 GLY A O -3543 N N . ALA A 206 ? 0.1882 0.1319 0.1769 0.0058 -0.0025 0.0095 196 ALA A N -3544 C CA . ALA A 206 ? 0.1833 0.1288 0.1706 0.0065 -0.0014 0.0128 196 ALA A CA -3545 C C . ALA A 206 ? 0.1903 0.1419 0.1783 0.0055 -0.0015 0.0122 196 ALA A C -3546 O O . ALA A 206 ? 0.1879 0.1423 0.1766 0.0052 -0.0027 0.0097 196 ALA A O -3547 C CB . ALA A 206 ? 0.2178 0.1591 0.2059 0.0047 0.0004 0.0162 196 ALA A CB -3553 N N . GLY A 207 ? 0.1863 0.1402 0.1742 0.0052 -0.0001 0.0145 197 GLY A N -3554 C CA . GLY A 207 ? 0.1929 0.1517 0.1813 0.0052 0.0001 0.0140 197 GLY A CA -3555 C C . GLY A 207 ? 0.1877 0.1477 0.1726 0.0077 0.0009 0.0151 197 GLY A C -3556 O O . GLY A 207 ? 0.2157 0.1743 0.1976 0.0096 0.0004 0.0152 197 GLY A O -3560 N N . SER A 208 ? 0.2080 0.1714 0.1935 0.0080 0.0019 0.0154 198 SER A N -3561 C CA . SER A 208 ? 0.2219 0.1867 0.2038 0.0106 0.0031 0.0160 198 SER A CA -3562 C C . SER A 208 ? 0.1882 0.1533 0.1689 0.0119 0.0023 0.0133 198 SER A C -3563 O O . SER A 208 ? 0.2076 0.1725 0.1905 0.0109 0.0013 0.0121 198 SER A O -3564 C CB . SER A 208 ? 0.2558 0.2241 0.2389 0.0105 0.0056 0.0189 198 SER A CB -3565 O OG . SER A 208 ? 0.2804 0.2520 0.2683 0.0087 0.0058 0.0188 198 SER A OG -3571 N N . MET A 209 ? 0.1920 0.1572 0.1687 0.0143 0.0029 0.0125 199 MET A N -3572 C CA . MET A 209 ? 0.2037 0.1680 0.1789 0.0159 0.0030 0.0101 199 MET A CA -3573 C C . MET A 209 ? 0.2000 0.1674 0.1757 0.0179 0.0054 0.0115 199 MET A C -3574 O O . MET A 209 ? 0.2186 0.1896 0.1941 0.0183 0.0072 0.0141 199 MET A O -3575 C CB . MET A 209 ? 0.2266 0.1889 0.1968 0.0172 0.0019 0.0073 199 MET A CB -3576 C CG . MET A 209 ? 0.2194 0.1799 0.1898 0.0153 -0.0006 0.0055 199 MET A CG -3577 S SD . MET A 209 ? 0.2429 0.2034 0.2081 0.0162 -0.0024 0.0019 199 MET A SD -3578 C CE . MET A 209 ? 0.2457 0.2100 0.2084 0.0179 -0.0020 0.0049 199 MET A CE -3588 N N . VAL A 210 ? 0.1888 0.1556 0.1657 0.0192 0.0057 0.0105 200 VAL A N -3589 C CA . VAL A 210 ? 0.1920 0.1626 0.1698 0.0220 0.0081 0.0117 200 VAL A CA -3590 C C . VAL A 210 ? 0.2025 0.1697 0.1758 0.0257 0.0088 0.0086 200 VAL A C -3591 O O . VAL A 210 ? 0.2123 0.1734 0.1841 0.0256 0.0074 0.0060 200 VAL A O -3592 C CB . VAL A 210 ? 0.1972 0.1704 0.1803 0.0214 0.0079 0.0132 200 VAL A CB -3593 C CG1 . VAL A 210 ? 0.2309 0.2091 0.2154 0.0250 0.0102 0.0144 200 VAL A CG1 -3594 C CG2 . VAL A 210 ? 0.2140 0.1902 0.2010 0.0175 0.0070 0.0151 200 VAL A CG2 -3604 N N . GLY A 211 ? 0.2143 0.1853 0.1850 0.0288 0.0112 0.0089 201 GLY A N -3605 C CA . GLY A 211 ? 0.2176 0.1854 0.1830 0.0328 0.0121 0.0052 201 GLY A CA -3606 C C . GLY A 211 ? 0.2229 0.1888 0.1822 0.0329 0.0112 0.0023 201 GLY A C -3607 O O . GLY A 211 ? 0.2416 0.2030 0.1961 0.0353 0.0110 -0.0021 201 GLY A O -3611 N N . LEU A 212 ? 0.2250 0.1940 0.1838 0.0306 0.0106 0.0045 202 LEU A N -3612 C CA . LEU A 212 ? 0.2278 0.1970 0.1803 0.0314 0.0097 0.0024 202 LEU A CA -3613 C C . LEU A 212 ? 0.2443 0.2175 0.1916 0.0359 0.0124 0.0012 202 LEU A C -3614 O O . LEU A 212 ? 0.2460 0.2243 0.1954 0.0379 0.0154 0.0042 202 LEU A O -3615 C CB . LEU A 212 ? 0.2378 0.2101 0.1909 0.0291 0.0090 0.0063 202 LEU A CB -3616 C CG . LEU A 212 ? 0.2199 0.1888 0.1769 0.0253 0.0062 0.0065 202 LEU A CG -3617 C CD1 . LEU A 212 ? 0.2377 0.2089 0.1963 0.0239 0.0065 0.0111 202 LEU A CD1 -3618 C CD2 . LEU A 212 ? 0.2443 0.2104 0.1979 0.0248 0.0034 0.0022 202 LEU A CD2 -3630 N N . PRO A 213 ? 0.2573 0.2293 0.1976 0.0376 0.0113 -0.0032 203 PRO A N -3631 C CA . PRO A 213 ? 0.2666 0.2432 0.2009 0.0424 0.0140 -0.0047 203 PRO A CA -3632 C C . PRO A 213 ? 0.2726 0.2582 0.2068 0.0430 0.0166 0.0016 203 PRO A C -3633 O O . PRO A 213 ? 0.3368 0.3236 0.2717 0.0403 0.0153 0.0051 203 PRO A O -3634 C CB . PRO A 213 ? 0.3282 0.3025 0.2550 0.0428 0.0113 -0.0106 203 PRO A CB -3635 C CG . PRO A 213 ? 0.3422 0.3110 0.2718 0.0386 0.0078 -0.0122 203 PRO A CG -3636 C CD . PRO A 213 ? 0.2882 0.2560 0.2260 0.0352 0.0076 -0.0071 203 PRO A CD -3644 N N . GLY A 214 ? 0.2971 0.2884 0.2314 0.0464 0.0203 0.0033 204 GLY A N -3645 C CA . GLY A 214 ? 0.3334 0.3338 0.2682 0.0467 0.0236 0.0097 204 GLY A CA -3646 C C . GLY A 214 ? 0.3348 0.3370 0.2786 0.0426 0.0245 0.0158 204 GLY A C -3647 O O . GLY A 214 ? 0.3722 0.3815 0.3177 0.0420 0.0273 0.0215 204 GLY A O -3651 N N . GLN A 215 ? 0.2693 0.2658 0.2191 0.0397 0.0222 0.0148 205 GLN A N -3652 C CA . GLN A 215 ? 0.2909 0.2890 0.2488 0.0356 0.0225 0.0194 205 GLN A CA -3653 C C . GLN A 215 ? 0.2597 0.2639 0.2225 0.0374 0.0251 0.0204 205 GLN A C -3654 O O . GLN A 215 ? 0.3119 0.3137 0.2739 0.0409 0.0249 0.0165 205 GLN A O -3655 C CB . GLN A 215 ? 0.2575 0.2476 0.2183 0.0322 0.0187 0.0172 205 GLN A CB -3656 C CG . GLN A 215 ? 0.2327 0.2232 0.2011 0.0276 0.0181 0.0207 205 GLN A CG -3657 C CD . GLN A 215 ? 0.2396 0.2231 0.2097 0.0252 0.0146 0.0180 205 GLN A CD -3658 O OE1 . GLN A 215 ? 0.2637 0.2441 0.2333 0.0269 0.0136 0.0146 205 GLN A OE1 -3659 N NE2 . GLN A 215 ? 0.2250 0.2058 0.1969 0.0218 0.0130 0.0195 205 GLN A NE2 -3668 N N . THR A 216 ? 0.2332 0.2449 0.2015 0.0351 0.0274 0.0256 206 THR A N -3669 C CA . THR A 216 ? 0.2477 0.2680 0.2218 0.0365 0.0299 0.0273 206 THR A CA -3670 C C . THR A 216 ? 0.2342 0.2556 0.2171 0.0314 0.0283 0.0296 206 THR A C -3671 O O . THR A 216 ? 0.2220 0.2372 0.2065 0.0266 0.0257 0.0300 206 THR A O -3672 C CB . THR A 216 ? 0.2493 0.2808 0.2237 0.0373 0.0343 0.0321 206 THR A CB -3673 O OG1 . THR A 216 ? 0.2739 0.3056 0.2517 0.0312 0.0342 0.0370 206 THR A OG1 -3674 C CG2 . THR A 216 ? 0.3039 0.3359 0.2688 0.0423 0.0360 0.0302 206 THR A CG2 -3682 N N . ILE A 217 ? 0.2506 0.2808 0.2394 0.0326 0.0299 0.0309 207 ILE A N -3683 C CA . ILE A 217 ? 0.2286 0.2620 0.2258 0.0276 0.0284 0.0329 207 ILE A CA -3684 C C . ILE A 217 ? 0.2254 0.2608 0.2260 0.0211 0.0289 0.0370 207 ILE A C -3685 O O . ILE A 217 ? 0.2127 0.2441 0.2169 0.0159 0.0263 0.0370 207 ILE A O -3686 C CB . ILE A 217 ? 0.2629 0.3078 0.2662 0.0305 0.0300 0.0340 207 ILE A CB -3687 C CG1 . ILE A 217 ? 0.3414 0.3818 0.3413 0.0371 0.0293 0.0300 207 ILE A CG1 -3688 C CG2 . ILE A 217 ? 0.2603 0.3111 0.2723 0.0247 0.0283 0.0361 207 ILE A CG2 -3689 C CD1 . ILE A 217 ? 0.3826 0.4143 0.3831 0.0353 0.0253 0.0278 207 ILE A CD1 -3701 N N . ASP A 218 ? 0.2210 0.2618 0.2198 0.0214 0.0324 0.0405 208 ASP A N -3702 C CA . ASP A 218 ? 0.2239 0.2645 0.2257 0.0150 0.0331 0.0450 208 ASP A CA -3703 C C . ASP A 218 ? 0.2096 0.2370 0.2072 0.0126 0.0301 0.0438 208 ASP A C -3704 O O . ASP A 218 ? 0.2079 0.2313 0.2094 0.0068 0.0290 0.0456 208 ASP A O -3705 C CB . ASP A 218 ? 0.2412 0.2894 0.2407 0.0162 0.0377 0.0498 208 ASP A CB -3706 C CG . ASP A 218 ? 0.3787 0.4422 0.3842 0.0171 0.0412 0.0525 208 ASP A CG -3707 O OD1 . ASP A 218 ? 0.3695 0.4386 0.3836 0.0130 0.0404 0.0532 208 ASP A OD1 -3708 O OD2 . ASP A 218 ? 0.5820 0.6528 0.5835 0.0218 0.0449 0.0540 208 ASP A OD2 -3713 N N . ASP A 219 ? 0.1977 0.2181 0.1875 0.0170 0.0287 0.0403 209 ASP A N -3714 C CA . ASP A 219 ? 0.2054 0.2149 0.1918 0.0154 0.0257 0.0389 209 ASP A CA -3715 C C . ASP A 219 ? 0.2027 0.2070 0.1935 0.0123 0.0222 0.0359 209 ASP A C -3716 O O . ASP A 219 ? 0.2000 0.1979 0.1918 0.0087 0.0205 0.0364 209 ASP A O -3717 C CB . ASP A 219 ? 0.2211 0.2261 0.1991 0.0204 0.0246 0.0352 209 ASP A CB -3718 C CG . ASP A 219 ? 0.2345 0.2438 0.2062 0.0237 0.0275 0.0377 209 ASP A CG -3719 O OD1 . ASP A 219 ? 0.2440 0.2549 0.2161 0.0214 0.0294 0.0432 209 ASP A OD1 -3720 O OD2 . ASP A 219 ? 0.2658 0.2766 0.2320 0.0287 0.0279 0.0342 209 ASP A OD2 -3725 N N . LEU A 220 ? 0.1881 0.1953 0.1813 0.0141 0.0213 0.0330 210 LEU A N -3726 C CA . LEU A 220 ? 0.1843 0.1881 0.1813 0.0115 0.0182 0.0306 210 LEU A CA -3727 C C . LEU A 220 ? 0.1970 0.2043 0.2009 0.0056 0.0181 0.0329 210 LEU A C -3728 O O . LEU A 220 ? 0.1921 0.1940 0.1976 0.0022 0.0156 0.0314 210 LEU A O -3729 C CB . LEU A 220 ? 0.2034 0.2108 0.2016 0.0151 0.0177 0.0283 210 LEU A CB -3730 C CG . LEU A 220 ? 0.3296 0.3321 0.3215 0.0205 0.0175 0.0251 210 LEU A CG -3731 C CD1 . LEU A 220 ? 0.3160 0.3198 0.3102 0.0231 0.0167 0.0234 210 LEU A CD1 -3732 C CD2 . LEU A 220 ? 0.3789 0.3722 0.3656 0.0202 0.0154 0.0227 210 LEU A CD2 -3744 N N . VAL A 221 ? 0.1840 0.2006 0.1922 0.0042 0.0208 0.0364 211 VAL A N -3745 C CA . VAL A 221 ? 0.1863 0.2060 0.2014 -0.0024 0.0208 0.0386 211 VAL A CA -3746 C C . VAL A 221 ? 0.1868 0.1967 0.2001 -0.0062 0.0206 0.0401 211 VAL A C -3747 O O . VAL A 221 ? 0.2019 0.2071 0.2185 -0.0112 0.0186 0.0390 211 VAL A O -3748 C CB . VAL A 221 ? 0.2104 0.2433 0.2309 -0.0035 0.0243 0.0426 211 VAL A CB -3749 C CG1 . VAL A 221 ? 0.2322 0.2672 0.2600 -0.0116 0.0243 0.0449 211 VAL A CG1 -3750 C CG2 . VAL A 221 ? 0.2068 0.2499 0.2301 0.0006 0.0242 0.0411 211 VAL A CG2 -3760 N N . ASP A 222 ? 0.1937 0.1999 0.2010 -0.0034 0.0225 0.0425 212 ASP A N -3761 C CA . ASP A 222 ? 0.1961 0.1926 0.2011 -0.0058 0.0223 0.0445 212 ASP A CA -3762 C C . ASP A 222 ? 0.1935 0.1800 0.1961 -0.0053 0.0185 0.0400 212 ASP A C -3763 O O . ASP A 222 ? 0.2049 0.1835 0.2085 -0.0086 0.0176 0.0404 212 ASP A O -3764 C CB . ASP A 222 ? 0.2010 0.1970 0.1991 -0.0015 0.0248 0.0478 212 ASP A CB -3765 C CG . ASP A 222 ? 0.2394 0.2436 0.2395 -0.0030 0.0291 0.0537 212 ASP A CG -3766 O OD1 . ASP A 222 ? 0.2694 0.2768 0.2766 -0.0088 0.0302 0.0563 212 ASP A OD1 -3767 O OD2 . ASP A 222 ? 0.2405 0.2482 0.2346 0.0016 0.0313 0.0557 212 ASP A OD2 -3772 N N . ASP A 223 ? 0.1997 0.1861 0.1990 -0.0010 0.0166 0.0360 213 ASP A N -3773 C CA . ASP A 223 ? 0.1857 0.1648 0.1835 -0.0009 0.0133 0.0319 213 ASP A CA -3774 C C . ASP A 223 ? 0.1986 0.1775 0.2021 -0.0056 0.0115 0.0301 213 ASP A C -3775 O O . ASP A 223 ? 0.2042 0.1758 0.2077 -0.0075 0.0099 0.0286 213 ASP A O -3776 C CB . ASP A 223 ? 0.1914 0.1715 0.1859 0.0034 0.0119 0.0284 213 ASP A CB -3777 C CG . ASP A 223 ? 0.2061 0.1842 0.1940 0.0077 0.0124 0.0284 213 ASP A CG -3778 O OD1 . ASP A 223 ? 0.2066 0.1799 0.1915 0.0079 0.0122 0.0298 213 ASP A OD1 -3779 O OD2 . ASP A 223 ? 0.2220 0.2033 0.2075 0.0111 0.0128 0.0267 213 ASP A OD2 -3784 N N . LEU A 224 ? 0.1912 0.1789 0.1997 -0.0071 0.0118 0.0299 214 LEU A N -3785 C CA . LEU A 224 ? 0.1840 0.1735 0.1978 -0.0116 0.0098 0.0278 214 LEU A CA -3786 C C . LEU A 224 ? 0.2041 0.1888 0.2209 -0.0173 0.0103 0.0293 214 LEU A C -3787 O O . LEU A 224 ? 0.2046 0.1837 0.2225 -0.0203 0.0082 0.0263 214 LEU A O -3788 C CB . LEU A 224 ? 0.1992 0.2008 0.2181 -0.0120 0.0101 0.0281 214 LEU A CB -3789 C CG . LEU A 224 ? 0.1829 0.1878 0.1994 -0.0065 0.0093 0.0264 214 LEU A CG -3790 C CD1 . LEU A 224 ? 0.2077 0.2255 0.2297 -0.0062 0.0101 0.0277 214 LEU A CD1 -3791 C CD2 . LEU A 224 ? 0.2013 0.2011 0.2159 -0.0063 0.0061 0.0226 214 LEU A CD2 -3803 N N . LEU A 225 ? 0.1935 0.1802 0.2117 -0.0190 0.0134 0.0340 215 LEU A N -3804 C CA . LEU A 225 ? 0.2245 0.2056 0.2460 -0.0249 0.0142 0.0361 215 LEU A CA -3805 C C . LEU A 225 ? 0.2059 0.1731 0.2224 -0.0237 0.0136 0.0359 215 LEU A C -3806 O O . LEU A 225 ? 0.2394 0.1986 0.2582 -0.0282 0.0129 0.0350 215 LEU A O -3807 C CB . LEU A 225 ? 0.2228 0.2107 0.2472 -0.0271 0.0181 0.0420 215 LEU A CB -3808 C CG . LEU A 225 ? 0.2616 0.2645 0.2926 -0.0290 0.0186 0.0421 215 LEU A CG -3809 C CD1 . LEU A 225 ? 0.3468 0.3579 0.3799 -0.0298 0.0229 0.0482 215 LEU A CD1 -3810 C CD2 . LEU A 225 ? 0.3391 0.3432 0.3769 -0.0362 0.0162 0.0391 215 LEU A CD2 -3822 N N . PHE A 226 ? 0.2061 0.1703 0.2161 -0.0177 0.0138 0.0365 216 PHE A N -3823 C CA . PHE A 226 ? 0.2258 0.1785 0.2312 -0.0154 0.0129 0.0361 216 PHE A CA -3824 C C . PHE A 226 ? 0.2047 0.1527 0.2107 -0.0160 0.0096 0.0303 216 PHE A C -3825 O O . PHE A 226 ? 0.2372 0.1754 0.2429 -0.0174 0.0089 0.0293 216 PHE A O -3826 C CB . PHE A 226 ? 0.2221 0.1759 0.2209 -0.0089 0.0133 0.0372 216 PHE A CB -3827 C CG . PHE A 226 ? 0.2112 0.1562 0.2055 -0.0056 0.0117 0.0362 216 PHE A CG -3828 C CD1 . PHE A 226 ? 0.2372 0.1743 0.2297 -0.0053 0.0130 0.0403 216 PHE A CD1 -3829 C CD2 . PHE A 226 ? 0.2460 0.1913 0.2381 -0.0025 0.0091 0.0316 216 PHE A CD2 -3830 C CE1 . PHE A 226 ? 0.2685 0.1986 0.2572 -0.0015 0.0115 0.0395 216 PHE A CE1 -3831 C CE2 . PHE A 226 ? 0.2326 0.1714 0.2212 0.0007 0.0078 0.0309 216 PHE A CE2 -3832 C CZ . PHE A 226 ? 0.2430 0.1750 0.2299 0.0016 0.0090 0.0348 216 PHE A CZ -3842 N N . LEU A 227 ? 0.2004 0.1551 0.2068 -0.0146 0.0078 0.0266 217 LEU A N -3843 C CA . LEU A 227 ? 0.1984 0.1506 0.2049 -0.0148 0.0049 0.0212 217 LEU A CA -3844 C C . LEU A 227 ? 0.2307 0.1806 0.2418 -0.0207 0.0041 0.0192 217 LEU A C -3845 O O . LEU A 227 ? 0.2411 0.1830 0.2512 -0.0214 0.0027 0.0159 217 LEU A O -3846 C CB . LEU A 227 ? 0.2122 0.1727 0.2184 -0.0125 0.0036 0.0188 217 LEU A CB -3847 C CG . LEU A 227 ? 0.2171 0.1784 0.2187 -0.0073 0.0039 0.0195 217 LEU A CG -3848 C CD1 . LEU A 227 ? 0.2802 0.2490 0.2822 -0.0055 0.0033 0.0183 217 LEU A CD1 -3849 C CD2 . LEU A 227 ? 0.2181 0.1725 0.2157 -0.0045 0.0026 0.0177 217 LEU A CD2 -3861 N N . LYS A 228 ? 0.2166 0.1737 0.2328 -0.0251 0.0050 0.0208 218 LYS A N -3862 C CA . LYS A 228 ? 0.2522 0.2085 0.2736 -0.0318 0.0041 0.0185 218 LYS A CA -3863 C C . LYS A 228 ? 0.2738 0.2168 0.2949 -0.0347 0.0052 0.0198 218 LYS A C -3864 O O . LYS A 228 ? 0.2878 0.2235 0.3099 -0.0380 0.0035 0.0156 218 LYS A O -3865 C CB . LYS A 228 ? 0.2801 0.2489 0.3076 -0.0357 0.0052 0.0210 218 LYS A CB -3866 C CG . LYS A 228 ? 0.2946 0.2654 0.3287 -0.0439 0.0041 0.0189 218 LYS A CG -3867 C CD . LYS A 228 ? 0.3397 0.3126 0.3741 -0.0449 0.0005 0.0125 218 LYS A CD -3868 C CE . LYS A 228 ? 0.3827 0.3627 0.4244 -0.0531 -0.0010 0.0102 218 LYS A CE -3869 N NZ . LYS A 228 ? 0.2250 0.2045 0.2653 -0.0539 -0.0047 0.0031 218 LYS A NZ -3883 N N . GLU A 229 ? 0.2550 0.1944 0.2745 -0.0332 0.0081 0.0258 219 GLU A N -3884 C CA . GLU A 229 ? 0.2757 0.2020 0.2948 -0.0356 0.0096 0.0286 219 GLU A CA -3885 C C . GLU A 229 ? 0.2743 0.1881 0.2892 -0.0323 0.0078 0.0246 219 GLU A C -3886 O O . GLU A 229 ? 0.3068 0.2090 0.3229 -0.0358 0.0077 0.0232 219 GLU A O -3887 C CB . GLU A 229 ? 0.2936 0.2198 0.3098 -0.0324 0.0130 0.0361 219 GLU A CB -3888 C CG . GLU A 229 ? 0.3541 0.2657 0.3683 -0.0328 0.0149 0.0405 219 GLU A CG -3889 C CD . GLU A 229 ? 0.5807 0.4941 0.5914 -0.0294 0.0182 0.0485 219 GLU A CD -3890 O OE1 . GLU A 229 ? 0.4668 0.3916 0.4753 -0.0256 0.0187 0.0496 219 GLU A OE1 -3891 O OE2 . GLU A 229 ? 0.7347 0.6375 0.7443 -0.0302 0.0202 0.0535 219 GLU A OE2 -3898 N N . HIS A 230 ? 0.2504 0.1662 0.2605 -0.0257 0.0065 0.0226 220 HIS A N -3899 C CA . HIS A 230 ? 0.2810 0.1870 0.2871 -0.0216 0.0052 0.0196 220 HIS A CA -3900 C C . HIS A 230 ? 0.2746 0.1823 0.2809 -0.0217 0.0023 0.0122 220 HIS A C -3901 O O . HIS A 230 ? 0.3079 0.2082 0.3111 -0.0181 0.0014 0.0091 220 HIS A O -3902 C CB . HIS A 230 ? 0.3045 0.2118 0.3053 -0.0144 0.0057 0.0226 220 HIS A CB -3903 C CG . HIS A 230 ? 0.3136 0.2180 0.3130 -0.0134 0.0085 0.0298 220 HIS A CG -3904 N ND1 . HIS A 230 ? 0.3859 0.2777 0.3841 -0.0132 0.0099 0.0332 220 HIS A ND1 -3905 C CD2 . HIS A 230 ? 0.2930 0.2055 0.2916 -0.0126 0.0103 0.0345 220 HIS A CD2 -3906 C CE1 . HIS A 230 ? 0.3409 0.2339 0.3376 -0.0123 0.0125 0.0402 220 HIS A CE1 -3907 N NE2 . HIS A 230 ? 0.3366 0.2424 0.3332 -0.0118 0.0127 0.0408 220 HIS A NE2 -3915 N N . ASP A 231 ? 0.2443 0.1621 0.2538 -0.0251 0.0010 0.0095 221 ASP A N -3916 C CA . ASP A 231 ? 0.2675 0.1876 0.2771 -0.0259 -0.0017 0.0026 221 ASP A CA -3917 C C . ASP A 231 ? 0.2612 0.1812 0.2659 -0.0193 -0.0027 0.0004 221 ASP A C -3918 O O . ASP A 231 ? 0.2635 0.1782 0.2663 -0.0180 -0.0039 -0.0044 221 ASP A O -3919 C CB . ASP A 231 ? 0.3048 0.2146 0.3163 -0.0308 -0.0024 -0.0014 221 ASP A CB -3920 C CG . ASP A 231 ? 0.3363 0.2490 0.3474 -0.0318 -0.0052 -0.0090 221 ASP A CG -3921 O OD1 . ASP A 231 ? 0.3150 0.2405 0.3270 -0.0321 -0.0067 -0.0103 221 ASP A OD1 -3922 O OD2 . ASP A 231 ? 0.4028 0.3047 0.4124 -0.0325 -0.0060 -0.0137 221 ASP A OD2 -3927 N N . PHE A 232 ? 0.2377 0.1641 0.2405 -0.0152 -0.0021 0.0037 222 PHE A N -3928 C CA . PHE A 232 ? 0.2242 0.1510 0.2230 -0.0096 -0.0028 0.0022 222 PHE A CA -3929 C C . PHE A 232 ? 0.2139 0.1462 0.2125 -0.0096 -0.0048 -0.0030 222 PHE A C -3930 O O . PHE A 232 ? 0.2244 0.1645 0.2252 -0.0125 -0.0058 -0.0043 222 PHE A O -3931 C CB . PHE A 232 ? 0.2309 0.1643 0.2282 -0.0064 -0.0020 0.0061 222 PHE A CB -3932 C CG . PHE A 232 ? 0.2201 0.1488 0.2159 -0.0048 -0.0001 0.0111 222 PHE A CG -3933 C CD1 . PHE A 232 ? 0.2194 0.1405 0.2123 -0.0010 0.0001 0.0119 222 PHE A CD1 -3934 C CD2 . PHE A 232 ? 0.2309 0.1631 0.2280 -0.0065 0.0015 0.0152 222 PHE A CD2 -3935 C CE1 . PHE A 232 ? 0.2399 0.1574 0.2309 0.0010 0.0018 0.0171 222 PHE A CE1 -3936 C CE2 . PHE A 232 ? 0.2289 0.1576 0.2239 -0.0048 0.0034 0.0201 222 PHE A CE2 -3937 C CZ . PHE A 232 ? 0.2452 0.1666 0.2371 -0.0013 0.0034 0.0212 222 PHE A CZ -3947 N N . ASP A 233 ? 0.2032 0.1326 0.1989 -0.0057 -0.0054 -0.0056 223 ASP A N -3948 C CA . ASP A 233 ? 0.2102 0.1451 0.2048 -0.0049 -0.0069 -0.0103 223 ASP A CA -3949 C C . ASP A 233 ? 0.1950 0.1404 0.1895 -0.0038 -0.0073 -0.0086 223 ASP A C -3950 O O . ASP A 233 ? 0.2198 0.1722 0.2144 -0.0048 -0.0085 -0.0110 223 ASP A O -3951 C CB . ASP A 233 ? 0.2105 0.1403 0.2022 -0.0005 -0.0070 -0.0132 223 ASP A CB -3952 C CG . ASP A 233 ? 0.2596 0.1770 0.2512 -0.0011 -0.0065 -0.0149 223 ASP A CG -3953 O OD1 . ASP A 233 ? 0.2618 0.1765 0.2549 -0.0054 -0.0073 -0.0186 223 ASP A OD1 -3954 O OD2 . ASP A 233 ? 0.2774 0.1874 0.2677 0.0025 -0.0053 -0.0123 223 ASP A OD2 -3959 N N . MET A 234 ? 0.1904 0.1367 0.1841 -0.0014 -0.0063 -0.0046 224 MET A N -3960 C CA A MET A 234 ? 0.2036 0.1577 0.1970 -0.0004 -0.0065 -0.0029 224 MET A CA -3961 C CA B MET A 234 ? 0.1784 0.1325 0.1718 -0.0004 -0.0065 -0.0029 224 MET A CA -3962 C C . MET A 234 ? 0.1762 0.1305 0.1703 -0.0008 -0.0053 0.0012 224 MET A C -3963 O O . MET A 234 ? 0.1870 0.1360 0.1806 -0.0001 -0.0043 0.0033 224 MET A O -3964 C CB A MET A 234 ? 0.2509 0.2071 0.2422 0.0032 -0.0066 -0.0032 224 MET A CB -3965 C CB B MET A 234 ? 0.2592 0.2149 0.2504 0.0032 -0.0066 -0.0033 224 MET A CB -3966 C CG A MET A 234 ? 0.6971 0.6531 0.6872 0.0048 -0.0072 -0.0070 224 MET A CG -3967 C CG B MET A 234 ? 0.1790 0.1352 0.1693 0.0044 -0.0073 -0.0072 224 MET A CG -3968 S SD A MET A 234 ? 0.2277 0.1756 0.2165 0.0085 -0.0066 -0.0073 224 MET A SD -3969 S SD B MET A 234 ? 0.4763 0.4342 0.4649 0.0090 -0.0070 -0.0072 224 MET A SD -3970 C CE A MET A 234 ? 0.2086 0.1615 0.1965 0.0120 -0.0065 -0.0047 224 MET A CE -3971 C CE B MET A 234 ? 0.5433 0.4919 0.5312 0.0114 -0.0064 -0.0058 224 MET A CE -3990 N N . VAL A 235 ? 0.1710 0.1315 0.1659 -0.0011 -0.0053 0.0025 225 VAL A N -3991 C CA . VAL A 235 ? 0.1693 0.1306 0.1642 -0.0006 -0.0041 0.0058 225 VAL A CA -3992 C C . VAL A 235 ? 0.1705 0.1356 0.1642 0.0012 -0.0043 0.0063 225 VAL A C -3993 O O . VAL A 235 ? 0.1823 0.1518 0.1771 0.0007 -0.0048 0.0060 225 VAL A O -3994 C CB . VAL A 235 ? 0.1807 0.1450 0.1787 -0.0033 -0.0035 0.0071 225 VAL A CB -3995 C CG1 . VAL A 235 ? 0.1918 0.1576 0.1894 -0.0019 -0.0018 0.0104 225 VAL A CG1 -3996 C CG2 . VAL A 235 ? 0.2028 0.1631 0.2027 -0.0063 -0.0033 0.0066 225 VAL A CG2 -4006 N N . GLY A 236 ? 0.1736 0.1367 0.1650 0.0033 -0.0039 0.0072 226 GLY A N -4007 C CA . GLY A 236 ? 0.1714 0.1364 0.1616 0.0045 -0.0040 0.0074 226 GLY A CA -4008 C C . GLY A 236 ? 0.1722 0.1372 0.1616 0.0055 -0.0028 0.0091 226 GLY A C -4009 O O . GLY A 236 ? 0.1833 0.1463 0.1708 0.0065 -0.0022 0.0099 226 GLY A O -4013 N N . ILE A 237 ? 0.1742 0.1416 0.1646 0.0056 -0.0025 0.0097 227 ILE A N -4014 C CA . ILE A 237 ? 0.1726 0.1405 0.1625 0.0073 -0.0011 0.0109 227 ILE A CA -4015 C C . ILE A 237 ? 0.1857 0.1521 0.1741 0.0087 -0.0012 0.0104 227 ILE A C -4016 O O . ILE A 237 ? 0.1877 0.1550 0.1773 0.0081 -0.0020 0.0105 227 ILE A O -4017 C CB . ILE A 237 ? 0.1942 0.1666 0.1873 0.0066 -0.0003 0.0125 227 ILE A CB -4018 C CG1 . ILE A 237 ? 0.2686 0.2411 0.2631 0.0046 0.0003 0.0133 227 ILE A CG1 -4019 C CG2 . ILE A 237 ? 0.2353 0.2096 0.2282 0.0091 0.0013 0.0138 227 ILE A CG2 -4020 C CD1 . ILE A 237 ? 0.3005 0.2786 0.2994 0.0024 0.0006 0.0144 227 ILE A CD1 -4032 N N . GLY A 238 ? 0.1779 0.1419 0.1637 0.0105 -0.0004 0.0099 228 GLY A N -4033 C CA . GLY A 238 ? 0.1815 0.1423 0.1660 0.0117 -0.0003 0.0091 228 GLY A CA -4034 C C . GLY A 238 ? 0.1840 0.1431 0.1656 0.0144 0.0010 0.0083 228 GLY A C -4035 O O . GLY A 238 ? 0.1936 0.1547 0.1740 0.0151 0.0018 0.0086 228 GLY A O -4039 N N . PRO A 239 ? 0.1862 0.1412 0.1664 0.0161 0.0014 0.0073 229 PRO A N -4040 C CA . PRO A 239 ? 0.1899 0.1425 0.1666 0.0191 0.0027 0.0054 229 PRO A CA -4041 C C . PRO A 239 ? 0.2029 0.1528 0.1757 0.0179 0.0015 0.0023 229 PRO A C -4042 O O . PRO A 239 ? 0.2060 0.1542 0.1791 0.0151 -0.0003 0.0012 229 PRO A O -4043 C CB . PRO A 239 ? 0.2218 0.1690 0.1984 0.0210 0.0033 0.0051 229 PRO A CB -4044 C CG . PRO A 239 ? 0.2150 0.1598 0.1935 0.0175 0.0016 0.0057 229 PRO A CG -4045 C CD . PRO A 239 ? 0.1899 0.1417 0.1714 0.0155 0.0009 0.0079 229 PRO A CD -4053 N N . PHE A 240 ? 0.1992 0.1502 0.1683 0.0204 0.0026 0.0010 230 PHE A N -4054 C CA . PHE A 240 ? 0.2029 0.1516 0.1674 0.0202 0.0013 -0.0028 230 PHE A CA -4055 C C . PHE A 240 ? 0.2085 0.1496 0.1714 0.0202 0.0009 -0.0063 230 PHE A C -4056 O O . PHE A 240 ? 0.2201 0.1578 0.1825 0.0233 0.0026 -0.0067 230 PHE A O -4057 C CB . PHE A 240 ? 0.2048 0.1571 0.1650 0.0234 0.0030 -0.0032 230 PHE A CB -4058 C CG . PHE A 240 ? 0.2119 0.1620 0.1662 0.0242 0.0019 -0.0080 230 PHE A CG -4059 C CD1 . PHE A 240 ? 0.2234 0.1743 0.1763 0.0216 -0.0008 -0.0099 230 PHE A CD1 -4060 C CD2 . PHE A 240 ? 0.2326 0.1808 0.1827 0.0279 0.0035 -0.0109 230 PHE A CD2 -4061 C CE1 . PHE A 240 ? 0.2288 0.1788 0.1764 0.0219 -0.0023 -0.0149 230 PHE A CE1 -4062 C CE2 . PHE A 240 ? 0.2549 0.2010 0.1989 0.0286 0.0023 -0.0163 230 PHE A CE2 -4063 C CZ . PHE A 240 ? 0.2363 0.1837 0.1792 0.0251 -0.0008 -0.0183 230 PHE A CZ -4073 N N . ILE A 241 ? 0.2163 0.1547 0.1786 0.0169 -0.0014 -0.0090 231 ILE A N -4074 C CA . ILE A 241 ? 0.2259 0.1559 0.1868 0.0157 -0.0020 -0.0127 231 ILE A CA -4075 C C . ILE A 241 ? 0.2284 0.1579 0.1845 0.0148 -0.0037 -0.0180 231 ILE A C -4076 O O . ILE A 241 ? 0.2310 0.1651 0.1878 0.0116 -0.0060 -0.0187 231 ILE A O -4077 C CB . ILE A 241 ? 0.2237 0.1510 0.1890 0.0115 -0.0031 -0.0111 231 ILE A CB -4078 C CG1 . ILE A 241 ? 0.2556 0.1841 0.2249 0.0129 -0.0015 -0.0060 231 ILE A CG1 -4079 C CG2 . ILE A 241 ? 0.2620 0.1796 0.2260 0.0097 -0.0036 -0.0146 231 ILE A CG2 -4080 C CD1 . ILE A 241 ? 0.2790 0.2071 0.2522 0.0093 -0.0023 -0.0035 231 ILE A CD1 -4092 N N . PRO A 242 ? 0.2342 0.1594 0.1854 0.0178 -0.0029 -0.0221 232 PRO A N -4093 C CA . PRO A 242 ? 0.2355 0.1621 0.1813 0.0172 -0.0047 -0.0276 232 PRO A CA -4094 C C . PRO A 242 ? 0.2713 0.1943 0.2185 0.0114 -0.0077 -0.0312 232 PRO A C -4095 O O . PRO A 242 ? 0.2642 0.1787 0.2142 0.0088 -0.0076 -0.0316 232 PRO A O -4096 C CB . PRO A 242 ? 0.2741 0.1949 0.2145 0.0218 -0.0028 -0.0318 232 PRO A CB -4097 C CG . PRO A 242 ? 0.3058 0.2266 0.2489 0.0260 0.0004 -0.0270 232 PRO A CG -4098 C CD . PRO A 242 ? 0.2538 0.1748 0.2038 0.0228 0.0001 -0.0217 232 PRO A CD -4106 N N . HIS A 243 ? 0.2699 0.1999 0.2151 0.0095 -0.0104 -0.0336 233 HIS A N -4107 C CA . HIS A 243 ? 0.2422 0.1721 0.1892 0.0036 -0.0135 -0.0371 233 HIS A CA -4108 C C . HIS A 243 ? 0.2843 0.2124 0.2251 0.0031 -0.0155 -0.0449 233 HIS A C -4109 O O . HIS A 243 ? 0.2726 0.2068 0.2077 0.0069 -0.0157 -0.0466 233 HIS A O -4110 C CB . HIS A 243 ? 0.2439 0.1849 0.1940 0.0019 -0.0154 -0.0339 233 HIS A CB -4111 C CG . HIS A 243 ? 0.2390 0.1823 0.1926 -0.0043 -0.0184 -0.0363 233 HIS A CG -4112 N ND1 . HIS A 243 ? 0.2697 0.2133 0.2204 -0.0074 -0.0212 -0.0430 233 HIS A ND1 -4113 C CD2 . HIS A 243 ? 0.2398 0.1867 0.1998 -0.0080 -0.0191 -0.0331 233 HIS A CD2 -4114 C CE1 . HIS A 243 ? 0.2661 0.2136 0.2220 -0.0132 -0.0235 -0.0434 233 HIS A CE1 -4115 N NE2 . HIS A 243 ? 0.2578 0.2071 0.2193 -0.0135 -0.0220 -0.0373 233 HIS A NE2 -4123 N N . PRO A 244 ? 0.2828 0.2020 0.2240 -0.0015 -0.0169 -0.0500 234 PRO A N -4124 C CA . PRO A 244 ? 0.3008 0.2164 0.2356 -0.0019 -0.0186 -0.0586 234 PRO A CA -4125 C C . PRO A 244 ? 0.2836 0.2114 0.2153 -0.0034 -0.0222 -0.0621 234 PRO A C -4126 O O . PRO A 244 ? 0.3139 0.2414 0.2387 -0.0020 -0.0235 -0.0689 234 PRO A O -4127 C CB . PRO A 244 ? 0.3579 0.2607 0.2957 -0.0079 -0.0194 -0.0621 234 PRO A CB -4128 C CG . PRO A 244 ? 0.3932 0.2985 0.3394 -0.0121 -0.0192 -0.0555 234 PRO A CG -4129 C CD . PRO A 244 ? 0.2799 0.1914 0.2275 -0.0064 -0.0166 -0.0479 234 PRO A CD -4137 N N . ASP A 245 ? 0.2844 0.2231 0.2208 -0.0060 -0.0241 -0.0582 235 ASP A N -4138 C CA . ASP A 245 ? 0.3068 0.2583 0.2409 -0.0071 -0.0279 -0.0610 235 ASP A CA -4139 C C . ASP A 245 ? 0.2986 0.2606 0.2297 -0.0008 -0.0269 -0.0557 235 ASP A C -4140 O O . ASP A 245 ? 0.3158 0.2898 0.2480 -0.0012 -0.0294 -0.0540 235 ASP A O -4141 C CB . ASP A 245 ? 0.3117 0.2690 0.2530 -0.0140 -0.0308 -0.0606 235 ASP A CB -4142 C CG . ASP A 245 ? 0.3483 0.2952 0.2926 -0.0212 -0.0319 -0.0658 235 ASP A CG -4143 O OD1 . ASP A 245 ? 0.4434 0.3826 0.3820 -0.0218 -0.0327 -0.0733 235 ASP A OD1 -4144 O OD2 . ASP A 245 ? 0.4094 0.3556 0.3611 -0.0262 -0.0318 -0.0627 235 ASP A OD2 -4149 N N . THR A 246 ? 0.2732 0.2312 0.2008 0.0049 -0.0232 -0.0530 236 THR A N -4150 C CA . THR A 246 ? 0.2542 0.2205 0.1790 0.0106 -0.0216 -0.0475 236 THR A CA -4151 C C . THR A 246 ? 0.2637 0.2284 0.1805 0.0159 -0.0194 -0.0498 236 THR A C -4152 O O . THR A 246 ? 0.2823 0.2374 0.1968 0.0160 -0.0182 -0.0548 236 THR A O -4153 C CB . THR A 246 ? 0.2565 0.2213 0.1873 0.0120 -0.0186 -0.0394 236 THR A CB -4154 O OG1 . THR A 246 ? 0.2595 0.2147 0.1904 0.0140 -0.0151 -0.0389 236 THR A OG1 -4155 C CG2 . THR A 246 ? 0.2351 0.2008 0.1739 0.0072 -0.0201 -0.0369 236 THR A CG2 -4163 N N . PRO A 247 ? 0.2630 0.2363 0.1754 0.0208 -0.0182 -0.0459 237 PRO A N -4164 C CA . PRO A 247 ? 0.2751 0.2486 0.1800 0.0262 -0.0155 -0.0475 237 PRO A CA -4165 C C . PRO A 247 ? 0.2657 0.2310 0.1727 0.0287 -0.0111 -0.0452 237 PRO A C -4166 O O . PRO A 247 ? 0.2839 0.2477 0.1850 0.0329 -0.0089 -0.0483 237 PRO A O -4167 C CB . PRO A 247 ? 0.2993 0.2845 0.2008 0.0300 -0.0150 -0.0416 237 PRO A CB -4168 C CG . PRO A 247 ? 0.2750 0.2670 0.1798 0.0268 -0.0191 -0.0403 237 PRO A CG -4169 C CD . PRO A 247 ? 0.2695 0.2537 0.1830 0.0217 -0.0196 -0.0404 237 PRO A CD -4177 N N . LEU A 248 ? 0.2583 0.2191 0.1733 0.0266 -0.0099 -0.0402 238 LEU A N -4178 C CA . LEU A 248 ? 0.2540 0.2085 0.1720 0.0289 -0.0061 -0.0374 238 LEU A CA -4179 C C . LEU A 248 ? 0.2679 0.2105 0.1883 0.0267 -0.0062 -0.0418 238 LEU A C -4180 O O . LEU A 248 ? 0.2657 0.2029 0.1897 0.0284 -0.0035 -0.0388 238 LEU A O -4181 C CB . LEU A 248 ? 0.2485 0.2061 0.1731 0.0284 -0.0046 -0.0291 238 LEU A CB -4182 C CG . LEU A 248 ? 0.2478 0.2153 0.1704 0.0305 -0.0041 -0.0239 238 LEU A CG -4183 C CD1 . LEU A 248 ? 0.2568 0.2249 0.1862 0.0295 -0.0025 -0.0167 238 LEU A CD1 -4184 C CD2 . LEU A 248 ? 0.2610 0.2334 0.1763 0.0355 -0.0016 -0.0244 238 LEU A CD2 -4196 N N . ALA A 249 ? 0.2745 0.2127 0.1927 0.0232 -0.0093 -0.0486 239 ALA A N -4197 C CA . ALA A 249 ? 0.2884 0.2138 0.2092 0.0202 -0.0096 -0.0524 239 ALA A CA -4198 C C . ALA A 249 ? 0.2949 0.2115 0.2139 0.0253 -0.0060 -0.0533 239 ALA A C -4199 O O . ALA A 249 ? 0.3016 0.2087 0.2252 0.0241 -0.0050 -0.0518 239 ALA A O -4200 C CB . ALA A 249 ? 0.3205 0.2429 0.2373 0.0162 -0.0132 -0.0612 239 ALA A CB -4206 N N . ASN A 250 ? 0.3044 0.2243 0.2170 0.0311 -0.0039 -0.0554 240 ASN A N -4207 C CA . ASN A 250 ? 0.3103 0.2222 0.2202 0.0367 -0.0006 -0.0578 240 ASN A CA -4208 C C . ASN A 250 ? 0.2901 0.2082 0.2029 0.0418 0.0034 -0.0504 240 ASN A C -4209 O O . ASN A 250 ? 0.3225 0.2372 0.2334 0.0476 0.0066 -0.0515 240 ASN A O -4210 C CB . ASN A 250 ? 0.3305 0.2416 0.2308 0.0400 -0.0008 -0.0665 240 ASN A CB -4211 C CG . ASN A 250 ? 0.5514 0.4555 0.4493 0.0342 -0.0050 -0.0746 240 ASN A CG -4212 O OD1 . ASN A 250 ? 0.5513 0.4441 0.4538 0.0296 -0.0062 -0.0757 240 ASN A OD1 -4213 N ND2 . ASN A 250 ? 0.6371 0.5487 0.5279 0.0341 -0.0074 -0.0801 240 ASN A ND2 -4220 N N . GLU A 251 ? 0.2731 0.2002 0.1910 0.0398 0.0033 -0.0431 241 GLU A N -4221 C CA . GLU A 251 ? 0.2726 0.2064 0.1941 0.0434 0.0067 -0.0361 241 GLU A CA -4222 C C . GLU A 251 ? 0.2608 0.1882 0.1893 0.0431 0.0079 -0.0325 241 GLU A C -4223 O O . GLU A 251 ? 0.2824 0.2010 0.2137 0.0393 0.0059 -0.0338 241 GLU A O -4224 C CB . GLU A 251 ? 0.2658 0.2105 0.1895 0.0410 0.0061 -0.0302 241 GLU A CB -4225 C CG . GLU A 251 ? 0.3050 0.2570 0.2213 0.0421 0.0051 -0.0327 241 GLU A CG -4226 C CD . GLU A 251 ? 0.4247 0.3820 0.3352 0.0484 0.0086 -0.0334 241 GLU A CD -4227 O OE1 . GLU A 251 ? 0.3692 0.3301 0.2831 0.0512 0.0122 -0.0285 241 GLU A OE1 -4228 O OE2 . GLU A 251 ? 0.6217 0.5808 0.5241 0.0504 0.0079 -0.0390 241 GLU A OE2 -4235 N N . LYS A 252 ? 0.2592 0.1922 0.1907 0.0470 0.0111 -0.0276 242 LYS A N -4236 C CA . LYS A 252 ? 0.2522 0.1817 0.1903 0.0474 0.0121 -0.0236 242 LYS A CA -4237 C C . LYS A 252 ? 0.2544 0.1851 0.1985 0.0413 0.0097 -0.0192 242 LYS A C -4238 O O . LYS A 252 ? 0.2632 0.2010 0.2083 0.0382 0.0086 -0.0167 242 LYS A O -4239 C CB . LYS A 252 ? 0.2519 0.1906 0.1926 0.0521 0.0156 -0.0189 242 LYS A CB -4240 C CG . LYS A 252 ? 0.2913 0.2295 0.2272 0.0593 0.0186 -0.0224 242 LYS A CG -4241 C CD . LYS A 252 ? 0.3196 0.2701 0.2594 0.0632 0.0221 -0.0169 242 LYS A CD -4242 C CE . LYS A 252 ? 0.3989 0.3500 0.3352 0.0716 0.0256 -0.0198 242 LYS A CE -4243 N NZ . LYS A 252 ? 0.4741 0.4398 0.4148 0.0748 0.0291 -0.0141 242 LYS A NZ -4257 N N . LYS A 253 ? 0.2491 0.1722 0.1970 0.0399 0.0091 -0.0183 243 LYS A N -4258 C CA . LYS A 253 ? 0.2354 0.1604 0.1893 0.0352 0.0075 -0.0136 243 LYS A CA -4259 C C . LYS A 253 ? 0.2271 0.1615 0.1857 0.0369 0.0092 -0.0078 243 LYS A C -4260 O O . LYS A 253 ? 0.2469 0.1839 0.2058 0.0418 0.0117 -0.0067 243 LYS A O -4261 C CB . LYS A 253 ? 0.2665 0.1809 0.2223 0.0339 0.0068 -0.0139 243 LYS A CB -4262 C CG . LYS A 253 ? 0.2805 0.1962 0.2413 0.0289 0.0051 -0.0101 243 LYS A CG -4263 C CD . LYS A 253 ? 0.3456 0.2507 0.3080 0.0277 0.0048 -0.0095 243 LYS A CD -4264 C CE . LYS A 253 ? 0.3670 0.2617 0.3257 0.0256 0.0038 -0.0152 243 LYS A CE -4265 N NZ . LYS A 253 ? 0.3471 0.2308 0.3079 0.0234 0.0037 -0.0137 243 LYS A NZ -4279 N N . GLY A 254 ? 0.2265 0.1662 0.1890 0.0328 0.0079 -0.0044 244 GLY A N -4280 C CA . GLY A 254 ? 0.2272 0.1750 0.1947 0.0332 0.0090 0.0005 244 GLY A CA -4281 C C . GLY A 254 ? 0.2112 0.1572 0.1823 0.0352 0.0096 0.0028 244 GLY A C -4282 O O . GLY A 254 ? 0.2608 0.1986 0.2316 0.0347 0.0087 0.0019 244 GLY A O -4286 N N . ASP A 255 ? 0.2158 0.1700 0.1904 0.0376 0.0113 0.0061 245 ASP A N -4287 C CA . ASP A 255 ? 0.2045 0.1593 0.1825 0.0408 0.0120 0.0088 245 ASP A CA -4288 C C . ASP A 255 ? 0.2245 0.1827 0.2070 0.0368 0.0100 0.0120 245 ASP A C -4289 O O . ASP A 255 ? 0.2119 0.1777 0.1972 0.0334 0.0094 0.0136 245 ASP A O -4290 C CB . ASP A 255 ? 0.2297 0.1941 0.2098 0.0453 0.0145 0.0107 245 ASP A CB -4291 C CG . ASP A 255 ? 0.2709 0.2373 0.2544 0.0499 0.0153 0.0136 245 ASP A CG -4292 O OD1 . ASP A 255 ? 0.2947 0.2525 0.2754 0.0547 0.0163 0.0121 245 ASP A OD1 -4293 O OD2 . ASP A 255 ? 0.2705 0.2471 0.2594 0.0486 0.0149 0.0173 245 ASP A OD2 -4298 N N . PHE A 256 ? 0.2154 0.1679 0.1984 0.0373 0.0093 0.0132 246 PHE A N -4299 C CA . PHE A 256 ? 0.1986 0.1548 0.1850 0.0340 0.0075 0.0161 246 PHE A CA -4300 C C . PHE A 256 ? 0.1993 0.1677 0.1904 0.0348 0.0076 0.0193 246 PHE A C -4301 O O . PHE A 256 ? 0.1943 0.1687 0.1879 0.0306 0.0062 0.0200 246 PHE A O -4302 C CB . PHE A 256 ? 0.2224 0.1705 0.2081 0.0352 0.0072 0.0176 246 PHE A CB -4303 C CG . PHE A 256 ? 0.2130 0.1656 0.2014 0.0324 0.0056 0.0209 246 PHE A CG -4304 C CD1 . PHE A 256 ? 0.2265 0.1792 0.2148 0.0271 0.0039 0.0199 246 PHE A CD1 -4305 C CD2 . PHE A 256 ? 0.2440 0.2020 0.2349 0.0357 0.0057 0.0250 246 PHE A CD2 -4306 C CE1 . PHE A 256 ? 0.2444 0.2016 0.2345 0.0249 0.0026 0.0225 246 PHE A CE1 -4307 C CE2 . PHE A 256 ? 0.2343 0.1970 0.2268 0.0335 0.0042 0.0279 246 PHE A CE2 -4308 C CZ . PHE A 256 ? 0.2331 0.1956 0.2251 0.0280 0.0027 0.0264 246 PHE A CZ -4318 N N . THR A 257 ? 0.2103 0.1830 0.2030 0.0401 0.0093 0.0210 247 THR A N -4319 C CA . THR A 257 ? 0.1946 0.1807 0.1926 0.0405 0.0092 0.0240 247 THR A CA -4320 C C . THR A 257 ? 0.2036 0.1973 0.2036 0.0364 0.0093 0.0232 247 THR A C -4321 O O . THR A 257 ? 0.1899 0.1915 0.1938 0.0326 0.0078 0.0244 247 THR A O -4322 C CB . THR A 257 ? 0.2176 0.2079 0.2171 0.0476 0.0111 0.0261 247 THR A CB -4323 O OG1 . THR A 257 ? 0.2647 0.2467 0.2624 0.0512 0.0109 0.0276 247 THR A OG1 -4324 C CG2 . THR A 257 ? 0.2499 0.2562 0.2556 0.0478 0.0107 0.0292 247 THR A CG2 -4332 N N . LEU A 258 ? 0.1937 0.1852 0.1911 0.0373 0.0111 0.0212 248 LEU A N -4333 C CA . LEU A 258 ? 0.1867 0.1841 0.1856 0.0334 0.0115 0.0212 248 LEU A CA -4334 C C . LEU A 258 ? 0.1850 0.1788 0.1836 0.0273 0.0091 0.0203 248 LEU A C -4335 O O . LEU A 258 ? 0.1790 0.1788 0.1810 0.0232 0.0086 0.0213 248 LEU A O -4336 C CB . LEU A 258 ? 0.2084 0.2031 0.2031 0.0359 0.0139 0.0194 248 LEU A CB -4337 C CG . LEU A 258 ? 0.2233 0.2246 0.2194 0.0328 0.0150 0.0206 248 LEU A CG -4338 C CD1 . LEU A 258 ? 0.2360 0.2502 0.2385 0.0325 0.0163 0.0238 248 LEU A CD1 -4339 C CD2 . LEU A 258 ? 0.2386 0.2371 0.2290 0.0362 0.0173 0.0188 248 LEU A CD2 -4351 N N . THR A 259 ? 0.1839 0.1681 0.1786 0.0266 0.0078 0.0183 249 THR A N -4352 C CA . THR A 259 ? 0.1731 0.1546 0.1675 0.0217 0.0058 0.0173 249 THR A CA -4353 C C . THR A 259 ? 0.1816 0.1685 0.1799 0.0194 0.0041 0.0187 249 THR A C -4354 O O . THR A 259 ? 0.1833 0.1723 0.1831 0.0153 0.0029 0.0183 249 THR A O -4355 C CB . THR A 259 ? 0.1866 0.1584 0.1767 0.0214 0.0048 0.0150 249 THR A CB -4356 O OG1 . THR A 259 ? 0.2054 0.1729 0.1915 0.0237 0.0061 0.0130 249 THR A OG1 -4357 C CG2 . THR A 259 ? 0.1954 0.1656 0.1852 0.0172 0.0030 0.0139 249 THR A CG2 -4365 N N . LEU A 260 ? 0.1723 0.1609 0.1716 0.0221 0.0038 0.0203 250 LEU A N -4366 C CA A LEU A 260 ? 0.1782 0.1737 0.1807 0.0204 0.0021 0.0218 250 LEU A CA -4367 C CA B LEU A 260 ? 0.1686 0.1640 0.1710 0.0204 0.0021 0.0218 250 LEU A CA -4368 C C . LEU A 260 ? 0.1679 0.1738 0.1750 0.0183 0.0020 0.0224 250 LEU A C -4369 O O . LEU A 260 ? 0.1686 0.1788 0.1778 0.0144 0.0002 0.0217 250 LEU A O -4370 C CB A LEU A 260 ? 0.2100 0.2073 0.2130 0.0248 0.0022 0.0245 250 LEU A CB -4371 C CB B LEU A 260 ? 0.1898 0.1854 0.1921 0.0249 0.0023 0.0242 250 LEU A CB -4372 C CG A LEU A 260 ? 0.1881 0.1778 0.1880 0.0258 0.0016 0.0253 250 LEU A CG -4373 C CG B LEU A 260 ? 0.1694 0.1708 0.1732 0.0244 0.0004 0.0262 250 LEU A CG -4374 C CD1 A LEU A 260 ? 0.2349 0.2292 0.2364 0.0305 0.0018 0.0290 250 LEU A CD1 -4375 C CD1 B LEU A 260 ? 0.1839 0.1808 0.1855 0.0205 -0.0010 0.0247 250 LEU A CD1 -4376 C CD2 A LEU A 260 ? 0.1733 0.1636 0.1727 0.0213 -0.0003 0.0245 250 LEU A CD2 -4377 C CD2 B LEU A 260 ? 0.2279 0.2277 0.2311 0.0300 0.0013 0.0294 250 LEU A CD2 -4400 N N . LYS A 261 ? 0.1652 0.1757 0.1742 0.0206 0.0041 0.0235 251 LYS A N -4401 C CA . LYS A 261 ? 0.1697 0.1905 0.1837 0.0178 0.0042 0.0243 251 LYS A CA -4402 C C . LYS A 261 ? 0.1624 0.1798 0.1763 0.0123 0.0040 0.0227 251 LYS A C -4403 O O . LYS A 261 ? 0.1778 0.2010 0.1957 0.0077 0.0029 0.0226 251 LYS A O -4404 C CB . LYS A 261 ? 0.1759 0.2030 0.1919 0.0220 0.0070 0.0262 251 LYS A CB -4405 C CG . LYS A 261 ? 0.1837 0.2160 0.2011 0.0278 0.0071 0.0282 251 LYS A CG -4406 C CD . LYS A 261 ? 0.2458 0.2832 0.2643 0.0334 0.0101 0.0297 251 LYS A CD -4407 C CE . LYS A 261 ? 0.2392 0.2903 0.2639 0.0308 0.0111 0.0312 251 LYS A CE -4408 N NZ . LYS A 261 ? 0.2158 0.2756 0.2427 0.0374 0.0141 0.0332 251 LYS A NZ -4422 N N . MET A 262 ? 0.1708 0.1786 0.1800 0.0126 0.0047 0.0215 252 MET A N -4423 C CA . MET A 262 ? 0.1718 0.1751 0.1802 0.0082 0.0044 0.0204 252 MET A CA -4424 C C . MET A 262 ? 0.1831 0.1841 0.1917 0.0049 0.0017 0.0184 252 MET A C -4425 O O . MET A 262 ? 0.1789 0.1799 0.1894 0.0007 0.0011 0.0176 252 MET A O -4426 C CB . MET A 262 ? 0.1754 0.1703 0.1784 0.0102 0.0055 0.0196 252 MET A CB -4427 C CG . MET A 262 ? 0.1840 0.1816 0.1863 0.0127 0.0083 0.0212 252 MET A CG -4428 S SD . MET A 262 ? 0.1873 0.1896 0.1929 0.0085 0.0099 0.0237 252 MET A SD -4429 C CE . MET A 262 ? 0.2052 0.1972 0.2064 0.0065 0.0090 0.0227 252 MET A CE -4439 N N . VAL A 263 ? 0.1664 0.1647 0.1727 0.0067 0.0004 0.0175 253 VAL A N -4440 C CA . VAL A 263 ? 0.1734 0.1716 0.1797 0.0041 -0.0019 0.0157 253 VAL A CA -4441 C C . VAL A 263 ? 0.1648 0.1722 0.1755 0.0016 -0.0032 0.0157 253 VAL A C -4442 O O . VAL A 263 ? 0.1653 0.1728 0.1770 -0.0022 -0.0045 0.0134 253 VAL A O -4443 C CB . VAL A 263 ? 0.1789 0.1743 0.1823 0.0067 -0.0025 0.0159 253 VAL A CB -4444 C CG1 . VAL A 263 ? 0.1812 0.1793 0.1846 0.0047 -0.0046 0.0145 253 VAL A CG1 -4445 C CG2 . VAL A 263 ? 0.1906 0.1770 0.1900 0.0077 -0.0018 0.0150 253 VAL A CG2 -4455 N N . ALA A 264 ? 0.1581 0.1736 0.1714 0.0040 -0.0028 0.0179 254 ALA A N -4456 C CA . ALA A 264 ? 0.1612 0.1876 0.1790 0.0016 -0.0044 0.0178 254 ALA A CA -4457 C C . ALA A 264 ? 0.1669 0.1955 0.1886 -0.0035 -0.0042 0.0168 254 ALA A C -4458 O O . ALA A 264 ? 0.1623 0.1944 0.1863 -0.0081 -0.0062 0.0144 254 ALA A O -4459 C CB . ALA A 264 ? 0.1719 0.2075 0.1923 0.0059 -0.0038 0.0209 254 ALA A CB -4465 N N . LEU A 265 ? 0.1652 0.1924 0.1878 -0.0031 -0.0016 0.0187 255 LEU A N -4466 C CA . LEU A 265 ? 0.1616 0.1904 0.1881 -0.0083 -0.0009 0.0187 255 LEU A CA -4467 C C . LEU A 265 ? 0.1648 0.1831 0.1888 -0.0121 -0.0017 0.0160 255 LEU A C -4468 O O . LEU A 265 ? 0.1779 0.1970 0.2053 -0.0176 -0.0025 0.0146 255 LEU A O -4469 C CB . LEU A 265 ? 0.1769 0.2070 0.2042 -0.0064 0.0025 0.0219 255 LEU A CB -4470 C CG . LEU A 265 ? 0.1690 0.2119 0.2004 -0.0032 0.0035 0.0244 255 LEU A CG -4471 C CD1 . LEU A 265 ? 0.2024 0.2447 0.2321 0.0008 0.0071 0.0269 255 LEU A CD1 -4472 C CD2 . LEU A 265 ? 0.1808 0.2359 0.2199 -0.0087 0.0027 0.0248 255 LEU A CD2 -4484 N N . THR A 266 ? 0.1687 0.1774 0.1873 -0.0094 -0.0017 0.0151 256 THR A N -4485 C CA . THR A 266 ? 0.1673 0.1666 0.1834 -0.0118 -0.0026 0.0125 256 THR A CA -4486 C C . THR A 266 ? 0.1828 0.1845 0.2001 -0.0148 -0.0053 0.0088 256 THR A C -4487 O O . THR A 266 ? 0.1840 0.1816 0.2024 -0.0189 -0.0060 0.0065 256 THR A O -4488 C CB . THR A 266 ? 0.1720 0.1630 0.1825 -0.0079 -0.0022 0.0122 256 THR A CB -4489 O OG1 . THR A 266 ? 0.1834 0.1721 0.1925 -0.0057 0.0001 0.0149 256 THR A OG1 -4490 C CG2 . THR A 266 ? 0.2047 0.1873 0.2130 -0.0095 -0.0031 0.0097 256 THR A CG2 -4498 N N . ARG A 267 ? 0.1687 0.1768 0.1853 -0.0126 -0.0069 0.0082 257 ARG A N -4499 C CA . ARG A 267 ? 0.1658 0.1781 0.1829 -0.0152 -0.0095 0.0047 257 ARG A CA -4500 C C . ARG A 267 ? 0.1733 0.1929 0.1961 -0.0204 -0.0105 0.0036 257 ARG A C -4501 O O . ARG A 267 ? 0.1766 0.1948 0.1999 -0.0246 -0.0124 -0.0006 257 ARG A O -4502 C CB . ARG A 267 ? 0.1692 0.1888 0.1848 -0.0115 -0.0107 0.0056 257 ARG A CB -4503 C CG . ARG A 267 ? 0.1792 0.2071 0.1953 -0.0136 -0.0137 0.0024 257 ARG A CG -4504 C CD . ARG A 267 ? 0.1720 0.1934 0.1848 -0.0157 -0.0149 -0.0026 257 ARG A CD -4505 N NE . ARG A 267 ? 0.1664 0.1821 0.1743 -0.0118 -0.0141 -0.0019 257 ARG A NE -4506 C CZ . ARG A 267 ? 0.1689 0.1761 0.1736 -0.0117 -0.0137 -0.0047 257 ARG A CZ -4507 N NH1 . ARG A 267 ? 0.1854 0.1880 0.1907 -0.0152 -0.0145 -0.0089 257 ARG A NH1 -4508 N NH2 . ARG A 267 ? 0.1754 0.1791 0.1767 -0.0083 -0.0128 -0.0034 257 ARG A NH2 -4522 N N . ILE A 268 ? 0.1731 0.2014 0.2002 -0.0203 -0.0095 0.0069 258 ILE A N -4523 C CA . ILE A 268 ? 0.1822 0.2192 0.2158 -0.0260 -0.0104 0.0061 258 ILE A CA -4524 C C . ILE A 268 ? 0.1971 0.2246 0.2320 -0.0315 -0.0095 0.0048 258 ILE A C -4525 O O . ILE A 268 ? 0.2034 0.2319 0.2414 -0.0376 -0.0113 0.0012 258 ILE A O -4526 C CB . ILE A 268 ? 0.1741 0.2228 0.2123 -0.0239 -0.0088 0.0106 258 ILE A CB -4527 C CG1 . ILE A 268 ? 0.1900 0.2483 0.2273 -0.0188 -0.0103 0.0117 258 ILE A CG1 -4528 C CG2 . ILE A 268 ? 0.2031 0.2615 0.2491 -0.0305 -0.0092 0.0106 258 ILE A CG2 -4529 C CD1 . ILE A 268 ? 0.1983 0.2643 0.2379 -0.0136 -0.0082 0.0164 258 ILE A CD1 -4541 N N . LEU A 269 ? 0.1865 0.2044 0.2190 -0.0296 -0.0066 0.0076 259 LEU A N -4542 C CA . LEU A 269 ? 0.1929 0.2009 0.2263 -0.0340 -0.0053 0.0077 259 LEU A CA -4543 C C . LEU A 269 ? 0.2149 0.2113 0.2446 -0.0354 -0.0069 0.0029 259 LEU A C -4544 O O . LEU A 269 ? 0.2288 0.2187 0.2607 -0.0408 -0.0070 0.0012 259 LEU A O -4545 C CB . LEU A 269 ? 0.2132 0.2155 0.2441 -0.0305 -0.0019 0.0123 259 LEU A CB -4546 C CG . LEU A 269 ? 0.2087 0.2212 0.2435 -0.0298 0.0005 0.0170 259 LEU A CG -4547 C CD1 . LEU A 269 ? 0.2545 0.2616 0.2845 -0.0246 0.0034 0.0205 259 LEU A CD1 -4548 C CD2 . LEU A 269 ? 0.2662 0.2819 0.3073 -0.0367 0.0015 0.0185 259 LEU A CD2 -4560 N N . LEU A 270 ? 0.2032 0.1968 0.2276 -0.0306 -0.0080 0.0009 260 LEU A N -4561 C CA . LEU A 270 ? 0.2214 0.2043 0.2415 -0.0301 -0.0090 -0.0032 260 LEU A CA -4562 C C . LEU A 270 ? 0.1928 0.1822 0.2108 -0.0286 -0.0117 -0.0072 260 LEU A C -4563 O O . LEU A 270 ? 0.1953 0.1842 0.2091 -0.0238 -0.0117 -0.0070 260 LEU A O -4564 C CB . LEU A 270 ? 0.2001 0.1740 0.2155 -0.0249 -0.0072 -0.0008 260 LEU A CB -4565 C CG . LEU A 270 ? 0.2273 0.1942 0.2434 -0.0258 -0.0045 0.0033 260 LEU A CG -4566 C CD1 . LEU A 270 ? 0.2645 0.2254 0.2757 -0.0201 -0.0033 0.0053 260 LEU A CD1 -4567 C CD2 . LEU A 270 ? 0.2738 0.2318 0.2919 -0.0308 -0.0045 0.0016 260 LEU A CD2 -4579 N N . PRO A 271 ? 0.1956 0.1914 0.2165 -0.0331 -0.0140 -0.0110 261 PRO A N -4580 C CA . PRO A 271 ? 0.2040 0.2096 0.2229 -0.0315 -0.0166 -0.0137 261 PRO A CA -4581 C C . PRO A 271 ? 0.1929 0.1935 0.2060 -0.0282 -0.0173 -0.0174 261 PRO A C -4582 O O . PRO A 271 ? 0.2054 0.2137 0.2158 -0.0249 -0.0183 -0.0172 261 PRO A O -4583 C CB . PRO A 271 ? 0.2026 0.2156 0.2259 -0.0379 -0.0192 -0.0178 261 PRO A CB -4584 C CG . PRO A 271 ? 0.2327 0.2457 0.2621 -0.0421 -0.0175 -0.0143 261 PRO A CG -4585 C CD . PRO A 271 ? 0.2205 0.2184 0.2472 -0.0401 -0.0145 -0.0119 261 PRO A CD -4593 N N . ASP A 272 ? 0.2201 0.2085 0.2309 -0.0287 -0.0167 -0.0204 262 ASP A N -4594 C CA . ASP A 272 ? 0.2211 0.2059 0.2264 -0.0251 -0.0173 -0.0241 262 ASP A CA -4595 C C . ASP A 272 ? 0.2418 0.2186 0.2443 -0.0202 -0.0149 -0.0210 262 ASP A C -4596 O O . ASP A 272 ? 0.2244 0.1970 0.2230 -0.0172 -0.0148 -0.0238 262 ASP A O -4597 C CB . ASP A 272 ? 0.2582 0.2382 0.2624 -0.0284 -0.0191 -0.0316 262 ASP A CB -4598 C CG . ASP A 272 ? 0.2818 0.2491 0.2884 -0.0321 -0.0181 -0.0325 262 ASP A CG -4599 O OD1 . ASP A 272 ? 0.2748 0.2349 0.2819 -0.0303 -0.0156 -0.0275 262 ASP A OD1 -4600 O OD2 . ASP A 272 ? 0.2876 0.2522 0.2953 -0.0369 -0.0198 -0.0381 262 ASP A OD2 -4605 N N . SER A 273 ? 0.2022 0.1780 0.2063 -0.0190 -0.0131 -0.0154 263 SER A N -4606 C CA . SER A 273 ? 0.2026 0.1725 0.2039 -0.0146 -0.0113 -0.0126 263 SER A CA -4607 C C . SER A 273 ? 0.1934 0.1697 0.1921 -0.0107 -0.0115 -0.0116 263 SER A C -4608 O O . SER A 273 ? 0.1968 0.1822 0.1958 -0.0109 -0.0125 -0.0112 263 SER A O -4609 C CB . SER A 273 ? 0.2109 0.1788 0.2143 -0.0145 -0.0094 -0.0073 263 SER A CB -4610 O OG . SER A 273 ? 0.2435 0.2207 0.2491 -0.0146 -0.0093 -0.0043 263 SER A OG -4616 N N . ASN A 274 ? 0.1814 0.1533 0.1776 -0.0073 -0.0104 -0.0108 264 ASN A N -4617 C CA . ASN A 274 ? 0.1787 0.1555 0.1729 -0.0043 -0.0102 -0.0090 264 ASN A CA -4618 C C . ASN A 274 ? 0.1783 0.1548 0.1734 -0.0033 -0.0090 -0.0044 264 ASN A C -4619 O O . ASN A 274 ? 0.1962 0.1669 0.1912 -0.0025 -0.0080 -0.0029 264 ASN A O -4620 C CB . ASN A 274 ? 0.1866 0.1606 0.1781 -0.0015 -0.0099 -0.0112 264 ASN A CB -4621 C CG . ASN A 274 ? 0.1889 0.1661 0.1786 -0.0014 -0.0109 -0.0159 264 ASN A CG -4622 O OD1 . ASN A 274 ? 0.2016 0.1861 0.1910 -0.0028 -0.0120 -0.0166 264 ASN A OD1 -4623 N ND2 . ASN A 274 ? 0.2187 0.1908 0.2066 0.0006 -0.0106 -0.0191 264 ASN A ND2 -4630 N N . ILE A 275 ? 0.1646 0.1471 0.1602 -0.0029 -0.0090 -0.0020 265 ILE A N -4631 C CA . ILE A 275 ? 0.1617 0.1438 0.1580 -0.0018 -0.0079 0.0018 265 ILE A CA -4632 C C . ILE A 275 ? 0.1661 0.1503 0.1607 0.0002 -0.0077 0.0036 265 ILE A C -4633 O O . ILE A 275 ? 0.1706 0.1603 0.1652 0.0004 -0.0082 0.0045 265 ILE A O -4634 C CB . ILE A 275 ? 0.1688 0.1556 0.1679 -0.0031 -0.0080 0.0033 265 ILE A CB -4635 C CG1 . ILE A 275 ? 0.1913 0.1763 0.1928 -0.0061 -0.0081 0.0020 265 ILE A CG1 -4636 C CG2 . ILE A 275 ? 0.1949 0.1811 0.1942 -0.0011 -0.0066 0.0068 265 ILE A CG2 -4637 C CD1 . ILE A 275 ? 0.1939 0.1856 0.1993 -0.0081 -0.0082 0.0033 265 ILE A CD1 -4649 N N . PRO A 276 ? 0.1646 0.1449 0.1579 0.0015 -0.0070 0.0042 266 PRO A N -4650 C CA . PRO A 276 ? 0.1736 0.1551 0.1659 0.0024 -0.0066 0.0060 266 PRO A CA -4651 C C . PRO A 276 ? 0.1759 0.1572 0.1688 0.0032 -0.0060 0.0089 266 PRO A C -4652 O O . PRO A 276 ? 0.1799 0.1592 0.1734 0.0036 -0.0054 0.0095 266 PRO A O -4653 C CB . PRO A 276 ? 0.1893 0.1672 0.1806 0.0029 -0.0063 0.0054 266 PRO A CB -4654 C CG . PRO A 276 ? 0.2164 0.1904 0.2078 0.0031 -0.0062 0.0046 266 PRO A CG -4655 C CD . PRO A 276 ? 0.1849 0.1600 0.1775 0.0019 -0.0066 0.0032 266 PRO A CD -4663 N N . ALA A 277 ? 0.1690 0.1519 0.1613 0.0037 -0.0058 0.0109 267 ALA A N -4664 C CA . ALA A 277 ? 0.1609 0.1409 0.1531 0.0051 -0.0049 0.0136 267 ALA A CA -4665 C C . ALA A 277 ? 0.1688 0.1435 0.1599 0.0044 -0.0045 0.0128 267 ALA A C -4666 O O . ALA A 277 ? 0.1848 0.1602 0.1755 0.0032 -0.0046 0.0132 267 ALA A O -4667 C CB . ALA A 277 ? 0.1811 0.1647 0.1730 0.0058 -0.0049 0.0166 267 ALA A CB -4673 N N . THR A 278 ? 0.1765 0.1469 0.1670 0.0049 -0.0042 0.0116 268 THR A N -4674 C CA . THR A 278 ? 0.1785 0.1457 0.1679 0.0040 -0.0044 0.0100 268 THR A CA -4675 C C . THR A 278 ? 0.1824 0.1456 0.1713 0.0033 -0.0041 0.0108 268 THR A C -4676 O O . THR A 278 ? 0.1839 0.1443 0.1726 0.0044 -0.0033 0.0127 268 THR A O -4677 C CB . THR A 278 ? 0.1894 0.1543 0.1777 0.0050 -0.0043 0.0086 268 THR A CB -4678 O OG1 . THR A 278 ? 0.2030 0.1655 0.1908 0.0067 -0.0033 0.0094 268 THR A OG1 -4679 C CG2 A THR A 278 ? 0.1960 0.1633 0.1851 0.0050 -0.0045 0.0080 268 THR A CG2 -4687 N N . THR A 279 ? 0.1906 0.1533 0.1793 0.0015 -0.0047 0.0092 269 THR A N -4688 C CA . THR A 279 ? 0.2040 0.1623 0.1925 -0.0004 -0.0046 0.0092 269 THR A CA -4689 C C . THR A 279 ? 0.2152 0.1666 0.2019 0.0012 -0.0040 0.0085 269 THR A C -4690 O O . THR A 279 ? 0.2251 0.1710 0.2115 0.0008 -0.0033 0.0097 269 THR A O -4691 C CB . THR A 279 ? 0.2231 0.1833 0.2119 -0.0025 -0.0057 0.0067 269 THR A CB -4692 O OG1 . THR A 279 ? 0.2248 0.1919 0.2150 -0.0026 -0.0062 0.0066 269 THR A OG1 -4693 C CG2 . THR A 279 ? 0.2504 0.2078 0.2401 -0.0060 -0.0058 0.0067 269 THR A CG2 -4701 N N . ALA A 280 ? 0.2055 0.1569 0.1906 0.0034 -0.0040 0.0069 270 ALA A N -4702 C CA . ALA A 280 ? 0.2220 0.1677 0.2048 0.0055 -0.0032 0.0058 270 ALA A CA -4703 C C . ALA A 280 ? 0.2371 0.1811 0.2206 0.0081 -0.0018 0.0085 270 ALA A C -4704 O O . ALA A 280 ? 0.2361 0.1737 0.2181 0.0098 -0.0009 0.0081 270 ALA A O -4705 C CB . ALA A 280 ? 0.2215 0.1696 0.2025 0.0073 -0.0032 0.0041 270 ALA A CB -4711 N N . MET A 281 ? 0.2212 0.1709 0.2068 0.0087 -0.0017 0.0110 271 MET A N -4712 C CA . MET A 281 ? 0.2161 0.1660 0.2026 0.0114 -0.0007 0.0140 271 MET A CA -4713 C C . MET A 281 ? 0.2251 0.1701 0.2116 0.0107 -0.0004 0.0163 271 MET A C -4714 O O . MET A 281 ? 0.2606 0.2011 0.2467 0.0137 0.0007 0.0182 271 MET A O -4715 C CB . MET A 281 ? 0.2155 0.1739 0.2043 0.0115 -0.0011 0.0158 271 MET A CB -4716 C CG . MET A 281 ? 0.2383 0.2009 0.2278 0.0120 -0.0010 0.0145 271 MET A CG -4717 S SD . MET A 281 ? 0.2275 0.1892 0.2166 0.0162 0.0007 0.0150 271 MET A SD -4718 C CE . MET A 281 ? 0.2184 0.1896 0.2113 0.0176 0.0007 0.0180 271 MET A CE -4728 N N . GLY A 282 ? 0.2308 0.1765 0.2179 0.0071 -0.0011 0.0164 272 GLY A N -4729 C CA . GLY A 282 ? 0.2395 0.1802 0.2267 0.0056 -0.0005 0.0190 272 GLY A CA -4730 C C . GLY A 282 ? 0.2609 0.1913 0.2468 0.0045 -0.0002 0.0169 272 GLY A C -4731 O O . GLY A 282 ? 0.2908 0.2139 0.2765 0.0041 0.0008 0.0193 272 GLY A O -4735 N N . THR A 283 ? 0.2462 0.1755 0.2308 0.0038 -0.0009 0.0124 273 THR A N -4736 C CA . THR A 283 ? 0.2455 0.1655 0.2282 0.0026 -0.0010 0.0091 273 THR A CA -4737 C C . THR A 283 ? 0.2765 0.1893 0.2570 0.0075 0.0004 0.0087 273 THR A C -4738 O O . THR A 283 ? 0.3105 0.2127 0.2898 0.0074 0.0011 0.0082 273 THR A O -4739 C CB . THR A 283 ? 0.2422 0.1656 0.2237 0.0009 -0.0025 0.0044 273 THR A CB -4740 O OG1 . THR A 283 ? 0.2673 0.1976 0.2512 -0.0029 -0.0037 0.0047 273 THR A OG1 -4741 C CG2 . THR A 283 ? 0.2755 0.1906 0.2546 -0.0004 -0.0030 -0.0001 273 THR A CG2 -4749 N N . ILE A 284 ? 0.2668 0.1849 0.2469 0.0117 0.0010 0.0091 274 ILE A N -4750 C CA . ILE A 284 ? 0.2844 0.1976 0.2624 0.0168 0.0025 0.0082 274 ILE A CA -4751 C C . ILE A 284 ? 0.2702 0.1789 0.2490 0.0204 0.0039 0.0124 274 ILE A C -4752 O O . ILE A 284 ? 0.3168 0.2168 0.2936 0.0242 0.0053 0.0114 274 ILE A O -4753 C CB . ILE A 284 ? 0.2859 0.2076 0.2635 0.0198 0.0029 0.0073 274 ILE A CB -4754 C CG1 . ILE A 284 ? 0.3039 0.2215 0.2788 0.0249 0.0045 0.0051 274 ILE A CG1 -4755 C CG2 . ILE A 284 ? 0.2727 0.2038 0.2537 0.0209 0.0030 0.0115 274 ILE A CG2 -4756 C CD1 . ILE A 284 ? 0.3379 0.2643 0.3124 0.0271 0.0052 0.0044 274 ILE A CD1 -4768 N N . VAL A 285 ? 0.2528 0.1671 0.2343 0.0200 0.0038 0.0173 275 VAL A N -4769 C CA . VAL A 285 ? 0.2597 0.1717 0.2419 0.0240 0.0050 0.0223 275 VAL A CA -4770 C C . VAL A 285 ? 0.2581 0.1706 0.2417 0.0201 0.0045 0.0263 275 VAL A C -4771 O O . VAL A 285 ? 0.2532 0.1748 0.2382 0.0165 0.0033 0.0264 275 VAL A O -4772 C CB . VAL A 285 ? 0.2641 0.1874 0.2481 0.0283 0.0052 0.0247 275 VAL A CB -4773 C CG1 . VAL A 285 ? 0.3478 0.2729 0.3331 0.0318 0.0058 0.0307 275 VAL A CG1 -4774 C CG2 . VAL A 285 ? 0.3150 0.2376 0.2979 0.0330 0.0064 0.0217 275 VAL A CG2 -4784 N N . PRO A 286 ? 0.2528 0.1561 0.2358 0.0211 0.0057 0.0301 276 PRO A N -4785 C CA . PRO A 286 ? 0.2668 0.1724 0.2511 0.0179 0.0057 0.0352 276 PRO A CA -4786 C C . PRO A 286 ? 0.2728 0.1918 0.2583 0.0204 0.0051 0.0391 276 PRO A C -4787 O O . PRO A 286 ? 0.3225 0.2441 0.3081 0.0261 0.0056 0.0415 276 PRO A O -4788 C CB . PRO A 286 ? 0.3126 0.2041 0.2958 0.0196 0.0074 0.0390 276 PRO A CB -4789 C CG . PRO A 286 ? 0.3513 0.2315 0.3325 0.0219 0.0080 0.0339 276 PRO A CG -4790 C CD . PRO A 286 ? 0.2729 0.1627 0.2540 0.0253 0.0073 0.0301 276 PRO A CD -4798 N N . GLY A 287 ? 0.2558 0.1840 0.2423 0.0163 0.0041 0.0393 277 GLY A N -4799 C CA . GLY A 287 ? 0.2635 0.2049 0.2508 0.0181 0.0032 0.0415 277 GLY A CA -4800 C C . GLY A 287 ? 0.2159 0.1653 0.2041 0.0188 0.0019 0.0370 277 GLY A C -4801 O O . GLY A 287 ? 0.2401 0.2000 0.2294 0.0206 0.0011 0.0381 277 GLY A O -4805 N N . GLY A 288 ? 0.2203 0.1653 0.2083 0.0175 0.0018 0.0321 278 GLY A N -4806 C CA . GLY A 288 ? 0.2253 0.1767 0.2142 0.0182 0.0011 0.0287 278 GLY A CA -4807 C C . GLY A 288 ? 0.1961 0.1576 0.1862 0.0155 -0.0003 0.0276 278 GLY A C -4808 O O . GLY A 288 ? 0.1865 0.1552 0.1780 0.0166 -0.0009 0.0268 278 GLY A O -4812 N N . ARG A 289 ? 0.1995 0.1615 0.1892 0.0118 -0.0008 0.0272 279 ARG A N -4813 C CA A ARG A 289 ? 0.1916 0.1625 0.1820 0.0098 -0.0020 0.0256 279 ARG A CA -4814 C CA B ARG A 289 ? 0.1937 0.1645 0.1840 0.0099 -0.0020 0.0256 279 ARG A CA -4815 C C . ARG A 289 ? 0.1928 0.1722 0.1835 0.0115 -0.0026 0.0286 279 ARG A C -4816 O O . ARG A 289 ? 0.2002 0.1868 0.1918 0.0112 -0.0038 0.0266 279 ARG A O -4817 C CB A ARG A 289 ? 0.1935 0.1642 0.1835 0.0063 -0.0022 0.0244 279 ARG A CB -4818 C CB B ARG A 289 ? 0.1948 0.1654 0.1848 0.0063 -0.0022 0.0244 279 ARG A CB -4819 C CG A ARG A 289 ? 0.2181 0.1829 0.2079 0.0045 -0.0023 0.0210 279 ARG A CG -4820 C CG B ARG A 289 ? 0.2212 0.1865 0.2111 0.0046 -0.0023 0.0208 279 ARG A CG -4821 C CD A ARG A 289 ? 0.3104 0.2787 0.3007 0.0016 -0.0029 0.0188 279 ARG A CD -4822 C CD B ARG A 289 ? 0.2061 0.1716 0.1963 0.0013 -0.0024 0.0201 279 ARG A CD -4823 N NE A ARG A 289 ? 0.3123 0.2807 0.3030 -0.0007 -0.0022 0.0214 279 ARG A NE -4824 N NE B ARG A 289 ? 0.2487 0.2105 0.2389 -0.0000 -0.0014 0.0237 279 ARG A NE -4825 C CZ A ARG A 289 ? 0.5802 0.5517 0.5719 -0.0034 -0.0023 0.0203 279 ARG A CZ -4826 C CZ B ARG A 289 ? 0.5959 0.5590 0.5871 -0.0034 -0.0011 0.0244 279 ARG A CZ -4827 N NH1 A ARG A 289 ? 0.2724 0.2466 0.2645 -0.0037 -0.0033 0.0165 279 ARG A NH1 -4828 N NH1 B ARG A 289 ? 0.5596 0.5284 0.5517 -0.0051 -0.0018 0.0216 279 ARG A NH1 -4829 N NH2 A ARG A 289 ? 0.3426 0.3146 0.3350 -0.0058 -0.0013 0.0234 279 ARG A NH2 -4830 N NH2 B ARG A 289 ? 0.5772 0.5360 0.5687 -0.0050 0.0001 0.0284 279 ARG A NH2 -4857 N N . GLU A 290 ? 0.1978 0.1763 0.1876 0.0132 -0.0019 0.0333 280 GLU A N -4858 C CA . GLU A 290 ? 0.1859 0.1735 0.1755 0.0153 -0.0026 0.0366 280 GLU A CA -4859 C C . GLU A 290 ? 0.2022 0.1948 0.1936 0.0183 -0.0033 0.0362 280 GLU A C -4860 O O . GLU A 290 ? 0.2057 0.2086 0.1978 0.0183 -0.0048 0.0355 280 GLU A O -4861 C CB . GLU A 290 ? 0.2246 0.2082 0.2128 0.0172 -0.0012 0.0427 280 GLU A CB -4862 C CG . GLU A 290 ? 0.2715 0.2529 0.2585 0.0138 -0.0004 0.0441 280 GLU A CG -4863 C CD . GLU A 290 ? 0.4171 0.3863 0.4046 0.0112 0.0009 0.0432 280 GLU A CD -4864 O OE1 . GLU A 290 ? 0.2881 0.2514 0.2763 0.0108 0.0007 0.0389 280 GLU A OE1 -4865 O OE2 . GLU A 290 ? 0.3375 0.3035 0.3244 0.0091 0.0022 0.0468 280 GLU A OE2 -4872 N N . ILE A 291 ? 0.1987 0.1847 0.1909 0.0208 -0.0022 0.0363 281 ILE A N -4873 C CA . ILE A 291 ? 0.2013 0.1931 0.1958 0.0238 -0.0025 0.0361 281 ILE A CA -4874 C C . ILE A 291 ? 0.1957 0.1932 0.1920 0.0204 -0.0037 0.0314 281 ILE A C -4875 O O . ILE A 291 ? 0.1884 0.1959 0.1870 0.0204 -0.0049 0.0310 281 ILE A O -4876 C CB . ILE A 291 ? 0.2039 0.1869 0.1984 0.0273 -0.0006 0.0365 281 ILE A CB -4877 C CG1 . ILE A 291 ? 0.2375 0.2139 0.2305 0.0313 0.0006 0.0414 281 ILE A CG1 -4878 C CG2 . ILE A 291 ? 0.2318 0.2222 0.2291 0.0302 -0.0006 0.0359 281 ILE A CG2 -4879 C CD1 . ILE A 291 ? 0.2850 0.2494 0.2770 0.0345 0.0026 0.0406 281 ILE A CD1 -4891 N N . THR A 292 ? 0.1802 0.1713 0.1756 0.0173 -0.0034 0.0279 282 THR A N -4892 C CA . THR A 292 ? 0.1806 0.1747 0.1774 0.0144 -0.0041 0.0240 282 THR A CA -4893 C C . THR A 292 ? 0.1706 0.1726 0.1677 0.0119 -0.0059 0.0226 282 THR A C -4894 O O . THR A 292 ? 0.1824 0.1900 0.1817 0.0102 -0.0069 0.0204 282 THR A O -4895 C CB . THR A 292 ? 0.1654 0.1511 0.1606 0.0124 -0.0035 0.0212 282 THR A CB -4896 O OG1 . THR A 292 ? 0.1847 0.1633 0.1790 0.0148 -0.0020 0.0217 282 THR A OG1 -4897 C CG2 . THR A 292 ? 0.1770 0.1642 0.1733 0.0102 -0.0039 0.0181 282 THR A CG2 -4905 N N . LEU A 293 ? 0.1761 0.1791 0.1711 0.0115 -0.0063 0.0237 283 LEU A N -4906 C CA . LEU A 293 ? 0.1668 0.1780 0.1613 0.0097 -0.0080 0.0220 283 LEU A CA -4907 C C . LEU A 293 ? 0.1803 0.2020 0.1763 0.0112 -0.0094 0.0235 283 LEU A C -4908 O O . LEU A 293 ? 0.1787 0.2078 0.1746 0.0092 -0.0113 0.0208 283 LEU A O -4909 C CB . LEU A 293 ? 0.1852 0.1960 0.1767 0.0095 -0.0076 0.0236 283 LEU A CB -4910 C CG . LEU A 293 ? 0.1790 0.1834 0.1697 0.0073 -0.0069 0.0210 283 LEU A CG -4911 C CD1 . LEU A 293 ? 0.2064 0.2109 0.1950 0.0071 -0.0059 0.0238 283 LEU A CD1 -4912 C CD2 . LEU A 293 ? 0.1966 0.2032 0.1873 0.0052 -0.0080 0.0159 283 LEU A CD2 -4924 N N . ARG A 294 ? 0.1848 0.2077 0.1822 0.0146 -0.0088 0.0273 284 ARG A N -4925 C CA . ARG A 294 ? 0.1892 0.2237 0.1888 0.0164 -0.0103 0.0289 284 ARG A CA -4926 C C . ARG A 294 ? 0.1954 0.2328 0.1993 0.0155 -0.0104 0.0270 284 ARG A C -4927 O O . ARG A 294 ? 0.2075 0.2560 0.2144 0.0165 -0.0117 0.0279 284 ARG A O -4928 C CB . ARG A 294 ? 0.2101 0.2452 0.2090 0.0217 -0.0094 0.0351 284 ARG A CB -4929 C CG . ARG A 294 ? 0.2328 0.2670 0.2276 0.0224 -0.0092 0.0383 284 ARG A CG -4930 C CD . ARG A 294 ? 0.3701 0.4063 0.3643 0.0282 -0.0086 0.0453 284 ARG A CD -4931 N NE . ARG A 294 ? 0.9112 0.9630 0.9062 0.0300 -0.0110 0.0467 284 ARG A NE -4932 C CZ . ARG A 294 ? 1.1207 1.1789 1.1171 0.0354 -0.0112 0.0516 284 ARG A CZ -4933 N NH1 . ARG A 294 ? 0.6382 0.6875 0.6352 0.0400 -0.0090 0.0556 284 ARG A NH1 -4934 N NH2 . ARG A 294 ? 1.2518 1.3260 1.2490 0.0364 -0.0139 0.0522 284 ARG A NH2 -4948 N N . CYS A 295 ? 0.1828 0.2122 0.1873 0.0133 -0.0091 0.0242 285 CYS A N -4949 C CA . CYS A 295 ? 0.1893 0.2208 0.1977 0.0125 -0.0085 0.0232 285 CYS A CA -4950 C C . CYS A 295 ? 0.1881 0.2169 0.1971 0.0073 -0.0090 0.0188 285 CYS A C -4951 O O . CYS A 295 ? 0.1914 0.2182 0.2026 0.0060 -0.0079 0.0181 285 CYS A O -4952 C CB . CYS A 295 ? 0.1979 0.2217 0.2058 0.0158 -0.0060 0.0250 285 CYS A CB -4953 S SG . CYS A 295 ? 0.2270 0.2516 0.2345 0.0227 -0.0049 0.0301 285 CYS A SG -4959 N N . GLY A 296 ? 0.1795 0.2078 0.1864 0.0047 -0.0105 0.0160 286 GLY A N -4960 C CA . GLY A 296 ? 0.1870 0.2125 0.1944 0.0002 -0.0112 0.0116 286 GLY A CA -4961 C C . GLY A 296 ? 0.1730 0.1895 0.1767 -0.0005 -0.0108 0.0094 286 GLY A C -4962 O O . GLY A 296 ? 0.1729 0.1872 0.1765 -0.0034 -0.0116 0.0056 286 GLY A O -4966 N N . ALA A 297 ? 0.1647 0.1758 0.1656 0.0021 -0.0096 0.0114 287 ALA A N -4967 C CA . ALA A 297 ? 0.1688 0.1735 0.1669 0.0015 -0.0093 0.0094 287 ALA A CA -4968 C C . ALA A 297 ? 0.1739 0.1834 0.1698 0.0012 -0.0106 0.0078 287 ALA A C -4969 O O . ALA A 297 ? 0.1777 0.1949 0.1733 0.0021 -0.0115 0.0094 287 ALA A O -4970 C CB . ALA A 297 ? 0.1719 0.1702 0.1684 0.0036 -0.0077 0.0118 287 ALA A CB -4976 N N . ASN A 298 ? 0.1605 0.1662 0.1546 0.0003 -0.0105 0.0047 288 ASN A N -4977 C CA . ASN A 298 ? 0.1659 0.1763 0.1574 0.0002 -0.0114 0.0023 288 ASN A CA -4978 C C . ASN A 298 ? 0.1668 0.1733 0.1563 0.0010 -0.0103 0.0016 288 ASN A C -4979 O O . ASN A 298 ? 0.1791 0.1894 0.1664 0.0013 -0.0107 -0.0011 288 ASN A O -4980 C CB . ASN A 298 ? 0.1691 0.1818 0.1610 -0.0021 -0.0131 -0.0027 288 ASN A CB -4981 C CG . ASN A 298 ? 0.1704 0.1745 0.1628 -0.0033 -0.0127 -0.0061 288 ASN A CG -4982 O OD1 . ASN A 298 ? 0.1726 0.1704 0.1667 -0.0033 -0.0115 -0.0042 288 ASN A OD1 -4983 N ND2 . ASN A 298 ? 0.1893 0.1922 0.1798 -0.0038 -0.0134 -0.0110 288 ASN A ND2 -4990 N N . VAL A 299 ? 0.1661 0.1665 0.1562 0.0016 -0.0090 0.0035 289 VAL A N -4991 C CA . VAL A 299 ? 0.1700 0.1679 0.1591 0.0022 -0.0082 0.0028 289 VAL A CA -4992 C C . VAL A 299 ? 0.1703 0.1661 0.1598 0.0025 -0.0071 0.0067 289 VAL A C -4993 O O . VAL A 299 ? 0.1709 0.1635 0.1614 0.0026 -0.0068 0.0089 289 VAL A O -4994 C CB . VAL A 299 ? 0.1820 0.1736 0.1717 0.0021 -0.0082 0.0000 289 VAL A CB -4995 C CG1 . VAL A 299 ? 0.2014 0.1913 0.1907 0.0032 -0.0074 -0.0001 289 VAL A CG1 -4996 C CG2 . VAL A 299 ? 0.2091 0.2008 0.1983 0.0016 -0.0091 -0.0042 289 VAL A CG2 -5006 N N . ILE A 300 ? 0.1678 0.1655 0.1566 0.0024 -0.0064 0.0075 290 ILE A N -5007 C CA . ILE A 300 ? 0.1878 0.1825 0.1774 0.0017 -0.0054 0.0106 290 ILE A CA -5008 C C . ILE A 300 ? 0.1790 0.1743 0.1691 0.0013 -0.0051 0.0089 290 ILE A C -5009 O O . ILE A 300 ? 0.1871 0.1872 0.1766 0.0020 -0.0051 0.0068 290 ILE A O -5010 C CB . ILE A 300 ? 0.2087 0.2065 0.1977 0.0016 -0.0047 0.0148 290 ILE A CB -5011 C CG1 . ILE A 300 ? 0.2741 0.2656 0.2640 0.0005 -0.0038 0.0176 290 ILE A CG1 -5012 C CG2 . ILE A 300 ? 0.2250 0.2305 0.2127 0.0014 -0.0042 0.0151 290 ILE A CG2 -5013 C CD1 . ILE A 300 ? 0.3530 0.3428 0.3425 0.0012 -0.0031 0.0220 290 ILE A CD1 -5025 N N . MET A 301 ? 0.1750 0.1658 0.1661 0.0004 -0.0050 0.0094 291 MET A N -5026 C CA A MET A 301 ? 0.1861 0.1781 0.1782 0.0001 -0.0051 0.0077 291 MET A CA -5027 C CA B MET A 301 ? 0.2093 0.2015 0.2014 0.0001 -0.0051 0.0077 291 MET A CA -5028 C C . MET A 301 ? 0.1841 0.1765 0.1776 -0.0025 -0.0045 0.0099 291 MET A C -5029 O O . MET A 301 ? 0.2218 0.2094 0.2158 -0.0035 -0.0050 0.0095 291 MET A O -5030 C CB A MET A 301 ? 0.1812 0.1686 0.1731 0.0014 -0.0059 0.0054 291 MET A CB -5031 C CB B MET A 301 ? 0.2059 0.1935 0.1978 0.0013 -0.0059 0.0055 291 MET A CB -5032 C CG A MET A 301 ? 0.1660 0.1512 0.1569 0.0030 -0.0063 0.0039 291 MET A CG -5033 C CG B MET A 301 ? 0.3688 0.3550 0.3599 0.0031 -0.0063 0.0035 291 MET A CG -5034 S SD A MET A 301 ? 0.2206 0.1998 0.2110 0.0044 -0.0067 0.0026 291 MET A SD -5035 S SD B MET A 301 ? 0.2158 0.1987 0.2067 0.0049 -0.0068 0.0018 291 MET A SD -5036 C CE A MET A 301 ? 0.2653 0.2474 0.2558 0.0065 -0.0070 0.0004 291 MET A CE -5037 C CE B MET A 301 ? 0.3505 0.3277 0.3405 0.0056 -0.0069 0.0011 291 MET A CE -5056 N N . PRO A 302 ? 0.1927 0.1906 0.1869 -0.0038 -0.0035 0.0121 292 PRO A N -5057 C CA . PRO A 302 ? 0.2030 0.2006 0.1991 -0.0072 -0.0029 0.0144 292 PRO A CA -5058 C C . PRO A 302 ? 0.1871 0.1870 0.1855 -0.0085 -0.0037 0.0121 292 PRO A C -5059 O O . PRO A 302 ? 0.2039 0.2095 0.2028 -0.0065 -0.0041 0.0097 292 PRO A O -5060 C CB . PRO A 302 ? 0.2275 0.2329 0.2239 -0.0081 -0.0014 0.0174 292 PRO A CB -5061 C CG . PRO A 302 ? 0.1960 0.2079 0.1910 -0.0049 -0.0016 0.0148 292 PRO A CG -5062 C CD . PRO A 302 ? 0.1791 0.1846 0.1723 -0.0025 -0.0029 0.0122 292 PRO A CD -5070 N N A ASN A 303 ? 0.2118 0.2076 0.2116 -0.0118 -0.0039 0.0126 293 ASN A N -5071 N N B ASN A 303 ? 0.1759 0.1712 0.1756 -0.0116 -0.0040 0.0125 293 ASN A N -5072 C CA A ASN A 303 ? 0.1882 0.1870 0.1902 -0.0136 -0.0051 0.0103 293 ASN A CA -5073 C CA B ASN A 303 ? 0.1714 0.1702 0.1734 -0.0136 -0.0050 0.0104 293 ASN A CA -5074 C C A ASN A 303 ? 0.1722 0.1809 0.1780 -0.0166 -0.0043 0.0118 293 ASN A C -5075 C C B ASN A 303 ? 0.1673 0.1764 0.1728 -0.0162 -0.0040 0.0121 293 ASN A C -5076 O O A ASN A 303 ? 0.1816 0.1895 0.1891 -0.0208 -0.0031 0.0149 293 ASN A O -5077 O O B ASN A 303 ? 0.1799 0.1894 0.1865 -0.0192 -0.0025 0.0156 293 ASN A O -5078 C CB A ASN A 303 ? 0.1839 0.1740 0.1855 -0.0162 -0.0060 0.0094 293 ASN A CB -5079 C CB B ASN A 303 ? 0.2636 0.2545 0.2658 -0.0169 -0.0058 0.0099 293 ASN A CB -5080 C CG A ASN A 303 ? 0.3814 0.3754 0.3852 -0.0186 -0.0077 0.0065 293 ASN A CG -5081 C CG B ASN A 303 ? 0.1719 0.1668 0.1760 -0.0186 -0.0076 0.0068 293 ASN A CG -5082 O OD1 A ASN A 303 ? 0.2058 0.2093 0.2115 -0.0175 -0.0083 0.0055 293 ASN A OD1 -5083 O OD1 B ASN A 303 ? 0.1810 0.1833 0.1885 -0.0217 -0.0076 0.0071 293 ASN A OD1 -5084 N ND2 A ASN A 303 ? 0.2245 0.2113 0.2277 -0.0215 -0.0086 0.0050 293 ASN A ND2 -5085 N ND2 B ASN A 303 ? 0.2956 0.2866 0.2971 -0.0161 -0.0090 0.0040 293 ASN A ND2 -5098 N N . TRP A 304 ? 0.1706 0.1884 0.1778 -0.0145 -0.0047 0.0100 294 TRP A N -5099 C CA . TRP A 304 ? 0.1668 0.1967 0.1779 -0.0163 -0.0037 0.0111 294 TRP A CA -5100 C C . TRP A 304 ? 0.1757 0.2116 0.1906 -0.0185 -0.0053 0.0091 294 TRP A C -5101 O O . TRP A 304 ? 0.2091 0.2572 0.2277 -0.0189 -0.0048 0.0094 294 TRP A O -5102 C CB . TRP A 304 ? 0.1694 0.2063 0.1791 -0.0112 -0.0026 0.0104 294 TRP A CB -5103 C CG . TRP A 304 ? 0.1723 0.2221 0.1849 -0.0122 -0.0007 0.0123 294 TRP A CG -5104 C CD1 . TRP A 304 ? 0.1701 0.2315 0.1854 -0.0099 -0.0005 0.0108 294 TRP A CD1 -5105 C CD2 . TRP A 304 ? 0.1750 0.2277 0.1882 -0.0156 0.0015 0.0166 294 TRP A CD2 -5106 N NE1 . TRP A 304 ? 0.1900 0.2625 0.2076 -0.0118 0.0019 0.0137 294 TRP A NE1 -5107 C CE2 . TRP A 304 ? 0.1891 0.2561 0.2052 -0.0153 0.0032 0.0175 294 TRP A CE2 -5108 C CE3 . TRP A 304 ? 0.1812 0.2257 0.1923 -0.0182 0.0023 0.0202 294 TRP A CE3 -5109 C CZ2 . TRP A 304 ? 0.2084 0.2821 0.2251 -0.0180 0.0059 0.0220 294 TRP A CZ2 -5110 C CZ3 . TRP A 304 ? 0.2150 0.2656 0.2269 -0.0207 0.0048 0.0250 294 TRP A CZ3 -5111 C CH2 . TRP A 304 ? 0.2054 0.2704 0.2199 -0.0207 0.0066 0.0259 294 TRP A CH2 -5123 N N . THR A 305 ? 0.1734 0.2023 0.1874 -0.0197 -0.0073 0.0070 295 THR A N -5124 C CA . THR A 305 ? 0.1683 0.2041 0.1857 -0.0222 -0.0092 0.0049 295 THR A CA -5125 C C . THR A 305 ? 0.1717 0.2118 0.1940 -0.0297 -0.0086 0.0068 295 THR A C -5126 O O . THR A 305 ? 0.1794 0.2100 0.2009 -0.0336 -0.0076 0.0087 295 THR A O -5127 C CB . THR A 305 ? 0.1705 0.1972 0.1848 -0.0220 -0.0115 0.0020 295 THR A CB -5128 O OG1 . THR A 305 ? 0.1697 0.1914 0.1796 -0.0158 -0.0116 0.0012 295 THR A OG1 -5129 C CG2 . THR A 305 ? 0.1764 0.2111 0.1934 -0.0239 -0.0140 -0.0007 295 THR A CG2 -5137 N N . PRO A 306 ? 0.1712 0.2252 0.1988 -0.0318 -0.0089 0.0067 296 PRO A N -5138 C CA . PRO A 306 ? 0.1759 0.2346 0.2089 -0.0397 -0.0079 0.0090 296 PRO A CA -5139 C C . PRO A 306 ? 0.1819 0.2352 0.2165 -0.0461 -0.0103 0.0064 296 PRO A C -5140 O O . PRO A 306 ? 0.1854 0.2373 0.2181 -0.0443 -0.0132 0.0022 296 PRO A O -5141 C CB . PRO A 306 ? 0.1984 0.2763 0.2368 -0.0389 -0.0073 0.0097 296 PRO A CB -5142 C CG . PRO A 306 ? 0.1975 0.2794 0.2342 -0.0320 -0.0098 0.0058 296 PRO A CG -5143 C CD . PRO A 306 ? 0.1698 0.2366 0.1991 -0.0268 -0.0097 0.0051 296 PRO A CD -5151 N N . SER A 307 ? 0.1886 0.2390 0.2266 -0.0538 -0.0091 0.0088 297 SER A N -5152 C CA . SER A 307 ? 0.1957 0.2449 0.2372 -0.0616 -0.0113 0.0060 297 SER A CA -5153 C C . SER A 307 ? 0.1956 0.2637 0.2428 -0.0626 -0.0134 0.0037 297 SER A C -5154 O O . SER A 307 ? 0.2181 0.3009 0.2689 -0.0605 -0.0118 0.0064 297 SER A O -5155 C CB . SER A 307 ? 0.2453 0.2908 0.2909 -0.0701 -0.0090 0.0101 297 SER A CB -5156 O OG . SER A 307 ? 0.3112 0.3406 0.3519 -0.0684 -0.0068 0.0131 297 SER A OG -5162 N N . PRO A 308 ? 0.1989 0.2686 0.2472 -0.0658 -0.0170 -0.0011 298 PRO A N -5163 C CA . PRO A 308 ? 0.2139 0.2687 0.2586 -0.0692 -0.0192 -0.0054 298 PRO A CA -5164 C C . PRO A 308 ? 0.2148 0.2626 0.2519 -0.0612 -0.0210 -0.0088 298 PRO A C -5165 O O . PRO A 308 ? 0.2480 0.2865 0.2814 -0.0627 -0.0233 -0.0134 298 PRO A O -5166 C CB . PRO A 308 ? 0.2489 0.3152 0.2998 -0.0770 -0.0223 -0.0090 298 PRO A CB -5167 C CG . PRO A 308 ? 0.2238 0.3106 0.2778 -0.0717 -0.0235 -0.0089 298 PRO A CG -5168 C CD . PRO A 308 ? 0.2141 0.3042 0.2688 -0.0672 -0.0192 -0.0029 298 PRO A CD -5176 N N . TYR A 309 ? 0.1916 0.2436 0.2260 -0.0528 -0.0200 -0.0069 299 TYR A N -5177 C CA . TYR A 309 ? 0.1953 0.2428 0.2233 -0.0453 -0.0215 -0.0094 299 TYR A CA -5178 C C . TYR A 309 ? 0.2018 0.2320 0.2235 -0.0423 -0.0198 -0.0086 299 TYR A C -5179 O O . TYR A 309 ? 0.2111 0.2344 0.2274 -0.0388 -0.0212 -0.0114 299 TYR A O -5180 C CB . TYR A 309 ? 0.1805 0.2395 0.2088 -0.0375 -0.0211 -0.0077 299 TYR A CB -5181 C CG . TYR A 309 ? 0.1895 0.2676 0.2248 -0.0392 -0.0221 -0.0075 299 TYR A CG -5182 C CD1 . TYR A 309 ? 0.2034 0.2910 0.2415 -0.0426 -0.0255 -0.0109 299 TYR A CD1 -5183 C CD2 . TYR A 309 ? 0.2064 0.2942 0.2454 -0.0372 -0.0195 -0.0040 299 TYR A CD2 -5184 C CE1 . TYR A 309 ? 0.2041 0.3117 0.2497 -0.0441 -0.0265 -0.0105 299 TYR A CE1 -5185 C CE2 . TYR A 309 ? 0.2062 0.3132 0.2522 -0.0382 -0.0201 -0.0037 299 TYR A CE2 -5186 C CZ . TYR A 309 ? 0.1991 0.3158 0.2484 -0.0415 -0.0236 -0.0067 299 TYR A CZ -5187 O OH . TYR A 309 ? 0.2540 0.3913 0.3108 -0.0425 -0.0243 -0.0062 299 TYR A OH -5197 N N . ARG A 310 ? 0.1933 0.2172 0.2153 -0.0430 -0.0167 -0.0046 300 ARG A N -5198 C CA . ARG A 310 ? 0.2123 0.2224 0.2286 -0.0389 -0.0151 -0.0033 300 ARG A CA -5199 C C . ARG A 310 ? 0.2111 0.2084 0.2232 -0.0400 -0.0163 -0.0069 300 ARG A C -5200 O O . ARG A 310 ? 0.2216 0.2121 0.2286 -0.0346 -0.0162 -0.0077 300 ARG A O -5201 C CB . ARG A 310 ? 0.2212 0.2274 0.2385 -0.0400 -0.0118 0.0017 300 ARG A CB -5202 C CG . ARG A 310 ? 0.2445 0.2465 0.2651 -0.0475 -0.0110 0.0033 300 ARG A CG -5203 C CD . ARG A 310 ? 0.2835 0.2820 0.3042 -0.0476 -0.0076 0.0093 300 ARG A CD -5204 N NE . ARG A 310 ? 0.3274 0.3209 0.3516 -0.0554 -0.0067 0.0114 300 ARG A NE -5205 C CZ . ARG A 310 ? 0.8717 0.8596 0.8962 -0.0573 -0.0038 0.0170 300 ARG A CZ -5206 N NH1 . ARG A 310 ? 0.3791 0.3661 0.4002 -0.0516 -0.0020 0.0206 300 ARG A NH1 -5207 N NH2 . ARG A 310 ? 0.4364 0.4193 0.4645 -0.0649 -0.0029 0.0191 300 ARG A NH2 -5221 N N . GLN A 311 ? 0.2129 0.2064 0.2273 -0.0469 -0.0172 -0.0089 301 GLN A N -5222 C CA . GLN A 311 ? 0.2363 0.2164 0.2464 -0.0480 -0.0182 -0.0128 301 GLN A CA -5223 C C . GLN A 311 ? 0.2431 0.2266 0.2494 -0.0448 -0.0211 -0.0179 301 GLN A C -5224 O O . GLN A 311 ? 0.2690 0.2418 0.2702 -0.0435 -0.0216 -0.0213 301 GLN A O -5225 C CB . GLN A 311 ? 0.2646 0.2390 0.2781 -0.0568 -0.0186 -0.0142 301 GLN A CB -5226 C CG . GLN A 311 ? 0.3044 0.2915 0.3236 -0.0632 -0.0210 -0.0166 301 GLN A CG -5227 C CD . GLN A 311 ? 0.7960 0.7925 0.8223 -0.0677 -0.0191 -0.0114 301 GLN A CD -5228 O OE1 . GLN A 311 ? 0.3161 0.3182 0.3428 -0.0632 -0.0169 -0.0067 301 GLN A OE1 -5229 N NE2 . GLN A 311 ? 0.4145 0.4132 0.4465 -0.0770 -0.0200 -0.0125 301 GLN A NE2 -5238 N N . LEU A 312 ? 0.2058 0.2039 0.2140 -0.0430 -0.0229 -0.0184 302 LEU A N -5239 C CA . LEU A 312 ? 0.2060 0.2089 0.2104 -0.0398 -0.0258 -0.0225 302 LEU A CA -5240 C C . LEU A 312 ? 0.1994 0.2010 0.1988 -0.0312 -0.0247 -0.0205 302 LEU A C -5241 O O . LEU A 312 ? 0.2006 0.2042 0.1956 -0.0278 -0.0266 -0.0232 302 LEU A O -5242 C CB . LEU A 312 ? 0.2042 0.2245 0.2135 -0.0420 -0.0286 -0.0238 302 LEU A CB -5243 C CG . LEU A 312 ? 0.2111 0.2347 0.2261 -0.0513 -0.0299 -0.0259 302 LEU A CG -5244 C CD1 . LEU A 312 ? 0.2221 0.2656 0.2428 -0.0529 -0.0326 -0.0267 302 LEU A CD1 -5245 C CD2 . LEU A 312 ? 0.2461 0.2590 0.2574 -0.0554 -0.0317 -0.0317 302 LEU A CD2 -5257 N N . TYR A 313 ? 0.1993 0.1975 0.1989 -0.0279 -0.0219 -0.0161 303 TYR A N -5258 C CA . TYR A 313 ? 0.1884 0.1848 0.1839 -0.0207 -0.0209 -0.0144 303 TYR A CA -5259 C C . TYR A 313 ? 0.1920 0.1754 0.1825 -0.0191 -0.0195 -0.0150 303 TYR A C -5260 O O . TYR A 313 ? 0.2022 0.1794 0.1920 -0.0168 -0.0172 -0.0121 303 TYR A O -5261 C CB . TYR A 313 ? 0.1979 0.1986 0.1960 -0.0180 -0.0189 -0.0102 303 TYR A CB -5262 C CG . TYR A 313 ? 0.1782 0.1793 0.1732 -0.0114 -0.0185 -0.0089 303 TYR A CG -5263 C CD1 . TYR A 313 ? 0.1753 0.1852 0.1703 -0.0080 -0.0200 -0.0091 303 TYR A CD1 -5264 C CD2 . TYR A 313 ? 0.2006 0.1933 0.1931 -0.0087 -0.0164 -0.0069 303 TYR A CD2 -5265 C CE1 . TYR A 313 ? 0.1728 0.1815 0.1651 -0.0022 -0.0193 -0.0073 303 TYR A CE1 -5266 C CE2 . TYR A 313 ? 0.2206 0.2133 0.2109 -0.0036 -0.0158 -0.0055 303 TYR A CE2 -5267 C CZ . TYR A 313 ? 0.2110 0.2106 0.2013 -0.0006 -0.0171 -0.0055 303 TYR A CZ -5268 O OH . TYR A 313 ? 0.2561 0.2544 0.2443 0.0043 -0.0164 -0.0037 303 TYR A OH -5278 N N . GLN A 314 ? 0.1989 0.1793 0.1859 -0.0201 -0.0212 -0.0193 304 GLN A N -5279 C CA . GLN A 314 ? 0.2358 0.2039 0.2186 -0.0196 -0.0201 -0.0212 304 GLN A CA -5280 C C . GLN A 314 ? 0.2179 0.1840 0.1952 -0.0132 -0.0192 -0.0208 304 GLN A C -5281 O O . GLN A 314 ? 0.2295 0.1943 0.2020 -0.0119 -0.0203 -0.0245 304 GLN A O -5282 C CB A GLN A 314 ? 0.2359 0.2003 0.2177 -0.0246 -0.0222 -0.0269 304 GLN A CB -5283 C CG A GLN A 314 ? 0.3317 0.2943 0.3189 -0.0317 -0.0223 -0.0268 304 GLN A CG -5284 C CD A GLN A 314 ? 0.9501 0.9076 0.9361 -0.0372 -0.0246 -0.0331 304 GLN A CD -5285 O OE1 A GLN A 314 ? 0.4344 0.3846 0.4146 -0.0350 -0.0250 -0.0374 304 GLN A OE1 -5286 N NE2 A GLN A 314 ? 0.4181 0.3800 0.4097 -0.0445 -0.0260 -0.0340 304 GLN A NE2 -5295 N N . LEU A 315 ? 0.2175 0.1841 0.1955 -0.0095 -0.0172 -0.0164 305 LEU A N -5296 C CA . LEU A 315 ? 0.2155 0.1808 0.1892 -0.0041 -0.0160 -0.0152 305 LEU A CA -5297 C C . LEU A 315 ? 0.2304 0.1867 0.2002 -0.0031 -0.0148 -0.0175 305 LEU A C -5298 O O . LEU A 315 ? 0.2201 0.1765 0.1850 0.0001 -0.0148 -0.0190 305 LEU A O -5299 C CB . LEU A 315 ? 0.2135 0.1787 0.1893 -0.0017 -0.0140 -0.0106 305 LEU A CB -5300 C CG . LEU A 315 ? 0.2144 0.1872 0.1938 -0.0015 -0.0145 -0.0084 305 LEU A CG -5301 C CD1 . LEU A 315 ? 0.2196 0.1903 0.2005 0.0003 -0.0124 -0.0049 305 LEU A CD1 -5302 C CD2 . LEU A 315 ? 0.2292 0.2085 0.2066 0.0012 -0.0161 -0.0086 305 LEU A CD2 -5314 N N . TYR A 316 ? 0.2143 0.1629 0.1858 -0.0054 -0.0137 -0.0173 306 TYR A N -5315 C CA . TYR A 316 ? 0.2438 0.1828 0.2123 -0.0038 -0.0122 -0.0191 306 TYR A CA -5316 C C . TYR A 316 ? 0.2340 0.1651 0.2050 -0.0082 -0.0121 -0.0198 306 TYR A C -5317 O O . TYR A 316 ? 0.2497 0.1834 0.2254 -0.0117 -0.0122 -0.0171 306 TYR A O -5318 C CB . TYR A 316 ? 0.2361 0.1734 0.2042 0.0008 -0.0095 -0.0152 306 TYR A CB -5319 C CG . TYR A 316 ? 0.2154 0.1556 0.1881 0.0003 -0.0086 -0.0103 306 TYR A CG -5320 C CD1 . TYR A 316 ? 0.2383 0.1739 0.2139 -0.0015 -0.0077 -0.0082 306 TYR A CD1 -5321 C CD2 . TYR A 316 ? 0.2058 0.1532 0.1796 0.0018 -0.0087 -0.0079 306 TYR A CD2 -5322 C CE1 . TYR A 316 ? 0.2262 0.1658 0.2053 -0.0017 -0.0070 -0.0041 306 TYR A CE1 -5323 C CE2 . TYR A 316 ? 0.2186 0.1687 0.1961 0.0013 -0.0080 -0.0044 306 TYR A CE2 -5324 C CZ . TYR A 316 ? 0.1919 0.1387 0.1717 -0.0005 -0.0073 -0.0027 306 TYR A CZ -5325 O OH . TYR A 316 ? 0.2356 0.1860 0.2184 -0.0007 -0.0067 0.0005 306 TYR A OH -5335 N N . PRO A 317 ? 0.2537 0.1749 0.2217 -0.0078 -0.0115 -0.0232 307 PRO A N -5336 C CA . PRO A 317 ? 0.2676 0.1792 0.2378 -0.0120 -0.0112 -0.0236 307 PRO A CA -5337 C C . PRO A 317 ? 0.2680 0.1769 0.2416 -0.0110 -0.0089 -0.0173 307 PRO A C -5338 O O . PRO A 317 ? 0.2844 0.1950 0.2574 -0.0059 -0.0071 -0.0141 307 PRO A O -5339 C CB . PRO A 317 ? 0.3082 0.2088 0.2732 -0.0100 -0.0108 -0.0289 307 PRO A CB -5340 C CG . PRO A 317 ? 0.3448 0.2495 0.3056 -0.0035 -0.0097 -0.0290 307 PRO A CG -5341 C CD . PRO A 317 ? 0.2742 0.1922 0.2362 -0.0034 -0.0110 -0.0269 307 PRO A CD -5349 N N . GLY A 318 ? 0.2865 0.1916 0.2637 -0.0161 -0.0089 -0.0157 308 GLY A N -5350 C CA . GLY A 318 ? 0.2856 0.1885 0.2658 -0.0155 -0.0068 -0.0094 308 GLY A CA -5351 C C . GLY A 318 ? 0.2800 0.1947 0.2634 -0.0153 -0.0067 -0.0051 308 GLY A C -5352 O O . GLY A 318 ? 0.2814 0.1958 0.2667 -0.0147 -0.0051 0.0000 308 GLY A O -5356 N N . LYS A 319 ? 0.2855 0.2105 0.2692 -0.0154 -0.0083 -0.0068 309 LYS A N -5357 C CA . LYS A 319 ? 0.2654 0.2008 0.2516 -0.0144 -0.0081 -0.0033 309 LYS A CA -5358 C C . LYS A 319 ? 0.2980 0.2368 0.2885 -0.0188 -0.0077 -0.0001 309 LYS A C -5359 O O . LYS A 319 ? 0.2765 0.2197 0.2684 -0.0174 -0.0066 0.0039 309 LYS A O -5360 C CB . LYS A 319 ? 0.2467 0.1908 0.2323 -0.0137 -0.0099 -0.0059 309 LYS A CB -5361 C CG . LYS A 319 ? 0.2528 0.2063 0.2407 -0.0121 -0.0097 -0.0029 309 LYS A CG -5362 C CD . LYS A 319 ? 0.2719 0.2328 0.2591 -0.0105 -0.0113 -0.0048 309 LYS A CD -5363 C CE . LYS A 319 ? 0.2615 0.2302 0.2509 -0.0089 -0.0110 -0.0024 309 LYS A CE -5364 N NZ . LYS A 319 ? 0.2945 0.2680 0.2880 -0.0124 -0.0107 -0.0008 309 LYS A NZ -5378 N N . ILE A 320 ? 0.3347 0.2723 0.3273 -0.0243 -0.0087 -0.0019 310 ILE A N -5379 C CA . ILE A 320 ? 0.3092 0.2526 0.3063 -0.0292 -0.0084 0.0009 310 ILE A CA -5380 C C . ILE A 320 ? 0.3376 0.2703 0.3357 -0.0328 -0.0069 0.0034 310 ILE A C -5381 O O . ILE A 320 ? 0.3973 0.3191 0.3935 -0.0343 -0.0073 0.0002 310 ILE A O -5382 C CB . ILE A 320 ? 0.3224 0.2743 0.3221 -0.0334 -0.0108 -0.0029 310 ILE A CB -5383 C CG1 . ILE A 320 ? 0.4211 0.3826 0.4193 -0.0288 -0.0122 -0.0047 310 ILE A CG1 -5384 C CG2 . ILE A 320 ? 0.3470 0.3067 0.3523 -0.0387 -0.0102 0.0001 310 ILE A CG2 -5385 C CD1 . ILE A 320 ? 0.4189 0.3798 0.4141 -0.0281 -0.0145 -0.0101 310 ILE A CD1 -5397 N N . SER A 321 ? 0.3016 0.2364 0.3021 -0.0340 -0.0050 0.0090 311 SER A N -5398 C CA . SER A 321 ? 0.3549 0.2812 0.3573 -0.0389 -0.0034 0.0123 311 SER A CA -5399 C C . SER A 321 ? 0.2803 0.2158 0.2881 -0.0459 -0.0037 0.0133 311 SER A C -5400 O O . SER A 321 ? 0.3617 0.3110 0.3716 -0.0451 -0.0035 0.0151 311 SER A O -5401 C CB . SER A 321 ? 0.3374 0.2605 0.3389 -0.0358 -0.0009 0.0192 311 SER A CB -5402 O OG . SER A 321 ? 0.3649 0.2790 0.3683 -0.0407 0.0007 0.0228 311 SER A OG -5408 N N . VAL A 322 ? 0.3160 0.2439 0.3260 -0.0525 -0.0039 0.0122 312 VAL A N -5409 C CA . VAL A 322 ? 0.3226 0.2593 0.3386 -0.0603 -0.0039 0.0137 312 VAL A CA -5410 C C . VAL A 322 ? 0.2986 0.2280 0.3170 -0.0649 -0.0010 0.0205 312 VAL A C -5411 O O . VAL A 322 ? 0.3067 0.2406 0.3303 -0.0725 -0.0005 0.0221 312 VAL A O -5412 C CB . VAL A 322 ? 0.5263 0.4640 0.5445 -0.0662 -0.0068 0.0068 312 VAL A CB -5413 C CG1 . VAL A 322 ? 0.4955 0.4456 0.5124 -0.0618 -0.0095 0.0020 312 VAL A CG1 -5414 C CG2 . VAL A 322 ? 0.3702 0.2892 0.3852 -0.0678 -0.0074 0.0029 312 VAL A CG2 -5424 N N . PHE A 323 ? 0.3257 0.2452 0.3403 -0.0600 0.0012 0.0251 313 PHE A N -5425 C CA . PHE A 323 ? 0.3413 0.2527 0.3572 -0.0633 0.0041 0.0324 313 PHE A CA -5426 C C . PHE A 323 ? 0.3420 0.2680 0.3609 -0.0644 0.0063 0.0393 313 PHE A C -5427 O O . PHE A 323 ? 0.4202 0.3427 0.4416 -0.0695 0.0087 0.0457 313 PHE A O -5428 C CB . PHE A 323 ? 0.4254 0.3224 0.4361 -0.0564 0.0055 0.0351 313 PHE A CB -5429 C CG . PHE A 323 ? 0.4076 0.2847 0.4180 -0.0599 0.0067 0.0364 313 PHE A CG -5430 C CD1 . PHE A 323 ? 0.4689 0.3356 0.4796 -0.0643 0.0048 0.0293 313 PHE A CD1 -5431 C CD2 . PHE A 323 ? 0.4522 0.3204 0.4614 -0.0581 0.0096 0.0447 313 PHE A CD2 -5432 C CE1 . PHE A 323 ? 0.5133 0.3599 0.5235 -0.0676 0.0060 0.0300 313 PHE A CE1 -5433 C CE2 . PHE A 323 ? 0.5543 0.4027 0.5631 -0.0608 0.0110 0.0463 313 PHE A CE2 -5434 C CZ . PHE A 323 ? 0.6067 0.4437 0.6161 -0.0657 0.0092 0.0386 313 PHE A CZ -5444 N N . GLU A 324 ? 0.3261 0.2677 0.3445 -0.0599 0.0056 0.0383 314 GLU A N -5445 C CA . GLU A 324 ? 0.3179 0.2745 0.3384 -0.0602 0.0077 0.0439 314 GLU A CA -5446 C C . GLU A 324 ? 0.3257 0.2997 0.3502 -0.0621 0.0062 0.0399 314 GLU A C -5447 O O . GLU A 324 ? 0.3157 0.2911 0.3402 -0.0612 0.0034 0.0331 314 GLU A O -5448 C CB . GLU A 324 ? 0.3610 0.3209 0.3766 -0.0518 0.0086 0.0470 314 GLU A CB -5449 C CG . GLU A 324 ? 0.6841 0.6291 0.6954 -0.0480 0.0098 0.0512 314 GLU A CG -5450 C CD . GLU A 324 ? 1.0737 1.0128 1.0864 -0.0524 0.0129 0.0596 314 GLU A CD -5451 O OE1 . GLU A 324 ? 1.3080 1.2588 1.3237 -0.0562 0.0147 0.0639 314 GLU A OE1 -5452 O OE2 . GLU A 324 ? 1.0843 1.0070 1.0951 -0.0517 0.0136 0.0621 314 GLU A OE2 -5459 N N . LYS A 325 ? 0.3197 0.3074 0.3475 -0.0643 0.0084 0.0446 315 LYS A N -5460 C CA . LYS A 325 ? 0.3132 0.3192 0.3448 -0.0648 0.0075 0.0416 315 LYS A CA -5461 C C . LYS A 325 ? 0.2597 0.2711 0.2873 -0.0563 0.0056 0.0367 315 LYS A C -5462 O O . LYS A 325 ? 0.2676 0.2731 0.2899 -0.0502 0.0058 0.0373 315 LYS A O -5463 C CB . LYS A 325 ? 0.3798 0.4000 0.4144 -0.0670 0.0108 0.0482 315 LYS A CB -5464 C CG . LYS A 325 ? 0.9084 0.9320 0.9378 -0.0602 0.0130 0.0525 315 LYS A CG -5465 C CD . LYS A 325 ? 0.8063 0.8433 0.8384 -0.0632 0.0166 0.0596 315 LYS A CD -5472 N N . ASP A 326 ? 0.2346 0.2573 0.2651 -0.0560 0.0037 0.0318 316 ASP A N -5473 C CA . ASP A 326 ? 0.2141 0.2399 0.2412 -0.0487 0.0018 0.0270 316 ASP A CA -5474 C C . ASP A 326 ? 0.2243 0.2592 0.2489 -0.0425 0.0034 0.0287 316 ASP A C -5475 O O . ASP A 326 ? 0.2423 0.2784 0.2640 -0.0365 0.0020 0.0250 316 ASP A O -5476 C CB . ASP A 326 ? 0.2028 0.2363 0.2332 -0.0498 -0.0010 0.0217 316 ASP A CB -5477 C CG . ASP A 326 ? 0.2068 0.2587 0.2431 -0.0518 -0.0002 0.0227 316 ASP A CG -5478 O OD1 . ASP A 326 ? 0.2357 0.2961 0.2722 -0.0500 0.0026 0.0266 316 ASP A OD1 -5479 O OD2 . ASP A 326 ? 0.2160 0.2757 0.2567 -0.0548 -0.0021 0.0196 316 ASP A OD2 -5484 N N . THR A 327 ? 0.2374 0.2780 0.2626 -0.0438 0.0063 0.0343 317 THR A N -5485 C CA . THR A 327 ? 0.2541 0.3022 0.2756 -0.0379 0.0078 0.0355 317 THR A CA -5486 C C . THR A 327 ? 0.2858 0.3244 0.3022 -0.0354 0.0087 0.0390 317 THR A C -5487 O O . THR A 327 ? 0.2828 0.3277 0.2958 -0.0312 0.0099 0.0405 317 THR A O -5488 C CB . THR A 327 ? 0.2828 0.3470 0.3077 -0.0398 0.0106 0.0393 317 THR A CB -5489 O OG1 . THR A 327 ? 0.3188 0.3803 0.3468 -0.0470 0.0126 0.0452 317 THR A OG1 -5490 C CG2 . THR A 327 ? 0.2839 0.3614 0.3138 -0.0401 0.0097 0.0355 317 THR A CG2 -5498 N N . ALA A 328 ? 0.2246 0.2484 0.2398 -0.0372 0.0080 0.0400 318 ALA A N -5499 C CA . ALA A 328 ? 0.2396 0.2555 0.2505 -0.0348 0.0091 0.0443 318 ALA A CA -5500 C C . ALA A 328 ? 0.2250 0.2378 0.2312 -0.0281 0.0074 0.0408 318 ALA A C -5501 O O . ALA A 328 ? 0.2441 0.2557 0.2467 -0.0249 0.0081 0.0440 318 ALA A O -5502 C CB . ALA A 328 ? 0.3280 0.3285 0.3395 -0.0387 0.0092 0.0468 318 ALA A CB -5508 N N . SER A 329 ? 0.2259 0.2374 0.2320 -0.0260 0.0051 0.0345 319 SER A N -5509 C CA . SER A 329 ? 0.2154 0.2213 0.2178 -0.0208 0.0036 0.0317 319 SER A CA -5510 C C . SER A 329 ? 0.2130 0.2271 0.2123 -0.0163 0.0039 0.0315 319 SER A C -5511 O O . SER A 329 ? 0.2257 0.2359 0.2220 -0.0133 0.0034 0.0321 319 SER A O -5512 C CB . SER A 329 ? 0.2096 0.2123 0.2123 -0.0197 0.0013 0.0258 319 SER A CB -5513 O OG . SER A 329 ? 0.2389 0.2524 0.2435 -0.0189 0.0010 0.0231 319 SER A OG -5519 N N . ILE A 330 ? 0.2188 0.2445 0.2189 -0.0158 0.0045 0.0303 320 ILE A N -5520 C CA . ILE A 330 ? 0.2029 0.2355 0.1996 -0.0114 0.0046 0.0289 320 ILE A CA -5521 C C . ILE A 330 ? 0.2269 0.2619 0.2208 -0.0111 0.0062 0.0345 320 ILE A C -5522 O O . ILE A 330 ? 0.2169 0.2506 0.2074 -0.0080 0.0053 0.0341 320 ILE A O -5523 C CB . ILE A 330 ? 0.2078 0.2516 0.2056 -0.0098 0.0050 0.0254 320 ILE A CB -5524 C CG1 . ILE A 330 ? 0.2055 0.2454 0.2048 -0.0084 0.0031 0.0200 320 ILE A CG1 -5525 C CG2 . ILE A 330 ? 0.2319 0.2825 0.2255 -0.0057 0.0054 0.0238 320 ILE A CG2 -5526 C CD1 . ILE A 330 ? 0.2225 0.2727 0.2238 -0.0066 0.0035 0.0172 320 ILE A CD1 -5538 N N . PRO A 331 ? 0.2226 0.2617 0.2182 -0.0145 0.0085 0.0402 321 PRO A N -5539 C CA . PRO A 331 ? 0.2240 0.2644 0.2164 -0.0138 0.0100 0.0465 321 PRO A CA -5540 C C . PRO A 331 ? 0.2470 0.2752 0.2378 -0.0127 0.0089 0.0485 321 PRO A C -5541 O O . PRO A 331 ? 0.2637 0.2937 0.2508 -0.0095 0.0088 0.0512 321 PRO A O -5542 C CB . PRO A 331 ? 0.2798 0.3239 0.2752 -0.0187 0.0128 0.0526 321 PRO A CB -5543 C CG . PRO A 331 ? 0.2965 0.3475 0.2960 -0.0208 0.0128 0.0485 321 PRO A CG -5544 C CD . PRO A 331 ? 0.2238 0.2685 0.2240 -0.0189 0.0099 0.0413 321 PRO A CD -5552 N N A SER A 332 ? 0.2473 0.2640 0.2407 -0.0149 0.0080 0.0472 322 SER A N -5553 N N B SER A 332 ? 0.2546 0.2712 0.2480 -0.0147 0.0079 0.0469 322 SER A N -5554 C CA A SER A 332 ? 0.2666 0.2718 0.2587 -0.0132 0.0073 0.0487 322 SER A CA -5555 C CA B SER A 332 ? 0.2451 0.2501 0.2370 -0.0130 0.0072 0.0489 322 SER A CA -5556 C C A SER A 332 ? 0.2947 0.3018 0.2840 -0.0083 0.0053 0.0451 322 SER A C -5557 C C B SER A 332 ? 0.2077 0.2131 0.1971 -0.0083 0.0051 0.0447 322 SER A C -5558 O O A SER A 332 ? 0.2668 0.2738 0.2535 -0.0054 0.0053 0.0486 322 SER A O -5559 O O B SER A 332 ? 0.2045 0.2069 0.1919 -0.0053 0.0048 0.0475 322 SER A O -5560 C CB A SER A 332 ? 0.3088 0.3021 0.3036 -0.0159 0.0065 0.0462 322 SER A CB -5561 C CB B SER A 332 ? 0.2726 0.2655 0.2674 -0.0162 0.0068 0.0472 322 SER A CB -5562 O OG A SER A 332 ? 0.3030 0.2855 0.2962 -0.0135 0.0061 0.0477 322 SER A OG -5563 O OG B SER A 332 ? 0.3670 0.3578 0.3643 -0.0213 0.0087 0.0518 322 SER A OG -5574 N N . VAL A 333 ? 0.2345 0.2435 0.2244 -0.0075 0.0037 0.0385 323 VAL A N -5575 C CA . VAL A 333 ? 0.2288 0.2388 0.2167 -0.0038 0.0018 0.0348 323 VAL A CA -5576 C C . VAL A 333 ? 0.2335 0.2540 0.2183 -0.0015 0.0019 0.0359 323 VAL A C -5577 O O . VAL A 333 ? 0.2363 0.2577 0.2192 0.0011 0.0006 0.0355 323 VAL A O -5578 C CB . VAL A 333 ? 0.2209 0.2290 0.2099 -0.0035 0.0003 0.0282 323 VAL A CB -5579 C CG1 . VAL A 333 ? 0.2498 0.2482 0.2410 -0.0052 -0.0000 0.0272 323 VAL A CG1 -5580 C CG2 . VAL A 333 ? 0.2455 0.2614 0.2348 -0.0036 0.0004 0.0250 323 VAL A CG2 -5591 N N . MET A 334 ? 0.2302 0.2596 0.2142 -0.0023 0.0033 0.0370 324 MET A N -5592 C CA A MET A 334 ? 0.2654 0.3054 0.2455 0.0001 0.0033 0.0380 324 MET A CA -5593 C CA B MET A 334 ? 0.1829 0.2230 0.1630 0.0001 0.0034 0.0381 324 MET A CA -5594 C C . MET A 334 ? 0.2599 0.2995 0.2380 0.0014 0.0038 0.0449 324 MET A C -5595 O O . MET A 334 ? 0.2502 0.2953 0.2252 0.0043 0.0024 0.0446 324 MET A O -5596 C CB A MET A 334 ? 0.3148 0.3652 0.2944 -0.0007 0.0052 0.0382 324 MET A CB -5597 C CB B MET A 334 ? 0.1911 0.2413 0.1708 -0.0010 0.0055 0.0392 324 MET A CB -5598 C CG A MET A 334 ? 0.2489 0.3011 0.2297 -0.0002 0.0045 0.0309 324 MET A CG -5599 C CG B MET A 334 ? 0.2820 0.3354 0.2632 -0.0008 0.0052 0.0326 324 MET A CG -5600 S SD A MET A 334 ? 0.3035 0.3692 0.2843 -0.0003 0.0070 0.0310 324 MET A SD -5601 S SD B MET A 334 ? 0.3552 0.4152 0.3321 0.0032 0.0033 0.0255 324 MET A SD -5602 C CE A MET A 334 ? 0.3299 0.3960 0.3111 0.0024 0.0056 0.0217 324 MET A CE -5603 C CE B MET A 334 ? 0.3492 0.4139 0.3278 0.0039 0.0043 0.0201 324 MET A CE -5622 N N . LYS A 335 ? 0.2519 0.2848 0.2317 -0.0007 0.0056 0.0511 325 LYS A N -5623 C CA . LYS A 335 ? 0.2872 0.3178 0.2651 0.0012 0.0062 0.0583 325 LYS A CA -5624 C C . LYS A 335 ? 0.2817 0.3063 0.2597 0.0042 0.0041 0.0566 325 LYS A C -5625 O O . LYS A 335 ? 0.2781 0.3075 0.2535 0.0077 0.0033 0.0597 325 LYS A O -5626 C CB . LYS A 335 ? 0.3201 0.3418 0.3003 -0.0022 0.0087 0.0646 325 LYS A CB -5627 C CG . LYS A 335 ? 0.4167 0.4333 0.3951 -0.0001 0.0098 0.0729 325 LYS A CG -5632 N N . MET A 336 ? 0.2549 0.2703 0.2357 0.0031 0.0032 0.0518 326 MET A N -5633 C CA A MET A 336 ? 0.2654 0.2760 0.2468 0.0058 0.0015 0.0499 326 MET A CA -5634 C CA B MET A 336 ? 0.2614 0.2721 0.2427 0.0059 0.0015 0.0502 326 MET A CA -5635 C C . MET A 336 ? 0.2535 0.2744 0.2331 0.0083 -0.0006 0.0464 326 MET A C -5636 O O . MET A 336 ? 0.2458 0.2692 0.2248 0.0114 -0.0017 0.0484 326 MET A O -5637 C CB A MET A 336 ? 0.3270 0.3286 0.3112 0.0040 0.0010 0.0445 326 MET A CB -5638 C CB B MET A 336 ? 0.2392 0.2400 0.2233 0.0041 0.0011 0.0454 326 MET A CB -5639 C CG A MET A 336 ? 0.2581 0.2571 0.2431 0.0065 -0.0007 0.0411 326 MET A CG -5640 C CG B MET A 336 ? 0.2651 0.2606 0.2500 0.0069 0.0001 0.0442 326 MET A CG -5641 S SD A MET A 336 ? 0.2824 0.2737 0.2696 0.0049 -0.0014 0.0346 326 MET A SD -5642 S SD B MET A 336 ? 0.3041 0.3081 0.2890 0.0079 -0.0023 0.0379 326 MET A SD -5643 C CE A MET A 336 ? 0.2748 0.2563 0.2632 0.0016 0.0002 0.0362 326 MET A CE -5644 C CE B MET A 336 ? 0.4830 0.4815 0.4698 0.0050 -0.0025 0.0316 326 MET A CE -5663 N N . ILE A 337 ? 0.2424 0.2695 0.2215 0.0069 -0.0013 0.0410 327 ILE A N -5664 C CA . ILE A 337 ? 0.2273 0.2629 0.2048 0.0083 -0.0035 0.0365 327 ILE A CA -5665 C C . ILE A 337 ? 0.2424 0.2886 0.2163 0.0107 -0.0039 0.0407 327 ILE A C -5666 O O . ILE A 337 ? 0.2279 0.2795 0.2012 0.0127 -0.0059 0.0397 327 ILE A O -5667 C CB . ILE A 337 ? 0.2226 0.2609 0.1998 0.0067 -0.0037 0.0300 327 ILE A CB -5668 C CG1 . ILE A 337 ? 0.2248 0.2534 0.2053 0.0051 -0.0040 0.0259 327 ILE A CG1 -5669 C CG2 . ILE A 337 ? 0.2359 0.2835 0.2105 0.0079 -0.0058 0.0252 327 ILE A CG2 -5670 C CD1 . ILE A 337 ? 0.2503 0.2804 0.2310 0.0041 -0.0037 0.0208 327 ILE A CD1 -5682 N N . GLU A 338 ? 0.2218 0.2719 0.1935 0.0105 -0.0018 0.0457 328 GLU A N -5683 C CA A GLU A 338 ? 0.2256 0.2863 0.1933 0.0132 -0.0019 0.0508 328 GLU A CA -5684 C CA B GLU A 338 ? 0.2675 0.3281 0.2352 0.0132 -0.0019 0.0508 328 GLU A CA -5685 C C . GLU A 338 ? 0.2478 0.3054 0.2160 0.0161 -0.0024 0.0568 328 GLU A C -5686 O O . GLU A 338 ? 0.2734 0.3404 0.2395 0.0191 -0.0043 0.0577 328 GLU A O -5687 C CB A GLU A 338 ? 0.2788 0.3429 0.2446 0.0120 0.0010 0.0562 328 GLU A CB -5688 C CB B GLU A 338 ? 0.2421 0.3056 0.2080 0.0119 0.0011 0.0563 328 GLU A CB -5689 C CG A GLU A 338 ? 0.3075 0.3827 0.2684 0.0150 0.0015 0.0630 328 GLU A CG -5690 C CG B GLU A 338 ? 0.6150 0.6917 0.5757 0.0146 0.0014 0.0614 328 GLU A CG -5691 C CD A GLU A 338 ? 0.7214 0.8109 0.6780 0.0170 -0.0009 0.0576 328 GLU A CD -5692 C CD B GLU A 338 ? 0.5391 0.6198 0.4982 0.0130 0.0048 0.0670 328 GLU A CD -5693 O OE1 A GLU A 338 ? 0.6009 0.6923 0.5576 0.0155 -0.0017 0.0493 328 GLU A OE1 -5694 O OE1 B GLU A 338 ? 0.4782 0.5496 0.4400 0.0108 0.0073 0.0731 328 GLU A OE1 -5695 O OE2 A GLU A 338 ? 0.7768 0.8755 0.7297 0.0202 -0.0020 0.0616 328 GLU A OE2 -5696 O OE2 B GLU A 338 ? 0.5892 0.6825 0.5444 0.0137 0.0052 0.0651 328 GLU A OE2 -5709 N N . LEU A 339 ? 0.2820 0.3268 0.2530 0.0156 -0.0007 0.0606 329 LEU A N -5710 C CA . LEU A 339 ? 0.3088 0.3492 0.2804 0.0193 -0.0008 0.0664 329 LEU A CA -5711 C C . LEU A 339 ? 0.2984 0.3416 0.2718 0.0215 -0.0035 0.0620 329 LEU A C -5712 O O . LEU A 339 ? 0.3181 0.3649 0.2910 0.0257 -0.0043 0.0663 329 LEU A O -5713 C CB . LEU A 339 ? 0.4112 0.4355 0.3855 0.0179 0.0015 0.0693 329 LEU A CB -5714 C CG . LEU A 339 ? 0.5660 0.5850 0.5389 0.0175 0.0043 0.0781 329 LEU A CG -5715 C CD1 . LEU A 339 ? 0.9467 0.9760 0.9169 0.0155 0.0055 0.0805 329 LEU A CD1 -5716 C CD2 . LEU A 339 ? 0.8482 0.8511 0.8243 0.0141 0.0061 0.0777 329 LEU A CD2 -5728 N N . LEU A 340 ? 0.2508 0.2924 0.2265 0.0190 -0.0048 0.0541 330 LEU A N -5729 C CA . LEU A 340 ? 0.2468 0.2922 0.2246 0.0200 -0.0071 0.0498 330 LEU A CA -5730 C C . LEU A 340 ? 0.2911 0.3516 0.2667 0.0208 -0.0097 0.0476 330 LEU A C -5731 O O . LEU A 340 ? 0.3063 0.3720 0.2841 0.0213 -0.0120 0.0445 330 LEU A O -5732 C CB . LEU A 340 ? 0.2698 0.3085 0.2505 0.0167 -0.0075 0.0425 330 LEU A CB -5733 C CG . LEU A 340 ? 0.2942 0.3193 0.2774 0.0162 -0.0058 0.0429 330 LEU A CG -5734 C CD1 . LEU A 340 ? 0.3288 0.3499 0.3138 0.0131 -0.0063 0.0361 330 LEU A CD1 -5735 C CD2 . LEU A 340 ? 0.4172 0.4400 0.4023 0.0199 -0.0058 0.0459 330 LEU A CD2 -5747 N N . GLY A 341 ? 0.2489 0.3169 0.2204 0.0205 -0.0095 0.0485 331 GLY A N -5748 C CA . GLY A 341 ? 0.2870 0.3694 0.2558 0.0208 -0.0121 0.0448 331 GLY A CA -5749 C C . GLY A 341 ? 0.2896 0.3724 0.2591 0.0172 -0.0136 0.0351 331 GLY A C -5750 O O . GLY A 341 ? 0.2961 0.3889 0.2644 0.0168 -0.0164 0.0303 331 GLY A O -5754 N N . ARG A 342 ? 0.2144 0.2863 0.1857 0.0146 -0.0119 0.0319 332 ARG A N -5755 C CA . ARG A 342 ? 0.2042 0.2741 0.1762 0.0118 -0.0129 0.0235 332 ARG A CA -5756 C C . ARG A 342 ? 0.2252 0.2983 0.1934 0.0114 -0.0115 0.0216 332 ARG A C -5757 O O . ARG A 342 ? 0.2327 0.3106 0.1980 0.0128 -0.0099 0.0271 332 ARG A O -5758 C CB . ARG A 342 ? 0.2046 0.2614 0.1810 0.0101 -0.0119 0.0221 332 ARG A CB -5759 C CG . ARG A 342 ? 0.2125 0.2678 0.1926 0.0109 -0.0130 0.0238 332 ARG A CG -5760 C CD . ARG A 342 ? 0.2009 0.2600 0.1830 0.0089 -0.0154 0.0177 332 ARG A CD -5761 N NE . ARG A 342 ? 0.1993 0.2488 0.1841 0.0063 -0.0150 0.0132 332 ARG A NE -5762 C CZ . ARG A 342 ? 0.2088 0.2508 0.1970 0.0064 -0.0139 0.0149 332 ARG A CZ -5763 N NH1 . ARG A 342 ? 0.2075 0.2499 0.1969 0.0090 -0.0133 0.0203 332 ARG A NH1 -5764 N NH2 . ARG A 342 ? 0.2128 0.2471 0.2029 0.0041 -0.0136 0.0110 332 ARG A NH2 -5778 N N . LYS A 343 ? 0.2252 0.2956 0.1935 0.0097 -0.0119 0.0144 333 LYS A N -5779 C CA . LYS A 343 ? 0.2850 0.3587 0.2501 0.0100 -0.0105 0.0118 333 LYS A CA -5780 C C . LYS A 343 ? 0.2784 0.3420 0.2465 0.0086 -0.0091 0.0088 333 LYS A C -5781 O O . LYS A 343 ? 0.2363 0.2921 0.2075 0.0073 -0.0101 0.0059 333 LYS A O -5782 C CB . LYS A 343 ? 0.3176 0.3992 0.2790 0.0102 -0.0127 0.0042 333 LYS A CB -5783 C CG . LYS A 343 ? 0.8036 0.8889 0.7658 0.0094 -0.0159 0.0018 333 LYS A CG -5788 N N . PRO A 344 ? 0.3469 0.4114 0.3143 0.0089 -0.0068 0.0097 334 PRO A N -5789 C CA . PRO A 344 ? 0.2996 0.3564 0.2696 0.0082 -0.0060 0.0059 334 PRO A CA -5790 C C . PRO A 344 ? 0.3308 0.3880 0.2990 0.0090 -0.0074 -0.0026 334 PRO A C -5791 O O . PRO A 344 ? 0.2987 0.3634 0.2629 0.0100 -0.0086 -0.0060 334 PRO A O -5792 C CB B PRO A 344 ? 0.5339 0.5955 0.5035 0.0085 -0.0032 0.0094 334 PRO A CB -5793 C CG . PRO A 344 ? 0.4369 0.5109 0.4015 0.0102 -0.0029 0.0111 334 PRO A CG -5794 C CD . PRO A 344 ? 0.4191 0.4932 0.3832 0.0101 -0.0048 0.0141 334 PRO A CD -5802 N N . GLY A 345 ? 0.3208 0.3689 0.2916 0.0086 -0.0074 -0.0061 335 GLY A N -5803 C CA . GLY A 345 ? 0.2779 0.3233 0.2473 0.0095 -0.0085 -0.0139 335 GLY A CA -5804 C C . GLY A 345 ? 0.2970 0.3502 0.2625 0.0122 -0.0074 -0.0174 335 GLY A C -5805 O O . GLY A 345 ? 0.3730 0.4313 0.3385 0.0134 -0.0051 -0.0140 335 GLY A O -5809 N N . ARG A 346 ? 0.2776 0.3318 0.2397 0.0131 -0.0089 -0.0245 336 ARG A N -5810 C CA . ARG A 346 ? 0.3356 0.3974 0.2930 0.0163 -0.0079 -0.0293 336 ARG A CA -5811 C C . ARG A 346 ? 0.3347 0.3892 0.2926 0.0189 -0.0070 -0.0349 336 ARG A C -5812 O O . ARG A 346 ? 0.4243 0.4849 0.3791 0.0225 -0.0054 -0.0381 336 ARG A O -5813 C CB . ARG A 346 ? 0.3921 0.4594 0.3447 0.0160 -0.0103 -0.0350 336 ARG A CB -5814 C CG . ARG A 346 ? 0.4917 0.5696 0.4426 0.0147 -0.0112 -0.0294 336 ARG A CG -5819 N N . ASP A 347 ? 0.2624 0.3042 0.2238 0.0175 -0.0079 -0.0363 337 ASP A N -5820 C CA . ASP A 347 ? 0.2531 0.2862 0.2153 0.0203 -0.0072 -0.0407 337 ASP A CA -5821 C C . ASP A 347 ? 0.2396 0.2648 0.2070 0.0191 -0.0067 -0.0354 337 ASP A C -5822 O O . ASP A 347 ? 0.2289 0.2574 0.1988 0.0170 -0.0062 -0.0289 337 ASP A O -5823 C CB . ASP A 347 ? 0.2715 0.2967 0.2313 0.0197 -0.0092 -0.0487 337 ASP A CB -5824 C CG . ASP A 347 ? 0.3532 0.3711 0.3161 0.0146 -0.0115 -0.0475 337 ASP A CG -5825 O OD1 . ASP A 347 ? 0.2726 0.2901 0.2392 0.0123 -0.0113 -0.0408 337 ASP A OD1 -5826 O OD2 . ASP A 347 ? 0.3684 0.3814 0.3299 0.0125 -0.0134 -0.0536 337 ASP A OD2 -5831 N N . TRP A 348 ? 0.2272 0.2417 0.1960 0.0207 -0.0067 -0.0381 338 TRP A N -5832 C CA . TRP A 348 ? 0.2121 0.2203 0.1852 0.0201 -0.0062 -0.0333 338 TRP A CA -5833 C C . TRP A 348 ? 0.2203 0.2222 0.1958 0.0156 -0.0077 -0.0304 338 TRP A C -5834 O O . TRP A 348 ? 0.2062 0.2039 0.1847 0.0149 -0.0074 -0.0261 338 TRP A O -5835 C CB . TRP A 348 ? 0.2395 0.2385 0.2131 0.0239 -0.0057 -0.0363 338 TRP A CB -5836 C CG . TRP A 348 ? 0.2357 0.2411 0.2080 0.0294 -0.0040 -0.0385 338 TRP A CG -5837 C CD1 . TRP A 348 ? 0.2584 0.2770 0.2295 0.0306 -0.0026 -0.0377 338 TRP A CD1 -5838 C CD2 . TRP A 348 ? 0.2337 0.2330 0.2061 0.0346 -0.0031 -0.0413 338 TRP A CD2 -5839 N NE1 . TRP A 348 ? 0.2584 0.2807 0.2293 0.0365 -0.0009 -0.0401 338 TRP A NE1 -5840 C CE2 . TRP A 348 ? 0.2475 0.2577 0.2190 0.0393 -0.0013 -0.0425 338 TRP A CE2 -5841 C CE3 . TRP A 348 ? 0.2631 0.2486 0.2362 0.0361 -0.0036 -0.0425 338 TRP A CE3 -5842 C CZ2 . TRP A 348 ? 0.2663 0.2747 0.2377 0.0459 -0.0001 -0.0452 338 TRP A CZ2 -5843 C CZ3 . TRP A 348 ? 0.3018 0.2845 0.2746 0.0426 -0.0024 -0.0446 338 TRP A CZ3 -5844 C CH2 . TRP A 348 ? 0.2869 0.2809 0.2589 0.0476 -0.0007 -0.0462 338 TRP A CH2 -5855 N N . GLY A 349 ? 0.2149 0.2164 0.1891 0.0127 -0.0093 -0.0327 339 GLY A N -5856 C CA . GLY A 349 ? 0.2149 0.2126 0.1919 0.0087 -0.0105 -0.0297 339 GLY A CA -5857 C C . GLY A 349 ? 0.2089 0.1943 0.1882 0.0081 -0.0105 -0.0301 339 GLY A C -5858 O O . GLY A 349 ? 0.2189 0.2014 0.2009 0.0060 -0.0105 -0.0258 339 GLY A O -5862 N N . GLY A 350 ? 0.2196 0.1975 0.1975 0.0098 -0.0105 -0.0351 340 GLY A N -5863 C CA . GLY A 350 ? 0.2284 0.1939 0.2083 0.0090 -0.0104 -0.0349 340 GLY A CA -5864 C C . GLY A 350 ? 0.2386 0.2010 0.2204 0.0036 -0.0118 -0.0354 340 GLY A C -5865 O O . GLY A 350 ? 0.2499 0.2183 0.2309 0.0010 -0.0133 -0.0383 340 GLY A O -5869 N N . ARG A 351 ? 0.2307 0.1852 0.2152 0.0017 -0.0113 -0.0321 341 ARG A N -5870 C CA . ARG A 351 ? 0.2201 0.1727 0.2073 -0.0037 -0.0124 -0.0321 341 ARG A CA -5871 C C . ARG A 351 ? 0.2606 0.2073 0.2469 -0.0061 -0.0136 -0.0390 341 ARG A C -5872 O O . ARG A 351 ? 0.2717 0.2083 0.2563 -0.0037 -0.0129 -0.0423 341 ARG A O -5873 C CB . ARG A 351 ? 0.2470 0.1921 0.2370 -0.0047 -0.0111 -0.0271 341 ARG A CB -5874 C CG . ARG A 351 ? 0.2409 0.1854 0.2345 -0.0104 -0.0116 -0.0257 341 ARG A CG -5875 C CD . ARG A 351 ? 0.2712 0.2044 0.2657 -0.0134 -0.0117 -0.0292 341 ARG A CD -5876 N NE . ARG A 351 ? 0.2929 0.2269 0.2917 -0.0198 -0.0123 -0.0282 341 ARG A NE -5877 C CZ . ARG A 351 ? 0.2926 0.2213 0.2943 -0.0222 -0.0107 -0.0235 341 ARG A CZ -5878 N NH1 . ARG A 351 ? 0.2662 0.1878 0.2666 -0.0185 -0.0087 -0.0191 341 ARG A NH1 -5879 N NH2 . ARG A 351 ? 0.2917 0.2233 0.2979 -0.0284 -0.0113 -0.0231 341 ARG A NH2 -5893 N N . LYS A 352 ? 0.2481 0.2012 0.2356 -0.0107 -0.0155 -0.0414 342 LYS A N -5894 C CA . LYS A 352 ? 0.2627 0.2113 0.2497 -0.0144 -0.0172 -0.0487 342 LYS A CA -5895 C C . LYS A 352 ? 0.2837 0.2291 0.2757 -0.0211 -0.0179 -0.0472 342 LYS A C -5896 O O . LYS A 352 ? 0.2688 0.2190 0.2643 -0.0226 -0.0172 -0.0409 342 LYS A O -5897 C CB . LYS A 352 ? 0.2763 0.2371 0.2602 -0.0144 -0.0193 -0.0535 342 LYS A CB -5898 C CG . LYS A 352 ? 0.3197 0.2848 0.2988 -0.0082 -0.0183 -0.0549 342 LYS A CG -5899 C CD . LYS A 352 ? 0.5070 0.4596 0.4832 -0.0048 -0.0173 -0.0603 342 LYS A CD -5900 C CE . LYS A 352 ? 0.7551 0.7141 0.7263 0.0013 -0.0165 -0.0635 342 LYS A CE -5901 N NZ . LYS A 352 ? 1.0010 0.9654 0.9726 0.0058 -0.0144 -0.0567 342 LYS A NZ -5915 N N . ARG A 353 ? 0.3148 0.2524 0.3073 -0.0254 -0.0191 -0.0533 343 ARG A N -5916 C CA . ARG A 353 ? 0.3557 0.2906 0.3537 -0.0328 -0.0197 -0.0526 343 ARG A CA -5917 C C . ARG A 353 ? 0.3373 0.2820 0.3359 -0.0380 -0.0231 -0.0588 343 ARG A C -5918 O O . ARG A 353 ? 0.4061 0.3443 0.4029 -0.0405 -0.0246 -0.0669 343 ARG A O -5919 C CB . ARG A 353 ? 0.3681 0.2844 0.3666 -0.0343 -0.0183 -0.0538 343 ARG A CB -5920 C CG . ARG A 353 ? 0.3767 0.2858 0.3747 -0.0291 -0.0153 -0.0465 343 ARG A CG -5921 C CD . ARG A 353 ? 0.4485 0.3391 0.4470 -0.0301 -0.0137 -0.0464 343 ARG A CD -5922 N NE . ARG A 353 ? 0.4875 0.3735 0.4847 -0.0241 -0.0112 -0.0395 343 ARG A NE -5923 C CZ . ARG A 353 ? 0.4448 0.3328 0.4449 -0.0251 -0.0095 -0.0317 343 ARG A CZ -5924 N NH1 . ARG A 353 ? 0.4425 0.3368 0.4473 -0.0318 -0.0099 -0.0296 343 ARG A NH1 -5925 N NH2 . ARG A 353 ? 0.4331 0.3176 0.4312 -0.0193 -0.0076 -0.0263 343 ARG A NH2 -5939 N N . VAL A 354 ? 0.3371 0.2978 0.3380 -0.0390 -0.0242 -0.0555 344 VAL A N -5940 C CA . VAL A 354 ? 0.3047 0.2782 0.3063 -0.0433 -0.0277 -0.0605 344 VAL A CA -5941 C C . VAL A 354 ? 0.3184 0.3001 0.3273 -0.0497 -0.0286 -0.0570 344 VAL A C -5942 O O . VAL A 354 ? 0.3571 0.3496 0.3679 -0.0546 -0.0318 -0.0616 344 VAL A O -5943 C CB . VAL A 354 ? 0.3948 0.3830 0.3918 -0.0383 -0.0288 -0.0606 344 VAL A CB -5944 C CG1 . VAL A 354 ? 0.3802 0.3628 0.3702 -0.0333 -0.0285 -0.0661 344 VAL A CG1 -5945 C CG2 . VAL A 354 ? 0.3391 0.3341 0.3372 -0.0339 -0.0268 -0.0512 344 VAL A CG2 -5955 N N . PHE A 355 ? 0.3136 0.2916 0.3267 -0.0499 -0.0259 -0.0495 345 PHE A N -5956 C CA . PHE A 355 ? 0.3304 0.3163 0.3508 -0.0556 -0.0261 -0.0456 345 PHE A CA -5957 C C . PHE A 355 ? 0.5324 0.5058 0.5570 -0.0630 -0.0256 -0.0477 345 PHE A C -5958 O O . PHE A 355 ? 0.4443 0.4017 0.4676 -0.0615 -0.0230 -0.0458 345 PHE A O -5959 C CB . PHE A 355 ? 0.3106 0.3000 0.3330 -0.0516 -0.0232 -0.0364 345 PHE A CB -5960 C CG . PHE A 355 ? 0.3355 0.3356 0.3652 -0.0564 -0.0232 -0.0323 345 PHE A CG -5961 C CD1 . PHE A 355 ? 0.2948 0.3129 0.3269 -0.0565 -0.0255 -0.0319 345 PHE A CD1 -5962 C CD2 . PHE A 355 ? 0.3916 0.3847 0.4260 -0.0603 -0.0208 -0.0284 345 PHE A CD2 -5963 C CE1 . PHE A 355 ? 0.3720 0.4016 0.4116 -0.0606 -0.0255 -0.0284 345 PHE A CE1 -5964 C CE2 . PHE A 355 ? 0.3854 0.3901 0.4271 -0.0648 -0.0206 -0.0248 345 PHE A CE2 -5965 C CZ . PHE A 355 ? 0.3398 0.3628 0.3842 -0.0648 -0.0229 -0.0249 345 PHE A CZ -5975 N N . THR A 356 ? 0.4548 0.4361 0.4850 -0.0709 -0.0281 -0.0510 346 THR A N -5976 C CA . THR A 356 ? 1.2053 1.1752 1.2400 -0.0796 -0.0281 -0.0541 346 THR A CA -5977 C C . THR A 356 ? 0.9840 0.9322 1.0134 -0.0781 -0.0272 -0.0590 346 THR A C -5978 O O . THR A 356 ? 0.8859 0.8316 0.9093 -0.0754 -0.0292 -0.0665 346 THR A O -5979 C CB . THR A 356 ? 0.5781 0.5470 0.6196 -0.0832 -0.0250 -0.0456 346 THR A CB -5982 N N . CYS B . ? 0.2096 0.1810 0.1981 0.0010 -0.0079 0.0030 401 CYS A N -5983 C CA . CYS B . ? 0.1996 0.1669 0.1857 0.0015 -0.0081 0.0020 401 CYS A CA -5984 C C . CYS B . ? 0.2642 0.2274 0.2494 0.0027 -0.0068 0.0033 401 CYS A C -5985 O O . CYS B . ? 0.2889 0.2479 0.2726 0.0031 -0.0063 0.0029 401 CYS A O -5986 C CB . CYS B . ? 0.2146 0.1837 0.1990 0.0037 -0.0089 0.0012 401 CYS A CB -5987 S SG . CYS B . ? 0.1992 0.1682 0.1840 0.0060 -0.0080 0.0028 401 CYS A SG -5988 O OXT . CYS B . ? 0.2544 0.2191 0.2406 0.0037 -0.0063 0.0045 401 CYS A OXT -5992 FE FE . FE2 C . ? 0.2074 0.1834 0.1713 -0.0040 -0.0022 0.0061 402 FE2 A FE -5993 C C C CMO D . ? 0.2414 0.1816 0.1647 -0.0418 -0.0154 0.0191 403 CMO A C -5994 O O C CMO D . ? 0.2361 0.2170 0.1967 -0.0029 0.0039 -0.0113 403 CMO A O -5995 C C C CMO E . ? 0.2376 0.1343 0.1640 0.0197 -0.0052 0.0067 404 CMO A C -5996 O O C CMO E . ? 0.2167 0.1554 0.2226 -0.0016 -0.0231 0.0196 404 CMO A O -5997 C C . CYN F . ? 0.2786 0.1875 0.1465 0.0347 0.0139 0.0342 405 CYN A C -5998 N N . CYN F . ? 0.2140 0.1610 0.1921 0.0109 0.0485 -0.0217 405 CYN A N -5999 C C . PYR G . ? 0.5950 0.7499 0.8171 0.1452 0.1447 0.2687 406 PYR A C -6000 O O . PYR G . ? 0.6349 0.7175 0.8322 0.1953 0.1084 0.2851 406 PYR A O -6001 O OXT . PYR G . ? 0.6086 0.7857 0.7603 0.1018 0.1114 0.2439 406 PYR A OXT -6002 C CA . PYR G . ? 0.5713 0.7558 0.8623 0.1163 0.1600 0.3037 406 PYR A CA -6003 O O3 . PYR G . ? 0.5830 0.7969 0.9194 0.0716 0.1840 0.2931 406 PYR A O3 -6004 C CB . PYR G . ? 0.5347 0.7402 0.8255 0.1122 0.1751 0.3334 406 PYR A CB -6008 C C1 A GOL H . ? 0.5924 0.4585 0.4917 0.0717 0.0184 -0.0654 407 GOL A C1 -6009 O O1 A GOL H . ? 0.5899 0.4242 0.4666 -0.0126 -0.0089 -0.0710 407 GOL A O1 -6010 C C2 A GOL H . ? 0.5604 0.4833 0.4239 0.1797 0.0985 -0.0733 407 GOL A C2 -6011 O O2 A GOL H . ? 0.7117 0.5262 0.4656 0.1930 0.0491 -0.0270 407 GOL A O2 -6012 C C3 A GOL H . ? 0.5522 0.5188 0.5287 0.1498 0.0017 -0.1106 407 GOL A C3 -6013 O O3 A GOL H . ? 0.5881 0.5781 0.6137 0.0907 -0.0726 -0.0890 407 GOL A O3 -6020 N N . SAH I . ? 0.2154 0.1913 0.1831 -0.0149 0.0086 -0.0038 408 SAH A N -6021 C CA . SAH I . ? 0.2056 0.1617 0.1640 -0.0177 -0.0069 0.0038 408 SAH A CA -6022 C CB . SAH I . ? 0.2341 0.1932 0.2105 0.0516 0.0248 0.0613 408 SAH A CB -6023 C CG . SAH I . ? 0.2412 0.2184 0.2372 0.0883 0.0079 0.0016 408 SAH A CG -6024 S SD . SAH I . ? 0.2613 0.2552 0.2100 0.0081 0.0087 -0.0379 408 SAH A SD -6025 C C . SAH I . ? 0.2688 0.1607 0.1626 -0.0599 -0.0139 -0.0295 408 SAH A C -6026 O O . SAH I . ? 0.2378 0.1652 0.1825 -0.0211 0.0220 -0.0076 408 SAH A O -6027 O OXT . SAH I . ? 0.2397 0.1962 0.2058 -0.0362 0.0052 -0.0261 408 SAH A OXT -6028 C "C5'" . SAH I . ? 0.3316 0.2340 0.1829 0.1034 0.0701 0.0125 408 SAH A "C5'" -6029 C "C4'" . SAH I . ? 0.2565 0.1632 0.1953 0.0249 0.0570 -0.0009 408 SAH A "C4'" -6030 O "O4'" . SAH I . ? 0.2496 0.1742 0.2250 0.0168 0.0755 -0.0024 408 SAH A "O4'" -6031 C "C3'" . SAH I . ? 0.2068 0.1395 0.2076 -0.0090 -0.0068 0.0046 408 SAH A "C3'" -6032 O "O3'" . SAH I . ? 0.2356 0.1766 0.2273 -0.0083 0.0337 -0.0045 408 SAH A "O3'" -6033 C "C2'" . SAH I . ? 0.1912 0.1351 0.2246 -0.0023 -0.0039 -0.0058 408 SAH A "C2'" -6034 O "O2'" . SAH I . ? 0.2107 0.2092 0.2201 0.0078 0.0065 0.0267 408 SAH A "O2'" -6035 C "C1'" . SAH I . ? 0.2425 0.0997 0.2195 -0.0095 0.0234 -0.0018 408 SAH A "C1'" -6036 N N9 . SAH I . ? 0.1977 0.1141 0.2008 0.0210 0.0096 0.0324 408 SAH A N9 -6037 C C8 . SAH I . ? 0.2191 0.1859 0.1767 0.0552 0.0090 0.0449 408 SAH A C8 -6038 N N7 . SAH I . ? 0.2078 0.1665 0.1865 0.0115 0.0263 0.0280 408 SAH A N7 -6039 C C5 . SAH I . ? 0.2279 0.1505 0.1795 0.0121 0.0272 -0.0047 408 SAH A C5 -6040 C C6 . SAH I . ? 0.2040 0.1750 0.1551 0.0104 0.0093 0.0114 408 SAH A C6 -6041 N N6 . SAH I . ? 0.2230 0.1526 0.1674 0.0088 -0.0034 0.0139 408 SAH A N6 -6042 N N1 . SAH I . ? 0.1987 0.1780 0.1647 0.0160 -0.0043 0.0039 408 SAH A N1 -6043 C C2 . SAH I . ? 0.2037 0.1765 0.1738 0.0301 0.0214 0.0270 408 SAH A C2 -6044 N N3 . SAH I . ? 0.2118 0.1567 0.1785 0.0322 0.0187 0.0244 408 SAH A N3 -6045 C C4 . SAH I . ? 0.2004 0.1254 0.1876 0.0336 0.0214 0.0369 408 SAH A C4 -6065 P P . PO4 J . ? 0.9606 0.7634 1.2543 0.1627 -0.0012 -0.0284 409 PO4 A P -6066 O O1 . PO4 J . ? 0.9508 0.7692 1.2603 0.1514 -0.0346 -0.0476 409 PO4 A O1 -6067 O O2 . PO4 J . ? 0.9751 0.7499 1.2225 0.1655 -0.0387 -0.0189 409 PO4 A O2 -6068 O O3 . PO4 J . ? 0.9556 0.8104 1.2990 0.1198 0.0169 -0.0329 409 PO4 A O3 -6069 O O4 . PO4 J . ? 0.9721 0.7680 1.2660 0.1719 0.0347 -0.0003 409 PO4 A O4 -6070 P P . PO4 K . ? 0.3087 0.3647 0.4657 0.0170 -0.0008 0.1221 410 PO4 A P -6071 O O1 . PO4 K . ? 0.4072 0.3942 0.4919 -0.0104 0.1247 0.1403 410 PO4 A O1 -6072 O O2 . PO4 K . ? 0.3527 0.3806 0.5720 0.0170 -0.1138 0.0411 410 PO4 A O2 -6073 O O3 . PO4 K . ? 0.4181 0.4893 0.6381 -0.0365 -0.0366 0.0700 410 PO4 A O3 -6074 O O4 . PO4 K . ? 0.4902 0.3718 0.2910 0.0812 0.1252 0.0611 410 PO4 A O4 -6075 P P A PO4 L . ? 0.5925 0.6186 0.4168 0.1344 0.0302 -0.0386 411 PO4 A P -6076 P P B PO4 L . ? 0.4557 0.7085 0.6753 -0.1112 0.0008 0.1896 411 PO4 A P -6077 O O1 A PO4 L . ? 0.5867 0.5814 0.3909 0.1790 0.0094 -0.0407 411 PO4 A O1 -6078 O O1 B PO4 L . ? 0.4770 0.6784 0.7325 -0.1180 -0.0027 0.1978 411 PO4 A O1 -6079 O O2 A PO4 L . ? 0.4795 0.5914 0.3124 0.2190 0.0838 -0.0065 411 PO4 A O2 -6080 O O2 B PO4 L . ? 0.3953 0.6946 0.6197 -0.1248 -0.1071 0.1679 411 PO4 A O2 -6081 O O3 A PO4 L . ? 0.5837 0.5756 0.4302 0.2057 0.0653 0.0700 411 PO4 A O3 -6082 O O3 B PO4 L . ? 0.3391 0.6734 0.5493 -0.1547 -0.0725 0.1973 411 PO4 A O3 -6083 O O4 A PO4 L . ? 0.6271 0.5974 0.4271 0.1356 -0.0398 0.0486 411 PO4 A O4 -6084 O O4 B PO4 L . ? 0.5829 0.6976 0.6429 -0.1050 -0.0187 0.2590 411 PO4 A O4 -6085 P P . PO4 M . ? 0.5973 0.5601 0.7054 -0.1659 0.0249 0.0982 412 PO4 A P -6086 O O1 . PO4 M . ? 0.6259 0.5666 0.7112 -0.1531 0.0370 0.1361 412 PO4 A O1 -6087 O O2 . PO4 M . ? 0.6231 0.5722 0.7679 -0.2039 0.0060 0.0635 412 PO4 A O2 -6088 O O3 . PO4 M . ? 0.4639 0.5646 0.6406 -0.1746 0.0112 0.0801 412 PO4 A O3 -6089 O O4 . PO4 M . ? 0.5104 0.5208 0.6994 -0.2223 -0.0472 -0.0311 412 PO4 A O4 -6090 P P . PO4 N . ? 0.7127 0.3521 0.5505 -0.0385 0.0997 0.0136 413 PO4 A P -6091 O O1 . PO4 N . ? 0.7129 0.3377 0.5128 -0.0164 0.0111 -0.0778 413 PO4 A O1 -6092 O O2 . PO4 N . ? 0.7050 0.3840 0.5013 -0.0203 0.1891 -0.0705 413 PO4 A O2 -6093 O O3 . PO4 N . ? 0.7093 0.3546 0.4665 -0.0538 0.1186 0.1711 413 PO4 A O3 -6094 O O4 . PO4 N . ? 0.7140 0.2744 0.5969 -0.1304 0.0842 -0.0200 413 PO4 A O4 -6095 CL CL . CL O . ? 0.2405 0.2525 0.2247 0.0221 -0.0129 -0.0007 414 CL A CL -6096 FE FE1 . SF4 P . ? 0.2067 0.1716 0.1731 0.0028 0.0002 -0.0069 415 SF4 A FE1 -6097 FE FE2 . SF4 P . ? 0.2040 0.1781 0.1692 0.0064 -0.0008 -0.0028 415 SF4 A FE2 -6098 FE FE3 . SF4 P . ? 0.2086 0.1802 0.1693 0.0022 0.0014 -0.0021 415 SF4 A FE3 -6099 FE FE4 . SF4 P . ? 0.2344 0.1992 0.1894 -0.0066 0.0188 -0.0055 415 SF4 A FE4 -6100 S S1 . SF4 P . ? 0.2258 0.1934 0.1668 -0.0005 0.0046 -0.0025 415 SF4 A S1 -6101 S S2 . SF4 P . ? 0.2094 0.1828 0.1723 -0.0101 -0.0039 -0.0041 415 SF4 A S2 -6102 S S3 . SF4 P . ? 0.2049 0.1874 0.1671 0.0028 0.0091 -0.0145 415 SF4 A S3 -6103 S S4 . SF4 P . ? 0.1993 0.1851 0.1836 0.0003 0.0033 -0.0047 415 SF4 A S4 -6104 O O . HOH Q . ? 0.7134 0.7416 0.4439 -0.1885 0.0267 -0.1275 501 HOH A O -6105 O O . HOH Q . ? 0.3592 0.5264 0.7312 -0.1169 0.0753 -0.2047 502 HOH A O -6106 O O . HOH Q . ? 0.4732 0.4657 0.3331 -0.0961 -0.1106 -0.0060 503 HOH A O -6107 O O . HOH Q . ? 0.7366 1.1517 0.3469 0.1789 -0.0311 0.0328 504 HOH A O -6108 O O . HOH Q . ? 0.4080 0.6132 0.6176 -0.0560 -0.0333 -0.2273 505 HOH A O -6109 O O . HOH Q . ? 0.7182 0.4486 0.7679 -0.2183 0.1167 -0.1068 506 HOH A O -6110 O O . HOH Q . ? 0.2871 0.2859 0.2456 0.0005 -0.0560 -0.0428 507 HOH A O -6111 O O . HOH Q . ? 0.3464 0.7455 0.2096 0.0074 -0.0391 -0.0786 508 HOH A O -6112 O O . HOH Q . ? 0.3654 0.5060 0.7769 -0.1311 -0.1131 0.2148 509 HOH A O -6113 O O . HOH Q . ? 0.3605 0.4981 0.4577 0.0154 0.0522 0.0793 510 HOH A O -6114 O O . HOH Q . ? 0.5208 0.9963 0.5104 0.3595 0.0627 0.0538 511 HOH A O -6115 O O . HOH Q . ? 0.1744 0.1989 0.1520 0.0047 -0.0435 0.0163 512 HOH A O -6116 O O . HOH Q . ? 0.3488 0.8327 0.3410 0.0431 0.0227 -0.1925 513 HOH A O -6117 O O . HOH Q . ? 0.7624 0.6711 0.8697 -0.2364 0.3428 -0.2836 514 HOH A O -6118 O O . HOH Q . ? 0.3402 0.5110 1.0496 0.0761 0.0166 -0.2193 515 HOH A O -6119 O O . HOH Q . ? 0.5801 0.5873 0.4861 0.0764 -0.0245 0.0214 516 HOH A O -6120 O O . HOH Q . ? 0.5989 0.7729 0.7858 0.2222 -0.1640 0.0352 517 HOH A O -6121 O O . HOH Q . ? 0.8734 0.8900 0.4562 0.0948 0.3151 0.1109 518 HOH A O -6122 O O . HOH Q . ? 0.5732 0.9447 0.3835 0.1023 0.1017 -0.0287 519 HOH A O -6123 O O . HOH Q . ? 0.4157 0.7282 0.8490 0.0768 -0.0070 0.3913 520 HOH A O -6124 O O . HOH Q . ? 0.5423 0.3303 0.3212 -0.1700 -0.1578 0.0322 521 HOH A O -6125 O O . HOH Q . ? 0.3394 0.2389 0.2844 -0.0532 0.0643 -0.0221 522 HOH A O -6126 O O . HOH Q . ? 0.5869 0.3078 0.2830 0.0510 0.0204 0.0345 523 HOH A O -6127 O O . HOH Q . ? 0.3947 0.5719 1.0141 -0.0726 0.2531 -0.1741 524 HOH A O -6128 O O . HOH Q . ? 0.6779 0.5593 0.9894 0.2031 0.0607 0.0497 525 HOH A O -6129 O O . HOH Q . ? 0.6956 0.8649 0.3433 0.2871 -0.0682 -0.0897 526 HOH A O -6130 O O . HOH Q . ? 0.6456 0.3463 0.8381 0.1306 -0.2329 0.0811 527 HOH A O -6131 O O . HOH Q . ? 0.4906 0.6108 0.4966 -0.2024 -0.0440 -0.0511 528 HOH A O -6132 O O . HOH Q . ? 0.4139 1.0621 0.5264 0.0872 -0.1032 -0.2426 529 HOH A O -6133 O O . HOH Q . ? 0.6792 0.7195 0.4206 -0.2738 -0.0567 0.2413 530 HOH A O -6134 O O . HOH Q . ? 0.4575 0.4236 0.6772 0.0370 -0.2776 0.1190 531 HOH A O -6135 O O . HOH Q . ? 0.3743 0.2420 0.4010 -0.0756 -0.0520 0.0246 532 HOH A O -6136 O O . HOH Q . ? 0.3834 0.4742 0.5668 -0.0530 0.0629 -0.0045 533 HOH A O -6137 O O . HOH Q . ? 0.5265 0.6932 0.2735 0.1736 -0.0038 0.0526 534 HOH A O -6138 O O . HOH Q . ? 0.5599 0.6102 0.2956 0.0924 0.0333 0.1187 535 HOH A O -6139 O O . HOH Q . ? 0.4402 0.5702 0.3297 0.1921 -0.0608 -0.1101 536 HOH A O -6140 O O . HOH Q . ? 0.2859 0.2689 0.2235 -0.0091 -0.0021 0.0501 537 HOH A O -6141 O O . HOH Q . ? 0.2252 0.2781 0.1999 0.0045 0.0256 0.0489 538 HOH A O -6142 O O . HOH Q . ? 0.3880 0.5756 0.6713 0.0306 0.1227 0.2252 539 HOH A O -6143 O O . HOH Q . ? 0.3333 0.3058 0.2450 -0.0746 -0.0040 -0.0625 540 HOH A O -6144 O O . HOH Q . ? 0.4635 0.3433 0.3124 0.0394 0.0359 0.0708 541 HOH A O -6145 O O . HOH Q . ? 0.7732 0.6088 0.6512 0.1421 0.0536 -0.2940 542 HOH A O -6146 O O . HOH Q . ? 0.7707 0.3511 0.3119 0.2049 -0.2053 -0.0722 543 HOH A O -6147 O O . HOH Q . ? 0.5599 0.3657 0.9209 -0.0381 0.2868 -0.0149 544 HOH A O -6148 O O . HOH Q . ? 0.8874 0.3892 1.0919 -0.2046 -0.0271 0.0574 545 HOH A O -6149 O O . HOH Q . ? 0.8264 0.4992 0.6369 0.3208 -0.2820 -0.1482 546 HOH A O -6150 O O . HOH Q . ? 0.3271 0.7405 0.2740 -0.0287 -0.0495 0.1795 547 HOH A O -6151 O O . HOH Q . ? 0.4129 0.3816 0.3651 -0.0743 -0.0394 0.0716 548 HOH A O -6152 O O . HOH Q . ? 0.3707 0.5110 0.2139 0.0576 -0.0166 -0.0325 549 HOH A O -6153 O O . HOH Q . ? 0.2323 0.2022 0.1879 0.0142 0.0224 0.0189 550 HOH A O -6154 O O . HOH Q . ? 0.4222 0.6147 0.4803 0.0962 0.2446 0.1244 551 HOH A O -6155 O O . HOH Q . ? 0.5579 0.3486 0.2331 0.0666 0.0670 0.0241 552 HOH A O -6156 O O . HOH Q . ? 0.4297 0.3086 0.2837 -0.1375 0.0497 -0.0094 553 HOH A O -6157 O O . HOH Q . ? 0.3050 0.3723 0.2883 -0.0058 0.0127 -0.0238 554 HOH A O -6158 O O . HOH Q . ? 0.6605 0.4929 0.9090 -0.1669 0.3521 0.0289 555 HOH A O -6159 O O . HOH Q . ? 0.6771 0.8806 0.4480 0.4164 -0.0560 -0.0333 556 HOH A O -6160 O O . HOH Q . ? 0.4982 0.3497 0.4671 0.0268 -0.1116 0.0636 557 HOH A O -6161 O O . HOH Q . ? 0.3410 0.2126 0.2695 0.0549 -0.0455 -0.0360 558 HOH A O -6162 O O . HOH Q . ? 0.2025 0.2270 0.1654 0.0311 0.0153 -0.0020 559 HOH A O -6163 O O . HOH Q . ? 0.9987 0.7158 0.4341 0.3739 -0.0139 -0.1349 560 HOH A O -6164 O O . HOH Q . ? 0.3441 0.3597 0.3560 0.0584 -0.0447 0.0940 561 HOH A O -6165 O O . HOH Q . ? 0.3317 0.5057 0.6739 0.0564 -0.1504 -0.2976 562 HOH A O -6166 O O . HOH Q . ? 0.2846 0.2694 0.2423 -0.0722 0.0110 0.0279 563 HOH A O -6167 O O . HOH Q . ? 0.4605 0.4203 0.2066 -0.0390 -0.0318 -0.0208 564 HOH A O -6168 O O . HOH Q . ? 0.4592 0.3698 0.4518 0.2314 0.0666 0.0397 565 HOH A O -6169 O O . HOH Q . ? 0.2356 0.2047 0.1973 -0.0111 0.0028 0.0039 566 HOH A O -6170 O O . HOH Q . ? 0.2889 0.2532 0.2091 0.0144 0.0004 0.0350 567 HOH A O -6171 O O . HOH Q . ? 0.2216 0.4202 0.7513 -0.0152 -0.0009 -0.0133 568 HOH A O -6172 O O . HOH Q . ? 0.6695 0.5003 0.7540 0.1931 -0.0337 -0.0319 569 HOH A O -6173 O O . HOH Q . ? 0.2703 0.2305 0.1942 0.0456 0.0128 -0.0101 570 HOH A O -6174 O O . HOH Q . ? 0.5098 0.6125 0.4336 0.2815 -0.1634 -0.0714 571 HOH A O -6175 O O . HOH Q . ? 0.3804 0.2410 0.3103 0.0856 0.0430 0.0216 572 HOH A O -6176 O O . HOH Q . ? 0.2712 0.1949 0.2819 -0.0107 0.0046 0.0095 573 HOH A O -6177 O O . HOH Q . ? 0.3965 0.5716 1.1145 -0.1510 -0.1730 0.0933 574 HOH A O -6178 O O . HOH Q . ? 0.3308 0.2753 0.2282 -0.0040 0.0188 0.0016 575 HOH A O -6179 O O . HOH Q . ? 0.6345 0.3912 0.5550 0.1028 -0.0197 -0.0647 576 HOH A O -6180 O O . HOH Q . ? 0.4145 0.7115 0.5781 0.1727 -0.0326 -0.0896 577 HOH A O -6181 O O . HOH Q . ? 0.3001 0.6577 1.0151 -0.0647 0.0152 0.0251 578 HOH A O -6182 O O . HOH Q . ? 0.2241 0.3028 0.2789 -0.0530 -0.0479 0.0256 579 HOH A O -6183 O O . HOH Q . ? 0.2042 0.2480 0.2303 -0.0106 -0.0088 0.0416 580 HOH A O -6184 O O . HOH Q . ? 0.3792 0.3657 0.2469 0.0477 0.0614 -0.0066 581 HOH A O -6185 O O . HOH Q . ? 0.2967 0.2106 0.2577 0.0148 -0.0078 0.0137 582 HOH A O -6186 O O . HOH Q . ? 0.6699 0.5032 0.3563 0.1651 0.0731 0.0059 583 HOH A O -6187 O O . HOH Q . ? 0.7403 0.4093 0.4291 -0.1109 0.0425 -0.0457 584 HOH A O -6188 O O . HOH Q . ? 0.5946 0.7395 0.5051 -0.0677 -0.0892 -0.0903 585 HOH A O -6189 O O . HOH Q . ? 0.7119 0.3109 0.6444 0.1410 -0.1336 -0.1713 586 HOH A O -6190 O O . HOH Q . ? 0.2753 0.7690 0.3356 -0.1432 -0.0186 0.1154 587 HOH A O -6191 O O . HOH Q . ? 0.3917 0.3534 0.4339 0.0256 0.0483 -0.0100 588 HOH A O -6192 O O . HOH Q . ? 0.3257 0.4034 0.2703 0.0447 0.0087 0.0805 589 HOH A O -6193 O O . HOH Q . ? 0.3949 0.2632 0.5360 -0.0475 -0.2332 0.0504 590 HOH A O -6194 O O . HOH Q . ? 0.2462 0.2229 0.1681 0.0242 -0.0201 -0.0190 591 HOH A O -6195 O O . HOH Q . ? 0.4164 0.5513 0.5026 0.0171 -0.1372 0.1665 592 HOH A O -6196 O O . HOH Q . ? 0.2252 0.1956 0.2757 0.0194 -0.0212 -0.0344 593 HOH A O -6197 O O . HOH Q . ? 0.4557 0.9437 1.0796 -0.1348 -0.2194 0.0931 594 HOH A O -6198 O O . HOH Q . ? 0.3719 0.8067 1.0129 -0.0103 0.0414 0.3975 595 HOH A O -6199 O O . HOH Q . ? 0.5345 0.4614 0.3835 -0.0437 -0.0947 -0.0931 596 HOH A O -6200 O O . HOH Q . ? 0.3875 0.2814 0.4953 0.0229 0.0606 0.0339 597 HOH A O -6201 O O . HOH Q . ? 0.2470 0.2808 0.2053 0.0254 0.0265 0.0388 598 HOH A O -6202 O O . HOH Q . ? 0.3598 0.2760 0.4983 -0.0375 0.1117 -0.0288 599 HOH A O -6203 O O . HOH Q . ? 0.2399 0.1979 0.2267 0.0109 -0.0304 -0.0376 600 HOH A O -6204 O O . HOH Q . ? 0.3251 0.3140 0.3818 -0.0226 -0.0041 -0.1129 601 HOH A O -6205 O O . HOH Q . ? 1.1359 0.3130 0.7795 0.0786 0.0204 0.0741 602 HOH A O -6206 O O . HOH Q . ? 0.9865 0.6447 1.0104 0.1036 0.0990 0.3813 603 HOH A O -6207 O O . HOH Q . ? 0.8270 0.6181 0.3382 0.3328 -0.0568 0.0654 604 HOH A O -6208 O O . HOH Q . ? 0.3261 0.3731 0.2182 0.0556 0.0540 -0.0206 605 HOH A O -6209 O O . HOH Q . ? 0.2902 0.3133 0.2774 0.0227 -0.0497 -0.0615 606 HOH A O -6210 O O . HOH Q . ? 0.9347 0.3371 0.8077 -0.1281 -0.2417 0.0530 607 HOH A O -6211 O O . HOH Q . ? 0.5457 0.5673 0.2481 -0.0880 0.1182 0.0238 608 HOH A O -6212 O O . HOH Q . ? 0.5361 0.4218 0.4559 0.0453 -0.1376 -0.0777 609 HOH A O -6213 O O . HOH Q . ? 0.3677 0.2568 0.3274 0.0095 0.0001 -0.0186 610 HOH A O -6214 O O . HOH Q . ? 0.2214 0.2485 0.2078 0.0044 0.0157 0.0234 611 HOH A O -6215 O O . HOH Q . ? 0.3141 0.3096 0.2625 0.0312 0.0327 0.0207 612 HOH A O -6216 O O . HOH Q . ? 0.2258 0.2761 0.1769 0.0163 -0.0066 0.0115 613 HOH A O -6217 O O . HOH Q . ? 0.6430 0.5066 0.5245 0.2175 -0.1039 -0.1333 614 HOH A O -6218 O O . HOH Q . ? 1.1231 0.4186 0.4778 0.1322 0.0071 0.0052 615 HOH A O -6219 O O . HOH Q . ? 0.3393 0.5554 0.2927 -0.0468 0.0441 -0.0132 616 HOH A O -6220 O O . HOH Q . ? 0.2487 0.2484 0.1524 -0.0134 -0.0115 -0.0034 617 HOH A O -6221 O O . HOH Q . ? 0.3004 0.3553 0.2938 -0.0234 -0.0258 0.0182 618 HOH A O -6222 O O . HOH Q . ? 0.2628 0.3167 0.2764 -0.0315 0.0119 -0.0456 619 HOH A O -6223 O O . HOH Q . ? 0.3442 0.2455 0.2997 -0.0050 -0.0371 0.0015 620 HOH A O -6224 O O . HOH Q . ? 0.4066 0.3798 0.3145 -0.1445 0.1002 -0.0851 621 HOH A O -6225 O O . HOH Q . ? 0.2917 0.4274 0.4605 0.0049 0.0433 0.0878 622 HOH A O -6226 O O . HOH Q . ? 0.6042 0.4101 0.5475 0.1708 -0.1786 0.0450 623 HOH A O -6227 O O . HOH Q . ? 0.5737 0.3570 0.7655 0.0967 0.2390 -0.0167 624 HOH A O -6228 O O . HOH Q . ? 0.5675 0.4846 0.4704 -0.0260 -0.0429 0.0843 625 HOH A O -6229 O O . HOH Q . ? 0.3603 0.2763 0.6903 0.0132 0.0362 0.0124 626 HOH A O -6230 O O . HOH Q . ? 0.3327 0.2417 0.2628 -0.0157 -0.0245 -0.0110 627 HOH A O -6231 O O . HOH Q . ? 0.3807 0.2602 0.3299 -0.0830 -0.0079 -0.0257 628 HOH A O -6232 O O . HOH Q . ? 0.6521 0.4787 0.8624 0.1858 -0.1140 -0.1427 629 HOH A O -6233 O O . HOH Q . ? 0.2833 0.2407 0.3185 0.0305 -0.0171 -0.0102 630 HOH A O -6234 O O . HOH Q . ? 0.3398 0.4551 0.4138 -0.1176 0.0833 0.0380 631 HOH A O -6235 O O . HOH Q . ? 0.2886 0.5034 0.2613 -0.0034 0.0645 -0.0024 632 HOH A O -6236 O O . HOH Q . ? 0.2891 0.5650 0.2679 -0.0932 0.0413 0.0250 633 HOH A O -6237 O O . HOH Q . ? 0.2736 0.3130 0.2638 0.0124 0.0073 0.0111 634 HOH A O -6238 O O . HOH Q . ? 0.2671 0.4182 0.3285 -0.0360 -0.0224 0.1070 635 HOH A O -6239 O O . HOH Q . ? 0.5254 0.5644 0.2613 0.2329 -0.0944 -0.0029 636 HOH A O -6240 O O . HOH Q . ? 0.3667 0.3725 0.3358 0.0217 -0.0087 0.0771 637 HOH A O -6241 O O . HOH Q . ? 0.6677 0.3540 0.7037 0.0477 0.1200 -0.0849 638 HOH A O -6242 O O . HOH Q . ? 0.7743 0.4904 0.6650 -0.1320 0.3314 0.1025 639 HOH A O -6243 O O . HOH Q . ? 0.2228 0.1731 0.1461 -0.0041 -0.0147 -0.0091 640 HOH A O -6244 O O . HOH Q . ? 0.3893 0.4511 0.3903 0.1851 -0.0288 -0.1039 641 HOH A O -6245 O O . HOH Q . ? 0.3742 0.4770 0.7032 0.0274 -0.1393 -0.3047 642 HOH A O -6246 O O . HOH Q . ? 0.4139 0.7108 0.3320 0.0476 -0.0317 0.2365 643 HOH A O -6247 O O . HOH Q . ? 0.4989 0.8537 0.6889 0.0466 -0.0464 0.1387 644 HOH A O -6248 O O . HOH Q . ? 0.3378 0.5706 0.7976 0.1145 0.0413 -0.1590 645 HOH A O -6249 O O . HOH Q . ? 0.3420 0.3245 0.2751 -0.0328 -0.0270 -0.0006 646 HOH A O -6250 O O . HOH Q . ? 0.5640 0.3423 0.5239 0.1616 0.2113 0.0435 647 HOH A O -6251 O O . HOH Q . ? 0.5613 0.3409 0.4979 -0.1171 0.1721 -0.1277 648 HOH A O -6252 O O . HOH Q . ? 0.2669 0.2479 0.2480 -0.0013 -0.0166 -0.0090 649 HOH A O -6253 O O . HOH Q . ? 0.3905 0.4291 0.3453 -0.0212 -0.0878 0.0326 650 HOH A O -6254 O O . HOH Q . ? 0.2910 0.2911 0.2419 0.0160 -0.0134 -0.0131 651 HOH A O -6255 O O . HOH Q . ? 0.4602 0.4603 0.4402 0.0044 -0.0596 0.0482 652 HOH A O -6256 O O . HOH Q . ? 0.3082 0.2578 0.4305 0.0403 -0.0762 -0.0972 653 HOH A O -6257 O O . HOH Q . ? 0.2819 0.2762 0.2687 -0.0463 -0.0024 -0.0730 654 HOH A O -6258 O O . HOH Q . ? 0.3350 0.3559 0.3799 0.0934 -0.0011 -0.0766 655 HOH A O -6259 O O . HOH Q . ? 0.4768 0.3204 0.6322 -0.0212 -0.0283 -0.2055 656 HOH A O -6260 O O . HOH Q . ? 0.2235 0.2055 0.2063 0.0062 0.0248 0.0447 657 HOH A O -6261 O O . HOH Q . ? 0.3419 0.8298 0.3523 0.0746 0.0704 0.0383 658 HOH A O -6262 O O . HOH Q . ? 0.5312 1.0282 0.4862 -0.2275 0.0138 -0.1839 659 HOH A O -6263 O O . HOH Q . ? 0.3590 0.2514 0.5441 0.0188 0.0198 -0.0892 660 HOH A O -6264 O O . HOH Q . ? 0.7734 1.0996 0.4640 -0.2550 -0.0954 0.1619 661 HOH A O -6265 O O . HOH Q . ? 0.5771 0.2107 0.2162 0.0766 0.0446 0.0229 662 HOH A O -6266 O O . HOH Q . ? 0.4148 0.4334 0.2053 0.0759 -0.0183 -0.0368 663 HOH A O -6267 O O . HOH Q . ? 0.2776 0.4022 0.3225 -0.0381 0.0143 -0.0830 664 HOH A O -6268 O O . HOH Q . ? 0.3833 0.4354 0.4511 -0.1359 -0.0592 0.1091 665 HOH A O -6269 O O . HOH Q . ? 0.5920 0.7813 0.7713 -0.1056 0.0111 -0.0418 666 HOH A O -6270 O O . HOH Q . ? 0.2066 0.2001 0.1836 0.0210 0.0002 -0.0159 667 HOH A O -6271 O O . HOH Q . ? 0.7724 0.8968 0.6193 -0.1318 -0.1530 0.2453 668 HOH A O -6272 O O . HOH Q . ? 0.6756 0.3651 0.3534 -0.1918 0.2149 -0.1342 669 HOH A O -6273 O O . HOH Q . ? 0.5775 0.5800 1.0676 -0.0237 -0.2254 -0.1912 670 HOH A O -6274 O O . HOH Q . ? 0.3541 0.2046 0.2523 0.0564 0.0036 0.0070 671 HOH A O -6275 O O . HOH Q . ? 0.2499 0.1887 0.1848 0.0298 -0.0208 -0.0032 672 HOH A O -6276 O O . HOH Q . ? 0.2268 0.1578 0.2060 -0.0279 0.0022 0.0134 673 HOH A O -6277 O O . HOH Q . ? 0.2027 0.2145 0.1905 0.0207 -0.0225 -0.0253 674 HOH A O -6278 O O . HOH Q . ? 0.6962 0.3710 0.3171 -0.1564 0.1116 0.0758 675 HOH A O -6279 O O . HOH Q . ? 0.7534 0.6677 0.3898 -0.1037 0.2218 0.1438 676 HOH A O -6280 O O . HOH Q . ? 0.3714 0.4128 0.3406 0.0451 -0.0761 -0.0909 677 HOH A O -6281 O O . HOH Q . ? 0.5454 0.6180 0.2573 -0.1802 -0.0571 0.1268 678 HOH A O -6282 O O . HOH Q . ? 0.8136 0.5410 0.5449 0.1164 0.2055 0.1451 679 HOH A O -6283 O O . HOH Q . ? 0.2893 0.4304 0.7239 0.1018 -0.0110 0.1880 680 HOH A O -6284 O O . HOH Q . ? 0.4143 0.3784 0.2275 0.1845 0.0211 -0.0038 681 HOH A O -6285 O O . HOH Q . ? 0.2918 0.3144 0.5068 -0.0807 -0.0026 -0.0158 682 HOH A O -6286 O O . HOH Q . ? 0.3031 0.3313 0.3670 -0.0058 0.0640 0.0371 683 HOH A O -6287 O O . HOH Q . ? 0.5834 0.4675 0.4449 0.1886 -0.1189 -0.1163 684 HOH A O -6288 O O . HOH Q . ? 0.2272 0.8212 0.2546 -0.0001 -0.0032 0.1533 685 HOH A O -6289 O O . HOH Q . ? 0.3030 0.4712 0.3710 0.0072 0.0619 0.0534 686 HOH A O -6290 O O . HOH Q . ? 0.3444 0.3285 0.4129 0.0299 -0.1720 0.0453 687 HOH A O -6291 O O . HOH Q . ? 0.4190 0.6136 0.8463 -0.1574 0.2151 0.0139 688 HOH A O -6292 O O . HOH Q . ? 0.4712 0.4808 0.4017 0.1434 0.1115 0.0029 689 HOH A O -6293 O O . HOH Q . ? 0.6202 0.4296 0.4523 -0.0128 -0.0921 0.1290 690 HOH A O -6294 O O . HOH Q . ? 0.7178 0.5420 0.6725 0.2135 -0.2781 -0.2153 691 HOH A O -6295 O O . HOH Q . ? 0.7386 0.6001 0.5895 0.3508 -0.2951 -0.2397 692 HOH A O -6296 O O . HOH Q . ? 0.7157 0.3918 0.5119 -0.0614 0.1844 -0.0629 693 HOH A O -6297 O O . HOH Q . ? 0.4393 0.2862 1.1058 0.0061 0.0215 0.0791 694 HOH A O -6298 O O . HOH Q . ? 0.4191 0.6270 0.6252 0.1892 -0.2431 -0.1304 695 HOH A O -6299 O O . HOH Q . ? 0.5755 0.2603 0.7627 -0.0189 0.1121 0.0290 696 HOH A O -6300 O O . HOH Q . ? 0.4768 0.3206 0.2205 0.0245 -0.0418 0.0187 697 HOH A O -6301 O O . HOH Q . ? 0.3750 0.3095 0.4289 0.0637 -0.0631 -0.0774 698 HOH A O -6302 O O . HOH Q . ? 0.3516 0.3502 0.3818 0.0016 0.0535 0.1512 699 HOH A O -6303 O O . HOH Q . ? 1.0455 0.5576 0.4308 -0.0744 -0.0752 0.1473 700 HOH A O -6304 O O B HOH Q . ? 0.4355 0.3026 0.2751 -0.0024 0.0709 -0.0654 701 HOH A O -6305 O O . HOH Q . ? 0.3703 0.3102 0.3232 0.0163 -0.0653 0.0233 702 HOH A O -6306 O O . HOH Q . ? 0.5811 0.6779 0.3489 0.1433 0.0445 -0.1946 703 HOH A O -6307 O O . HOH Q . ? 0.2662 0.4877 0.4519 -0.0320 -0.0090 -0.0048 704 HOH A O -6308 O O . HOH Q . ? 0.6476 0.4062 0.7220 -0.0936 0.1481 -0.2780 705 HOH A O -6309 O O . HOH Q . ? 0.7700 0.4225 0.8116 0.2051 -0.0268 0.0287 706 HOH A O -6310 O O . HOH Q . ? 0.6749 0.2876 0.4679 -0.0126 -0.0584 0.1255 707 HOH A O -6311 O O . HOH Q . ? 0.5979 0.2310 0.2362 0.0599 -0.0365 0.0513 708 HOH A O -6312 O O . HOH Q . ? 0.4262 0.4280 0.2269 0.0036 -0.0167 -0.0406 709 HOH A O -6313 O O . HOH Q . ? 0.5678 0.6499 0.7662 0.1937 0.0558 -0.0220 710 HOH A O -6314 O O . HOH Q . ? 0.3492 0.3017 0.3110 0.0061 -0.0032 0.0014 711 HOH A O -6315 O O . HOH Q . ? 0.1891 0.1559 0.1646 0.0055 0.0061 0.0188 712 HOH A O -6316 O O . HOH Q . ? 0.3207 0.3761 0.2695 0.0823 -0.0141 0.0546 713 HOH A O -6317 O O . HOH Q . ? 0.4685 0.8619 0.5141 0.0806 0.0062 -0.0325 714 HOH A O -6318 O O . HOH Q . ? 0.4731 0.4283 0.8803 -0.1116 0.2106 -0.0631 715 HOH A O -6319 O O B HOH Q . ? 0.3331 0.1877 0.2576 -0.0120 -0.0583 -0.0183 716 HOH A O -6320 O O . HOH Q . ? 0.4295 0.5809 0.7887 -0.0193 -0.0855 0.0306 717 HOH A O -6321 O O . HOH Q . ? 0.5930 0.7105 0.4702 0.0141 -0.2190 0.2071 718 HOH A O -6322 O O . HOH Q . ? 0.4169 0.5421 0.4279 -0.1767 0.0243 0.2082 719 HOH A O -6323 O O . HOH Q . ? 0.4962 0.5118 0.7822 -0.0813 -0.0892 0.1018 720 HOH A O -6324 O O . HOH Q . ? 0.4664 0.2495 0.4006 0.0425 0.0328 -0.0141 721 HOH A O -6325 O O . HOH Q . ? 0.4260 0.4105 0.3530 -0.0690 -0.1586 -0.0298 722 HOH A O -6326 O O . HOH Q . ? 0.2661 0.2673 0.3000 0.0058 -0.0141 -0.0320 723 HOH A O -6327 O O . HOH Q . ? 0.5960 0.2160 0.2459 0.1512 0.0210 -0.0009 724 HOH A O -6328 O O . HOH Q . ? 0.8951 0.6634 0.5919 -0.2385 0.3717 -0.0788 725 HOH A O -6329 O O . HOH Q . ? 0.3586 0.3557 0.4543 0.0556 0.1487 -0.0264 726 HOH A O -6330 O O . HOH Q . ? 0.3445 0.2985 0.4051 -0.0441 -0.0787 0.0125 727 HOH A O -6331 O O . HOH Q . ? 0.3774 0.2823 0.2097 0.0280 0.0633 -0.0589 728 HOH A O -6332 O O . HOH Q . ? 0.3829 0.4320 0.3339 -0.0168 -0.0100 0.1089 729 HOH A O -6333 O O . HOH Q . ? 0.3741 0.5262 0.7654 0.1432 -0.1866 -0.3504 730 HOH A O -6334 O O . HOH Q . ? 0.2983 0.3362 0.4520 -0.0245 -0.0421 0.0250 731 HOH A O -6335 O O . HOH Q . ? 0.2419 0.5666 0.4044 0.0567 -0.0026 0.1102 732 HOH A O -6336 O O . HOH Q . ? 0.7654 0.4031 0.2447 -0.0727 0.0380 -0.0211 733 HOH A O -6337 O O . HOH Q . ? 0.4136 0.4478 0.3479 -0.0248 0.0131 -0.1505 734 HOH A O -6338 O O . HOH Q . ? 0.3546 0.4024 0.5608 0.0577 0.0894 -0.0072 735 HOH A O -6339 O O . HOH Q . ? 0.2602 0.2694 0.2444 -0.0001 0.0700 0.0476 736 HOH A O -6340 O O . HOH Q . ? 0.4320 0.3682 0.6709 -0.0173 -0.0623 0.0057 737 HOH A O -6341 O O . HOH Q . ? 0.8885 0.3896 0.7249 -0.0697 0.0294 -0.2088 738 HOH A O -6342 O O . HOH Q . ? 0.3704 0.5001 0.5884 0.0770 -0.1032 0.0488 739 HOH A O -6343 O O . HOH Q . ? 0.7731 0.6532 0.6227 -0.0172 -0.1098 -0.0375 740 HOH A O -6344 O O . HOH Q . ? 0.5975 0.3687 0.4075 -0.1239 0.1243 -0.1469 741 HOH A O -6345 O O . HOH Q . ? 0.2955 0.4062 0.2179 0.0355 -0.0012 0.0476 742 HOH A O -6346 O O . HOH Q . ? 0.4372 0.3472 0.3236 0.0504 -0.0643 -0.0760 743 HOH A O -6347 O O . HOH Q . ? 0.7064 0.6271 0.4532 0.1179 0.0966 0.2066 744 HOH A O -6348 O O . HOH Q . ? 0.2660 0.2846 0.2833 0.0213 -0.0154 0.0751 745 HOH A O -6349 O O . HOH Q . ? 0.3973 0.3716 0.7159 -0.0306 0.0600 0.1760 746 HOH A O -6350 O O . HOH Q . ? 0.3304 0.4398 0.4628 0.0311 -0.0665 0.0231 747 HOH A O -6351 O O . HOH Q . ? 0.5572 0.3895 0.4843 -0.0205 0.0396 0.1125 748 HOH A O -6352 O O . HOH Q . ? 0.2735 0.6247 0.3424 0.0110 -0.0667 -0.0645 749 HOH A O -6353 O O . HOH Q . ? 0.7881 0.6054 0.5413 0.1448 0.2380 0.1751 750 HOH A O -6354 O O . HOH Q . ? 0.8159 0.4805 0.6551 0.1341 0.0683 -0.0999 751 HOH A O -6355 O O . HOH Q . ? 0.5004 0.4313 0.3887 0.2047 0.0813 -0.0219 752 HOH A O -6356 O O . HOH Q . ? 0.3040 0.2669 0.2413 0.0149 0.0051 0.0405 753 HOH A O -6357 O O . HOH Q . ? 0.7844 0.5744 0.4768 -0.2569 0.0221 -0.1170 754 HOH A O -6358 O O . HOH Q . ? 0.4815 0.5795 0.2788 -0.1410 0.0284 0.0297 755 HOH A O -6359 O O . HOH Q . ? 0.4557 0.7729 0.6978 0.0227 -0.1049 0.3240 756 HOH A O -6360 O O . HOH Q . ? 0.8127 0.3299 0.3166 0.1728 0.1941 0.0848 757 HOH A O -6361 O O . HOH Q . ? 0.2992 0.5549 0.3423 0.0540 0.0320 0.1239 758 HOH A O -6362 O O . HOH Q . ? 0.8903 0.6311 0.5799 -0.0599 0.1930 -0.0376 759 HOH A O -6363 O O . HOH Q . ? 0.3474 0.5480 1.2695 -0.0333 -0.0672 0.1691 760 HOH A O -6364 O O . HOH Q . ? 0.6790 0.5842 0.2868 0.2606 0.0540 0.1318 761 HOH A O -6365 O O . HOH Q . ? 0.3592 0.9310 0.3274 -0.0568 0.0434 -0.2169 762 HOH A O -6366 O O . HOH Q . ? 0.4298 0.2287 0.2763 0.0180 0.0704 0.0291 763 HOH A O -6367 O O . HOH Q . ? 0.7935 0.2879 0.5203 0.0266 -0.0832 -0.0798 764 HOH A O -6368 O O . HOH Q . ? 0.3504 0.3835 0.4078 -0.1035 -0.1051 0.0415 765 HOH A O -6369 O O . HOH Q . ? 0.7302 0.3062 0.6132 -0.0582 -0.2092 -0.0325 766 HOH A O -6370 O O . HOH Q . ? 0.3033 0.4044 0.3483 0.0343 0.0952 -0.0364 767 HOH A O -6371 O O . HOH Q . ? 0.4835 0.9521 0.3608 0.1640 -0.0304 0.2063 768 HOH A O -6372 O O . HOH Q . ? 0.9006 0.5232 0.5273 0.1508 -0.2757 -0.1663 769 HOH A O -6373 O O . HOH Q . ? 0.8202 0.9151 0.5301 0.1649 -0.1036 -0.3347 770 HOH A O -6374 O O A HOH Q . ? 0.5613 0.5965 0.4355 0.2362 0.1441 0.1583 771 HOH A O -6375 O O B HOH Q . ? 0.3358 0.2166 0.2529 -0.0864 -0.0780 0.0707 771 HOH A O -6376 O O . HOH Q . ? 0.5371 0.8574 1.0462 0.1631 0.1206 0.5399 772 HOH A O -6377 O O . HOH Q . ? 0.6625 0.8869 0.5993 0.0480 -0.3357 -0.0330 773 HOH A O -6378 O O . HOH Q . ? 0.2297 0.2645 0.3686 -0.0424 -0.0147 -0.0168 774 HOH A O -6379 O O . HOH Q . ? 0.3131 0.6280 0.7833 -0.0861 -0.1162 0.2887 775 HOH A O -6380 O O . HOH Q . ? 0.5991 0.5063 0.5527 0.2210 -0.1022 0.0370 776 HOH A O -6381 O O . HOH Q . ? 0.5621 0.6646 0.3910 0.1844 -0.0581 -0.1444 777 HOH A O -6382 O O . HOH Q . ? 1.0020 0.5028 0.4631 0.0542 -0.1352 -0.0968 778 HOH A O -6383 O O . HOH Q . ? 0.3915 0.3777 0.4295 0.0703 0.0242 -0.0286 779 HOH A O -6384 O O . HOH Q . ? 0.8170 0.6450 0.4137 -0.1989 0.1348 0.0368 780 HOH A O -6385 O O . HOH Q . ? 0.5968 0.5792 0.7375 -0.0581 0.0254 -0.2987 781 HOH A O -6386 O O . HOH Q . ? 0.4274 0.4732 0.8601 -0.0990 -0.0526 -0.1307 782 HOH A O -6387 O O . HOH Q . ? 0.2288 0.5554 0.3216 -0.0285 0.0419 0.1657 783 HOH A O -6388 O O . HOH Q . ? 0.7554 0.5148 0.4738 -0.0299 -0.2847 -0.0287 784 HOH A O -6389 O O . HOH Q . ? 0.9633 0.2872 0.2772 0.1504 -0.0560 -0.0004 785 HOH A O -6390 O O . HOH Q . ? 1.0168 0.6587 0.5479 0.1765 0.0463 0.1824 786 HOH A O -6391 O O . HOH Q . ? 0.8299 0.7970 0.9448 -0.0535 0.2563 -0.1331 787 HOH A O -6392 O O . HOH Q . ? 0.7884 0.4502 0.7612 -0.1780 -0.2596 0.0751 788 HOH A O -6393 O O . HOH Q . ? 0.8048 0.3749 0.6638 0.0261 0.0239 0.1073 789 HOH A O -6394 O O . HOH Q . ? 0.6910 0.5314 0.5369 -0.1296 -0.0741 0.1168 790 HOH A O -6395 O O . HOH Q . ? 0.4726 0.6887 0.7288 -0.0201 0.0455 -0.1060 791 HOH A O -6396 O O . HOH Q . ? 0.6476 0.6463 0.7232 0.1548 0.0288 0.1360 792 HOH A O -6397 O O . HOH Q . ? 0.8591 0.5020 0.6376 -0.0340 0.0966 0.0920 793 HOH A O -6398 O O . HOH Q . ? 0.7101 0.3262 1.0575 -0.0381 -0.1343 -0.1555 794 HOH A O -6399 O O . HOH Q . ? 0.8332 0.5795 0.6234 0.2820 -0.2286 -0.0906 795 HOH A O -6400 O O . HOH Q . ? 0.5359 0.8046 0.5561 0.0419 -0.2735 -0.1666 796 HOH A O -6401 O O . HOH Q . ? 0.4209 0.3329 0.3048 0.1313 -0.0043 0.0244 797 HOH A O -6402 O O . HOH Q . ? 0.3621 0.3931 0.4225 -0.0125 -0.0549 -0.0587 798 HOH A O -6403 O O . HOH Q . ? 0.6796 0.5931 0.8048 0.1599 -0.1876 -0.1934 799 HOH A O -6404 O O . HOH Q . ? 0.8271 0.5270 0.6188 0.1161 -0.1684 -0.0295 800 HOH A O -6405 O O . HOH Q . ? 0.5771 0.6289 0.9144 0.1884 -0.0837 0.0890 801 HOH A O -6406 O O . HOH Q . ? 0.5480 0.8706 0.3749 0.0763 0.0192 0.0473 802 HOH A O -6407 O O . HOH Q . ? 0.8951 0.5616 0.5945 0.1794 -0.2489 -0.2558 803 HOH A O -6408 O O . HOH Q . ? 0.5251 0.5505 0.4360 0.0699 -0.1894 -0.2188 804 HOH A O -6409 O O . HOH Q . ? 0.4728 0.7535 0.4232 -0.1555 -0.0433 0.0168 805 HOH A O -6410 O O . HOH Q . ? 0.5941 0.6553 0.6582 0.0673 -0.1287 -0.2036 806 HOH A O -6411 O O . HOH Q . ? 0.5797 0.7817 0.4910 0.3175 -0.1677 -0.2999 807 HOH A O -6412 O O . HOH Q . ? 0.3815 0.5479 0.2694 0.1912 0.0232 0.0326 808 HOH A O -6413 O O A HOH Q . ? 0.4700 0.3587 0.4609 -0.0680 0.0339 -0.0352 809 HOH A O -6414 O O . HOH Q . ? 0.4840 0.4355 0.5352 -0.0257 -0.2164 0.0218 810 HOH A O -6415 O O . HOH Q . ? 0.5878 0.7862 0.6136 0.0521 0.0377 0.1939 811 HOH A O -6416 O O . HOH Q . ? 1.0437 0.4017 0.8485 -0.2193 0.1958 -0.0109 812 HOH A O -6417 O O . HOH Q . ? 0.6161 0.4809 0.8024 -0.1265 -0.2149 -0.1294 813 HOH A O -6418 O O . HOH Q . ? 0.2799 0.4252 0.4913 -0.0370 0.0409 0.1573 814 HOH A O -6419 O O . HOH Q . ? 0.5129 0.4866 0.4149 -0.0791 0.0300 -0.0495 815 HOH A O -6420 O O . HOH Q . ? 0.6604 0.3077 0.7707 0.0328 0.1150 -0.1034 816 HOH A O -6421 O O . HOH Q . ? 0.6824 0.4738 0.9015 -0.0746 0.2640 -0.2674 817 HOH A O -6422 O O . HOH Q . ? 0.9548 0.7094 0.6999 0.4138 -0.1338 -0.0163 818 HOH A O -6423 O O . HOH Q . ? 0.5667 0.7803 0.5306 0.1854 -0.1300 -0.2572 819 HOH A O -6424 O O . HOH Q . ? 0.6998 1.1501 0.8955 0.0193 -0.1627 0.1244 820 HOH A O -6425 O O . HOH Q . ? 0.8060 0.4382 0.4546 -0.1026 0.1761 -0.1014 821 HOH A O -6426 O O . HOH Q . ? 0.5733 0.7020 0.3099 0.0291 -0.0850 -0.0053 822 HOH A O -6427 O O . HOH Q . ? 0.7499 0.6637 0.6828 0.3374 -0.0904 -0.0209 823 HOH A O -6428 O O . HOH Q . ? 0.8650 0.4630 0.7432 -0.1601 -0.0355 -0.1606 824 HOH A O -6429 O O . HOH Q . ? 0.4319 0.9385 0.7246 0.2020 -0.1919 -0.2212 825 HOH A O -6430 O O . HOH Q . ? 0.3435 0.4032 0.3404 0.0130 -0.0410 -0.0176 826 HOH A O -6431 O O . HOH Q . ? 0.6262 0.3624 0.2616 -0.0477 -0.0343 0.0234 827 HOH A O -6432 O O . HOH Q . ? 0.7337 0.4440 0.6220 0.1827 -0.0780 -0.1225 828 HOH A O -6433 O O . HOH Q . ? 0.5538 0.5247 0.3088 -0.0360 0.0085 0.0055 829 HOH A O -6434 O O . HOH Q . ? 0.4720 0.3275 0.4247 -0.2061 0.1011 0.0162 830 HOH A O -6435 O O . HOH Q . ? 0.6163 1.1107 0.8738 -0.0372 0.2069 0.1748 831 HOH A O -6436 O O . HOH Q . ? 0.6562 0.3698 0.9841 -0.0115 0.0077 0.1257 832 HOH A O -6437 O O . HOH Q . ? 0.3006 0.5175 0.2897 -0.0454 -0.0677 0.0666 833 HOH A O -6438 O O . HOH Q . ? 0.3386 0.4232 0.4604 0.0418 0.0327 0.1868 834 HOH A O -6439 O O . HOH Q . ? 0.7220 0.5932 0.4810 0.0798 0.0008 -0.1393 835 HOH A O -6440 O O . HOH Q . ? 0.8240 0.7835 0.3548 -0.0516 0.0772 0.1439 836 HOH A O -6441 O O . HOH Q . ? 0.6047 0.8590 0.7351 -0.1621 -0.1059 -0.2020 837 HOH A O -6442 O O . HOH Q . ? 0.8139 0.5424 0.5894 0.3813 0.0164 0.0422 838 HOH A O -6443 O O . HOH Q . ? 0.5659 0.4777 0.5457 0.0191 0.1005 -0.0918 839 HOH A O -6444 O O . HOH Q . ? 0.7130 0.6815 0.6673 0.1083 0.1873 -0.0667 840 HOH A O -6445 O O . HOH Q . ? 0.6788 0.8754 0.6751 -0.0851 0.1952 -0.0275 841 HOH A O -6446 O O . HOH Q . ? 0.5052 0.4271 0.9239 0.0303 0.0758 0.1835 842 HOH A O -6447 O O . HOH Q . ? 0.8880 0.5099 0.7274 -0.2242 -0.0351 0.1132 843 HOH A O -6448 O O . HOH Q . ? 0.4528 0.7283 0.4972 -0.0448 -0.0683 -0.1869 844 HOH A O -6449 O O . HOH Q . ? 1.0358 0.5181 0.3689 0.3500 0.0588 0.0133 845 HOH A O -6450 O O . HOH Q . ? 0.6427 0.3133 0.4470 -0.0171 0.1453 0.0493 846 HOH A O -6451 O O . HOH Q . ? 0.3433 0.3406 0.4070 -0.0508 0.0579 -0.0196 847 HOH A O -6452 O O . HOH Q . ? 0.4178 0.6563 0.9521 -0.1338 0.0764 -0.1104 848 HOH A O -6453 O O . HOH Q . ? 0.9256 0.5721 0.4418 0.1912 -0.3111 -0.0660 849 HOH A O -6454 O O . HOH Q . ? 0.5009 0.7203 0.4360 -0.1221 0.1796 -0.0268 850 HOH A O -6455 O O . HOH Q . ? 0.6924 0.6152 0.5853 0.0497 -0.0331 0.1355 851 HOH A O -6456 O O . HOH Q . ? 0.9110 0.3387 0.6320 -0.0883 0.2262 0.1002 852 HOH A O -6457 O O . HOH Q . ? 0.3114 0.6269 0.4638 -0.0591 0.0872 0.0614 853 HOH A O -6458 O O . HOH Q . ? 0.6865 0.7276 0.4494 0.1207 0.0322 0.2510 854 HOH A O -6459 O O . HOH Q . ? 0.6344 0.6086 0.4738 -0.2669 0.0054 0.0360 855 HOH A O -6460 O O . HOH Q . ? 1.1332 0.5195 0.7783 -0.0226 -0.1341 -0.2102 856 HOH A O -6461 O O . HOH Q . ? 0.6704 0.4627 0.7718 -0.1547 0.1176 0.0416 857 HOH A O -6462 O O . HOH Q . ? 0.5406 0.5007 0.5693 0.1619 -0.1331 -0.0905 858 HOH A O -6463 O O . HOH Q . ? 0.4563 0.5155 0.5500 0.1229 -0.0009 -0.0880 859 HOH A O -6464 O O . HOH Q . ? 0.3991 0.3168 0.3627 0.0253 0.0347 0.0019 860 HOH A O -6465 O O . HOH Q . ? 0.3406 0.5410 1.0810 0.1140 -0.0990 -0.1135 861 HOH A O -6466 O O . HOH Q . ? 0.3900 0.3099 0.3231 0.1209 0.0471 0.0661 862 HOH A O -6467 O O . HOH Q . ? 0.9694 0.9540 0.8029 0.1696 -0.1218 -0.0648 863 HOH A O -6468 O O . HOH Q . ? 0.5086 0.5638 0.6042 -0.1037 0.0310 -0.1219 864 HOH A O -6469 O O . HOH Q . ? 0.4517 0.6174 0.9757 -0.0343 0.0584 -0.2036 865 HOH A O -6470 O O . HOH Q . ? 0.7253 0.8583 0.3626 -0.1662 0.0823 0.0172 866 HOH A O -6471 O O . HOH Q . ? 0.5515 0.8791 0.4633 0.1583 -0.0475 -0.0715 867 HOH A O -6472 O O . HOH Q . ? 0.4849 0.5425 0.7323 -0.0819 -0.0896 0.0341 868 HOH A O -6473 O O . HOH Q . ? 0.4496 0.4610 0.8563 -0.0608 -0.0120 -0.1835 869 HOH A O -6474 O O . HOH Q . ? 0.8829 0.7446 0.5457 -0.2078 -0.1871 -0.1694 870 HOH A O -6475 O O . HOH Q . ? 0.4762 1.0801 0.5182 0.1164 -0.0606 -0.0767 871 HOH A O -6476 O O . HOH Q . ? 0.3540 0.3280 0.2563 -0.0561 0.0034 0.0537 872 HOH A O -6477 O O B HOH Q . ? 0.4030 0.7385 0.7380 0.0753 -0.0167 -0.2548 873 HOH A O -6478 O O . HOH Q . ? 0.8073 0.6298 0.3328 0.2743 0.0756 -0.0129 874 HOH A O -6479 O O . HOH Q . ? 0.3654 0.5550 0.4905 0.0901 0.0731 0.1775 875 HOH A O -6480 O O . HOH Q . ? 0.5483 0.4675 0.5619 -0.0764 -0.1509 -0.0800 876 HOH A O -6481 O O . HOH Q . ? 0.4041 0.7102 0.4240 -0.0167 -0.0439 -0.0944 877 HOH A O -6482 O O . HOH Q . ? 0.5242 0.4362 0.3308 -0.0850 0.0731 0.1187 878 HOH A O -6483 O O . HOH Q . ? 0.6369 0.6855 0.5113 0.0271 -0.0026 -0.1047 879 HOH A O -6484 O O . HOH Q . ? 0.3624 0.6822 0.6741 0.0297 0.0381 -0.2576 880 HOH A O -6485 O O . HOH Q . ? 0.5481 0.4679 0.3503 0.1324 0.0330 0.0941 881 HOH A O -6486 O O . HOH Q . ? 0.5447 0.3386 0.8114 -0.0444 0.2904 -0.1251 882 HOH A O -6487 O O . HOH Q . ? 0.2965 0.5756 0.3711 -0.0302 -0.0764 0.0343 883 HOH A O -6488 O O . HOH Q . ? 0.4979 0.4863 0.6246 0.1438 0.1649 -0.0392 884 HOH A O -6489 O O . HOH Q . ? 0.5930 0.4492 0.5032 -0.0730 0.1596 -0.0490 885 HOH A O -6490 O O . HOH Q . ? 0.4839 0.7018 0.6239 -0.1044 -0.1333 0.1885 886 HOH A O -6491 O O . HOH Q . ? 0.5149 0.3867 0.4364 -0.0291 0.0190 -0.0137 887 HOH A O -6492 O O . HOH Q . ? 0.3797 0.3712 1.1245 0.0002 0.0332 0.1160 888 HOH A O -6493 O O . HOH Q . ? 0.3965 0.6099 0.8942 -0.0397 -0.1617 -0.0234 889 HOH A O -6494 O O . HOH Q . ? 0.6224 0.7726 0.5666 -0.2128 0.0248 0.1114 890 HOH A O -6495 O O . HOH Q . ? 0.7313 0.7023 0.7370 0.1053 -0.0374 -0.0679 891 HOH A O -6496 O O . HOH Q . ? 0.6014 0.5162 0.8951 0.1106 0.3370 0.3034 892 HOH A O -6497 O O . HOH Q . ? 0.4234 0.7366 0.4660 -0.0525 0.1742 -0.0240 893 HOH A O -6498 O O . HOH Q . ? 0.7370 0.7096 0.6152 0.1680 -0.1245 0.1631 894 HOH A O -6499 O O . HOH Q . ? 0.4913 0.5341 0.4451 -0.0286 -0.0204 0.1609 895 HOH A O -6500 O O . HOH Q . ? 0.4632 0.8859 0.3690 0.2796 0.0743 0.1762 896 HOH A O -6501 O O . HOH Q . ? 0.3132 0.6469 0.2358 0.0474 -0.0389 -0.0404 897 HOH A O -6502 O O . HOH Q . ? 0.5012 0.8351 0.7870 -0.0751 0.1728 0.1825 898 HOH A O -6503 O O . HOH Q . ? 0.8030 0.5759 0.8082 0.3033 0.0424 -0.1831 899 HOH A O -6504 O O . HOH Q . ? 1.0139 0.5698 0.9807 0.0321 0.2829 0.3535 900 HOH A O -6505 O O . HOH Q . ? 0.7541 0.7090 0.5969 -0.0529 0.2721 -0.0842 901 HOH A O -6506 O O . HOH Q . ? 0.3052 0.5448 0.3990 -0.1184 0.0100 0.0701 902 HOH A O -6507 O O . HOH Q . ? 0.5001 0.5240 0.3732 -0.1086 0.1341 -0.0316 903 HOH A O -6508 O O . HOH Q . ? 0.3986 0.7040 0.7672 0.0300 0.0639 -0.2474 904 HOH A O -6509 O O . HOH Q . ? 0.6381 0.4377 0.9544 -0.1367 -0.0353 0.0790 905 HOH A O -6510 O O . HOH Q . ? 0.3049 0.5310 0.3983 -0.0681 0.0433 0.0479 906 HOH A O -6511 O O . HOH Q . ? 0.6279 0.7086 0.6827 0.1992 -0.0389 0.1706 907 HOH A O -6512 O O . HOH Q . ? 0.4631 0.5288 0.7064 0.0432 0.1710 0.1269 908 HOH A O -6513 O O A HOH Q . ? 0.3508 0.5614 0.3066 -0.0970 0.0006 0.1279 909 HOH A O -6514 O O . HOH Q . ? 0.7772 0.5162 0.6832 0.0508 0.0416 -0.1423 910 HOH A O -6515 O O . HOH Q . ? 0.6510 0.6294 0.7147 -0.1090 -0.0977 -0.0188 911 HOH A O -6516 O O . HOH Q . ? 0.6849 0.7050 0.7026 0.0641 -0.0676 -0.1199 912 HOH A O -6517 O O . HOH Q . ? 0.6721 0.4298 0.6173 -0.2101 0.0112 -0.1224 913 HOH A O -6518 O O . HOH Q . ? 1.2277 0.9269 0.8128 -0.1113 0.0997 -0.2761 914 HOH A O -6519 O O . HOH Q . ? 0.4738 0.7031 0.4103 -0.0812 0.0177 0.2403 915 HOH A O -6520 O O . HOH Q . ? 0.4380 0.7520 0.3128 -0.0605 -0.0188 -0.0552 916 HOH A O -6521 O O . HOH Q . ? 0.7689 0.4008 0.9329 -0.2823 -0.0653 -0.0034 917 HOH A O -6522 O O . HOH Q . ? 0.5278 0.9467 0.6618 0.0148 0.0773 0.1133 918 HOH A O -6523 O O . HOH Q . ? 0.9533 0.3491 0.7543 0.1551 0.1660 0.0968 919 HOH A O -6524 O O . HOH Q . ? 0.3661 0.9881 0.8072 0.1159 0.0101 0.2344 920 HOH A O -6525 O O . HOH Q . ? 0.5658 0.6801 0.5704 -0.0847 -0.1282 0.1078 921 HOH A O -6526 O O . HOH Q . ? 0.6999 0.7616 0.7043 0.1235 -0.1105 0.0228 922 HOH A O -6527 O O . HOH Q . ? 0.6153 0.6586 0.6858 0.0008 -0.1447 0.0565 923 HOH A O -6528 O O . HOH Q . ? 0.8562 0.5566 0.6453 0.2489 0.1043 0.2470 924 HOH A O -6529 O O . HOH Q . ? 0.5277 0.6679 0.4661 0.0376 0.0407 -0.2229 925 HOH A O -6530 O O . HOH Q . ? 0.4780 0.5650 0.6439 0.1144 0.2330 -0.0252 926 HOH A O -6531 O O . HOH Q . ? 1.0105 0.9226 0.5636 -0.0352 0.0546 -0.2415 927 HOH A O -6532 O O . HOH Q . ? 0.8020 0.7619 0.5731 0.1129 -0.1436 0.0123 928 HOH A O -6533 O O . HOH Q . ? 0.5723 0.7424 0.7423 0.0647 -0.0432 0.0252 929 HOH A O -6534 O O . HOH Q . ? 0.6745 0.8399 0.4507 -0.1936 0.1936 -0.0089 930 HOH A O -6535 O O . HOH Q . ? 0.8542 0.6250 0.8444 0.1701 -0.1377 0.0855 931 HOH A O -6536 O O . HOH Q . ? 0.7686 0.5432 0.7786 -0.2337 -0.1602 0.1113 932 HOH A O -6537 O O . HOH Q . ? 0.4545 1.0022 0.7148 -0.0357 0.1193 0.3417 933 HOH A O +1 N N . MET A 1 ? 0.3477 0.6856 0.5468 0.0022 0.1774 0.1284 -9 MET A N +2 C CA . MET A 1 ? 0.7982 1.1280 0.9860 0.0056 0.1642 0.1267 -9 MET A CA +3 C C . MET A 1 ? 0.7459 1.0886 0.9446 0.0018 0.1496 0.1103 -9 MET A C +4 O O . MET A 1 ? 0.8022 1.1627 1.0054 0.0049 0.1458 0.1023 -9 MET A O +5 C CB . MET A 1 ? 0.3601 0.6952 0.5178 0.0220 0.1586 0.1341 -9 MET A CB +6 C CG . MET A 1 ? 0.3019 0.6312 0.4474 0.0251 0.1469 0.1316 -9 MET A CG +7 S SD . MET A 1 ? 0.3044 0.6044 0.4592 0.0167 0.1515 0.1398 -9 MET A SD +8 C CE . MET A 1 ? 0.3098 0.5962 0.4570 0.0251 0.1709 0.1620 -9 MET A CE +20 N N . TRP A 2 ? 0.4771 0.8096 0.6786 -0.0028 0.1419 0.1070 -8 TRP A N +21 C CA . TRP A 2 ? 0.2954 0.6387 0.5080 -0.0055 0.1288 0.0940 -8 TRP A CA +22 C C . TRP A 2 ? 0.5896 0.9241 0.7841 0.0026 0.1178 0.0946 -8 TRP A C +23 O O . TRP A 2 ? 0.3324 0.6560 0.5086 0.0078 0.1200 0.1029 -8 TRP A O +24 C CB . TRP A 2 ? 0.3375 0.6803 0.5747 -0.0220 0.1314 0.0861 -8 TRP A CB +25 C CG . TRP A 2 ? 0.4386 0.7541 0.6728 -0.0284 0.1377 0.0933 -8 TRP A CG +26 C CD1 . TRP A 2 ? 0.3497 0.6548 0.5781 -0.0280 0.1281 0.0926 -8 TRP A CD1 +27 C CD2 . TRP A 2 ? 0.3019 0.5949 0.5375 -0.0339 0.1563 0.1030 -8 TRP A CD2 +28 N NE1 . TRP A 2 ? 0.3754 0.6531 0.6020 -0.0329 0.1392 0.1009 -8 TRP A NE1 +29 C CE2 . TRP A 2 ? 0.4143 0.6827 0.6443 -0.0354 0.1570 0.1081 -8 TRP A CE2 +30 C CE3 . TRP A 2 ? 0.3537 0.6436 0.5938 -0.0361 0.1733 0.1091 -8 TRP A CE3 +31 C CZ2 . TRP A 2 ? 0.4097 0.6486 0.6381 -0.0372 0.1747 0.1195 -8 TRP A CZ2 +32 C CZ3 . TRP A 2 ? 0.8795 1.1403 1.1179 -0.0382 0.1909 0.1211 -8 TRP A CZ3 +33 C CH2 . TRP A 2 ? 0.6803 0.9150 0.9125 -0.0377 0.1916 0.1266 -8 TRP A CH2 +44 N N . SER A 3 ? 0.1977 0.5392 0.3972 0.0048 0.1067 0.0856 -7 SER A N +45 C CA A SER A 3 ? 0.1879 0.5149 0.3704 0.0117 0.0967 0.0820 -7 SER A CA +46 C CA B SER A 3 ? 0.1879 0.5149 0.3705 0.0117 0.0967 0.0820 -7 SER A CA +47 C C . SER A 3 ? 0.1851 0.4924 0.3649 0.0043 0.0916 0.0836 -7 SER A C +48 O O . SER A 3 ? 0.2937 0.5996 0.4886 -0.0067 0.0962 0.0853 -7 SER A O +49 C CB A SER A 3 ? 0.3135 0.6480 0.5009 0.0195 0.0897 0.0742 -7 SER A CB +50 C CB B SER A 3 ? 0.2862 0.6213 0.4741 0.0194 0.0898 0.0742 -7 SER A CB +51 O OG A SER A 3 ? 0.6409 0.9556 0.8121 0.0260 0.0846 0.0701 -7 SER A OG +52 O OG B SER A 3 ? 0.6106 0.9607 0.8170 0.0136 0.0847 0.0712 -7 SER A OG +61 N N . HIS A 4 ? 0.1822 0.4742 0.3444 0.0093 0.0841 0.0811 -6 HIS A N +62 C CA . HIS A 4 ? 0.1818 0.4552 0.3391 0.0043 0.0789 0.0826 -6 HIS A CA +63 C C . HIS A 4 ? 0.1716 0.4342 0.3199 0.0087 0.0679 0.0743 -6 HIS A C +64 O O . HIS A 4 ? 0.2215 0.4726 0.3535 0.0116 0.0652 0.0726 -6 HIS A O +65 C CB . HIS A 4 ? 0.2585 0.5255 0.4003 0.0073 0.0853 0.0930 -6 HIS A CB +66 C CG . HIS A 4 ? 0.2979 0.5461 0.4374 0.0031 0.0841 0.0982 -6 HIS A CG +67 N ND1 . HIS A 4 ? 0.2838 0.5219 0.4413 -0.0073 0.0913 0.1015 -6 HIS A ND1 +68 C CD2 . HIS A 4 ? 0.3935 0.6329 0.5161 0.0078 0.0791 0.1001 -6 HIS A CD2 +69 C CE1 . HIS A 4 ? 0.2682 0.4879 0.4193 -0.0077 0.0914 0.1065 -6 HIS A CE1 +70 N NE2 . HIS A 4 ? 0.2699 0.4912 0.3994 0.0021 0.0825 0.1065 -6 HIS A NE2 +78 N N . PRO A 5 ? 0.1776 0.4463 0.3368 0.0099 0.0624 0.0693 -5 PRO A N +79 C CA . PRO A 5 ? 0.1805 0.4366 0.3313 0.0167 0.0559 0.0649 -5 PRO A CA +80 C C . PRO A 5 ? 0.1800 0.4207 0.3261 0.0109 0.0483 0.0643 -5 PRO A C +81 O O . PRO A 5 ? 0.2579 0.4995 0.4118 0.0013 0.0475 0.0660 -5 PRO A O +82 C CB . PRO A 5 ? 0.1827 0.4586 0.3471 0.0240 0.0545 0.0645 -5 PRO A CB +83 C CG . PRO A 5 ? 0.1915 0.4910 0.3731 0.0150 0.0555 0.0644 -5 PRO A CG +84 C CD . PRO A 5 ? 0.1847 0.4771 0.3643 0.0067 0.0637 0.0680 -5 PRO A CD +92 N N . GLN A 6 ? 0.1819 0.4058 0.3159 0.0159 0.0453 0.0609 -4 GLN A N +93 C CA . GLN A 6 ? 0.1791 0.3882 0.3074 0.0121 0.0381 0.0600 -4 GLN A CA +94 C C . GLN A 6 ? 0.1892 0.4060 0.3262 0.0152 0.0319 0.0598 -4 GLN A C +95 O O . GLN A 6 ? 0.2221 0.4536 0.3656 0.0248 0.0341 0.0613 -4 GLN A O +96 C CB . GLN A 6 ? 0.2070 0.3988 0.3211 0.0158 0.0396 0.0544 -4 GLN A CB +97 C CG . GLN A 6 ? 0.3761 0.5715 0.4793 0.0132 0.0438 0.0515 -4 GLN A CG +102 N N . PHE A 7 ? 0.1918 0.4019 0.3279 0.0090 0.0252 0.0584 -3 PHE A N +103 C CA . PHE A 7 ? 0.1797 0.4036 0.3222 0.0120 0.0184 0.0567 -3 PHE A CA +104 C C . PHE A 7 ? 0.2275 0.4371 0.3590 0.0246 0.0185 0.0597 -3 PHE A C +105 O O . PHE A 7 ? 0.2570 0.4408 0.3770 0.0247 0.0220 0.0586 -3 PHE A O +106 C CB . PHE A 7 ? 0.1625 0.3822 0.3084 -0.0009 0.0133 0.0519 -3 PHE A CB +107 C CG . PHE A 7 ? 0.1519 0.3845 0.3144 -0.0144 0.0183 0.0476 -3 PHE A CG +108 C CD1 . PHE A 7 ? 0.1354 0.4024 0.3161 -0.0180 0.0185 0.0405 -3 PHE A CD1 +109 C CD2 . PHE A 7 ? 0.4851 0.6962 0.6460 -0.0230 0.0257 0.0510 -3 PHE A CD2 +110 C CE1 . PHE A 7 ? 0.1406 0.4190 0.3404 -0.0331 0.0264 0.0330 -3 PHE A CE1 +111 C CE2 . PHE A 7 ? 0.3829 0.6001 0.5618 -0.0354 0.0361 0.0482 -3 PHE A CE2 +112 C CZ . PHE A 7 ? 0.3153 0.5643 0.5148 -0.0424 0.0370 0.0375 -3 PHE A CZ +122 N N . GLU A 8 ? 0.2019 0.4321 0.3381 0.0359 0.0162 0.0633 -2 GLU A N +123 C CA . GLU A 8 ? 0.2597 0.4754 0.3869 0.0504 0.0199 0.0698 -2 GLU A CA +124 C C . GLU A 8 ? 0.2294 0.4211 0.3468 0.0429 0.0150 0.0663 -2 GLU A C +125 O O . GLU A 8 ? 0.2114 0.4103 0.3307 0.0317 0.0055 0.0609 -2 GLU A O +126 C CB . GLU A 8 ? 0.2457 0.4989 0.3794 0.0669 0.0179 0.0774 -2 GLU A CB +127 C CG . GLU A 8 ? 0.7632 1.0036 0.8896 0.0896 0.0290 0.0910 -2 GLU A CG +128 C CD . GLU A 8 ? 1.2493 1.4797 1.3669 0.0909 0.0245 0.0927 -2 GLU A CD +129 O OE1 . GLU A 8 ? 0.5062 0.7621 0.6262 0.0818 0.0105 0.0855 -2 GLU A OE1 +130 O OE2 . GLU A 8 ? 0.3644 0.5610 0.4744 0.1003 0.0371 0.0998 -2 GLU A OE2 +137 N N . LYS A 9 ? 0.2707 0.4339 0.3793 0.0499 0.0239 0.0687 -1 LYS A N +138 C CA . LYS A 9 ? 0.2791 0.4181 0.3785 0.0421 0.0213 0.0639 -1 LYS A CA +139 C C . LYS A 9 ? 0.2181 0.3661 0.3155 0.0452 0.0127 0.0673 -1 LYS A C +140 O O . LYS A 9 ? 0.2485 0.3910 0.3425 0.0337 0.0042 0.0614 -1 LYS A O +141 C CB . LYS A 9 ? 0.3010 0.4102 0.3959 0.0466 0.0369 0.0618 -1 LYS A CB +142 C CG . LYS A 9 ? 0.4487 0.5528 0.5450 0.0401 0.0449 0.0528 -1 LYS A CG +147 N N . ALA A 10 ? 0.2638 0.4287 0.3627 0.0628 0.0160 0.0776 0 ALA A N +148 C CA . ALA A 10 ? 0.3249 0.5040 0.4203 0.0672 0.0081 0.0802 0 ALA A CA +149 C C . ALA A 10 ? 0.2142 0.4241 0.3170 0.0529 -0.0068 0.0691 0 ALA A C +150 O O . ALA A 10 ? 0.2355 0.4424 0.3353 0.0440 -0.0142 0.0626 0 ALA A O +151 C CB . ALA A 10 ? 0.4092 0.6116 0.5042 0.0933 0.0155 0.0964 0 ALA A CB +157 N N . SER A 11 ? 0.2599 0.4978 0.3741 0.0494 -0.0087 0.0651 1 SER A N +158 C CA . SER A 11 ? 0.2114 0.4782 0.3374 0.0334 -0.0180 0.0510 1 SER A CA +159 C C . SER A 11 ? 0.1831 0.4165 0.3090 0.0132 -0.0179 0.0429 1 SER A C +160 O O . SER A 11 ? 0.1926 0.4282 0.3222 0.0015 -0.0224 0.0331 1 SER A O +161 C CB . SER A 11 ? 0.2681 0.5740 0.4095 0.0324 -0.0175 0.0467 1 SER A CB +162 O OG . SER A 11 ? 0.2204 0.5516 0.3764 0.0135 -0.0227 0.0288 1 SER A OG +168 N N . THR A 12 ? 0.2020 0.4057 0.3226 0.0114 -0.0115 0.0476 2 THR A N +169 C CA . THR A 12 ? 0.1868 0.3622 0.3034 -0.0012 -0.0100 0.0450 2 THR A CA +170 C C . THR A 12 ? 0.2211 0.3775 0.3274 -0.0018 -0.0140 0.0443 2 THR A C +171 O O . THR A 12 ? 0.2194 0.3682 0.3279 -0.0121 -0.0155 0.0395 2 THR A O +172 C CB . THR A 12 ? 0.2078 0.3649 0.3170 0.0013 -0.0032 0.0500 2 THR A CB +173 O OG1 . THR A 12 ? 0.2599 0.4332 0.3789 0.0003 0.0011 0.0506 2 THR A OG1 +174 C CG2 . THR A 12 ? 0.2680 0.4052 0.3702 -0.0063 -0.0020 0.0501 2 THR A CG2 +182 N N . GLY A 13 ? 0.2015 0.3497 0.2981 0.0096 -0.0135 0.0492 3 GLY A N +183 C CA . GLY A 13 ? 0.2247 0.3577 0.3125 0.0094 -0.0168 0.0484 3 GLY A CA +184 C C . GLY A 13 ? 0.2074 0.3604 0.3002 0.0059 -0.0243 0.0428 3 GLY A C +185 O O . GLY A 13 ? 0.2359 0.3770 0.3262 -0.0018 -0.0274 0.0380 3 GLY A O +189 N N . ARG A 14 ? 0.2052 0.3941 0.3062 0.0118 -0.0269 0.0416 4 ARG A N +190 C CA . ARG A 14 ? 0.2444 0.4631 0.3519 0.0070 -0.0339 0.0312 4 ARG A CA +191 C C . ARG A 14 ? 0.2222 0.4375 0.3431 -0.0142 -0.0327 0.0167 4 ARG A C +192 O O . ARG A 14 ? 0.3016 0.5192 0.4263 -0.0237 -0.0348 0.0056 4 ARG A O +193 C CB . ARG A 14 ? 0.2992 0.5709 0.4136 0.0191 -0.0369 0.0313 4 ARG A CB +194 C CG . ARG A 14 ? 0.2828 0.5600 0.3839 0.0448 -0.0343 0.0492 4 ARG A CG +195 C CD . ARG A 14 ? 0.2481 0.5698 0.3456 0.0581 -0.0345 0.0491 4 ARG A CD +196 N NE . ARG A 14 ? 0.2716 0.6140 0.3786 0.0573 -0.0325 0.0466 4 ARG A NE +197 C CZ . ARG A 14 ? 0.5846 0.9223 0.6885 0.0740 -0.0239 0.0625 4 ARG A CZ +198 N NH1 . ARG A 14 ? 0.3355 0.6453 0.4281 0.0925 -0.0136 0.0816 4 ARG A NH1 +199 N NH2 . ARG A 14 ? 0.3057 0.6647 0.4187 0.0718 -0.0230 0.0584 4 ARG A NH2 +213 N N . GLU A 15 ? 0.2119 0.4214 0.3413 -0.0209 -0.0266 0.0168 5 GLU A N +214 C CA . GLU A 15 ? 0.2693 0.4680 0.4128 -0.0392 -0.0192 0.0068 5 GLU A CA +215 C C . GLU A 15 ? 0.2089 0.3659 0.3424 -0.0419 -0.0152 0.0130 5 GLU A C +216 O O . GLU A 15 ? 0.2570 0.4037 0.3997 -0.0536 -0.0091 0.0045 5 GLU A O +217 C CB . GLU A 15 ? 0.2167 0.4194 0.3713 -0.0436 -0.0112 0.0085 5 GLU A CB +218 C CG . GLU A 15 ? 0.3191 0.5740 0.4921 -0.0472 -0.0134 -0.0052 5 GLU A CG +219 C CD . GLU A 15 ? 0.9203 1.1842 1.1094 -0.0552 -0.0040 -0.0076 5 GLU A CD +220 O OE1 . GLU A 15 ? 0.6484 0.8827 0.8288 -0.0505 0.0016 0.0068 5 GLU A OE1 +221 O OE2 . GLU A 15 ? 0.2235 0.5287 0.4345 -0.0664 -0.0017 -0.0252 5 GLU A OE2 +228 N N . ILE A 16 ? 0.2102 0.3459 0.3266 -0.0311 -0.0169 0.0260 6 ILE A N +229 C CA . ILE A 16 ? 0.2103 0.3172 0.3161 -0.0311 -0.0150 0.0313 6 ILE A CA +230 C C . ILE A 16 ? 0.2296 0.3347 0.3326 -0.0328 -0.0204 0.0247 6 ILE A C +231 O O . ILE A 16 ? 0.2579 0.3472 0.3635 -0.0390 -0.0158 0.0225 6 ILE A O +232 C CB . ILE A 16 ? 0.2272 0.3229 0.3176 -0.0212 -0.0158 0.0407 6 ILE A CB +233 C CG1 . ILE A 16 ? 0.2526 0.3508 0.3448 -0.0201 -0.0092 0.0464 6 ILE A CG1 +234 C CG2 . ILE A 16 ? 0.2368 0.3144 0.3160 -0.0197 -0.0160 0.0439 6 ILE A CG2 +235 C CD1 . ILE A 16 ? 0.2846 0.3735 0.3814 -0.0243 0.0004 0.0523 6 ILE A CD1 +247 N N . LEU A 17 ? 0.2231 0.3452 0.3211 -0.0255 -0.0283 0.0229 7 LEU A N +248 C CA . LEU A 17 ? 0.2369 0.3630 0.3316 -0.0258 -0.0335 0.0168 7 LEU A CA +249 C C . LEU A 17 ? 0.2261 0.3667 0.3370 -0.0399 -0.0312 0.0005 7 LEU A C +250 O O . LEU A 17 ? 0.2777 0.4054 0.3884 -0.0455 -0.0299 -0.0053 7 LEU A O +251 C CB . LEU A 17 ? 0.2437 0.3914 0.3309 -0.0121 -0.0393 0.0210 7 LEU A CB +252 C CG . LEU A 17 ? 0.2339 0.3592 0.3077 -0.0004 -0.0362 0.0340 7 LEU A CG +253 C CD1 . LEU A 17 ? 0.2784 0.4223 0.3486 0.0165 -0.0347 0.0429 7 LEU A CD1 +254 C CD2 . LEU A 17 ? 0.3015 0.4020 0.3651 -0.0015 -0.0366 0.0347 7 LEU A CD2 +266 N N . GLU A 18 ? 0.2301 0.3980 0.3573 -0.0471 -0.0286 -0.0093 8 GLU A N +267 C CA . GLU A 18 ? 0.2752 0.4599 0.4228 -0.0645 -0.0227 -0.0308 8 GLU A CA +268 C C . GLU A 18 ? 0.2317 0.3752 0.3874 -0.0759 -0.0075 -0.0307 8 GLU A C +269 O O . GLU A 18 ? 0.2902 0.4278 0.4565 -0.0876 -0.0003 -0.0452 8 GLU A O +270 C CB . GLU A 18 ? 0.2724 0.4983 0.4378 -0.0708 -0.0214 -0.0427 8 GLU A CB +271 C CG . GLU A 18 ? 0.4286 0.6649 0.6211 -0.0941 -0.0085 -0.0680 8 GLU A CG +272 C CD . GLU A 18 ? 0.9174 1.1965 1.1131 -0.0939 -0.0115 -0.0830 8 GLU A CD +273 O OE1 . GLU A 18 ? 0.7669 1.0617 0.9668 -0.0901 -0.0118 -0.0775 8 GLU A OE1 +274 O OE2 . GLU A 18 ? 1.1076 1.4075 1.3011 -0.0971 -0.0128 -0.1009 8 GLU A OE2 +281 N N . LYS A 19 ? 0.2774 0.3942 0.4283 -0.0709 -0.0006 -0.0137 9 LYS A N +282 C CA . LYS A 19 ? 0.2712 0.3510 0.4272 -0.0753 0.0163 -0.0069 9 LYS A CA +283 C C . LYS A 19 ? 0.2276 0.2840 0.3693 -0.0683 0.0141 0.0003 9 LYS A C +284 O O . LYS A 19 ? 0.2696 0.3042 0.4203 -0.0745 0.0278 -0.0030 9 LYS A O +285 C CB . LYS A 19 ? 0.2674 0.3346 0.4190 -0.0678 0.0233 0.0115 9 LYS A CB +286 C CG . LYS A 19 ? 0.3003 0.3853 0.4712 -0.0777 0.0314 0.0035 9 LYS A CG +287 C CD . LYS A 19 ? 0.3615 0.4317 0.5300 -0.0711 0.0424 0.0216 9 LYS A CD +288 C CE . LYS A 19 ? 0.4932 0.5799 0.6838 -0.0829 0.0529 0.0124 9 LYS A CE +297 N N . LEU A 20 ? 0.2292 0.2903 0.3505 -0.0561 -0.0012 0.0082 10 LEU A N +298 C CA . LEU A 20 ? 0.2431 0.2868 0.3517 -0.0501 -0.0040 0.0132 10 LEU A CA +299 C C . LEU A 20 ? 0.2423 0.2929 0.3591 -0.0592 -0.0049 -0.0041 10 LEU A C +300 O O . LEU A 20 ? 0.3092 0.3391 0.4270 -0.0609 0.0027 -0.0046 10 LEU A O +301 C CB . LEU A 20 ? 0.2220 0.2704 0.3110 -0.0379 -0.0169 0.0222 10 LEU A CB +302 C CG . LEU A 20 ? 0.2370 0.2805 0.3175 -0.0300 -0.0148 0.0354 10 LEU A CG +303 C CD1 . LEU A 20 ? 0.2351 0.2844 0.3020 -0.0224 -0.0239 0.0371 10 LEU A CD1 +304 C CD2 . LEU A 20 ? 0.2897 0.3174 0.3665 -0.0255 -0.0058 0.0462 10 LEU A CD2 +316 N N . GLU A 21 ? 0.2693 0.3537 0.3926 -0.0642 -0.0129 -0.0189 11 GLU A N +317 C CA . GLU A 21 ? 0.3151 0.4183 0.4457 -0.0725 -0.0150 -0.0386 11 GLU A CA +318 C C . GLU A 21 ? 0.3455 0.4389 0.5003 -0.0911 0.0032 -0.0569 11 GLU A C +319 O O . GLU A 21 ? 0.3669 0.4555 0.5272 -0.0984 0.0080 -0.0705 11 GLU A O +320 C CB . GLU A 21 ? 0.3968 0.5496 0.5275 -0.0695 -0.0274 -0.0480 11 GLU A CB +321 C CG . GLU A 21 ? 0.4959 0.6735 0.6198 -0.0664 -0.0363 -0.0578 11 GLU A CG +322 C CD . GLU A 21 ? 1.3168 1.5522 1.4453 -0.0648 -0.0432 -0.0717 11 GLU A CD +323 O OE1 . GLU A 21 ? 0.8447 1.0957 0.9743 -0.0703 -0.0404 -0.0897 11 GLU A OE1 +324 O OE2 . GLU A 21 ? 1.4379 1.6932 1.5620 -0.0535 -0.0480 -0.0609 11 GLU A OE2 +331 N N . ARG A 22 ? 0.3340 0.4214 0.5047 -0.0990 0.0162 -0.0576 12 ARG A N +332 C CA . ARG A 22 ? 0.3697 0.4374 0.5666 -0.1167 0.0409 -0.0720 12 ARG A CA +333 C C . ARG A 22 ? 0.3328 0.3479 0.5255 -0.1088 0.0587 -0.0502 12 ARG A C +334 O O . ARG A 22 ? 0.3792 0.3679 0.5854 -0.1148 0.0824 -0.0542 12 ARG A O +335 C CB . ARG A 22 ? 0.3330 0.4160 0.5430 -0.1240 0.0482 -0.0788 12 ARG A CB +336 C CG . ARG A 22 ? 0.7164 0.8495 0.9287 -0.1294 0.0373 -0.1032 12 ARG A CG +337 C CD . ARG A 22 ? 0.5416 0.6885 0.7677 -0.1370 0.0463 -0.1114 12 ARG A CD +338 N NE . ARG A 22 ? 0.4849 0.6219 0.7102 -0.1304 0.0454 -0.0886 12 ARG A NE +339 C CZ . ARG A 22 ? 1.0182 1.1657 1.2535 -0.1342 0.0514 -0.0896 12 ARG A CZ +340 N NH1 . ARG A 22 ? 1.1366 1.3046 1.3843 -0.1455 0.0588 -0.1134 12 ARG A NH1 +341 N NH2 . ARG A 22 ? 0.6644 0.8040 0.8979 -0.1270 0.0512 -0.0683 12 ARG A NH2 +355 N N . ARG A 23 ? 0.3078 0.3104 0.4749 -0.0894 0.0470 -0.0256 13 ARG A N +356 C CA . ARG A 23 ? 0.3405 0.3059 0.5004 -0.0773 0.0609 -0.0036 13 ARG A CA +357 C C . ARG A 23 ? 0.3199 0.2653 0.4895 -0.0744 0.0824 0.0123 13 ARG A C +358 O O . ARG A 23 ? 0.4126 0.3257 0.5899 -0.0699 0.1069 0.0242 13 ARG A O +359 C CB . ARG A 23 ? 0.3392 0.2845 0.5069 -0.0823 0.0727 -0.0134 13 ARG A CB +360 C CG . ARG A 23 ? 0.3572 0.3266 0.5122 -0.0827 0.0499 -0.0267 13 ARG A CG +361 C CD . ARG A 23 ? 0.4204 0.3706 0.5769 -0.0834 0.0581 -0.0324 13 ARG A CD +362 N NE . ARG A 23 ? 0.3801 0.3036 0.5221 -0.0648 0.0635 -0.0056 13 ARG A NE +363 C CZ . ARG A 23 ? 0.3394 0.2728 0.4577 -0.0499 0.0448 0.0088 13 ARG A CZ +364 N NH1 . ARG A 23 ? 0.2789 0.2397 0.3853 -0.0504 0.0223 0.0022 13 ARG A NH1 +365 N NH2 . ARG A 23 ? 0.3166 0.2335 0.4252 -0.0337 0.0522 0.0303 13 ARG A NH2 +379 N N . GLU A 24 ? 0.3320 0.2971 0.5011 -0.0750 0.0752 0.0143 14 GLU A N +380 C CA . GLU A 24 ? 0.3407 0.2926 0.5160 -0.0704 0.0934 0.0312 14 GLU A CA +381 C C . GLU A 24 ? 0.4346 0.3926 0.5832 -0.0484 0.0813 0.0570 14 GLU A C +382 O O . GLU A 24 ? 0.4178 0.3986 0.5568 -0.0453 0.0661 0.0582 14 GLU A O +383 C CB . GLU A 24 ? 0.4169 0.3914 0.6093 -0.0854 0.0930 0.0150 14 GLU A CB +384 C CG . GLU A 24 ? 0.6318 0.6135 0.8467 -0.1063 0.1013 -0.0166 14 GLU A CG +385 C CD . GLU A 24 ? 0.8765 0.8879 1.1044 -0.1180 0.0993 -0.0331 14 GLU A CD +386 O OE1 . GLU A 24 ? 0.6648 0.7012 0.9020 -0.1308 0.0951 -0.0610 14 GLU A OE1 +387 O OE2 . GLU A 24 ? 0.7056 0.7183 0.9331 -0.1129 0.1020 -0.0178 14 GLU A OE2 +394 N N . PHE A 25 ? 0.3527 0.2933 0.4904 -0.0327 0.0901 0.0763 15 PHE A N +395 C CA . PHE A 25 ? 0.3742 0.3314 0.4863 -0.0132 0.0758 0.0940 15 PHE A CA +396 C C . PHE A 25 ? 0.5332 0.4945 0.6399 0.0023 0.0890 0.1180 15 PHE A C +397 O O . PHE A 25 ? 0.4498 0.4133 0.5443 0.0222 0.0968 0.1397 15 PHE A O +398 C CB . PHE A 25 ? 0.4004 0.3487 0.5028 -0.0030 0.0757 0.1004 15 PHE A CB +399 C CG . PHE A 25 ? 0.3357 0.2839 0.4398 -0.0154 0.0617 0.0789 15 PHE A CG +400 C CD1 . PHE A 25 ? 0.2985 0.2688 0.3958 -0.0227 0.0390 0.0640 15 PHE A CD1 +401 C CD2 . PHE A 25 ? 0.3270 0.2528 0.4396 -0.0177 0.0741 0.0753 15 PHE A CD2 +402 C CE1 . PHE A 25 ? 0.2871 0.2606 0.3842 -0.0306 0.0276 0.0475 15 PHE A CE1 +403 C CE2 . PHE A 25 ? 0.3508 0.2809 0.4634 -0.0278 0.0611 0.0558 15 PHE A CE2 +404 C CZ . PHE A 25 ? 0.3179 0.2731 0.4221 -0.0335 0.0377 0.0430 15 PHE A CZ +414 N N . THR A 26 ? 0.3570 0.3255 0.4720 -0.0052 0.0910 0.1145 16 THR A N +415 C CA . THR A 26 ? 0.3816 0.3574 0.4906 0.0101 0.1035 0.1373 16 THR A CA +416 C C . THR A 26 ? 0.3952 0.4066 0.4795 0.0238 0.0829 0.1426 16 THR A C +417 O O . THR A 26 ? 0.3274 0.3539 0.4036 0.0171 0.0606 0.1258 16 THR A O +418 C CB . THR A 26 ? 0.4030 0.3787 0.5286 -0.0027 0.1115 0.1305 16 THR A CB +419 O OG1 . THR A 26 ? 0.3569 0.3578 0.4773 -0.0118 0.0864 0.1125 16 THR A OG1 +420 C CG2 . THR A 26 ? 0.3782 0.3261 0.5316 -0.0216 0.1306 0.1145 16 THR A CG2 +428 N N . ARG A 27 ? 0.3665 0.3934 0.4400 0.0436 0.0933 0.1656 17 ARG A N +429 C CA A ARG A 27 ? 0.3096 0.3783 0.3622 0.0551 0.0768 0.1667 17 ARG A CA +430 C CA B ARG A 27 ? 0.3331 0.4017 0.3856 0.0550 0.0766 0.1665 17 ARG A CA +431 C C . ARG A 27 ? 0.3066 0.3889 0.3600 0.0406 0.0602 0.1463 17 ARG A C +432 O O . ARG A 27 ? 0.2885 0.3919 0.3314 0.0383 0.0423 0.1319 17 ARG A O +433 C CB A ARG A 27 ? 0.3838 0.4737 0.4293 0.0777 0.0903 0.1871 17 ARG A CB +434 C CB B ARG A 27 ? 0.3111 0.4018 0.3561 0.0779 0.0897 0.1869 17 ARG A CB +435 C CG A ARG A 27 ? 0.3912 0.5326 0.4182 0.0887 0.0759 0.1849 17 ARG A CG +436 C CG B ARG A 27 ? 0.3730 0.5158 0.3994 0.0895 0.0755 0.1849 17 ARG A CG +437 C CD A ARG A 27 ? 0.3211 0.4909 0.3461 0.1124 0.0875 0.1999 17 ARG A CD +438 C CD B ARG A 27 ? 0.3138 0.4812 0.3396 0.1128 0.0888 0.2008 17 ARG A CD +439 N NE A ARG A 27 ? 0.4380 0.6643 0.4485 0.1218 0.0732 0.1915 17 ARG A NE +440 N NE B ARG A 27 ? 0.4522 0.6006 0.4864 0.1272 0.1061 0.2147 17 ARG A NE +441 C CZ A ARG A 27 ? 0.2629 0.5109 0.2682 0.1290 0.0677 0.1872 17 ARG A CZ +442 C CZ B ARG A 27 ? 0.4074 0.5786 0.4357 0.1414 0.1045 0.2175 17 ARG A CZ +443 N NH1 A ARG A 27 ? 0.5610 0.7777 0.5716 0.1306 0.0748 0.1934 17 ARG A NH1 +444 N NH1 B ARG A 27 ? 0.2870 0.5019 0.3020 0.1413 0.0859 0.2046 17 ARG A NH1 +445 N NH2 A ARG A 27 ? 0.5456 0.8494 0.5421 0.1338 0.0565 0.1742 17 ARG A NH2 +446 N NH2 B ARG A 27 ? 0.5910 0.7424 0.6284 0.1550 0.1237 0.2313 17 ARG A NH2 +473 N N . GLU A 28 ? 0.2779 0.3478 0.3460 0.0306 0.0682 0.1441 18 GLU A N +474 C CA . GLU A 28 ? 0.2493 0.3326 0.3188 0.0198 0.0547 0.1274 18 GLU A CA +475 C C . GLU A 28 ? 0.2632 0.3405 0.3352 0.0069 0.0377 0.1062 18 GLU A C +476 O O . GLU A 28 ? 0.2417 0.3336 0.3077 0.0046 0.0251 0.0946 18 GLU A O +477 C CB . GLU A 28 ? 0.3431 0.4164 0.4304 0.0117 0.0683 0.1295 18 GLU A CB +478 C CG . GLU A 28 ? 0.4882 0.5628 0.5876 -0.0041 0.0585 0.1101 18 GLU A CG +479 C CD . GLU A 28 ? 1.1002 1.1714 1.2182 -0.0116 0.0735 0.1118 18 GLU A CD +480 O OE1 . GLU A 28 ? 0.5716 0.6545 0.6845 -0.0029 0.0810 0.1242 18 GLU A OE1 +481 O OE2 . GLU A 28 ? 0.4195 0.4798 0.5578 -0.0268 0.0790 0.0995 18 GLU A OE2 +488 N N . VAL A 29 ? 0.2490 0.3051 0.3308 -0.0009 0.0399 0.1012 19 VAL A N +489 C CA . VAL A 29 ? 0.2184 0.2729 0.3014 -0.0104 0.0250 0.0837 19 VAL A CA +490 C C . VAL A 29 ? 0.2232 0.2864 0.2892 -0.0032 0.0135 0.0820 19 VAL A C +491 O O . VAL A 29 ? 0.2194 0.2894 0.2813 -0.0063 0.0023 0.0707 19 VAL A O +492 C CB . VAL A 29 ? 0.2771 0.3125 0.3748 -0.0206 0.0314 0.0766 19 VAL A CB +493 C CG1 . VAL A 29 ? 0.2999 0.3379 0.3941 -0.0255 0.0163 0.0624 19 VAL A CG1 +494 C CG2 . VAL A 29 ? 0.3165 0.3515 0.4357 -0.0335 0.0411 0.0685 19 VAL A CG2 +504 N N . LEU A 30 ? 0.2198 0.2834 0.2772 0.0070 0.0184 0.0931 20 LEU A N +505 C CA . LEU A 30 ? 0.1935 0.2714 0.2370 0.0122 0.0082 0.0885 20 LEU A CA +506 C C . LEU A 30 ? 0.2184 0.3232 0.2534 0.0145 0.0028 0.0821 20 LEU A C +507 O O . LEU A 30 ? 0.2123 0.3232 0.2436 0.0097 -0.0055 0.0677 20 LEU A O +508 C CB . LEU A 30 ? 0.2293 0.3106 0.2659 0.0252 0.0152 0.1028 20 LEU A CB +509 C CG . LEU A 30 ? 0.2485 0.2989 0.2951 0.0219 0.0235 0.1063 20 LEU A CG +510 C CD1 . LEU A 30 ? 0.2860 0.3389 0.3263 0.0393 0.0351 0.1256 20 LEU A CD1 +511 C CD2 . LEU A 30 ? 0.2459 0.2860 0.2944 0.0107 0.0116 0.0895 20 LEU A CD2 +523 N N . LYS A 31 ? 0.2029 0.3237 0.2363 0.0213 0.0099 0.0914 21 LYS A N +524 C CA . LYS A 31 ? 0.2294 0.3792 0.2559 0.0224 0.0063 0.0821 21 LYS A CA +525 C C . LYS A 31 ? 0.2055 0.3429 0.2393 0.0104 0.0012 0.0662 21 LYS A C +526 O O . LYS A 31 ? 0.2176 0.3666 0.2483 0.0068 -0.0020 0.0509 21 LYS A O +527 C CB . LYS A 31 ? 0.2461 0.4151 0.2699 0.0324 0.0158 0.0963 21 LYS A CB +528 C CG . LYS A 31 ? 0.2354 0.4404 0.2523 0.0330 0.0127 0.0833 21 LYS A CG +529 C CD . LYS A 31 ? 0.2979 0.5305 0.3088 0.0461 0.0218 0.0988 21 LYS A CD +530 C CE . LYS A 31 ? 0.4109 0.6874 0.4143 0.0462 0.0186 0.0815 21 LYS A CE +531 N NZ . LYS A 31 ? 0.7502 1.0639 0.7447 0.0623 0.0270 0.0977 21 LYS A NZ +545 N N . GLU A 32 ? 0.2304 0.3481 0.2753 0.0051 0.0030 0.0693 22 GLU A N +546 C CA . GLU A 32 ? 0.2202 0.3319 0.2711 -0.0013 -0.0005 0.0583 22 GLU A CA +547 C C . GLU A 32 ? 0.2481 0.3479 0.2978 -0.0046 -0.0064 0.0488 22 GLU A C +548 O O . GLU A 32 ? 0.2357 0.3351 0.2853 -0.0057 -0.0056 0.0394 22 GLU A O +549 C CB . GLU A 32 ? 0.2662 0.3703 0.3301 -0.0052 0.0024 0.0627 22 GLU A CB +550 C CG . GLU A 32 ? 0.4715 0.5780 0.5415 -0.0069 0.0002 0.0553 22 GLU A CG +551 C CD . GLU A 32 ? 0.6384 0.7571 0.7051 -0.0036 0.0044 0.0522 22 GLU A CD +552 O OE1 . GLU A 32 ? 0.4922 0.6240 0.5526 -0.0006 0.0082 0.0553 22 GLU A OE1 +553 O OE2 . GLU A 32 ? 0.6400 0.7577 0.7106 -0.0023 0.0055 0.0469 22 GLU A OE2 +560 N N . ALA A 33 ? 0.2278 0.3165 0.2772 -0.0056 -0.0096 0.0516 23 ALA A N +561 C CA . ALA A 33 ? 0.2197 0.2988 0.2666 -0.0076 -0.0143 0.0439 23 ALA A CA +562 C C . ALA A 33 ? 0.2147 0.3029 0.2546 -0.0075 -0.0129 0.0343 23 ALA A C +563 O O . ALA A 33 ? 0.2242 0.3040 0.2655 -0.0098 -0.0106 0.0257 23 ALA A O +564 C CB . ALA A 33 ? 0.2184 0.2872 0.2653 -0.0086 -0.0172 0.0476 23 ALA A CB +570 N N . LEU A 34 ? 0.2015 0.3101 0.2350 -0.0044 -0.0120 0.0349 24 LEU A N +571 C CA . LEU A 34 ? 0.1993 0.3272 0.2285 -0.0068 -0.0103 0.0201 24 LEU A CA +572 C C . LEU A 34 ? 0.2393 0.3752 0.2726 -0.0109 -0.0035 0.0076 24 LEU A C +573 O O . LEU A 34 ? 0.3266 0.4676 0.3625 -0.0176 0.0022 -0.0107 24 LEU A O +574 C CB . LEU A 34 ? 0.1949 0.3551 0.2157 0.0005 -0.0116 0.0242 24 LEU A CB +575 C CG . LEU A 34 ? 0.1962 0.3497 0.2134 0.0051 -0.0154 0.0335 24 LEU A CG +576 C CD1 . LEU A 34 ? 0.1953 0.3836 0.2038 0.0185 -0.0139 0.0448 24 LEU A CD1 +577 C CD2 . LEU A 34 ? 0.2013 0.3515 0.2192 -0.0021 -0.0179 0.0185 24 LEU A CD2 +589 N N . SER A 35 ? 0.2138 0.3488 0.2498 -0.0080 -0.0016 0.0154 25 SER A N +590 C CA . SER A 35 ? 0.2461 0.3917 0.2855 -0.0106 0.0059 0.0039 25 SER A CA +591 C C . SER A 35 ? 0.2763 0.3947 0.3247 -0.0130 0.0129 0.0000 25 SER A C +592 O O . SER A 35 ? 0.2942 0.4141 0.3476 -0.0169 0.0238 -0.0147 25 SER A O +593 C CB . SER A 35 ? 0.2414 0.4014 0.2793 -0.0047 0.0059 0.0160 25 SER A CB +594 O OG . SER A 35 ? 0.2719 0.4618 0.3004 0.0018 0.0038 0.0220 25 SER A OG +600 N N . ILE A 36 ? 0.2456 0.3427 0.2969 -0.0096 0.0088 0.0125 26 ILE A N +601 C CA . ILE A 36 ? 0.2370 0.3151 0.2953 -0.0061 0.0160 0.0143 26 ILE A CA +602 C C . ILE A 36 ? 0.2569 0.3194 0.3175 -0.0092 0.0273 0.0025 26 ILE A C +603 O O . ILE A 36 ? 0.2992 0.3576 0.3563 -0.0125 0.0239 -0.0005 26 ILE A O +604 C CB . ILE A 36 ? 0.2452 0.3171 0.3050 -0.0010 0.0077 0.0282 26 ILE A CB +605 C CG1 . ILE A 36 ? 0.2461 0.3315 0.3093 -0.0007 0.0023 0.0359 26 ILE A CG1 +606 C CG2 . ILE A 36 ? 0.2907 0.3496 0.3549 0.0074 0.0153 0.0328 26 ILE A CG2 +607 C CD1 . ILE A 36 ? 0.3454 0.4330 0.4130 -0.0006 -0.0055 0.0429 26 ILE A CD1 +619 N N A ASN A 37 ? 0.2091 0.2593 0.2773 -0.0078 0.0438 -0.0039 27 ASN A N +620 N N B ASN A 37 ? 0.2826 0.3350 0.3505 -0.0086 0.0434 -0.0050 27 ASN A N +621 C CA A ASN A 37 ? 0.3311 0.3615 0.4057 -0.0125 0.0618 -0.0174 27 ASN A CA +622 C CA B ASN A 37 ? 0.1956 0.2263 0.2703 -0.0119 0.0619 -0.0166 27 ASN A CA +623 C C A ASN A 37 ? 0.2364 0.2372 0.3157 -0.0004 0.0750 -0.0031 27 ASN A C +624 C C B ASN A 37 ? 0.2412 0.2474 0.3210 0.0022 0.0736 -0.0001 27 ASN A C +625 O O A ASN A 37 ? 0.3743 0.3515 0.4626 -0.0012 0.0982 -0.0107 27 ASN A O +626 O O B ASN A 37 ? 0.2683 0.2615 0.3565 0.0067 0.0923 -0.0019 27 ASN A O +627 C CB A ASN A 37 ? 0.3290 0.3659 0.4117 -0.0222 0.0782 -0.0406 27 ASN A CB +628 C CB B ASN A 37 ? 0.3307 0.3696 0.4130 -0.0229 0.0775 -0.0416 27 ASN A CB +629 C CG A ASN A 37 ? 0.3772 0.4501 0.4549 -0.0340 0.0690 -0.0592 27 ASN A CG +630 C CG B ASN A 37 ? 0.4487 0.4705 0.5410 -0.0336 0.0979 -0.0623 27 ASN A CG +631 O OD1 A ASN A 37 ? 0.8025 0.8862 0.8737 -0.0365 0.0576 -0.0589 27 ASN A OD1 +632 O OD1 B ASN A 37 ? 0.3593 0.3598 0.4519 -0.0311 0.1013 -0.0551 27 ASN A OD1 +633 N ND2 A ASN A 37 ? 0.4262 0.5223 0.5066 -0.0392 0.0745 -0.0749 27 ASN A ND2 +634 N ND2 B ASN A 37 ? 0.3716 0.4056 0.4732 -0.0467 0.1130 -0.0904 27 ASN A ND2 +647 N N . ASP A 38 ? 0.3527 0.3575 0.4270 0.0113 0.0625 0.0171 28 ASP A N +648 C CA . ASP A 38 ? 0.2894 0.2812 0.3660 0.0287 0.0726 0.0354 28 ASP A CA +649 C C . ASP A 38 ? 0.2495 0.2304 0.3217 0.0314 0.0720 0.0409 28 ASP A C +650 O O . ASP A 38 ? 0.2966 0.2915 0.3615 0.0262 0.0526 0.0410 28 ASP A O +651 C CB . ASP A 38 ? 0.2857 0.3025 0.3605 0.0384 0.0577 0.0495 28 ASP A CB +652 C CG . ASP A 38 ? 0.2868 0.3054 0.3635 0.0604 0.0667 0.0694 28 ASP A CG +653 O OD1 . ASP A 38 ? 0.3165 0.3370 0.3881 0.0682 0.0634 0.0789 28 ASP A OD1 +654 O OD2 . ASP A 38 ? 0.3204 0.3438 0.4027 0.0715 0.0763 0.0766 28 ASP A OD2 +660 N N . ARG A 39 ? 0.3105 0.2643 0.3879 0.0392 0.0960 0.0453 29 ARG A N +661 C CA . ARG A 39 ? 0.3710 0.3114 0.4449 0.0432 0.1005 0.0518 29 ARG A CA +662 C C . ARG A 39 ? 0.2691 0.2335 0.3326 0.0559 0.0802 0.0696 29 ARG A C +663 O O . ARG A 39 ? 0.2697 0.2377 0.3270 0.0515 0.0694 0.0683 29 ARG A O +664 C CB . ARG A 39 ? 0.4007 0.3067 0.4837 0.0565 0.1357 0.0614 29 ARG A CB +665 C CG . ARG A 39 ? 1.0027 0.8800 1.0921 0.0457 0.1553 0.0494 29 ARG A CG +666 C CD . ARG A 39 ? 1.1645 1.0031 1.2717 0.0437 0.1964 0.0405 29 ARG A CD +667 N NE . ARG A 39 ? 0.6177 0.4471 0.7265 0.0658 0.2152 0.0643 29 ARG A NE +668 C CZ . ARG A 39 ? 0.7461 0.5660 0.8641 0.0617 0.2314 0.0569 29 ARG A CZ +669 N NH1 . ARG A 39 ? 0.7007 0.5179 0.8159 0.0802 0.2454 0.0814 29 ARG A NH1 +670 N NH2 . ARG A 39 ? 0.6641 0.4818 0.7932 0.0385 0.2340 0.0241 29 ARG A NH2 +684 N N . GLY A 40 ? 0.2902 0.2765 0.3531 0.0710 0.0751 0.0840 30 GLY A N +685 C CA . GLY A 40 ? 0.2706 0.2891 0.3262 0.0815 0.0572 0.0957 30 GLY A CA +686 C C . GLY A 40 ? 0.2385 0.2795 0.2916 0.0645 0.0313 0.0827 30 GLY A C +687 O O . GLY A 40 ? 0.2548 0.3100 0.3026 0.0635 0.0189 0.0827 30 GLY A O +691 N N . PHE A 41 ? 0.2163 0.2580 0.2735 0.0506 0.0255 0.0709 31 PHE A N +692 C CA . PHE A 41 ? 0.1980 0.2519 0.2538 0.0356 0.0076 0.0609 31 PHE A CA +693 C C . PHE A 41 ? 0.2296 0.2675 0.2800 0.0262 0.0054 0.0535 31 PHE A C +694 O O . PHE A 41 ? 0.2074 0.2537 0.2547 0.0215 -0.0066 0.0514 31 PHE A O +695 C CB . PHE A 41 ? 0.2119 0.2677 0.2718 0.0256 0.0061 0.0531 31 PHE A CB +696 C CG . PHE A 41 ? 0.2028 0.2643 0.2611 0.0128 -0.0060 0.0462 31 PHE A CG +697 C CD1 . PHE A 41 ? 0.2138 0.2938 0.2769 0.0099 -0.0156 0.0471 31 PHE A CD1 +698 C CD2 . PHE A 41 ? 0.2175 0.2688 0.2712 0.0044 -0.0058 0.0387 31 PHE A CD2 +699 C CE1 . PHE A 41 ? 0.2322 0.3108 0.2956 -0.0001 -0.0210 0.0430 31 PHE A CE1 +700 C CE2 . PHE A 41 ? 0.2167 0.2735 0.2685 -0.0025 -0.0139 0.0371 31 PHE A CE2 +701 C CZ . PHE A 41 ? 0.2363 0.3020 0.2931 -0.0043 -0.0199 0.0405 31 PHE A CZ +711 N N . ASN A 42 ? 0.2352 0.2516 0.2861 0.0219 0.0183 0.0467 32 ASN A N +712 C CA . ASN A 42 ? 0.2023 0.2097 0.2495 0.0122 0.0163 0.0375 32 ASN A CA +713 C C . ASN A 42 ? 0.2098 0.2137 0.2523 0.0193 0.0148 0.0456 32 ASN A C +714 O O . ASN A 42 ? 0.2144 0.2220 0.2525 0.0132 0.0042 0.0416 32 ASN A O +715 C CB . ASN A 42 ? 0.2197 0.2109 0.2721 0.0050 0.0336 0.0247 32 ASN A CB +716 C CG . ASN A 42 ? 0.2236 0.2266 0.2792 -0.0040 0.0334 0.0122 32 ASN A CG +717 O OD1 . ASN A 42 ? 0.2153 0.2358 0.2676 -0.0050 0.0200 0.0149 32 ASN A OD1 +718 N ND2 . ASN A 42 ? 0.2338 0.2275 0.2968 -0.0105 0.0509 -0.0023 32 ASN A ND2 +725 N N . GLU A 43 ? 0.2145 0.2129 0.2576 0.0342 0.0269 0.0583 33 GLU A N +726 C CA . GLU A 43 ? 0.2038 0.2043 0.2409 0.0442 0.0266 0.0683 33 GLU A CA +727 C C . GLU A 43 ? 0.2343 0.2649 0.2671 0.0440 0.0056 0.0685 33 GLU A C +728 O O . GLU A 43 ? 0.2198 0.2532 0.2476 0.0416 -0.0013 0.0663 33 GLU A O +729 C CB . GLU A 43 ? 0.2898 0.2821 0.3279 0.0649 0.0469 0.0861 33 GLU A CB +730 C CG . GLU A 43 ? 0.6938 0.6980 0.7241 0.0817 0.0478 0.1015 33 GLU A CG +731 C CD . GLU A 43 ? 0.9084 0.8955 0.9401 0.1047 0.0761 0.1227 33 GLU A CD +732 O OE1 . GLU A 43 ? 0.6436 0.5983 0.6845 0.1022 0.0984 0.1205 33 GLU A OE1 +733 O OE2 . GLU A 43 ? 1.1579 1.1677 1.1813 0.1206 0.0774 0.1356 33 GLU A OE2 +740 N N . ALA A 44 ? 0.2138 0.2674 0.2504 0.0448 -0.0030 0.0685 34 ALA A N +741 C CA . ALA A 44 ? 0.2159 0.2982 0.2533 0.0398 -0.0193 0.0625 34 ALA A CA +742 C C . ALA A 44 ? 0.1940 0.2647 0.2320 0.0224 -0.0275 0.0500 34 ALA A C +743 O O . ALA A 44 ? 0.2085 0.2891 0.2457 0.0179 -0.0354 0.0443 34 ALA A O +744 C CB . ALA A 44 ? 0.2168 0.3257 0.2620 0.0417 -0.0231 0.0624 34 ALA A CB +750 N N . LEU A 45 ? 0.1829 0.2355 0.2223 0.0139 -0.0243 0.0459 35 LEU A N +751 C CA . LEU A 45 ? 0.1841 0.2285 0.2226 0.0027 -0.0293 0.0387 35 LEU A CA +752 C C . LEU A 45 ? 0.1846 0.2184 0.2168 0.0024 -0.0293 0.0370 35 LEU A C +753 O O . LEU A 45 ? 0.1886 0.2233 0.2199 -0.0024 -0.0353 0.0334 35 LEU A O +754 C CB . LEU A 45 ? 0.1823 0.2198 0.2216 -0.0019 -0.0248 0.0360 35 LEU A CB +755 C CG . LEU A 45 ? 0.1882 0.2241 0.2249 -0.0081 -0.0278 0.0325 35 LEU A CG +756 C CD1 . LEU A 45 ? 0.2471 0.2877 0.2886 -0.0112 -0.0318 0.0348 35 LEU A CD1 +757 C CD2 . LEU A 45 ? 0.2277 0.2681 0.2632 -0.0101 -0.0229 0.0284 35 LEU A CD2 +769 N N . PHE A 46 ? 0.1815 0.2032 0.2110 0.0070 -0.0197 0.0392 36 PHE A N +770 C CA . PHE A 46 ? 0.1785 0.1905 0.2034 0.0064 -0.0176 0.0375 36 PHE A CA +771 C C . PHE A 46 ? 0.2008 0.2241 0.2217 0.0127 -0.0241 0.0420 36 PHE A C +772 O O . PHE A 46 ? 0.2108 0.2323 0.2285 0.0086 -0.0289 0.0378 36 PHE A O +773 C CB . PHE A 46 ? 0.1925 0.1871 0.2190 0.0095 -0.0007 0.0385 36 PHE A CB +774 C CG . PHE A 46 ? 0.1762 0.1644 0.2088 0.0009 0.0081 0.0280 36 PHE A CG +775 C CD1 . PHE A 46 ? 0.1860 0.1867 0.2184 -0.0086 -0.0008 0.0182 36 PHE A CD1 +776 C CD2 . PHE A 46 ? 0.2012 0.1742 0.2398 0.0037 0.0267 0.0280 36 PHE A CD2 +777 C CE1 . PHE A 46 ? 0.1831 0.1880 0.2203 -0.0155 0.0066 0.0068 36 PHE A CE1 +778 C CE2 . PHE A 46 ? 0.2256 0.1970 0.2716 -0.0061 0.0360 0.0137 36 PHE A CE2 +779 C CZ . PHE A 46 ? 0.1905 0.1820 0.2351 -0.0161 0.0242 0.0020 36 PHE A CZ +789 N N . LYS A 47 ? 0.1923 0.2324 0.2135 0.0232 -0.0240 0.0496 37 LYS A N +790 C CA . LYS A 47 ? 0.1980 0.2610 0.2153 0.0297 -0.0307 0.0510 37 LYS A CA +791 C C . LYS A 47 ? 0.2248 0.3016 0.2469 0.0175 -0.0426 0.0379 37 LYS A C +792 O O . LYS A 47 ? 0.2014 0.2871 0.2208 0.0159 -0.0472 0.0323 37 LYS A O +793 C CB . LYS A 47 ? 0.2427 0.3314 0.2593 0.0465 -0.0272 0.0625 37 LYS A CB +794 C CG . LYS A 47 ? 0.2905 0.3634 0.3022 0.0631 -0.0101 0.0792 37 LYS A CG +795 C CD . LYS A 47 ? 0.6136 0.7166 0.6243 0.0845 -0.0053 0.0945 37 LYS A CD +796 C CE . LYS A 47 ? 0.8720 0.9550 0.8789 0.1037 0.0178 0.1143 37 LYS A CE +797 N NZ . LYS A 47 ? 0.9056 1.0097 0.9128 0.1186 0.0269 0.1238 37 LYS A NZ +811 N N . LEU A 48 ? 0.1993 0.2759 0.2295 0.0085 -0.0448 0.0323 38 LEU A N +812 C CA . LEU A 48 ? 0.1982 0.2783 0.2360 -0.0039 -0.0493 0.0205 38 LEU A CA +813 C C . LEU A 48 ? 0.1930 0.2503 0.2272 -0.0091 -0.0485 0.0184 38 LEU A C +814 O O . LEU A 48 ? 0.1898 0.2498 0.2265 -0.0143 -0.0501 0.0100 38 LEU A O +815 C CB . LEU A 48 ? 0.2125 0.2923 0.2600 -0.0105 -0.0474 0.0187 38 LEU A CB +816 C CG . LEU A 48 ? 0.2060 0.2813 0.2645 -0.0232 -0.0452 0.0085 38 LEU A CG +817 C CD1 . LEU A 48 ? 0.2031 0.3022 0.2697 -0.0296 -0.0474 -0.0068 38 LEU A CD1 +818 C CD2 . LEU A 48 ? 0.2185 0.2936 0.2865 -0.0276 -0.0405 0.0099 38 LEU A CD2 +830 N N . ALA A 49 ? 0.1860 0.2247 0.2156 -0.0081 -0.0449 0.0242 39 ALA A N +831 C CA . ALA A 49 ? 0.1764 0.2016 0.2023 -0.0106 -0.0442 0.0231 39 ALA A CA +832 C C . ALA A 49 ? 0.1875 0.2129 0.2073 -0.0076 -0.0458 0.0216 39 ALA A C +833 O O . ALA A 49 ? 0.1825 0.2039 0.2023 -0.0105 -0.0470 0.0174 39 ALA A O +834 C CB . ALA A 49 ? 0.1841 0.2024 0.2069 -0.0100 -0.0405 0.0259 39 ALA A CB +840 N N . ASP A 50 ? 0.1791 0.2083 0.1944 -0.0004 -0.0433 0.0265 40 ASP A N +841 C CA . ASP A 50 ? 0.1854 0.2168 0.1943 0.0046 -0.0430 0.0275 40 ASP A CA +842 C C . ASP A 50 ? 0.1874 0.2390 0.1974 0.0037 -0.0496 0.0204 40 ASP A C +843 O O . ASP A 50 ? 0.1953 0.2456 0.2019 0.0025 -0.0510 0.0161 40 ASP A O +844 C CB . ASP A 50 ? 0.1899 0.2202 0.1948 0.0156 -0.0342 0.0379 40 ASP A CB +845 C CG . ASP A 50 ? 0.2093 0.2408 0.2071 0.0231 -0.0305 0.0426 40 ASP A CG +846 O OD1 . ASP A 50 ? 0.2268 0.2417 0.2233 0.0185 -0.0262 0.0399 40 ASP A OD1 +847 O OD2 . ASP A 50 ? 0.2260 0.2796 0.2192 0.0348 -0.0312 0.0491 40 ASP A OD2 +852 N N . GLU A 51 ? 0.1805 0.2532 0.1966 0.0027 -0.0529 0.0161 41 GLU A N +853 C CA . GLU A 51 ? 0.1882 0.2872 0.2090 -0.0017 -0.0577 0.0028 41 GLU A CA +854 C C . GLU A 51 ? 0.1841 0.2650 0.2121 -0.0145 -0.0560 -0.0088 41 GLU A C +855 O O . GLU A 51 ? 0.2058 0.2942 0.2344 -0.0178 -0.0567 -0.0193 41 GLU A O +856 C CB . GLU A 51 ? 0.2381 0.3662 0.2680 -0.0032 -0.0600 -0.0029 41 GLU A CB +857 C CG . GLU A 51 ? 0.3053 0.4699 0.3432 -0.0101 -0.0637 -0.0221 41 GLU A CG +858 C CD . GLU A 51 ? 0.7748 0.9747 0.8240 -0.0127 -0.0654 -0.0301 41 GLU A CD +859 O OE1 . GLU A 51 ? 0.7171 0.9057 0.7807 -0.0271 -0.0612 -0.0402 41 GLU A OE1 +860 O OE2 . GLU A 51 ? 0.4028 0.6343 0.4448 0.0014 -0.0670 -0.0233 41 GLU A OE2 +867 N N . ILE A 52 ? 0.1726 0.2311 0.2068 -0.0202 -0.0517 -0.0062 42 ILE A N +868 C CA . ILE A 52 ? 0.1773 0.2167 0.2191 -0.0281 -0.0454 -0.0122 42 ILE A CA +869 C C . ILE A 52 ? 0.1835 0.2087 0.2162 -0.0235 -0.0454 -0.0079 42 ILE A C +870 O O . ILE A 52 ? 0.1936 0.2117 0.2305 -0.0275 -0.0411 -0.0159 42 ILE A O +871 C CB . ILE A 52 ? 0.1796 0.2019 0.2275 -0.0299 -0.0389 -0.0045 42 ILE A CB +872 C CG1 . ILE A 52 ? 0.2316 0.2691 0.2915 -0.0368 -0.0374 -0.0122 42 ILE A CG1 +873 C CG2 . ILE A 52 ? 0.1982 0.1977 0.2513 -0.0314 -0.0286 -0.0027 42 ILE A CG2 +874 C CD1 . ILE A 52 ? 0.4567 0.4806 0.5225 -0.0378 -0.0302 -0.0037 42 ILE A CD1 +886 N N . ARG A 53 ? 0.1789 0.1994 0.2012 -0.0161 -0.0479 0.0030 43 ARG A N +887 C CA . ARG A 53 ? 0.1743 0.1866 0.1892 -0.0126 -0.0477 0.0054 43 ARG A CA +888 C C . ARG A 53 ? 0.1832 0.2068 0.1948 -0.0120 -0.0502 -0.0020 43 ARG A C +889 O O . ARG A 53 ? 0.1988 0.2155 0.2109 -0.0135 -0.0482 -0.0068 43 ARG A O +890 C CB . ARG A 53 ? 0.1845 0.1942 0.1928 -0.0082 -0.0471 0.0132 43 ARG A CB +891 C CG . ARG A 53 ? 0.1876 0.1923 0.1909 -0.0065 -0.0452 0.0139 43 ARG A CG +892 C CD . ARG A 53 ? 0.1887 0.1965 0.1862 -0.0031 -0.0449 0.0133 43 ARG A CD +893 N NE . ARG A 53 ? 0.1999 0.2109 0.1947 0.0019 -0.0413 0.0193 43 ARG A NE +894 C CZ . ARG A 53 ? 0.1901 0.2083 0.1791 0.0094 -0.0388 0.0238 43 ARG A CZ +895 N NH1 . ARG A 53 ? 0.2143 0.2391 0.1993 0.0102 -0.0419 0.0196 43 ARG A NH1 +896 N NH2 . ARG A 53 ? 0.2056 0.2255 0.1925 0.0179 -0.0318 0.0334 43 ARG A NH2 +910 N N . ARG A 54 ? 0.1769 0.2208 0.1850 -0.0076 -0.0534 -0.0018 44 ARG A N +911 C CA . ARG A 54 ? 0.1892 0.2536 0.1927 -0.0046 -0.0560 -0.0083 44 ARG A CA +912 C C . ARG A 54 ? 0.2081 0.2791 0.2215 -0.0151 -0.0553 -0.0267 44 ARG A C +913 O O . ARG A 54 ? 0.2344 0.3089 0.2453 -0.0158 -0.0549 -0.0344 44 ARG A O +914 C CB . ARG A 54 ? 0.2001 0.2950 0.1994 0.0046 -0.0586 -0.0039 44 ARG A CB +915 C CG . ARG A 54 ? 0.1919 0.2782 0.1820 0.0175 -0.0533 0.0149 44 ARG A CG +916 C CD . ARG A 54 ? 0.2207 0.3351 0.2083 0.0299 -0.0529 0.0234 44 ARG A CD +917 N NE . ARG A 54 ? 0.2546 0.3539 0.2362 0.0430 -0.0421 0.0426 44 ARG A NE +918 C CZ . ARG A 54 ? 0.3156 0.4165 0.2882 0.0569 -0.0335 0.0556 44 ARG A CZ +919 N NH1 . ARG A 54 ? 0.2727 0.3968 0.2383 0.0613 -0.0377 0.0521 44 ARG A NH1 +920 N NH2 . ARG A 54 ? 0.3220 0.4022 0.2933 0.0675 -0.0180 0.0726 44 ARG A NH2 +934 N N . LYS A 55 ? 0.1895 0.2633 0.2156 -0.0242 -0.0530 -0.0360 45 LYS A N +935 C CA . LYS A 55 ? 0.2084 0.2887 0.2486 -0.0368 -0.0474 -0.0577 45 LYS A CA +936 C C . LYS A 55 ? 0.1870 0.2318 0.2325 -0.0407 -0.0372 -0.0581 45 LYS A C +937 O O . LYS A 55 ? 0.2298 0.2759 0.2831 -0.0481 -0.0308 -0.0750 45 LYS A O +938 C CB . LYS A 55 ? 0.2272 0.3216 0.2818 -0.0460 -0.0449 -0.0678 45 LYS A CB +939 C CG . LYS A 55 ? 0.2198 0.3609 0.2693 -0.0396 -0.0549 -0.0693 45 LYS A CG +940 C CD . LYS A 55 ? 0.2921 0.4559 0.3589 -0.0509 -0.0523 -0.0845 45 LYS A CD +941 C CE . LYS A 55 ? 0.2356 0.4471 0.2946 -0.0391 -0.0594 -0.0814 45 LYS A CE +942 N NZ . LYS A 55 ? 0.2766 0.5069 0.3493 -0.0481 -0.0544 -0.0949 45 LYS A NZ +956 N N . TYR A 56 ? 0.1918 0.2078 0.2347 -0.0352 -0.0336 -0.0406 46 TYR A N +957 C CA . TYR A 56 ? 0.2223 0.2093 0.2721 -0.0354 -0.0209 -0.0379 46 TYR A CA +958 C C . TYR A 56 ? 0.2192 0.1956 0.2572 -0.0246 -0.0228 -0.0249 46 TYR A C +959 O O . TYR A 56 ? 0.2580 0.2164 0.3010 -0.0223 -0.0119 -0.0238 46 TYR A O +960 C CB . TYR A 56 ? 0.2177 0.1868 0.2773 -0.0362 -0.0106 -0.0292 46 TYR A CB +961 C CG . TYR A 56 ? 0.2272 0.2052 0.3042 -0.0507 -0.0038 -0.0483 46 TYR A CG +962 C CD1 . TYR A 56 ? 0.2336 0.2035 0.3279 -0.0626 0.0114 -0.0684 46 TYR A CD1 +963 C CD2 . TYR A 56 ? 0.2397 0.2400 0.3169 -0.0536 -0.0125 -0.0497 46 TYR A CD2 +964 C CE1 . TYR A 56 ? 0.2857 0.2711 0.3994 -0.0795 0.0188 -0.0923 46 TYR A CE1 +965 C CE2 . TYR A 56 ? 0.2508 0.2696 0.3457 -0.0682 -0.0072 -0.0712 46 TYR A CE2 +966 C CZ . TYR A 56 ? 0.2503 0.2631 0.3636 -0.0820 0.0081 -0.0935 46 TYR A CZ +967 O OH . TYR A 56 ? 0.2803 0.3176 0.4139 -0.0992 0.0145 -0.1196 46 TYR A OH +977 N N . VAL A 57 ? 0.2036 0.2624 0.2024 -0.0309 -0.0503 -0.0349 47 VAL A N +978 C CA . VAL A 57 ? 0.2021 0.2478 0.1923 -0.0244 -0.0463 -0.0335 47 VAL A CA +979 C C . VAL A 57 ? 0.2031 0.2575 0.1856 -0.0169 -0.0473 -0.0316 47 VAL A C +980 O O . VAL A 57 ? 0.2126 0.2584 0.1880 -0.0119 -0.0439 -0.0304 47 VAL A O +981 C CB . VAL A 57 ? 0.2004 0.2370 0.1946 -0.0217 -0.0403 -0.0271 47 VAL A CB +982 C CG1 . VAL A 57 ? 0.1943 0.2205 0.1939 -0.0290 -0.0391 -0.0289 47 VAL A CG1 +983 C CG2 . VAL A 57 ? 0.1864 0.2343 0.1864 -0.0172 -0.0388 -0.0197 47 VAL A CG2 +993 N N . GLY A 58 ? 0.2077 0.2792 0.1917 -0.0158 -0.0514 -0.0306 48 GLY A N +994 C CA . GLY A 58 ? 0.2263 0.3055 0.2013 -0.0092 -0.0528 -0.0291 48 GLY A CA +995 C C . GLY A 58 ? 0.2099 0.2883 0.1840 -0.0011 -0.0483 -0.0198 48 GLY A C +996 O O . GLY A 58 ? 0.2188 0.2937 0.2003 -0.0002 -0.0448 -0.0144 48 GLY A O +1000 N N . ASP A 59 ? 0.2141 0.2949 0.1784 0.0046 -0.0480 -0.0177 49 ASP A N +1001 C CA A ASP A 59 ? 0.2029 0.2840 0.1654 0.0119 -0.0446 -0.0083 49 ASP A CA +1002 C CA B ASP A 59 ? 0.2638 0.3447 0.2267 0.0118 -0.0445 -0.0083 49 ASP A CA +1003 C C . ASP A 59 ? 0.2213 0.2879 0.1794 0.0137 -0.0387 -0.0059 49 ASP A C +1004 O O . ASP A 59 ? 0.2564 0.3205 0.2138 0.0183 -0.0353 0.0017 49 ASP A O +1005 C CB A ASP A 59 ? 0.2575 0.3521 0.2122 0.0173 -0.0478 -0.0052 49 ASP A CB +1006 C CB B ASP A 59 ? 0.4951 0.5904 0.4520 0.0173 -0.0479 -0.0045 49 ASP A CB +1007 C CG A ASP A 59 ? 0.2904 0.3973 0.2515 0.0217 -0.0499 0.0017 49 ASP A CG +1008 C CG B ASP A 59 ? 0.4013 0.4962 0.3458 0.0194 -0.0478 -0.0065 49 ASP A CG +1009 O OD1 A ASP A 59 ? 0.2496 0.3612 0.2217 0.0191 -0.0511 0.0012 49 ASP A OD1 +1010 O OD1 B ASP A 59 ? 0.4528 0.5416 0.3936 0.0154 -0.0480 -0.0145 49 ASP A OD1 +1011 O OD2 A ASP A 59 ? 0.3763 0.4892 0.3313 0.0283 -0.0502 0.0081 49 ASP A OD2 +1012 O OD2 B ASP A 59 ? 0.3618 0.4619 0.3000 0.0255 -0.0471 0.0005 49 ASP A OD2 +1019 N N . GLU A 60 ? 0.2054 0.2623 0.1609 0.0102 -0.0373 -0.0122 50 GLU A N +1020 C CA . GLU A 60 ? 0.2244 0.2701 0.1769 0.0121 -0.0319 -0.0100 50 GLU A CA +1021 C C . GLU A 60 ? 0.2224 0.2596 0.1834 0.0110 -0.0284 -0.0058 50 GLU A C +1022 O O . GLU A 60 ? 0.2106 0.2452 0.1787 0.0068 -0.0293 -0.0084 50 GLU A O +1023 C CB . GLU A 60 ? 0.2383 0.2765 0.1860 0.0098 -0.0317 -0.0182 50 GLU A CB +1024 C CG . GLU A 60 ? 0.2819 0.3277 0.2190 0.0122 -0.0341 -0.0224 50 GLU A CG +1025 C CD . GLU A 60 ? 0.4966 0.5355 0.4276 0.0111 -0.0344 -0.0317 50 GLU A CD +1026 O OE1 . GLU A 60 ? 0.3528 0.3805 0.2853 0.0108 -0.0309 -0.0332 50 GLU A OE1 +1027 O OE2 . GLU A 60 ? 0.6060 0.6514 0.5297 0.0111 -0.0383 -0.0379 50 GLU A OE2 +1034 N N . VAL A 61 ? 0.2058 0.2386 0.1656 0.0142 -0.0242 0.0007 51 VAL A N +1035 C CA . VAL A 61 ? 0.2005 0.2243 0.1667 0.0132 -0.0205 0.0038 51 VAL A CA +1036 C C . VAL A 61 ? 0.2039 0.2196 0.1671 0.0124 -0.0171 0.0021 51 VAL A C +1037 O O . VAL A 61 ? 0.2226 0.2393 0.1802 0.0148 -0.0149 0.0047 51 VAL A O +1038 C CB . VAL A 61 ? 0.1969 0.2206 0.1641 0.0168 -0.0186 0.0117 51 VAL A CB +1039 C CG1 . VAL A 61 ? 0.1997 0.2135 0.1721 0.0156 -0.0149 0.0138 51 VAL A CG1 +1040 C CG2 . VAL A 61 ? 0.2075 0.2404 0.1782 0.0188 -0.0220 0.0134 51 VAL A CG2 +1050 N N . HIS A 62 ? 0.2007 0.2096 0.1676 0.0093 -0.0167 -0.0022 52 HIS A N +1051 C CA . HIS A 62 ? 0.2011 0.2036 0.1658 0.0093 -0.0140 -0.0044 52 HIS A CA +1052 C C . HIS A 62 ? 0.1897 0.1879 0.1572 0.0098 -0.0100 0.0008 52 HIS A C +1053 O O . HIS A 62 ? 0.2094 0.2045 0.1823 0.0085 -0.0095 0.0033 52 HIS A O +1054 C CB . HIS A 62 ? 0.1970 0.1930 0.1637 0.0064 -0.0153 -0.0104 52 HIS A CB +1055 C CG . HIS A 62 ? 0.2151 0.2142 0.1784 0.0051 -0.0193 -0.0164 52 HIS A CG +1056 N ND1 . HIS A 62 ? 0.2371 0.2386 0.1925 0.0076 -0.0199 -0.0204 52 HIS A ND1 +1057 C CD2 . HIS A 62 ? 0.2471 0.2489 0.2136 0.0014 -0.0231 -0.0191 52 HIS A CD2 +1058 C CE1 . HIS A 62 ? 0.2468 0.2510 0.1999 0.0054 -0.0242 -0.0260 52 HIS A CE1 +1059 N NE2 . HIS A 62 ? 0.2425 0.2474 0.2028 0.0012 -0.0263 -0.0252 52 HIS A NE2 +1067 N N . ILE A 63 ? 0.1971 0.1956 0.1610 0.0113 -0.0073 0.0020 53 ILE A N +1068 C CA . ILE A 63 ? 0.2105 0.2062 0.1769 0.0109 -0.0038 0.0066 53 ILE A CA +1069 C C . ILE A 63 ? 0.1988 0.1902 0.1676 0.0100 -0.0025 0.0035 53 ILE A C +1070 O O . ILE A 63 ? 0.2091 0.2021 0.1747 0.0118 -0.0020 -0.0000 53 ILE A O +1071 C CB . ILE A 63 ? 0.2234 0.2242 0.1850 0.0125 -0.0014 0.0110 53 ILE A CB +1072 C CG1 . ILE A 63 ? 0.2458 0.2497 0.2048 0.0139 -0.0028 0.0154 53 ILE A CG1 +1073 C CG2 . ILE A 63 ? 0.2499 0.2479 0.2145 0.0106 0.0021 0.0149 53 ILE A CG2 +1074 C CD1 . ILE A 63 ? 0.3129 0.3223 0.2655 0.0157 -0.0007 0.0203 53 ILE A CD1 +1086 N N . ARG A 64 ? 0.1872 0.1736 0.1612 0.0080 -0.0016 0.0049 54 ARG A N +1087 C CA . ARG A 64 ? 0.1916 0.1746 0.1680 0.0076 -0.0006 0.0030 54 ARG A CA +1088 C C . ARG A 64 ? 0.2066 0.1902 0.1853 0.0062 0.0019 0.0070 54 ARG A C +1089 O O . ARG A 64 ? 0.2161 0.1962 0.1976 0.0043 0.0021 0.0092 54 ARG A O +1090 C CB . ARG A 64 ? 0.1944 0.1716 0.1743 0.0059 -0.0023 0.0010 54 ARG A CB +1091 C CG . ARG A 64 ? 0.1942 0.1711 0.1739 0.0049 -0.0051 -0.0014 54 ARG A CG +1092 C CD . ARG A 64 ? 0.2179 0.1946 0.1937 0.0059 -0.0068 -0.0061 54 ARG A CD +1093 N NE . ARG A 64 ? 0.2015 0.1762 0.1786 0.0032 -0.0098 -0.0092 54 ARG A NE +1094 C CZ . ARG A 64 ? 0.2141 0.1878 0.1877 0.0029 -0.0121 -0.0143 54 ARG A CZ +1095 N NH1 . ARG A 64 ? 0.2249 0.2006 0.1925 0.0060 -0.0119 -0.0170 54 ARG A NH1 +1096 N NH2 . ARG A 64 ? 0.2417 0.2127 0.2177 -0.0011 -0.0147 -0.0169 54 ARG A NH2 +1110 N N . ALA A 65 ? 0.1799 0.1683 0.1578 0.0070 0.0040 0.0076 55 ALA A N +1111 C CA . ALA A 65 ? 0.1715 0.1615 0.1521 0.0044 0.0062 0.0113 55 ALA A CA +1112 C C . ALA A 65 ? 0.1742 0.1621 0.1589 0.0033 0.0060 0.0098 55 ALA A C +1113 O O . ALA A 65 ? 0.1921 0.1822 0.1771 0.0057 0.0058 0.0072 55 ALA A O +1114 C CB . ALA A 65 ? 0.1909 0.1896 0.1699 0.0050 0.0087 0.0130 55 ALA A CB +1120 N N . ILE A 66 ? 0.1733 0.1571 0.1605 0.0002 0.0060 0.0116 56 ILE A N +1121 C CA . ILE A 66 ? 0.1790 0.1613 0.1692 -0.0009 0.0055 0.0103 56 ILE A CA +1122 C C . ILE A 66 ? 0.1764 0.1644 0.1691 -0.0035 0.0068 0.0116 56 ILE A C +1123 O O . ILE A 66 ? 0.1995 0.1872 0.1925 -0.0070 0.0080 0.0142 56 ILE A O +1124 C CB . ILE A 66 ? 0.1726 0.1479 0.1635 -0.0026 0.0047 0.0104 56 ILE A CB +1125 C CG1 . ILE A 66 ? 0.2050 0.1767 0.1948 -0.0009 0.0034 0.0096 56 ILE A CG1 +1126 C CG2 . ILE A 66 ? 0.2047 0.1795 0.1975 -0.0030 0.0039 0.0088 56 ILE A CG2 +1127 C CD1 A ILE A 66 ? 0.2082 0.1750 0.1990 -0.0019 0.0034 0.0103 56 ILE A CD1 +1139 N N . ILE A 67 ? 0.1659 0.1590 0.1606 -0.0020 0.0065 0.0101 57 ILE A N +1140 C CA . ILE A 67 ? 0.1644 0.1648 0.1627 -0.0049 0.0070 0.0110 57 ILE A CA +1141 C C . ILE A 67 ? 0.1573 0.1550 0.1567 -0.0052 0.0051 0.0094 57 ILE A C +1142 O O . ILE A 67 ? 0.1620 0.1594 0.1609 -0.0013 0.0040 0.0081 57 ILE A O +1143 C CB . ILE A 67 ? 0.1660 0.1781 0.1659 -0.0021 0.0082 0.0109 57 ILE A CB +1144 C CG1 . ILE A 67 ? 0.1806 0.1961 0.1782 -0.0012 0.0103 0.0123 57 ILE A CG1 +1145 C CG2 . ILE A 67 ? 0.1805 0.2028 0.1855 -0.0057 0.0084 0.0119 57 ILE A CG2 +1146 C CD1 . ILE A 67 ? 0.1954 0.2226 0.1938 0.0032 0.0119 0.0115 57 ILE A CD1 +1158 N N . GLU A 68 ? 0.1596 0.1545 0.1597 -0.0100 0.0048 0.0097 58 GLU A N +1159 C CA . GLU A 68 ? 0.1623 0.1550 0.1623 -0.0107 0.0031 0.0080 58 GLU A CA +1160 C C . GLU A 68 ? 0.1659 0.1695 0.1694 -0.0128 0.0024 0.0078 58 GLU A C +1161 O O . GLU A 68 ? 0.1773 0.1834 0.1827 -0.0184 0.0026 0.0079 58 GLU A O +1162 C CB . GLU A 68 ? 0.1748 0.1583 0.1730 -0.0141 0.0033 0.0075 58 GLU A CB +1163 C CG . GLU A 68 ? 0.1982 0.1738 0.1941 -0.0117 0.0039 0.0082 58 GLU A CG +1164 C CD . GLU A 68 ? 0.2380 0.2054 0.2324 -0.0140 0.0047 0.0087 58 GLU A CD +1165 O OE1 . GLU A 68 ? 0.2642 0.2314 0.2593 -0.0182 0.0054 0.0095 58 GLU A OE1 +1166 O OE2 . GLU A 68 ? 0.2550 0.2170 0.2478 -0.0115 0.0049 0.0088 58 GLU A OE2 +1173 N N . PHE A 69 ? 0.1670 0.1777 0.1717 -0.0083 0.0016 0.0077 59 PHE A N +1174 C CA . PHE A 69 ? 0.1574 0.1823 0.1665 -0.0089 0.0013 0.0081 59 PHE A CA +1175 C C . PHE A 69 ? 0.1735 0.2046 0.1841 -0.0111 -0.0012 0.0070 59 PHE A C +1176 O O . PHE A 69 ? 0.1613 0.2059 0.1764 -0.0127 -0.0018 0.0072 59 PHE A O +1177 C CB . PHE A 69 ? 0.1594 0.1904 0.1692 -0.0016 0.0019 0.0086 59 PHE A CB +1178 C CG . PHE A 69 ? 0.1643 0.1896 0.1712 0.0043 0.0004 0.0081 59 PHE A CG +1179 C CD1 . PHE A 69 ? 0.1654 0.1979 0.1736 0.0069 -0.0016 0.0085 59 PHE A CD1 +1180 C CD2 . PHE A 69 ? 0.1801 0.1933 0.1830 0.0071 0.0008 0.0077 59 PHE A CD2 +1181 C CE1 . PHE A 69 ? 0.1710 0.1970 0.1759 0.0123 -0.0028 0.0091 59 PHE A CE1 +1182 C CE2 . PHE A 69 ? 0.1659 0.1723 0.1660 0.0115 -0.0004 0.0078 59 PHE A CE2 +1183 C CZ . PHE A 69 ? 0.1739 0.1863 0.1749 0.0142 -0.0020 0.0089 59 PHE A CZ +1193 N N . SER A 70 ? 0.1559 0.1786 0.1627 -0.0109 -0.0025 0.0059 60 SER A N +1194 C CA . SER A 70 ? 0.1570 0.1847 0.1635 -0.0133 -0.0051 0.0044 60 SER A CA +1195 C C . SER A 70 ? 0.1527 0.1682 0.1542 -0.0150 -0.0052 0.0027 60 SER A C +1196 O O . SER A 70 ? 0.1689 0.1754 0.1674 -0.0115 -0.0041 0.0036 60 SER A O +1197 C CB . SER A 70 ? 0.1641 0.1994 0.1706 -0.0068 -0.0068 0.0057 60 SER A CB +1198 O OG . SER A 70 ? 0.1721 0.2109 0.1766 -0.0089 -0.0094 0.0043 60 SER A OG +1204 N N . ASN A 71 ? 0.1679 0.1838 0.1685 -0.0203 -0.0065 0.0000 61 ASN A N +1205 C CA . ASN A 71 ? 0.1732 0.1792 0.1684 -0.0210 -0.0066 -0.0022 61 ASN A CA +1206 C C . ASN A 71 ? 0.1835 0.1959 0.1757 -0.0197 -0.0091 -0.0035 61 ASN A C +1207 O O . ASN A 71 ? 0.1959 0.2028 0.1832 -0.0211 -0.0094 -0.0063 61 ASN A O +1208 C CB . ASN A 71 ? 0.1801 0.1778 0.1744 -0.0270 -0.0059 -0.0051 61 ASN A CB +1209 C CG . ASN A 71 ? 0.1698 0.1743 0.1655 -0.0335 -0.0082 -0.0082 61 ASN A CG +1210 O OD1 . ASN A 71 ? 0.1842 0.2023 0.1830 -0.0337 -0.0103 -0.0078 61 ASN A OD1 +1211 N ND2 . ASN A 71 ? 0.1820 0.1769 0.1759 -0.0391 -0.0078 -0.0112 61 ASN A ND2 +1218 N N . VAL A 72 ? 0.1721 0.1958 0.1663 -0.0163 -0.0108 -0.0014 62 VAL A N +1219 C CA . VAL A 72 ? 0.1655 0.1962 0.1562 -0.0139 -0.0134 -0.0014 62 VAL A CA +1220 C C . VAL A 72 ? 0.1764 0.1990 0.1626 -0.0082 -0.0119 0.0016 62 VAL A C +1221 O O . VAL A 72 ? 0.1846 0.2034 0.1724 -0.0041 -0.0104 0.0048 62 VAL A O +1222 C CB . VAL A 72 ? 0.1767 0.2228 0.1718 -0.0114 -0.0157 0.0005 62 VAL A CB +1223 C CG1 . VAL A 72 ? 0.1847 0.2386 0.1757 -0.0074 -0.0185 0.0018 62 VAL A CG1 +1224 C CG2 . VAL A 72 ? 0.2014 0.2578 0.2021 -0.0183 -0.0170 -0.0022 62 VAL A CG2 +1234 N N . CYS A 73 ? 0.1823 0.2030 0.1624 -0.0080 -0.0124 0.0006 63 CYS A N +1235 C CA . CYS A 73 ? 0.1952 0.2097 0.1712 -0.0035 -0.0108 0.0042 63 CYS A CA +1236 C C . CYS A 73 ? 0.1887 0.2095 0.1586 -0.0015 -0.0127 0.0052 63 CYS A C +1237 O O . CYS A 73 ? 0.1963 0.2210 0.1626 -0.0045 -0.0141 0.0012 63 CYS A O +1238 C CB . CYS A 73 ? 0.1979 0.2009 0.1721 -0.0049 -0.0077 0.0030 63 CYS A CB +1239 S SG . CYS A 73 ? 0.1939 0.1904 0.1658 -0.0006 -0.0055 0.0082 63 CYS A SG +1244 N N . ARG A 74 ? 0.1912 0.2118 0.1593 0.0038 -0.0125 0.0107 64 ARG A N +1245 C CA . ARG A 74 ? 0.1920 0.2175 0.1533 0.0066 -0.0138 0.0135 64 ARG A CA +1246 C C . ARG A 74 ? 0.1888 0.2077 0.1443 0.0058 -0.0110 0.0138 64 ARG A C +1247 O O . ARG A 74 ? 0.2101 0.2345 0.1588 0.0073 -0.0118 0.0152 64 ARG A O +1248 C CB . ARG A 74 ? 0.2021 0.2283 0.1634 0.0130 -0.0145 0.0201 64 ARG A CB +1249 C CG . ARG A 74 ? 0.2041 0.2172 0.1659 0.0149 -0.0115 0.0241 64 ARG A CG +1250 C CD . ARG A 74 ? 0.2233 0.2345 0.1850 0.0212 -0.0123 0.0298 64 ARG A CD +1251 N NE . ARG A 74 ? 0.2226 0.2196 0.1850 0.0218 -0.0096 0.0325 64 ARG A NE +1252 C CZ . ARG A 74 ? 0.2625 0.2522 0.2234 0.0268 -0.0095 0.0378 64 ARG A CZ +1253 N NH1 . ARG A 74 ? 0.2923 0.2879 0.2507 0.0330 -0.0120 0.0418 64 ARG A NH1 +1254 N NH2 . ARG A 74 ? 0.2723 0.2484 0.2337 0.0256 -0.0072 0.0392 64 ARG A NH2 +1268 N N . LYS A 75 ? 0.1945 0.2039 0.1523 0.0039 -0.0078 0.0128 65 LYS A N +1269 C CA . LYS A 75 ? 0.2150 0.2199 0.1685 0.0033 -0.0047 0.0134 65 LYS A CA +1270 C C . LYS A 75 ? 0.1951 0.2004 0.1465 0.0002 -0.0041 0.0066 65 LYS A C +1271 O O . LYS A 75 ? 0.2125 0.2197 0.1655 -0.0024 -0.0063 0.0016 65 LYS A O +1272 C CB . LYS A 75 ? 0.2100 0.2056 0.1676 0.0034 -0.0018 0.0165 65 LYS A CB +1273 C CG . LYS A 75 ? 0.2239 0.2168 0.1804 0.0065 -0.0016 0.0236 65 LYS A CG +1274 C CD . LYS A 75 ? 0.2275 0.2110 0.1879 0.0052 0.0009 0.0257 65 LYS A CD +1275 C CE . LYS A 75 ? 0.2426 0.2205 0.2008 0.0069 0.0017 0.0328 65 LYS A CE +1276 N NZ . LYS A 75 ? 0.2445 0.2223 0.2016 0.0114 -0.0009 0.0358 65 LYS A NZ +1290 N N . ASN A 76 ? 0.2100 0.2137 0.1571 0.0007 -0.0012 0.0066 66 ASN A N +1291 C CA . ASN A 76 ? 0.2166 0.2207 0.1595 -0.0007 -0.0005 -0.0000 66 ASN A CA +1292 C C . ASN A 76 ? 0.2082 0.2068 0.1521 -0.0001 0.0038 -0.0003 66 ASN A C +1293 O O . ASN A 76 ? 0.2225 0.2232 0.1609 0.0010 0.0058 -0.0033 66 ASN A O +1294 C CB . ASN A 76 ? 0.2144 0.2271 0.1482 0.0006 -0.0016 -0.0006 66 ASN A CB +1295 C CG . ASN A 76 ? 0.2277 0.2419 0.1566 -0.0015 -0.0033 -0.0094 66 ASN A CG +1296 O OD1 . ASN A 76 ? 0.2297 0.2393 0.1624 -0.0046 -0.0047 -0.0144 66 ASN A OD1 +1297 N ND2 . ASN A 76 ? 0.2524 0.2726 0.1723 0.0001 -0.0028 -0.0112 66 ASN A ND2 +1304 N N . CYS A 77 ? 0.2001 0.1932 0.1511 -0.0004 0.0051 0.0023 67 CYS A N +1305 C CA . CYS A 77 ? 0.1948 0.1850 0.1479 0.0003 0.0087 0.0024 67 CYS A CA +1306 C C . CYS A 77 ? 0.2018 0.1900 0.1522 0.0009 0.0098 -0.0043 67 CYS A C +1307 O O . CYS A 77 ? 0.2170 0.2007 0.1678 -0.0007 0.0077 -0.0090 67 CYS A O +1308 C CB . CYS A 77 ? 0.1926 0.1775 0.1535 -0.0007 0.0088 0.0047 67 CYS A CB +1309 S SG . CYS A 77 ? 0.2105 0.1945 0.1742 -0.0009 0.0073 0.0113 67 CYS A SG +1314 N N . LEU A 78 ? 0.2037 0.1947 0.1515 0.0032 0.0133 -0.0047 68 LEU A N +1315 C CA . LEU A 78 ? 0.2154 0.2045 0.1587 0.0051 0.0146 -0.0117 68 LEU A CA +1316 C C . LEU A 78 ? 0.2177 0.1979 0.1658 0.0054 0.0147 -0.0148 68 LEU A C +1317 O O . LEU A 78 ? 0.2240 0.1984 0.1686 0.0062 0.0145 -0.0211 68 LEU A O +1318 C CB . LEU A 78 ? 0.2146 0.2106 0.1540 0.0085 0.0189 -0.0112 68 LEU A CB +1319 C CG . LEU A 78 ? 0.2560 0.2598 0.1859 0.0093 0.0190 -0.0117 68 LEU A CG +1320 C CD1 . LEU A 78 ? 0.2745 0.2829 0.2041 0.0072 0.0171 -0.0046 68 LEU A CD1 +1321 C CD2 . LEU A 78 ? 0.2551 0.2665 0.1810 0.0131 0.0240 -0.0119 68 LEU A CD2 +1333 N N . TYR A 79 ? 0.2096 0.1880 0.1653 0.0049 0.0150 -0.0106 69 TYR A N +1334 C CA . TYR A 79 ? 0.2029 0.1738 0.1630 0.0058 0.0152 -0.0124 69 TYR A CA +1335 C C . TYR A 79 ? 0.2066 0.1704 0.1683 0.0024 0.0120 -0.0136 69 TYR A C +1336 O O . TYR A 79 ? 0.2127 0.1687 0.1763 0.0030 0.0120 -0.0153 69 TYR A O +1337 C CB . TYR A 79 ? 0.1993 0.1736 0.1664 0.0069 0.0168 -0.0075 69 TYR A CB +1338 C CG . TYR A 79 ? 0.1861 0.1639 0.1565 0.0038 0.0155 -0.0020 69 TYR A CG +1339 C CD1 . TYR A 79 ? 0.1969 0.1705 0.1705 0.0014 0.0128 -0.0006 69 TYR A CD1 +1340 C CD2 . TYR A 79 ? 0.1906 0.1755 0.1608 0.0035 0.0173 0.0020 69 TYR A CD2 +1341 C CE1 . TYR A 79 ? 0.1857 0.1611 0.1615 -0.0004 0.0117 0.0038 69 TYR A CE1 +1342 C CE2 . TYR A 79 ? 0.2053 0.1908 0.1778 0.0009 0.0162 0.0068 69 TYR A CE2 +1343 C CZ . TYR A 79 ? 0.1992 0.1795 0.1743 -0.0007 0.0134 0.0075 69 TYR A CZ +1344 O OH . TYR A 79 ? 0.2254 0.2051 0.2022 -0.0024 0.0124 0.0119 69 TYR A OH +1354 N N . CYS A 80 ? 0.2003 0.1670 0.1621 -0.0007 0.0094 -0.0119 70 CYS A N +1355 C CA . CYS A 80 ? 0.2009 0.1641 0.1666 -0.0037 0.0070 -0.0111 70 CYS A CA +1356 C C . CYS A 80 ? 0.1879 0.1485 0.1506 -0.0071 0.0047 -0.0158 70 CYS A C +1357 O O . CYS A 80 ? 0.2108 0.1767 0.1692 -0.0081 0.0032 -0.0177 70 CYS A O +1358 C CB . CYS A 80 ? 0.2023 0.1712 0.1709 -0.0044 0.0057 -0.0062 70 CYS A CB +1359 S SG . CYS A 80 ? 0.2021 0.1695 0.1758 -0.0071 0.0034 -0.0048 70 CYS A SG +1364 N N . GLY A 81 ? 0.1983 0.1514 0.1634 -0.0094 0.0042 -0.0171 71 GLY A N +1365 C CA . GLY A 81 ? 0.2142 0.1647 0.1774 -0.0141 0.0019 -0.0213 71 GLY A CA +1366 C C . GLY A 81 ? 0.2025 0.1630 0.1677 -0.0174 -0.0010 -0.0198 71 GLY A C +1367 O O . GLY A 81 ? 0.2332 0.1953 0.1964 -0.0217 -0.0034 -0.0238 71 GLY A O +1371 N N . LEU A 82 ? 0.1979 0.1649 0.1669 -0.0155 -0.0010 -0.0145 72 LEU A N +1372 C CA . LEU A 82 ? 0.1983 0.1752 0.1694 -0.0170 -0.0037 -0.0129 72 LEU A CA +1373 C C . LEU A 82 ? 0.2008 0.1856 0.1672 -0.0149 -0.0049 -0.0126 72 LEU A C +1374 O O . LEU A 82 ? 0.2056 0.1997 0.1732 -0.0150 -0.0074 -0.0109 72 LEU A O +1375 C CB . LEU A 82 ? 0.1861 0.1655 0.1627 -0.0152 -0.0033 -0.0078 72 LEU A CB +1376 C CG . LEU A 82 ? 0.2404 0.2135 0.2209 -0.0167 -0.0019 -0.0069 72 LEU A CG +1377 C CD1 . LEU A 82 ? 0.2144 0.1924 0.1994 -0.0149 -0.0020 -0.0029 72 LEU A CD1 +1378 C CD2 . LEU A 82 ? 0.2773 0.2474 0.2583 -0.0217 -0.0026 -0.0099 72 LEU A CD2 +1390 N N . ARG A 83 ? 0.1944 0.1769 0.1556 -0.0124 -0.0032 -0.0138 73 ARG A N +1391 C CA . ARG A 83 ? 0.2012 0.1917 0.1571 -0.0102 -0.0040 -0.0128 73 ARG A CA +1392 C C . ARG A 83 ? 0.2061 0.2045 0.1597 -0.0131 -0.0079 -0.0161 73 ARG A C +1393 O O . ARG A 83 ? 0.2089 0.2049 0.1624 -0.0175 -0.0094 -0.0215 73 ARG A O +1394 C CB . ARG A 83 ? 0.2013 0.1890 0.1512 -0.0079 -0.0013 -0.0150 73 ARG A CB +1395 C CG . ARG A 83 ? 0.2173 0.2000 0.1624 -0.0098 -0.0015 -0.0228 73 ARG A CG +1396 C CD . ARG A 83 ? 0.2149 0.1932 0.1561 -0.0060 0.0023 -0.0248 73 ARG A CD +1397 N NE . ARG A 83 ? 0.2248 0.2116 0.1618 -0.0028 0.0039 -0.0212 73 ARG A NE +1398 C CZ . ARG A 83 ? 0.2244 0.2175 0.1530 -0.0019 0.0033 -0.0239 73 ARG A CZ +1399 N NH1 . ARG A 83 ? 0.2397 0.2314 0.1629 -0.0040 0.0010 -0.0316 73 ARG A NH1 +1400 N NH2 . ARG A 83 ? 0.2535 0.2542 0.1788 0.0010 0.0053 -0.0189 73 ARG A NH2 +1414 N N . ARG A 84 ? 0.1996 0.2077 0.1513 -0.0108 -0.0097 -0.0125 74 ARG A N +1415 C CA . ARG A 84 ? 0.2167 0.2355 0.1675 -0.0131 -0.0141 -0.0148 74 ARG A CA +1416 C C . ARG A 84 ? 0.2352 0.2548 0.1792 -0.0165 -0.0157 -0.0225 74 ARG A C +1417 O O . ARG A 84 ? 0.2351 0.2607 0.1801 -0.0211 -0.0193 -0.0267 74 ARG A O +1418 C CB . ARG A 84 ? 0.2151 0.2442 0.1638 -0.0085 -0.0157 -0.0089 74 ARG A CB +1419 C CG . ARG A 84 ? 0.2395 0.2700 0.1796 -0.0050 -0.0144 -0.0071 74 ARG A CG +1420 C CD . ARG A 84 ? 0.2536 0.2932 0.1910 -0.0003 -0.0163 -0.0002 74 ARG A CD +1421 N NE . ARG A 84 ? 0.2548 0.2958 0.1830 0.0022 -0.0145 0.0013 74 ARG A NE +1422 C CZ . ARG A 84 ? 0.2522 0.2877 0.1787 0.0051 -0.0107 0.0076 74 ARG A CZ +1423 N NH1 . ARG A 84 ? 0.2552 0.2829 0.1882 0.0062 -0.0088 0.0126 74 ARG A NH1 +1424 N NH2 . ARG A 84 ? 0.2631 0.3013 0.1809 0.0065 -0.0086 0.0083 74 ARG A NH2 +1438 N N . ASP A 85 ? 0.2256 0.2396 0.1628 -0.0144 -0.0130 -0.0248 75 ASP A N +1439 C CA . ASP A 85 ? 0.2488 0.2623 0.1783 -0.0169 -0.0144 -0.0332 75 ASP A CA +1440 C C . ASP A 85 ? 0.2557 0.2574 0.1874 -0.0220 -0.0144 -0.0399 75 ASP A C +1441 O O . ASP A 85 ? 0.2777 0.2774 0.2033 -0.0252 -0.0162 -0.0479 75 ASP A O +1442 C CB . ASP A 85 ? 0.2492 0.2618 0.1699 -0.0123 -0.0113 -0.0339 75 ASP A CB +1443 C CG . ASP A 85 ? 0.2988 0.3241 0.2135 -0.0088 -0.0124 -0.0295 75 ASP A CG +1444 O OD1 . ASP A 85 ? 0.3171 0.3520 0.2338 -0.0096 -0.0163 -0.0268 75 ASP A OD1 +1445 O OD2 . ASP A 85 ? 0.2973 0.3234 0.2051 -0.0051 -0.0093 -0.0289 75 ASP A OD2 +1450 N N . ASN A 86 ? 0.2552 0.2486 0.1945 -0.0231 -0.0125 -0.0372 76 ASN A N +1451 C CA . ASN A 86 ? 0.2484 0.2296 0.1896 -0.0280 -0.0124 -0.0424 76 ASN A CA +1452 C C . ASN A 86 ? 0.2772 0.2646 0.2226 -0.0353 -0.0165 -0.0443 76 ASN A C +1453 O O . ASN A 86 ? 0.2727 0.2646 0.2262 -0.0369 -0.0169 -0.0393 76 ASN A O +1454 C CB . ASN A 86 ? 0.2491 0.2204 0.1963 -0.0260 -0.0088 -0.0378 76 ASN A CB +1455 C CG . ASN A 86 ? 0.2800 0.2380 0.2288 -0.0307 -0.0085 -0.0417 76 ASN A CG +1456 O OD1 . ASN A 86 ? 0.3180 0.2718 0.2625 -0.0357 -0.0107 -0.0487 76 ASN A OD1 +1457 N ND2 . ASN A 86 ? 0.2693 0.2202 0.2234 -0.0298 -0.0062 -0.0374 76 ASN A ND2 +1464 N N . LYS A 87 ? 0.2787 0.2682 0.2188 -0.0399 -0.0198 -0.0517 77 LYS A N +1465 C CA . LYS A 87 ? 0.3020 0.2991 0.2466 -0.0481 -0.0240 -0.0541 77 LYS A CA +1466 C C . LYS A 87 ? 0.2900 0.2730 0.2382 -0.0554 -0.0234 -0.0573 77 LYS A C +1467 O O . LYS A 87 ? 0.3836 0.3729 0.3368 -0.0634 -0.0265 -0.0588 77 LYS A O +1468 C CB . LYS A 87 ? 0.3586 0.3660 0.2960 -0.0508 -0.0286 -0.0610 77 LYS A CB +1469 C CG . LYS A 87 ? 0.3616 0.3821 0.2937 -0.0437 -0.0292 -0.0576 77 LYS A CG +1470 C CD . LYS A 87 ? 0.8157 0.8491 0.7552 -0.0396 -0.0294 -0.0480 77 LYS A CD +1471 C CE . LYS A 87 ? 1.0755 1.1190 1.0084 -0.0321 -0.0296 -0.0438 77 LYS A CE +1472 N NZ . LYS A 87 ? 0.9650 1.0201 0.9042 -0.0278 -0.0304 -0.0349 77 LYS A NZ +1486 N N A ASN A 88 ? 0.3563 0.3209 0.3021 -0.0530 -0.0195 -0.0581 78 ASN A N +1487 N N B ASN A 88 ? 0.2688 0.2334 0.2146 -0.0526 -0.0194 -0.0579 78 ASN A N +1488 C CA A ASN A 88 ? 0.3198 0.2692 0.2683 -0.0597 -0.0188 -0.0603 78 ASN A CA +1489 C CA B ASN A 88 ? 0.3323 0.2802 0.2802 -0.0582 -0.0182 -0.0599 78 ASN A CA +1490 C C A ASN A 88 ? 0.3064 0.2600 0.2652 -0.0619 -0.0177 -0.0523 78 ASN A C +1491 C C B ASN A 88 ? 0.3318 0.2788 0.2887 -0.0580 -0.0157 -0.0516 78 ASN A C +1492 O O A ASN A 88 ? 0.3894 0.3391 0.3526 -0.0702 -0.0185 -0.0528 78 ASN A O +1493 O O B ASN A 88 ? 0.3928 0.3240 0.3501 -0.0580 -0.0129 -0.0505 78 ASN A O +1494 C CB A ASN A 88 ? 0.3450 0.2744 0.2873 -0.0544 -0.0150 -0.0629 78 ASN A CB +1495 C CB B ASN A 88 ? 0.4424 0.3710 0.3827 -0.0536 -0.0150 -0.0643 78 ASN A CB +1496 C CG A ASN A 88 ? 0.4209 0.3303 0.3618 -0.0606 -0.0147 -0.0674 78 ASN A CG +1497 C CG B ASN A 88 ? 0.4724 0.3973 0.4026 -0.0545 -0.0170 -0.0743 78 ASN A CG +1498 O OD1 A ASN A 88 ? 0.4310 0.3399 0.3730 -0.0703 -0.0179 -0.0716 78 ASN A OD1 +1499 O OD1 B ASN A 88 ? 0.5721 0.5051 0.5009 -0.0615 -0.0214 -0.0793 78 ASN A OD1 +1500 N ND2 A ASN A 88 ? 0.4131 0.3056 0.3514 -0.0548 -0.0109 -0.0667 78 ASN A ND2 +1501 N ND2 B ASN A 88 ? 0.5704 0.4840 0.4933 -0.0473 -0.0139 -0.0776 78 ASN A ND2 +1514 N N A LEU A 89 ? 0.3495 0.3119 0.3121 -0.0552 -0.0160 -0.0452 79 LEU A N +1515 N N B LEU A 89 ? 0.2967 0.2600 0.2599 -0.0567 -0.0165 -0.0456 79 LEU A N +1516 C CA A LEU A 89 ? 0.2727 0.2371 0.2434 -0.0555 -0.0141 -0.0382 79 LEU A CA +1517 C CA B LEU A 89 ? 0.2844 0.2487 0.2553 -0.0556 -0.0141 -0.0381 79 LEU A CA +1518 C C A LEU A 89 ? 0.2283 0.2103 0.2062 -0.0607 -0.0169 -0.0361 79 LEU A C +1519 C C B LEU A 89 ? 0.2997 0.2818 0.2779 -0.0600 -0.0167 -0.0354 79 LEU A C +1520 O O A LEU A 89 ? 0.2655 0.2628 0.2434 -0.0592 -0.0198 -0.0366 79 LEU A O +1521 O O B LEU A 89 ? 0.2742 0.2713 0.2525 -0.0569 -0.0189 -0.0347 79 LEU A O +1522 C CB . LEU A 89 ? 0.2819 0.2477 0.2526 -0.0462 -0.0114 -0.0327 79 LEU A CB +1523 C CG . LEU A 89 ? 0.2747 0.2409 0.2521 -0.0446 -0.0091 -0.0259 79 LEU A CG +1524 C CD1 . LEU A 89 ? 0.2977 0.2482 0.2754 -0.0473 -0.0068 -0.0255 79 LEU A CD1 +1525 C CD2 . LEU A 89 ? 0.2768 0.2450 0.2536 -0.0363 -0.0073 -0.0218 79 LEU A CD2 +1541 N N . LYS A 90 ? 0.2590 0.2402 0.2434 -0.0664 -0.0160 -0.0332 80 LYS A N +1542 C CA . LYS A 90 ? 0.2451 0.2452 0.2376 -0.0699 -0.0177 -0.0301 80 LYS A CA +1543 C C . LYS A 90 ? 0.2161 0.2248 0.2119 -0.0610 -0.0158 -0.0234 80 LYS A C +1544 O O . LYS A 90 ? 0.2263 0.2255 0.2217 -0.0565 -0.0124 -0.0197 80 LYS A O +1545 C CB . LYS A 90 ? 0.2598 0.2564 0.2579 -0.0791 -0.0166 -0.0287 80 LYS A CB +1546 C CG . LYS A 90 ? 0.3384 0.3561 0.3461 -0.0826 -0.0174 -0.0248 80 LYS A CG +1547 C CD . LYS A 90 ? 0.8572 0.8922 0.8674 -0.0880 -0.0222 -0.0291 80 LYS A CD +1548 C CE . LYS A 90 ? 0.6612 0.7179 0.6822 -0.0925 -0.0227 -0.0253 80 LYS A CE +1549 N NZ . LYS A 90 ? 1.1513 1.2284 1.1750 -0.0960 -0.0279 -0.0291 80 LYS A NZ +1562 N N . ARG A 91 ? 0.2063 0.2329 0.2050 -0.0582 -0.0181 -0.0221 81 ARG A N +1563 C CA . ARG A 91 ? 0.1959 0.2295 0.1970 -0.0496 -0.0167 -0.0165 81 ARG A CA +1564 C C . ARG A 91 ? 0.1877 0.2342 0.1974 -0.0513 -0.0160 -0.0127 81 ARG A C +1565 O O . ARG A 91 ? 0.2087 0.2658 0.2235 -0.0588 -0.0176 -0.0140 81 ARG A O +1566 C CB . ARG A 91 ? 0.2075 0.2513 0.2053 -0.0439 -0.0195 -0.0168 81 ARG A CB +1567 C CG . ARG A 91 ? 0.2217 0.2548 0.2104 -0.0421 -0.0198 -0.0204 81 ARG A CG +1568 C CD . ARG A 91 ? 0.2279 0.2476 0.2133 -0.0360 -0.0162 -0.0178 81 ARG A CD +1569 N NE . ARG A 91 ? 0.2212 0.2333 0.1983 -0.0346 -0.0162 -0.0215 81 ARG A NE +1570 C CZ . ARG A 91 ? 0.2335 0.2392 0.2066 -0.0287 -0.0139 -0.0195 81 ARG A CZ +1571 N NH1 . ARG A 91 ? 0.2215 0.2261 0.1975 -0.0239 -0.0118 -0.0141 81 ARG A NH1 +1572 N NH2 . ARG A 91 ? 0.2411 0.2421 0.2068 -0.0277 -0.0136 -0.0232 81 ARG A NH2 +1586 N N . TYR A 92 ? 0.1789 0.2245 0.1900 -0.0445 -0.0133 -0.0081 82 TYR A N +1587 C CA . TYR A 92 ? 0.1764 0.2340 0.1946 -0.0442 -0.0118 -0.0045 82 TYR A CA +1588 C C . TYR A 92 ? 0.1534 0.2144 0.1714 -0.0339 -0.0108 -0.0011 82 TYR A C +1589 O O . TYR A 92 ? 0.1658 0.2162 0.1784 -0.0281 -0.0103 -0.0007 82 TYR A O +1590 C CB . TYR A 92 ? 0.1662 0.2139 0.1856 -0.0486 -0.0082 -0.0025 82 TYR A CB +1591 C CG . TYR A 92 ? 0.1740 0.2067 0.1887 -0.0425 -0.0055 -0.0006 82 TYR A CG +1592 C CD1 . TYR A 92 ? 0.1887 0.2042 0.1975 -0.0430 -0.0050 -0.0026 82 TYR A CD1 +1593 C CD2 . TYR A 92 ? 0.1782 0.2144 0.1942 -0.0359 -0.0035 0.0028 82 TYR A CD2 +1594 C CE1 . TYR A 92 ? 0.1829 0.1870 0.1882 -0.0376 -0.0029 -0.0008 82 TYR A CE1 +1595 C CE2 . TYR A 92 ? 0.1646 0.1881 0.1763 -0.0309 -0.0016 0.0041 82 TYR A CE2 +1596 C CZ . TYR A 92 ? 0.1761 0.1846 0.1830 -0.0320 -0.0013 0.0025 82 TYR A CZ +1597 O OH . TYR A 92 ? 0.1857 0.1837 0.1892 -0.0276 0.0002 0.0037 82 TYR A OH +1607 N N . ARG A 93 ? 0.1646 0.2409 0.1889 -0.0320 -0.0103 0.0013 83 ARG A N +1608 C CA . ARG A 93 ? 0.1727 0.2516 0.1974 -0.0226 -0.0087 0.0043 83 ARG A CA +1609 C C . ARG A 93 ? 0.1723 0.2608 0.2028 -0.0237 -0.0059 0.0064 83 ARG A C +1610 O O . ARG A 93 ? 0.1774 0.2814 0.2143 -0.0290 -0.0064 0.0065 83 ARG A O +1611 C CB . ARG A 93 ? 0.2435 0.3376 0.2703 -0.0164 -0.0115 0.0049 83 ARG A CB +1612 C CG . ARG A 93 ? 0.2428 0.3303 0.2635 -0.0131 -0.0140 0.0042 83 ARG A CG +1613 C CD . ARG A 93 ? 0.2394 0.3427 0.2623 -0.0065 -0.0168 0.0059 83 ARG A CD +1614 N NE . ARG A 93 ? 0.1940 0.2891 0.2098 -0.0023 -0.0185 0.0064 83 ARG A NE +1615 C CZ . ARG A 93 ? 0.2068 0.3122 0.2212 -0.0010 -0.0222 0.0064 83 ARG A CZ +1616 N NH1 . ARG A 93 ? 0.2095 0.3346 0.2296 -0.0042 -0.0251 0.0052 83 ARG A NH1 +1617 N NH2 . ARG A 93 ? 0.2038 0.3006 0.2109 0.0032 -0.0230 0.0078 83 ARG A NH2 +1631 N N . MET A 94 ? 0.1566 0.2374 0.1847 -0.0183 -0.0030 0.0080 84 MET A N +1632 C CA . MET A 94 ? 0.1507 0.2412 0.1829 -0.0174 0.0001 0.0101 84 MET A CA +1633 C C . MET A 94 ? 0.1512 0.2561 0.1864 -0.0083 -0.0001 0.0108 84 MET A C +1634 O O . MET A 94 ? 0.1685 0.2675 0.2000 -0.0005 -0.0015 0.0104 84 MET A O +1635 C CB . MET A 94 ? 0.1553 0.2313 0.1825 -0.0155 0.0030 0.0110 84 MET A CB +1636 C CG . MET A 94 ? 0.1672 0.2299 0.1917 -0.0233 0.0036 0.0111 84 MET A CG +1637 S SD . MET A 94 ? 0.1783 0.2254 0.1968 -0.0206 0.0063 0.0125 84 MET A SD +1638 C CE . MET A 94 ? 0.1853 0.2467 0.2069 -0.0195 0.0099 0.0154 84 MET A CE +1648 N N . THR A 95 ? 0.1618 0.2848 0.2036 -0.0089 0.0017 0.0122 85 THR A N +1649 C CA . THR A 95 ? 0.1523 0.2886 0.1968 0.0012 0.0021 0.0127 85 THR A CA +1650 C C . THR A 95 ? 0.1751 0.2997 0.2137 0.0095 0.0048 0.0124 85 THR A C +1651 O O . THR A 95 ? 0.1760 0.2889 0.2107 0.0062 0.0069 0.0125 85 THR A O +1652 C CB . THR A 95 ? 0.1638 0.3253 0.2174 -0.0012 0.0038 0.0142 85 THR A CB +1653 O OG1 . THR A 95 ? 0.1708 0.3308 0.2241 -0.0051 0.0081 0.0157 85 THR A OG1 +1654 C CG2 . THR A 95 ? 0.1806 0.3558 0.2410 -0.0113 0.0011 0.0141 85 THR A CG2 +1662 N N . PRO A 96 ? 0.1779 0.3073 0.2163 0.0205 0.0047 0.0120 86 PRO A N +1663 C CA . PRO A 96 ? 0.2014 0.3207 0.2343 0.0280 0.0072 0.0107 86 PRO A CA +1664 C C . PRO A 96 ? 0.2158 0.3435 0.2501 0.0256 0.0113 0.0113 86 PRO A C +1665 O O . PRO A 96 ? 0.2165 0.3311 0.2446 0.0260 0.0131 0.0103 86 PRO A O +1666 C CB . PRO A 96 ? 0.2265 0.3513 0.2597 0.0403 0.0064 0.0102 86 PRO A CB +1667 C CG . PRO A 96 ? 0.2471 0.3764 0.2829 0.0393 0.0023 0.0116 86 PRO A CG +1668 C CD . PRO A 96 ? 0.2184 0.3577 0.2595 0.0271 0.0017 0.0123 86 PRO A CD +1676 N N . GLU A 97 ? 0.2005 0.3503 0.2427 0.0225 0.0129 0.0131 87 GLU A N +1677 C CA . GLU A 97 ? 0.2269 0.3860 0.2704 0.0194 0.0173 0.0145 87 GLU A CA +1678 C C . GLU A 97 ? 0.2208 0.3657 0.2604 0.0092 0.0180 0.0160 87 GLU A C +1679 O O . GLU A 97 ? 0.2261 0.3664 0.2611 0.0096 0.0210 0.0166 87 GLU A O +1680 C CB . GLU A 97 ? 0.2357 0.4229 0.2896 0.0162 0.0188 0.0169 87 GLU A CB +1681 C CG . GLU A 97 ? 0.2769 0.4763 0.3326 0.0125 0.0240 0.0194 87 GLU A CG +1682 C CD . GLU A 97 ? 0.4863 0.6867 0.5452 -0.0025 0.0250 0.0231 87 GLU A CD +1683 O OE1 . GLU A 97 ? 0.2811 0.4751 0.3423 -0.0114 0.0217 0.0232 87 GLU A OE1 +1684 O OE2 . GLU A 97 ? 0.5734 0.7807 0.6321 -0.0053 0.0295 0.0260 87 GLU A OE2 +1691 N N . GLU A 98 ? 0.1954 0.3344 0.2368 0.0002 0.0153 0.0167 88 GLU A N +1692 C CA . GLU A 98 ? 0.1981 0.3220 0.2357 -0.0084 0.0159 0.0181 88 GLU A CA +1693 C C . GLU A 98 ? 0.1852 0.2890 0.2139 -0.0032 0.0156 0.0164 88 GLU A C +1694 O O . GLU A 98 ? 0.2000 0.2965 0.2246 -0.0055 0.0177 0.0179 88 GLU A O +1695 C CB . GLU A 98 ? 0.1905 0.3086 0.2301 -0.0171 0.0126 0.0177 88 GLU A CB +1696 C CG . GLU A 98 ? 0.2110 0.3447 0.2585 -0.0266 0.0130 0.0195 88 GLU A CG +1697 C CD . GLU A 98 ? 0.2493 0.3746 0.2969 -0.0341 0.0092 0.0176 88 GLU A CD +1698 O OE1 . GLU A 98 ? 0.2253 0.3498 0.2721 -0.0300 0.0056 0.0149 88 GLU A OE1 +1699 O OE2 . GLU A 98 ? 0.2784 0.3992 0.3271 -0.0445 0.0098 0.0188 88 GLU A OE2 +1706 N N . ILE A 99 ? 0.1742 0.2694 0.2000 0.0033 0.0129 0.0137 89 ILE A N +1707 C CA . ILE A 99 ? 0.1848 0.2613 0.2031 0.0070 0.0122 0.0119 89 ILE A CA +1708 C C . ILE A 99 ? 0.1684 0.2460 0.1827 0.0132 0.0149 0.0110 89 ILE A C +1709 O O . ILE A 99 ? 0.1845 0.2522 0.1936 0.0120 0.0156 0.0110 89 ILE A O +1710 C CB . ILE A 99 ? 0.1671 0.2349 0.1836 0.0118 0.0091 0.0099 89 ILE A CB +1711 C CG1 . ILE A 99 ? 0.1687 0.2354 0.1876 0.0058 0.0064 0.0104 89 ILE A CG1 +1712 C CG2 . ILE A 99 ? 0.1808 0.2309 0.1904 0.0148 0.0086 0.0081 89 ILE A CG2 +1713 C CD1 . ILE A 99 ? 0.1745 0.2387 0.1926 0.0109 0.0036 0.0095 89 ILE A CD1 +1725 N N . VAL A 100 ? 0.1774 0.2671 0.1936 0.0205 0.0160 0.0098 90 VAL A N +1726 C CA . VAL A 100 ? 0.1880 0.2789 0.1994 0.0274 0.0186 0.0077 90 VAL A CA +1727 C C . VAL A 100 ? 0.1818 0.2801 0.1926 0.0223 0.0220 0.0105 90 VAL A C +1728 O O . VAL A 100 ? 0.1862 0.2771 0.1901 0.0240 0.0230 0.0094 90 VAL A O +1729 C CB . VAL A 100 ? 0.1871 0.2906 0.2010 0.0371 0.0195 0.0058 90 VAL A CB +1730 C CG1 . VAL A 100 ? 0.2086 0.3168 0.2178 0.0441 0.0228 0.0033 90 VAL A CG1 +1731 C CG2 . VAL A 100 ? 0.2227 0.3148 0.2350 0.0433 0.0162 0.0035 90 VAL A CG2 +1741 N N . GLU A 101 ? 0.1770 0.2902 0.1945 0.0159 0.0237 0.0143 91 GLU A N +1742 C CA . GLU A 101 ? 0.1978 0.3177 0.2143 0.0108 0.0274 0.0181 91 GLU A CA +1743 C C . GLU A 101 ? 0.1986 0.3015 0.2100 0.0044 0.0265 0.0201 91 GLU A C +1744 O O . GLU A 101 ? 0.2070 0.3085 0.2132 0.0039 0.0287 0.0221 91 GLU A O +1745 C CB . GLU A 101 ? 0.2167 0.3571 0.2423 0.0045 0.0298 0.0220 91 GLU A CB +1746 C CG . GLU A 101 ? 0.2601 0.4213 0.2904 0.0125 0.0317 0.0205 91 GLU A CG +1747 C CD . GLU A 101 ? 0.3849 0.5482 0.4081 0.0223 0.0348 0.0179 91 GLU A CD +1748 O OE1 . GLU A 101 ? 0.3003 0.4639 0.3187 0.0196 0.0378 0.0204 91 GLU A OE1 +1749 O OE2 . GLU A 101 ? 0.3807 0.5432 0.4021 0.0329 0.0338 0.0133 91 GLU A OE2 +1756 N N . ARG A 102 ? 0.1918 0.2821 0.2043 0.0001 0.0231 0.0197 92 ARG A N +1757 C CA . ARG A 102 ? 0.1963 0.2701 0.2041 -0.0044 0.0221 0.0212 92 ARG A CA +1758 C C . ARG A 102 ? 0.1899 0.2526 0.1902 0.0020 0.0210 0.0183 92 ARG A C +1759 O O . ARG A 102 ? 0.2049 0.2615 0.2001 0.0007 0.0217 0.0202 92 ARG A O +1760 C CB . ARG A 102 ? 0.2013 0.2655 0.2119 -0.0096 0.0190 0.0207 92 ARG A CB +1761 C CG . ARG A 102 ? 0.2218 0.2706 0.2286 -0.0141 0.0183 0.0224 92 ARG A CG +1762 C CD . ARG A 102 ? 0.2338 0.2836 0.2407 -0.0210 0.0210 0.0276 92 ARG A CD +1763 N NE . ARG A 102 ? 0.2361 0.2692 0.2393 -0.0238 0.0198 0.0289 92 ARG A NE +1764 C CZ . ARG A 102 ? 0.2335 0.2609 0.2353 -0.0294 0.0215 0.0336 92 ARG A CZ +1765 N NH1 . ARG A 102 ? 0.2582 0.2953 0.2625 -0.0346 0.0245 0.0380 92 ARG A NH1 +1766 N NH2 . ARG A 102 ? 0.2693 0.2808 0.2676 -0.0299 0.0199 0.0337 92 ARG A NH2 +1780 N N . ALA A 103 ? 0.1809 0.2414 0.1802 0.0087 0.0192 0.0138 93 ALA A N +1781 C CA . ALA A 103 ? 0.1763 0.2273 0.1688 0.0143 0.0181 0.0102 93 ALA A CA +1782 C C . ALA A 103 ? 0.1974 0.2568 0.1852 0.0177 0.0210 0.0102 93 ALA A C +1783 O O . ALA A 103 ? 0.1963 0.2490 0.1780 0.0180 0.0204 0.0097 93 ALA A O +1784 C CB . ALA A 103 ? 0.1963 0.2428 0.1886 0.0207 0.0160 0.0057 93 ALA A CB +1790 N N . ARG A 104 ? 0.1755 0.2508 0.1660 0.0202 0.0241 0.0108 94 ARG A N +1791 C CA . ARG A 104 ? 0.2027 0.2877 0.1882 0.0236 0.0274 0.0109 94 ARG A CA +1792 C C . ARG A 104 ? 0.2029 0.2869 0.1853 0.0173 0.0288 0.0163 94 ARG A C +1793 O O . ARG A 104 ? 0.2032 0.2864 0.1779 0.0200 0.0295 0.0157 94 ARG A O +1794 C CB . ARG A 104 ? 0.2061 0.3109 0.1969 0.0262 0.0309 0.0118 94 ARG A CB +1795 C CG . ARG A 104 ? 0.2175 0.3343 0.2028 0.0314 0.0349 0.0111 94 ARG A CG +1796 C CD . ARG A 104 ? 0.2546 0.3945 0.2461 0.0337 0.0392 0.0128 94 ARG A CD +1797 N NE . ARG A 104 ? 0.2573 0.4011 0.2554 0.0383 0.0377 0.0100 94 ARG A NE +1798 C CZ . ARG A 104 ? 0.2937 0.4320 0.2885 0.0485 0.0363 0.0037 94 ARG A CZ +1799 N NH1 . ARG A 104 ? 0.2983 0.4401 0.2994 0.0527 0.0347 0.0023 94 ARG A NH1 +1800 N NH2 . ARG A 104 ? 0.3280 0.4579 0.3131 0.0549 0.0363 -0.0013 94 ARG A NH2 +1814 N N . LEU A 105 ? 0.1918 0.2750 0.1793 0.0091 0.0291 0.0216 95 LEU A N +1815 C CA . LEU A 105 ? 0.1995 0.2792 0.1837 0.0035 0.0304 0.0275 95 LEU A CA +1816 C C . LEU A 105 ? 0.1965 0.2603 0.1745 0.0048 0.0272 0.0262 95 LEU A C +1817 O O . LEU A 105 ? 0.2117 0.2751 0.1832 0.0055 0.0280 0.0288 95 LEU A O +1818 C CB . LEU A 105 ? 0.2240 0.3033 0.2151 -0.0056 0.0310 0.0325 95 LEU A CB +1819 C CG . LEU A 105 ? 0.2591 0.3370 0.2477 -0.0118 0.0336 0.0398 95 LEU A CG +1820 C CD1 . LEU A 105 ? 0.2826 0.3780 0.2693 -0.0109 0.0385 0.0436 95 LEU A CD1 +1821 C CD2 . LEU A 105 ? 0.3401 0.4141 0.3357 -0.0211 0.0333 0.0428 95 LEU A CD2 +1833 N N . ALA A 106 ? 0.1850 0.2370 0.1648 0.0054 0.0234 0.0223 96 ALA A N +1834 C CA . ALA A 106 ? 0.1979 0.2375 0.1728 0.0068 0.0204 0.0207 96 ALA A CA +1835 C C . ALA A 106 ? 0.2040 0.2459 0.1718 0.0130 0.0198 0.0167 96 ALA A C +1836 O O . ALA A 106 ? 0.2104 0.2489 0.1726 0.0134 0.0187 0.0178 96 ALA A O +1837 C CB . ALA A 106 ? 0.1855 0.2144 0.1640 0.0066 0.0169 0.0171 96 ALA A CB +1843 N N . VAL A 107 ? 0.2034 0.2511 0.1709 0.0181 0.0204 0.0116 97 VAL A N +1844 C CA . VAL A 107 ? 0.2105 0.2599 0.1703 0.0242 0.0200 0.0066 97 VAL A CA +1845 C C . VAL A 107 ? 0.2238 0.2836 0.1778 0.0244 0.0230 0.0105 97 VAL A C +1846 O O . VAL A 107 ? 0.2344 0.2925 0.1809 0.0265 0.0215 0.0088 97 VAL A O +1847 C CB . VAL A 107 ? 0.2105 0.2632 0.1714 0.0302 0.0206 0.0009 97 VAL A CB +1848 C CG1 . VAL A 107 ? 0.2593 0.3142 0.2117 0.0368 0.0208 -0.0052 97 VAL A CG1 +1849 C CG2 . VAL A 107 ? 0.2312 0.2718 0.1963 0.0302 0.0173 -0.0023 97 VAL A CG2 +1859 N N . GLN A 108 ? 0.2219 0.2930 0.1793 0.0217 0.0271 0.0161 98 GLN A N +1860 C CA . GLN A 108 ? 0.2261 0.3080 0.1779 0.0213 0.0307 0.0211 98 GLN A CA +1861 C C . GLN A 108 ? 0.2277 0.3012 0.1758 0.0174 0.0291 0.0267 98 GLN A C +1862 O O . GLN A 108 ? 0.2585 0.3372 0.1986 0.0191 0.0302 0.0293 98 GLN A O +1863 C CB . GLN A 108 ? 0.2241 0.3198 0.1819 0.0180 0.0355 0.0263 98 GLN A CB +1864 C CG . GLN A 108 ? 0.2306 0.3386 0.1900 0.0246 0.0375 0.0208 98 GLN A CG +1865 C CD . GLN A 108 ? 0.2766 0.4011 0.2440 0.0217 0.0419 0.0250 98 GLN A CD +1866 O OE1 . GLN A 108 ? 0.2952 0.4204 0.2682 0.0133 0.0430 0.0317 98 GLN A OE1 +1867 N NE2 . GLN A 108 ? 0.2576 0.3957 0.2257 0.0288 0.0444 0.0208 98 GLN A NE2 +1876 N N . PHE A 109 ? 0.2372 0.2993 0.1907 0.0124 0.0269 0.0293 99 PHE A N +1877 C CA . PHE A 109 ? 0.2417 0.2943 0.1921 0.0100 0.0251 0.0340 99 PHE A CA +1878 C C . PHE A 109 ? 0.2646 0.3111 0.2101 0.0142 0.0206 0.0290 99 PHE A C +1879 O O . PHE A 109 ? 0.3010 0.3420 0.2435 0.0137 0.0188 0.0327 99 PHE A O +1880 C CB . PHE A 109 ? 0.2329 0.2747 0.1906 0.0042 0.0242 0.0371 99 PHE A CB +1881 C CG . PHE A 109 ? 0.2586 0.3026 0.2191 -0.0021 0.0279 0.0448 99 PHE A CG +1882 C CD1 . PHE A 109 ? 0.3282 0.3820 0.2944 -0.0053 0.0309 0.0453 99 PHE A CD1 +1883 C CD2 . PHE A 109 ? 0.3293 0.3648 0.2870 -0.0051 0.0282 0.0519 99 PHE A CD2 +1884 C CE1 . PHE A 109 ? 0.3367 0.3924 0.3062 -0.0127 0.0342 0.0524 99 PHE A CE1 +1885 C CE2 . PHE A 109 ? 0.3806 0.4155 0.3408 -0.0119 0.0316 0.0592 99 PHE A CE2 +1886 C CZ . PHE A 109 ? 0.2997 0.3449 0.2660 -0.0163 0.0345 0.0593 99 PHE A CZ +1896 N N . GLY A 110 ? 0.2578 0.3047 0.2025 0.0183 0.0187 0.0207 100 GLY A N +1897 C CA . GLY A 110 ? 0.2653 0.3078 0.2050 0.0214 0.0145 0.0152 100 GLY A CA +1898 C C . GLY A 110 ? 0.2629 0.2944 0.2074 0.0206 0.0106 0.0101 100 GLY A C +1899 O O . GLY A 110 ? 0.2870 0.3152 0.2284 0.0219 0.0069 0.0059 100 GLY A O +1903 N N . ALA A 111 ? 0.2557 0.2819 0.2080 0.0179 0.0112 0.0106 101 ALA A N +1904 C CA . ALA A 111 ? 0.2397 0.2562 0.1960 0.0173 0.0080 0.0062 101 ALA A CA +1905 C C . ALA A 111 ? 0.2167 0.2323 0.1702 0.0212 0.0068 -0.0014 101 ALA A C +1906 O O . ALA A 111 ? 0.2583 0.2792 0.2112 0.0242 0.0092 -0.0032 101 ALA A O +1907 C CB . ALA A 111 ? 0.2758 0.2888 0.2396 0.0142 0.0092 0.0085 101 ALA A CB +1913 N N . LYS A 112 ? 0.2151 0.2236 0.1678 0.0209 0.0031 -0.0058 102 LYS A N +1914 C CA . LYS A 112 ? 0.2209 0.2249 0.1704 0.0238 0.0015 -0.0134 102 LYS A CA +1915 C C . LYS A 112 ? 0.2057 0.1996 0.1605 0.0228 0.0004 -0.0155 102 LYS A C +1916 O O . LYS A 112 ? 0.2186 0.2064 0.1709 0.0254 -0.0006 -0.0213 102 LYS A O +1917 C CB . LYS A 112 ? 0.2444 0.2478 0.1882 0.0238 -0.0021 -0.0179 102 LYS A CB +1918 C CG . LYS A 112 ? 0.2973 0.3121 0.2337 0.0263 -0.0007 -0.0161 102 LYS A CG +1919 C CD . LYS A 112 ? 0.3964 0.4123 0.3253 0.0273 -0.0045 -0.0223 102 LYS A CD +1920 C CE . LYS A 112 ? 0.4846 0.5127 0.4044 0.0310 -0.0027 -0.0213 102 LYS A CE +1921 N NZ . LYS A 112 ? 1.1172 1.1523 1.0382 0.0297 -0.0006 -0.0116 102 LYS A NZ +1935 N N . THR A 113 ? 0.1928 0.1844 0.1539 0.0193 0.0007 -0.0107 103 THR A N +1936 C CA . THR A 113 ? 0.1836 0.1678 0.1496 0.0184 0.0003 -0.0110 103 THR A CA +1937 C C . THR A 113 ? 0.1757 0.1643 0.1466 0.0169 0.0027 -0.0057 103 THR A C +1938 O O . THR A 113 ? 0.1865 0.1785 0.1586 0.0142 0.0035 -0.0015 103 THR A O +1939 C CB . THR A 113 ? 0.1840 0.1609 0.1526 0.0144 -0.0024 -0.0112 103 THR A CB +1940 O OG1 . THR A 113 ? 0.2077 0.1807 0.1725 0.0143 -0.0052 -0.0164 103 THR A OG1 +1941 C CG2 . THR A 113 ? 0.2060 0.1758 0.1789 0.0134 -0.0025 -0.0106 103 THR A CG2 +1949 N N . ILE A 114 ? 0.1785 0.1666 0.1521 0.0187 0.0037 -0.0061 104 ILE A N +1950 C CA . ILE A 114 ? 0.1823 0.1738 0.1610 0.0166 0.0050 -0.0022 104 ILE A CA +1951 C C . ILE A 114 ? 0.1739 0.1570 0.1553 0.0151 0.0033 -0.0022 104 ILE A C +1952 O O . ILE A 114 ? 0.1847 0.1617 0.1650 0.0178 0.0022 -0.0050 104 ILE A O +1953 C CB . ILE A 114 ? 0.1864 0.1868 0.1665 0.0201 0.0072 -0.0021 104 ILE A CB +1954 C CG1 . ILE A 114 ? 0.2172 0.2273 0.1941 0.0219 0.0095 -0.0019 104 ILE A CG1 +1955 C CG2 . ILE A 114 ? 0.1986 0.2036 0.1845 0.0170 0.0079 0.0015 104 ILE A CG2 +1956 C CD1 . ILE A 114 ? 0.2030 0.2175 0.1805 0.0171 0.0109 0.0030 104 ILE A CD1 +1968 N N . VAL A 115 ? 0.1727 0.1552 0.1573 0.0110 0.0032 0.0008 105 VAL A N +1969 C CA . VAL A 115 ? 0.1745 0.1510 0.1614 0.0093 0.0021 0.0014 105 VAL A CA +1970 C C . VAL A 115 ? 0.1748 0.1564 0.1647 0.0088 0.0029 0.0033 105 VAL A C +1971 O O . VAL A 115 ? 0.1931 0.1797 0.1846 0.0060 0.0040 0.0053 105 VAL A O +1972 C CB . VAL A 115 ? 0.1645 0.1374 0.1521 0.0058 0.0014 0.0028 105 VAL A CB +1973 C CG1 . VAL A 115 ? 0.1958 0.1639 0.1852 0.0044 0.0007 0.0033 105 VAL A CG1 +1974 C CG2 . VAL A 115 ? 0.1935 0.1644 0.1788 0.0059 0.0002 0.0011 105 VAL A CG2 +1984 N N . LEU A 116 ? 0.1678 0.1483 0.1583 0.0113 0.0023 0.0029 106 LEU A N +1985 C CA . LEU A 116 ? 0.1668 0.1534 0.1602 0.0108 0.0023 0.0045 106 LEU A CA +1986 C C . LEU A 116 ? 0.1716 0.1524 0.1650 0.0083 0.0012 0.0055 106 LEU A C +1987 O O . LEU A 116 ? 0.1769 0.1508 0.1686 0.0101 0.0004 0.0053 106 LEU A O +1988 C CB . LEU A 116 ? 0.1746 0.1656 0.1684 0.0163 0.0023 0.0040 106 LEU A CB +1989 C CG . LEU A 116 ? 0.1848 0.1825 0.1781 0.0200 0.0038 0.0025 106 LEU A CG +1990 C CD1 . LEU A 116 ? 0.2262 0.2275 0.2199 0.0269 0.0037 0.0018 106 LEU A CD1 +1991 C CD2 . LEU A 116 ? 0.2019 0.2105 0.1981 0.0162 0.0055 0.0042 106 LEU A CD2 +2003 N N . GLN A 117 ? 0.1621 0.1448 0.1568 0.0042 0.0014 0.0064 107 GLN A N +2004 C CA . GLN A 117 ? 0.1693 0.1478 0.1634 0.0022 0.0007 0.0069 107 GLN A CA +2005 C C . GLN A 117 ? 0.1640 0.1490 0.1595 0.0005 0.0002 0.0071 107 GLN A C +2006 O O . GLN A 117 ? 0.1716 0.1629 0.1692 -0.0017 0.0006 0.0070 107 GLN A O +2007 C CB . GLN A 117 ? 0.1693 0.1429 0.1629 -0.0005 0.0013 0.0067 107 GLN A CB +2008 C CG . GLN A 117 ? 0.1814 0.1512 0.1740 -0.0015 0.0011 0.0069 107 GLN A CG +2009 C CD . GLN A 117 ? 0.2000 0.1662 0.1925 -0.0030 0.0019 0.0067 107 GLN A CD +2010 O OE1 . GLN A 117 ? 0.2214 0.1872 0.2138 -0.0048 0.0024 0.0063 107 GLN A OE1 +2011 N NE2 . GLN A 117 ? 0.1916 0.1552 0.1843 -0.0024 0.0019 0.0069 107 GLN A NE2 +2020 N N . SER A 118 ? 0.1679 0.1520 0.1619 0.0009 -0.0008 0.0075 108 SER A N +2021 C CA . SER A 118 ? 0.1771 0.1680 0.1717 -0.0009 -0.0019 0.0072 108 SER A CA +2022 C C . SER A 118 ? 0.1763 0.1639 0.1676 -0.0012 -0.0025 0.0073 108 SER A C +2023 O O . SER A 118 ? 0.1795 0.1609 0.1688 0.0004 -0.0019 0.0086 108 SER A O +2024 C CB . SER A 118 ? 0.1781 0.1782 0.1745 0.0025 -0.0031 0.0081 108 SER A CB +2025 O OG . SER A 118 ? 0.1901 0.1867 0.1844 0.0076 -0.0036 0.0098 108 SER A OG +2031 N N . GLY A 119 ? 0.1743 0.1672 0.1649 -0.0036 -0.0037 0.0060 109 GLY A N +2032 C CA . GLY A 119 ? 0.1723 0.1660 0.1591 -0.0025 -0.0047 0.0066 109 GLY A CA +2033 C C . GLY A 119 ? 0.1837 0.1801 0.1698 0.0025 -0.0057 0.0099 109 GLY A C +2034 O O . GLY A 119 ? 0.1725 0.1718 0.1615 0.0054 -0.0059 0.0108 109 GLY A O +2038 N N . GLU A 120 ? 0.1816 0.1772 0.1635 0.0042 -0.0061 0.0120 110 GLU A N +2039 C CA . GLU A 120 ? 0.1779 0.1748 0.1583 0.0094 -0.0072 0.0159 110 GLU A CA +2040 C C . GLU A 120 ? 0.1899 0.1999 0.1715 0.0108 -0.0099 0.0155 110 GLU A C +2041 O O . GLU A 120 ? 0.1970 0.2132 0.1751 0.0106 -0.0116 0.0158 110 GLU A O +2042 C CB . GLU A 120 ? 0.1912 0.1831 0.1662 0.0103 -0.0064 0.0191 110 GLU A CB +2043 C CG . GLU A 120 ? 0.2037 0.1848 0.1787 0.0090 -0.0039 0.0202 110 GLU A CG +2044 C CD . GLU A 120 ? 0.2020 0.1782 0.1725 0.0102 -0.0029 0.0251 110 GLU A CD +2045 O OE1 . GLU A 120 ? 0.2146 0.1953 0.1813 0.0131 -0.0043 0.0282 110 GLU A OE1 +2046 O OE2 . GLU A 120 ? 0.2172 0.1863 0.1883 0.0079 -0.0009 0.0259 110 GLU A OE2 +2053 N N . ASP A 121 ? 0.1848 0.2004 0.1713 0.0123 -0.0103 0.0148 111 ASP A N +2054 C CA . ASP A 121 ? 0.1798 0.2105 0.1697 0.0125 -0.0128 0.0139 111 ASP A CA +2055 C C . ASP A 121 ? 0.2002 0.2358 0.1907 0.0206 -0.0139 0.0176 111 ASP A C +2056 O O . ASP A 121 ? 0.1910 0.2242 0.1842 0.0245 -0.0126 0.0180 111 ASP A O +2057 C CB . ASP A 121 ? 0.1770 0.2125 0.1726 0.0081 -0.0119 0.0109 111 ASP A CB +2058 C CG . ASP A 121 ? 0.1916 0.2445 0.1920 0.0072 -0.0143 0.0101 111 ASP A CG +2059 O OD1 . ASP A 121 ? 0.1847 0.2473 0.1843 0.0113 -0.0169 0.0119 111 ASP A OD1 +2060 O OD2 . ASP A 121 ? 0.1773 0.2357 0.1825 0.0022 -0.0136 0.0080 111 ASP A OD2 +2065 N N . PRO A 122 ? 0.1898 0.2316 0.1770 0.0243 -0.0164 0.0204 112 PRO A N +2066 C CA . PRO A 122 ? 0.1962 0.2404 0.1831 0.0334 -0.0174 0.0247 112 PRO A CA +2067 C C . PRO A 122 ? 0.2006 0.2580 0.1944 0.0370 -0.0181 0.0238 112 PRO A C +2068 O O . PRO A 122 ? 0.2053 0.2624 0.1993 0.0456 -0.0182 0.0266 112 PRO A O +2069 C CB . PRO A 122 ? 0.2090 0.2603 0.1909 0.0352 -0.0203 0.0277 112 PRO A CB +2070 C CG . PRO A 122 ? 0.2653 0.3107 0.2428 0.0281 -0.0194 0.0255 112 PRO A CG +2071 C CD . PRO A 122 ? 0.2041 0.2493 0.1866 0.0208 -0.0180 0.0198 112 PRO A CD +2079 N N . TYR A 123 ? 0.1822 0.2521 0.1817 0.0310 -0.0186 0.0200 113 TYR A N +2080 C CA . TYR A 123 ? 0.1892 0.2746 0.1960 0.0342 -0.0188 0.0196 113 TYR A CA +2081 C C . TYR A 123 ? 0.1748 0.2521 0.1824 0.0410 -0.0160 0.0204 113 TYR A C +2082 O O . TYR A 123 ? 0.1924 0.2793 0.2032 0.0489 -0.0163 0.0217 113 TYR A O +2083 C CB . TYR A 123 ? 0.1780 0.2743 0.1910 0.0248 -0.0186 0.0156 113 TYR A CB +2084 C CG . TYR A 123 ? 0.1795 0.2929 0.2004 0.0275 -0.0181 0.0157 113 TYR A CG +2085 C CD1 . TYR A 123 ? 0.2028 0.3381 0.2288 0.0299 -0.0212 0.0166 113 TYR A CD1 +2086 C CD2 . TYR A 123 ? 0.1830 0.2920 0.2062 0.0286 -0.0145 0.0150 113 TYR A CD2 +2087 C CE1 . TYR A 123 ? 0.2291 0.3823 0.2633 0.0331 -0.0204 0.0169 113 TYR A CE1 +2088 C CE2 . TYR A 123 ? 0.2082 0.3342 0.2385 0.0318 -0.0135 0.0151 113 TYR A CE2 +2089 C CZ . TYR A 123 ? 0.2017 0.3494 0.2376 0.0341 -0.0162 0.0162 113 TYR A CZ +2090 O OH . TYR A 123 ? 0.2547 0.4223 0.2985 0.0378 -0.0151 0.0166 113 TYR A OH +2100 N N . TYR A 124 ? 0.1773 0.2378 0.1821 0.0378 -0.0133 0.0189 114 TYR A N +2101 C CA . TYR A 124 ? 0.1865 0.2404 0.1920 0.0422 -0.0106 0.0179 114 TYR A CA +2102 C C . TYR A 124 ? 0.2090 0.2479 0.2092 0.0505 -0.0103 0.0202 114 TYR A C +2103 O O . TYR A 124 ? 0.2149 0.2475 0.2147 0.0555 -0.0085 0.0188 114 TYR A O +2104 C CB . TYR A 124 ? 0.1815 0.2252 0.1863 0.0348 -0.0082 0.0150 114 TYR A CB +2105 C CG . TYR A 124 ? 0.1595 0.2147 0.1693 0.0268 -0.0078 0.0130 114 TYR A CG +2106 C CD1 . TYR A 124 ? 0.1740 0.2293 0.1832 0.0191 -0.0090 0.0122 114 TYR A CD1 +2107 C CD2 . TYR A 124 ? 0.1772 0.2412 0.1915 0.0266 -0.0057 0.0119 114 TYR A CD2 +2108 C CE1 . TYR A 124 ? 0.1666 0.2295 0.1798 0.0114 -0.0087 0.0104 114 TYR A CE1 +2109 C CE2 . TYR A 124 ? 0.1727 0.2454 0.1912 0.0184 -0.0051 0.0108 114 TYR A CE2 +2110 C CZ . TYR A 124 ? 0.1669 0.2381 0.1848 0.0106 -0.0067 0.0101 114 TYR A CZ +2111 O OH . TYR A 124 ? 0.1848 0.2613 0.2063 0.0019 -0.0061 0.0090 114 TYR A OH +2121 N N . MET A 125 ? 0.2224 0.2545 0.2178 0.0518 -0.0120 0.0235 115 MET A N +2122 C CA . MET A 125 ? 0.2338 0.2456 0.2231 0.0553 -0.0111 0.0257 115 MET A CA +2123 C C . MET A 125 ? 0.2691 0.2802 0.2562 0.0662 -0.0124 0.0297 115 MET A C +2124 O O . MET A 125 ? 0.2643 0.2863 0.2512 0.0687 -0.0149 0.0331 115 MET A O +2125 C CB . MET A 125 ? 0.2360 0.2385 0.2207 0.0491 -0.0113 0.0276 115 MET A CB +2126 C CG . MET A 125 ? 0.2148 0.2192 0.2013 0.0394 -0.0103 0.0241 115 MET A CG +2127 S SD . MET A 125 ? 0.2332 0.2306 0.2223 0.0363 -0.0077 0.0196 115 MET A SD +2128 C CE . MET A 125 ? 0.2323 0.2316 0.2222 0.0264 -0.0072 0.0174 115 MET A CE +2138 N N . PRO A 126 ? 0.2445 0.2425 0.2293 0.0734 -0.0112 0.0296 116 PRO A N +2139 C CA . PRO A 126 ? 0.2538 0.2394 0.2381 0.0714 -0.0088 0.0251 116 PRO A CA +2140 C C . PRO A 126 ? 0.2437 0.2404 0.2324 0.0757 -0.0075 0.0210 116 PRO A C +2141 O O . PRO A 126 ? 0.2323 0.2222 0.2205 0.0728 -0.0056 0.0168 116 PRO A O +2142 C CB . PRO A 126 ? 0.2768 0.2407 0.2546 0.0775 -0.0086 0.0275 116 PRO A CB +2143 C CG . PRO A 126 ? 0.2949 0.2649 0.2720 0.0879 -0.0104 0.0322 116 PRO A CG +2144 C CD . PRO A 126 ? 0.2710 0.2614 0.2516 0.0839 -0.0123 0.0344 116 PRO A CD +2152 N N . ASP A 127 ? 0.2380 0.2512 0.2306 0.0831 -0.0083 0.0221 117 ASP A N +2153 C CA . ASP A 127 ? 0.2449 0.2653 0.2401 0.0905 -0.0065 0.0189 117 ASP A CA +2154 C C . ASP A 127 ? 0.2283 0.2639 0.2292 0.0835 -0.0047 0.0152 117 ASP A C +2155 O O . ASP A 127 ? 0.2460 0.2821 0.2471 0.0865 -0.0023 0.0115 117 ASP A O +2156 C CB . ASP A 127 ? 0.2904 0.3257 0.2887 0.1019 -0.0079 0.0217 117 ASP A CB +2157 C CG . ASP A 127 ? 0.3401 0.3584 0.3319 0.1112 -0.0092 0.0258 117 ASP A CG +2158 O OD1 . ASP A 127 ? 0.3420 0.3356 0.3271 0.1110 -0.0083 0.0251 117 ASP A OD1 +2159 O OD2 . ASP A 127 ? 0.4183 0.4478 0.4116 0.1189 -0.0114 0.0302 117 ASP A OD2 +2164 N N . VAL A 128 ? 0.2224 0.2703 0.2274 0.0742 -0.0057 0.0161 118 VAL A N +2165 C CA . VAL A 128 ? 0.2125 0.2729 0.2225 0.0671 -0.0038 0.0134 118 VAL A CA +2166 C C . VAL A 128 ? 0.2195 0.2634 0.2252 0.0619 -0.0018 0.0105 118 VAL A C +2167 O O . VAL A 128 ? 0.2078 0.2559 0.2145 0.0617 0.0006 0.0078 118 VAL A O +2168 C CB . VAL A 128 ? 0.2205 0.2949 0.2353 0.0578 -0.0055 0.0146 118 VAL A CB +2169 C CG1 . VAL A 128 ? 0.2281 0.3153 0.2483 0.0510 -0.0034 0.0127 118 VAL A CG1 +2170 C CG2 . VAL A 128 ? 0.2405 0.3319 0.2591 0.0625 -0.0084 0.0174 118 VAL A CG2 +2180 N N . ILE A 129 ? 0.1941 0.2204 0.1948 0.0579 -0.0028 0.0112 119 ILE A N +2181 C CA . ILE A 129 ? 0.2036 0.2149 0.2004 0.0536 -0.0015 0.0085 119 ILE A CA +2182 C C . ILE A 129 ? 0.2023 0.2056 0.1957 0.0611 -0.0001 0.0054 119 ILE A C +2183 O O . ILE A 129 ? 0.2015 0.2046 0.1940 0.0593 0.0016 0.0022 119 ILE A O +2184 C CB . ILE A 129 ? 0.2096 0.2047 0.2022 0.0493 -0.0028 0.0102 119 ILE A CB +2185 C CG1 . ILE A 129 ? 0.2161 0.2179 0.2107 0.0421 -0.0039 0.0123 119 ILE A CG1 +2186 C CG2 . ILE A 129 ? 0.1993 0.1801 0.1884 0.0456 -0.0018 0.0074 119 ILE A CG2 +2187 C CD1 . ILE A 129 ? 0.2289 0.2391 0.2270 0.0347 -0.0029 0.0105 119 ILE A CD1 +2199 N N . SER A 130 ? 0.2107 0.2072 0.2014 0.0702 -0.0008 0.0063 120 SER A N +2200 C CA . SER A 130 ? 0.2079 0.1946 0.1944 0.0780 0.0004 0.0024 120 SER A CA +2201 C C . SER A 130 ? 0.2318 0.2352 0.2215 0.0815 0.0028 -0.0006 120 SER A C +2202 O O . SER A 130 ? 0.2465 0.2445 0.2326 0.0823 0.0045 -0.0051 120 SER A O +2203 C CB . SER A 130 ? 0.2505 0.2283 0.2341 0.0883 -0.0006 0.0043 120 SER A CB +2204 O OG . SER A 130 ? 0.2708 0.2310 0.2504 0.0844 -0.0023 0.0074 120 SER A OG +2210 N N . ASP A 131 ? 0.2215 0.2461 0.2177 0.0831 0.0031 0.0017 121 ASP A N +2211 C CA . ASP A 131 ? 0.2583 0.3013 0.2582 0.0862 0.0059 -0.0004 121 ASP A CA +2212 C C . ASP A 131 ? 0.2327 0.2785 0.2328 0.0766 0.0076 -0.0019 121 ASP A C +2213 O O . ASP A 131 ? 0.2391 0.2884 0.2372 0.0793 0.0103 -0.0052 121 ASP A O +2214 C CB . ASP A 131 ? 0.2983 0.3662 0.3068 0.0872 0.0055 0.0031 121 ASP A CB +2215 C CG . ASP A 131 ? 0.6675 0.7385 0.6769 0.0987 0.0039 0.0051 121 ASP A CG +2216 O OD1 . ASP A 131 ? 0.4129 0.4699 0.4167 0.1086 0.0044 0.0032 121 ASP A OD1 +2217 O OD2 . ASP A 131 ? 0.4908 0.5789 0.5064 0.0977 0.0021 0.0087 121 ASP A OD2 +2222 N N . ILE A 132 ? 0.1949 0.2395 0.1968 0.0661 0.0063 0.0005 122 ILE A N +2223 C CA . ILE A 132 ? 0.2136 0.2590 0.2153 0.0573 0.0078 -0.0002 122 ILE A CA +2224 C C . ILE A 132 ? 0.2065 0.2353 0.2009 0.0580 0.0082 -0.0039 122 ILE A C +2225 O O . ILE A 132 ? 0.2119 0.2447 0.2045 0.0569 0.0103 -0.0058 122 ILE A O +2226 C CB . ILE A 132 ? 0.2019 0.2460 0.2061 0.0472 0.0060 0.0027 122 ILE A CB +2227 C CG1 . ILE A 132 ? 0.2129 0.2762 0.2244 0.0450 0.0057 0.0054 122 ILE A CG1 +2228 C CG2 . ILE A 132 ? 0.2042 0.2445 0.2067 0.0393 0.0072 0.0023 122 ILE A CG2 +2229 C CD1 . ILE A 132 ? 0.2189 0.2792 0.2317 0.0370 0.0031 0.0075 122 ILE A CD1 +2241 N N . VAL A 133 ? 0.2019 0.2123 0.1920 0.0588 0.0060 -0.0047 123 VAL A N +2242 C CA . VAL A 133 ? 0.2138 0.2082 0.1974 0.0585 0.0058 -0.0087 123 VAL A CA +2243 C C . VAL A 133 ? 0.2336 0.2293 0.2133 0.0669 0.0076 -0.0134 123 VAL A C +2244 O O . VAL A 133 ? 0.2324 0.2262 0.2079 0.0652 0.0084 -0.0169 123 VAL A O +2245 C CB . VAL A 133 ? 0.2276 0.2031 0.2081 0.0580 0.0033 -0.0082 123 VAL A CB +2246 C CG1 . VAL A 133 ? 0.2355 0.1952 0.2097 0.0581 0.0028 -0.0130 123 VAL A CG1 +2247 C CG2 . VAL A 133 ? 0.2211 0.1954 0.2043 0.0495 0.0020 -0.0043 123 VAL A CG2 +2257 N N . LYS A 134 ? 0.2257 0.2252 0.2060 0.0764 0.0082 -0.0138 124 LYS A N +2258 C CA . LYS A 134 ? 0.2427 0.2436 0.2188 0.0858 0.0103 -0.0190 124 LYS A CA +2259 C C . LYS A 134 ? 0.2378 0.2576 0.2157 0.0840 0.0134 -0.0196 124 LYS A C +2260 O O . LYS A 134 ? 0.2584 0.2761 0.2302 0.0866 0.0148 -0.0246 124 LYS A O +2261 C CB . LYS A 134 ? 0.2720 0.2770 0.2500 0.0971 0.0106 -0.0182 124 LYS A CB +2262 C CG . LYS A 134 ? 0.3252 0.3073 0.2984 0.1017 0.0082 -0.0187 124 LYS A CG +2263 C CD . LYS A 134 ? 0.4381 0.4244 0.4129 0.1142 0.0084 -0.0170 124 LYS A CD +2264 C CE . LYS A 134 ? 0.6911 0.6534 0.6613 0.1171 0.0058 -0.0152 124 LYS A CE +2265 N NZ . LYS A 134 ? 0.8757 0.8425 0.8478 0.1290 0.0054 -0.0117 124 LYS A NZ +2279 N N . GLU A 135 ? 0.2296 0.2675 0.2150 0.0790 0.0143 -0.0146 125 GLU A N +2280 C CA . GLU A 135 ? 0.2360 0.2919 0.2232 0.0764 0.0176 -0.0140 125 GLU A CA +2281 C C . GLU A 135 ? 0.2079 0.2560 0.1904 0.0685 0.0174 -0.0148 125 GLU A C +2282 O O . GLU A 135 ? 0.2304 0.2851 0.2090 0.0698 0.0199 -0.0169 125 GLU A O +2283 C CB . GLU A 135 ? 0.2480 0.3237 0.2447 0.0712 0.0185 -0.0084 125 GLU A CB +2284 C CG . GLU A 135 ? 0.2643 0.3547 0.2666 0.0797 0.0191 -0.0076 125 GLU A CG +2285 C CD . GLU A 135 ? 0.5536 0.6534 0.5533 0.0901 0.0227 -0.0115 125 GLU A CD +2286 O OE1 . GLU A 135 ? 0.3632 0.4753 0.3627 0.0874 0.0260 -0.0114 125 GLU A OE1 +2287 O OE2 . GLU A 135 ? 0.4367 0.5295 0.4332 0.1011 0.0223 -0.0147 125 GLU A OE2 +2294 N N . ILE A 136 ? 0.2078 0.2432 0.1902 0.0607 0.0146 -0.0130 126 ILE A N +2295 C CA . ILE A 136 ? 0.2102 0.2401 0.1888 0.0539 0.0143 -0.0131 126 ILE A CA +2296 C C . ILE A 136 ? 0.2128 0.2302 0.1830 0.0579 0.0134 -0.0193 126 ILE A C +2297 O O . ILE A 136 ? 0.2202 0.2401 0.1857 0.0563 0.0142 -0.0209 126 ILE A O +2298 C CB . ILE A 136 ? 0.2099 0.2318 0.1915 0.0452 0.0118 -0.0095 126 ILE A CB +2299 C CG1 . ILE A 136 ? 0.2090 0.2440 0.1980 0.0408 0.0128 -0.0045 126 ILE A CG1 +2300 C CG2 . ILE A 136 ? 0.2144 0.2304 0.1920 0.0398 0.0112 -0.0099 126 ILE A CG2 +2301 C CD1 . ILE A 136 ? 0.2052 0.2324 0.1968 0.0334 0.0104 -0.0016 126 ILE A CD1 +2313 N N . LYS A 137 ? 0.2240 0.2280 0.1914 0.0633 0.0116 -0.0230 127 LYS A N +2314 C CA . LYS A 137 ? 0.2318 0.2225 0.1909 0.0664 0.0105 -0.0297 127 LYS A CA +2315 C C . LYS A 137 ? 0.2394 0.2401 0.1935 0.0737 0.0134 -0.0342 127 LYS A C +2316 O O . LYS A 137 ? 0.2633 0.2583 0.2099 0.0736 0.0127 -0.0395 127 LYS A O +2317 C CB . LYS A 137 ? 0.2495 0.2219 0.2066 0.0706 0.0082 -0.0323 127 LYS A CB +2318 C CG . LYS A 137 ? 0.2468 0.2065 0.2065 0.0624 0.0052 -0.0289 127 LYS A CG +2319 C CD . LYS A 137 ? 0.2715 0.2249 0.2282 0.0546 0.0032 -0.0308 127 LYS A CD +2320 C CE . LYS A 137 ? 0.3018 0.2411 0.2510 0.0574 0.0017 -0.0383 127 LYS A CE +2321 N NZ . LYS A 137 ? 0.3130 0.2494 0.2598 0.0499 -0.0006 -0.0404 127 LYS A NZ +2335 N N . LYS A 138 ? 0.2253 0.2427 0.1833 0.0791 0.0167 -0.0322 128 LYS A N +2336 C CA . LYS A 138 ? 0.2306 0.2611 0.1842 0.0858 0.0203 -0.0358 128 LYS A CA +2337 C C . LYS A 138 ? 0.2255 0.2660 0.1767 0.0793 0.0217 -0.0339 128 LYS A C +2338 O O . LYS A 138 ? 0.2336 0.2823 0.1784 0.0840 0.0242 -0.0376 128 LYS A O +2339 C CB . LYS A 138 ? 0.2439 0.2938 0.2044 0.0922 0.0237 -0.0328 128 LYS A CB +2340 C CG . LYS A 138 ? 0.2581 0.2998 0.2199 0.1013 0.0226 -0.0347 128 LYS A CG +2341 C CD . LYS A 138 ? 0.3011 0.3650 0.2706 0.1077 0.0257 -0.0315 128 LYS A CD +2342 C CE . LYS A 138 ? 0.3654 0.4210 0.3364 0.1172 0.0241 -0.0323 128 LYS A CE +2343 N NZ . LYS A 138 ? 0.4802 0.5598 0.4603 0.1226 0.0264 -0.0282 128 LYS A NZ +2357 N N . MET A 139 ? 0.2291 0.2691 0.1842 0.0694 0.0202 -0.0283 129 MET A N +2358 C CA . MET A 139 ? 0.2273 0.2758 0.1803 0.0634 0.0214 -0.0250 129 MET A CA +2359 C C . MET A 139 ? 0.2666 0.3030 0.2112 0.0616 0.0185 -0.0296 129 MET A C +2360 O O . MET A 139 ? 0.2890 0.3316 0.2306 0.0575 0.0190 -0.0269 129 MET A O +2361 C CB . MET A 139 ? 0.2306 0.2825 0.1915 0.0543 0.0211 -0.0171 129 MET A CB +2362 C CG . MET A 139 ? 0.2237 0.2887 0.1935 0.0545 0.0234 -0.0128 129 MET A CG +2363 S SD . MET A 139 ? 0.2263 0.2911 0.2040 0.0433 0.0222 -0.0052 129 MET A SD +2364 C CE . MET A 139 ? 0.2583 0.3386 0.2455 0.0456 0.0239 -0.0029 129 MET A CE +2374 N N . GLY A 140 ? 0.2102 0.2586 0.1718 0.0556 0.0151 -0.0131 130 GLY A N +2375 C CA . GLY A 140 ? 0.2399 0.2869 0.1936 0.0539 0.0131 -0.0174 130 GLY A CA +2376 C C . GLY A 140 ? 0.2389 0.2832 0.1949 0.0474 0.0106 -0.0150 130 GLY A C +2377 O O . GLY A 140 ? 0.2563 0.3073 0.2076 0.0460 0.0092 -0.0165 130 GLY A O +2381 N N . VAL A 141 ? 0.2071 0.2435 0.1698 0.0437 0.0098 -0.0117 131 VAL A N +2382 C CA . VAL A 141 ? 0.2053 0.2393 0.1709 0.0385 0.0080 -0.0085 131 VAL A CA +2383 C C . VAL A 141 ? 0.1994 0.2191 0.1650 0.0345 0.0051 -0.0125 131 VAL A C +2384 O O . VAL A 141 ? 0.2277 0.2381 0.1918 0.0365 0.0050 -0.0158 131 VAL A O +2385 C CB . VAL A 141 ? 0.2060 0.2434 0.1790 0.0375 0.0111 0.0001 131 VAL A CB +2386 C CG1 . VAL A 141 ? 0.2394 0.2892 0.2109 0.0411 0.0151 0.0052 131 VAL A CG1 +2387 C CG2 . VAL A 141 ? 0.2303 0.2628 0.2094 0.0366 0.0120 0.0007 131 VAL A CG2 +2397 N N . ALA A 142 ? 0.1888 0.2075 0.1558 0.0299 0.0032 -0.0112 132 ALA A N +2398 C CA . ALA A 142 ? 0.1923 0.1984 0.1601 0.0255 0.0012 -0.0131 132 ALA A CA +2399 C C . ALA A 142 ? 0.1901 0.1926 0.1649 0.0255 0.0022 -0.0078 132 ALA A C +2400 O O . ALA A 142 ? 0.1811 0.1902 0.1604 0.0263 0.0044 -0.0025 132 ALA A O +2401 C CB . ALA A 142 ? 0.1992 0.2094 0.1666 0.0204 -0.0009 -0.0137 132 ALA A CB +2407 N N . VAL A 143 ? 0.1904 0.1816 0.1651 0.0243 0.0010 -0.0095 133 VAL A N +2408 C CA . VAL A 143 ? 0.1868 0.1758 0.1671 0.0237 0.0012 -0.0058 133 VAL A CA +2409 C C . VAL A 143 ? 0.1952 0.1763 0.1753 0.0193 -0.0005 -0.0057 133 VAL A C +2410 O O . VAL A 143 ? 0.2030 0.1745 0.1782 0.0180 -0.0015 -0.0091 133 VAL A O +2411 C CB . VAL A 143 ? 0.1999 0.1871 0.1804 0.0282 0.0016 -0.0067 133 VAL A CB +2412 C CG1 . VAL A 143 ? 0.2191 0.2059 0.2045 0.0268 0.0010 -0.0041 133 VAL A CG1 +2413 C CG2 . VAL A 143 ? 0.2157 0.2146 0.1983 0.0320 0.0038 -0.0059 133 VAL A CG2 +2423 N N . THR A 144 ? 0.1717 0.1553 0.1564 0.0171 -0.0000 -0.0018 134 THR A N +2424 C CA . THR A 144 ? 0.1730 0.1512 0.1584 0.0138 -0.0011 -0.0008 134 THR A CA +2425 C C . THR A 144 ? 0.1784 0.1546 0.1670 0.0141 -0.0007 0.0008 134 THR A C +2426 O O . THR A 144 ? 0.1898 0.1712 0.1822 0.0142 0.0011 0.0025 134 THR A O +2427 C CB . THR A 144 ? 0.1752 0.1591 0.1622 0.0121 -0.0004 0.0021 134 THR A CB +2428 O OG1 . THR A 144 ? 0.1914 0.1815 0.1752 0.0115 -0.0014 -0.0002 134 THR A OG1 +2429 C CG2 . THR A 144 ? 0.1874 0.1675 0.1752 0.0092 -0.0010 0.0033 134 THR A CG2 +2437 N N . LEU A 145 ? 0.1839 0.1532 0.1707 0.0138 -0.0021 0.0002 135 LEU A N +2438 C CA . LEU A 145 ? 0.1715 0.1415 0.1606 0.0141 -0.0024 0.0014 135 LEU A CA +2439 C C . LEU A 145 ? 0.1752 0.1426 0.1648 0.0106 -0.0023 0.0029 135 LEU A C +2440 O O . LEU A 145 ? 0.1806 0.1440 0.1679 0.0087 -0.0027 0.0032 135 LEU A O +2441 C CB . LEU A 145 ? 0.1923 0.1580 0.1778 0.0183 -0.0035 0.0008 135 LEU A CB +2442 C CG . LEU A 145 ? 0.1907 0.1593 0.1749 0.0238 -0.0030 -0.0006 135 LEU A CG +2443 C CD1 . LEU A 145 ? 0.2166 0.1795 0.1957 0.0302 -0.0033 0.0001 135 LEU A CD1 +2444 C CD2 . LEU A 145 ? 0.1990 0.1815 0.1895 0.0237 -0.0024 -0.0005 135 LEU A CD2 +2456 N N . SER A 146 ? 0.1679 0.1383 0.1603 0.0094 -0.0016 0.0034 136 SER A N +2457 C CA . SER A 146 ? 0.1753 0.1431 0.1673 0.0072 -0.0010 0.0044 136 SER A CA +2458 C C . SER A 146 ? 0.1671 0.1380 0.1599 0.0065 -0.0014 0.0029 136 SER A C +2459 O O . SER A 146 ? 0.1678 0.1405 0.1626 0.0037 0.0006 0.0015 136 SER A O +2460 C CB . SER A 146 ? 0.1724 0.1404 0.1657 0.0061 0.0019 0.0060 136 SER A CB +2461 O OG . SER A 146 ? 0.1794 0.1449 0.1717 0.0054 0.0031 0.0073 136 SER A OG +2467 N N . LEU A 147 ? 0.1680 0.1395 0.1584 0.0092 -0.0037 0.0030 137 LEU A N +2468 C CA . LEU A 147 ? 0.1712 0.1508 0.1620 0.0100 -0.0050 0.0014 137 LEU A CA +2469 C C . LEU A 147 ? 0.1788 0.1568 0.1658 0.0107 -0.0059 0.0025 137 LEU A C +2470 O O . LEU A 147 ? 0.1873 0.1744 0.1739 0.0119 -0.0074 0.0011 137 LEU A O +2471 C CB . LEU A 147 ? 0.1731 0.1589 0.1636 0.0156 -0.0066 0.0016 137 LEU A CB +2472 C CG . LEU A 147 ? 0.1609 0.1484 0.1541 0.0164 -0.0055 0.0009 137 LEU A CG +2473 C CD1 . LEU A 147 ? 0.1860 0.1796 0.1778 0.0235 -0.0066 0.0014 137 LEU A CD1 +2474 C CD2 . LEU A 147 ? 0.1973 0.1914 0.1960 0.0106 -0.0035 -0.0012 137 LEU A CD2 +2486 N N . GLY A 148 ? 0.1813 0.1508 0.1657 0.0099 -0.0050 0.0048 138 GLY A N +2487 C CA . GLY A 148 ? 0.1822 0.1506 0.1626 0.0106 -0.0053 0.0065 138 GLY A CA +2488 C C . GLY A 148 ? 0.1885 0.1512 0.1636 0.0148 -0.0057 0.0102 138 GLY A C +2489 O O . GLY A 148 ? 0.1991 0.1543 0.1729 0.0160 -0.0051 0.0113 138 GLY A O +2493 N N . GLU A 149 ? 0.1908 0.1558 0.1618 0.0171 -0.0060 0.0123 139 GLU A N +2494 C CA . GLU A 149 ? 0.1992 0.1561 0.1632 0.0214 -0.0049 0.0174 139 GLU A CA +2495 C C . GLU A 149 ? 0.2182 0.1805 0.1788 0.0297 -0.0062 0.0191 139 GLU A C +2496 O O . GLU A 149 ? 0.2246 0.2018 0.1858 0.0322 -0.0083 0.0177 139 GLU A O +2497 C CB . GLU A 149 ? 0.2035 0.1618 0.1640 0.0205 -0.0039 0.0197 139 GLU A CB +2498 C CG . GLU A 149 ? 0.2239 0.1792 0.1874 0.0141 -0.0022 0.0189 139 GLU A CG +2499 C CD . GLU A 149 ? 0.2078 0.1673 0.1686 0.0135 -0.0011 0.0203 139 GLU A CD +2500 O OE1 . GLU A 149 ? 0.2343 0.1948 0.1891 0.0176 -0.0009 0.0238 139 GLU A OE1 +2501 O OE2 . GLU A 149 ? 0.2189 0.1807 0.1828 0.0100 -0.0000 0.0185 139 GLU A OE2 +2508 N N . TRP A 150 ? 0.2374 0.1885 0.1938 0.0343 -0.0045 0.0218 140 TRP A N +2509 C CA . TRP A 150 ? 0.2253 0.1806 0.1776 0.0447 -0.0048 0.0244 140 TRP A CA +2510 C C . TRP A 150 ? 0.2533 0.1880 0.1953 0.0503 -0.0006 0.0305 140 TRP A C +2511 O O . TRP A 150 ? 0.2961 0.2138 0.2360 0.0438 0.0023 0.0306 140 TRP A O +2512 C CB . TRP A 150 ? 0.2350 0.1981 0.1931 0.0458 -0.0063 0.0203 140 TRP A CB +2513 C CG . TRP A 150 ? 0.2175 0.1992 0.1846 0.0397 -0.0092 0.0149 140 TRP A CG +2514 C CD1 . TRP A 150 ? 0.1940 0.1742 0.1672 0.0308 -0.0091 0.0108 140 TRP A CD1 +2515 C CD2 . TRP A 150 ? 0.2034 0.2065 0.1731 0.0413 -0.0119 0.0129 140 TRP A CD2 +2516 N NE1 . TRP A 150 ? 0.1998 0.1950 0.1785 0.0265 -0.0106 0.0066 140 TRP A NE1 +2517 C CE2 . TRP A 150 ? 0.2071 0.2174 0.1841 0.0317 -0.0126 0.0070 140 TRP A CE2 +2518 C CE3 . TRP A 150 ? 0.2288 0.2465 0.1946 0.0501 -0.0135 0.0157 140 TRP A CE3 +2519 C CZ2 . TRP A 150 ? 0.2184 0.2484 0.1992 0.0285 -0.0146 0.0023 140 TRP A CZ2 +2520 C CZ3 . TRP A 150 ? 0.2484 0.2900 0.2188 0.0475 -0.0165 0.0111 140 TRP A CZ3 +2521 C CH2 . TRP A 150 ? 0.2280 0.2749 0.2058 0.0357 -0.0170 0.0038 140 TRP A CH2 +2532 N N . PRO A 151 ? 0.2746 0.2108 0.2100 0.0625 0.0003 0.0352 141 PRO A N +2533 C CA . PRO A 151 ? 0.3064 0.2187 0.2300 0.0690 0.0059 0.0414 141 PRO A CA +2534 C C . PRO A 151 ? 0.3133 0.2055 0.2353 0.0654 0.0090 0.0382 141 PRO A C +2535 O O . PRO A 151 ? 0.2994 0.1992 0.2280 0.0635 0.0066 0.0326 141 PRO A O +2536 C CB . PRO A 151 ? 0.3398 0.2624 0.2574 0.0853 0.0060 0.0469 141 PRO A CB +2537 C CG . PRO A 151 ? 0.3186 0.2730 0.2442 0.0846 -0.0000 0.0442 141 PRO A CG +2538 C CD . PRO A 151 ? 0.2624 0.2233 0.1999 0.0710 -0.0032 0.0354 141 PRO A CD +2546 N N . ARG A 152 ? 0.3344 0.2000 0.2463 0.0646 0.0150 0.0417 142 ARG A N +2547 C CA A ARG A 152 ? 0.3870 0.2309 0.2950 0.0607 0.0188 0.0377 142 ARG A CA +2548 C CA B ARG A 152 ? 0.3318 0.1757 0.2398 0.0607 0.0188 0.0377 142 ARG A CA +2549 C C . ARG A 152 ? 0.3195 0.1658 0.2257 0.0720 0.0187 0.0363 142 ARG A C +2550 O O . ARG A 152 ? 0.3378 0.1810 0.2468 0.0676 0.0183 0.0299 142 ARG A O +2551 C CB A ARG A 152 ? 0.5482 0.3606 0.4427 0.0599 0.0269 0.0425 142 ARG A CB +2552 C CB B ARG A 152 ? 0.3340 0.1463 0.2286 0.0598 0.0268 0.0424 142 ARG A CB +2553 C CG A ARG A 152 ? 0.4678 0.2544 0.3555 0.0555 0.0319 0.0374 142 ARG A CG +2554 C CG B ARG A 152 ? 0.4527 0.2389 0.3396 0.0576 0.0321 0.0378 142 ARG A CG +2555 C CD A ARG A 152 ? 0.5545 0.3067 0.4274 0.0543 0.0413 0.0421 142 ARG A CD +2556 C CD B ARG A 152 ? 0.5693 0.3210 0.4416 0.0559 0.0415 0.0423 142 ARG A CD +2557 N NE A ARG A 152 ? 0.8278 0.5557 0.6946 0.0467 0.0461 0.0348 142 ARG A NE +2558 N NE B ARG A 152 ? 0.6409 0.3757 0.5125 0.0392 0.0445 0.0343 142 ARG A NE +2559 C CZ A ARG A 152 ? 0.7251 0.4436 0.5934 0.0288 0.0479 0.0284 142 ARG A CZ +2560 C CZ B ARG A 152 ? 0.8445 0.5605 0.7098 0.0377 0.0480 0.0277 142 ARG A CZ +2561 N NH1 A ARG A 152 ? 1.2631 0.9612 1.1249 0.0224 0.0520 0.0205 142 ARG A NH1 +2562 N NH1 B ARG A 152 ? 1.1831 0.8882 1.0484 0.0207 0.0501 0.0196 142 ARG A NH1 +2563 N NH2 A ARG A 152 ? 0.5626 0.2935 0.4384 0.0174 0.0459 0.0295 142 ARG A NH2 +2564 N NH2 B ARG A 152 ? 0.6744 0.3842 0.5330 0.0531 0.0496 0.0287 142 ARG A NH2 +2591 N N . GLU A 153 ? 0.3328 0.1865 0.2340 0.0874 0.0192 0.0426 143 GLU A N +2592 C CA . GLU A 153 ? 0.3461 0.2054 0.2458 0.0996 0.0194 0.0419 143 GLU A CA +2593 C C . GLU A 153 ? 0.3005 0.1848 0.2141 0.0938 0.0133 0.0345 143 GLU A C +2594 O O . GLU A 153 ? 0.3280 0.2108 0.2412 0.0982 0.0143 0.0312 143 GLU A O +2595 C CB . GLU A 153 ? 0.4059 0.2781 0.2999 0.1177 0.0198 0.0504 143 GLU A CB +2596 C CG . GLU A 153 ? 1.0116 0.9058 0.9088 0.1308 0.0177 0.0500 143 GLU A CG +2597 C CD . GLU A 153 ? 1.3074 1.2189 1.1988 0.1496 0.0179 0.0589 143 GLU A CD +2598 O OE1 . GLU A 153 ? 0.7535 0.6894 0.6501 0.1482 0.0132 0.0607 143 GLU A OE1 +2599 O OE2 . GLU A 153 ? 1.1696 1.0712 1.0505 0.1665 0.0231 0.0641 143 GLU A OE2 +2606 N N . TYR A 154 ? 0.2865 0.1936 0.2112 0.0856 0.0078 0.0323 144 TYR A N +2607 C CA . TYR A 154 ? 0.2708 0.1990 0.2079 0.0791 0.0032 0.0259 144 TYR A CA +2608 C C . TYR A 154 ? 0.2668 0.1810 0.2058 0.0684 0.0042 0.0203 144 TYR A C +2609 O O . TYR A 154 ? 0.2691 0.1884 0.2113 0.0690 0.0038 0.0164 144 TYR A O +2610 C CB . TYR A 154 ? 0.2584 0.2090 0.2050 0.0719 -0.0015 0.0244 144 TYR A CB +2611 C CG . TYR A 154 ? 0.2550 0.2291 0.2020 0.0811 -0.0040 0.0277 144 TYR A CG +2612 C CD1 . TYR A 154 ? 0.2923 0.2653 0.2303 0.0963 -0.0017 0.0341 144 TYR A CD1 +2613 C CD2 . TYR A 154 ? 0.2556 0.2518 0.2112 0.0739 -0.0081 0.0241 144 TYR A CD2 +2614 C CE1 . TYR A 154 ? 0.3058 0.3049 0.2444 0.1048 -0.0045 0.0371 144 TYR A CE1 +2615 C CE2 . TYR A 154 ? 0.2653 0.2859 0.2215 0.0802 -0.0108 0.0255 144 TYR A CE2 +2616 C CZ . TYR A 154 ? 0.2899 0.3135 0.2382 0.0954 -0.0094 0.0320 144 TYR A CZ +2617 O OH . TYR A 154 ? 0.3280 0.3803 0.2764 0.1030 -0.0125 0.0339 144 TYR A OH +2627 N N . TYR A 155 ? 0.2634 0.1631 0.2006 0.0587 0.0055 0.0198 145 TYR A N +2628 C CA . TYR A 155 ? 0.2700 0.1603 0.2088 0.0485 0.0062 0.0143 145 TYR A CA +2629 C C . TYR A 155 ? 0.2972 0.1698 0.2274 0.0533 0.0101 0.0119 145 TYR A C +2630 O O . TYR A 155 ? 0.2903 0.1652 0.2234 0.0491 0.0094 0.0064 145 TYR A O +2631 C CB . TYR A 155 ? 0.2815 0.1610 0.2189 0.0382 0.0075 0.0148 145 TYR A CB +2632 C CG . TYR A 155 ? 0.2538 0.1491 0.1990 0.0328 0.0042 0.0160 145 TYR A CG +2633 C CD1 . TYR A 155 ? 0.2509 0.1665 0.2054 0.0319 0.0003 0.0140 145 TYR A CD1 +2634 C CD2 . TYR A 155 ? 0.2704 0.1582 0.2128 0.0277 0.0060 0.0190 145 TYR A CD2 +2635 C CE1 . TYR A 155 ? 0.2324 0.1587 0.1922 0.0272 -0.0016 0.0144 145 TYR A CE1 +2636 C CE2 . TYR A 155 ? 0.2899 0.1910 0.2383 0.0235 0.0037 0.0197 145 TYR A CE2 +2637 C CZ . TYR A 155 ? 0.2439 0.1631 0.2004 0.0234 -0.0000 0.0172 145 TYR A CZ +2638 O OH . TYR A 155 ? 0.2440 0.1729 0.2048 0.0193 -0.0013 0.0173 145 TYR A OH +2648 N N . GLU A 156 ? 0.2990 0.1533 0.2177 0.0627 0.0148 0.0162 146 GLU A N +2649 C CA A GLU A 156 ? 0.3475 0.1811 0.2556 0.0690 0.0199 0.0140 146 GLU A CA +2650 C CA B GLU A 156 ? 0.3317 0.1654 0.2400 0.0686 0.0198 0.0137 146 GLU A CA +2651 C C . GLU A 156 ? 0.3123 0.1631 0.2245 0.0783 0.0179 0.0120 146 GLU A C +2652 O O . GLU A 156 ? 0.3290 0.1743 0.2393 0.0768 0.0191 0.0061 146 GLU A O +2653 C CB A GLU A 156 ? 0.4619 0.2726 0.3559 0.0803 0.0263 0.0210 146 GLU A CB +2654 C CB B GLU A 156 ? 0.3550 0.1638 0.2489 0.0785 0.0265 0.0204 146 GLU A CB +2655 C CG A GLU A 156 ? 0.6431 0.4257 0.5282 0.0710 0.0317 0.0220 146 GLU A CG +2656 C CG B GLU A 156 ? 0.6881 0.4668 0.5677 0.0841 0.0338 0.0178 146 GLU A CG +2657 C CD A GLU A 156 ? 0.7905 0.5475 0.6598 0.0835 0.0394 0.0305 146 GLU A CD +2658 C CD B GLU A 156 ? 0.5485 0.2943 0.4119 0.0899 0.0423 0.0243 146 GLU A CD +2659 O OE1 A GLU A 156 ? 0.4783 0.2475 0.3460 0.0996 0.0388 0.0381 146 GLU A OE1 +2660 O OE1 B GLU A 156 ? 0.7795 0.5311 0.6415 0.0981 0.0424 0.0334 146 GLU A OE1 +2661 O OE2 A GLU A 156 ? 0.7859 0.5110 0.6442 0.0769 0.0466 0.0297 146 GLU A OE2 +2662 O OE2 B GLU A 156 ? 0.7127 0.4266 0.5641 0.0861 0.0494 0.0201 146 GLU A OE2 +2675 N N . LYS A 157 ? 0.3126 0.1866 0.2305 0.0875 0.0149 0.0165 147 LYS A N +2676 C CA . LYS A 157 ? 0.3036 0.1984 0.2267 0.0956 0.0131 0.0151 147 LYS A CA +2677 C C . LYS A 157 ? 0.2859 0.1945 0.2197 0.0841 0.0096 0.0086 147 LYS A C +2678 O O . LYS A 157 ? 0.2930 0.2059 0.2272 0.0874 0.0105 0.0051 147 LYS A O +2679 C CB . LYS A 157 ? 0.2820 0.2043 0.2112 0.1039 0.0099 0.0201 147 LYS A CB +2680 C CG . LYS A 157 ? 0.3322 0.2478 0.2502 0.1215 0.0137 0.0274 147 LYS A CG +2681 C CD . LYS A 157 ? 0.3495 0.2942 0.2729 0.1278 0.0098 0.0324 147 LYS A CD +2682 C CE . LYS A 157 ? 0.5411 0.4810 0.4518 0.1488 0.0142 0.0411 147 LYS A CE +2683 N NZ . LYS A 157 ? 1.2269 1.1977 1.1419 0.1549 0.0101 0.0460 147 LYS A NZ +2697 N N . TRP A 158 ? 0.2547 0.1700 0.1965 0.0714 0.0063 0.0073 148 TRP A N +2698 C CA . TRP A 158 ? 0.2464 0.1745 0.1973 0.0622 0.0038 0.0028 148 TRP A CA +2699 C C . TRP A 158 ? 0.2640 0.1760 0.2095 0.0569 0.0058 -0.0023 148 TRP A C +2700 O O . TRP A 158 ? 0.2650 0.1864 0.2142 0.0550 0.0051 -0.0057 148 TRP A O +2701 C CB . TRP A 158 ? 0.2411 0.1793 0.2003 0.0522 0.0006 0.0035 148 TRP A CB +2702 C CG . TRP A 158 ? 0.2317 0.1880 0.1962 0.0556 -0.0017 0.0066 148 TRP A CG +2703 C CD1 . TRP A 158 ? 0.2297 0.2022 0.1960 0.0647 -0.0021 0.0079 148 TRP A CD1 +2704 C CD2 . TRP A 158 ? 0.2219 0.1833 0.1898 0.0503 -0.0036 0.0081 148 TRP A CD2 +2705 N NE1 . TRP A 158 ? 0.2270 0.2162 0.1979 0.0643 -0.0046 0.0095 148 TRP A NE1 +2706 C CE2 . TRP A 158 ? 0.2196 0.2014 0.1913 0.0553 -0.0055 0.0093 148 TRP A CE2 +2707 C CE3 . TRP A 158 ? 0.2172 0.1710 0.1857 0.0416 -0.0040 0.0080 148 TRP A CE3 +2708 C CZ2 . TRP A 158 ? 0.2187 0.2104 0.1934 0.0516 -0.0076 0.0099 148 TRP A CZ2 +2709 C CZ3 . TRP A 158 ? 0.2142 0.1768 0.1854 0.0393 -0.0057 0.0094 148 TRP A CZ3 +2710 C CH2 . TRP A 158 ? 0.2159 0.1967 0.1899 0.0438 -0.0075 0.0098 148 TRP A CH2 +2721 N N . LYS A 159 ? 0.2647 0.1535 0.2010 0.0541 0.0087 -0.0030 149 LYS A N +2722 C CA . LYS A 159 ? 0.2797 0.1532 0.2095 0.0482 0.0110 -0.0093 149 LYS A CA +2723 C C . LYS A 159 ? 0.3069 0.1736 0.2291 0.0584 0.0143 -0.0122 149 LYS A C +2724 O O . LYS A 159 ? 0.3075 0.1788 0.2299 0.0558 0.0139 -0.0178 149 LYS A O +2725 C CB . LYS A 159 ? 0.3067 0.1565 0.2283 0.0414 0.0143 -0.0099 149 LYS A CB +2726 C CG . LYS A 159 ? 0.3234 0.1616 0.2398 0.0310 0.0160 -0.0182 149 LYS A CG +2727 C CD . LYS A 159 ? 0.3264 0.1853 0.2531 0.0202 0.0113 -0.0207 149 LYS A CD +2728 C CE . LYS A 159 ? 0.3676 0.2198 0.2894 0.0091 0.0124 -0.0295 149 LYS A CE +2729 N NZ . LYS A 159 ? 0.4590 0.3037 0.3727 0.0134 0.0147 -0.0361 149 LYS A NZ +2743 N N . GLU A 160 ? 0.3217 0.1800 0.2370 0.0714 0.0175 -0.0079 150 GLU A N +2744 C CA . GLU A 160 ? 0.3315 0.1843 0.2391 0.0834 0.0211 -0.0098 150 GLU A CA +2745 C C . GLU A 160 ? 0.3285 0.2105 0.2465 0.0867 0.0177 -0.0104 150 GLU A C +2746 O O . GLU A 160 ? 0.3535 0.2350 0.2675 0.0912 0.0198 -0.0148 150 GLU A O +2747 C CB . GLU A 160 ? 0.4056 0.2479 0.3046 0.0988 0.0252 -0.0031 150 GLU A CB +2748 C CG . GLU A 160 ? 0.9486 0.7581 0.8349 0.0973 0.0305 -0.0012 150 GLU A CG +2749 C CD . GLU A 160 ? 0.4101 0.1905 0.2790 0.1108 0.0388 -0.0010 150 GLU A CD +2750 O OE1 . GLU A 160 ? 1.1505 0.9250 1.0145 0.1129 0.0411 -0.0078 150 GLU A OE1 +2751 O OE2 . GLU A 160 ? 0.8943 0.6572 0.7536 0.1202 0.0436 0.0062 150 GLU A OE2 +2758 N N . ALA A 161 ? 0.3114 0.2186 0.2424 0.0835 0.0131 -0.0067 151 ALA A N +2759 C CA . ALA A 161 ? 0.2770 0.2113 0.2184 0.0838 0.0106 -0.0073 151 ALA A CA +2760 C C . ALA A 161 ? 0.2998 0.2362 0.2439 0.0737 0.0097 -0.0124 151 ALA A C +2761 O O . ALA A 161 ? 0.2887 0.2437 0.2390 0.0742 0.0091 -0.0130 151 ALA A O +2762 C CB . ALA A 161 ? 0.2856 0.2427 0.2391 0.0803 0.0068 -0.0030 151 ALA A CB +2768 N N . GLY A 162 ? 0.2755 0.1965 0.2159 0.0640 0.0094 -0.0153 152 GLY A N +2769 C CA . GLY A 162 ? 0.2820 0.2067 0.2233 0.0557 0.0084 -0.0202 152 GLY A CA +2770 C C . GLY A 162 ? 0.2719 0.2050 0.2212 0.0445 0.0052 -0.0188 152 GLY A C +2771 O O . GLY A 162 ? 0.2713 0.2108 0.2217 0.0388 0.0043 -0.0217 152 GLY A O +2775 N N . ALA A 163 ? 0.2463 0.1802 0.2004 0.0418 0.0037 -0.0144 153 ALA A N +2776 C CA . ALA A 163 ? 0.2314 0.1720 0.1918 0.0327 0.0014 -0.0131 153 ALA A CA +2777 C C . ALA A 163 ? 0.2434 0.1742 0.1986 0.0250 0.0015 -0.0175 153 ALA A C +2778 O O . ALA A 163 ? 0.2754 0.1885 0.2224 0.0241 0.0035 -0.0204 153 ALA A O +2779 C CB . ALA A 163 ? 0.2532 0.1939 0.2176 0.0318 0.0003 -0.0085 153 ALA A CB +2785 N N . ASP A 164 ? 0.2129 0.1560 0.1727 0.0194 -0.0001 -0.0179 154 ASP A N +2786 C CA . ASP A 164 ? 0.2271 0.1688 0.1836 0.0115 -0.0007 -0.0224 154 ASP A CA +2787 C C . ASP A 164 ? 0.2248 0.1674 0.1849 0.0046 -0.0018 -0.0200 154 ASP A C +2788 O O . ASP A 164 ? 0.2428 0.1789 0.1990 -0.0027 -0.0014 -0.0240 154 ASP A O +2789 C CB . ASP A 164 ? 0.2183 0.1772 0.1766 0.0111 -0.0018 -0.0239 154 ASP A CB +2790 C CG . ASP A 164 ? 0.2335 0.1934 0.1877 0.0173 -0.0004 -0.0268 154 ASP A CG +2791 O OD1 . ASP A 164 ? 0.2805 0.2304 0.2261 0.0159 0.0007 -0.0338 154 ASP A OD1 +2792 O OD2 . ASP A 164 ? 0.2217 0.1907 0.1805 0.0230 0.0002 -0.0224 154 ASP A OD2 +2797 N N . ARG A 165 ? 0.2145 0.1659 0.1818 0.0061 -0.0027 -0.0142 155 ARG A N +2798 C CA . ARG A 165 ? 0.1932 0.1490 0.1644 0.0011 -0.0035 -0.0115 155 ARG A CA +2799 C C . ARG A 165 ? 0.1985 0.1514 0.1731 0.0040 -0.0034 -0.0066 155 ARG A C +2800 O O . ARG A 165 ? 0.1940 0.1476 0.1702 0.0092 -0.0031 -0.0050 155 ARG A O +2801 C CB . ARG A 165 ? 0.1969 0.1701 0.1724 0.0002 -0.0045 -0.0099 155 ARG A CB +2802 C CG . ARG A 165 ? 0.1977 0.1796 0.1703 0.0003 -0.0049 -0.0140 155 ARG A CG +2803 C CD . ARG A 165 ? 0.1984 0.1991 0.1740 -0.0002 -0.0058 -0.0116 155 ARG A CD +2804 N NE . ARG A 165 ? 0.2133 0.2247 0.1852 0.0003 -0.0065 -0.0156 155 ARG A NE +2805 C CZ . ARG A 165 ? 0.2018 0.2234 0.1740 0.0065 -0.0056 -0.0124 155 ARG A CZ +2806 N NH1 . ARG A 165 ? 0.1960 0.2194 0.1722 0.0119 -0.0035 -0.0049 155 ARG A NH1 +2807 N NH2 . ARG A 165 ? 0.2090 0.2383 0.1764 0.0070 -0.0062 -0.0171 155 ARG A NH2 +2821 N N . TYR A 166 ? 0.1939 0.1459 0.1697 -0.0001 -0.0034 -0.0047 156 TYR A N +2822 C CA . TYR A 166 ? 0.1808 0.1318 0.1592 0.0022 -0.0033 -0.0007 156 TYR A CA +2823 C C . TYR A 166 ? 0.1969 0.1558 0.1790 -0.0010 -0.0033 0.0017 156 TYR A C +2824 O O . TYR A 166 ? 0.2002 0.1601 0.1814 -0.0060 -0.0032 0.0009 156 TYR A O +2825 C CB . TYR A 166 ? 0.1925 0.1304 0.1659 0.0031 -0.0025 -0.0001 156 TYR A CB +2826 C CG . TYR A 166 ? 0.1963 0.1359 0.1714 0.0078 -0.0029 0.0032 156 TYR A CG +2827 C CD1 . TYR A 166 ? 0.1884 0.1330 0.1664 0.0060 -0.0031 0.0055 156 TYR A CD1 +2828 C CD2 . TYR A 166 ? 0.2027 0.1413 0.1761 0.0141 -0.0031 0.0034 156 TYR A CD2 +2829 C CE1 . TYR A 166 ? 0.1921 0.1400 0.1709 0.0092 -0.0037 0.0069 156 TYR A CE1 +2830 C CE2 . TYR A 166 ? 0.1924 0.1372 0.1676 0.0176 -0.0040 0.0054 156 TYR A CE2 +2831 C CZ . TYR A 166 ? 0.1933 0.1424 0.1710 0.0145 -0.0043 0.0067 156 TYR A CZ +2832 O OH . TYR A 166 ? 0.1999 0.1567 0.1787 0.0172 -0.0054 0.0073 156 TYR A OH +2842 N N . LEU A 167 ? 0.1685 0.1328 0.1542 0.0018 -0.0027 0.0043 157 LEU A N +2843 C CA . LEU A 167 ? 0.1763 0.1467 0.1644 0.0012 -0.0017 0.0070 157 LEU A CA +2844 C C . LEU A 167 ? 0.1846 0.1500 0.1722 0.0015 -0.0013 0.0083 157 LEU A C +2845 O O . LEU A 167 ? 0.1888 0.1523 0.1769 0.0036 -0.0011 0.0080 157 LEU A O +2846 C CB . LEU A 167 ? 0.1906 0.1669 0.1810 0.0046 0.0001 0.0089 157 LEU A CB +2847 C CG . LEU A 167 ? 0.1904 0.1705 0.1818 0.0063 0.0023 0.0122 157 LEU A CG +2848 C CD1 . LEU A 167 ? 0.2162 0.2070 0.2081 0.0051 0.0017 0.0132 157 LEU A CD1 +2849 C CD2 . LEU A 167 ? 0.2560 0.2359 0.2477 0.0103 0.0055 0.0146 157 LEU A CD2 +2861 N N . LEU A 168 ? 0.1738 0.1389 0.1603 -0.0013 -0.0012 0.0093 158 LEU A N +2862 C CA . LEU A 168 ? 0.1699 0.1317 0.1548 -0.0008 -0.0006 0.0109 158 LEU A CA +2863 C C . LEU A 168 ? 0.1734 0.1426 0.1598 -0.0022 0.0009 0.0130 158 LEU A C +2864 O O . LEU A 168 ? 0.1763 0.1468 0.1620 -0.0062 0.0012 0.0138 158 LEU A O +2865 C CB . LEU A 168 ? 0.1982 0.1512 0.1789 -0.0018 -0.0010 0.0111 158 LEU A CB +2866 C CG . LEU A 168 ? 0.1956 0.1465 0.1735 0.0002 -0.0006 0.0133 158 LEU A CG +2867 C CD1 . LEU A 168 ? 0.2282 0.1812 0.2065 0.0043 -0.0018 0.0120 158 LEU A CD1 +2868 C CD2 . LEU A 168 ? 0.2621 0.2030 0.2343 -0.0005 0.0004 0.0154 158 LEU A CD2 +2880 N N . ARG A 169 ? 0.1784 0.1522 0.1666 0.0012 0.0025 0.0140 159 ARG A N +2881 C CA . ARG A 169 ? 0.1733 0.1558 0.1626 0.0024 0.0045 0.0165 159 ARG A CA +2882 C C . ARG A 169 ? 0.1823 0.1637 0.1696 0.0006 0.0051 0.0175 159 ARG A C +2883 O O . ARG A 169 ? 0.1957 0.1698 0.1803 0.0016 0.0049 0.0166 159 ARG A O +2884 C CB . ARG A 169 ? 0.1822 0.1644 0.1713 0.0081 0.0076 0.0178 159 ARG A CB +2885 C CG . ARG A 169 ? 0.1790 0.1638 0.1694 0.0103 0.0078 0.0184 159 ARG A CG +2886 C CD . ARG A 169 ? 0.2118 0.1914 0.2005 0.0160 0.0122 0.0203 159 ARG A CD +2887 N NE . ARG A 169 ? 0.1941 0.1800 0.1817 0.0216 0.0156 0.0241 159 ARG A NE +2888 C CZ . ARG A 169 ? 0.2055 0.1843 0.1894 0.0281 0.0211 0.0265 159 ARG A CZ +2889 N NH1 . ARG A 169 ? 0.2222 0.2070 0.2045 0.0347 0.0244 0.0302 159 ARG A NH1 +2890 N NH2 . ARG A 169 ? 0.2266 0.1920 0.2083 0.0279 0.0239 0.0253 159 ARG A NH2 +2904 N N . HIS A 170 ? 0.1788 0.1695 0.1676 -0.0024 0.0057 0.0193 160 HIS A N +2905 C CA . HIS A 170 ? 0.1791 0.1687 0.1657 -0.0045 0.0069 0.0210 160 HIS A CA +2906 C C . HIS A 170 ? 0.1790 0.1714 0.1640 0.0009 0.0093 0.0224 160 HIS A C +2907 O O . HIS A 170 ? 0.1886 0.1793 0.1706 0.0005 0.0103 0.0235 160 HIS A O +2908 C CB . HIS A 170 ? 0.1847 0.1826 0.1732 -0.0116 0.0074 0.0220 160 HIS A CB +2909 C CG . HIS A 170 ? 0.1808 0.1977 0.1737 -0.0108 0.0088 0.0237 160 HIS A CG +2910 N ND1 . HIS A 170 ? 0.1836 0.2133 0.1804 -0.0102 0.0077 0.0229 160 HIS A ND1 +2911 C CD2 . HIS A 170 ? 0.1960 0.2240 0.1899 -0.0093 0.0113 0.0267 160 HIS A CD2 +2912 C CE1 . HIS A 170 ? 0.1706 0.2190 0.1706 -0.0078 0.0095 0.0256 160 HIS A CE1 +2913 N NE2 . HIS A 170 ? 0.1833 0.2310 0.1819 -0.0075 0.0118 0.0278 160 HIS A NE2 +2921 N N . GLU A 171 ? 0.1823 0.1778 0.1683 0.0065 0.0111 0.0225 161 GLU A N +2922 C CA . GLU A 171 ? 0.1899 0.1833 0.1726 0.0126 0.0145 0.0226 161 GLU A CA +2923 C C . GLU A 171 ? 0.1785 0.1846 0.1617 0.0152 0.0173 0.0259 161 GLU A C +2924 O O . GLU A 171 ? 0.1791 0.1916 0.1625 0.0218 0.0205 0.0280 161 GLU A O +2925 C CB . GLU A 171 ? 0.2053 0.1874 0.1835 0.0120 0.0140 0.0193 161 GLU A CB +2926 C CG . GLU A 171 ? 0.2027 0.1765 0.1810 0.0093 0.0110 0.0162 161 GLU A CG +2927 C CD . GLU A 171 ? 0.2220 0.1919 0.2022 0.0106 0.0118 0.0151 161 GLU A CD +2928 O OE1 . GLU A 171 ? 0.2271 0.1993 0.2080 0.0145 0.0147 0.0172 161 GLU A OE1 +2929 O OE2 . GLU A 171 ? 0.2329 0.1979 0.2135 0.0084 0.0097 0.0124 161 GLU A OE2 +2936 N N . THR A 172 ? 0.1902 0.2001 0.1732 0.0105 0.0166 0.0269 162 THR A N +2937 C CA . THR A 172 ? 0.1935 0.2184 0.1779 0.0109 0.0192 0.0303 162 THR A CA +2938 C C . THR A 172 ? 0.1749 0.2021 0.1604 0.0018 0.0180 0.0316 162 THR A C +2939 O O . THR A 172 ? 0.1932 0.2075 0.1745 -0.0007 0.0168 0.0309 162 THR A O +2940 C CB . THR A 172 ? 0.1897 0.2128 0.1688 0.0179 0.0229 0.0304 162 THR A CB +2941 O OG1 . THR A 172 ? 0.1964 0.2358 0.1772 0.0179 0.0254 0.0340 162 THR A OG1 +2942 C CG2 . THR A 172 ? 0.2167 0.2265 0.1897 0.0165 0.0218 0.0275 162 THR A CG2 +2950 N N . ALA A 173 ? 0.1751 0.2189 0.1656 -0.0029 0.0190 0.0338 163 ALA A N +2951 C CA . ALA A 173 ? 0.1789 0.2239 0.1699 -0.0129 0.0196 0.0352 163 ALA A CA +2952 C C . ALA A 173 ? 0.2235 0.2733 0.2116 -0.0121 0.0231 0.0388 163 ALA A C +2953 O O . ALA A 173 ? 0.2426 0.2925 0.2303 -0.0205 0.0250 0.0410 163 ALA A O +2954 C CB . ALA A 173 ? 0.2054 0.2678 0.2032 -0.0209 0.0191 0.0346 163 ALA A CB +2960 N N . ASN A 174 ? 0.1900 0.2431 0.1755 -0.0026 0.0250 0.0394 164 ASN A N +2961 C CA . ASN A 174 ? 0.1893 0.2471 0.1710 -0.0010 0.0285 0.0425 164 ASN A CA +2962 C C . ASN A 174 ? 0.1941 0.2330 0.1677 -0.0004 0.0274 0.0417 164 ASN A C +2963 O O . ASN A 174 ? 0.1993 0.2278 0.1691 0.0056 0.0256 0.0380 164 ASN A O +2964 C CB . ASN A 174 ? 0.1946 0.2613 0.1750 0.0103 0.0312 0.0422 164 ASN A CB +2965 C CG . ASN A 174 ? 0.1983 0.2704 0.1737 0.0137 0.0351 0.0445 164 ASN A CG +2966 O OD1 . ASN A 174 ? 0.2112 0.2733 0.1806 0.0115 0.0349 0.0450 164 ASN A OD1 +2967 N ND2 . ASN A 174 ? 0.2404 0.3300 0.2177 0.0200 0.0388 0.0466 164 ASN A ND2 +2974 N N . PRO A 175 ? 0.2012 0.2355 0.1718 -0.0065 0.0287 0.0452 165 PRO A N +2975 C CA . PRO A 175 ? 0.2175 0.2358 0.1802 -0.0043 0.0272 0.0452 165 PRO A CA +2976 C C . PRO A 175 ? 0.2091 0.2294 0.1651 0.0039 0.0281 0.0443 165 PRO A C +2977 O O . PRO A 175 ? 0.2251 0.2359 0.1757 0.0075 0.0254 0.0418 165 PRO A O +2978 C CB . PRO A 175 ? 0.2481 0.2612 0.2083 -0.0120 0.0302 0.0508 165 PRO A CB +2979 C CG . PRO A 175 ? 0.3207 0.3505 0.2866 -0.0182 0.0340 0.0535 165 PRO A CG +2980 C CD . PRO A 175 ? 0.2214 0.2648 0.1953 -0.0160 0.0319 0.0494 165 PRO A CD +2988 N N . VAL A 176 ? 0.2106 0.2443 0.1666 0.0069 0.0316 0.0458 166 VAL A N +2989 C CA . VAL A 176 ? 0.2151 0.2505 0.1636 0.0147 0.0329 0.0436 166 VAL A CA +2990 C C . VAL A 176 ? 0.2184 0.2469 0.1663 0.0201 0.0308 0.0363 166 VAL A C +2991 O O . VAL A 176 ? 0.2322 0.2533 0.1737 0.0229 0.0290 0.0316 166 VAL A O +2992 C CB . VAL A 176 ? 0.2190 0.2708 0.1675 0.0169 0.0381 0.0473 166 VAL A CB +2993 C CG1 . VAL A 176 ? 0.2356 0.2889 0.1758 0.0258 0.0399 0.0435 166 VAL A CG1 +2994 C CG2 . VAL A 176 ? 0.2263 0.2824 0.1740 0.0104 0.0408 0.0546 166 VAL A CG2 +3004 N N . LEU A 177 ? 0.2099 0.2420 0.1639 0.0215 0.0316 0.0352 167 LEU A N +3005 C CA . LEU A 177 ? 0.2220 0.2446 0.1747 0.0262 0.0311 0.0292 167 LEU A CA +3006 C C . LEU A 177 ? 0.2073 0.2171 0.1603 0.0222 0.0264 0.0259 167 LEU A C +3007 O O . LEU A 177 ? 0.2171 0.2175 0.1662 0.0242 0.0258 0.0199 167 LEU A O +3008 C CB . LEU A 177 ? 0.2348 0.2646 0.1938 0.0292 0.0331 0.0310 167 LEU A CB +3009 C CG . LEU A 177 ? 0.2514 0.2700 0.2075 0.0357 0.0349 0.0264 167 LEU A CG +3010 C CD1 . LEU A 177 ? 0.2931 0.3055 0.2401 0.0421 0.0389 0.0222 167 LEU A CD1 +3011 C CD2 . LEU A 177 ? 0.3029 0.3311 0.2650 0.0402 0.0369 0.0302 167 LEU A CD2 +3023 N N . HIS A 178 ? 0.1972 0.2064 0.1552 0.0162 0.0236 0.0290 168 HIS A N +3024 C CA . HIS A 178 ? 0.1941 0.1926 0.1526 0.0136 0.0195 0.0262 168 HIS A CA +3025 C C . HIS A 178 ? 0.2058 0.1999 0.1573 0.0153 0.0178 0.0231 168 HIS A C +3026 O O . HIS A 178 ? 0.2114 0.2000 0.1620 0.0158 0.0158 0.0178 168 HIS A O +3027 C CB . HIS A 178 ? 0.1978 0.1951 0.1605 0.0075 0.0179 0.0301 168 HIS A CB +3028 C CG . HIS A 178 ? 0.1879 0.1760 0.1525 0.0058 0.0144 0.0275 168 HIS A CG +3029 N ND1 . HIS A 178 ? 0.1933 0.1818 0.1638 0.0034 0.0135 0.0267 168 HIS A ND1 +3030 C CD2 . HIS A 178 ? 0.1893 0.1702 0.1507 0.0068 0.0116 0.0254 168 HIS A CD2 +3031 C CE1 . HIS A 178 ? 0.2050 0.1851 0.1755 0.0029 0.0106 0.0244 168 HIS A CE1 +3032 N NE2 . HIS A 178 ? 0.2032 0.1792 0.1687 0.0050 0.0094 0.0236 168 HIS A NE2 +3040 N N . ARG A 179 ? 0.2051 0.2039 0.1515 0.0160 0.0189 0.0268 169 ARG A N +3041 C CA . ARG A 179 ? 0.2152 0.2143 0.1542 0.0186 0.0170 0.0246 169 ARG A CA +3042 C C . ARG A 179 ? 0.2260 0.2268 0.1604 0.0216 0.0179 0.0171 169 ARG A C +3043 O O . ARG A 179 ? 0.2434 0.2439 0.1743 0.0216 0.0152 0.0115 169 ARG A O +3044 C CB . ARG A 179 ? 0.2481 0.2517 0.1816 0.0195 0.0188 0.0317 169 ARG A CB +3045 C CG . ARG A 179 ? 0.2737 0.2818 0.1981 0.0240 0.0171 0.0308 169 ARG A CG +3046 C CD . ARG A 179 ? 0.2597 0.2643 0.1842 0.0245 0.0127 0.0294 169 ARG A CD +3047 N NE . ARG A 179 ? 0.2813 0.2953 0.1971 0.0295 0.0108 0.0287 169 ARG A NE +3048 C CZ . ARG A 179 ? 0.2348 0.2512 0.1484 0.0326 0.0074 0.0298 169 ARG A CZ +3049 N NH1 . ARG A 179 ? 0.2822 0.2901 0.2010 0.0313 0.0059 0.0315 169 ARG A NH1 +3050 N NH2 . ARG A 179 ? 0.2846 0.3138 0.1901 0.0380 0.0056 0.0294 169 ARG A NH2 +3064 N N . LYS A 180 ? 0.2174 0.2204 0.1512 0.0241 0.0221 0.0164 170 LYS A N +3065 C CA . LYS A 180 ? 0.2288 0.2292 0.1567 0.0271 0.0244 0.0084 170 LYS A CA +3066 C C . LYS A 180 ? 0.2399 0.2294 0.1702 0.0246 0.0233 0.0017 170 LYS A C +3067 O O . LYS A 180 ? 0.2610 0.2468 0.1861 0.0232 0.0231 -0.0066 170 LYS A O +3068 C CB . LYS A 180 ? 0.2546 0.2579 0.1812 0.0319 0.0299 0.0099 170 LYS A CB +3069 C CG . LYS A 180 ? 0.2856 0.3011 0.2083 0.0343 0.0320 0.0152 170 LYS A CG +3070 C CD . LYS A 180 ? 0.3925 0.4140 0.3150 0.0400 0.0378 0.0171 170 LYS A CD +3071 C CE . LYS A 180 ? 0.4407 0.4760 0.3588 0.0425 0.0408 0.0221 170 LYS A CE +3072 N NZ . LYS A 180 ? 0.3818 0.4252 0.3019 0.0484 0.0463 0.0245 170 LYS A NZ +3086 N N . LEU A 181 ? 0.2160 0.2010 0.1541 0.0231 0.0229 0.0048 171 LEU A N +3087 C CA . LEU A 181 ? 0.2201 0.1944 0.1603 0.0212 0.0231 -0.0003 171 LEU A CA +3088 C C . LEU A 181 ? 0.2108 0.1850 0.1540 0.0162 0.0180 -0.0023 171 LEU A C +3089 O O . LEU A 181 ? 0.2255 0.1927 0.1692 0.0132 0.0181 -0.0081 171 LEU A O +3090 C CB . LEU A 181 ? 0.2213 0.1935 0.1677 0.0235 0.0254 0.0046 171 LEU A CB +3091 C CG . LEU A 181 ? 0.2528 0.2268 0.1966 0.0301 0.0310 0.0067 171 LEU A CG +3092 C CD1 . LEU A 181 ? 0.2984 0.2757 0.2492 0.0327 0.0321 0.0124 171 LEU A CD1 +3093 C CD2 . LEU A 181 ? 0.3712 0.3330 0.3068 0.0335 0.0362 -0.0001 171 LEU A CD2 +3105 N N . ARG A 182 ? 0.2077 0.1889 0.1523 0.0155 0.0142 0.0025 172 ARG A N +3106 C CA . ARG A 182 ? 0.2180 0.2002 0.1654 0.0130 0.0096 0.0024 172 ARG A CA +3107 C C . ARG A 182 ? 0.2332 0.2243 0.1750 0.0150 0.0072 0.0040 172 ARG A C +3108 O O . ARG A 182 ? 0.2250 0.2172 0.1667 0.0166 0.0062 0.0110 172 ARG A O +3109 C CB . ARG A 182 ? 0.2115 0.1904 0.1655 0.0120 0.0087 0.0081 172 ARG A CB +3110 C CG . ARG A 182 ? 0.2004 0.1741 0.1589 0.0117 0.0115 0.0078 172 ARG A CG +3111 C CD . ARG A 182 ? 0.2130 0.1853 0.1775 0.0099 0.0099 0.0115 172 ARG A CD +3112 N NE . ARG A 182 ? 0.2141 0.1837 0.1804 0.0082 0.0069 0.0086 172 ARG A NE +3113 C CZ . ARG A 182 ? 0.2143 0.1842 0.1811 0.0077 0.0039 0.0107 172 ARG A CZ +3114 N NH1 . ARG A 182 ? 0.2101 0.1794 0.1757 0.0077 0.0039 0.0157 172 ARG A NH1 +3115 N NH2 . ARG A 182 ? 0.2234 0.1939 0.1914 0.0074 0.0016 0.0075 172 ARG A NH2 +3129 N N . PRO A 183 ? 0.2314 0.2286 0.1675 0.0151 0.0066 -0.0026 173 PRO A N +3130 C CA . PRO A 183 ? 0.2225 0.2309 0.1513 0.0187 0.0051 -0.0006 173 PRO A CA +3131 C C . PRO A 183 ? 0.2431 0.2585 0.1720 0.0209 0.0009 0.0030 173 PRO A C +3132 O O . PRO A 183 ? 0.2808 0.3052 0.2030 0.0257 0.0000 0.0072 173 PRO A O +3133 C CB . PRO A 183 ? 0.2586 0.2721 0.1815 0.0169 0.0057 -0.0110 173 PRO A CB +3134 C CG . PRO A 183 ? 0.2808 0.2860 0.2087 0.0111 0.0061 -0.0186 173 PRO A CG +3135 C CD . PRO A 183 ? 0.2566 0.2495 0.1913 0.0117 0.0085 -0.0123 173 PRO A CD +3143 N N . ASP A 184 ? 0.2307 0.2429 0.1658 0.0189 -0.0013 0.0023 174 ASP A N +3144 C CA . ASP A 184 ? 0.2387 0.2569 0.1739 0.0227 -0.0046 0.0062 174 ASP A CA +3145 C C . ASP A 184 ? 0.2555 0.2631 0.1906 0.0259 -0.0030 0.0163 174 ASP A C +3146 O O . ASP A 184 ? 0.2872 0.2967 0.2198 0.0311 -0.0044 0.0211 174 ASP A O +3147 C CB . ASP A 184 ? 0.2373 0.2563 0.1796 0.0190 -0.0069 0.0008 174 ASP A CB +3148 C CG . ASP A 184 ? 0.2363 0.2635 0.1788 0.0134 -0.0076 -0.0099 174 ASP A CG +3149 O OD1 . ASP A 184 ? 0.2819 0.3260 0.2204 0.0144 -0.0104 -0.0139 174 ASP A OD1 +3150 O OD2 . ASP A 184 ? 0.2787 0.2956 0.2247 0.0078 -0.0049 -0.0147 174 ASP A OD2 +3155 N N . THR A 185 ? 0.2223 0.2190 0.1599 0.0228 0.0004 0.0192 175 THR A N +3156 C CA . THR A 185 ? 0.2247 0.2101 0.1638 0.0225 0.0020 0.0261 175 THR A CA +3157 C C . THR A 185 ? 0.2294 0.2102 0.1685 0.0194 0.0061 0.0302 175 THR A C +3158 O O . THR A 185 ? 0.2362 0.2235 0.1714 0.0206 0.0077 0.0304 175 THR A O +3159 C CB . THR A 185 ? 0.2201 0.2000 0.1662 0.0198 0.0003 0.0229 175 THR A CB +3160 O OG1 . THR A 185 ? 0.2368 0.2052 0.1828 0.0194 0.0020 0.0285 175 THR A OG1 +3161 C CG2 . THR A 185 ? 0.2182 0.1970 0.1706 0.0149 0.0010 0.0175 175 THR A CG2 +3169 N N . SER A 186 ? 0.2355 0.2073 0.1786 0.0153 0.0078 0.0331 176 SER A N +3170 C CA . SER A 186 ? 0.2327 0.2035 0.1763 0.0112 0.0118 0.0372 176 SER A CA +3171 C C . SER A 186 ? 0.2276 0.1931 0.1779 0.0052 0.0123 0.0365 176 SER A C +3172 O O . SER A 186 ? 0.2272 0.1859 0.1795 0.0048 0.0102 0.0346 176 SER A O +3173 C CB . SER A 186 ? 0.2450 0.2109 0.1810 0.0126 0.0150 0.0450 176 SER A CB +3174 O OG . SER A 186 ? 0.2709 0.2235 0.2047 0.0127 0.0153 0.0480 176 SER A OG +3180 N N . PHE A 187 ? 0.2258 0.1964 0.1795 0.0005 0.0151 0.0381 177 PHE A N +3181 C CA . PHE A 187 ? 0.2329 0.2023 0.1926 -0.0062 0.0155 0.0373 177 PHE A CA +3182 C C . PHE A 187 ? 0.2462 0.2014 0.2022 -0.0103 0.0171 0.0400 177 PHE A C +3183 O O . PHE A 187 ? 0.2481 0.1973 0.2067 -0.0136 0.0158 0.0372 177 PHE A O +3184 C CB . PHE A 187 ? 0.2327 0.2149 0.1967 -0.0104 0.0185 0.0388 177 PHE A CB +3185 C CG . PHE A 187 ? 0.2474 0.2328 0.2176 -0.0182 0.0186 0.0375 177 PHE A CG +3186 C CD1 . PHE A 187 ? 0.2750 0.2658 0.2507 -0.0172 0.0160 0.0335 177 PHE A CD1 +3187 C CD2 . PHE A 187 ? 0.3195 0.3015 0.2887 -0.0270 0.0219 0.0402 177 PHE A CD2 +3188 C CE1 . PHE A 187 ? 0.2777 0.2740 0.2584 -0.0246 0.0157 0.0317 177 PHE A CE1 +3189 C CE2 . PHE A 187 ? 0.3736 0.3599 0.3480 -0.0361 0.0220 0.0374 177 PHE A CE2 +3190 C CZ . PHE A 187 ? 0.3073 0.3024 0.2875 -0.0343 0.0185 0.0331 177 PHE A CZ +3200 N N . GLU A 188 ? 0.2503 0.1984 0.1988 -0.0096 0.0204 0.0458 178 GLU A N +3201 C CA . GLU A 188 ? 0.2724 0.2021 0.2150 -0.0123 0.0234 0.0491 178 GLU A CA +3202 C C . GLU A 188 ? 0.2731 0.1936 0.2139 -0.0064 0.0201 0.0464 178 GLU A C +3203 O O . GLU A 188 ? 0.2763 0.1840 0.2162 -0.0102 0.0213 0.0449 178 GLU A O +3204 C CB . GLU A 188 ? 0.3059 0.2294 0.2391 -0.0092 0.0279 0.0570 178 GLU A CB +3205 C CG . GLU A 188 ? 0.4046 0.3045 0.3283 -0.0092 0.0326 0.0621 178 GLU A CG +3206 C CD . GLU A 188 ? 0.4768 0.3704 0.3896 -0.0041 0.0380 0.0717 178 GLU A CD +3207 O OE1 . GLU A 188 ? 0.4927 0.4017 0.4058 -0.0016 0.0376 0.0737 178 GLU A OE1 +3208 O OE2 . GLU A 188 ? 0.4844 0.3566 0.3874 -0.0019 0.0430 0.0774 178 GLU A OE2 +3215 N N . ASN A 189 ? 0.2575 0.1853 0.1975 0.0024 0.0163 0.0451 179 ASN A N +3216 C CA A ASN A 189 ? 0.2920 0.2154 0.2316 0.0080 0.0131 0.0425 179 ASN A CA +3217 C CA B ASN A 189 ? 0.2359 0.1583 0.1752 0.0077 0.0134 0.0428 179 ASN A CA +3218 C C . ASN A 189 ? 0.2715 0.1962 0.2189 0.0031 0.0108 0.0364 179 ASN A C +3219 O O . ASN A 189 ? 0.2766 0.1913 0.2230 0.0033 0.0108 0.0350 179 ASN A O +3220 C CB A ASN A 189 ? 0.2912 0.2280 0.2306 0.0158 0.0092 0.0407 179 ASN A CB +3221 C CB B ASN A 189 ? 0.2372 0.1702 0.1744 0.0169 0.0099 0.0423 179 ASN A CB +3222 C CG A ASN A 189 ? 0.3068 0.2440 0.2370 0.0237 0.0104 0.0467 179 ASN A CG +3223 C CG B ASN A 189 ? 0.2800 0.2079 0.2146 0.0237 0.0083 0.0422 179 ASN A CG +3224 O OD1 A ASN A 189 ? 0.3610 0.2851 0.2837 0.0251 0.0148 0.0536 179 ASN A OD1 +3225 O OD1 B ASN A 189 ? 0.3869 0.3012 0.3136 0.0281 0.0116 0.0478 179 ASN A OD1 +3226 N ND2 A ASN A 189 ? 0.3121 0.2648 0.2419 0.0290 0.0068 0.0441 179 ASN A ND2 +3227 N ND2 B ASN A 189 ? 0.2546 0.1928 0.1953 0.0248 0.0040 0.0363 179 ASN A ND2 +3240 N N . ARG A 190 ? 0.2449 0.1822 0.1994 -0.0000 0.0093 0.0329 180 ARG A N +3241 C CA . ARG A 190 ? 0.2329 0.1738 0.1943 -0.0031 0.0072 0.0279 180 ARG A CA +3242 C C . ARG A 190 ? 0.2261 0.1593 0.1877 -0.0104 0.0092 0.0275 180 ARG A C +3243 O O . ARG A 190 ? 0.2330 0.1619 0.1959 -0.0114 0.0079 0.0241 180 ARG A O +3244 C CB . ARG A 190 ? 0.2457 0.1999 0.2126 -0.0038 0.0069 0.0261 180 ARG A CB +3245 C CG . ARG A 190 ? 0.2797 0.2388 0.2525 -0.0037 0.0050 0.0220 180 ARG A CG +3246 C CD . ARG A 190 ? 0.2484 0.2084 0.2212 0.0009 0.0033 0.0195 180 ARG A CD +3247 N NE . ARG A 190 ? 0.2043 0.1674 0.1816 0.0015 0.0028 0.0165 180 ARG A NE +3248 C CZ . ARG A 190 ? 0.1898 0.1520 0.1675 0.0036 0.0017 0.0136 180 ARG A CZ +3249 N NH1 . ARG A 190 ? 0.2053 0.1670 0.1802 0.0055 0.0001 0.0127 180 ARG A NH1 +3250 N NH2 . ARG A 190 ? 0.1971 0.1603 0.1782 0.0038 0.0024 0.0118 180 ARG A NH2 +3264 N N . LEU A 191 ? 0.2311 0.1640 0.1917 -0.0167 0.0126 0.0302 181 LEU A N +3265 C CA . LEU A 191 ? 0.2512 0.1772 0.2115 -0.0261 0.0151 0.0286 181 LEU A CA +3266 C C . LEU A 191 ? 0.2547 0.1584 0.2067 -0.0252 0.0173 0.0291 181 LEU A C +3267 O O . LEU A 191 ? 0.2637 0.1606 0.2156 -0.0297 0.0174 0.0245 181 LEU A O +3268 C CB . LEU A 191 ? 0.2683 0.1994 0.2290 -0.0340 0.0190 0.0317 181 LEU A CB +3269 C CG . LEU A 191 ? 0.2838 0.2071 0.2433 -0.0467 0.0228 0.0296 181 LEU A CG +3270 C CD1 . LEU A 191 ? 0.3269 0.2615 0.2931 -0.0517 0.0196 0.0229 181 LEU A CD1 +3271 C CD2 . LEU A 191 ? 0.3665 0.2983 0.3273 -0.0545 0.0270 0.0333 181 LEU A CD2 +3283 N N . ASN A 192 ? 0.2674 0.1603 0.2117 -0.0180 0.0193 0.0344 182 ASN A N +3284 C CA . ASN A 192 ? 0.2930 0.1643 0.2283 -0.0141 0.0221 0.0359 182 ASN A CA +3285 C C . ASN A 192 ? 0.2812 0.1534 0.2187 -0.0088 0.0182 0.0310 182 ASN A C +3286 O O . ASN A 192 ? 0.2878 0.1443 0.2205 -0.0100 0.0204 0.0285 182 ASN A O +3287 C CB . ASN A 192 ? 0.3083 0.1728 0.2349 -0.0043 0.0244 0.0436 182 ASN A CB +3288 C CG . ASN A 192 ? 0.4057 0.2612 0.3266 -0.0101 0.0306 0.0495 182 ASN A CG +3289 O OD1 . ASN A 192 ? 0.4335 0.2806 0.3547 -0.0223 0.0346 0.0475 182 ASN A OD1 +3290 N ND2 . ASN A 192 ? 0.4677 0.3253 0.3828 -0.0021 0.0319 0.0566 182 ASN A ND2 +3297 N N . CYS A 193 ? 0.2552 0.1448 0.1994 -0.0033 0.0130 0.0291 183 CYS A N +3298 C CA . CYS A 193 ? 0.2508 0.1438 0.1983 0.0006 0.0097 0.0246 183 CYS A CA +3299 C C . CYS A 193 ? 0.2538 0.1472 0.2053 -0.0078 0.0094 0.0189 183 CYS A C +3300 O O . CYS A 193 ? 0.2618 0.1461 0.2104 -0.0069 0.0099 0.0158 183 CYS A O +3301 C CB . CYS A 193 ? 0.2310 0.1421 0.1851 0.0052 0.0053 0.0233 183 CYS A CB +3302 S SG . CYS A 193 ? 0.2669 0.1832 0.2167 0.0155 0.0042 0.0275 183 CYS A SG +3308 N N . LEU A 194 ? 0.2261 0.1317 0.1837 -0.0152 0.0088 0.0177 184 LEU A N +3309 C CA . LEU A 194 ? 0.2338 0.1448 0.1952 -0.0231 0.0082 0.0124 184 LEU A CA +3310 C C . LEU A 194 ? 0.2531 0.1465 0.2076 -0.0305 0.0121 0.0098 184 LEU A C +3311 O O . LEU A 194 ? 0.2667 0.1575 0.2204 -0.0332 0.0115 0.0041 184 LEU A O +3312 C CB . LEU A 194 ? 0.2383 0.1675 0.2065 -0.0286 0.0077 0.0128 184 LEU A CB +3313 C CG . LEU A 194 ? 0.2159 0.1610 0.1905 -0.0219 0.0046 0.0136 184 LEU A CG +3314 C CD1 . LEU A 194 ? 0.2460 0.2063 0.2251 -0.0242 0.0053 0.0156 184 LEU A CD1 +3315 C CD2 . LEU A 194 ? 0.2336 0.1852 0.2115 -0.0204 0.0022 0.0099 184 LEU A CD2 +3327 N N . LEU A 195 ? 0.2626 0.1423 0.2110 -0.0342 0.0168 0.0135 185 LEU A N +3328 C CA . LEU A 195 ? 0.2911 0.1491 0.2312 -0.0423 0.0221 0.0108 185 LEU A CA +3329 C C . LEU A 195 ? 0.3091 0.1468 0.2406 -0.0339 0.0236 0.0099 185 LEU A C +3330 O O . LEU A 195 ? 0.3194 0.1433 0.2457 -0.0397 0.0261 0.0038 185 LEU A O +3331 C CB . LEU A 195 ? 0.3421 0.1878 0.2766 -0.0476 0.0281 0.0164 185 LEU A CB +3332 C CG . LEU A 195 ? 0.3355 0.2021 0.2782 -0.0573 0.0277 0.0169 185 LEU A CG +3333 C CD1 . LEU A 195 ? 0.3743 0.2292 0.3110 -0.0604 0.0339 0.0239 185 LEU A CD1 +3334 C CD2 . LEU A 195 ? 0.4143 0.2904 0.3616 -0.0714 0.0274 0.0087 185 LEU A CD2 +3346 N N . THR A 196 ? 0.2981 0.1348 0.2275 -0.0203 0.0222 0.0153 186 THR A N +3347 C CA . THR A 196 ? 0.3332 0.1544 0.2549 -0.0100 0.0237 0.0152 186 THR A CA +3348 C C . THR A 196 ? 0.3103 0.1417 0.2371 -0.0100 0.0196 0.0080 186 THR A C +3349 O O . THR A 196 ? 0.3381 0.1540 0.2581 -0.0095 0.0222 0.0037 186 THR A O +3350 C CB . THR A 196 ? 0.3307 0.1576 0.2513 0.0040 0.0220 0.0223 186 THR A CB +3351 O OG1 . THR A 196 ? 0.3714 0.1873 0.2850 0.0049 0.0266 0.0296 186 THR A OG1 +3352 C CG2 . THR A 196 ? 0.3790 0.1964 0.2931 0.0166 0.0230 0.0230 186 THR A CG2 +3360 N N . LEU A 197 ? 0.2827 0.1384 0.2204 -0.0102 0.0140 0.0068 187 LEU A N +3361 C CA . LEU A 197 ? 0.2718 0.1383 0.2141 -0.0097 0.0107 0.0011 187 LEU A CA +3362 C C . LEU A 197 ? 0.3038 0.1644 0.2434 -0.0204 0.0124 -0.0060 187 LEU A C +3363 O O . LEU A 197 ? 0.3070 0.1624 0.2430 -0.0187 0.0126 -0.0112 187 LEU A O +3364 C CB . LEU A 197 ? 0.2492 0.1398 0.2023 -0.0092 0.0060 0.0020 187 LEU A CB +3365 C CG . LEU A 197 ? 0.2520 0.1502 0.2079 0.0002 0.0040 0.0065 187 LEU A CG +3366 C CD1 . LEU A 197 ? 0.2554 0.1713 0.2196 -0.0016 0.0014 0.0075 187 LEU A CD1 +3367 C CD2 . LEU A 197 ? 0.2622 0.1617 0.2177 0.0085 0.0029 0.0053 187 LEU A CD2 +3379 N N . LYS A 198 ? 0.2841 0.1476 0.2254 -0.0319 0.0136 -0.0072 188 LYS A N +3380 C CA A LYS A 198 ? 0.2997 0.1607 0.2386 -0.0441 0.0152 -0.0152 188 LYS A CA +3381 C CA B LYS A 198 ? 0.3114 0.1721 0.2501 -0.0440 0.0152 -0.0154 188 LYS A CA +3382 C C . LYS A 198 ? 0.3280 0.1575 0.2536 -0.0454 0.0213 -0.0186 188 LYS A C +3383 O O . LYS A 198 ? 0.3584 0.1819 0.2794 -0.0490 0.0220 -0.0266 188 LYS A O +3384 C CB A LYS A 198 ? 0.3023 0.1751 0.2460 -0.0567 0.0158 -0.0155 188 LYS A CB +3385 C CB B LYS A 198 ? 0.3773 0.2480 0.3200 -0.0577 0.0162 -0.0167 188 LYS A CB +3386 C CG A LYS A 198 ? 0.5960 0.4784 0.5405 -0.0701 0.0154 -0.0252 188 LYS A CG +3387 C CG B LYS A 198 ? 0.3229 0.2215 0.2767 -0.0571 0.0120 -0.0131 188 LYS A CG +3388 C CD A LYS A 198 ? 0.8610 0.7606 0.8114 -0.0840 0.0159 -0.0264 188 LYS A CD +3389 C CD B LYS A 198 ? 0.8007 0.6972 0.7548 -0.0634 0.0153 -0.0084 188 LYS A CD +3390 C CE A LYS A 198 ? 0.7328 0.6630 0.6948 -0.0791 0.0113 -0.0207 188 LYS A CE +3391 C CE B LYS A 198 ? 0.4421 0.3655 0.4049 -0.0726 0.0137 -0.0099 188 LYS A CE +3392 N NZ A LYS A 198 ? 0.5348 0.4601 0.4979 -0.0730 0.0129 -0.0116 188 LYS A NZ +3393 N NZ B LYS A 198 ? 0.6624 0.5954 0.6259 -0.0820 0.0124 -0.0190 188 LYS A NZ +3418 N N . GLU A 199 ? 0.3342 0.1422 0.2523 -0.0419 0.0264 -0.0124 189 GLU A N +3419 C CA . GLU A 199 ? 0.3588 0.1328 0.2624 -0.0419 0.0338 -0.0143 189 GLU A CA +3420 C C . GLU A 199 ? 0.4042 0.1706 0.3025 -0.0293 0.0334 -0.0167 189 GLU A C +3421 O O . GLU A 199 ? 0.4297 0.1734 0.3172 -0.0315 0.0383 -0.0230 189 GLU A O +3422 C CB . GLU A 199 ? 0.4130 0.1673 0.3091 -0.0366 0.0395 -0.0047 189 GLU A CB +3423 C CG . GLU A 199 ? 0.5287 0.2437 0.4078 -0.0350 0.0490 -0.0046 189 GLU A CG +3424 C CD . GLU A 199 ? 0.9373 0.6361 0.8083 -0.0232 0.0539 0.0074 189 GLU A CD +3425 O OE1 . GLU A 199 ? 0.8548 0.5744 0.7338 -0.0184 0.0496 0.0146 189 GLU A OE1 +3426 O OE2 . GLU A 199 ? 1.3393 1.0041 1.1948 -0.0177 0.0625 0.0097 189 GLU A OE2 +3433 N N . LEU A 200 ? 0.3168 0.1610 0.2938 0.0433 0.0021 0.0073 190 LEU A N +3434 C CA . LEU A 200 ? 0.3375 0.1861 0.3134 0.0505 0.0014 0.0028 190 LEU A CA +3435 C C . LEU A 200 ? 0.3142 0.1679 0.2912 0.0472 0.0004 -0.0057 190 LEU A C +3436 O O . LEU A 200 ? 0.3621 0.2199 0.3382 0.0529 0.0001 -0.0100 190 LEU A O +3437 C CB . LEU A 200 ? 0.3145 0.1795 0.2902 0.0553 0.0004 0.0062 190 LEU A CB +3438 C CG . LEU A 200 ? 0.3329 0.1950 0.3068 0.0609 0.0011 0.0141 190 LEU A CG +3439 C CD1 . LEU A 200 ? 0.3155 0.1946 0.2891 0.0639 -0.0004 0.0170 190 LEU A CD1 +3440 C CD2 . LEU A 200 ? 0.4450 0.2949 0.4172 0.0695 0.0021 0.0144 190 LEU A CD2 +3452 N N . GLY A 201 ? 0.3075 0.1626 0.2861 0.0388 -0.0001 -0.0078 191 GLY A N +3453 C CA . GLY A 201 ? 0.3183 0.1779 0.2974 0.0354 -0.0012 -0.0155 191 GLY A CA +3454 C C . GLY A 201 ? 0.3113 0.1890 0.2912 0.0341 -0.0023 -0.0163 191 GLY A C +3455 O O . GLY A 201 ? 0.3075 0.1910 0.2873 0.0327 -0.0031 -0.0221 191 GLY A O +3459 N N . TYR A 202 ? 0.2574 0.1443 0.2381 0.0344 -0.0025 -0.0108 192 TYR A N +3460 C CA . TYR A 202 ? 0.2398 0.1415 0.2216 0.0316 -0.0035 -0.0114 192 TYR A CA +3461 C C . TYR A 202 ? 0.2529 0.1555 0.2363 0.0239 -0.0040 -0.0127 192 TYR A C +3462 O O . TYR A 202 ? 0.2771 0.1719 0.2614 0.0198 -0.0035 -0.0105 192 TYR A O +3463 C CB . TYR A 202 ? 0.2520 0.1610 0.2341 0.0327 -0.0036 -0.0054 192 TYR A CB +3464 C CG . TYR A 202 ? 0.2318 0.1462 0.2131 0.0397 -0.0038 -0.0038 192 TYR A CG +3465 C CD1 . TYR A 202 ? 0.2425 0.1495 0.2224 0.0448 -0.0031 -0.0001 192 TYR A CD1 +3466 C CD2 . TYR A 202 ? 0.2379 0.1660 0.2202 0.0409 -0.0046 -0.0052 192 TYR A CD2 +3467 C CE1 . TYR A 202 ? 0.2393 0.1532 0.2189 0.0514 -0.0036 0.0018 192 TYR A CE1 +3468 C CE2 . TYR A 202 ? 0.2287 0.1638 0.2112 0.0466 -0.0050 -0.0035 192 TYR A CE2 +3469 C CZ . TYR A 202 ? 0.2294 0.1581 0.2105 0.0519 -0.0046 -0.0001 192 TYR A CZ +3470 O OH . TYR A 202 ? 0.2463 0.1844 0.2280 0.0578 -0.0053 0.0016 192 TYR A OH +3480 N N . GLU A 203 ? 0.2403 0.1535 0.2241 0.0219 -0.0049 -0.0156 193 GLU A N +3481 C CA A GLU A 203 ? 0.2385 0.1570 0.2240 0.0157 -0.0055 -0.0147 193 GLU A CA +3482 C CA B GLU A 203 ? 0.2241 0.1427 0.2096 0.0157 -0.0055 -0.0147 193 GLU A CA +3483 C C . GLU A 203 ? 0.2455 0.1688 0.2317 0.0157 -0.0052 -0.0090 193 GLU A C +3484 O O . GLU A 203 ? 0.2450 0.1752 0.2306 0.0190 -0.0054 -0.0077 193 GLU A O +3485 C CB A GLU A 203 ? 0.2406 0.1694 0.2260 0.0145 -0.0065 -0.0185 193 GLU A CB +3486 C CB B GLU A 203 ? 0.2111 0.1402 0.1965 0.0147 -0.0064 -0.0182 193 GLU A CB +3487 C CG A GLU A 203 ? 0.2201 0.1449 0.2041 0.0143 -0.0070 -0.0250 193 GLU A CG +3488 C CG B GLU A 203 ? 0.5290 0.4557 0.5138 0.0122 -0.0072 -0.0239 193 GLU A CG +3489 C CD A GLU A 203 ? 0.3615 0.2970 0.3446 0.0134 -0.0079 -0.0287 193 GLU A CD +3490 C CD B GLU A 203 ? 0.4678 0.4063 0.4518 0.0120 -0.0079 -0.0263 193 GLU A CD +3491 O OE1 A GLU A 203 ? 0.2396 0.1847 0.2236 0.0113 -0.0082 -0.0260 193 GLU A OE1 +3492 O OE1 B GLU A 203 ? 0.2715 0.2130 0.2536 0.0163 -0.0076 -0.0291 193 GLU A OE1 +3493 O OE2 A GLU A 203 ? 0.2864 0.2202 0.2672 0.0151 -0.0081 -0.0346 193 GLU A OE2 +3494 O OE2 B GLU A 203 ? 0.2736 0.2188 0.2589 0.0082 -0.0086 -0.0246 193 GLU A OE2 +3507 N N A THR A 204 ? 0.2104 0.1303 0.1978 0.0121 -0.0046 -0.0057 194 THR A N +3508 N N B THR A 204 ? 0.2718 0.1909 0.2590 0.0124 -0.0046 -0.0056 194 THR A N +3509 C CA A THR A 204 ? 0.2067 0.1286 0.1937 0.0128 -0.0040 -0.0004 194 THR A CA +3510 C CA B THR A 204 ? 0.2859 0.2083 0.2728 0.0131 -0.0041 -0.0004 194 THR A CA +3511 C C A THR A 204 ? 0.2320 0.1613 0.2205 0.0089 -0.0042 0.0008 194 THR A C +3512 C C B THR A 204 ? 0.1981 0.1277 0.1866 0.0090 -0.0042 0.0006 194 THR A C +3513 O O A THR A 204 ? 0.2404 0.1694 0.2309 0.0045 -0.0041 0.0000 194 THR A O +3514 O O B THR A 204 ? 0.2198 0.1490 0.2102 0.0047 -0.0042 -0.0004 194 THR A O +3515 C CB A THR A 204 ? 0.2159 0.1276 0.2026 0.0128 -0.0027 0.0032 194 THR A CB +3516 C CB B THR A 204 ? 0.2675 0.1811 0.2538 0.0138 -0.0027 0.0039 194 THR A CB +3517 O OG1 A THR A 204 ? 0.3061 0.2098 0.2914 0.0172 -0.0025 0.0020 194 THR A OG1 +3518 O OG1 B THR A 204 ? 0.2565 0.1654 0.2448 0.0085 -0.0020 0.0044 194 THR A OG1 +3519 C CG2 A THR A 204 ? 0.2623 0.1765 0.2476 0.0145 -0.0019 0.0087 194 THR A CG2 +3520 C CG2 B THR A 204 ? 0.2240 0.1292 0.2087 0.0186 -0.0025 0.0031 194 THR A CG2 +3535 N N . GLY A 205 ? 0.2018 0.1380 0.1895 0.0105 -0.0044 0.0026 195 GLY A N +3536 C CA . GLY A 205 ? 0.1978 0.1400 0.1863 0.0080 -0.0044 0.0038 195 GLY A CA +3537 C C . GLY A 205 ? 0.1885 0.1309 0.1759 0.0086 -0.0034 0.0078 195 GLY A C +3538 O O . GLY A 205 ? 0.2001 0.1425 0.1852 0.0118 -0.0036 0.0093 195 GLY A O +3543 N N . ALA A 206 ? 0.1882 0.1319 0.1769 0.0058 -0.0025 0.0095 196 ALA A N +3544 C CA . ALA A 206 ? 0.1833 0.1288 0.1706 0.0065 -0.0014 0.0128 196 ALA A CA +3545 C C . ALA A 206 ? 0.1903 0.1419 0.1783 0.0055 -0.0015 0.0122 196 ALA A C +3546 O O . ALA A 206 ? 0.1879 0.1423 0.1766 0.0052 -0.0027 0.0097 196 ALA A O +3547 C CB . ALA A 206 ? 0.2178 0.1591 0.2059 0.0047 0.0004 0.0162 196 ALA A CB +3553 N N . GLY A 207 ? 0.1863 0.1402 0.1742 0.0052 -0.0001 0.0145 197 GLY A N +3554 C CA . GLY A 207 ? 0.1929 0.1517 0.1813 0.0052 0.0001 0.0140 197 GLY A CA +3555 C C . GLY A 207 ? 0.1877 0.1477 0.1726 0.0077 0.0009 0.0151 197 GLY A C +3556 O O . GLY A 207 ? 0.2157 0.1743 0.1976 0.0096 0.0004 0.0152 197 GLY A O +3560 N N . SER A 208 ? 0.2080 0.1714 0.1935 0.0080 0.0019 0.0154 198 SER A N +3561 C CA . SER A 208 ? 0.2219 0.1867 0.2038 0.0106 0.0031 0.0160 198 SER A CA +3562 C C . SER A 208 ? 0.1882 0.1533 0.1689 0.0119 0.0023 0.0133 198 SER A C +3563 O O . SER A 208 ? 0.2076 0.1725 0.1905 0.0109 0.0013 0.0121 198 SER A O +3564 C CB . SER A 208 ? 0.2558 0.2241 0.2389 0.0105 0.0056 0.0189 198 SER A CB +3565 O OG . SER A 208 ? 0.2804 0.2520 0.2683 0.0087 0.0058 0.0188 198 SER A OG +3571 N N . MET A 209 ? 0.1920 0.1572 0.1687 0.0143 0.0029 0.0125 199 MET A N +3572 C CA . MET A 209 ? 0.2037 0.1680 0.1789 0.0159 0.0030 0.0101 199 MET A CA +3573 C C . MET A 209 ? 0.2000 0.1674 0.1757 0.0179 0.0054 0.0115 199 MET A C +3574 O O . MET A 209 ? 0.2186 0.1896 0.1941 0.0183 0.0072 0.0141 199 MET A O +3575 C CB . MET A 209 ? 0.2266 0.1889 0.1968 0.0172 0.0019 0.0073 199 MET A CB +3576 C CG . MET A 209 ? 0.2194 0.1799 0.1898 0.0153 -0.0006 0.0055 199 MET A CG +3577 S SD . MET A 209 ? 0.2429 0.2034 0.2081 0.0162 -0.0024 0.0019 199 MET A SD +3578 C CE . MET A 209 ? 0.2457 0.2100 0.2084 0.0179 -0.0020 0.0049 199 MET A CE +3588 N N . VAL A 210 ? 0.1888 0.1556 0.1657 0.0192 0.0057 0.0105 200 VAL A N +3589 C CA . VAL A 210 ? 0.1920 0.1626 0.1698 0.0220 0.0081 0.0117 200 VAL A CA +3590 C C . VAL A 210 ? 0.2025 0.1697 0.1758 0.0257 0.0088 0.0086 200 VAL A C +3591 O O . VAL A 210 ? 0.2123 0.1734 0.1841 0.0256 0.0074 0.0060 200 VAL A O +3592 C CB . VAL A 210 ? 0.1972 0.1704 0.1803 0.0214 0.0079 0.0132 200 VAL A CB +3593 C CG1 . VAL A 210 ? 0.2309 0.2091 0.2154 0.0250 0.0102 0.0144 200 VAL A CG1 +3594 C CG2 . VAL A 210 ? 0.2140 0.1902 0.2010 0.0175 0.0070 0.0151 200 VAL A CG2 +3604 N N . GLY A 211 ? 0.2143 0.1853 0.1850 0.0288 0.0112 0.0089 201 GLY A N +3605 C CA . GLY A 211 ? 0.2176 0.1854 0.1830 0.0328 0.0121 0.0052 201 GLY A CA +3606 C C . GLY A 211 ? 0.2229 0.1888 0.1822 0.0329 0.0112 0.0023 201 GLY A C +3607 O O . GLY A 211 ? 0.2416 0.2030 0.1961 0.0353 0.0110 -0.0021 201 GLY A O +3611 N N . LEU A 212 ? 0.2250 0.1940 0.1838 0.0306 0.0106 0.0045 202 LEU A N +3612 C CA . LEU A 212 ? 0.2278 0.1970 0.1803 0.0314 0.0097 0.0024 202 LEU A CA +3613 C C . LEU A 212 ? 0.2443 0.2175 0.1916 0.0359 0.0124 0.0012 202 LEU A C +3614 O O . LEU A 212 ? 0.2460 0.2243 0.1954 0.0379 0.0154 0.0042 202 LEU A O +3615 C CB . LEU A 212 ? 0.2378 0.2101 0.1909 0.0291 0.0090 0.0063 202 LEU A CB +3616 C CG . LEU A 212 ? 0.2199 0.1888 0.1769 0.0253 0.0062 0.0065 202 LEU A CG +3617 C CD1 . LEU A 212 ? 0.2377 0.2089 0.1963 0.0239 0.0065 0.0111 202 LEU A CD1 +3618 C CD2 . LEU A 212 ? 0.2443 0.2104 0.1979 0.0248 0.0034 0.0022 202 LEU A CD2 +3630 N N . PRO A 213 ? 0.2573 0.2293 0.1976 0.0376 0.0113 -0.0032 203 PRO A N +3631 C CA . PRO A 213 ? 0.2666 0.2432 0.2009 0.0424 0.0140 -0.0047 203 PRO A CA +3632 C C . PRO A 213 ? 0.2726 0.2582 0.2068 0.0430 0.0166 0.0016 203 PRO A C +3633 O O . PRO A 213 ? 0.3368 0.3236 0.2717 0.0403 0.0153 0.0051 203 PRO A O +3634 C CB . PRO A 213 ? 0.3282 0.3025 0.2550 0.0428 0.0113 -0.0106 203 PRO A CB +3635 C CG . PRO A 213 ? 0.3422 0.3110 0.2718 0.0386 0.0078 -0.0122 203 PRO A CG +3636 C CD . PRO A 213 ? 0.2882 0.2560 0.2260 0.0352 0.0076 -0.0071 203 PRO A CD +3644 N N . GLY A 214 ? 0.2971 0.2884 0.2314 0.0464 0.0203 0.0033 204 GLY A N +3645 C CA . GLY A 214 ? 0.3334 0.3338 0.2682 0.0467 0.0236 0.0097 204 GLY A CA +3646 C C . GLY A 214 ? 0.3348 0.3370 0.2786 0.0426 0.0245 0.0158 204 GLY A C +3647 O O . GLY A 214 ? 0.3722 0.3815 0.3177 0.0420 0.0273 0.0215 204 GLY A O +3651 N N . GLN A 215 ? 0.2693 0.2658 0.2191 0.0397 0.0222 0.0148 205 GLN A N +3652 C CA . GLN A 215 ? 0.2909 0.2890 0.2488 0.0356 0.0225 0.0194 205 GLN A CA +3653 C C . GLN A 215 ? 0.2597 0.2639 0.2225 0.0374 0.0251 0.0204 205 GLN A C +3654 O O . GLN A 215 ? 0.3119 0.3137 0.2739 0.0409 0.0249 0.0165 205 GLN A O +3655 C CB . GLN A 215 ? 0.2575 0.2476 0.2183 0.0322 0.0187 0.0172 205 GLN A CB +3656 C CG . GLN A 215 ? 0.2327 0.2232 0.2011 0.0276 0.0181 0.0207 205 GLN A CG +3657 C CD . GLN A 215 ? 0.2396 0.2231 0.2097 0.0252 0.0146 0.0180 205 GLN A CD +3658 O OE1 . GLN A 215 ? 0.2637 0.2441 0.2333 0.0269 0.0136 0.0146 205 GLN A OE1 +3659 N NE2 . GLN A 215 ? 0.2250 0.2058 0.1969 0.0218 0.0130 0.0195 205 GLN A NE2 +3668 N N . THR A 216 ? 0.2332 0.2449 0.2015 0.0351 0.0274 0.0256 206 THR A N +3669 C CA . THR A 216 ? 0.2477 0.2680 0.2218 0.0365 0.0299 0.0273 206 THR A CA +3670 C C . THR A 216 ? 0.2342 0.2556 0.2171 0.0314 0.0283 0.0296 206 THR A C +3671 O O . THR A 216 ? 0.2220 0.2372 0.2065 0.0266 0.0257 0.0300 206 THR A O +3672 C CB . THR A 216 ? 0.2493 0.2808 0.2237 0.0373 0.0343 0.0321 206 THR A CB +3673 O OG1 . THR A 216 ? 0.2739 0.3056 0.2517 0.0312 0.0342 0.0370 206 THR A OG1 +3674 C CG2 . THR A 216 ? 0.3039 0.3359 0.2688 0.0423 0.0360 0.0302 206 THR A CG2 +3682 N N . ILE A 217 ? 0.2506 0.2808 0.2394 0.0326 0.0299 0.0309 207 ILE A N +3683 C CA . ILE A 217 ? 0.2286 0.2620 0.2258 0.0276 0.0284 0.0329 207 ILE A CA +3684 C C . ILE A 217 ? 0.2254 0.2608 0.2260 0.0211 0.0289 0.0370 207 ILE A C +3685 O O . ILE A 217 ? 0.2127 0.2441 0.2169 0.0159 0.0263 0.0370 207 ILE A O +3686 C CB . ILE A 217 ? 0.2629 0.3078 0.2662 0.0305 0.0300 0.0340 207 ILE A CB +3687 C CG1 . ILE A 217 ? 0.3414 0.3818 0.3413 0.0371 0.0293 0.0300 207 ILE A CG1 +3688 C CG2 . ILE A 217 ? 0.2603 0.3111 0.2723 0.0247 0.0283 0.0361 207 ILE A CG2 +3689 C CD1 . ILE A 217 ? 0.3826 0.4143 0.3831 0.0353 0.0253 0.0278 207 ILE A CD1 +3701 N N . ASP A 218 ? 0.2210 0.2618 0.2198 0.0214 0.0324 0.0405 208 ASP A N +3702 C CA . ASP A 218 ? 0.2239 0.2645 0.2257 0.0150 0.0331 0.0450 208 ASP A CA +3703 C C . ASP A 218 ? 0.2096 0.2370 0.2072 0.0126 0.0301 0.0438 208 ASP A C +3704 O O . ASP A 218 ? 0.2079 0.2313 0.2094 0.0068 0.0290 0.0456 208 ASP A O +3705 C CB . ASP A 218 ? 0.2412 0.2894 0.2407 0.0162 0.0377 0.0498 208 ASP A CB +3706 C CG . ASP A 218 ? 0.3787 0.4422 0.3842 0.0171 0.0412 0.0525 208 ASP A CG +3707 O OD1 . ASP A 218 ? 0.3695 0.4386 0.3836 0.0130 0.0404 0.0532 208 ASP A OD1 +3708 O OD2 . ASP A 218 ? 0.5820 0.6528 0.5835 0.0218 0.0449 0.0540 208 ASP A OD2 +3713 N N . ASP A 219 ? 0.1977 0.2181 0.1875 0.0170 0.0287 0.0403 209 ASP A N +3714 C CA . ASP A 219 ? 0.2054 0.2149 0.1918 0.0154 0.0257 0.0389 209 ASP A CA +3715 C C . ASP A 219 ? 0.2027 0.2070 0.1935 0.0123 0.0222 0.0359 209 ASP A C +3716 O O . ASP A 219 ? 0.2000 0.1979 0.1918 0.0087 0.0205 0.0364 209 ASP A O +3717 C CB . ASP A 219 ? 0.2211 0.2261 0.1991 0.0204 0.0246 0.0352 209 ASP A CB +3718 C CG . ASP A 219 ? 0.2345 0.2438 0.2062 0.0237 0.0275 0.0377 209 ASP A CG +3719 O OD1 . ASP A 219 ? 0.2440 0.2549 0.2161 0.0214 0.0294 0.0432 209 ASP A OD1 +3720 O OD2 . ASP A 219 ? 0.2658 0.2766 0.2320 0.0287 0.0279 0.0342 209 ASP A OD2 +3725 N N . LEU A 220 ? 0.1881 0.1953 0.1813 0.0141 0.0213 0.0330 210 LEU A N +3726 C CA . LEU A 220 ? 0.1843 0.1881 0.1813 0.0115 0.0182 0.0306 210 LEU A CA +3727 C C . LEU A 220 ? 0.1970 0.2043 0.2009 0.0056 0.0181 0.0329 210 LEU A C +3728 O O . LEU A 220 ? 0.1921 0.1940 0.1976 0.0022 0.0156 0.0314 210 LEU A O +3729 C CB . LEU A 220 ? 0.2034 0.2108 0.2016 0.0151 0.0177 0.0283 210 LEU A CB +3730 C CG . LEU A 220 ? 0.3296 0.3321 0.3215 0.0205 0.0175 0.0251 210 LEU A CG +3731 C CD1 . LEU A 220 ? 0.3160 0.3198 0.3102 0.0231 0.0167 0.0234 210 LEU A CD1 +3732 C CD2 . LEU A 220 ? 0.3789 0.3722 0.3656 0.0202 0.0154 0.0227 210 LEU A CD2 +3744 N N . VAL A 221 ? 0.1840 0.2006 0.1922 0.0042 0.0208 0.0364 211 VAL A N +3745 C CA . VAL A 221 ? 0.1863 0.2060 0.2014 -0.0024 0.0208 0.0386 211 VAL A CA +3746 C C . VAL A 221 ? 0.1868 0.1967 0.2001 -0.0062 0.0206 0.0401 211 VAL A C +3747 O O . VAL A 221 ? 0.2019 0.2071 0.2185 -0.0112 0.0186 0.0390 211 VAL A O +3748 C CB . VAL A 221 ? 0.2104 0.2433 0.2309 -0.0035 0.0243 0.0426 211 VAL A CB +3749 C CG1 . VAL A 221 ? 0.2322 0.2672 0.2600 -0.0116 0.0243 0.0449 211 VAL A CG1 +3750 C CG2 . VAL A 221 ? 0.2068 0.2499 0.2301 0.0006 0.0242 0.0411 211 VAL A CG2 +3760 N N . ASP A 222 ? 0.1937 0.1999 0.2010 -0.0034 0.0225 0.0425 212 ASP A N +3761 C CA . ASP A 222 ? 0.1961 0.1926 0.2011 -0.0058 0.0223 0.0445 212 ASP A CA +3762 C C . ASP A 222 ? 0.1935 0.1800 0.1961 -0.0053 0.0185 0.0400 212 ASP A C +3763 O O . ASP A 222 ? 0.2049 0.1835 0.2085 -0.0086 0.0176 0.0404 212 ASP A O +3764 C CB . ASP A 222 ? 0.2010 0.1970 0.1991 -0.0015 0.0248 0.0478 212 ASP A CB +3765 C CG . ASP A 222 ? 0.2394 0.2436 0.2395 -0.0030 0.0291 0.0537 212 ASP A CG +3766 O OD1 . ASP A 222 ? 0.2694 0.2768 0.2766 -0.0088 0.0302 0.0563 212 ASP A OD1 +3767 O OD2 . ASP A 222 ? 0.2405 0.2482 0.2346 0.0016 0.0313 0.0557 212 ASP A OD2 +3772 N N . ASP A 223 ? 0.1997 0.1861 0.1990 -0.0010 0.0166 0.0360 213 ASP A N +3773 C CA . ASP A 223 ? 0.1857 0.1648 0.1835 -0.0009 0.0133 0.0319 213 ASP A CA +3774 C C . ASP A 223 ? 0.1986 0.1775 0.2021 -0.0056 0.0115 0.0301 213 ASP A C +3775 O O . ASP A 223 ? 0.2042 0.1758 0.2077 -0.0075 0.0099 0.0286 213 ASP A O +3776 C CB . ASP A 223 ? 0.1914 0.1715 0.1859 0.0034 0.0119 0.0284 213 ASP A CB +3777 C CG . ASP A 223 ? 0.2061 0.1842 0.1940 0.0077 0.0124 0.0284 213 ASP A CG +3778 O OD1 . ASP A 223 ? 0.2066 0.1799 0.1915 0.0079 0.0122 0.0298 213 ASP A OD1 +3779 O OD2 . ASP A 223 ? 0.2220 0.2033 0.2075 0.0111 0.0128 0.0267 213 ASP A OD2 +3784 N N . LEU A 224 ? 0.1912 0.1789 0.1997 -0.0071 0.0118 0.0299 214 LEU A N +3785 C CA . LEU A 224 ? 0.1840 0.1735 0.1978 -0.0116 0.0098 0.0278 214 LEU A CA +3786 C C . LEU A 224 ? 0.2041 0.1888 0.2209 -0.0173 0.0103 0.0293 214 LEU A C +3787 O O . LEU A 224 ? 0.2046 0.1837 0.2225 -0.0203 0.0082 0.0263 214 LEU A O +3788 C CB . LEU A 224 ? 0.1992 0.2008 0.2181 -0.0120 0.0101 0.0281 214 LEU A CB +3789 C CG . LEU A 224 ? 0.1829 0.1878 0.1994 -0.0065 0.0093 0.0264 214 LEU A CG +3790 C CD1 . LEU A 224 ? 0.2077 0.2255 0.2297 -0.0062 0.0101 0.0277 214 LEU A CD1 +3791 C CD2 . LEU A 224 ? 0.2013 0.2011 0.2159 -0.0063 0.0061 0.0226 214 LEU A CD2 +3803 N N . LEU A 225 ? 0.1935 0.1802 0.2117 -0.0190 0.0134 0.0340 215 LEU A N +3804 C CA . LEU A 225 ? 0.2245 0.2056 0.2460 -0.0249 0.0142 0.0361 215 LEU A CA +3805 C C . LEU A 225 ? 0.2059 0.1731 0.2224 -0.0237 0.0136 0.0359 215 LEU A C +3806 O O . LEU A 225 ? 0.2394 0.1986 0.2582 -0.0282 0.0129 0.0350 215 LEU A O +3807 C CB . LEU A 225 ? 0.2228 0.2107 0.2472 -0.0271 0.0181 0.0420 215 LEU A CB +3808 C CG . LEU A 225 ? 0.2616 0.2645 0.2926 -0.0290 0.0186 0.0421 215 LEU A CG +3809 C CD1 . LEU A 225 ? 0.3468 0.3579 0.3799 -0.0298 0.0229 0.0482 215 LEU A CD1 +3810 C CD2 . LEU A 225 ? 0.3391 0.3432 0.3769 -0.0362 0.0162 0.0391 215 LEU A CD2 +3822 N N . PHE A 226 ? 0.2061 0.1703 0.2161 -0.0177 0.0138 0.0365 216 PHE A N +3823 C CA . PHE A 226 ? 0.2258 0.1785 0.2312 -0.0154 0.0129 0.0361 216 PHE A CA +3824 C C . PHE A 226 ? 0.2047 0.1527 0.2107 -0.0160 0.0096 0.0303 216 PHE A C +3825 O O . PHE A 226 ? 0.2372 0.1754 0.2429 -0.0174 0.0089 0.0293 216 PHE A O +3826 C CB . PHE A 226 ? 0.2221 0.1759 0.2209 -0.0089 0.0133 0.0372 216 PHE A CB +3827 C CG . PHE A 226 ? 0.2112 0.1562 0.2055 -0.0056 0.0117 0.0362 216 PHE A CG +3828 C CD1 . PHE A 226 ? 0.2372 0.1743 0.2297 -0.0053 0.0130 0.0403 216 PHE A CD1 +3829 C CD2 . PHE A 226 ? 0.2460 0.1913 0.2381 -0.0025 0.0091 0.0316 216 PHE A CD2 +3830 C CE1 . PHE A 226 ? 0.2685 0.1986 0.2572 -0.0015 0.0115 0.0395 216 PHE A CE1 +3831 C CE2 . PHE A 226 ? 0.2326 0.1714 0.2212 0.0007 0.0078 0.0309 216 PHE A CE2 +3832 C CZ . PHE A 226 ? 0.2430 0.1750 0.2299 0.0016 0.0090 0.0348 216 PHE A CZ +3842 N N . LEU A 227 ? 0.2004 0.1551 0.2068 -0.0146 0.0078 0.0266 217 LEU A N +3843 C CA . LEU A 227 ? 0.1984 0.1506 0.2049 -0.0148 0.0049 0.0212 217 LEU A CA +3844 C C . LEU A 227 ? 0.2307 0.1806 0.2418 -0.0207 0.0041 0.0192 217 LEU A C +3845 O O . LEU A 227 ? 0.2411 0.1830 0.2512 -0.0214 0.0027 0.0159 217 LEU A O +3846 C CB . LEU A 227 ? 0.2122 0.1727 0.2184 -0.0125 0.0036 0.0188 217 LEU A CB +3847 C CG . LEU A 227 ? 0.2171 0.1784 0.2187 -0.0073 0.0039 0.0195 217 LEU A CG +3848 C CD1 . LEU A 227 ? 0.2802 0.2490 0.2822 -0.0055 0.0033 0.0183 217 LEU A CD1 +3849 C CD2 . LEU A 227 ? 0.2181 0.1725 0.2157 -0.0045 0.0026 0.0177 217 LEU A CD2 +3861 N N . LYS A 228 ? 0.2166 0.1737 0.2328 -0.0251 0.0050 0.0208 218 LYS A N +3862 C CA . LYS A 228 ? 0.2522 0.2085 0.2736 -0.0318 0.0041 0.0185 218 LYS A CA +3863 C C . LYS A 228 ? 0.2738 0.2168 0.2949 -0.0347 0.0052 0.0198 218 LYS A C +3864 O O . LYS A 228 ? 0.2878 0.2235 0.3099 -0.0380 0.0035 0.0156 218 LYS A O +3865 C CB . LYS A 228 ? 0.2801 0.2489 0.3076 -0.0357 0.0052 0.0210 218 LYS A CB +3866 C CG . LYS A 228 ? 0.2946 0.2654 0.3287 -0.0439 0.0041 0.0189 218 LYS A CG +3867 C CD . LYS A 228 ? 0.3397 0.3126 0.3741 -0.0449 0.0005 0.0125 218 LYS A CD +3868 C CE . LYS A 228 ? 0.3827 0.3627 0.4244 -0.0531 -0.0010 0.0102 218 LYS A CE +3869 N NZ . LYS A 228 ? 0.2250 0.2045 0.2653 -0.0539 -0.0047 0.0031 218 LYS A NZ +3883 N N . GLU A 229 ? 0.2550 0.1944 0.2745 -0.0332 0.0081 0.0258 219 GLU A N +3884 C CA . GLU A 229 ? 0.2757 0.2020 0.2948 -0.0356 0.0096 0.0286 219 GLU A CA +3885 C C . GLU A 229 ? 0.2743 0.1881 0.2892 -0.0323 0.0078 0.0246 219 GLU A C +3886 O O . GLU A 229 ? 0.3068 0.2090 0.3229 -0.0358 0.0077 0.0232 219 GLU A O +3887 C CB . GLU A 229 ? 0.2936 0.2198 0.3098 -0.0324 0.0130 0.0361 219 GLU A CB +3888 C CG . GLU A 229 ? 0.3541 0.2657 0.3683 -0.0328 0.0149 0.0405 219 GLU A CG +3889 C CD . GLU A 229 ? 0.5807 0.4941 0.5914 -0.0294 0.0182 0.0485 219 GLU A CD +3890 O OE1 . GLU A 229 ? 0.4668 0.3916 0.4753 -0.0256 0.0187 0.0496 219 GLU A OE1 +3891 O OE2 . GLU A 229 ? 0.7347 0.6375 0.7443 -0.0302 0.0202 0.0535 219 GLU A OE2 +3898 N N . HIS A 230 ? 0.2504 0.1662 0.2605 -0.0257 0.0065 0.0226 220 HIS A N +3899 C CA . HIS A 230 ? 0.2810 0.1870 0.2871 -0.0216 0.0052 0.0196 220 HIS A CA +3900 C C . HIS A 230 ? 0.2746 0.1823 0.2809 -0.0217 0.0023 0.0122 220 HIS A C +3901 O O . HIS A 230 ? 0.3079 0.2082 0.3111 -0.0181 0.0014 0.0091 220 HIS A O +3902 C CB . HIS A 230 ? 0.3045 0.2118 0.3053 -0.0144 0.0057 0.0226 220 HIS A CB +3903 C CG . HIS A 230 ? 0.3136 0.2180 0.3130 -0.0134 0.0085 0.0298 220 HIS A CG +3904 N ND1 . HIS A 230 ? 0.3859 0.2777 0.3841 -0.0132 0.0099 0.0332 220 HIS A ND1 +3905 C CD2 . HIS A 230 ? 0.2930 0.2055 0.2916 -0.0126 0.0103 0.0345 220 HIS A CD2 +3906 C CE1 . HIS A 230 ? 0.3409 0.2339 0.3376 -0.0123 0.0125 0.0402 220 HIS A CE1 +3907 N NE2 . HIS A 230 ? 0.3366 0.2424 0.3332 -0.0118 0.0127 0.0408 220 HIS A NE2 +3915 N N . ASP A 231 ? 0.2443 0.1621 0.2538 -0.0251 0.0010 0.0095 221 ASP A N +3916 C CA . ASP A 231 ? 0.2675 0.1876 0.2771 -0.0259 -0.0017 0.0026 221 ASP A CA +3917 C C . ASP A 231 ? 0.2612 0.1812 0.2659 -0.0193 -0.0027 0.0004 221 ASP A C +3918 O O . ASP A 231 ? 0.2635 0.1782 0.2663 -0.0180 -0.0039 -0.0044 221 ASP A O +3919 C CB . ASP A 231 ? 0.3048 0.2146 0.3163 -0.0308 -0.0024 -0.0014 221 ASP A CB +3920 C CG . ASP A 231 ? 0.3363 0.2490 0.3474 -0.0318 -0.0052 -0.0090 221 ASP A CG +3921 O OD1 . ASP A 231 ? 0.3150 0.2405 0.3270 -0.0321 -0.0067 -0.0103 221 ASP A OD1 +3922 O OD2 . ASP A 231 ? 0.4028 0.3047 0.4124 -0.0325 -0.0060 -0.0137 221 ASP A OD2 +3927 N N . PHE A 232 ? 0.2377 0.1641 0.2405 -0.0152 -0.0021 0.0037 222 PHE A N +3928 C CA . PHE A 232 ? 0.2242 0.1510 0.2230 -0.0096 -0.0028 0.0022 222 PHE A CA +3929 C C . PHE A 232 ? 0.2139 0.1462 0.2125 -0.0096 -0.0048 -0.0030 222 PHE A C +3930 O O . PHE A 232 ? 0.2244 0.1645 0.2252 -0.0125 -0.0058 -0.0043 222 PHE A O +3931 C CB . PHE A 232 ? 0.2309 0.1643 0.2282 -0.0064 -0.0020 0.0061 222 PHE A CB +3932 C CG . PHE A 232 ? 0.2201 0.1488 0.2159 -0.0048 -0.0001 0.0111 222 PHE A CG +3933 C CD1 . PHE A 232 ? 0.2194 0.1405 0.2123 -0.0010 0.0001 0.0119 222 PHE A CD1 +3934 C CD2 . PHE A 232 ? 0.2309 0.1631 0.2280 -0.0065 0.0015 0.0152 222 PHE A CD2 +3935 C CE1 . PHE A 232 ? 0.2399 0.1574 0.2309 0.0010 0.0018 0.0171 222 PHE A CE1 +3936 C CE2 . PHE A 232 ? 0.2289 0.1576 0.2239 -0.0048 0.0034 0.0201 222 PHE A CE2 +3937 C CZ . PHE A 232 ? 0.2452 0.1666 0.2371 -0.0013 0.0034 0.0212 222 PHE A CZ +3947 N N . ASP A 233 ? 0.2032 0.1326 0.1989 -0.0057 -0.0054 -0.0056 223 ASP A N +3948 C CA . ASP A 233 ? 0.2102 0.1451 0.2048 -0.0049 -0.0069 -0.0103 223 ASP A CA +3949 C C . ASP A 233 ? 0.1950 0.1404 0.1895 -0.0038 -0.0073 -0.0086 223 ASP A C +3950 O O . ASP A 233 ? 0.2198 0.1722 0.2144 -0.0048 -0.0085 -0.0110 223 ASP A O +3951 C CB . ASP A 233 ? 0.2105 0.1403 0.2022 -0.0005 -0.0070 -0.0132 223 ASP A CB +3952 C CG . ASP A 233 ? 0.2596 0.1770 0.2512 -0.0011 -0.0065 -0.0149 223 ASP A CG +3953 O OD1 . ASP A 233 ? 0.2618 0.1765 0.2549 -0.0054 -0.0073 -0.0186 223 ASP A OD1 +3954 O OD2 . ASP A 233 ? 0.2774 0.1874 0.2677 0.0025 -0.0053 -0.0123 223 ASP A OD2 +3959 N N . MET A 234 ? 0.1904 0.1367 0.1841 -0.0014 -0.0063 -0.0046 224 MET A N +3960 C CA A MET A 234 ? 0.2036 0.1577 0.1970 -0.0004 -0.0065 -0.0029 224 MET A CA +3961 C CA B MET A 234 ? 0.1784 0.1325 0.1718 -0.0004 -0.0065 -0.0029 224 MET A CA +3962 C C . MET A 234 ? 0.1762 0.1305 0.1703 -0.0008 -0.0053 0.0012 224 MET A C +3963 O O . MET A 234 ? 0.1870 0.1360 0.1806 -0.0001 -0.0043 0.0033 224 MET A O +3964 C CB A MET A 234 ? 0.2509 0.2071 0.2422 0.0032 -0.0066 -0.0032 224 MET A CB +3965 C CB B MET A 234 ? 0.2592 0.2149 0.2504 0.0032 -0.0066 -0.0033 224 MET A CB +3966 C CG A MET A 234 ? 0.6971 0.6531 0.6872 0.0048 -0.0072 -0.0070 224 MET A CG +3967 C CG B MET A 234 ? 0.1790 0.1352 0.1693 0.0044 -0.0073 -0.0072 224 MET A CG +3968 S SD A MET A 234 ? 0.2277 0.1756 0.2165 0.0085 -0.0066 -0.0073 224 MET A SD +3969 S SD B MET A 234 ? 0.4763 0.4342 0.4649 0.0090 -0.0070 -0.0072 224 MET A SD +3970 C CE A MET A 234 ? 0.2086 0.1615 0.1965 0.0120 -0.0065 -0.0047 224 MET A CE +3971 C CE B MET A 234 ? 0.5433 0.4919 0.5312 0.0114 -0.0064 -0.0058 224 MET A CE +3990 N N . VAL A 235 ? 0.1710 0.1315 0.1659 -0.0011 -0.0053 0.0025 225 VAL A N +3991 C CA . VAL A 235 ? 0.1693 0.1306 0.1642 -0.0006 -0.0041 0.0058 225 VAL A CA +3992 C C . VAL A 235 ? 0.1705 0.1356 0.1642 0.0012 -0.0043 0.0063 225 VAL A C +3993 O O . VAL A 235 ? 0.1823 0.1518 0.1771 0.0007 -0.0048 0.0060 225 VAL A O +3994 C CB . VAL A 235 ? 0.1807 0.1450 0.1787 -0.0033 -0.0035 0.0071 225 VAL A CB +3995 C CG1 . VAL A 235 ? 0.1918 0.1576 0.1894 -0.0019 -0.0018 0.0104 225 VAL A CG1 +3996 C CG2 . VAL A 235 ? 0.2028 0.1631 0.2027 -0.0063 -0.0033 0.0066 225 VAL A CG2 +4006 N N . GLY A 236 ? 0.1736 0.1367 0.1650 0.0033 -0.0039 0.0072 226 GLY A N +4007 C CA . GLY A 236 ? 0.1714 0.1364 0.1616 0.0045 -0.0040 0.0074 226 GLY A CA +4008 C C . GLY A 236 ? 0.1722 0.1372 0.1616 0.0055 -0.0028 0.0091 226 GLY A C +4009 O O . GLY A 236 ? 0.1833 0.1463 0.1708 0.0065 -0.0022 0.0099 226 GLY A O +4013 N N . ILE A 237 ? 0.1742 0.1416 0.1646 0.0056 -0.0025 0.0097 227 ILE A N +4014 C CA . ILE A 237 ? 0.1726 0.1405 0.1625 0.0073 -0.0011 0.0109 227 ILE A CA +4015 C C . ILE A 237 ? 0.1857 0.1521 0.1741 0.0087 -0.0012 0.0104 227 ILE A C +4016 O O . ILE A 237 ? 0.1877 0.1550 0.1773 0.0081 -0.0020 0.0105 227 ILE A O +4017 C CB . ILE A 237 ? 0.1942 0.1666 0.1873 0.0066 -0.0003 0.0125 227 ILE A CB +4018 C CG1 . ILE A 237 ? 0.2686 0.2411 0.2631 0.0046 0.0003 0.0133 227 ILE A CG1 +4019 C CG2 . ILE A 237 ? 0.2353 0.2096 0.2282 0.0091 0.0013 0.0138 227 ILE A CG2 +4020 C CD1 . ILE A 237 ? 0.3005 0.2786 0.2994 0.0024 0.0006 0.0144 227 ILE A CD1 +4032 N N . GLY A 238 ? 0.1779 0.1419 0.1637 0.0105 -0.0004 0.0099 228 GLY A N +4033 C CA . GLY A 238 ? 0.1815 0.1423 0.1660 0.0117 -0.0003 0.0091 228 GLY A CA +4034 C C . GLY A 238 ? 0.1840 0.1431 0.1656 0.0144 0.0010 0.0083 228 GLY A C +4035 O O . GLY A 238 ? 0.1936 0.1547 0.1740 0.0151 0.0018 0.0086 228 GLY A O +4039 N N . PRO A 239 ? 0.1862 0.1412 0.1664 0.0161 0.0014 0.0073 229 PRO A N +4040 C CA . PRO A 239 ? 0.1899 0.1425 0.1666 0.0191 0.0027 0.0054 229 PRO A CA +4041 C C . PRO A 239 ? 0.2029 0.1528 0.1757 0.0179 0.0015 0.0023 229 PRO A C +4042 O O . PRO A 239 ? 0.2060 0.1542 0.1791 0.0151 -0.0003 0.0012 229 PRO A O +4043 C CB . PRO A 239 ? 0.2218 0.1690 0.1984 0.0210 0.0033 0.0051 229 PRO A CB +4044 C CG . PRO A 239 ? 0.2150 0.1598 0.1935 0.0175 0.0016 0.0057 229 PRO A CG +4045 C CD . PRO A 239 ? 0.1899 0.1417 0.1714 0.0155 0.0009 0.0079 229 PRO A CD +4053 N N . PHE A 240 ? 0.1992 0.1502 0.1683 0.0204 0.0026 0.0010 230 PHE A N +4054 C CA . PHE A 240 ? 0.2029 0.1516 0.1674 0.0202 0.0013 -0.0028 230 PHE A CA +4055 C C . PHE A 240 ? 0.2085 0.1496 0.1714 0.0202 0.0009 -0.0063 230 PHE A C +4056 O O . PHE A 240 ? 0.2201 0.1578 0.1825 0.0233 0.0026 -0.0067 230 PHE A O +4057 C CB . PHE A 240 ? 0.2048 0.1571 0.1650 0.0234 0.0030 -0.0032 230 PHE A CB +4058 C CG . PHE A 240 ? 0.2119 0.1620 0.1662 0.0242 0.0019 -0.0080 230 PHE A CG +4059 C CD1 . PHE A 240 ? 0.2234 0.1743 0.1763 0.0216 -0.0008 -0.0099 230 PHE A CD1 +4060 C CD2 . PHE A 240 ? 0.2326 0.1808 0.1827 0.0279 0.0035 -0.0109 230 PHE A CD2 +4061 C CE1 . PHE A 240 ? 0.2288 0.1788 0.1764 0.0219 -0.0023 -0.0149 230 PHE A CE1 +4062 C CE2 . PHE A 240 ? 0.2549 0.2010 0.1989 0.0286 0.0023 -0.0163 230 PHE A CE2 +4063 C CZ . PHE A 240 ? 0.2363 0.1837 0.1792 0.0251 -0.0008 -0.0183 230 PHE A CZ +4073 N N . ILE A 241 ? 0.2163 0.1547 0.1786 0.0169 -0.0014 -0.0090 231 ILE A N +4074 C CA . ILE A 241 ? 0.2259 0.1559 0.1868 0.0157 -0.0020 -0.0127 231 ILE A CA +4075 C C . ILE A 241 ? 0.2284 0.1579 0.1845 0.0148 -0.0037 -0.0180 231 ILE A C +4076 O O . ILE A 241 ? 0.2310 0.1651 0.1878 0.0116 -0.0060 -0.0187 231 ILE A O +4077 C CB . ILE A 241 ? 0.2237 0.1510 0.1890 0.0115 -0.0031 -0.0111 231 ILE A CB +4078 C CG1 . ILE A 241 ? 0.2556 0.1841 0.2249 0.0129 -0.0015 -0.0060 231 ILE A CG1 +4079 C CG2 . ILE A 241 ? 0.2620 0.1796 0.2260 0.0097 -0.0036 -0.0146 231 ILE A CG2 +4080 C CD1 . ILE A 241 ? 0.2790 0.2071 0.2522 0.0093 -0.0023 -0.0035 231 ILE A CD1 +4092 N N . PRO A 242 ? 0.2342 0.1594 0.1854 0.0178 -0.0029 -0.0221 232 PRO A N +4093 C CA . PRO A 242 ? 0.2355 0.1621 0.1813 0.0172 -0.0047 -0.0276 232 PRO A CA +4094 C C . PRO A 242 ? 0.2713 0.1943 0.2185 0.0114 -0.0077 -0.0312 232 PRO A C +4095 O O . PRO A 242 ? 0.2642 0.1787 0.2142 0.0088 -0.0076 -0.0316 232 PRO A O +4096 C CB . PRO A 242 ? 0.2741 0.1949 0.2145 0.0218 -0.0028 -0.0318 232 PRO A CB +4097 C CG . PRO A 242 ? 0.3058 0.2266 0.2489 0.0260 0.0004 -0.0270 232 PRO A CG +4098 C CD . PRO A 242 ? 0.2538 0.1748 0.2038 0.0228 0.0001 -0.0217 232 PRO A CD +4106 N N . HIS A 243 ? 0.2699 0.1999 0.2151 0.0095 -0.0104 -0.0336 233 HIS A N +4107 C CA . HIS A 243 ? 0.2422 0.1721 0.1892 0.0036 -0.0135 -0.0371 233 HIS A CA +4108 C C . HIS A 243 ? 0.2843 0.2124 0.2251 0.0031 -0.0155 -0.0449 233 HIS A C +4109 O O . HIS A 243 ? 0.2726 0.2068 0.2077 0.0069 -0.0157 -0.0466 233 HIS A O +4110 C CB . HIS A 243 ? 0.2439 0.1849 0.1940 0.0019 -0.0154 -0.0339 233 HIS A CB +4111 C CG . HIS A 243 ? 0.2390 0.1823 0.1926 -0.0043 -0.0184 -0.0363 233 HIS A CG +4112 N ND1 . HIS A 243 ? 0.2697 0.2133 0.2204 -0.0074 -0.0212 -0.0430 233 HIS A ND1 +4113 C CD2 . HIS A 243 ? 0.2398 0.1867 0.1998 -0.0080 -0.0191 -0.0331 233 HIS A CD2 +4114 C CE1 . HIS A 243 ? 0.2661 0.2136 0.2220 -0.0132 -0.0235 -0.0434 233 HIS A CE1 +4115 N NE2 . HIS A 243 ? 0.2578 0.2071 0.2193 -0.0135 -0.0220 -0.0373 233 HIS A NE2 +4123 N N . PRO A 244 ? 0.2828 0.2020 0.2240 -0.0015 -0.0169 -0.0500 234 PRO A N +4124 C CA . PRO A 244 ? 0.3008 0.2164 0.2356 -0.0019 -0.0186 -0.0586 234 PRO A CA +4125 C C . PRO A 244 ? 0.2836 0.2114 0.2153 -0.0034 -0.0222 -0.0621 234 PRO A C +4126 O O . PRO A 244 ? 0.3139 0.2414 0.2387 -0.0020 -0.0235 -0.0689 234 PRO A O +4127 C CB . PRO A 244 ? 0.3579 0.2607 0.2957 -0.0079 -0.0194 -0.0621 234 PRO A CB +4128 C CG . PRO A 244 ? 0.3932 0.2985 0.3394 -0.0121 -0.0192 -0.0555 234 PRO A CG +4129 C CD . PRO A 244 ? 0.2799 0.1914 0.2275 -0.0064 -0.0166 -0.0479 234 PRO A CD +4137 N N . ASP A 245 ? 0.2844 0.2231 0.2208 -0.0060 -0.0241 -0.0582 235 ASP A N +4138 C CA . ASP A 245 ? 0.3068 0.2583 0.2409 -0.0071 -0.0279 -0.0610 235 ASP A CA +4139 C C . ASP A 245 ? 0.2986 0.2606 0.2297 -0.0008 -0.0269 -0.0557 235 ASP A C +4140 O O . ASP A 245 ? 0.3158 0.2898 0.2480 -0.0012 -0.0294 -0.0540 235 ASP A O +4141 C CB . ASP A 245 ? 0.3117 0.2690 0.2530 -0.0140 -0.0308 -0.0606 235 ASP A CB +4142 C CG . ASP A 245 ? 0.3483 0.2952 0.2926 -0.0212 -0.0319 -0.0658 235 ASP A CG +4143 O OD1 . ASP A 245 ? 0.4434 0.3826 0.3820 -0.0218 -0.0327 -0.0733 235 ASP A OD1 +4144 O OD2 . ASP A 245 ? 0.4094 0.3556 0.3611 -0.0262 -0.0318 -0.0627 235 ASP A OD2 +4149 N N . THR A 246 ? 0.2732 0.2312 0.2008 0.0049 -0.0232 -0.0530 236 THR A N +4150 C CA . THR A 246 ? 0.2542 0.2205 0.1790 0.0106 -0.0216 -0.0475 236 THR A CA +4151 C C . THR A 246 ? 0.2637 0.2284 0.1805 0.0159 -0.0194 -0.0498 236 THR A C +4152 O O . THR A 246 ? 0.2823 0.2374 0.1968 0.0160 -0.0182 -0.0548 236 THR A O +4153 C CB . THR A 246 ? 0.2565 0.2213 0.1873 0.0120 -0.0186 -0.0394 236 THR A CB +4154 O OG1 . THR A 246 ? 0.2595 0.2147 0.1904 0.0140 -0.0151 -0.0389 236 THR A OG1 +4155 C CG2 . THR A 246 ? 0.2351 0.2008 0.1739 0.0072 -0.0201 -0.0369 236 THR A CG2 +4163 N N . PRO A 247 ? 0.2630 0.2363 0.1754 0.0208 -0.0182 -0.0459 237 PRO A N +4164 C CA . PRO A 247 ? 0.2751 0.2486 0.1800 0.0262 -0.0155 -0.0475 237 PRO A CA +4165 C C . PRO A 247 ? 0.2657 0.2310 0.1727 0.0287 -0.0111 -0.0452 237 PRO A C +4166 O O . PRO A 247 ? 0.2839 0.2477 0.1850 0.0329 -0.0089 -0.0483 237 PRO A O +4167 C CB . PRO A 247 ? 0.2993 0.2845 0.2008 0.0300 -0.0150 -0.0416 237 PRO A CB +4168 C CG . PRO A 247 ? 0.2750 0.2670 0.1798 0.0268 -0.0191 -0.0403 237 PRO A CG +4169 C CD . PRO A 247 ? 0.2695 0.2537 0.1830 0.0217 -0.0196 -0.0404 237 PRO A CD +4177 N N . LEU A 248 ? 0.2583 0.2191 0.1733 0.0266 -0.0099 -0.0402 238 LEU A N +4178 C CA . LEU A 248 ? 0.2540 0.2085 0.1720 0.0289 -0.0061 -0.0374 238 LEU A CA +4179 C C . LEU A 248 ? 0.2679 0.2105 0.1883 0.0267 -0.0062 -0.0418 238 LEU A C +4180 O O . LEU A 248 ? 0.2657 0.2029 0.1897 0.0284 -0.0035 -0.0388 238 LEU A O +4181 C CB . LEU A 248 ? 0.2485 0.2061 0.1731 0.0284 -0.0046 -0.0291 238 LEU A CB +4182 C CG . LEU A 248 ? 0.2478 0.2153 0.1704 0.0305 -0.0041 -0.0239 238 LEU A CG +4183 C CD1 . LEU A 248 ? 0.2568 0.2249 0.1862 0.0295 -0.0025 -0.0167 238 LEU A CD1 +4184 C CD2 . LEU A 248 ? 0.2610 0.2334 0.1763 0.0355 -0.0016 -0.0244 238 LEU A CD2 +4196 N N . ALA A 249 ? 0.2745 0.2127 0.1927 0.0232 -0.0093 -0.0486 239 ALA A N +4197 C CA . ALA A 249 ? 0.2884 0.2138 0.2092 0.0202 -0.0096 -0.0524 239 ALA A CA +4198 C C . ALA A 249 ? 0.2949 0.2115 0.2139 0.0253 -0.0060 -0.0533 239 ALA A C +4199 O O . ALA A 249 ? 0.3016 0.2087 0.2252 0.0241 -0.0050 -0.0518 239 ALA A O +4200 C CB . ALA A 249 ? 0.3205 0.2429 0.2373 0.0162 -0.0132 -0.0612 239 ALA A CB +4206 N N . ASN A 250 ? 0.3044 0.2243 0.2170 0.0311 -0.0039 -0.0554 240 ASN A N +4207 C CA . ASN A 250 ? 0.3103 0.2222 0.2202 0.0367 -0.0006 -0.0578 240 ASN A CA +4208 C C . ASN A 250 ? 0.2901 0.2082 0.2029 0.0418 0.0034 -0.0504 240 ASN A C +4209 O O . ASN A 250 ? 0.3225 0.2372 0.2334 0.0476 0.0066 -0.0515 240 ASN A O +4210 C CB . ASN A 250 ? 0.3305 0.2416 0.2308 0.0400 -0.0008 -0.0665 240 ASN A CB +4211 C CG . ASN A 250 ? 0.5514 0.4555 0.4493 0.0342 -0.0050 -0.0746 240 ASN A CG +4212 O OD1 . ASN A 250 ? 0.5513 0.4441 0.4538 0.0296 -0.0062 -0.0757 240 ASN A OD1 +4213 N ND2 . ASN A 250 ? 0.6371 0.5487 0.5279 0.0341 -0.0074 -0.0801 240 ASN A ND2 +4220 N N . GLU A 251 ? 0.2731 0.2002 0.1910 0.0398 0.0033 -0.0431 241 GLU A N +4221 C CA . GLU A 251 ? 0.2726 0.2064 0.1941 0.0434 0.0067 -0.0361 241 GLU A CA +4222 C C . GLU A 251 ? 0.2608 0.1882 0.1893 0.0431 0.0079 -0.0325 241 GLU A C +4223 O O . GLU A 251 ? 0.2824 0.2010 0.2137 0.0393 0.0059 -0.0338 241 GLU A O +4224 C CB . GLU A 251 ? 0.2658 0.2105 0.1895 0.0410 0.0061 -0.0302 241 GLU A CB +4225 C CG . GLU A 251 ? 0.3050 0.2570 0.2213 0.0421 0.0051 -0.0327 241 GLU A CG +4226 C CD . GLU A 251 ? 0.4247 0.3820 0.3352 0.0484 0.0086 -0.0334 241 GLU A CD +4227 O OE1 . GLU A 251 ? 0.3692 0.3301 0.2831 0.0512 0.0122 -0.0285 241 GLU A OE1 +4228 O OE2 . GLU A 251 ? 0.6217 0.5808 0.5241 0.0504 0.0079 -0.0390 241 GLU A OE2 +4235 N N . LYS A 252 ? 0.2592 0.1922 0.1907 0.0470 0.0111 -0.0276 242 LYS A N +4236 C CA . LYS A 252 ? 0.2522 0.1817 0.1903 0.0474 0.0121 -0.0236 242 LYS A CA +4237 C C . LYS A 252 ? 0.2544 0.1851 0.1985 0.0413 0.0097 -0.0192 242 LYS A C +4238 O O . LYS A 252 ? 0.2632 0.2010 0.2083 0.0382 0.0086 -0.0167 242 LYS A O +4239 C CB . LYS A 252 ? 0.2519 0.1906 0.1926 0.0521 0.0156 -0.0189 242 LYS A CB +4240 C CG . LYS A 252 ? 0.2913 0.2295 0.2272 0.0593 0.0186 -0.0224 242 LYS A CG +4241 C CD . LYS A 252 ? 0.3196 0.2701 0.2594 0.0632 0.0221 -0.0169 242 LYS A CD +4242 C CE . LYS A 252 ? 0.3989 0.3500 0.3352 0.0716 0.0256 -0.0198 242 LYS A CE +4243 N NZ . LYS A 252 ? 0.4741 0.4398 0.4148 0.0748 0.0291 -0.0141 242 LYS A NZ +4257 N N . LYS A 253 ? 0.2491 0.1722 0.1970 0.0399 0.0091 -0.0183 243 LYS A N +4258 C CA . LYS A 253 ? 0.2354 0.1604 0.1893 0.0352 0.0075 -0.0136 243 LYS A CA +4259 C C . LYS A 253 ? 0.2271 0.1615 0.1857 0.0369 0.0092 -0.0078 243 LYS A C +4260 O O . LYS A 253 ? 0.2469 0.1839 0.2058 0.0418 0.0117 -0.0067 243 LYS A O +4261 C CB . LYS A 253 ? 0.2665 0.1809 0.2223 0.0339 0.0068 -0.0139 243 LYS A CB +4262 C CG . LYS A 253 ? 0.2805 0.1962 0.2413 0.0289 0.0051 -0.0101 243 LYS A CG +4263 C CD . LYS A 253 ? 0.3456 0.2507 0.3080 0.0277 0.0048 -0.0095 243 LYS A CD +4264 C CE . LYS A 253 ? 0.3670 0.2617 0.3257 0.0256 0.0038 -0.0152 243 LYS A CE +4265 N NZ . LYS A 253 ? 0.3471 0.2308 0.3079 0.0234 0.0037 -0.0137 243 LYS A NZ +4279 N N . GLY A 254 ? 0.2265 0.1662 0.1890 0.0328 0.0079 -0.0044 244 GLY A N +4280 C CA . GLY A 254 ? 0.2272 0.1750 0.1947 0.0332 0.0090 0.0005 244 GLY A CA +4281 C C . GLY A 254 ? 0.2112 0.1572 0.1823 0.0352 0.0096 0.0028 244 GLY A C +4282 O O . GLY A 254 ? 0.2608 0.1986 0.2316 0.0347 0.0087 0.0019 244 GLY A O +4286 N N . ASP A 255 ? 0.2158 0.1700 0.1904 0.0376 0.0113 0.0061 245 ASP A N +4287 C CA . ASP A 255 ? 0.2045 0.1593 0.1825 0.0408 0.0120 0.0088 245 ASP A CA +4288 C C . ASP A 255 ? 0.2245 0.1827 0.2070 0.0368 0.0100 0.0120 245 ASP A C +4289 O O . ASP A 255 ? 0.2119 0.1777 0.1972 0.0334 0.0094 0.0136 245 ASP A O +4290 C CB . ASP A 255 ? 0.2297 0.1941 0.2098 0.0453 0.0145 0.0107 245 ASP A CB +4291 C CG . ASP A 255 ? 0.2709 0.2373 0.2544 0.0499 0.0153 0.0136 245 ASP A CG +4292 O OD1 . ASP A 255 ? 0.2947 0.2525 0.2754 0.0547 0.0163 0.0121 245 ASP A OD1 +4293 O OD2 . ASP A 255 ? 0.2705 0.2471 0.2594 0.0486 0.0149 0.0173 245 ASP A OD2 +4298 N N . PHE A 256 ? 0.2154 0.1679 0.1984 0.0373 0.0093 0.0132 246 PHE A N +4299 C CA . PHE A 256 ? 0.1986 0.1548 0.1850 0.0340 0.0075 0.0161 246 PHE A CA +4300 C C . PHE A 256 ? 0.1993 0.1677 0.1904 0.0348 0.0076 0.0193 246 PHE A C +4301 O O . PHE A 256 ? 0.1943 0.1687 0.1879 0.0306 0.0062 0.0200 246 PHE A O +4302 C CB . PHE A 256 ? 0.2224 0.1705 0.2081 0.0352 0.0072 0.0176 246 PHE A CB +4303 C CG . PHE A 256 ? 0.2130 0.1656 0.2014 0.0324 0.0056 0.0209 246 PHE A CG +4304 C CD1 . PHE A 256 ? 0.2265 0.1792 0.2148 0.0271 0.0039 0.0199 246 PHE A CD1 +4305 C CD2 . PHE A 256 ? 0.2440 0.2020 0.2349 0.0357 0.0057 0.0250 246 PHE A CD2 +4306 C CE1 . PHE A 256 ? 0.2444 0.2016 0.2345 0.0249 0.0026 0.0225 246 PHE A CE1 +4307 C CE2 . PHE A 256 ? 0.2343 0.1970 0.2268 0.0335 0.0042 0.0279 246 PHE A CE2 +4308 C CZ . PHE A 256 ? 0.2331 0.1956 0.2251 0.0280 0.0027 0.0264 246 PHE A CZ +4318 N N . THR A 257 ? 0.2103 0.1830 0.2030 0.0401 0.0093 0.0210 247 THR A N +4319 C CA . THR A 257 ? 0.1946 0.1807 0.1926 0.0405 0.0092 0.0240 247 THR A CA +4320 C C . THR A 257 ? 0.2036 0.1973 0.2036 0.0364 0.0093 0.0232 247 THR A C +4321 O O . THR A 257 ? 0.1899 0.1915 0.1938 0.0326 0.0078 0.0244 247 THR A O +4322 C CB . THR A 257 ? 0.2176 0.2079 0.2171 0.0476 0.0111 0.0261 247 THR A CB +4323 O OG1 . THR A 257 ? 0.2647 0.2467 0.2624 0.0512 0.0109 0.0276 247 THR A OG1 +4324 C CG2 . THR A 257 ? 0.2499 0.2562 0.2556 0.0478 0.0107 0.0292 247 THR A CG2 +4332 N N . LEU A 258 ? 0.1937 0.1852 0.1911 0.0373 0.0111 0.0212 248 LEU A N +4333 C CA . LEU A 258 ? 0.1867 0.1841 0.1856 0.0334 0.0115 0.0212 248 LEU A CA +4334 C C . LEU A 258 ? 0.1850 0.1788 0.1836 0.0273 0.0091 0.0203 248 LEU A C +4335 O O . LEU A 258 ? 0.1790 0.1788 0.1810 0.0232 0.0086 0.0213 248 LEU A O +4336 C CB . LEU A 258 ? 0.2084 0.2031 0.2031 0.0359 0.0139 0.0194 248 LEU A CB +4337 C CG . LEU A 258 ? 0.2233 0.2246 0.2194 0.0328 0.0150 0.0206 248 LEU A CG +4338 C CD1 . LEU A 258 ? 0.2360 0.2502 0.2385 0.0325 0.0163 0.0238 248 LEU A CD1 +4339 C CD2 . LEU A 258 ? 0.2386 0.2371 0.2290 0.0362 0.0173 0.0188 248 LEU A CD2 +4351 N N . THR A 259 ? 0.1839 0.1681 0.1786 0.0266 0.0078 0.0183 249 THR A N +4352 C CA . THR A 259 ? 0.1731 0.1546 0.1675 0.0217 0.0058 0.0173 249 THR A CA +4353 C C . THR A 259 ? 0.1816 0.1685 0.1799 0.0194 0.0041 0.0187 249 THR A C +4354 O O . THR A 259 ? 0.1833 0.1723 0.1831 0.0153 0.0029 0.0183 249 THR A O +4355 C CB . THR A 259 ? 0.1866 0.1584 0.1767 0.0214 0.0048 0.0150 249 THR A CB +4356 O OG1 . THR A 259 ? 0.2054 0.1729 0.1915 0.0237 0.0061 0.0130 249 THR A OG1 +4357 C CG2 . THR A 259 ? 0.1954 0.1656 0.1852 0.0172 0.0030 0.0139 249 THR A CG2 +4365 N N . LEU A 260 ? 0.1723 0.1609 0.1716 0.0221 0.0038 0.0203 250 LEU A N +4366 C CA A LEU A 260 ? 0.1782 0.1737 0.1807 0.0204 0.0021 0.0218 250 LEU A CA +4367 C CA B LEU A 260 ? 0.1686 0.1640 0.1710 0.0204 0.0021 0.0218 250 LEU A CA +4368 C C . LEU A 260 ? 0.1679 0.1738 0.1750 0.0183 0.0020 0.0224 250 LEU A C +4369 O O . LEU A 260 ? 0.1686 0.1788 0.1778 0.0144 0.0002 0.0217 250 LEU A O +4370 C CB A LEU A 260 ? 0.2100 0.2073 0.2130 0.0248 0.0022 0.0245 250 LEU A CB +4371 C CB B LEU A 260 ? 0.1898 0.1854 0.1921 0.0249 0.0023 0.0242 250 LEU A CB +4372 C CG A LEU A 260 ? 0.1881 0.1778 0.1880 0.0258 0.0016 0.0253 250 LEU A CG +4373 C CG B LEU A 260 ? 0.1694 0.1708 0.1732 0.0244 0.0004 0.0262 250 LEU A CG +4374 C CD1 A LEU A 260 ? 0.2349 0.2292 0.2364 0.0305 0.0018 0.0290 250 LEU A CD1 +4375 C CD1 B LEU A 260 ? 0.1839 0.1808 0.1855 0.0205 -0.0010 0.0247 250 LEU A CD1 +4376 C CD2 A LEU A 260 ? 0.1733 0.1636 0.1727 0.0213 -0.0003 0.0245 250 LEU A CD2 +4377 C CD2 B LEU A 260 ? 0.2279 0.2277 0.2311 0.0300 0.0013 0.0294 250 LEU A CD2 +4400 N N . LYS A 261 ? 0.1652 0.1757 0.1742 0.0206 0.0041 0.0235 251 LYS A N +4401 C CA . LYS A 261 ? 0.1697 0.1905 0.1837 0.0178 0.0042 0.0243 251 LYS A CA +4402 C C . LYS A 261 ? 0.1624 0.1798 0.1763 0.0123 0.0040 0.0227 251 LYS A C +4403 O O . LYS A 261 ? 0.1778 0.2010 0.1957 0.0077 0.0029 0.0226 251 LYS A O +4404 C CB . LYS A 261 ? 0.1759 0.2030 0.1919 0.0220 0.0070 0.0262 251 LYS A CB +4405 C CG . LYS A 261 ? 0.1837 0.2160 0.2011 0.0278 0.0071 0.0282 251 LYS A CG +4406 C CD . LYS A 261 ? 0.2458 0.2832 0.2643 0.0334 0.0101 0.0297 251 LYS A CD +4407 C CE . LYS A 261 ? 0.2392 0.2903 0.2639 0.0308 0.0111 0.0312 251 LYS A CE +4408 N NZ . LYS A 261 ? 0.2158 0.2756 0.2427 0.0374 0.0141 0.0332 251 LYS A NZ +4422 N N . MET A 262 ? 0.1708 0.1786 0.1800 0.0126 0.0047 0.0215 252 MET A N +4423 C CA . MET A 262 ? 0.1718 0.1751 0.1802 0.0082 0.0044 0.0204 252 MET A CA +4424 C C . MET A 262 ? 0.1831 0.1841 0.1917 0.0049 0.0017 0.0184 252 MET A C +4425 O O . MET A 262 ? 0.1789 0.1799 0.1894 0.0007 0.0011 0.0176 252 MET A O +4426 C CB . MET A 262 ? 0.1754 0.1703 0.1784 0.0102 0.0055 0.0196 252 MET A CB +4427 C CG . MET A 262 ? 0.1840 0.1816 0.1863 0.0127 0.0083 0.0212 252 MET A CG +4428 S SD . MET A 262 ? 0.1873 0.1896 0.1929 0.0085 0.0099 0.0237 252 MET A SD +4429 C CE . MET A 262 ? 0.2052 0.1972 0.2064 0.0065 0.0090 0.0227 252 MET A CE +4439 N N . VAL A 263 ? 0.1664 0.1647 0.1727 0.0067 0.0004 0.0175 253 VAL A N +4440 C CA . VAL A 263 ? 0.1734 0.1716 0.1797 0.0041 -0.0019 0.0157 253 VAL A CA +4441 C C . VAL A 263 ? 0.1648 0.1722 0.1755 0.0016 -0.0032 0.0157 253 VAL A C +4442 O O . VAL A 263 ? 0.1653 0.1728 0.1770 -0.0022 -0.0045 0.0134 253 VAL A O +4443 C CB . VAL A 263 ? 0.1789 0.1743 0.1823 0.0067 -0.0025 0.0159 253 VAL A CB +4444 C CG1 . VAL A 263 ? 0.1812 0.1793 0.1846 0.0047 -0.0046 0.0145 253 VAL A CG1 +4445 C CG2 . VAL A 263 ? 0.1906 0.1770 0.1900 0.0077 -0.0018 0.0150 253 VAL A CG2 +4455 N N . ALA A 264 ? 0.1581 0.1736 0.1714 0.0040 -0.0028 0.0179 254 ALA A N +4456 C CA . ALA A 264 ? 0.1612 0.1876 0.1790 0.0016 -0.0044 0.0178 254 ALA A CA +4457 C C . ALA A 264 ? 0.1669 0.1955 0.1886 -0.0035 -0.0042 0.0168 254 ALA A C +4458 O O . ALA A 264 ? 0.1623 0.1944 0.1863 -0.0081 -0.0062 0.0144 254 ALA A O +4459 C CB . ALA A 264 ? 0.1719 0.2075 0.1923 0.0059 -0.0038 0.0209 254 ALA A CB +4465 N N . LEU A 265 ? 0.1652 0.1924 0.1878 -0.0031 -0.0016 0.0187 255 LEU A N +4466 C CA . LEU A 265 ? 0.1616 0.1904 0.1881 -0.0083 -0.0009 0.0187 255 LEU A CA +4467 C C . LEU A 265 ? 0.1648 0.1831 0.1888 -0.0121 -0.0017 0.0160 255 LEU A C +4468 O O . LEU A 265 ? 0.1779 0.1970 0.2053 -0.0176 -0.0025 0.0146 255 LEU A O +4469 C CB . LEU A 265 ? 0.1769 0.2070 0.2042 -0.0064 0.0025 0.0219 255 LEU A CB +4470 C CG . LEU A 265 ? 0.1690 0.2119 0.2004 -0.0032 0.0035 0.0244 255 LEU A CG +4471 C CD1 . LEU A 265 ? 0.2024 0.2447 0.2321 0.0008 0.0071 0.0269 255 LEU A CD1 +4472 C CD2 . LEU A 265 ? 0.1808 0.2359 0.2199 -0.0087 0.0027 0.0248 255 LEU A CD2 +4484 N N . THR A 266 ? 0.1687 0.1774 0.1873 -0.0094 -0.0017 0.0151 256 THR A N +4485 C CA . THR A 266 ? 0.1673 0.1666 0.1834 -0.0118 -0.0026 0.0125 256 THR A CA +4486 C C . THR A 266 ? 0.1828 0.1845 0.2001 -0.0148 -0.0053 0.0088 256 THR A C +4487 O O . THR A 266 ? 0.1840 0.1816 0.2024 -0.0189 -0.0060 0.0065 256 THR A O +4488 C CB . THR A 266 ? 0.1720 0.1630 0.1825 -0.0079 -0.0022 0.0122 256 THR A CB +4489 O OG1 . THR A 266 ? 0.1834 0.1721 0.1925 -0.0057 0.0001 0.0149 256 THR A OG1 +4490 C CG2 . THR A 266 ? 0.2047 0.1873 0.2130 -0.0095 -0.0031 0.0097 256 THR A CG2 +4498 N N . ARG A 267 ? 0.1687 0.1768 0.1853 -0.0126 -0.0069 0.0082 257 ARG A N +4499 C CA . ARG A 267 ? 0.1658 0.1781 0.1829 -0.0152 -0.0095 0.0047 257 ARG A CA +4500 C C . ARG A 267 ? 0.1733 0.1929 0.1961 -0.0204 -0.0105 0.0036 257 ARG A C +4501 O O . ARG A 267 ? 0.1766 0.1948 0.1999 -0.0246 -0.0124 -0.0006 257 ARG A O +4502 C CB . ARG A 267 ? 0.1692 0.1888 0.1848 -0.0115 -0.0107 0.0056 257 ARG A CB +4503 C CG . ARG A 267 ? 0.1792 0.2071 0.1953 -0.0136 -0.0137 0.0024 257 ARG A CG +4504 C CD . ARG A 267 ? 0.1720 0.1934 0.1848 -0.0157 -0.0149 -0.0026 257 ARG A CD +4505 N NE . ARG A 267 ? 0.1664 0.1821 0.1743 -0.0118 -0.0141 -0.0019 257 ARG A NE +4506 C CZ . ARG A 267 ? 0.1689 0.1761 0.1736 -0.0117 -0.0137 -0.0047 257 ARG A CZ +4507 N NH1 . ARG A 267 ? 0.1854 0.1880 0.1907 -0.0152 -0.0145 -0.0089 257 ARG A NH1 +4508 N NH2 . ARG A 267 ? 0.1754 0.1791 0.1767 -0.0083 -0.0128 -0.0034 257 ARG A NH2 +4522 N N . ILE A 268 ? 0.1731 0.2014 0.2002 -0.0203 -0.0095 0.0069 258 ILE A N +4523 C CA . ILE A 268 ? 0.1822 0.2192 0.2158 -0.0260 -0.0104 0.0061 258 ILE A CA +4524 C C . ILE A 268 ? 0.1971 0.2246 0.2320 -0.0315 -0.0095 0.0048 258 ILE A C +4525 O O . ILE A 268 ? 0.2034 0.2319 0.2414 -0.0376 -0.0113 0.0012 258 ILE A O +4526 C CB . ILE A 268 ? 0.1741 0.2228 0.2123 -0.0239 -0.0088 0.0106 258 ILE A CB +4527 C CG1 . ILE A 268 ? 0.1900 0.2483 0.2273 -0.0188 -0.0103 0.0117 258 ILE A CG1 +4528 C CG2 . ILE A 268 ? 0.2031 0.2615 0.2491 -0.0305 -0.0092 0.0106 258 ILE A CG2 +4529 C CD1 . ILE A 268 ? 0.1983 0.2643 0.2379 -0.0136 -0.0082 0.0164 258 ILE A CD1 +4541 N N . LEU A 269 ? 0.1865 0.2044 0.2190 -0.0296 -0.0066 0.0076 259 LEU A N +4542 C CA . LEU A 269 ? 0.1929 0.2009 0.2263 -0.0340 -0.0053 0.0077 259 LEU A CA +4543 C C . LEU A 269 ? 0.2149 0.2113 0.2446 -0.0354 -0.0069 0.0029 259 LEU A C +4544 O O . LEU A 269 ? 0.2288 0.2187 0.2607 -0.0408 -0.0070 0.0012 259 LEU A O +4545 C CB . LEU A 269 ? 0.2132 0.2155 0.2441 -0.0305 -0.0019 0.0123 259 LEU A CB +4546 C CG . LEU A 269 ? 0.2087 0.2212 0.2435 -0.0298 0.0005 0.0170 259 LEU A CG +4547 C CD1 . LEU A 269 ? 0.2545 0.2616 0.2845 -0.0246 0.0034 0.0205 259 LEU A CD1 +4548 C CD2 . LEU A 269 ? 0.2662 0.2819 0.3073 -0.0367 0.0015 0.0185 259 LEU A CD2 +4560 N N . LEU A 270 ? 0.2032 0.1968 0.2276 -0.0306 -0.0080 0.0009 260 LEU A N +4561 C CA . LEU A 270 ? 0.2214 0.2043 0.2415 -0.0301 -0.0090 -0.0032 260 LEU A CA +4562 C C . LEU A 270 ? 0.1928 0.1822 0.2108 -0.0286 -0.0117 -0.0072 260 LEU A C +4563 O O . LEU A 270 ? 0.1953 0.1842 0.2091 -0.0238 -0.0117 -0.0070 260 LEU A O +4564 C CB . LEU A 270 ? 0.2001 0.1740 0.2155 -0.0249 -0.0072 -0.0008 260 LEU A CB +4565 C CG . LEU A 270 ? 0.2273 0.1942 0.2434 -0.0258 -0.0045 0.0033 260 LEU A CG +4566 C CD1 . LEU A 270 ? 0.2645 0.2254 0.2757 -0.0201 -0.0033 0.0053 260 LEU A CD1 +4567 C CD2 . LEU A 270 ? 0.2738 0.2318 0.2919 -0.0308 -0.0045 0.0016 260 LEU A CD2 +4579 N N . PRO A 271 ? 0.1956 0.1914 0.2165 -0.0331 -0.0140 -0.0110 261 PRO A N +4580 C CA . PRO A 271 ? 0.2040 0.2096 0.2229 -0.0315 -0.0166 -0.0137 261 PRO A CA +4581 C C . PRO A 271 ? 0.1929 0.1935 0.2060 -0.0282 -0.0173 -0.0174 261 PRO A C +4582 O O . PRO A 271 ? 0.2054 0.2137 0.2158 -0.0249 -0.0183 -0.0172 261 PRO A O +4583 C CB . PRO A 271 ? 0.2026 0.2156 0.2259 -0.0379 -0.0192 -0.0178 261 PRO A CB +4584 C CG . PRO A 271 ? 0.2327 0.2457 0.2621 -0.0421 -0.0175 -0.0143 261 PRO A CG +4585 C CD . PRO A 271 ? 0.2205 0.2184 0.2472 -0.0401 -0.0145 -0.0119 261 PRO A CD +4593 N N . ASP A 272 ? 0.2201 0.2085 0.2309 -0.0287 -0.0167 -0.0204 262 ASP A N +4594 C CA . ASP A 272 ? 0.2211 0.2059 0.2264 -0.0251 -0.0173 -0.0241 262 ASP A CA +4595 C C . ASP A 272 ? 0.2418 0.2186 0.2443 -0.0202 -0.0149 -0.0210 262 ASP A C +4596 O O . ASP A 272 ? 0.2244 0.1970 0.2230 -0.0172 -0.0148 -0.0238 262 ASP A O +4597 C CB . ASP A 272 ? 0.2582 0.2382 0.2624 -0.0284 -0.0191 -0.0316 262 ASP A CB +4598 C CG . ASP A 272 ? 0.2818 0.2491 0.2884 -0.0321 -0.0181 -0.0325 262 ASP A CG +4599 O OD1 . ASP A 272 ? 0.2748 0.2349 0.2819 -0.0303 -0.0156 -0.0275 262 ASP A OD1 +4600 O OD2 . ASP A 272 ? 0.2876 0.2522 0.2953 -0.0369 -0.0198 -0.0381 262 ASP A OD2 +4605 N N . SER A 273 ? 0.2022 0.1780 0.2063 -0.0190 -0.0131 -0.0154 263 SER A N +4606 C CA . SER A 273 ? 0.2026 0.1725 0.2039 -0.0146 -0.0113 -0.0126 263 SER A CA +4607 C C . SER A 273 ? 0.1934 0.1697 0.1921 -0.0107 -0.0115 -0.0116 263 SER A C +4608 O O . SER A 273 ? 0.1968 0.1822 0.1958 -0.0109 -0.0125 -0.0112 263 SER A O +4609 C CB . SER A 273 ? 0.2109 0.1788 0.2143 -0.0145 -0.0094 -0.0073 263 SER A CB +4610 O OG . SER A 273 ? 0.2435 0.2207 0.2491 -0.0146 -0.0093 -0.0043 263 SER A OG +4616 N N . ASN A 274 ? 0.1814 0.1533 0.1776 -0.0073 -0.0104 -0.0108 264 ASN A N +4617 C CA . ASN A 274 ? 0.1787 0.1555 0.1729 -0.0043 -0.0102 -0.0090 264 ASN A CA +4618 C C . ASN A 274 ? 0.1783 0.1548 0.1734 -0.0033 -0.0090 -0.0044 264 ASN A C +4619 O O . ASN A 274 ? 0.1962 0.1669 0.1912 -0.0025 -0.0080 -0.0029 264 ASN A O +4620 C CB . ASN A 274 ? 0.1866 0.1606 0.1781 -0.0015 -0.0099 -0.0112 264 ASN A CB +4621 C CG . ASN A 274 ? 0.1889 0.1661 0.1786 -0.0014 -0.0109 -0.0159 264 ASN A CG +4622 O OD1 . ASN A 274 ? 0.2016 0.1861 0.1910 -0.0028 -0.0120 -0.0166 264 ASN A OD1 +4623 N ND2 . ASN A 274 ? 0.2187 0.1908 0.2066 0.0006 -0.0106 -0.0191 264 ASN A ND2 +4630 N N . ILE A 275 ? 0.1646 0.1471 0.1602 -0.0029 -0.0090 -0.0020 265 ILE A N +4631 C CA . ILE A 275 ? 0.1617 0.1438 0.1580 -0.0018 -0.0079 0.0018 265 ILE A CA +4632 C C . ILE A 275 ? 0.1661 0.1503 0.1607 0.0002 -0.0077 0.0036 265 ILE A C +4633 O O . ILE A 275 ? 0.1706 0.1603 0.1652 0.0004 -0.0082 0.0045 265 ILE A O +4634 C CB . ILE A 275 ? 0.1688 0.1556 0.1679 -0.0031 -0.0080 0.0033 265 ILE A CB +4635 C CG1 . ILE A 275 ? 0.1913 0.1763 0.1928 -0.0061 -0.0081 0.0020 265 ILE A CG1 +4636 C CG2 . ILE A 275 ? 0.1949 0.1811 0.1942 -0.0011 -0.0066 0.0068 265 ILE A CG2 +4637 C CD1 . ILE A 275 ? 0.1939 0.1856 0.1993 -0.0081 -0.0082 0.0033 265 ILE A CD1 +4649 N N . PRO A 276 ? 0.1646 0.1449 0.1579 0.0015 -0.0070 0.0042 266 PRO A N +4650 C CA . PRO A 276 ? 0.1736 0.1551 0.1659 0.0024 -0.0066 0.0060 266 PRO A CA +4651 C C . PRO A 276 ? 0.1759 0.1572 0.1688 0.0032 -0.0060 0.0089 266 PRO A C +4652 O O . PRO A 276 ? 0.1799 0.1592 0.1734 0.0036 -0.0054 0.0095 266 PRO A O +4653 C CB . PRO A 276 ? 0.1893 0.1672 0.1806 0.0029 -0.0063 0.0054 266 PRO A CB +4654 C CG . PRO A 276 ? 0.2164 0.1904 0.2078 0.0031 -0.0062 0.0046 266 PRO A CG +4655 C CD . PRO A 276 ? 0.1849 0.1600 0.1775 0.0019 -0.0066 0.0032 266 PRO A CD +4663 N N . ALA A 277 ? 0.1690 0.1519 0.1613 0.0037 -0.0058 0.0109 267 ALA A N +4664 C CA . ALA A 277 ? 0.1609 0.1409 0.1531 0.0051 -0.0049 0.0136 267 ALA A CA +4665 C C . ALA A 277 ? 0.1688 0.1435 0.1599 0.0044 -0.0045 0.0128 267 ALA A C +4666 O O . ALA A 277 ? 0.1848 0.1602 0.1755 0.0032 -0.0046 0.0132 267 ALA A O +4667 C CB . ALA A 277 ? 0.1811 0.1647 0.1730 0.0058 -0.0049 0.0166 267 ALA A CB +4673 N N . THR A 278 ? 0.1765 0.1469 0.1670 0.0049 -0.0042 0.0116 268 THR A N +4674 C CA . THR A 278 ? 0.1785 0.1457 0.1679 0.0040 -0.0044 0.0100 268 THR A CA +4675 C C . THR A 278 ? 0.1824 0.1456 0.1713 0.0033 -0.0041 0.0108 268 THR A C +4676 O O . THR A 278 ? 0.1839 0.1443 0.1726 0.0044 -0.0033 0.0127 268 THR A O +4677 C CB . THR A 278 ? 0.1894 0.1543 0.1777 0.0050 -0.0043 0.0086 268 THR A CB +4678 O OG1 . THR A 278 ? 0.2030 0.1655 0.1908 0.0067 -0.0033 0.0094 268 THR A OG1 +4679 C CG2 A THR A 278 ? 0.1960 0.1633 0.1851 0.0050 -0.0045 0.0080 268 THR A CG2 +4687 N N . THR A 279 ? 0.1906 0.1533 0.1793 0.0015 -0.0047 0.0092 269 THR A N +4688 C CA . THR A 279 ? 0.2040 0.1623 0.1925 -0.0004 -0.0046 0.0092 269 THR A CA +4689 C C . THR A 279 ? 0.2152 0.1666 0.2019 0.0012 -0.0040 0.0085 269 THR A C +4690 O O . THR A 279 ? 0.2251 0.1710 0.2115 0.0008 -0.0033 0.0097 269 THR A O +4691 C CB . THR A 279 ? 0.2231 0.1833 0.2119 -0.0025 -0.0057 0.0067 269 THR A CB +4692 O OG1 . THR A 279 ? 0.2248 0.1919 0.2150 -0.0026 -0.0062 0.0066 269 THR A OG1 +4693 C CG2 . THR A 279 ? 0.2504 0.2078 0.2401 -0.0060 -0.0058 0.0067 269 THR A CG2 +4701 N N . ALA A 280 ? 0.2055 0.1569 0.1906 0.0034 -0.0040 0.0069 270 ALA A N +4702 C CA . ALA A 280 ? 0.2220 0.1677 0.2048 0.0055 -0.0032 0.0058 270 ALA A CA +4703 C C . ALA A 280 ? 0.2371 0.1811 0.2206 0.0081 -0.0018 0.0085 270 ALA A C +4704 O O . ALA A 280 ? 0.2361 0.1737 0.2181 0.0098 -0.0009 0.0081 270 ALA A O +4705 C CB . ALA A 280 ? 0.2215 0.1696 0.2025 0.0073 -0.0032 0.0041 270 ALA A CB +4711 N N . MET A 281 ? 0.2212 0.1709 0.2068 0.0087 -0.0017 0.0110 271 MET A N +4712 C CA . MET A 281 ? 0.2161 0.1660 0.2026 0.0114 -0.0007 0.0140 271 MET A CA +4713 C C . MET A 281 ? 0.2251 0.1701 0.2116 0.0107 -0.0004 0.0163 271 MET A C +4714 O O . MET A 281 ? 0.2606 0.2011 0.2467 0.0137 0.0007 0.0182 271 MET A O +4715 C CB . MET A 281 ? 0.2155 0.1739 0.2043 0.0115 -0.0011 0.0158 271 MET A CB +4716 C CG . MET A 281 ? 0.2383 0.2009 0.2278 0.0120 -0.0010 0.0145 271 MET A CG +4717 S SD . MET A 281 ? 0.2275 0.1892 0.2166 0.0162 0.0007 0.0150 271 MET A SD +4718 C CE . MET A 281 ? 0.2184 0.1896 0.2113 0.0176 0.0007 0.0180 271 MET A CE +4728 N N . GLY A 282 ? 0.2308 0.1765 0.2179 0.0071 -0.0011 0.0164 272 GLY A N +4729 C CA . GLY A 282 ? 0.2395 0.1802 0.2267 0.0056 -0.0005 0.0190 272 GLY A CA +4730 C C . GLY A 282 ? 0.2609 0.1913 0.2468 0.0045 -0.0002 0.0169 272 GLY A C +4731 O O . GLY A 282 ? 0.2908 0.2139 0.2765 0.0041 0.0008 0.0193 272 GLY A O +4735 N N . THR A 283 ? 0.2462 0.1755 0.2308 0.0038 -0.0009 0.0124 273 THR A N +4736 C CA . THR A 283 ? 0.2455 0.1655 0.2282 0.0026 -0.0010 0.0091 273 THR A CA +4737 C C . THR A 283 ? 0.2765 0.1893 0.2570 0.0075 0.0004 0.0087 273 THR A C +4738 O O . THR A 283 ? 0.3105 0.2127 0.2898 0.0074 0.0011 0.0082 273 THR A O +4739 C CB . THR A 283 ? 0.2422 0.1656 0.2237 0.0009 -0.0025 0.0044 273 THR A CB +4740 O OG1 . THR A 283 ? 0.2673 0.1976 0.2512 -0.0029 -0.0037 0.0047 273 THR A OG1 +4741 C CG2 . THR A 283 ? 0.2755 0.1906 0.2546 -0.0004 -0.0030 -0.0001 273 THR A CG2 +4749 N N . ILE A 284 ? 0.2668 0.1849 0.2469 0.0117 0.0010 0.0091 274 ILE A N +4750 C CA . ILE A 284 ? 0.2844 0.1976 0.2624 0.0168 0.0025 0.0082 274 ILE A CA +4751 C C . ILE A 284 ? 0.2702 0.1789 0.2490 0.0204 0.0039 0.0124 274 ILE A C +4752 O O . ILE A 284 ? 0.3168 0.2168 0.2936 0.0242 0.0053 0.0114 274 ILE A O +4753 C CB . ILE A 284 ? 0.2859 0.2076 0.2635 0.0198 0.0029 0.0073 274 ILE A CB +4754 C CG1 . ILE A 284 ? 0.3039 0.2215 0.2788 0.0249 0.0045 0.0051 274 ILE A CG1 +4755 C CG2 . ILE A 284 ? 0.2727 0.2038 0.2537 0.0209 0.0030 0.0115 274 ILE A CG2 +4756 C CD1 . ILE A 284 ? 0.3379 0.2643 0.3124 0.0271 0.0052 0.0044 274 ILE A CD1 +4768 N N . VAL A 285 ? 0.2528 0.1671 0.2343 0.0200 0.0038 0.0173 275 VAL A N +4769 C CA . VAL A 285 ? 0.2597 0.1717 0.2419 0.0240 0.0050 0.0223 275 VAL A CA +4770 C C . VAL A 285 ? 0.2581 0.1706 0.2417 0.0201 0.0045 0.0263 275 VAL A C +4771 O O . VAL A 285 ? 0.2532 0.1748 0.2382 0.0165 0.0033 0.0264 275 VAL A O +4772 C CB . VAL A 285 ? 0.2641 0.1874 0.2481 0.0283 0.0052 0.0247 275 VAL A CB +4773 C CG1 . VAL A 285 ? 0.3478 0.2729 0.3331 0.0318 0.0058 0.0307 275 VAL A CG1 +4774 C CG2 . VAL A 285 ? 0.3150 0.2376 0.2979 0.0330 0.0064 0.0217 275 VAL A CG2 +4784 N N . PRO A 286 ? 0.2528 0.1561 0.2358 0.0211 0.0057 0.0301 276 PRO A N +4785 C CA . PRO A 286 ? 0.2668 0.1724 0.2511 0.0179 0.0057 0.0352 276 PRO A CA +4786 C C . PRO A 286 ? 0.2728 0.1918 0.2583 0.0204 0.0051 0.0391 276 PRO A C +4787 O O . PRO A 286 ? 0.3225 0.2441 0.3081 0.0261 0.0056 0.0415 276 PRO A O +4788 C CB . PRO A 286 ? 0.3126 0.2041 0.2958 0.0196 0.0074 0.0390 276 PRO A CB +4789 C CG . PRO A 286 ? 0.3513 0.2315 0.3325 0.0219 0.0080 0.0339 276 PRO A CG +4790 C CD . PRO A 286 ? 0.2729 0.1627 0.2540 0.0253 0.0073 0.0301 276 PRO A CD +4798 N N . GLY A 287 ? 0.2558 0.1840 0.2423 0.0163 0.0041 0.0393 277 GLY A N +4799 C CA . GLY A 287 ? 0.2635 0.2049 0.2508 0.0181 0.0032 0.0415 277 GLY A CA +4800 C C . GLY A 287 ? 0.2159 0.1653 0.2041 0.0188 0.0019 0.0370 277 GLY A C +4801 O O . GLY A 287 ? 0.2401 0.2000 0.2294 0.0206 0.0011 0.0381 277 GLY A O +4805 N N . GLY A 288 ? 0.2203 0.1653 0.2083 0.0175 0.0018 0.0321 278 GLY A N +4806 C CA . GLY A 288 ? 0.2253 0.1767 0.2142 0.0182 0.0011 0.0287 278 GLY A CA +4807 C C . GLY A 288 ? 0.1961 0.1576 0.1862 0.0155 -0.0003 0.0276 278 GLY A C +4808 O O . GLY A 288 ? 0.1865 0.1552 0.1780 0.0166 -0.0009 0.0268 278 GLY A O +4812 N N . ARG A 289 ? 0.1995 0.1615 0.1892 0.0118 -0.0008 0.0272 279 ARG A N +4813 C CA A ARG A 289 ? 0.1916 0.1625 0.1820 0.0098 -0.0020 0.0256 279 ARG A CA +4814 C CA B ARG A 289 ? 0.1937 0.1645 0.1840 0.0099 -0.0020 0.0256 279 ARG A CA +4815 C C . ARG A 289 ? 0.1928 0.1722 0.1835 0.0115 -0.0026 0.0286 279 ARG A C +4816 O O . ARG A 289 ? 0.2002 0.1868 0.1918 0.0112 -0.0038 0.0266 279 ARG A O +4817 C CB A ARG A 289 ? 0.1935 0.1642 0.1835 0.0063 -0.0022 0.0244 279 ARG A CB +4818 C CB B ARG A 289 ? 0.1948 0.1654 0.1848 0.0063 -0.0022 0.0244 279 ARG A CB +4819 C CG A ARG A 289 ? 0.2181 0.1829 0.2079 0.0045 -0.0023 0.0210 279 ARG A CG +4820 C CG B ARG A 289 ? 0.2212 0.1865 0.2111 0.0046 -0.0023 0.0208 279 ARG A CG +4821 C CD A ARG A 289 ? 0.3104 0.2787 0.3007 0.0016 -0.0029 0.0188 279 ARG A CD +4822 C CD B ARG A 289 ? 0.2061 0.1716 0.1963 0.0013 -0.0024 0.0201 279 ARG A CD +4823 N NE A ARG A 289 ? 0.3123 0.2807 0.3030 -0.0007 -0.0022 0.0214 279 ARG A NE +4824 N NE B ARG A 289 ? 0.2487 0.2105 0.2389 -0.0000 -0.0014 0.0237 279 ARG A NE +4825 C CZ A ARG A 289 ? 0.5802 0.5517 0.5719 -0.0034 -0.0023 0.0203 279 ARG A CZ +4826 C CZ B ARG A 289 ? 0.5959 0.5590 0.5871 -0.0034 -0.0011 0.0244 279 ARG A CZ +4827 N NH1 A ARG A 289 ? 0.2724 0.2466 0.2645 -0.0037 -0.0033 0.0165 279 ARG A NH1 +4828 N NH1 B ARG A 289 ? 0.5596 0.5284 0.5517 -0.0051 -0.0018 0.0216 279 ARG A NH1 +4829 N NH2 A ARG A 289 ? 0.3426 0.3146 0.3350 -0.0058 -0.0013 0.0234 279 ARG A NH2 +4830 N NH2 B ARG A 289 ? 0.5772 0.5360 0.5687 -0.0050 0.0001 0.0284 279 ARG A NH2 +4857 N N . GLU A 290 ? 0.1978 0.1763 0.1876 0.0132 -0.0019 0.0333 280 GLU A N +4858 C CA . GLU A 290 ? 0.1859 0.1735 0.1755 0.0153 -0.0026 0.0366 280 GLU A CA +4859 C C . GLU A 290 ? 0.2022 0.1948 0.1936 0.0183 -0.0033 0.0362 280 GLU A C +4860 O O . GLU A 290 ? 0.2057 0.2086 0.1978 0.0183 -0.0048 0.0355 280 GLU A O +4861 C CB . GLU A 290 ? 0.2246 0.2082 0.2128 0.0172 -0.0012 0.0427 280 GLU A CB +4862 C CG . GLU A 290 ? 0.2715 0.2529 0.2585 0.0138 -0.0004 0.0441 280 GLU A CG +4863 C CD . GLU A 290 ? 0.4171 0.3863 0.4046 0.0112 0.0009 0.0432 280 GLU A CD +4864 O OE1 . GLU A 290 ? 0.2881 0.2514 0.2763 0.0108 0.0007 0.0389 280 GLU A OE1 +4865 O OE2 . GLU A 290 ? 0.3375 0.3035 0.3244 0.0091 0.0022 0.0468 280 GLU A OE2 +4872 N N . ILE A 291 ? 0.1987 0.1847 0.1909 0.0208 -0.0022 0.0363 281 ILE A N +4873 C CA . ILE A 291 ? 0.2013 0.1931 0.1958 0.0238 -0.0025 0.0361 281 ILE A CA +4874 C C . ILE A 291 ? 0.1957 0.1932 0.1920 0.0204 -0.0037 0.0314 281 ILE A C +4875 O O . ILE A 291 ? 0.1884 0.1959 0.1870 0.0204 -0.0049 0.0310 281 ILE A O +4876 C CB . ILE A 291 ? 0.2039 0.1869 0.1984 0.0273 -0.0006 0.0365 281 ILE A CB +4877 C CG1 . ILE A 291 ? 0.2375 0.2139 0.2305 0.0313 0.0006 0.0414 281 ILE A CG1 +4878 C CG2 . ILE A 291 ? 0.2318 0.2222 0.2291 0.0302 -0.0006 0.0359 281 ILE A CG2 +4879 C CD1 . ILE A 291 ? 0.2850 0.2494 0.2770 0.0345 0.0026 0.0406 281 ILE A CD1 +4891 N N . THR A 292 ? 0.1802 0.1713 0.1756 0.0173 -0.0034 0.0279 282 THR A N +4892 C CA . THR A 292 ? 0.1806 0.1747 0.1774 0.0144 -0.0041 0.0240 282 THR A CA +4893 C C . THR A 292 ? 0.1706 0.1726 0.1677 0.0119 -0.0059 0.0226 282 THR A C +4894 O O . THR A 292 ? 0.1824 0.1900 0.1817 0.0102 -0.0069 0.0204 282 THR A O +4895 C CB . THR A 292 ? 0.1654 0.1511 0.1606 0.0124 -0.0035 0.0212 282 THR A CB +4896 O OG1 . THR A 292 ? 0.1847 0.1633 0.1790 0.0148 -0.0020 0.0217 282 THR A OG1 +4897 C CG2 . THR A 292 ? 0.1770 0.1642 0.1733 0.0102 -0.0039 0.0181 282 THR A CG2 +4905 N N . LEU A 293 ? 0.1761 0.1791 0.1711 0.0115 -0.0063 0.0237 283 LEU A N +4906 C CA . LEU A 293 ? 0.1668 0.1780 0.1613 0.0097 -0.0080 0.0220 283 LEU A CA +4907 C C . LEU A 293 ? 0.1803 0.2020 0.1763 0.0112 -0.0094 0.0235 283 LEU A C +4908 O O . LEU A 293 ? 0.1787 0.2078 0.1746 0.0092 -0.0113 0.0208 283 LEU A O +4909 C CB . LEU A 293 ? 0.1852 0.1960 0.1767 0.0095 -0.0076 0.0236 283 LEU A CB +4910 C CG . LEU A 293 ? 0.1790 0.1834 0.1697 0.0073 -0.0069 0.0210 283 LEU A CG +4911 C CD1 . LEU A 293 ? 0.2064 0.2109 0.1950 0.0071 -0.0059 0.0238 283 LEU A CD1 +4912 C CD2 . LEU A 293 ? 0.1966 0.2032 0.1873 0.0052 -0.0080 0.0159 283 LEU A CD2 +4924 N N . ARG A 294 ? 0.1848 0.2077 0.1822 0.0146 -0.0088 0.0273 284 ARG A N +4925 C CA . ARG A 294 ? 0.1892 0.2237 0.1888 0.0164 -0.0103 0.0289 284 ARG A CA +4926 C C . ARG A 294 ? 0.1954 0.2328 0.1993 0.0155 -0.0104 0.0270 284 ARG A C +4927 O O . ARG A 294 ? 0.2075 0.2560 0.2144 0.0165 -0.0117 0.0279 284 ARG A O +4928 C CB . ARG A 294 ? 0.2101 0.2452 0.2090 0.0217 -0.0094 0.0351 284 ARG A CB +4929 C CG . ARG A 294 ? 0.2328 0.2670 0.2276 0.0224 -0.0092 0.0383 284 ARG A CG +4930 C CD . ARG A 294 ? 0.3701 0.4063 0.3643 0.0282 -0.0086 0.0453 284 ARG A CD +4931 N NE . ARG A 294 ? 0.9112 0.9630 0.9062 0.0300 -0.0110 0.0467 284 ARG A NE +4932 C CZ . ARG A 294 ? 1.1207 1.1789 1.1171 0.0354 -0.0112 0.0516 284 ARG A CZ +4933 N NH1 . ARG A 294 ? 0.6382 0.6875 0.6352 0.0400 -0.0090 0.0556 284 ARG A NH1 +4934 N NH2 . ARG A 294 ? 1.2518 1.3260 1.2490 0.0364 -0.0139 0.0522 284 ARG A NH2 +4948 N N . CYS A 295 ? 0.1828 0.2122 0.1873 0.0133 -0.0091 0.0242 285 CYS A N +4949 C CA . CYS A 295 ? 0.1893 0.2208 0.1977 0.0125 -0.0085 0.0232 285 CYS A CA +4950 C C . CYS A 295 ? 0.1881 0.2169 0.1971 0.0073 -0.0090 0.0188 285 CYS A C +4951 O O . CYS A 295 ? 0.1914 0.2182 0.2026 0.0060 -0.0079 0.0181 285 CYS A O +4952 C CB . CYS A 295 ? 0.1979 0.2217 0.2058 0.0158 -0.0060 0.0250 285 CYS A CB +4953 S SG . CYS A 295 ? 0.2270 0.2516 0.2345 0.0227 -0.0049 0.0301 285 CYS A SG +4959 N N . GLY A 296 ? 0.1795 0.2078 0.1864 0.0047 -0.0105 0.0160 286 GLY A N +4960 C CA . GLY A 296 ? 0.1870 0.2125 0.1944 0.0002 -0.0112 0.0116 286 GLY A CA +4961 C C . GLY A 296 ? 0.1730 0.1895 0.1767 -0.0005 -0.0108 0.0094 286 GLY A C +4962 O O . GLY A 296 ? 0.1729 0.1872 0.1765 -0.0034 -0.0116 0.0056 286 GLY A O +4966 N N . ALA A 297 ? 0.1647 0.1758 0.1656 0.0021 -0.0096 0.0114 287 ALA A N +4967 C CA . ALA A 297 ? 0.1688 0.1735 0.1669 0.0015 -0.0093 0.0094 287 ALA A CA +4968 C C . ALA A 297 ? 0.1739 0.1834 0.1698 0.0012 -0.0106 0.0078 287 ALA A C +4969 O O . ALA A 297 ? 0.1777 0.1949 0.1733 0.0021 -0.0115 0.0094 287 ALA A O +4970 C CB . ALA A 297 ? 0.1719 0.1702 0.1684 0.0036 -0.0077 0.0118 287 ALA A CB +4976 N N . ASN A 298 ? 0.1605 0.1662 0.1546 0.0003 -0.0105 0.0047 288 ASN A N +4977 C CA . ASN A 298 ? 0.1659 0.1763 0.1574 0.0002 -0.0114 0.0023 288 ASN A CA +4978 C C . ASN A 298 ? 0.1668 0.1733 0.1563 0.0010 -0.0103 0.0016 288 ASN A C +4979 O O . ASN A 298 ? 0.1791 0.1894 0.1664 0.0013 -0.0107 -0.0011 288 ASN A O +4980 C CB . ASN A 298 ? 0.1691 0.1818 0.1610 -0.0021 -0.0131 -0.0027 288 ASN A CB +4981 C CG . ASN A 298 ? 0.1704 0.1745 0.1628 -0.0033 -0.0127 -0.0061 288 ASN A CG +4982 O OD1 . ASN A 298 ? 0.1726 0.1704 0.1667 -0.0033 -0.0115 -0.0042 288 ASN A OD1 +4983 N ND2 . ASN A 298 ? 0.1893 0.1922 0.1798 -0.0038 -0.0134 -0.0110 288 ASN A ND2 +4990 N N . VAL A 299 ? 0.1661 0.1665 0.1562 0.0016 -0.0090 0.0035 289 VAL A N +4991 C CA . VAL A 299 ? 0.1700 0.1679 0.1591 0.0022 -0.0082 0.0028 289 VAL A CA +4992 C C . VAL A 299 ? 0.1703 0.1661 0.1598 0.0025 -0.0071 0.0067 289 VAL A C +4993 O O . VAL A 299 ? 0.1709 0.1635 0.1614 0.0026 -0.0068 0.0089 289 VAL A O +4994 C CB . VAL A 299 ? 0.1820 0.1736 0.1717 0.0021 -0.0082 0.0000 289 VAL A CB +4995 C CG1 . VAL A 299 ? 0.2014 0.1913 0.1907 0.0032 -0.0074 -0.0001 289 VAL A CG1 +4996 C CG2 . VAL A 299 ? 0.2091 0.2008 0.1983 0.0016 -0.0091 -0.0042 289 VAL A CG2 +5006 N N . ILE A 300 ? 0.1678 0.1655 0.1566 0.0024 -0.0064 0.0075 290 ILE A N +5007 C CA . ILE A 300 ? 0.1878 0.1825 0.1774 0.0017 -0.0054 0.0106 290 ILE A CA +5008 C C . ILE A 300 ? 0.1790 0.1743 0.1691 0.0013 -0.0051 0.0089 290 ILE A C +5009 O O . ILE A 300 ? 0.1871 0.1872 0.1766 0.0020 -0.0051 0.0068 290 ILE A O +5010 C CB . ILE A 300 ? 0.2087 0.2065 0.1977 0.0016 -0.0047 0.0148 290 ILE A CB +5011 C CG1 . ILE A 300 ? 0.2741 0.2656 0.2640 0.0005 -0.0038 0.0176 290 ILE A CG1 +5012 C CG2 . ILE A 300 ? 0.2250 0.2305 0.2127 0.0014 -0.0042 0.0151 290 ILE A CG2 +5013 C CD1 . ILE A 300 ? 0.3530 0.3428 0.3425 0.0012 -0.0031 0.0220 290 ILE A CD1 +5025 N N . MET A 301 ? 0.1750 0.1658 0.1661 0.0004 -0.0050 0.0094 291 MET A N +5026 C CA A MET A 301 ? 0.1861 0.1781 0.1782 0.0001 -0.0051 0.0077 291 MET A CA +5027 C CA B MET A 301 ? 0.2093 0.2015 0.2014 0.0001 -0.0051 0.0077 291 MET A CA +5028 C C . MET A 301 ? 0.1841 0.1765 0.1776 -0.0025 -0.0045 0.0099 291 MET A C +5029 O O . MET A 301 ? 0.2218 0.2094 0.2158 -0.0035 -0.0050 0.0095 291 MET A O +5030 C CB A MET A 301 ? 0.1812 0.1686 0.1731 0.0014 -0.0059 0.0054 291 MET A CB +5031 C CB B MET A 301 ? 0.2059 0.1935 0.1978 0.0013 -0.0059 0.0055 291 MET A CB +5032 C CG A MET A 301 ? 0.1660 0.1512 0.1569 0.0030 -0.0063 0.0039 291 MET A CG +5033 C CG B MET A 301 ? 0.3688 0.3550 0.3599 0.0031 -0.0063 0.0035 291 MET A CG +5034 S SD A MET A 301 ? 0.2206 0.1998 0.2110 0.0044 -0.0067 0.0026 291 MET A SD +5035 S SD B MET A 301 ? 0.2158 0.1987 0.2067 0.0049 -0.0068 0.0018 291 MET A SD +5036 C CE A MET A 301 ? 0.2653 0.2474 0.2558 0.0065 -0.0070 0.0004 291 MET A CE +5037 C CE B MET A 301 ? 0.3505 0.3277 0.3405 0.0056 -0.0069 0.0011 291 MET A CE +5056 N N . PRO A 302 ? 0.1927 0.1906 0.1869 -0.0038 -0.0035 0.0121 292 PRO A N +5057 C CA . PRO A 302 ? 0.2030 0.2006 0.1991 -0.0072 -0.0029 0.0144 292 PRO A CA +5058 C C . PRO A 302 ? 0.1871 0.1870 0.1855 -0.0085 -0.0037 0.0121 292 PRO A C +5059 O O . PRO A 302 ? 0.2039 0.2095 0.2028 -0.0065 -0.0041 0.0097 292 PRO A O +5060 C CB . PRO A 302 ? 0.2275 0.2329 0.2239 -0.0081 -0.0014 0.0174 292 PRO A CB +5061 C CG . PRO A 302 ? 0.1960 0.2079 0.1910 -0.0049 -0.0016 0.0148 292 PRO A CG +5062 C CD . PRO A 302 ? 0.1791 0.1846 0.1723 -0.0025 -0.0029 0.0122 292 PRO A CD +5070 N N A ASN A 303 ? 0.2118 0.2076 0.2116 -0.0118 -0.0039 0.0126 293 ASN A N +5071 N N B ASN A 303 ? 0.1759 0.1712 0.1756 -0.0116 -0.0040 0.0125 293 ASN A N +5072 C CA A ASN A 303 ? 0.1882 0.1870 0.1902 -0.0136 -0.0051 0.0103 293 ASN A CA +5073 C CA B ASN A 303 ? 0.1714 0.1702 0.1734 -0.0136 -0.0050 0.0104 293 ASN A CA +5074 C C A ASN A 303 ? 0.1722 0.1809 0.1780 -0.0166 -0.0043 0.0118 293 ASN A C +5075 C C B ASN A 303 ? 0.1673 0.1764 0.1728 -0.0162 -0.0040 0.0121 293 ASN A C +5076 O O A ASN A 303 ? 0.1816 0.1895 0.1891 -0.0208 -0.0031 0.0149 293 ASN A O +5077 O O B ASN A 303 ? 0.1799 0.1894 0.1865 -0.0192 -0.0025 0.0156 293 ASN A O +5078 C CB A ASN A 303 ? 0.1839 0.1740 0.1855 -0.0162 -0.0060 0.0094 293 ASN A CB +5079 C CB B ASN A 303 ? 0.2636 0.2545 0.2658 -0.0169 -0.0058 0.0099 293 ASN A CB +5080 C CG A ASN A 303 ? 0.3814 0.3754 0.3852 -0.0186 -0.0077 0.0065 293 ASN A CG +5081 C CG B ASN A 303 ? 0.1719 0.1668 0.1760 -0.0186 -0.0076 0.0068 293 ASN A CG +5082 O OD1 A ASN A 303 ? 0.2058 0.2093 0.2115 -0.0175 -0.0083 0.0055 293 ASN A OD1 +5083 O OD1 B ASN A 303 ? 0.1810 0.1833 0.1885 -0.0217 -0.0076 0.0071 293 ASN A OD1 +5084 N ND2 A ASN A 303 ? 0.2245 0.2113 0.2277 -0.0215 -0.0086 0.0050 293 ASN A ND2 +5085 N ND2 B ASN A 303 ? 0.2956 0.2866 0.2971 -0.0161 -0.0090 0.0040 293 ASN A ND2 +5098 N N . TRP A 304 ? 0.1706 0.1884 0.1778 -0.0145 -0.0047 0.0100 294 TRP A N +5099 C CA . TRP A 304 ? 0.1668 0.1967 0.1779 -0.0163 -0.0037 0.0111 294 TRP A CA +5100 C C . TRP A 304 ? 0.1757 0.2116 0.1906 -0.0185 -0.0053 0.0091 294 TRP A C +5101 O O . TRP A 304 ? 0.2091 0.2572 0.2277 -0.0189 -0.0048 0.0094 294 TRP A O +5102 C CB . TRP A 304 ? 0.1694 0.2063 0.1791 -0.0112 -0.0026 0.0104 294 TRP A CB +5103 C CG . TRP A 304 ? 0.1723 0.2221 0.1849 -0.0122 -0.0007 0.0123 294 TRP A CG +5104 C CD1 . TRP A 304 ? 0.1701 0.2315 0.1854 -0.0099 -0.0005 0.0108 294 TRP A CD1 +5105 C CD2 . TRP A 304 ? 0.1750 0.2277 0.1882 -0.0156 0.0015 0.0166 294 TRP A CD2 +5106 N NE1 . TRP A 304 ? 0.1900 0.2625 0.2076 -0.0118 0.0019 0.0137 294 TRP A NE1 +5107 C CE2 . TRP A 304 ? 0.1891 0.2561 0.2052 -0.0153 0.0032 0.0175 294 TRP A CE2 +5108 C CE3 . TRP A 304 ? 0.1812 0.2257 0.1923 -0.0182 0.0023 0.0202 294 TRP A CE3 +5109 C CZ2 . TRP A 304 ? 0.2084 0.2821 0.2251 -0.0180 0.0059 0.0220 294 TRP A CZ2 +5110 C CZ3 . TRP A 304 ? 0.2150 0.2656 0.2269 -0.0207 0.0048 0.0250 294 TRP A CZ3 +5111 C CH2 . TRP A 304 ? 0.2054 0.2704 0.2199 -0.0207 0.0066 0.0259 294 TRP A CH2 +5123 N N . THR A 305 ? 0.1734 0.2023 0.1874 -0.0197 -0.0073 0.0070 295 THR A N +5124 C CA . THR A 305 ? 0.1683 0.2041 0.1857 -0.0222 -0.0092 0.0049 295 THR A CA +5125 C C . THR A 305 ? 0.1717 0.2118 0.1940 -0.0297 -0.0086 0.0068 295 THR A C +5126 O O . THR A 305 ? 0.1794 0.2100 0.2009 -0.0336 -0.0076 0.0087 295 THR A O +5127 C CB . THR A 305 ? 0.1705 0.1972 0.1848 -0.0220 -0.0115 0.0020 295 THR A CB +5128 O OG1 . THR A 305 ? 0.1697 0.1914 0.1796 -0.0158 -0.0116 0.0012 295 THR A OG1 +5129 C CG2 . THR A 305 ? 0.1764 0.2111 0.1934 -0.0239 -0.0140 -0.0007 295 THR A CG2 +5137 N N . PRO A 306 ? 0.1712 0.2252 0.1988 -0.0318 -0.0089 0.0067 296 PRO A N +5138 C CA . PRO A 306 ? 0.1759 0.2346 0.2089 -0.0397 -0.0079 0.0090 296 PRO A CA +5139 C C . PRO A 306 ? 0.1819 0.2352 0.2165 -0.0461 -0.0103 0.0064 296 PRO A C +5140 O O . PRO A 306 ? 0.1854 0.2373 0.2181 -0.0443 -0.0132 0.0022 296 PRO A O +5141 C CB . PRO A 306 ? 0.1984 0.2763 0.2368 -0.0389 -0.0073 0.0097 296 PRO A CB +5142 C CG . PRO A 306 ? 0.1975 0.2794 0.2342 -0.0320 -0.0098 0.0058 296 PRO A CG +5143 C CD . PRO A 306 ? 0.1698 0.2366 0.1991 -0.0268 -0.0097 0.0051 296 PRO A CD +5151 N N . SER A 307 ? 0.1886 0.2390 0.2266 -0.0538 -0.0091 0.0088 297 SER A N +5152 C CA . SER A 307 ? 0.1957 0.2449 0.2372 -0.0616 -0.0113 0.0060 297 SER A CA +5153 C C . SER A 307 ? 0.1956 0.2637 0.2428 -0.0626 -0.0134 0.0037 297 SER A C +5154 O O . SER A 307 ? 0.2181 0.3009 0.2689 -0.0605 -0.0118 0.0064 297 SER A O +5155 C CB . SER A 307 ? 0.2453 0.2908 0.2909 -0.0701 -0.0090 0.0101 297 SER A CB +5156 O OG . SER A 307 ? 0.3112 0.3406 0.3519 -0.0684 -0.0068 0.0131 297 SER A OG +5162 N N . PRO A 308 ? 0.1989 0.2686 0.2472 -0.0658 -0.0170 -0.0011 298 PRO A N +5163 C CA . PRO A 308 ? 0.2139 0.2687 0.2586 -0.0692 -0.0192 -0.0054 298 PRO A CA +5164 C C . PRO A 308 ? 0.2148 0.2626 0.2519 -0.0612 -0.0210 -0.0088 298 PRO A C +5165 O O . PRO A 308 ? 0.2480 0.2865 0.2814 -0.0627 -0.0233 -0.0134 298 PRO A O +5166 C CB . PRO A 308 ? 0.2489 0.3152 0.2998 -0.0770 -0.0223 -0.0090 298 PRO A CB +5167 C CG . PRO A 308 ? 0.2238 0.3106 0.2778 -0.0717 -0.0235 -0.0089 298 PRO A CG +5168 C CD . PRO A 308 ? 0.2141 0.3042 0.2688 -0.0672 -0.0192 -0.0029 298 PRO A CD +5176 N N . TYR A 309 ? 0.1916 0.2436 0.2260 -0.0528 -0.0200 -0.0069 299 TYR A N +5177 C CA . TYR A 309 ? 0.1953 0.2428 0.2233 -0.0453 -0.0215 -0.0094 299 TYR A CA +5178 C C . TYR A 309 ? 0.2018 0.2320 0.2235 -0.0423 -0.0198 -0.0086 299 TYR A C +5179 O O . TYR A 309 ? 0.2111 0.2344 0.2274 -0.0388 -0.0212 -0.0114 299 TYR A O +5180 C CB . TYR A 309 ? 0.1805 0.2395 0.2088 -0.0375 -0.0211 -0.0077 299 TYR A CB +5181 C CG . TYR A 309 ? 0.1895 0.2676 0.2248 -0.0392 -0.0221 -0.0075 299 TYR A CG +5182 C CD1 . TYR A 309 ? 0.2034 0.2910 0.2415 -0.0426 -0.0255 -0.0109 299 TYR A CD1 +5183 C CD2 . TYR A 309 ? 0.2064 0.2942 0.2454 -0.0372 -0.0195 -0.0040 299 TYR A CD2 +5184 C CE1 . TYR A 309 ? 0.2041 0.3117 0.2497 -0.0441 -0.0265 -0.0105 299 TYR A CE1 +5185 C CE2 . TYR A 309 ? 0.2062 0.3132 0.2522 -0.0382 -0.0201 -0.0037 299 TYR A CE2 +5186 C CZ . TYR A 309 ? 0.1991 0.3158 0.2484 -0.0415 -0.0236 -0.0067 299 TYR A CZ +5187 O OH . TYR A 309 ? 0.2540 0.3913 0.3108 -0.0425 -0.0243 -0.0062 299 TYR A OH +5197 N N . ARG A 310 ? 0.1933 0.2172 0.2153 -0.0430 -0.0167 -0.0046 300 ARG A N +5198 C CA . ARG A 310 ? 0.2123 0.2224 0.2286 -0.0389 -0.0151 -0.0033 300 ARG A CA +5199 C C . ARG A 310 ? 0.2111 0.2084 0.2232 -0.0400 -0.0163 -0.0069 300 ARG A C +5200 O O . ARG A 310 ? 0.2216 0.2121 0.2286 -0.0346 -0.0162 -0.0077 300 ARG A O +5201 C CB . ARG A 310 ? 0.2212 0.2274 0.2385 -0.0400 -0.0118 0.0017 300 ARG A CB +5202 C CG . ARG A 310 ? 0.2445 0.2465 0.2651 -0.0475 -0.0110 0.0033 300 ARG A CG +5203 C CD . ARG A 310 ? 0.2835 0.2820 0.3042 -0.0476 -0.0076 0.0093 300 ARG A CD +5204 N NE . ARG A 310 ? 0.3274 0.3209 0.3516 -0.0554 -0.0067 0.0114 300 ARG A NE +5205 C CZ . ARG A 310 ? 0.8717 0.8596 0.8962 -0.0573 -0.0038 0.0170 300 ARG A CZ +5206 N NH1 . ARG A 310 ? 0.3791 0.3661 0.4002 -0.0516 -0.0020 0.0206 300 ARG A NH1 +5207 N NH2 . ARG A 310 ? 0.4364 0.4193 0.4645 -0.0649 -0.0029 0.0191 300 ARG A NH2 +5221 N N . GLN A 311 ? 0.2129 0.2064 0.2273 -0.0469 -0.0172 -0.0089 301 GLN A N +5222 C CA . GLN A 311 ? 0.2363 0.2164 0.2464 -0.0480 -0.0182 -0.0128 301 GLN A CA +5223 C C . GLN A 311 ? 0.2431 0.2266 0.2494 -0.0448 -0.0211 -0.0179 301 GLN A C +5224 O O . GLN A 311 ? 0.2690 0.2418 0.2702 -0.0435 -0.0216 -0.0213 301 GLN A O +5225 C CB . GLN A 311 ? 0.2646 0.2390 0.2781 -0.0568 -0.0186 -0.0142 301 GLN A CB +5226 C CG . GLN A 311 ? 0.3044 0.2915 0.3236 -0.0632 -0.0210 -0.0166 301 GLN A CG +5227 C CD . GLN A 311 ? 0.7960 0.7925 0.8223 -0.0677 -0.0191 -0.0114 301 GLN A CD +5228 O OE1 . GLN A 311 ? 0.3161 0.3182 0.3428 -0.0632 -0.0169 -0.0067 301 GLN A OE1 +5229 N NE2 . GLN A 311 ? 0.4145 0.4132 0.4465 -0.0770 -0.0200 -0.0125 301 GLN A NE2 +5238 N N . LEU A 312 ? 0.2058 0.2039 0.2140 -0.0430 -0.0229 -0.0184 302 LEU A N +5239 C CA . LEU A 312 ? 0.2060 0.2089 0.2104 -0.0398 -0.0258 -0.0225 302 LEU A CA +5240 C C . LEU A 312 ? 0.1994 0.2010 0.1988 -0.0312 -0.0247 -0.0205 302 LEU A C +5241 O O . LEU A 312 ? 0.2006 0.2042 0.1956 -0.0278 -0.0266 -0.0232 302 LEU A O +5242 C CB . LEU A 312 ? 0.2042 0.2245 0.2135 -0.0420 -0.0286 -0.0238 302 LEU A CB +5243 C CG . LEU A 312 ? 0.2111 0.2347 0.2261 -0.0513 -0.0299 -0.0259 302 LEU A CG +5244 C CD1 . LEU A 312 ? 0.2221 0.2656 0.2428 -0.0529 -0.0326 -0.0267 302 LEU A CD1 +5245 C CD2 . LEU A 312 ? 0.2461 0.2590 0.2574 -0.0554 -0.0317 -0.0317 302 LEU A CD2 +5257 N N . TYR A 313 ? 0.1993 0.1975 0.1989 -0.0279 -0.0219 -0.0161 303 TYR A N +5258 C CA . TYR A 313 ? 0.1884 0.1848 0.1839 -0.0207 -0.0209 -0.0144 303 TYR A CA +5259 C C . TYR A 313 ? 0.1920 0.1754 0.1825 -0.0191 -0.0195 -0.0150 303 TYR A C +5260 O O . TYR A 313 ? 0.2022 0.1794 0.1920 -0.0168 -0.0172 -0.0121 303 TYR A O +5261 C CB . TYR A 313 ? 0.1979 0.1986 0.1960 -0.0180 -0.0189 -0.0102 303 TYR A CB +5262 C CG . TYR A 313 ? 0.1782 0.1793 0.1732 -0.0114 -0.0185 -0.0089 303 TYR A CG +5263 C CD1 . TYR A 313 ? 0.1753 0.1852 0.1703 -0.0080 -0.0200 -0.0091 303 TYR A CD1 +5264 C CD2 . TYR A 313 ? 0.2006 0.1933 0.1931 -0.0087 -0.0164 -0.0069 303 TYR A CD2 +5265 C CE1 . TYR A 313 ? 0.1728 0.1815 0.1651 -0.0022 -0.0193 -0.0073 303 TYR A CE1 +5266 C CE2 . TYR A 313 ? 0.2206 0.2133 0.2109 -0.0036 -0.0158 -0.0055 303 TYR A CE2 +5267 C CZ . TYR A 313 ? 0.2110 0.2106 0.2013 -0.0006 -0.0171 -0.0055 303 TYR A CZ +5268 O OH . TYR A 313 ? 0.2561 0.2544 0.2443 0.0043 -0.0164 -0.0037 303 TYR A OH +5278 N N . GLN A 314 ? 0.1989 0.1793 0.1859 -0.0201 -0.0212 -0.0193 304 GLN A N +5279 C CA . GLN A 314 ? 0.2358 0.2039 0.2186 -0.0196 -0.0201 -0.0212 304 GLN A CA +5280 C C . GLN A 314 ? 0.2179 0.1840 0.1952 -0.0132 -0.0192 -0.0208 304 GLN A C +5281 O O . GLN A 314 ? 0.2295 0.1943 0.2020 -0.0119 -0.0203 -0.0245 304 GLN A O +5282 C CB A GLN A 314 ? 0.2359 0.2003 0.2177 -0.0246 -0.0222 -0.0269 304 GLN A CB +5283 C CG A GLN A 314 ? 0.3317 0.2943 0.3189 -0.0317 -0.0223 -0.0268 304 GLN A CG +5284 C CD A GLN A 314 ? 0.9501 0.9076 0.9361 -0.0372 -0.0246 -0.0331 304 GLN A CD +5285 O OE1 A GLN A 314 ? 0.4344 0.3846 0.4146 -0.0350 -0.0250 -0.0374 304 GLN A OE1 +5286 N NE2 A GLN A 314 ? 0.4181 0.3800 0.4097 -0.0445 -0.0260 -0.0340 304 GLN A NE2 +5295 N N . LEU A 315 ? 0.2175 0.1841 0.1955 -0.0095 -0.0172 -0.0164 305 LEU A N +5296 C CA . LEU A 315 ? 0.2155 0.1808 0.1892 -0.0041 -0.0160 -0.0152 305 LEU A CA +5297 C C . LEU A 315 ? 0.2304 0.1867 0.2002 -0.0031 -0.0148 -0.0175 305 LEU A C +5298 O O . LEU A 315 ? 0.2201 0.1765 0.1850 0.0001 -0.0148 -0.0190 305 LEU A O +5299 C CB . LEU A 315 ? 0.2135 0.1787 0.1893 -0.0017 -0.0140 -0.0106 305 LEU A CB +5300 C CG . LEU A 315 ? 0.2144 0.1872 0.1938 -0.0015 -0.0145 -0.0084 305 LEU A CG +5301 C CD1 . LEU A 315 ? 0.2196 0.1903 0.2005 0.0003 -0.0124 -0.0049 305 LEU A CD1 +5302 C CD2 . LEU A 315 ? 0.2292 0.2085 0.2066 0.0012 -0.0161 -0.0086 305 LEU A CD2 +5314 N N . TYR A 316 ? 0.2143 0.1629 0.1858 -0.0054 -0.0137 -0.0173 306 TYR A N +5315 C CA . TYR A 316 ? 0.2438 0.1828 0.2123 -0.0038 -0.0122 -0.0191 306 TYR A CA +5316 C C . TYR A 316 ? 0.2340 0.1651 0.2050 -0.0082 -0.0121 -0.0198 306 TYR A C +5317 O O . TYR A 316 ? 0.2497 0.1834 0.2254 -0.0117 -0.0122 -0.0171 306 TYR A O +5318 C CB . TYR A 316 ? 0.2361 0.1734 0.2042 0.0008 -0.0095 -0.0152 306 TYR A CB +5319 C CG . TYR A 316 ? 0.2154 0.1556 0.1881 0.0003 -0.0086 -0.0103 306 TYR A CG +5320 C CD1 . TYR A 316 ? 0.2383 0.1739 0.2139 -0.0015 -0.0077 -0.0082 306 TYR A CD1 +5321 C CD2 . TYR A 316 ? 0.2058 0.1532 0.1796 0.0018 -0.0087 -0.0079 306 TYR A CD2 +5322 C CE1 . TYR A 316 ? 0.2262 0.1658 0.2053 -0.0017 -0.0070 -0.0041 306 TYR A CE1 +5323 C CE2 . TYR A 316 ? 0.2186 0.1687 0.1961 0.0013 -0.0080 -0.0044 306 TYR A CE2 +5324 C CZ . TYR A 316 ? 0.1919 0.1387 0.1717 -0.0005 -0.0073 -0.0027 306 TYR A CZ +5325 O OH . TYR A 316 ? 0.2356 0.1860 0.2184 -0.0007 -0.0067 0.0005 306 TYR A OH +5335 N N . PRO A 317 ? 0.2537 0.1749 0.2217 -0.0078 -0.0115 -0.0232 307 PRO A N +5336 C CA . PRO A 317 ? 0.2676 0.1792 0.2378 -0.0120 -0.0112 -0.0236 307 PRO A CA +5337 C C . PRO A 317 ? 0.2680 0.1769 0.2416 -0.0110 -0.0089 -0.0173 307 PRO A C +5338 O O . PRO A 317 ? 0.2844 0.1950 0.2574 -0.0059 -0.0071 -0.0141 307 PRO A O +5339 C CB . PRO A 317 ? 0.3082 0.2088 0.2732 -0.0100 -0.0108 -0.0289 307 PRO A CB +5340 C CG . PRO A 317 ? 0.3448 0.2495 0.3056 -0.0035 -0.0097 -0.0290 307 PRO A CG +5341 C CD . PRO A 317 ? 0.2742 0.1922 0.2362 -0.0034 -0.0110 -0.0269 307 PRO A CD +5349 N N . GLY A 318 ? 0.2865 0.1916 0.2637 -0.0161 -0.0089 -0.0157 308 GLY A N +5350 C CA . GLY A 318 ? 0.2856 0.1885 0.2658 -0.0155 -0.0068 -0.0094 308 GLY A CA +5351 C C . GLY A 318 ? 0.2800 0.1947 0.2634 -0.0153 -0.0067 -0.0051 308 GLY A C +5352 O O . GLY A 318 ? 0.2814 0.1958 0.2667 -0.0147 -0.0051 0.0000 308 GLY A O +5356 N N . LYS A 319 ? 0.2855 0.2105 0.2692 -0.0154 -0.0083 -0.0068 309 LYS A N +5357 C CA . LYS A 319 ? 0.2654 0.2008 0.2516 -0.0144 -0.0081 -0.0033 309 LYS A CA +5358 C C . LYS A 319 ? 0.2980 0.2368 0.2885 -0.0188 -0.0077 -0.0001 309 LYS A C +5359 O O . LYS A 319 ? 0.2765 0.2197 0.2684 -0.0174 -0.0066 0.0039 309 LYS A O +5360 C CB . LYS A 319 ? 0.2467 0.1908 0.2323 -0.0137 -0.0099 -0.0059 309 LYS A CB +5361 C CG . LYS A 319 ? 0.2528 0.2063 0.2407 -0.0121 -0.0097 -0.0029 309 LYS A CG +5362 C CD . LYS A 319 ? 0.2719 0.2328 0.2591 -0.0105 -0.0113 -0.0048 309 LYS A CD +5363 C CE . LYS A 319 ? 0.2615 0.2302 0.2509 -0.0089 -0.0110 -0.0024 309 LYS A CE +5364 N NZ . LYS A 319 ? 0.2945 0.2680 0.2880 -0.0124 -0.0107 -0.0008 309 LYS A NZ +5378 N N . ILE A 320 ? 0.3347 0.2723 0.3273 -0.0243 -0.0087 -0.0019 310 ILE A N +5379 C CA . ILE A 320 ? 0.3092 0.2526 0.3063 -0.0292 -0.0084 0.0009 310 ILE A CA +5380 C C . ILE A 320 ? 0.3376 0.2703 0.3357 -0.0328 -0.0069 0.0034 310 ILE A C +5381 O O . ILE A 320 ? 0.3973 0.3191 0.3935 -0.0343 -0.0073 0.0002 310 ILE A O +5382 C CB . ILE A 320 ? 0.3224 0.2743 0.3221 -0.0334 -0.0108 -0.0029 310 ILE A CB +5383 C CG1 . ILE A 320 ? 0.4211 0.3826 0.4193 -0.0288 -0.0122 -0.0047 310 ILE A CG1 +5384 C CG2 . ILE A 320 ? 0.3470 0.3067 0.3523 -0.0387 -0.0102 0.0001 310 ILE A CG2 +5385 C CD1 . ILE A 320 ? 0.4189 0.3798 0.4141 -0.0281 -0.0145 -0.0101 310 ILE A CD1 +5397 N N . SER A 321 ? 0.3016 0.2364 0.3021 -0.0340 -0.0050 0.0090 311 SER A N +5398 C CA . SER A 321 ? 0.3549 0.2812 0.3573 -0.0389 -0.0034 0.0123 311 SER A CA +5399 C C . SER A 321 ? 0.2803 0.2158 0.2881 -0.0459 -0.0037 0.0133 311 SER A C +5400 O O . SER A 321 ? 0.3617 0.3110 0.3716 -0.0451 -0.0035 0.0151 311 SER A O +5401 C CB . SER A 321 ? 0.3374 0.2605 0.3389 -0.0358 -0.0009 0.0192 311 SER A CB +5402 O OG . SER A 321 ? 0.3649 0.2790 0.3683 -0.0407 0.0007 0.0228 311 SER A OG +5408 N N . VAL A 322 ? 0.3160 0.2439 0.3260 -0.0525 -0.0039 0.0122 312 VAL A N +5409 C CA . VAL A 322 ? 0.3226 0.2593 0.3386 -0.0603 -0.0039 0.0137 312 VAL A CA +5410 C C . VAL A 322 ? 0.2986 0.2280 0.3170 -0.0649 -0.0010 0.0205 312 VAL A C +5411 O O . VAL A 322 ? 0.3067 0.2406 0.3303 -0.0725 -0.0005 0.0221 312 VAL A O +5412 C CB . VAL A 322 ? 0.5263 0.4640 0.5445 -0.0662 -0.0068 0.0068 312 VAL A CB +5413 C CG1 . VAL A 322 ? 0.4955 0.4456 0.5124 -0.0618 -0.0095 0.0020 312 VAL A CG1 +5414 C CG2 . VAL A 322 ? 0.3702 0.2892 0.3852 -0.0678 -0.0074 0.0029 312 VAL A CG2 +5424 N N . PHE A 323 ? 0.3257 0.2452 0.3403 -0.0600 0.0012 0.0251 313 PHE A N +5425 C CA . PHE A 323 ? 0.3413 0.2527 0.3572 -0.0633 0.0041 0.0324 313 PHE A CA +5426 C C . PHE A 323 ? 0.3420 0.2680 0.3609 -0.0644 0.0063 0.0393 313 PHE A C +5427 O O . PHE A 323 ? 0.4202 0.3427 0.4416 -0.0695 0.0087 0.0457 313 PHE A O +5428 C CB . PHE A 323 ? 0.4254 0.3224 0.4361 -0.0564 0.0055 0.0351 313 PHE A CB +5429 C CG . PHE A 323 ? 0.4076 0.2847 0.4180 -0.0599 0.0067 0.0364 313 PHE A CG +5430 C CD1 . PHE A 323 ? 0.4689 0.3356 0.4796 -0.0643 0.0048 0.0293 313 PHE A CD1 +5431 C CD2 . PHE A 323 ? 0.4522 0.3204 0.4614 -0.0581 0.0096 0.0447 313 PHE A CD2 +5432 C CE1 . PHE A 323 ? 0.5133 0.3599 0.5235 -0.0676 0.0060 0.0300 313 PHE A CE1 +5433 C CE2 . PHE A 323 ? 0.5543 0.4027 0.5631 -0.0608 0.0110 0.0463 313 PHE A CE2 +5434 C CZ . PHE A 323 ? 0.6067 0.4437 0.6161 -0.0657 0.0092 0.0386 313 PHE A CZ +5444 N N . GLU A 324 ? 0.3261 0.2677 0.3445 -0.0599 0.0056 0.0383 314 GLU A N +5445 C CA . GLU A 324 ? 0.3179 0.2745 0.3384 -0.0602 0.0077 0.0439 314 GLU A CA +5446 C C . GLU A 324 ? 0.3257 0.2997 0.3502 -0.0621 0.0062 0.0399 314 GLU A C +5447 O O . GLU A 324 ? 0.3157 0.2911 0.3402 -0.0612 0.0034 0.0331 314 GLU A O +5448 C CB . GLU A 324 ? 0.3610 0.3209 0.3766 -0.0518 0.0086 0.0470 314 GLU A CB +5449 C CG . GLU A 324 ? 0.6841 0.6291 0.6954 -0.0480 0.0098 0.0512 314 GLU A CG +5450 C CD . GLU A 324 ? 1.0737 1.0128 1.0864 -0.0524 0.0129 0.0596 314 GLU A CD +5451 O OE1 . GLU A 324 ? 1.3080 1.2588 1.3237 -0.0562 0.0147 0.0639 314 GLU A OE1 +5452 O OE2 . GLU A 324 ? 1.0843 1.0070 1.0951 -0.0517 0.0136 0.0621 314 GLU A OE2 +5459 N N . LYS A 325 ? 0.3197 0.3074 0.3475 -0.0643 0.0084 0.0446 315 LYS A N +5460 C CA . LYS A 325 ? 0.3132 0.3192 0.3448 -0.0648 0.0075 0.0416 315 LYS A CA +5461 C C . LYS A 325 ? 0.2597 0.2711 0.2873 -0.0563 0.0056 0.0367 315 LYS A C +5462 O O . LYS A 325 ? 0.2676 0.2731 0.2899 -0.0502 0.0058 0.0373 315 LYS A O +5463 C CB . LYS A 325 ? 0.3798 0.4000 0.4144 -0.0670 0.0108 0.0482 315 LYS A CB +5464 C CG . LYS A 325 ? 0.9084 0.9320 0.9378 -0.0602 0.0130 0.0525 315 LYS A CG +5465 C CD . LYS A 325 ? 0.8063 0.8433 0.8384 -0.0632 0.0166 0.0596 315 LYS A CD +5472 N N . ASP A 326 ? 0.2346 0.2573 0.2651 -0.0560 0.0037 0.0318 316 ASP A N +5473 C CA . ASP A 326 ? 0.2141 0.2399 0.2412 -0.0487 0.0018 0.0270 316 ASP A CA +5474 C C . ASP A 326 ? 0.2243 0.2592 0.2489 -0.0425 0.0034 0.0287 316 ASP A C +5475 O O . ASP A 326 ? 0.2423 0.2784 0.2640 -0.0365 0.0020 0.0250 316 ASP A O +5476 C CB . ASP A 326 ? 0.2028 0.2363 0.2332 -0.0498 -0.0010 0.0217 316 ASP A CB +5477 C CG . ASP A 326 ? 0.2068 0.2587 0.2431 -0.0518 -0.0002 0.0227 316 ASP A CG +5478 O OD1 . ASP A 326 ? 0.2357 0.2961 0.2722 -0.0500 0.0026 0.0266 316 ASP A OD1 +5479 O OD2 . ASP A 326 ? 0.2160 0.2757 0.2567 -0.0548 -0.0021 0.0196 316 ASP A OD2 +5484 N N . THR A 327 ? 0.2374 0.2780 0.2626 -0.0438 0.0063 0.0343 317 THR A N +5485 C CA . THR A 327 ? 0.2541 0.3022 0.2756 -0.0379 0.0078 0.0355 317 THR A CA +5486 C C . THR A 327 ? 0.2858 0.3244 0.3022 -0.0354 0.0087 0.0390 317 THR A C +5487 O O . THR A 327 ? 0.2828 0.3277 0.2958 -0.0312 0.0099 0.0405 317 THR A O +5488 C CB . THR A 327 ? 0.2828 0.3470 0.3077 -0.0398 0.0106 0.0393 317 THR A CB +5489 O OG1 . THR A 327 ? 0.3188 0.3803 0.3468 -0.0470 0.0126 0.0452 317 THR A OG1 +5490 C CG2 . THR A 327 ? 0.2839 0.3614 0.3138 -0.0401 0.0097 0.0355 317 THR A CG2 +5498 N N . ALA A 328 ? 0.2246 0.2484 0.2398 -0.0372 0.0080 0.0400 318 ALA A N +5499 C CA . ALA A 328 ? 0.2396 0.2555 0.2505 -0.0348 0.0091 0.0443 318 ALA A CA +5500 C C . ALA A 328 ? 0.2250 0.2378 0.2312 -0.0281 0.0074 0.0408 318 ALA A C +5501 O O . ALA A 328 ? 0.2441 0.2557 0.2467 -0.0249 0.0081 0.0440 318 ALA A O +5502 C CB . ALA A 328 ? 0.3280 0.3285 0.3395 -0.0387 0.0092 0.0468 318 ALA A CB +5508 N N . SER A 329 ? 0.2259 0.2374 0.2320 -0.0260 0.0051 0.0345 319 SER A N +5509 C CA . SER A 329 ? 0.2154 0.2213 0.2178 -0.0208 0.0036 0.0317 319 SER A CA +5510 C C . SER A 329 ? 0.2130 0.2271 0.2123 -0.0163 0.0039 0.0315 319 SER A C +5511 O O . SER A 329 ? 0.2257 0.2359 0.2220 -0.0133 0.0034 0.0321 319 SER A O +5512 C CB . SER A 329 ? 0.2096 0.2123 0.2123 -0.0197 0.0013 0.0258 319 SER A CB +5513 O OG . SER A 329 ? 0.2389 0.2524 0.2435 -0.0189 0.0010 0.0231 319 SER A OG +5519 N N . ILE A 330 ? 0.2188 0.2445 0.2189 -0.0158 0.0045 0.0303 320 ILE A N +5520 C CA . ILE A 330 ? 0.2029 0.2355 0.1996 -0.0114 0.0046 0.0289 320 ILE A CA +5521 C C . ILE A 330 ? 0.2269 0.2619 0.2208 -0.0111 0.0062 0.0345 320 ILE A C +5522 O O . ILE A 330 ? 0.2169 0.2506 0.2074 -0.0080 0.0053 0.0341 320 ILE A O +5523 C CB . ILE A 330 ? 0.2078 0.2516 0.2056 -0.0098 0.0050 0.0254 320 ILE A CB +5524 C CG1 . ILE A 330 ? 0.2055 0.2454 0.2048 -0.0084 0.0031 0.0200 320 ILE A CG1 +5525 C CG2 . ILE A 330 ? 0.2319 0.2825 0.2255 -0.0057 0.0054 0.0238 320 ILE A CG2 +5526 C CD1 . ILE A 330 ? 0.2225 0.2727 0.2238 -0.0066 0.0035 0.0172 320 ILE A CD1 +5538 N N . PRO A 331 ? 0.2226 0.2617 0.2182 -0.0145 0.0085 0.0402 321 PRO A N +5539 C CA . PRO A 331 ? 0.2240 0.2644 0.2164 -0.0138 0.0100 0.0465 321 PRO A CA +5540 C C . PRO A 331 ? 0.2470 0.2752 0.2378 -0.0127 0.0089 0.0485 321 PRO A C +5541 O O . PRO A 331 ? 0.2637 0.2937 0.2508 -0.0095 0.0088 0.0512 321 PRO A O +5542 C CB . PRO A 331 ? 0.2798 0.3239 0.2752 -0.0187 0.0128 0.0526 321 PRO A CB +5543 C CG . PRO A 331 ? 0.2965 0.3475 0.2960 -0.0208 0.0128 0.0485 321 PRO A CG +5544 C CD . PRO A 331 ? 0.2238 0.2685 0.2240 -0.0189 0.0099 0.0413 321 PRO A CD +5552 N N A SER A 332 ? 0.2473 0.2640 0.2407 -0.0149 0.0080 0.0472 322 SER A N +5553 N N B SER A 332 ? 0.2546 0.2712 0.2480 -0.0147 0.0079 0.0469 322 SER A N +5554 C CA A SER A 332 ? 0.2666 0.2718 0.2587 -0.0132 0.0073 0.0487 322 SER A CA +5555 C CA B SER A 332 ? 0.2451 0.2501 0.2370 -0.0130 0.0072 0.0489 322 SER A CA +5556 C C A SER A 332 ? 0.2947 0.3018 0.2840 -0.0083 0.0053 0.0451 322 SER A C +5557 C C B SER A 332 ? 0.2077 0.2131 0.1971 -0.0083 0.0051 0.0447 322 SER A C +5558 O O A SER A 332 ? 0.2668 0.2738 0.2535 -0.0054 0.0053 0.0486 322 SER A O +5559 O O B SER A 332 ? 0.2045 0.2069 0.1919 -0.0053 0.0048 0.0475 322 SER A O +5560 C CB A SER A 332 ? 0.3088 0.3021 0.3036 -0.0159 0.0065 0.0462 322 SER A CB +5561 C CB B SER A 332 ? 0.2726 0.2655 0.2674 -0.0162 0.0068 0.0472 322 SER A CB +5562 O OG A SER A 332 ? 0.3030 0.2855 0.2962 -0.0135 0.0061 0.0477 322 SER A OG +5563 O OG B SER A 332 ? 0.3670 0.3578 0.3643 -0.0213 0.0087 0.0518 322 SER A OG +5574 N N . VAL A 333 ? 0.2345 0.2435 0.2244 -0.0075 0.0037 0.0385 323 VAL A N +5575 C CA . VAL A 333 ? 0.2288 0.2388 0.2167 -0.0038 0.0018 0.0348 323 VAL A CA +5576 C C . VAL A 333 ? 0.2335 0.2540 0.2183 -0.0015 0.0019 0.0359 323 VAL A C +5577 O O . VAL A 333 ? 0.2363 0.2577 0.2192 0.0011 0.0006 0.0355 323 VAL A O +5578 C CB . VAL A 333 ? 0.2209 0.2290 0.2099 -0.0035 0.0003 0.0282 323 VAL A CB +5579 C CG1 . VAL A 333 ? 0.2498 0.2482 0.2410 -0.0052 -0.0000 0.0272 323 VAL A CG1 +5580 C CG2 . VAL A 333 ? 0.2455 0.2614 0.2348 -0.0036 0.0004 0.0250 323 VAL A CG2 +5591 N N . MET A 334 ? 0.2302 0.2596 0.2142 -0.0023 0.0033 0.0370 324 MET A N +5592 C CA A MET A 334 ? 0.2654 0.3054 0.2455 0.0001 0.0033 0.0380 324 MET A CA +5593 C CA B MET A 334 ? 0.1829 0.2230 0.1630 0.0001 0.0034 0.0381 324 MET A CA +5594 C C . MET A 334 ? 0.2599 0.2995 0.2380 0.0014 0.0038 0.0449 324 MET A C +5595 O O . MET A 334 ? 0.2502 0.2953 0.2252 0.0043 0.0024 0.0446 324 MET A O +5596 C CB A MET A 334 ? 0.3148 0.3652 0.2944 -0.0007 0.0052 0.0382 324 MET A CB +5597 C CB B MET A 334 ? 0.1911 0.2413 0.1708 -0.0010 0.0055 0.0392 324 MET A CB +5598 C CG A MET A 334 ? 0.2489 0.3011 0.2297 -0.0002 0.0045 0.0309 324 MET A CG +5599 C CG B MET A 334 ? 0.2820 0.3354 0.2632 -0.0008 0.0052 0.0326 324 MET A CG +5600 S SD A MET A 334 ? 0.3035 0.3692 0.2843 -0.0003 0.0070 0.0310 324 MET A SD +5601 S SD B MET A 334 ? 0.3552 0.4152 0.3321 0.0032 0.0033 0.0255 324 MET A SD +5602 C CE A MET A 334 ? 0.3299 0.3960 0.3111 0.0024 0.0056 0.0217 324 MET A CE +5603 C CE B MET A 334 ? 0.3492 0.4139 0.3278 0.0039 0.0043 0.0201 324 MET A CE +5622 N N . LYS A 335 ? 0.2519 0.2848 0.2317 -0.0007 0.0056 0.0511 325 LYS A N +5623 C CA . LYS A 335 ? 0.2872 0.3178 0.2651 0.0012 0.0062 0.0583 325 LYS A CA +5624 C C . LYS A 335 ? 0.2817 0.3063 0.2597 0.0042 0.0041 0.0566 325 LYS A C +5625 O O . LYS A 335 ? 0.2781 0.3075 0.2535 0.0077 0.0033 0.0597 325 LYS A O +5626 C CB . LYS A 335 ? 0.3201 0.3418 0.3003 -0.0022 0.0087 0.0646 325 LYS A CB +5627 C CG . LYS A 335 ? 0.4167 0.4333 0.3951 -0.0001 0.0098 0.0729 325 LYS A CG +5632 N N . MET A 336 ? 0.2549 0.2703 0.2357 0.0031 0.0032 0.0518 326 MET A N +5633 C CA A MET A 336 ? 0.2654 0.2760 0.2468 0.0058 0.0015 0.0499 326 MET A CA +5634 C CA B MET A 336 ? 0.2614 0.2721 0.2427 0.0059 0.0015 0.0502 326 MET A CA +5635 C C . MET A 336 ? 0.2535 0.2744 0.2331 0.0083 -0.0006 0.0464 326 MET A C +5636 O O . MET A 336 ? 0.2458 0.2692 0.2248 0.0114 -0.0017 0.0484 326 MET A O +5637 C CB A MET A 336 ? 0.3270 0.3286 0.3112 0.0040 0.0010 0.0445 326 MET A CB +5638 C CB B MET A 336 ? 0.2392 0.2400 0.2233 0.0041 0.0011 0.0454 326 MET A CB +5639 C CG A MET A 336 ? 0.2581 0.2571 0.2431 0.0065 -0.0007 0.0411 326 MET A CG +5640 C CG B MET A 336 ? 0.2651 0.2606 0.2500 0.0069 0.0001 0.0442 326 MET A CG +5641 S SD A MET A 336 ? 0.2824 0.2737 0.2696 0.0049 -0.0014 0.0346 326 MET A SD +5642 S SD B MET A 336 ? 0.3041 0.3081 0.2890 0.0079 -0.0023 0.0379 326 MET A SD +5643 C CE A MET A 336 ? 0.2748 0.2563 0.2632 0.0016 0.0002 0.0362 326 MET A CE +5644 C CE B MET A 336 ? 0.4830 0.4815 0.4698 0.0050 -0.0025 0.0316 326 MET A CE +5663 N N . ILE A 337 ? 0.2424 0.2695 0.2215 0.0069 -0.0013 0.0410 327 ILE A N +5664 C CA . ILE A 337 ? 0.2273 0.2629 0.2048 0.0083 -0.0035 0.0365 327 ILE A CA +5665 C C . ILE A 337 ? 0.2424 0.2886 0.2163 0.0107 -0.0039 0.0407 327 ILE A C +5666 O O . ILE A 337 ? 0.2279 0.2795 0.2012 0.0127 -0.0059 0.0397 327 ILE A O +5667 C CB . ILE A 337 ? 0.2226 0.2609 0.1998 0.0067 -0.0037 0.0300 327 ILE A CB +5668 C CG1 . ILE A 337 ? 0.2248 0.2534 0.2053 0.0051 -0.0040 0.0259 327 ILE A CG1 +5669 C CG2 . ILE A 337 ? 0.2359 0.2835 0.2105 0.0079 -0.0058 0.0252 327 ILE A CG2 +5670 C CD1 . ILE A 337 ? 0.2503 0.2804 0.2310 0.0041 -0.0037 0.0208 327 ILE A CD1 +5682 N N . GLU A 338 ? 0.2218 0.2719 0.1935 0.0105 -0.0018 0.0457 328 GLU A N +5683 C CA A GLU A 338 ? 0.2256 0.2863 0.1933 0.0132 -0.0019 0.0508 328 GLU A CA +5684 C CA B GLU A 338 ? 0.2675 0.3281 0.2352 0.0132 -0.0019 0.0508 328 GLU A CA +5685 C C . GLU A 338 ? 0.2478 0.3054 0.2160 0.0161 -0.0024 0.0568 328 GLU A C +5686 O O . GLU A 338 ? 0.2734 0.3404 0.2395 0.0191 -0.0043 0.0577 328 GLU A O +5687 C CB A GLU A 338 ? 0.2788 0.3429 0.2446 0.0120 0.0010 0.0562 328 GLU A CB +5688 C CB B GLU A 338 ? 0.2421 0.3056 0.2080 0.0119 0.0011 0.0563 328 GLU A CB +5689 C CG A GLU A 338 ? 0.3075 0.3827 0.2684 0.0150 0.0015 0.0630 328 GLU A CG +5690 C CG B GLU A 338 ? 0.6150 0.6917 0.5757 0.0146 0.0014 0.0614 328 GLU A CG +5691 C CD A GLU A 338 ? 0.7214 0.8109 0.6780 0.0170 -0.0009 0.0576 328 GLU A CD +5692 C CD B GLU A 338 ? 0.5391 0.6198 0.4982 0.0130 0.0048 0.0670 328 GLU A CD +5693 O OE1 A GLU A 338 ? 0.6009 0.6923 0.5576 0.0155 -0.0017 0.0493 328 GLU A OE1 +5694 O OE1 B GLU A 338 ? 0.4782 0.5496 0.4400 0.0108 0.0073 0.0731 328 GLU A OE1 +5695 O OE2 A GLU A 338 ? 0.7768 0.8755 0.7297 0.0202 -0.0020 0.0616 328 GLU A OE2 +5696 O OE2 B GLU A 338 ? 0.5892 0.6825 0.5444 0.0137 0.0052 0.0651 328 GLU A OE2 +5709 N N . LEU A 339 ? 0.2820 0.3268 0.2530 0.0156 -0.0007 0.0606 329 LEU A N +5710 C CA . LEU A 339 ? 0.3088 0.3492 0.2804 0.0193 -0.0008 0.0664 329 LEU A CA +5711 C C . LEU A 339 ? 0.2984 0.3416 0.2718 0.0215 -0.0035 0.0620 329 LEU A C +5712 O O . LEU A 339 ? 0.3181 0.3649 0.2910 0.0257 -0.0043 0.0663 329 LEU A O +5713 C CB . LEU A 339 ? 0.4112 0.4355 0.3855 0.0179 0.0015 0.0693 329 LEU A CB +5714 C CG . LEU A 339 ? 0.5660 0.5850 0.5389 0.0175 0.0043 0.0781 329 LEU A CG +5715 C CD1 . LEU A 339 ? 0.9467 0.9760 0.9169 0.0155 0.0055 0.0805 329 LEU A CD1 +5716 C CD2 . LEU A 339 ? 0.8482 0.8511 0.8243 0.0141 0.0061 0.0777 329 LEU A CD2 +5728 N N . LEU A 340 ? 0.2508 0.2924 0.2265 0.0190 -0.0048 0.0541 330 LEU A N +5729 C CA . LEU A 340 ? 0.2468 0.2922 0.2246 0.0200 -0.0071 0.0498 330 LEU A CA +5730 C C . LEU A 340 ? 0.2911 0.3516 0.2667 0.0208 -0.0097 0.0476 330 LEU A C +5731 O O . LEU A 340 ? 0.3063 0.3720 0.2841 0.0213 -0.0120 0.0445 330 LEU A O +5732 C CB . LEU A 340 ? 0.2698 0.3085 0.2505 0.0167 -0.0075 0.0425 330 LEU A CB +5733 C CG . LEU A 340 ? 0.2942 0.3193 0.2774 0.0162 -0.0058 0.0429 330 LEU A CG +5734 C CD1 . LEU A 340 ? 0.3288 0.3499 0.3138 0.0131 -0.0063 0.0361 330 LEU A CD1 +5735 C CD2 . LEU A 340 ? 0.4172 0.4400 0.4023 0.0199 -0.0058 0.0459 330 LEU A CD2 +5747 N N . GLY A 341 ? 0.2489 0.3169 0.2204 0.0205 -0.0095 0.0485 331 GLY A N +5748 C CA . GLY A 341 ? 0.2870 0.3694 0.2558 0.0208 -0.0121 0.0448 331 GLY A CA +5749 C C . GLY A 341 ? 0.2896 0.3724 0.2591 0.0172 -0.0136 0.0351 331 GLY A C +5750 O O . GLY A 341 ? 0.2961 0.3889 0.2644 0.0168 -0.0164 0.0303 331 GLY A O +5754 N N . ARG A 342 ? 0.2144 0.2863 0.1857 0.0146 -0.0119 0.0319 332 ARG A N +5755 C CA . ARG A 342 ? 0.2042 0.2741 0.1762 0.0118 -0.0129 0.0235 332 ARG A CA +5756 C C . ARG A 342 ? 0.2252 0.2983 0.1934 0.0114 -0.0115 0.0216 332 ARG A C +5757 O O . ARG A 342 ? 0.2327 0.3106 0.1980 0.0128 -0.0099 0.0271 332 ARG A O +5758 C CB . ARG A 342 ? 0.2046 0.2614 0.1810 0.0101 -0.0119 0.0221 332 ARG A CB +5759 C CG . ARG A 342 ? 0.2125 0.2678 0.1926 0.0109 -0.0130 0.0238 332 ARG A CG +5760 C CD . ARG A 342 ? 0.2009 0.2600 0.1830 0.0089 -0.0154 0.0177 332 ARG A CD +5761 N NE . ARG A 342 ? 0.1993 0.2488 0.1841 0.0063 -0.0150 0.0132 332 ARG A NE +5762 C CZ . ARG A 342 ? 0.2088 0.2508 0.1970 0.0064 -0.0139 0.0149 332 ARG A CZ +5763 N NH1 . ARG A 342 ? 0.2075 0.2499 0.1969 0.0090 -0.0133 0.0203 332 ARG A NH1 +5764 N NH2 . ARG A 342 ? 0.2128 0.2471 0.2029 0.0041 -0.0136 0.0110 332 ARG A NH2 +5778 N N . LYS A 343 ? 0.2252 0.2956 0.1935 0.0097 -0.0119 0.0144 333 LYS A N +5779 C CA . LYS A 343 ? 0.2850 0.3587 0.2501 0.0100 -0.0105 0.0118 333 LYS A CA +5780 C C . LYS A 343 ? 0.2784 0.3420 0.2465 0.0086 -0.0091 0.0088 333 LYS A C +5781 O O . LYS A 343 ? 0.2363 0.2921 0.2075 0.0073 -0.0101 0.0059 333 LYS A O +5782 C CB . LYS A 343 ? 0.3176 0.3992 0.2790 0.0102 -0.0127 0.0042 333 LYS A CB +5783 C CG . LYS A 343 ? 0.8036 0.8889 0.7658 0.0094 -0.0159 0.0018 333 LYS A CG +5788 N N . PRO A 344 ? 0.3469 0.4114 0.3143 0.0089 -0.0068 0.0097 334 PRO A N +5789 C CA . PRO A 344 ? 0.2996 0.3564 0.2696 0.0082 -0.0060 0.0059 334 PRO A CA +5790 C C . PRO A 344 ? 0.3308 0.3880 0.2990 0.0090 -0.0074 -0.0026 334 PRO A C +5791 O O . PRO A 344 ? 0.2987 0.3634 0.2629 0.0100 -0.0086 -0.0060 334 PRO A O +5792 C CB B PRO A 344 ? 0.5339 0.5955 0.5035 0.0085 -0.0032 0.0094 334 PRO A CB +5793 C CG . PRO A 344 ? 0.4369 0.5109 0.4015 0.0102 -0.0029 0.0111 334 PRO A CG +5794 C CD . PRO A 344 ? 0.4191 0.4932 0.3832 0.0101 -0.0048 0.0141 334 PRO A CD +5802 N N . GLY A 345 ? 0.3208 0.3689 0.2916 0.0086 -0.0074 -0.0061 335 GLY A N +5803 C CA . GLY A 345 ? 0.2779 0.3233 0.2473 0.0095 -0.0085 -0.0139 335 GLY A CA +5804 C C . GLY A 345 ? 0.2970 0.3502 0.2625 0.0122 -0.0074 -0.0174 335 GLY A C +5805 O O . GLY A 345 ? 0.3730 0.4313 0.3385 0.0134 -0.0051 -0.0140 335 GLY A O +5809 N N . ARG A 346 ? 0.2776 0.3318 0.2397 0.0131 -0.0089 -0.0245 336 ARG A N +5810 C CA . ARG A 346 ? 0.3356 0.3974 0.2930 0.0163 -0.0079 -0.0293 336 ARG A CA +5811 C C . ARG A 346 ? 0.3347 0.3892 0.2926 0.0189 -0.0070 -0.0349 336 ARG A C +5812 O O . ARG A 346 ? 0.4243 0.4849 0.3791 0.0225 -0.0054 -0.0381 336 ARG A O +5813 C CB . ARG A 346 ? 0.3921 0.4594 0.3447 0.0160 -0.0103 -0.0350 336 ARG A CB +5814 C CG . ARG A 346 ? 0.4917 0.5696 0.4426 0.0147 -0.0112 -0.0294 336 ARG A CG +5819 N N . ASP A 347 ? 0.2624 0.3042 0.2238 0.0175 -0.0079 -0.0363 337 ASP A N +5820 C CA . ASP A 347 ? 0.2531 0.2862 0.2153 0.0203 -0.0072 -0.0407 337 ASP A CA +5821 C C . ASP A 347 ? 0.2396 0.2648 0.2070 0.0191 -0.0067 -0.0354 337 ASP A C +5822 O O . ASP A 347 ? 0.2289 0.2574 0.1988 0.0170 -0.0062 -0.0289 337 ASP A O +5823 C CB . ASP A 347 ? 0.2715 0.2967 0.2313 0.0197 -0.0092 -0.0487 337 ASP A CB +5824 C CG . ASP A 347 ? 0.3532 0.3711 0.3161 0.0146 -0.0115 -0.0475 337 ASP A CG +5825 O OD1 . ASP A 347 ? 0.2726 0.2901 0.2392 0.0123 -0.0113 -0.0408 337 ASP A OD1 +5826 O OD2 . ASP A 347 ? 0.3684 0.3814 0.3299 0.0125 -0.0134 -0.0536 337 ASP A OD2 +5831 N N . TRP A 348 ? 0.2272 0.2417 0.1960 0.0207 -0.0067 -0.0381 338 TRP A N +5832 C CA . TRP A 348 ? 0.2121 0.2203 0.1852 0.0201 -0.0062 -0.0333 338 TRP A CA +5833 C C . TRP A 348 ? 0.2203 0.2222 0.1958 0.0156 -0.0077 -0.0304 338 TRP A C +5834 O O . TRP A 348 ? 0.2062 0.2039 0.1847 0.0149 -0.0074 -0.0261 338 TRP A O +5835 C CB . TRP A 348 ? 0.2395 0.2385 0.2131 0.0239 -0.0057 -0.0363 338 TRP A CB +5836 C CG . TRP A 348 ? 0.2357 0.2411 0.2080 0.0294 -0.0040 -0.0385 338 TRP A CG +5837 C CD1 . TRP A 348 ? 0.2584 0.2770 0.2295 0.0306 -0.0026 -0.0377 338 TRP A CD1 +5838 C CD2 . TRP A 348 ? 0.2337 0.2330 0.2061 0.0346 -0.0031 -0.0413 338 TRP A CD2 +5839 N NE1 . TRP A 348 ? 0.2584 0.2807 0.2293 0.0365 -0.0009 -0.0401 338 TRP A NE1 +5840 C CE2 . TRP A 348 ? 0.2475 0.2577 0.2190 0.0393 -0.0013 -0.0425 338 TRP A CE2 +5841 C CE3 . TRP A 348 ? 0.2631 0.2486 0.2362 0.0361 -0.0036 -0.0425 338 TRP A CE3 +5842 C CZ2 . TRP A 348 ? 0.2663 0.2747 0.2377 0.0459 -0.0001 -0.0452 338 TRP A CZ2 +5843 C CZ3 . TRP A 348 ? 0.3018 0.2845 0.2746 0.0426 -0.0024 -0.0446 338 TRP A CZ3 +5844 C CH2 . TRP A 348 ? 0.2869 0.2809 0.2589 0.0476 -0.0007 -0.0462 338 TRP A CH2 +5855 N N . GLY A 349 ? 0.2149 0.2164 0.1891 0.0127 -0.0093 -0.0327 339 GLY A N +5856 C CA . GLY A 349 ? 0.2149 0.2126 0.1919 0.0087 -0.0105 -0.0297 339 GLY A CA +5857 C C . GLY A 349 ? 0.2089 0.1943 0.1882 0.0081 -0.0105 -0.0301 339 GLY A C +5858 O O . GLY A 349 ? 0.2189 0.2014 0.2009 0.0060 -0.0105 -0.0258 339 GLY A O +5862 N N . GLY A 350 ? 0.2196 0.1975 0.1975 0.0098 -0.0105 -0.0351 340 GLY A N +5863 C CA . GLY A 350 ? 0.2284 0.1939 0.2083 0.0090 -0.0104 -0.0349 340 GLY A CA +5864 C C . GLY A 350 ? 0.2386 0.2010 0.2204 0.0036 -0.0118 -0.0354 340 GLY A C +5865 O O . GLY A 350 ? 0.2499 0.2183 0.2309 0.0010 -0.0133 -0.0383 340 GLY A O +5869 N N . ARG A 351 ? 0.2307 0.1852 0.2152 0.0017 -0.0113 -0.0321 341 ARG A N +5870 C CA . ARG A 351 ? 0.2201 0.1727 0.2073 -0.0037 -0.0124 -0.0321 341 ARG A CA +5871 C C . ARG A 351 ? 0.2606 0.2073 0.2469 -0.0061 -0.0136 -0.0390 341 ARG A C +5872 O O . ARG A 351 ? 0.2717 0.2083 0.2563 -0.0037 -0.0129 -0.0423 341 ARG A O +5873 C CB . ARG A 351 ? 0.2470 0.1921 0.2370 -0.0047 -0.0111 -0.0271 341 ARG A CB +5874 C CG . ARG A 351 ? 0.2409 0.1854 0.2345 -0.0104 -0.0116 -0.0257 341 ARG A CG +5875 C CD . ARG A 351 ? 0.2712 0.2044 0.2657 -0.0134 -0.0117 -0.0292 341 ARG A CD +5876 N NE . ARG A 351 ? 0.2929 0.2269 0.2917 -0.0198 -0.0123 -0.0282 341 ARG A NE +5877 C CZ . ARG A 351 ? 0.2926 0.2213 0.2943 -0.0222 -0.0107 -0.0235 341 ARG A CZ +5878 N NH1 . ARG A 351 ? 0.2662 0.1878 0.2666 -0.0185 -0.0087 -0.0191 341 ARG A NH1 +5879 N NH2 . ARG A 351 ? 0.2917 0.2233 0.2979 -0.0284 -0.0113 -0.0231 341 ARG A NH2 +5893 N N . LYS A 352 ? 0.2481 0.2012 0.2356 -0.0107 -0.0155 -0.0414 342 LYS A N +5894 C CA . LYS A 352 ? 0.2627 0.2113 0.2497 -0.0144 -0.0172 -0.0487 342 LYS A CA +5895 C C . LYS A 352 ? 0.2837 0.2291 0.2757 -0.0211 -0.0179 -0.0472 342 LYS A C +5896 O O . LYS A 352 ? 0.2688 0.2190 0.2643 -0.0226 -0.0172 -0.0409 342 LYS A O +5897 C CB . LYS A 352 ? 0.2763 0.2371 0.2602 -0.0144 -0.0193 -0.0535 342 LYS A CB +5898 C CG . LYS A 352 ? 0.3197 0.2848 0.2988 -0.0082 -0.0183 -0.0549 342 LYS A CG +5899 C CD . LYS A 352 ? 0.5070 0.4596 0.4832 -0.0048 -0.0173 -0.0603 342 LYS A CD +5900 C CE . LYS A 352 ? 0.7551 0.7141 0.7263 0.0013 -0.0165 -0.0635 342 LYS A CE +5901 N NZ . LYS A 352 ? 1.0010 0.9654 0.9726 0.0058 -0.0144 -0.0567 342 LYS A NZ +5915 N N . ARG A 353 ? 0.3148 0.2524 0.3073 -0.0254 -0.0191 -0.0533 343 ARG A N +5916 C CA . ARG A 353 ? 0.3557 0.2906 0.3537 -0.0328 -0.0197 -0.0526 343 ARG A CA +5917 C C . ARG A 353 ? 0.3373 0.2820 0.3359 -0.0380 -0.0231 -0.0588 343 ARG A C +5918 O O . ARG A 353 ? 0.4061 0.3443 0.4029 -0.0405 -0.0246 -0.0669 343 ARG A O +5919 C CB . ARG A 353 ? 0.3681 0.2844 0.3666 -0.0343 -0.0183 -0.0538 343 ARG A CB +5920 C CG . ARG A 353 ? 0.3767 0.2858 0.3747 -0.0291 -0.0153 -0.0465 343 ARG A CG +5921 C CD . ARG A 353 ? 0.4485 0.3391 0.4470 -0.0301 -0.0137 -0.0464 343 ARG A CD +5922 N NE . ARG A 353 ? 0.4875 0.3735 0.4847 -0.0241 -0.0112 -0.0395 343 ARG A NE +5923 C CZ . ARG A 353 ? 0.4448 0.3328 0.4449 -0.0251 -0.0095 -0.0317 343 ARG A CZ +5924 N NH1 . ARG A 353 ? 0.4425 0.3368 0.4473 -0.0318 -0.0099 -0.0296 343 ARG A NH1 +5925 N NH2 . ARG A 353 ? 0.4331 0.3176 0.4312 -0.0193 -0.0076 -0.0263 343 ARG A NH2 +5939 N N . VAL A 354 ? 0.3371 0.2978 0.3380 -0.0390 -0.0242 -0.0555 344 VAL A N +5940 C CA . VAL A 354 ? 0.3047 0.2782 0.3063 -0.0433 -0.0277 -0.0605 344 VAL A CA +5941 C C . VAL A 354 ? 0.3184 0.3001 0.3273 -0.0497 -0.0286 -0.0570 344 VAL A C +5942 O O . VAL A 354 ? 0.3571 0.3496 0.3679 -0.0546 -0.0318 -0.0616 344 VAL A O +5943 C CB . VAL A 354 ? 0.3948 0.3830 0.3918 -0.0383 -0.0288 -0.0606 344 VAL A CB +5944 C CG1 . VAL A 354 ? 0.3802 0.3628 0.3702 -0.0333 -0.0285 -0.0661 344 VAL A CG1 +5945 C CG2 . VAL A 354 ? 0.3391 0.3341 0.3372 -0.0339 -0.0268 -0.0512 344 VAL A CG2 +5955 N N . PHE A 355 ? 0.3136 0.2916 0.3267 -0.0499 -0.0259 -0.0495 345 PHE A N +5956 C CA . PHE A 355 ? 0.3304 0.3163 0.3508 -0.0556 -0.0261 -0.0456 345 PHE A CA +5957 C C . PHE A 355 ? 0.5324 0.5058 0.5570 -0.0630 -0.0256 -0.0477 345 PHE A C +5958 O O . PHE A 355 ? 0.4443 0.4017 0.4676 -0.0615 -0.0230 -0.0458 345 PHE A O +5959 C CB . PHE A 355 ? 0.3106 0.3000 0.3330 -0.0516 -0.0232 -0.0364 345 PHE A CB +5960 C CG . PHE A 355 ? 0.3355 0.3356 0.3652 -0.0564 -0.0232 -0.0323 345 PHE A CG +5961 C CD1 . PHE A 355 ? 0.2948 0.3129 0.3269 -0.0565 -0.0255 -0.0319 345 PHE A CD1 +5962 C CD2 . PHE A 355 ? 0.3916 0.3847 0.4260 -0.0603 -0.0208 -0.0284 345 PHE A CD2 +5963 C CE1 . PHE A 355 ? 0.3720 0.4016 0.4116 -0.0606 -0.0255 -0.0284 345 PHE A CE1 +5964 C CE2 . PHE A 355 ? 0.3854 0.3901 0.4271 -0.0648 -0.0206 -0.0248 345 PHE A CE2 +5965 C CZ . PHE A 355 ? 0.3398 0.3628 0.3842 -0.0648 -0.0229 -0.0249 345 PHE A CZ +5975 N N . THR A 356 ? 0.4548 0.4361 0.4850 -0.0709 -0.0281 -0.0510 346 THR A N +5976 C CA . THR A 356 ? 1.2053 1.1752 1.2400 -0.0796 -0.0281 -0.0541 346 THR A CA +5977 C C . THR A 356 ? 0.9840 0.9322 1.0134 -0.0781 -0.0272 -0.0590 346 THR A C +5978 O O . THR A 356 ? 0.8859 0.8316 0.9093 -0.0754 -0.0292 -0.0665 346 THR A O +5979 C CB . THR A 356 ? 0.5781 0.5470 0.6196 -0.0832 -0.0250 -0.0456 346 THR A CB +5982 N N . CYS B . ? 0.2096 0.1810 0.1981 0.0010 -0.0079 0.0030 401 CYS A N +5983 C CA . CYS B . ? 0.1996 0.1669 0.1857 0.0015 -0.0081 0.0020 401 CYS A CA +5984 C C . CYS B . ? 0.2642 0.2274 0.2494 0.0027 -0.0068 0.0033 401 CYS A C +5985 O O . CYS B . ? 0.2889 0.2479 0.2726 0.0031 -0.0063 0.0029 401 CYS A O +5986 C CB . CYS B . ? 0.2146 0.1837 0.1990 0.0037 -0.0089 0.0012 401 CYS A CB +5987 S SG . CYS B . ? 0.1992 0.1682 0.1840 0.0060 -0.0080 0.0028 401 CYS A SG +5988 O OXT . CYS B . ? 0.2544 0.2191 0.2406 0.0037 -0.0063 0.0045 401 CYS A OXT +5992 FE FE . FE2 C . ? 0.2074 0.1834 0.1713 -0.0040 -0.0022 0.0061 402 FE2 A FE +5993 C C C CMO D . ? 0.2414 0.1816 0.1647 -0.0418 -0.0154 0.0191 403 CMO A C +5994 O O C CMO D . ? 0.2361 0.2170 0.1967 -0.0029 0.0039 -0.0113 403 CMO A O +5995 C C C CMO E . ? 0.2376 0.1343 0.1640 0.0197 -0.0052 0.0067 404 CMO A C +5996 O O C CMO E . ? 0.2167 0.1554 0.2226 -0.0016 -0.0231 0.0196 404 CMO A O +5997 C C . CYN F . ? 0.2786 0.1875 0.1465 0.0347 0.0139 0.0342 405 CYN A C +5998 N N . CYN F . ? 0.2140 0.1610 0.1921 0.0109 0.0485 -0.0217 405 CYN A N +5999 C C . PYR G . ? 0.5950 0.7499 0.8171 0.1452 0.1447 0.2687 406 PYR A C +6000 O O . PYR G . ? 0.6349 0.7175 0.8322 0.1953 0.1084 0.2851 406 PYR A O +6001 O OXT . PYR G . ? 0.6086 0.7857 0.7603 0.1018 0.1114 0.2439 406 PYR A OXT +6002 C CA . PYR G . ? 0.5713 0.7558 0.8623 0.1163 0.1600 0.3037 406 PYR A CA +6003 O O3 . PYR G . ? 0.5830 0.7969 0.9194 0.0716 0.1840 0.2931 406 PYR A O3 +6004 C CB . PYR G . ? 0.5347 0.7402 0.8255 0.1122 0.1751 0.3334 406 PYR A CB +6008 C C1 A GOL H . ? 0.5924 0.4585 0.4917 0.0717 0.0184 -0.0654 407 GOL A C1 +6009 O O1 A GOL H . ? 0.5899 0.4242 0.4666 -0.0126 -0.0089 -0.0710 407 GOL A O1 +6010 C C2 A GOL H . ? 0.5604 0.4833 0.4239 0.1797 0.0985 -0.0733 407 GOL A C2 +6011 O O2 A GOL H . ? 0.7117 0.5262 0.4656 0.1930 0.0491 -0.0270 407 GOL A O2 +6012 C C3 A GOL H . ? 0.5522 0.5188 0.5287 0.1498 0.0017 -0.1106 407 GOL A C3 +6013 O O3 A GOL H . ? 0.5881 0.5781 0.6137 0.0907 -0.0726 -0.0890 407 GOL A O3 +6020 N N . SAH I . ? 0.2154 0.1913 0.1831 -0.0149 0.0086 -0.0038 408 SAH A N +6021 C CA . SAH I . ? 0.2056 0.1617 0.1640 -0.0177 -0.0069 0.0038 408 SAH A CA +6022 C CB . SAH I . ? 0.2341 0.1932 0.2105 0.0516 0.0248 0.0613 408 SAH A CB +6023 C CG . SAH I . ? 0.2412 0.2184 0.2372 0.0883 0.0079 0.0016 408 SAH A CG +6024 S SD . SAH I . ? 0.2613 0.2552 0.2100 0.0081 0.0087 -0.0379 408 SAH A SD +6025 C C . SAH I . ? 0.2688 0.1607 0.1626 -0.0599 -0.0139 -0.0295 408 SAH A C +6026 O O . SAH I . ? 0.2378 0.1652 0.1825 -0.0211 0.0220 -0.0076 408 SAH A O +6027 O OXT . SAH I . ? 0.2397 0.1962 0.2058 -0.0362 0.0052 -0.0261 408 SAH A OXT +6028 C C5' . SAH I . ? 0.3316 0.2340 0.1829 0.1034 0.0701 0.0125 408 SAH A C5' +6029 C C4' . SAH I . ? 0.2565 0.1632 0.1953 0.0249 0.0570 -0.0009 408 SAH A C4' +6030 O O4' . SAH I . ? 0.2496 0.1742 0.2250 0.0168 0.0755 -0.0024 408 SAH A O4' +6031 C C3' . SAH I . ? 0.2068 0.1395 0.2076 -0.0090 -0.0068 0.0046 408 SAH A C3' +6032 O O3' . SAH I . ? 0.2356 0.1766 0.2273 -0.0083 0.0337 -0.0045 408 SAH A O3' +6033 C C2' . SAH I . ? 0.1912 0.1351 0.2246 -0.0023 -0.0039 -0.0058 408 SAH A C2' +6034 O O2' . SAH I . ? 0.2107 0.2092 0.2201 0.0078 0.0065 0.0267 408 SAH A O2' +6035 C C1' . SAH I . ? 0.2425 0.0997 0.2195 -0.0095 0.0234 -0.0018 408 SAH A C1' +6036 N N9 . SAH I . ? 0.1977 0.1141 0.2008 0.0210 0.0096 0.0324 408 SAH A N9 +6037 C C8 . SAH I . ? 0.2191 0.1859 0.1767 0.0552 0.0090 0.0449 408 SAH A C8 +6038 N N7 . SAH I . ? 0.2078 0.1665 0.1865 0.0115 0.0263 0.0280 408 SAH A N7 +6039 C C5 . SAH I . ? 0.2279 0.1505 0.1795 0.0121 0.0272 -0.0047 408 SAH A C5 +6040 C C6 . SAH I . ? 0.2040 0.1750 0.1551 0.0104 0.0093 0.0114 408 SAH A C6 +6041 N N6 . SAH I . ? 0.2230 0.1526 0.1674 0.0088 -0.0034 0.0139 408 SAH A N6 +6042 N N1 . SAH I . ? 0.1987 0.1780 0.1647 0.0160 -0.0043 0.0039 408 SAH A N1 +6043 C C2 . SAH I . ? 0.2037 0.1765 0.1738 0.0301 0.0214 0.0270 408 SAH A C2 +6044 N N3 . SAH I . ? 0.2118 0.1567 0.1785 0.0322 0.0187 0.0244 408 SAH A N3 +6045 C C4 . SAH I . ? 0.2004 0.1254 0.1876 0.0336 0.0214 0.0369 408 SAH A C4 +6065 P P . PO4 J . ? 0.9606 0.7634 1.2543 0.1627 -0.0012 -0.0284 409 PO4 A P +6066 O O1 . PO4 J . ? 0.9508 0.7692 1.2603 0.1514 -0.0346 -0.0476 409 PO4 A O1 +6067 O O2 . PO4 J . ? 0.9751 0.7499 1.2225 0.1655 -0.0387 -0.0189 409 PO4 A O2 +6068 O O3 . PO4 J . ? 0.9556 0.8104 1.2990 0.1198 0.0169 -0.0329 409 PO4 A O3 +6069 O O4 . PO4 J . ? 0.9721 0.7680 1.2660 0.1719 0.0347 -0.0003 409 PO4 A O4 +6070 P P . PO4 K . ? 0.3087 0.3647 0.4657 0.0170 -0.0008 0.1221 410 PO4 A P +6071 O O1 . PO4 K . ? 0.4072 0.3942 0.4919 -0.0104 0.1247 0.1403 410 PO4 A O1 +6072 O O2 . PO4 K . ? 0.3527 0.3806 0.5720 0.0170 -0.1138 0.0411 410 PO4 A O2 +6073 O O3 . PO4 K . ? 0.4181 0.4893 0.6381 -0.0365 -0.0366 0.0700 410 PO4 A O3 +6074 O O4 . PO4 K . ? 0.4902 0.3718 0.2910 0.0812 0.1252 0.0611 410 PO4 A O4 +6075 P P A PO4 L . ? 0.5925 0.6186 0.4168 0.1344 0.0302 -0.0386 411 PO4 A P +6076 P P B PO4 L . ? 0.4557 0.7085 0.6753 -0.1112 0.0008 0.1896 411 PO4 A P +6077 O O1 A PO4 L . ? 0.5867 0.5814 0.3909 0.1790 0.0094 -0.0407 411 PO4 A O1 +6078 O O1 B PO4 L . ? 0.4770 0.6784 0.7325 -0.1180 -0.0027 0.1978 411 PO4 A O1 +6079 O O2 A PO4 L . ? 0.4795 0.5914 0.3124 0.2190 0.0838 -0.0065 411 PO4 A O2 +6080 O O2 B PO4 L . ? 0.3953 0.6946 0.6197 -0.1248 -0.1071 0.1679 411 PO4 A O2 +6081 O O3 A PO4 L . ? 0.5837 0.5756 0.4302 0.2057 0.0653 0.0700 411 PO4 A O3 +6082 O O3 B PO4 L . ? 0.3391 0.6734 0.5493 -0.1547 -0.0725 0.1973 411 PO4 A O3 +6083 O O4 A PO4 L . ? 0.6271 0.5974 0.4271 0.1356 -0.0398 0.0486 411 PO4 A O4 +6084 O O4 B PO4 L . ? 0.5829 0.6976 0.6429 -0.1050 -0.0187 0.2590 411 PO4 A O4 +6085 P P . PO4 M . ? 0.5973 0.5601 0.7054 -0.1659 0.0249 0.0982 412 PO4 A P +6086 O O1 . PO4 M . ? 0.6259 0.5666 0.7112 -0.1531 0.0370 0.1361 412 PO4 A O1 +6087 O O2 . PO4 M . ? 0.6231 0.5722 0.7679 -0.2039 0.0060 0.0635 412 PO4 A O2 +6088 O O3 . PO4 M . ? 0.4639 0.5646 0.6406 -0.1746 0.0112 0.0801 412 PO4 A O3 +6089 O O4 . PO4 M . ? 0.5104 0.5208 0.6994 -0.2223 -0.0472 -0.0311 412 PO4 A O4 +6090 P P . PO4 N . ? 0.7127 0.3521 0.5505 -0.0385 0.0997 0.0136 413 PO4 A P +6091 O O1 . PO4 N . ? 0.7129 0.3377 0.5128 -0.0164 0.0111 -0.0778 413 PO4 A O1 +6092 O O2 . PO4 N . ? 0.7050 0.3840 0.5013 -0.0203 0.1891 -0.0705 413 PO4 A O2 +6093 O O3 . PO4 N . ? 0.7093 0.3546 0.4665 -0.0538 0.1186 0.1711 413 PO4 A O3 +6094 O O4 . PO4 N . ? 0.7140 0.2744 0.5969 -0.1304 0.0842 -0.0200 413 PO4 A O4 +6095 CL CL . CL O . ? 0.2405 0.2525 0.2247 0.0221 -0.0129 -0.0007 414 CL A CL +6096 FE FE1 . SF4 P . ? 0.2067 0.1716 0.1731 0.0028 0.0002 -0.0069 415 SF4 A FE1 +6097 FE FE2 . SF4 P . ? 0.2040 0.1781 0.1692 0.0064 -0.0008 -0.0028 415 SF4 A FE2 +6098 FE FE3 . SF4 P . ? 0.2086 0.1802 0.1693 0.0022 0.0014 -0.0021 415 SF4 A FE3 +6099 FE FE4 . SF4 P . ? 0.2344 0.1992 0.1894 -0.0066 0.0188 -0.0055 415 SF4 A FE4 +6100 S S1 . SF4 P . ? 0.2258 0.1934 0.1668 -0.0005 0.0046 -0.0025 415 SF4 A S1 +6101 S S2 . SF4 P . ? 0.2094 0.1828 0.1723 -0.0101 -0.0039 -0.0041 415 SF4 A S2 +6102 S S3 . SF4 P . ? 0.2049 0.1874 0.1671 0.0028 0.0091 -0.0145 415 SF4 A S3 +6103 S S4 . SF4 P . ? 0.1993 0.1851 0.1836 0.0003 0.0033 -0.0047 415 SF4 A S4 +6104 O O . HOH Q . ? 0.7134 0.7416 0.4439 -0.1885 0.0267 -0.1275 501 HOH A O +6105 O O . HOH Q . ? 0.3592 0.5264 0.7312 -0.1169 0.0753 -0.2047 502 HOH A O +6106 O O . HOH Q . ? 0.4732 0.4657 0.3331 -0.0961 -0.1106 -0.0060 503 HOH A O +6107 O O . HOH Q . ? 0.7366 1.1517 0.3469 0.1789 -0.0311 0.0328 504 HOH A O +6108 O O . HOH Q . ? 0.4080 0.6132 0.6176 -0.0560 -0.0333 -0.2273 505 HOH A O +6109 O O . HOH Q . ? 0.7182 0.4486 0.7679 -0.2183 0.1167 -0.1068 506 HOH A O +6110 O O . HOH Q . ? 0.2871 0.2859 0.2456 0.0005 -0.0560 -0.0428 507 HOH A O +6111 O O . HOH Q . ? 0.3464 0.7455 0.2096 0.0074 -0.0391 -0.0786 508 HOH A O +6112 O O . HOH Q . ? 0.3654 0.5060 0.7769 -0.1311 -0.1131 0.2148 509 HOH A O +6113 O O . HOH Q . ? 0.3605 0.4981 0.4577 0.0154 0.0522 0.0793 510 HOH A O +6114 O O . HOH Q . ? 0.5208 0.9963 0.5104 0.3595 0.0627 0.0538 511 HOH A O +6115 O O . HOH Q . ? 0.1744 0.1989 0.1520 0.0047 -0.0435 0.0163 512 HOH A O +6116 O O . HOH Q . ? 0.3488 0.8327 0.3410 0.0431 0.0227 -0.1925 513 HOH A O +6117 O O . HOH Q . ? 0.7624 0.6711 0.8697 -0.2364 0.3428 -0.2836 514 HOH A O +6118 O O . HOH Q . ? 0.3402 0.5110 1.0496 0.0761 0.0166 -0.2193 515 HOH A O +6119 O O . HOH Q . ? 0.5801 0.5873 0.4861 0.0764 -0.0245 0.0214 516 HOH A O +6120 O O . HOH Q . ? 0.5989 0.7729 0.7858 0.2222 -0.1640 0.0352 517 HOH A O +6121 O O . HOH Q . ? 0.8734 0.8900 0.4562 0.0948 0.3151 0.1109 518 HOH A O +6122 O O . HOH Q . ? 0.5732 0.9447 0.3835 0.1023 0.1017 -0.0287 519 HOH A O +6123 O O . HOH Q . ? 0.4157 0.7282 0.8490 0.0768 -0.0070 0.3913 520 HOH A O +6124 O O . HOH Q . ? 0.5423 0.3303 0.3212 -0.1700 -0.1578 0.0322 521 HOH A O +6125 O O . HOH Q . ? 0.3394 0.2389 0.2844 -0.0532 0.0643 -0.0221 522 HOH A O +6126 O O . HOH Q . ? 0.5869 0.3078 0.2830 0.0510 0.0204 0.0345 523 HOH A O +6127 O O . HOH Q . ? 0.3947 0.5719 1.0141 -0.0726 0.2531 -0.1741 524 HOH A O +6128 O O . HOH Q . ? 0.6779 0.5593 0.9894 0.2031 0.0607 0.0497 525 HOH A O +6129 O O . HOH Q . ? 0.6956 0.8649 0.3433 0.2871 -0.0682 -0.0897 526 HOH A O +6130 O O . HOH Q . ? 0.6456 0.3463 0.8381 0.1306 -0.2329 0.0811 527 HOH A O +6131 O O . HOH Q . ? 0.4906 0.6108 0.4966 -0.2024 -0.0440 -0.0511 528 HOH A O +6132 O O . HOH Q . ? 0.4139 1.0621 0.5264 0.0872 -0.1032 -0.2426 529 HOH A O +6133 O O . HOH Q . ? 0.6792 0.7195 0.4206 -0.2738 -0.0567 0.2413 530 HOH A O +6134 O O . HOH Q . ? 0.4575 0.4236 0.6772 0.0370 -0.2776 0.1190 531 HOH A O +6135 O O . HOH Q . ? 0.3743 0.2420 0.4010 -0.0756 -0.0520 0.0246 532 HOH A O +6136 O O . HOH Q . ? 0.3834 0.4742 0.5668 -0.0530 0.0629 -0.0045 533 HOH A O +6137 O O . HOH Q . ? 0.5265 0.6932 0.2735 0.1736 -0.0038 0.0526 534 HOH A O +6138 O O . HOH Q . ? 0.5599 0.6102 0.2956 0.0924 0.0333 0.1187 535 HOH A O +6139 O O . HOH Q . ? 0.4402 0.5702 0.3297 0.1921 -0.0608 -0.1101 536 HOH A O +6140 O O . HOH Q . ? 0.2859 0.2689 0.2235 -0.0091 -0.0021 0.0501 537 HOH A O +6141 O O . HOH Q . ? 0.2252 0.2781 0.1999 0.0045 0.0256 0.0489 538 HOH A O +6142 O O . HOH Q . ? 0.3880 0.5756 0.6713 0.0306 0.1227 0.2252 539 HOH A O +6143 O O . HOH Q . ? 0.3333 0.3058 0.2450 -0.0746 -0.0040 -0.0625 540 HOH A O +6144 O O . HOH Q . ? 0.4635 0.3433 0.3124 0.0394 0.0359 0.0708 541 HOH A O +6145 O O . HOH Q . ? 0.7732 0.6088 0.6512 0.1421 0.0536 -0.2940 542 HOH A O +6146 O O . HOH Q . ? 0.7707 0.3511 0.3119 0.2049 -0.2053 -0.0722 543 HOH A O +6147 O O . HOH Q . ? 0.5599 0.3657 0.9209 -0.0381 0.2868 -0.0149 544 HOH A O +6148 O O . HOH Q . ? 0.8874 0.3892 1.0919 -0.2046 -0.0271 0.0574 545 HOH A O +6149 O O . HOH Q . ? 0.8264 0.4992 0.6369 0.3208 -0.2820 -0.1482 546 HOH A O +6150 O O . HOH Q . ? 0.3271 0.7405 0.2740 -0.0287 -0.0495 0.1795 547 HOH A O +6151 O O . HOH Q . ? 0.4129 0.3816 0.3651 -0.0743 -0.0394 0.0716 548 HOH A O +6152 O O . HOH Q . ? 0.3707 0.5110 0.2139 0.0576 -0.0166 -0.0325 549 HOH A O +6153 O O . HOH Q . ? 0.2323 0.2022 0.1879 0.0142 0.0224 0.0189 550 HOH A O +6154 O O . HOH Q . ? 0.4222 0.6147 0.4803 0.0962 0.2446 0.1244 551 HOH A O +6155 O O . HOH Q . ? 0.5579 0.3486 0.2331 0.0666 0.0670 0.0241 552 HOH A O +6156 O O . HOH Q . ? 0.4297 0.3086 0.2837 -0.1375 0.0497 -0.0094 553 HOH A O +6157 O O . HOH Q . ? 0.3050 0.3723 0.2883 -0.0058 0.0127 -0.0238 554 HOH A O +6158 O O . HOH Q . ? 0.6605 0.4929 0.9090 -0.1669 0.3521 0.0289 555 HOH A O +6159 O O . HOH Q . ? 0.6771 0.8806 0.4480 0.4164 -0.0560 -0.0333 556 HOH A O +6160 O O . HOH Q . ? 0.4982 0.3497 0.4671 0.0268 -0.1116 0.0636 557 HOH A O +6161 O O . HOH Q . ? 0.3410 0.2126 0.2695 0.0549 -0.0455 -0.0360 558 HOH A O +6162 O O . HOH Q . ? 0.2025 0.2270 0.1654 0.0311 0.0153 -0.0020 559 HOH A O +6163 O O . HOH Q . ? 0.9987 0.7158 0.4341 0.3739 -0.0139 -0.1349 560 HOH A O +6164 O O . HOH Q . ? 0.3441 0.3597 0.3560 0.0584 -0.0447 0.0940 561 HOH A O +6165 O O . HOH Q . ? 0.3317 0.5057 0.6739 0.0564 -0.1504 -0.2976 562 HOH A O +6166 O O . HOH Q . ? 0.2846 0.2694 0.2423 -0.0722 0.0110 0.0279 563 HOH A O +6167 O O . HOH Q . ? 0.4605 0.4203 0.2066 -0.0390 -0.0318 -0.0208 564 HOH A O +6168 O O . HOH Q . ? 0.4592 0.3698 0.4518 0.2314 0.0666 0.0397 565 HOH A O +6169 O O . HOH Q . ? 0.2356 0.2047 0.1973 -0.0111 0.0028 0.0039 566 HOH A O +6170 O O . HOH Q . ? 0.2889 0.2532 0.2091 0.0144 0.0004 0.0350 567 HOH A O +6171 O O . HOH Q . ? 0.2216 0.4202 0.7513 -0.0152 -0.0009 -0.0133 568 HOH A O +6172 O O . HOH Q . ? 0.6695 0.5003 0.7540 0.1931 -0.0337 -0.0319 569 HOH A O +6173 O O . HOH Q . ? 0.2703 0.2305 0.1942 0.0456 0.0128 -0.0101 570 HOH A O +6174 O O . HOH Q . ? 0.5098 0.6125 0.4336 0.2815 -0.1634 -0.0714 571 HOH A O +6175 O O . HOH Q . ? 0.3804 0.2410 0.3103 0.0856 0.0430 0.0216 572 HOH A O +6176 O O . HOH Q . ? 0.2712 0.1949 0.2819 -0.0107 0.0046 0.0095 573 HOH A O +6177 O O . HOH Q . ? 0.3965 0.5716 1.1145 -0.1510 -0.1730 0.0933 574 HOH A O +6178 O O . HOH Q . ? 0.3308 0.2753 0.2282 -0.0040 0.0188 0.0016 575 HOH A O +6179 O O . HOH Q . ? 0.6345 0.3912 0.5550 0.1028 -0.0197 -0.0647 576 HOH A O +6180 O O . HOH Q . ? 0.4145 0.7115 0.5781 0.1727 -0.0326 -0.0896 577 HOH A O +6181 O O . HOH Q . ? 0.3001 0.6577 1.0151 -0.0647 0.0152 0.0251 578 HOH A O +6182 O O . HOH Q . ? 0.2241 0.3028 0.2789 -0.0530 -0.0479 0.0256 579 HOH A O +6183 O O . HOH Q . ? 0.2042 0.2480 0.2303 -0.0106 -0.0088 0.0416 580 HOH A O +6184 O O . HOH Q . ? 0.3792 0.3657 0.2469 0.0477 0.0614 -0.0066 581 HOH A O +6185 O O . HOH Q . ? 0.2967 0.2106 0.2577 0.0148 -0.0078 0.0137 582 HOH A O +6186 O O . HOH Q . ? 0.6699 0.5032 0.3563 0.1651 0.0731 0.0059 583 HOH A O +6187 O O . HOH Q . ? 0.7403 0.4093 0.4291 -0.1109 0.0425 -0.0457 584 HOH A O +6188 O O . HOH Q . ? 0.5946 0.7395 0.5051 -0.0677 -0.0892 -0.0903 585 HOH A O +6189 O O . HOH Q . ? 0.7119 0.3109 0.6444 0.1410 -0.1336 -0.1713 586 HOH A O +6190 O O . HOH Q . ? 0.2753 0.7690 0.3356 -0.1432 -0.0186 0.1154 587 HOH A O +6191 O O . HOH Q . ? 0.3917 0.3534 0.4339 0.0256 0.0483 -0.0100 588 HOH A O +6192 O O . HOH Q . ? 0.3257 0.4034 0.2703 0.0447 0.0087 0.0805 589 HOH A O +6193 O O . HOH Q . ? 0.3949 0.2632 0.5360 -0.0475 -0.2332 0.0504 590 HOH A O +6194 O O . HOH Q . ? 0.2462 0.2229 0.1681 0.0242 -0.0201 -0.0190 591 HOH A O +6195 O O . HOH Q . ? 0.4164 0.5513 0.5026 0.0171 -0.1372 0.1665 592 HOH A O +6196 O O . HOH Q . ? 0.2252 0.1956 0.2757 0.0194 -0.0212 -0.0344 593 HOH A O +6197 O O . HOH Q . ? 0.4557 0.9437 1.0796 -0.1348 -0.2194 0.0931 594 HOH A O +6198 O O . HOH Q . ? 0.3719 0.8067 1.0129 -0.0103 0.0414 0.3975 595 HOH A O +6199 O O . HOH Q . ? 0.5345 0.4614 0.3835 -0.0437 -0.0947 -0.0931 596 HOH A O +6200 O O . HOH Q . ? 0.3875 0.2814 0.4953 0.0229 0.0606 0.0339 597 HOH A O +6201 O O . HOH Q . ? 0.2470 0.2808 0.2053 0.0254 0.0265 0.0388 598 HOH A O +6202 O O . HOH Q . ? 0.3598 0.2760 0.4983 -0.0375 0.1117 -0.0288 599 HOH A O +6203 O O . HOH Q . ? 0.2399 0.1979 0.2267 0.0109 -0.0304 -0.0376 600 HOH A O +6204 O O . HOH Q . ? 0.3251 0.3140 0.3818 -0.0226 -0.0041 -0.1129 601 HOH A O +6205 O O . HOH Q . ? 1.1359 0.3130 0.7795 0.0786 0.0204 0.0741 602 HOH A O +6206 O O . HOH Q . ? 0.9865 0.6447 1.0104 0.1036 0.0990 0.3813 603 HOH A O +6207 O O . HOH Q . ? 0.8270 0.6181 0.3382 0.3328 -0.0568 0.0654 604 HOH A O +6208 O O . HOH Q . ? 0.3261 0.3731 0.2182 0.0556 0.0540 -0.0206 605 HOH A O +6209 O O . HOH Q . ? 0.2902 0.3133 0.2774 0.0227 -0.0497 -0.0615 606 HOH A O +6210 O O . HOH Q . ? 0.9347 0.3371 0.8077 -0.1281 -0.2417 0.0530 607 HOH A O +6211 O O . HOH Q . ? 0.5457 0.5673 0.2481 -0.0880 0.1182 0.0238 608 HOH A O +6212 O O . HOH Q . ? 0.5361 0.4218 0.4559 0.0453 -0.1376 -0.0777 609 HOH A O +6213 O O . HOH Q . ? 0.3677 0.2568 0.3274 0.0095 0.0001 -0.0186 610 HOH A O +6214 O O . HOH Q . ? 0.2214 0.2485 0.2078 0.0044 0.0157 0.0234 611 HOH A O +6215 O O . HOH Q . ? 0.3141 0.3096 0.2625 0.0312 0.0327 0.0207 612 HOH A O +6216 O O . HOH Q . ? 0.2258 0.2761 0.1769 0.0163 -0.0066 0.0115 613 HOH A O +6217 O O . HOH Q . ? 0.6430 0.5066 0.5245 0.2175 -0.1039 -0.1333 614 HOH A O +6218 O O . HOH Q . ? 1.1231 0.4186 0.4778 0.1322 0.0071 0.0052 615 HOH A O +6219 O O . HOH Q . ? 0.3393 0.5554 0.2927 -0.0468 0.0441 -0.0132 616 HOH A O +6220 O O . HOH Q . ? 0.2487 0.2484 0.1524 -0.0134 -0.0115 -0.0034 617 HOH A O +6221 O O . HOH Q . ? 0.3004 0.3553 0.2938 -0.0234 -0.0258 0.0182 618 HOH A O +6222 O O . HOH Q . ? 0.2628 0.3167 0.2764 -0.0315 0.0119 -0.0456 619 HOH A O +6223 O O . HOH Q . ? 0.3442 0.2455 0.2997 -0.0050 -0.0371 0.0015 620 HOH A O +6224 O O . HOH Q . ? 0.4066 0.3798 0.3145 -0.1445 0.1002 -0.0851 621 HOH A O +6225 O O . HOH Q . ? 0.2917 0.4274 0.4605 0.0049 0.0433 0.0878 622 HOH A O +6226 O O . HOH Q . ? 0.6042 0.4101 0.5475 0.1708 -0.1786 0.0450 623 HOH A O +6227 O O . HOH Q . ? 0.5737 0.3570 0.7655 0.0967 0.2390 -0.0167 624 HOH A O +6228 O O . HOH Q . ? 0.5675 0.4846 0.4704 -0.0260 -0.0429 0.0843 625 HOH A O +6229 O O . HOH Q . ? 0.3603 0.2763 0.6903 0.0132 0.0362 0.0124 626 HOH A O +6230 O O . HOH Q . ? 0.3327 0.2417 0.2628 -0.0157 -0.0245 -0.0110 627 HOH A O +6231 O O . HOH Q . ? 0.3807 0.2602 0.3299 -0.0830 -0.0079 -0.0257 628 HOH A O +6232 O O . HOH Q . ? 0.6521 0.4787 0.8624 0.1858 -0.1140 -0.1427 629 HOH A O +6233 O O . HOH Q . ? 0.2833 0.2407 0.3185 0.0305 -0.0171 -0.0102 630 HOH A O +6234 O O . HOH Q . ? 0.3398 0.4551 0.4138 -0.1176 0.0833 0.0380 631 HOH A O +6235 O O . HOH Q . ? 0.2886 0.5034 0.2613 -0.0034 0.0645 -0.0024 632 HOH A O +6236 O O . HOH Q . ? 0.2891 0.5650 0.2679 -0.0932 0.0413 0.0250 633 HOH A O +6237 O O . HOH Q . ? 0.2736 0.3130 0.2638 0.0124 0.0073 0.0111 634 HOH A O +6238 O O . HOH Q . ? 0.2671 0.4182 0.3285 -0.0360 -0.0224 0.1070 635 HOH A O +6239 O O . HOH Q . ? 0.5254 0.5644 0.2613 0.2329 -0.0944 -0.0029 636 HOH A O +6240 O O . HOH Q . ? 0.3667 0.3725 0.3358 0.0217 -0.0087 0.0771 637 HOH A O +6241 O O . HOH Q . ? 0.6677 0.3540 0.7037 0.0477 0.1200 -0.0849 638 HOH A O +6242 O O . HOH Q . ? 0.7743 0.4904 0.6650 -0.1320 0.3314 0.1025 639 HOH A O +6243 O O . HOH Q . ? 0.2228 0.1731 0.1461 -0.0041 -0.0147 -0.0091 640 HOH A O +6244 O O . HOH Q . ? 0.3893 0.4511 0.3903 0.1851 -0.0288 -0.1039 641 HOH A O +6245 O O . HOH Q . ? 0.3742 0.4770 0.7032 0.0274 -0.1393 -0.3047 642 HOH A O +6246 O O . HOH Q . ? 0.4139 0.7108 0.3320 0.0476 -0.0317 0.2365 643 HOH A O +6247 O O . HOH Q . ? 0.4989 0.8537 0.6889 0.0466 -0.0464 0.1387 644 HOH A O +6248 O O . HOH Q . ? 0.3378 0.5706 0.7976 0.1145 0.0413 -0.1590 645 HOH A O +6249 O O . HOH Q . ? 0.3420 0.3245 0.2751 -0.0328 -0.0270 -0.0006 646 HOH A O +6250 O O . HOH Q . ? 0.5640 0.3423 0.5239 0.1616 0.2113 0.0435 647 HOH A O +6251 O O . HOH Q . ? 0.5613 0.3409 0.4979 -0.1171 0.1721 -0.1277 648 HOH A O +6252 O O . HOH Q . ? 0.2669 0.2479 0.2480 -0.0013 -0.0166 -0.0090 649 HOH A O +6253 O O . HOH Q . ? 0.3905 0.4291 0.3453 -0.0212 -0.0878 0.0326 650 HOH A O +6254 O O . HOH Q . ? 0.2910 0.2911 0.2419 0.0160 -0.0134 -0.0131 651 HOH A O +6255 O O . HOH Q . ? 0.4602 0.4603 0.4402 0.0044 -0.0596 0.0482 652 HOH A O +6256 O O . HOH Q . ? 0.3082 0.2578 0.4305 0.0403 -0.0762 -0.0972 653 HOH A O +6257 O O . HOH Q . ? 0.2819 0.2762 0.2687 -0.0463 -0.0024 -0.0730 654 HOH A O +6258 O O . HOH Q . ? 0.3350 0.3559 0.3799 0.0934 -0.0011 -0.0766 655 HOH A O +6259 O O . HOH Q . ? 0.4768 0.3204 0.6322 -0.0212 -0.0283 -0.2055 656 HOH A O +6260 O O . HOH Q . ? 0.2235 0.2055 0.2063 0.0062 0.0248 0.0447 657 HOH A O +6261 O O . HOH Q . ? 0.3419 0.8298 0.3523 0.0746 0.0704 0.0383 658 HOH A O +6262 O O . HOH Q . ? 0.5312 1.0282 0.4862 -0.2275 0.0138 -0.1839 659 HOH A O +6263 O O . HOH Q . ? 0.3590 0.2514 0.5441 0.0188 0.0198 -0.0892 660 HOH A O +6264 O O . HOH Q . ? 0.7734 1.0996 0.4640 -0.2550 -0.0954 0.1619 661 HOH A O +6265 O O . HOH Q . ? 0.5771 0.2107 0.2162 0.0766 0.0446 0.0229 662 HOH A O +6266 O O . HOH Q . ? 0.4148 0.4334 0.2053 0.0759 -0.0183 -0.0368 663 HOH A O +6267 O O . HOH Q . ? 0.2776 0.4022 0.3225 -0.0381 0.0143 -0.0830 664 HOH A O +6268 O O . HOH Q . ? 0.3833 0.4354 0.4511 -0.1359 -0.0592 0.1091 665 HOH A O +6269 O O . HOH Q . ? 0.5920 0.7813 0.7713 -0.1056 0.0111 -0.0418 666 HOH A O +6270 O O . HOH Q . ? 0.2066 0.2001 0.1836 0.0210 0.0002 -0.0159 667 HOH A O +6271 O O . HOH Q . ? 0.7724 0.8968 0.6193 -0.1318 -0.1530 0.2453 668 HOH A O +6272 O O . HOH Q . ? 0.6756 0.3651 0.3534 -0.1918 0.2149 -0.1342 669 HOH A O +6273 O O . HOH Q . ? 0.5775 0.5800 1.0676 -0.0237 -0.2254 -0.1912 670 HOH A O +6274 O O . HOH Q . ? 0.3541 0.2046 0.2523 0.0564 0.0036 0.0070 671 HOH A O +6275 O O . HOH Q . ? 0.2499 0.1887 0.1848 0.0298 -0.0208 -0.0032 672 HOH A O +6276 O O . HOH Q . ? 0.2268 0.1578 0.2060 -0.0279 0.0022 0.0134 673 HOH A O +6277 O O . HOH Q . ? 0.2027 0.2145 0.1905 0.0207 -0.0225 -0.0253 674 HOH A O +6278 O O . HOH Q . ? 0.6962 0.3710 0.3171 -0.1564 0.1116 0.0758 675 HOH A O +6279 O O . HOH Q . ? 0.7534 0.6677 0.3898 -0.1037 0.2218 0.1438 676 HOH A O +6280 O O . HOH Q . ? 0.3714 0.4128 0.3406 0.0451 -0.0761 -0.0909 677 HOH A O +6281 O O . HOH Q . ? 0.5454 0.6180 0.2573 -0.1802 -0.0571 0.1268 678 HOH A O +6282 O O . HOH Q . ? 0.8136 0.5410 0.5449 0.1164 0.2055 0.1451 679 HOH A O +6283 O O . HOH Q . ? 0.2893 0.4304 0.7239 0.1018 -0.0110 0.1880 680 HOH A O +6284 O O . HOH Q . ? 0.4143 0.3784 0.2275 0.1845 0.0211 -0.0038 681 HOH A O +6285 O O . HOH Q . ? 0.2918 0.3144 0.5068 -0.0807 -0.0026 -0.0158 682 HOH A O +6286 O O . HOH Q . ? 0.3031 0.3313 0.3670 -0.0058 0.0640 0.0371 683 HOH A O +6287 O O . HOH Q . ? 0.5834 0.4675 0.4449 0.1886 -0.1189 -0.1163 684 HOH A O +6288 O O . HOH Q . ? 0.2272 0.8212 0.2546 -0.0001 -0.0032 0.1533 685 HOH A O +6289 O O . HOH Q . ? 0.3030 0.4712 0.3710 0.0072 0.0619 0.0534 686 HOH A O +6290 O O . HOH Q . ? 0.3444 0.3285 0.4129 0.0299 -0.1720 0.0453 687 HOH A O +6291 O O . HOH Q . ? 0.4190 0.6136 0.8463 -0.1574 0.2151 0.0139 688 HOH A O +6292 O O . HOH Q . ? 0.4712 0.4808 0.4017 0.1434 0.1115 0.0029 689 HOH A O +6293 O O . HOH Q . ? 0.6202 0.4296 0.4523 -0.0128 -0.0921 0.1290 690 HOH A O +6294 O O . HOH Q . ? 0.7178 0.5420 0.6725 0.2135 -0.2781 -0.2153 691 HOH A O +6295 O O . HOH Q . ? 0.7386 0.6001 0.5895 0.3508 -0.2951 -0.2397 692 HOH A O +6296 O O . HOH Q . ? 0.7157 0.3918 0.5119 -0.0614 0.1844 -0.0629 693 HOH A O +6297 O O . HOH Q . ? 0.4393 0.2862 1.1058 0.0061 0.0215 0.0791 694 HOH A O +6298 O O . HOH Q . ? 0.4191 0.6270 0.6252 0.1892 -0.2431 -0.1304 695 HOH A O +6299 O O . HOH Q . ? 0.5755 0.2603 0.7627 -0.0189 0.1121 0.0290 696 HOH A O +6300 O O . HOH Q . ? 0.4768 0.3206 0.2205 0.0245 -0.0418 0.0187 697 HOH A O +6301 O O . HOH Q . ? 0.3750 0.3095 0.4289 0.0637 -0.0631 -0.0774 698 HOH A O +6302 O O . HOH Q . ? 0.3516 0.3502 0.3818 0.0016 0.0535 0.1512 699 HOH A O +6303 O O . HOH Q . ? 1.0455 0.5576 0.4308 -0.0744 -0.0752 0.1473 700 HOH A O +6304 O O B HOH Q . ? 0.4355 0.3026 0.2751 -0.0024 0.0709 -0.0654 701 HOH A O +6305 O O . HOH Q . ? 0.3703 0.3102 0.3232 0.0163 -0.0653 0.0233 702 HOH A O +6306 O O . HOH Q . ? 0.5811 0.6779 0.3489 0.1433 0.0445 -0.1946 703 HOH A O +6307 O O . HOH Q . ? 0.2662 0.4877 0.4519 -0.0320 -0.0090 -0.0048 704 HOH A O +6308 O O . HOH Q . ? 0.6476 0.4062 0.7220 -0.0936 0.1481 -0.2780 705 HOH A O +6309 O O . HOH Q . ? 0.7700 0.4225 0.8116 0.2051 -0.0268 0.0287 706 HOH A O +6310 O O . HOH Q . ? 0.6749 0.2876 0.4679 -0.0126 -0.0584 0.1255 707 HOH A O +6311 O O . HOH Q . ? 0.5979 0.2310 0.2362 0.0599 -0.0365 0.0513 708 HOH A O +6312 O O . HOH Q . ? 0.4262 0.4280 0.2269 0.0036 -0.0167 -0.0406 709 HOH A O +6313 O O . HOH Q . ? 0.5678 0.6499 0.7662 0.1937 0.0558 -0.0220 710 HOH A O +6314 O O . HOH Q . ? 0.3492 0.3017 0.3110 0.0061 -0.0032 0.0014 711 HOH A O +6315 O O . HOH Q . ? 0.1891 0.1559 0.1646 0.0055 0.0061 0.0188 712 HOH A O +6316 O O . HOH Q . ? 0.3207 0.3761 0.2695 0.0823 -0.0141 0.0546 713 HOH A O +6317 O O . HOH Q . ? 0.4685 0.8619 0.5141 0.0806 0.0062 -0.0325 714 HOH A O +6318 O O . HOH Q . ? 0.4731 0.4283 0.8803 -0.1116 0.2106 -0.0631 715 HOH A O +6319 O O B HOH Q . ? 0.3331 0.1877 0.2576 -0.0120 -0.0583 -0.0183 716 HOH A O +6320 O O . HOH Q . ? 0.4295 0.5809 0.7887 -0.0193 -0.0855 0.0306 717 HOH A O +6321 O O . HOH Q . ? 0.5930 0.7105 0.4702 0.0141 -0.2190 0.2071 718 HOH A O +6322 O O . HOH Q . ? 0.4169 0.5421 0.4279 -0.1767 0.0243 0.2082 719 HOH A O +6323 O O . HOH Q . ? 0.4962 0.5118 0.7822 -0.0813 -0.0892 0.1018 720 HOH A O +6324 O O . HOH Q . ? 0.4664 0.2495 0.4006 0.0425 0.0328 -0.0141 721 HOH A O +6325 O O . HOH Q . ? 0.4260 0.4105 0.3530 -0.0690 -0.1586 -0.0298 722 HOH A O +6326 O O . HOH Q . ? 0.2661 0.2673 0.3000 0.0058 -0.0141 -0.0320 723 HOH A O +6327 O O . HOH Q . ? 0.5960 0.2160 0.2459 0.1512 0.0210 -0.0009 724 HOH A O +6328 O O . HOH Q . ? 0.8951 0.6634 0.5919 -0.2385 0.3717 -0.0788 725 HOH A O +6329 O O . HOH Q . ? 0.3586 0.3557 0.4543 0.0556 0.1487 -0.0264 726 HOH A O +6330 O O . HOH Q . ? 0.3445 0.2985 0.4051 -0.0441 -0.0787 0.0125 727 HOH A O +6331 O O . HOH Q . ? 0.3774 0.2823 0.2097 0.0280 0.0633 -0.0589 728 HOH A O +6332 O O . HOH Q . ? 0.3829 0.4320 0.3339 -0.0168 -0.0100 0.1089 729 HOH A O +6333 O O . HOH Q . ? 0.3741 0.5262 0.7654 0.1432 -0.1866 -0.3504 730 HOH A O +6334 O O . HOH Q . ? 0.2983 0.3362 0.4520 -0.0245 -0.0421 0.0250 731 HOH A O +6335 O O . HOH Q . ? 0.2419 0.5666 0.4044 0.0567 -0.0026 0.1102 732 HOH A O +6336 O O . HOH Q . ? 0.7654 0.4031 0.2447 -0.0727 0.0380 -0.0211 733 HOH A O +6337 O O . HOH Q . ? 0.4136 0.4478 0.3479 -0.0248 0.0131 -0.1505 734 HOH A O +6338 O O . HOH Q . ? 0.3546 0.4024 0.5608 0.0577 0.0894 -0.0072 735 HOH A O +6339 O O . HOH Q . ? 0.2602 0.2694 0.2444 -0.0001 0.0700 0.0476 736 HOH A O +6340 O O . HOH Q . ? 0.4320 0.3682 0.6709 -0.0173 -0.0623 0.0057 737 HOH A O +6341 O O . HOH Q . ? 0.8885 0.3896 0.7249 -0.0697 0.0294 -0.2088 738 HOH A O +6342 O O . HOH Q . ? 0.3704 0.5001 0.5884 0.0770 -0.1032 0.0488 739 HOH A O +6343 O O . HOH Q . ? 0.7731 0.6532 0.6227 -0.0172 -0.1098 -0.0375 740 HOH A O +6344 O O . HOH Q . ? 0.5975 0.3687 0.4075 -0.1239 0.1243 -0.1469 741 HOH A O +6345 O O . HOH Q . ? 0.2955 0.4062 0.2179 0.0355 -0.0012 0.0476 742 HOH A O +6346 O O . HOH Q . ? 0.4372 0.3472 0.3236 0.0504 -0.0643 -0.0760 743 HOH A O +6347 O O . HOH Q . ? 0.7064 0.6271 0.4532 0.1179 0.0966 0.2066 744 HOH A O +6348 O O . HOH Q . ? 0.2660 0.2846 0.2833 0.0213 -0.0154 0.0751 745 HOH A O +6349 O O . HOH Q . ? 0.3973 0.3716 0.7159 -0.0306 0.0600 0.1760 746 HOH A O +6350 O O . HOH Q . ? 0.3304 0.4398 0.4628 0.0311 -0.0665 0.0231 747 HOH A O +6351 O O . HOH Q . ? 0.5572 0.3895 0.4843 -0.0205 0.0396 0.1125 748 HOH A O +6352 O O . HOH Q . ? 0.2735 0.6247 0.3424 0.0110 -0.0667 -0.0645 749 HOH A O +6353 O O . HOH Q . ? 0.7881 0.6054 0.5413 0.1448 0.2380 0.1751 750 HOH A O +6354 O O . HOH Q . ? 0.8159 0.4805 0.6551 0.1341 0.0683 -0.0999 751 HOH A O +6355 O O . HOH Q . ? 0.5004 0.4313 0.3887 0.2047 0.0813 -0.0219 752 HOH A O +6356 O O . HOH Q . ? 0.3040 0.2669 0.2413 0.0149 0.0051 0.0405 753 HOH A O +6357 O O . HOH Q . ? 0.7844 0.5744 0.4768 -0.2569 0.0221 -0.1170 754 HOH A O +6358 O O . HOH Q . ? 0.4815 0.5795 0.2788 -0.1410 0.0284 0.0297 755 HOH A O +6359 O O . HOH Q . ? 0.4557 0.7729 0.6978 0.0227 -0.1049 0.3240 756 HOH A O +6360 O O . HOH Q . ? 0.8127 0.3299 0.3166 0.1728 0.1941 0.0848 757 HOH A O +6361 O O . HOH Q . ? 0.2992 0.5549 0.3423 0.0540 0.0320 0.1239 758 HOH A O +6362 O O . HOH Q . ? 0.8903 0.6311 0.5799 -0.0599 0.1930 -0.0376 759 HOH A O +6363 O O . HOH Q . ? 0.3474 0.5480 1.2695 -0.0333 -0.0672 0.1691 760 HOH A O +6364 O O . HOH Q . ? 0.6790 0.5842 0.2868 0.2606 0.0540 0.1318 761 HOH A O +6365 O O . HOH Q . ? 0.3592 0.9310 0.3274 -0.0568 0.0434 -0.2169 762 HOH A O +6366 O O . HOH Q . ? 0.4298 0.2287 0.2763 0.0180 0.0704 0.0291 763 HOH A O +6367 O O . HOH Q . ? 0.7935 0.2879 0.5203 0.0266 -0.0832 -0.0798 764 HOH A O +6368 O O . HOH Q . ? 0.3504 0.3835 0.4078 -0.1035 -0.1051 0.0415 765 HOH A O +6369 O O . HOH Q . ? 0.7302 0.3062 0.6132 -0.0582 -0.2092 -0.0325 766 HOH A O +6370 O O . HOH Q . ? 0.3033 0.4044 0.3483 0.0343 0.0952 -0.0364 767 HOH A O +6371 O O . HOH Q . ? 0.4835 0.9521 0.3608 0.1640 -0.0304 0.2063 768 HOH A O +6372 O O . HOH Q . ? 0.9006 0.5232 0.5273 0.1508 -0.2757 -0.1663 769 HOH A O +6373 O O . HOH Q . ? 0.8202 0.9151 0.5301 0.1649 -0.1036 -0.3347 770 HOH A O +6374 O O A HOH Q . ? 0.5613 0.5965 0.4355 0.2362 0.1441 0.1583 771 HOH A O +6375 O O B HOH Q . ? 0.3358 0.2166 0.2529 -0.0864 -0.0780 0.0707 771 HOH A O +6376 O O . HOH Q . ? 0.5371 0.8574 1.0462 0.1631 0.1206 0.5399 772 HOH A O +6377 O O . HOH Q . ? 0.6625 0.8869 0.5993 0.0480 -0.3357 -0.0330 773 HOH A O +6378 O O . HOH Q . ? 0.2297 0.2645 0.3686 -0.0424 -0.0147 -0.0168 774 HOH A O +6379 O O . HOH Q . ? 0.3131 0.6280 0.7833 -0.0861 -0.1162 0.2887 775 HOH A O +6380 O O . HOH Q . ? 0.5991 0.5063 0.5527 0.2210 -0.1022 0.0370 776 HOH A O +6381 O O . HOH Q . ? 0.5621 0.6646 0.3910 0.1844 -0.0581 -0.1444 777 HOH A O +6382 O O . HOH Q . ? 1.0020 0.5028 0.4631 0.0542 -0.1352 -0.0968 778 HOH A O +6383 O O . HOH Q . ? 0.3915 0.3777 0.4295 0.0703 0.0242 -0.0286 779 HOH A O +6384 O O . HOH Q . ? 0.8170 0.6450 0.4137 -0.1989 0.1348 0.0368 780 HOH A O +6385 O O . HOH Q . ? 0.5968 0.5792 0.7375 -0.0581 0.0254 -0.2987 781 HOH A O +6386 O O . HOH Q . ? 0.4274 0.4732 0.8601 -0.0990 -0.0526 -0.1307 782 HOH A O +6387 O O . HOH Q . ? 0.2288 0.5554 0.3216 -0.0285 0.0419 0.1657 783 HOH A O +6388 O O . HOH Q . ? 0.7554 0.5148 0.4738 -0.0299 -0.2847 -0.0287 784 HOH A O +6389 O O . HOH Q . ? 0.9633 0.2872 0.2772 0.1504 -0.0560 -0.0004 785 HOH A O +6390 O O . HOH Q . ? 1.0168 0.6587 0.5479 0.1765 0.0463 0.1824 786 HOH A O +6391 O O . HOH Q . ? 0.8299 0.7970 0.9448 -0.0535 0.2563 -0.1331 787 HOH A O +6392 O O . HOH Q . ? 0.7884 0.4502 0.7612 -0.1780 -0.2596 0.0751 788 HOH A O +6393 O O . HOH Q . ? 0.8048 0.3749 0.6638 0.0261 0.0239 0.1073 789 HOH A O +6394 O O . HOH Q . ? 0.6910 0.5314 0.5369 -0.1296 -0.0741 0.1168 790 HOH A O +6395 O O . HOH Q . ? 0.4726 0.6887 0.7288 -0.0201 0.0455 -0.1060 791 HOH A O +6396 O O . HOH Q . ? 0.6476 0.6463 0.7232 0.1548 0.0288 0.1360 792 HOH A O +6397 O O . HOH Q . ? 0.8591 0.5020 0.6376 -0.0340 0.0966 0.0920 793 HOH A O +6398 O O . HOH Q . ? 0.7101 0.3262 1.0575 -0.0381 -0.1343 -0.1555 794 HOH A O +6399 O O . HOH Q . ? 0.8332 0.5795 0.6234 0.2820 -0.2286 -0.0906 795 HOH A O +6400 O O . HOH Q . ? 0.5359 0.8046 0.5561 0.0419 -0.2735 -0.1666 796 HOH A O +6401 O O . HOH Q . ? 0.4209 0.3329 0.3048 0.1313 -0.0043 0.0244 797 HOH A O +6402 O O . HOH Q . ? 0.3621 0.3931 0.4225 -0.0125 -0.0549 -0.0587 798 HOH A O +6403 O O . HOH Q . ? 0.6796 0.5931 0.8048 0.1599 -0.1876 -0.1934 799 HOH A O +6404 O O . HOH Q . ? 0.8271 0.5270 0.6188 0.1161 -0.1684 -0.0295 800 HOH A O +6405 O O . HOH Q . ? 0.5771 0.6289 0.9144 0.1884 -0.0837 0.0890 801 HOH A O +6406 O O . HOH Q . ? 0.5480 0.8706 0.3749 0.0763 0.0192 0.0473 802 HOH A O +6407 O O . HOH Q . ? 0.8951 0.5616 0.5945 0.1794 -0.2489 -0.2558 803 HOH A O +6408 O O . HOH Q . ? 0.5251 0.5505 0.4360 0.0699 -0.1894 -0.2188 804 HOH A O +6409 O O . HOH Q . ? 0.4728 0.7535 0.4232 -0.1555 -0.0433 0.0168 805 HOH A O +6410 O O . HOH Q . ? 0.5941 0.6553 0.6582 0.0673 -0.1287 -0.2036 806 HOH A O +6411 O O . HOH Q . ? 0.5797 0.7817 0.4910 0.3175 -0.1677 -0.2999 807 HOH A O +6412 O O . HOH Q . ? 0.3815 0.5479 0.2694 0.1912 0.0232 0.0326 808 HOH A O +6413 O O A HOH Q . ? 0.4700 0.3587 0.4609 -0.0680 0.0339 -0.0352 809 HOH A O +6414 O O . HOH Q . ? 0.4840 0.4355 0.5352 -0.0257 -0.2164 0.0218 810 HOH A O +6415 O O . HOH Q . ? 0.5878 0.7862 0.6136 0.0521 0.0377 0.1939 811 HOH A O +6416 O O . HOH Q . ? 1.0437 0.4017 0.8485 -0.2193 0.1958 -0.0109 812 HOH A O +6417 O O . HOH Q . ? 0.6161 0.4809 0.8024 -0.1265 -0.2149 -0.1294 813 HOH A O +6418 O O . HOH Q . ? 0.2799 0.4252 0.4913 -0.0370 0.0409 0.1573 814 HOH A O +6419 O O . HOH Q . ? 0.5129 0.4866 0.4149 -0.0791 0.0300 -0.0495 815 HOH A O +6420 O O . HOH Q . ? 0.6604 0.3077 0.7707 0.0328 0.1150 -0.1034 816 HOH A O +6421 O O . HOH Q . ? 0.6824 0.4738 0.9015 -0.0746 0.2640 -0.2674 817 HOH A O +6422 O O . HOH Q . ? 0.9548 0.7094 0.6999 0.4138 -0.1338 -0.0163 818 HOH A O +6423 O O . HOH Q . ? 0.5667 0.7803 0.5306 0.1854 -0.1300 -0.2572 819 HOH A O +6424 O O . HOH Q . ? 0.6998 1.1501 0.8955 0.0193 -0.1627 0.1244 820 HOH A O +6425 O O . HOH Q . ? 0.8060 0.4382 0.4546 -0.1026 0.1761 -0.1014 821 HOH A O +6426 O O . HOH Q . ? 0.5733 0.7020 0.3099 0.0291 -0.0850 -0.0053 822 HOH A O +6427 O O . HOH Q . ? 0.7499 0.6637 0.6828 0.3374 -0.0904 -0.0209 823 HOH A O +6428 O O . HOH Q . ? 0.8650 0.4630 0.7432 -0.1601 -0.0355 -0.1606 824 HOH A O +6429 O O . HOH Q . ? 0.4319 0.9385 0.7246 0.2020 -0.1919 -0.2212 825 HOH A O +6430 O O . HOH Q . ? 0.3435 0.4032 0.3404 0.0130 -0.0410 -0.0176 826 HOH A O +6431 O O . HOH Q . ? 0.6262 0.3624 0.2616 -0.0477 -0.0343 0.0234 827 HOH A O +6432 O O . HOH Q . ? 0.7337 0.4440 0.6220 0.1827 -0.0780 -0.1225 828 HOH A O +6433 O O . HOH Q . ? 0.5538 0.5247 0.3088 -0.0360 0.0085 0.0055 829 HOH A O +6434 O O . HOH Q . ? 0.4720 0.3275 0.4247 -0.2061 0.1011 0.0162 830 HOH A O +6435 O O . HOH Q . ? 0.6163 1.1107 0.8738 -0.0372 0.2069 0.1748 831 HOH A O +6436 O O . HOH Q . ? 0.6562 0.3698 0.9841 -0.0115 0.0077 0.1257 832 HOH A O +6437 O O . HOH Q . ? 0.3006 0.5175 0.2897 -0.0454 -0.0677 0.0666 833 HOH A O +6438 O O . HOH Q . ? 0.3386 0.4232 0.4604 0.0418 0.0327 0.1868 834 HOH A O +6439 O O . HOH Q . ? 0.7220 0.5932 0.4810 0.0798 0.0008 -0.1393 835 HOH A O +6440 O O . HOH Q . ? 0.8240 0.7835 0.3548 -0.0516 0.0772 0.1439 836 HOH A O +6441 O O . HOH Q . ? 0.6047 0.8590 0.7351 -0.1621 -0.1059 -0.2020 837 HOH A O +6442 O O . HOH Q . ? 0.8139 0.5424 0.5894 0.3813 0.0164 0.0422 838 HOH A O +6443 O O . HOH Q . ? 0.5659 0.4777 0.5457 0.0191 0.1005 -0.0918 839 HOH A O +6444 O O . HOH Q . ? 0.7130 0.6815 0.6673 0.1083 0.1873 -0.0667 840 HOH A O +6445 O O . HOH Q . ? 0.6788 0.8754 0.6751 -0.0851 0.1952 -0.0275 841 HOH A O +6446 O O . HOH Q . ? 0.5052 0.4271 0.9239 0.0303 0.0758 0.1835 842 HOH A O +6447 O O . HOH Q . ? 0.8880 0.5099 0.7274 -0.2242 -0.0351 0.1132 843 HOH A O +6448 O O . HOH Q . ? 0.4528 0.7283 0.4972 -0.0448 -0.0683 -0.1869 844 HOH A O +6449 O O . HOH Q . ? 1.0358 0.5181 0.3689 0.3500 0.0588 0.0133 845 HOH A O +6450 O O . HOH Q . ? 0.6427 0.3133 0.4470 -0.0171 0.1453 0.0493 846 HOH A O +6451 O O . HOH Q . ? 0.3433 0.3406 0.4070 -0.0508 0.0579 -0.0196 847 HOH A O +6452 O O . HOH Q . ? 0.4178 0.6563 0.9521 -0.1338 0.0764 -0.1104 848 HOH A O +6453 O O . HOH Q . ? 0.9256 0.5721 0.4418 0.1912 -0.3111 -0.0660 849 HOH A O +6454 O O . HOH Q . ? 0.5009 0.7203 0.4360 -0.1221 0.1796 -0.0268 850 HOH A O +6455 O O . HOH Q . ? 0.6924 0.6152 0.5853 0.0497 -0.0331 0.1355 851 HOH A O +6456 O O . HOH Q . ? 0.9110 0.3387 0.6320 -0.0883 0.2262 0.1002 852 HOH A O +6457 O O . HOH Q . ? 0.3114 0.6269 0.4638 -0.0591 0.0872 0.0614 853 HOH A O +6458 O O . HOH Q . ? 0.6865 0.7276 0.4494 0.1207 0.0322 0.2510 854 HOH A O +6459 O O . HOH Q . ? 0.6344 0.6086 0.4738 -0.2669 0.0054 0.0360 855 HOH A O +6460 O O . HOH Q . ? 1.1332 0.5195 0.7783 -0.0226 -0.1341 -0.2102 856 HOH A O +6461 O O . HOH Q . ? 0.6704 0.4627 0.7718 -0.1547 0.1176 0.0416 857 HOH A O +6462 O O . HOH Q . ? 0.5406 0.5007 0.5693 0.1619 -0.1331 -0.0905 858 HOH A O +6463 O O . HOH Q . ? 0.4563 0.5155 0.5500 0.1229 -0.0009 -0.0880 859 HOH A O +6464 O O . HOH Q . ? 0.3991 0.3168 0.3627 0.0253 0.0347 0.0019 860 HOH A O +6465 O O . HOH Q . ? 0.3406 0.5410 1.0810 0.1140 -0.0990 -0.1135 861 HOH A O +6466 O O . HOH Q . ? 0.3900 0.3099 0.3231 0.1209 0.0471 0.0661 862 HOH A O +6467 O O . HOH Q . ? 0.9694 0.9540 0.8029 0.1696 -0.1218 -0.0648 863 HOH A O +6468 O O . HOH Q . ? 0.5086 0.5638 0.6042 -0.1037 0.0310 -0.1219 864 HOH A O +6469 O O . HOH Q . ? 0.4517 0.6174 0.9757 -0.0343 0.0584 -0.2036 865 HOH A O +6470 O O . HOH Q . ? 0.7253 0.8583 0.3626 -0.1662 0.0823 0.0172 866 HOH A O +6471 O O . HOH Q . ? 0.5515 0.8791 0.4633 0.1583 -0.0475 -0.0715 867 HOH A O +6472 O O . HOH Q . ? 0.4849 0.5425 0.7323 -0.0819 -0.0896 0.0341 868 HOH A O +6473 O O . HOH Q . ? 0.4496 0.4610 0.8563 -0.0608 -0.0120 -0.1835 869 HOH A O +6474 O O . HOH Q . ? 0.8829 0.7446 0.5457 -0.2078 -0.1871 -0.1694 870 HOH A O +6475 O O . HOH Q . ? 0.4762 1.0801 0.5182 0.1164 -0.0606 -0.0767 871 HOH A O +6476 O O . HOH Q . ? 0.3540 0.3280 0.2563 -0.0561 0.0034 0.0537 872 HOH A O +6477 O O B HOH Q . ? 0.4030 0.7385 0.7380 0.0753 -0.0167 -0.2548 873 HOH A O +6478 O O . HOH Q . ? 0.8073 0.6298 0.3328 0.2743 0.0756 -0.0129 874 HOH A O +6479 O O . HOH Q . ? 0.3654 0.5550 0.4905 0.0901 0.0731 0.1775 875 HOH A O +6480 O O . HOH Q . ? 0.5483 0.4675 0.5619 -0.0764 -0.1509 -0.0800 876 HOH A O +6481 O O . HOH Q . ? 0.4041 0.7102 0.4240 -0.0167 -0.0439 -0.0944 877 HOH A O +6482 O O . HOH Q . ? 0.5242 0.4362 0.3308 -0.0850 0.0731 0.1187 878 HOH A O +6483 O O . HOH Q . ? 0.6369 0.6855 0.5113 0.0271 -0.0026 -0.1047 879 HOH A O +6484 O O . HOH Q . ? 0.3624 0.6822 0.6741 0.0297 0.0381 -0.2576 880 HOH A O +6485 O O . HOH Q . ? 0.5481 0.4679 0.3503 0.1324 0.0330 0.0941 881 HOH A O +6486 O O . HOH Q . ? 0.5447 0.3386 0.8114 -0.0444 0.2904 -0.1251 882 HOH A O +6487 O O . HOH Q . ? 0.2965 0.5756 0.3711 -0.0302 -0.0764 0.0343 883 HOH A O +6488 O O . HOH Q . ? 0.4979 0.4863 0.6246 0.1438 0.1649 -0.0392 884 HOH A O +6489 O O . HOH Q . ? 0.5930 0.4492 0.5032 -0.0730 0.1596 -0.0490 885 HOH A O +6490 O O . HOH Q . ? 0.4839 0.7018 0.6239 -0.1044 -0.1333 0.1885 886 HOH A O +6491 O O . HOH Q . ? 0.5149 0.3867 0.4364 -0.0291 0.0190 -0.0137 887 HOH A O +6492 O O . HOH Q . ? 0.3797 0.3712 1.1245 0.0002 0.0332 0.1160 888 HOH A O +6493 O O . HOH Q . ? 0.3965 0.6099 0.8942 -0.0397 -0.1617 -0.0234 889 HOH A O +6494 O O . HOH Q . ? 0.6224 0.7726 0.5666 -0.2128 0.0248 0.1114 890 HOH A O +6495 O O . HOH Q . ? 0.7313 0.7023 0.7370 0.1053 -0.0374 -0.0679 891 HOH A O +6496 O O . HOH Q . ? 0.6014 0.5162 0.8951 0.1106 0.3370 0.3034 892 HOH A O +6497 O O . HOH Q . ? 0.4234 0.7366 0.4660 -0.0525 0.1742 -0.0240 893 HOH A O +6498 O O . HOH Q . ? 0.7370 0.7096 0.6152 0.1680 -0.1245 0.1631 894 HOH A O +6499 O O . HOH Q . ? 0.4913 0.5341 0.4451 -0.0286 -0.0204 0.1609 895 HOH A O +6500 O O . HOH Q . ? 0.4632 0.8859 0.3690 0.2796 0.0743 0.1762 896 HOH A O +6501 O O . HOH Q . ? 0.3132 0.6469 0.2358 0.0474 -0.0389 -0.0404 897 HOH A O +6502 O O . HOH Q . ? 0.5012 0.8351 0.7870 -0.0751 0.1728 0.1825 898 HOH A O +6503 O O . HOH Q . ? 0.8030 0.5759 0.8082 0.3033 0.0424 -0.1831 899 HOH A O +6504 O O . HOH Q . ? 1.0139 0.5698 0.9807 0.0321 0.2829 0.3535 900 HOH A O +6505 O O . HOH Q . ? 0.7541 0.7090 0.5969 -0.0529 0.2721 -0.0842 901 HOH A O +6506 O O . HOH Q . ? 0.3052 0.5448 0.3990 -0.1184 0.0100 0.0701 902 HOH A O +6507 O O . HOH Q . ? 0.5001 0.5240 0.3732 -0.1086 0.1341 -0.0316 903 HOH A O +6508 O O . HOH Q . ? 0.3986 0.7040 0.7672 0.0300 0.0639 -0.2474 904 HOH A O +6509 O O . HOH Q . ? 0.6381 0.4377 0.9544 -0.1367 -0.0353 0.0790 905 HOH A O +6510 O O . HOH Q . ? 0.3049 0.5310 0.3983 -0.0681 0.0433 0.0479 906 HOH A O +6511 O O . HOH Q . ? 0.6279 0.7086 0.6827 0.1992 -0.0389 0.1706 907 HOH A O +6512 O O . HOH Q . ? 0.4631 0.5288 0.7064 0.0432 0.1710 0.1269 908 HOH A O +6513 O O A HOH Q . ? 0.3508 0.5614 0.3066 -0.0970 0.0006 0.1279 909 HOH A O +6514 O O . HOH Q . ? 0.7772 0.5162 0.6832 0.0508 0.0416 -0.1423 910 HOH A O +6515 O O . HOH Q . ? 0.6510 0.6294 0.7147 -0.1090 -0.0977 -0.0188 911 HOH A O +6516 O O . HOH Q . ? 0.6849 0.7050 0.7026 0.0641 -0.0676 -0.1199 912 HOH A O +6517 O O . HOH Q . ? 0.6721 0.4298 0.6173 -0.2101 0.0112 -0.1224 913 HOH A O +6518 O O . HOH Q . ? 1.2277 0.9269 0.8128 -0.1113 0.0997 -0.2761 914 HOH A O +6519 O O . HOH Q . ? 0.4738 0.7031 0.4103 -0.0812 0.0177 0.2403 915 HOH A O +6520 O O . HOH Q . ? 0.4380 0.7520 0.3128 -0.0605 -0.0188 -0.0552 916 HOH A O +6521 O O . HOH Q . ? 0.7689 0.4008 0.9329 -0.2823 -0.0653 -0.0034 917 HOH A O +6522 O O . HOH Q . ? 0.5278 0.9467 0.6618 0.0148 0.0773 0.1133 918 HOH A O +6523 O O . HOH Q . ? 0.9533 0.3491 0.7543 0.1551 0.1660 0.0968 919 HOH A O +6524 O O . HOH Q . ? 0.3661 0.9881 0.8072 0.1159 0.0101 0.2344 920 HOH A O +6525 O O . HOH Q . ? 0.5658 0.6801 0.5704 -0.0847 -0.1282 0.1078 921 HOH A O +6526 O O . HOH Q . ? 0.6999 0.7616 0.7043 0.1235 -0.1105 0.0228 922 HOH A O +6527 O O . HOH Q . ? 0.6153 0.6586 0.6858 0.0008 -0.1447 0.0565 923 HOH A O +6528 O O . HOH Q . ? 0.8562 0.5566 0.6453 0.2489 0.1043 0.2470 924 HOH A O +6529 O O . HOH Q . ? 0.5277 0.6679 0.4661 0.0376 0.0407 -0.2229 925 HOH A O +6530 O O . HOH Q . ? 0.4780 0.5650 0.6439 0.1144 0.2330 -0.0252 926 HOH A O +6531 O O . HOH Q . ? 1.0105 0.9226 0.5636 -0.0352 0.0546 -0.2415 927 HOH A O +6532 O O . HOH Q . ? 0.8020 0.7619 0.5731 0.1129 -0.1436 0.0123 928 HOH A O +6533 O O . HOH Q . ? 0.5723 0.7424 0.7423 0.0647 -0.0432 0.0252 929 HOH A O +6534 O O . HOH Q . ? 0.6745 0.8399 0.4507 -0.1936 0.1936 -0.0089 930 HOH A O +6535 O O . HOH Q . ? 0.8542 0.6250 0.8444 0.1701 -0.1377 0.0855 931 HOH A O +6536 O O . HOH Q . ? 0.7686 0.5432 0.7786 -0.2337 -0.1602 0.1113 932 HOH A O +6537 O O . HOH Q . ? 0.4545 1.0022 0.7148 -0.0357 0.1193 0.3417 933 HOH A O # diff --git a/tests/test_data/to_rotlib.sdf b/tests/test_data/to_rotlib.sdf index 556cfbb..c18fd08 100644 --- a/tests/test_data/to_rotlib.sdf +++ b/tests/test_data/to_rotlib.sdf @@ -1,24 +1,24 @@ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -1.9813 -3.9298 16.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2500 -4.3994 15.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.7781 -5.5467 16.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.0110 -6.3299 17.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.2673 -3.2553 15.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.1010 -5.6997 16.7877 O 0 0 0 0 0 0 0 0 0 0 0 0 - -3.6146 -2.0408 16.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.5329 -6.6634 17.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.2736 -4.6467 16.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.1075 -3.6167 17.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.0851 -4.7307 14.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.0591 -3.4793 16.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.6967 -3.1441 14.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.2000 -1.2715 16.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.1466 -6.3725 18.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.1544 -7.6509 17.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.6220 -6.6883 17.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9813 -3.9298 16.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2500 -4.3994 15.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7781 -5.5467 16.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0110 -6.3299 17.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2673 -3.2553 15.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1010 -5.6997 16.7877 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6146 -2.0408 16.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5329 -6.6634 17.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2736 -4.6467 16.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1075 -3.6167 17.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0851 -4.7307 14.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0591 -3.4793 16.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6967 -3.1441 14.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2000 -1.2715 16.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1466 -6.3725 18.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1544 -7.6509 17.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.6220 -6.6883 17.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 @@ -38,26 +38,26 @@ N1 M END $$$$ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -1.9448 -4.7276 16.0765 N 0 0 0 0 0 0 0 0 0 0 0 0 - -3.0945 -4.1127 16.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.2658 -5.0592 16.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.2585 -4.7671 16.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 - -3.4679 -2.8097 16.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.2070 -6.2273 17.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.8683 -2.8076 15.7568 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.4713 -6.8487 17.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6379 -5.5550 16.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.1609 -4.9359 15.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.8339 -3.8983 17.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2261 -1.9630 16.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.9070 -2.7317 15.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.1762 -2.0103 15.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.0367 -6.1773 18.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.0433 -7.0505 16.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.2808 -7.7839 18.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9448 -4.7276 16.0765 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0945 -4.1127 16.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2658 -5.0592 16.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2585 -4.7671 16.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4679 -2.8097 16.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2070 -6.2273 17.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8683 -2.8076 15.7568 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.4713 -6.8487 17.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6379 -5.5550 16.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1609 -4.9359 15.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8339 -3.8983 17.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2261 -1.9630 16.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9070 -2.7317 15.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1762 -2.0103 15.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0367 -6.1773 18.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0433 -7.0505 16.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2808 -7.7839 18.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 @@ -77,26 +77,26 @@ N1 M END $$$$ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -2.0461 -3.5621 16.1265 N 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2318 -4.3845 15.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.4268 -5.3762 16.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.5433 -6.1509 17.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.4647 -3.4826 15.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.5821 -5.3998 17.6501 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.3910 -2.4608 16.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.3002 -6.6622 17.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.2095 -4.1258 16.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.1499 -3.0571 16.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.0933 -4.9178 14.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.3641 -4.0785 15.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.4984 -3.0250 14.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.1410 -1.8503 16.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.6718 -7.4232 18.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.5532 -6.9665 16.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.2137 -6.5427 18.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0461 -3.5621 16.1265 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2318 -4.3845 15.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4268 -5.3762 16.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5433 -6.1509 17.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4647 -3.4826 15.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5821 -5.3998 17.6501 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3910 -2.4608 16.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3002 -6.6622 17.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2095 -4.1258 16.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1499 -3.0571 16.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0933 -4.9178 14.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3641 -4.0785 15.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4984 -3.0250 14.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1410 -1.8503 16.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6718 -7.4232 18.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5532 -6.9665 16.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.2137 -6.5427 18.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 @@ -116,26 +116,26 @@ N1 M END $$$$ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -2.3887 -4.8428 16.7649 N 0 0 0 0 0 0 0 0 0 0 0 0 - -3.7310 -4.2493 16.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.6878 -5.0758 16.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.5412 -5.1618 14.8173 O 0 0 0 0 0 0 0 0 0 0 0 0 - -3.6858 -2.8229 16.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.7032 -5.7173 16.6126 O 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7453 -2.7592 15.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.3590 -6.6737 17.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.3779 -5.7604 17.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.0554 -4.8761 15.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0658 -4.2254 17.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.6743 -2.5440 15.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.3827 -2.1361 17.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.6637 -1.8824 14.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.7274 -7.4554 17.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.8221 -6.1640 18.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.2698 -7.1190 18.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3887 -4.8428 16.7649 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7310 -4.2493 16.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6878 -5.0758 16.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5412 -5.1618 14.8173 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6858 -2.8229 16.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.7032 -5.7173 16.6126 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7453 -2.7592 15.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3590 -6.6737 17.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3779 -5.7604 17.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0554 -4.8761 15.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0658 -4.2254 17.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6743 -2.5440 15.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3827 -2.1361 17.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6637 -1.8824 14.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7274 -7.4554 17.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8221 -6.1640 18.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.2698 -7.1190 18.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 @@ -155,26 +155,26 @@ N1 M END $$$$ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -2.0463 -4.4125 16.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 - -3.4809 -4.2871 16.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.2144 -5.4750 16.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.7300 -5.4037 15.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0199 -3.0038 16.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.2951 -6.6131 16.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 - -2.9262 -2.1759 15.7065 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.4263 -6.7513 17.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6527 -5.2173 16.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 - -1.8811 -4.4515 15.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.6306 -4.2469 17.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.6229 -3.2576 15.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.6344 -2.4691 16.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.1940 -1.3432 15.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.4023 -5.9499 18.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.3532 -6.6936 17.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.3706 -7.7142 18.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0463 -4.4125 16.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4809 -4.2871 16.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2144 -5.4750 16.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7300 -5.4037 15.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0199 -3.0038 16.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2951 -6.6131 16.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9262 -2.1759 15.7065 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.4263 -6.7513 17.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6527 -5.2173 16.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8811 -4.4515 15.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6306 -4.2469 17.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6229 -3.2576 15.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.6344 -2.4691 16.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1940 -1.3432 15.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.4023 -5.9499 18.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.3532 -6.6936 17.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3706 -7.7142 18.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 @@ -194,26 +194,26 @@ N1 M END $$$$ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -3.3809 -6.5883 16.5615 N 0 0 0 0 0 0 0 0 0 0 0 0 - -3.7802 -5.4804 17.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2083 -4.1902 16.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.0556 -3.9044 17.1362 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.3078 -5.3841 17.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.9790 -3.3575 16.1964 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.8732 -6.6025 16.9881 O 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2982 -2.3731 15.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.3801 -6.7142 16.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.7179 -6.4446 15.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.4042 -5.6611 18.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.6339 -4.5547 16.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.6366 -5.2154 18.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.8402 -6.6130 16.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.6647 -2.8829 14.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.6843 -1.7329 16.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0359 -1.7663 14.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3809 -6.5883 16.5615 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7802 -5.4804 17.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2083 -4.1902 16.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0556 -3.9044 17.1362 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3078 -5.3841 17.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9790 -3.3575 16.1964 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.8732 -6.6025 16.9881 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2982 -2.3731 15.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3801 -6.7142 16.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7179 -6.4446 15.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4042 -5.6611 18.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.6339 -4.5547 16.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.6366 -5.2154 18.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.8402 -6.6130 16.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6647 -2.8829 14.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6843 -1.7329 16.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0359 -1.7663 14.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 @@ -233,26 +233,26 @@ N1 M END $$$$ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -2.0017 -4.6760 16.7769 N 0 0 0 0 0 0 0 0 0 0 0 0 - -3.1629 -4.3565 15.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.2596 -5.3570 16.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.4818 -6.2297 15.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 - -3.6659 -2.9507 16.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.9905 -5.2792 17.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 - -3.9858 -2.2561 15.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.5979 -6.5092 17.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6112 -5.5723 16.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.2448 -4.6465 17.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.8727 -4.3952 14.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.8890 -2.4070 16.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.5564 -3.0246 16.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.3126 -1.3565 15.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.8183 -7.2417 18.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.2712 -6.9014 17.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.1589 -6.3062 18.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0017 -4.6760 16.7769 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1629 -4.3565 15.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2596 -5.3570 16.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4818 -6.2297 15.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6659 -2.9507 16.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9905 -5.2792 17.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9858 -2.2561 15.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5979 -6.5092 17.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6112 -5.5723 16.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2448 -4.6465 17.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8727 -4.3952 14.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8890 -2.4070 16.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5564 -3.0246 16.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3126 -1.3565 15.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8183 -7.2417 18.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.2712 -6.9014 17.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.1589 -6.3062 18.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 @@ -272,26 +272,26 @@ N1 M END $$$$ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -1.8762 -3.8079 16.3356 N 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2614 -4.0948 16.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.5110 -5.5780 16.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.3029 -6.1690 15.6162 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.2227 -3.3624 15.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.9642 -6.2438 17.7231 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.8361 -2.2766 16.4908 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.3503 -6.6783 17.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.2219 -4.2270 16.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6999 -4.1133 15.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.4241 -3.7550 17.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.6696 -2.9778 14.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.9914 -4.0544 15.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.4598 -1.7672 15.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.0007 -5.8098 17.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.5024 -7.3478 16.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.5863 -7.2025 18.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8762 -3.8079 16.3356 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2614 -4.0948 16.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5110 -5.5780 16.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3029 -6.1690 15.6162 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2227 -3.3624 15.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9642 -6.2438 17.7231 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8361 -2.2766 16.4908 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.3503 -6.6783 17.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2219 -4.2270 16.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6999 -4.1133 15.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4241 -3.7550 17.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6696 -2.9778 14.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9914 -4.0544 15.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.4598 -1.7672 15.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0007 -5.8098 17.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5024 -7.3478 16.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5863 -7.2025 18.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 @@ -311,26 +311,26 @@ N1 M END $$$$ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -2.0635 -4.9345 16.3695 N 0 0 0 0 0 0 0 0 0 0 0 0 - -3.3806 -4.4233 16.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.4573 -5.1571 16.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.9982 -4.6314 15.0725 O 0 0 0 0 0 0 0 0 0 0 0 0 - -3.4648 -2.9276 16.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.8159 -6.3950 16.3909 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.2692 -2.7314 15.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.4557 -6.5327 17.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.9586 -5.9045 16.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 - -1.9115 -4.8036 15.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.5181 -4.5769 17.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.9130 -2.4034 17.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4629 -2.5378 16.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.3658 -1.8048 15.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.7802 -6.1763 18.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.3724 -5.9442 17.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.6932 -7.5813 17.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0635 -4.9345 16.3695 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3806 -4.4233 16.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4573 -5.1571 16.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9982 -4.6314 15.0725 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4648 -2.9276 16.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8159 -6.3950 16.3909 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2692 -2.7314 15.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.4557 -6.5327 17.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9586 -5.9045 16.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9115 -4.8036 15.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5181 -4.5769 17.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9130 -2.4034 17.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4629 -2.5378 16.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3658 -1.8048 15.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7802 -6.1763 18.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.3724 -5.9442 17.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.6932 -7.5813 17.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 @@ -350,26 +350,26 @@ N1 M END $$$$ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -5.1024 -3.3891 16.2455 N 0 0 0 0 0 0 0 0 0 0 0 0 - -3.8460 -3.6107 16.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.8193 -5.0170 17.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7626 -5.5569 17.7419 O 0 0 0 0 0 0 0 0 0 0 0 0 - -2.6631 -3.4064 16.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.9692 -5.6709 17.7405 O 0 0 0 0 0 0 0 0 0 0 0 0 - -3.1486 -3.2198 14.6929 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.0246 -7.0664 17.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.8956 -3.4542 16.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.1920 -4.0331 15.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.7749 -2.9029 17.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.0165 -4.2835 16.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.0981 -2.5266 16.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4522 -3.0835 14.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.2585 -7.6279 17.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.8504 -7.1432 16.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 - -6.0067 -7.4738 17.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1024 -3.3891 16.2455 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8460 -3.6107 16.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.8193 -5.0170 17.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7626 -5.5569 17.7419 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6631 -3.4064 16.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9692 -5.6709 17.7405 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1486 -3.2198 14.6929 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0246 -7.0664 17.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.8956 -3.4542 16.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1920 -4.0331 15.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7749 -2.9029 17.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0165 -4.2835 16.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0981 -2.5266 16.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4522 -3.0835 14.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2585 -7.6279 17.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8504 -7.1432 16.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0067 -7.4738 17.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 @@ -389,26 +389,26 @@ N1 M END $$$$ N1 - chiLife 1.2.0dev1 + chiLife 1.2.2 17 16 0 0 0 0 0 0 0 0999 V2000 - -5.5608 -4.3786 16.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 - -4.5991 -5.3489 16.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2354 -4.7138 16.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.3622 -5.0600 16.9251 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.5391 -6.5725 17.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.9898 -3.7631 15.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.0079 -6.2142 18.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 - -2.5854 -2.4588 15.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.6670 -3.5909 16.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.2900 -4.0769 17.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.9153 -5.6576 15.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.5098 -6.9248 17.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 - -5.1681 -7.3636 16.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 - -4.9985 -6.9429 19.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6636 -2.5584 16.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 - -3.3695 -2.0548 16.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4193 -1.7860 14.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5608 -4.3786 16.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5991 -5.3489 16.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2354 -4.7138 16.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.3622 -5.0600 16.9251 O 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5391 -6.5725 17.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9898 -3.7631 15.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0079 -6.2142 18.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5854 -2.4588 15.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.6670 -3.5909 16.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2900 -4.0769 17.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9153 -5.6576 15.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5098 -6.9248 17.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.1681 -7.3636 16.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.9985 -6.9429 19.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6636 -2.5584 16.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3695 -2.0548 16.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4193 -1.7860 14.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 9 1 0 1 10 1 0 diff --git a/tests/test_data/write_cif.cif b/tests/test_data/write_cif.cif index 0f8125c..e60557e 100644 --- a/tests/test_data/write_cif.cif +++ b/tests/test_data/write_cif.cif @@ -1,13680 +1,13680 @@ -data_N -# -_entry.id N -# -loop_ -_atom_type.symbol -C -H -N -O -S -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -chiLife 1 -'Maxx Tessmer' 2 -'Stefan Stoll' 3 -# -_citation.book_publisher ? -_citation.country US -_citation.id primary -_citation.journal_full 'PLoS Computational Biology' -_citation.journal_id_ISSN 1553-734X -_citation.journal_volume 19 -_citation.journal_issue 3 -_citation.journal_page_first e1010834 -_citation.journal_page_last e1010834 -_citation.title -'chiLife: An open-source Python package for in silico spin labeling and integrative protein modeling' -_citation.year 2023 -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -primary 'Maxx Tessmer' 1 -primary 'Stefan Stoll' 2 -# -loop_ -_entity.id -_entity.pdbx_description -_entity.type -1 . polymer -# -loop_ -_entity_poly.entity_id -_entity_poly.pdbx_strand_id -_entity_poly.pdbx_type -1 A1 polypeptide -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.hetero -_entity_poly_seq.mon_id -_entity_poly_seq.num -1 n GLY 1 -1 n PRO 2 -1 n LEU 3 -1 n GLY 4 -1 n SER 5 -1 n MET 6 -1 n GLN 7 -1 n ILE 8 -1 n PHE 9 -1 n VAL 10 -1 n LYS 11 -1 n THR 12 -1 n LEU 13 -1 n THR 14 -1 n GLY 15 -1 n LYS 16 -1 n THR 17 -1 n ILE 18 -1 n THR 19 -1 n ILE 20 -1 n ASP 21 -1 n VAL 22 -1 n ASP 23 -1 n HIS 24 -1 n ALA 25 -1 n ASP 26 -1 n THR 27 -1 n VAL 28 -1 n GLY 29 -1 n ALA 30 -1 n VAL 31 -1 n LYS 32 -1 n ALA 33 -1 n LYS 34 -1 n ILE 35 -1 n TYR 36 -1 n ASP 37 -1 n LYS 38 -1 n GLU 39 -1 n GLY 40 -1 n ILE 41 -1 n PRO 42 -1 n PRO 43 -1 n ASP 44 -1 n GLN 45 -1 n GLN 46 -1 n ARG 47 -1 n LEU 48 -1 n ILE 49 -1 n PHE 50 -1 n GLY 51 -1 n GLY 52 -1 n LYS 53 -1 n GLN 54 -1 n LEU 55 -1 n GLU 56 -1 n ASP 57 -1 n SER 58 -1 n ASN 59 -1 n ALA 60 -1 n MET 61 -1 n SER 62 -1 n ASP 63 -1 n TYR 64 -1 n ASN 65 -1 n VAL 66 -1 n GLN 67 -1 n LYS 68 -1 n GLU 69 -1 n SER 70 -1 n THR 71 -1 n LEU 72 -1 n HIS 73 -1 n LEU 74 -1 n VAL 75 -1 n LEU 76 -1 n ARG 77 -1 n LEU 78 -1 n ARG 79 -1 n GLY 80 -1 n GLY 81 -1 n VAL 82 -# -_ma_data.content_type model_coordinates -_ma_data.name Model -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.hetero -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.seq_id -A1 1 1 n GLY . 1 A1 1 -A1 2 1 n PRO . 2 A1 2 -A1 3 1 n LEU . 3 A1 3 -A1 4 1 n GLY . 4 A1 4 -A1 5 1 n SER . 5 A1 5 -A1 6 1 n MET . 6 A1 6 -A1 7 1 n GLN . 7 A1 7 -A1 8 1 n ILE . 8 A1 8 -A1 9 1 n PHE . 9 A1 9 -A1 10 1 n VAL . 10 A1 10 -A1 11 1 n LYS . 11 A1 11 -A1 12 1 n THR . 12 A1 12 -A1 13 1 n LEU . 13 A1 13 -A1 14 1 n THR . 14 A1 14 -A1 15 1 n GLY . 15 A1 15 -A1 16 1 n LYS . 16 A1 16 -A1 17 1 n THR . 17 A1 17 -A1 18 1 n ILE . 18 A1 18 -A1 19 1 n THR . 19 A1 19 -A1 20 1 n ILE . 20 A1 20 -A1 21 1 n ASP . 21 A1 21 -A1 22 1 n VAL . 22 A1 22 -A1 23 1 n ASP . 23 A1 23 -A1 24 1 n HIS . 24 A1 24 -A1 25 1 n ALA . 25 A1 25 -A1 26 1 n ASP . 26 A1 26 -A1 27 1 n THR . 27 A1 27 -A1 28 1 n VAL . 28 A1 28 -A1 29 1 n GLY . 29 A1 29 -A1 30 1 n ALA . 30 A1 30 -A1 31 1 n VAL . 31 A1 31 -A1 32 1 n LYS . 32 A1 32 -A1 33 1 n ALA . 33 A1 33 -A1 34 1 n LYS . 34 A1 34 -A1 35 1 n ILE . 35 A1 35 -A1 36 1 n TYR . 36 A1 36 -A1 37 1 n ASP . 37 A1 37 -A1 38 1 n LYS . 38 A1 38 -A1 39 1 n GLU . 39 A1 39 -A1 40 1 n GLY . 40 A1 40 -A1 41 1 n ILE . 41 A1 41 -A1 42 1 n PRO . 42 A1 42 -A1 43 1 n PRO . 43 A1 43 -A1 44 1 n ASP . 44 A1 44 -A1 45 1 n GLN . 45 A1 45 -A1 46 1 n GLN . 46 A1 46 -A1 47 1 n ARG . 47 A1 47 -A1 48 1 n LEU . 48 A1 48 -A1 49 1 n ILE . 49 A1 49 -A1 50 1 n PHE . 50 A1 50 -A1 51 1 n GLY . 51 A1 51 -A1 52 1 n GLY . 52 A1 52 -A1 53 1 n LYS . 53 A1 53 -A1 54 1 n GLN . 54 A1 54 -A1 55 1 n LEU . 55 A1 55 -A1 56 1 n GLU . 56 A1 56 -A1 57 1 n ASP . 57 A1 57 -A1 58 1 n SER . 58 A1 58 -A1 59 1 n ASN . 59 A1 59 -A1 60 1 n ALA . 60 A1 60 -A1 61 1 n MET . 61 A1 61 -A1 62 1 n SER . 62 A1 62 -A1 63 1 n ASP . 63 A1 63 -A1 64 1 n TYR . 64 A1 64 -A1 65 1 n ASN . 65 A1 65 -A1 66 1 n VAL . 66 A1 66 -A1 67 1 n GLN . 67 A1 67 -A1 68 1 n LYS . 68 A1 68 -A1 69 1 n GLU . 69 A1 69 -A1 70 1 n SER . 70 A1 70 -A1 71 1 n THR . 71 A1 71 -A1 72 1 n LEU . 72 A1 72 -A1 73 1 n HIS . 73 A1 73 -A1 74 1 n LEU . 74 A1 74 -A1 75 1 n VAL . 75 A1 75 -A1 76 1 n LEU . 76 A1 76 -A1 77 1 n ARG . 77 A1 77 -A1 78 1 n LEU . 78 A1 78 -A1 79 1 n ARG . 79 A1 79 -A1 80 1 n GLY . 80 A1 80 -A1 81 1 n GLY . 81 A1 81 -A1 82 1 n VAL . 82 A1 82 -# -_software.classification 'model building' -_software.date 2023-03-31 -_software.description 'Protein modeling' -_software.name chiLife -_software.pdbx_ordinal 1 -_software.type 'python package' -_software.version 1.2.2 -# -loop_ -_struct_asym.entity_id -_struct_asym.id -1 A1 -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_asym_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . GLY A1 1 1 ? 1.33 0.0 0.0 1.0 13.0 ? 1 A 1 -ATOM 2 C CA . GLY A1 1 1 ? 2.071 0.001 -1.247 1.0 45.03 ? 1 A 1 -ATOM 3 C C . GLY A1 1 1 ? 1.548 1.028 -2.232 1.0 65.21 ? 1 A 1 -ATOM 4 O O . GLY A1 1 1 ? 0.779 1.922 -1.88 1.0 33.34 ? 1 A 1 -ATOM 5 H H1 . GLY A1 1 1 ? 1.811 -0.001 0.854 1.0 52.4 ? 1 A 1 -ATOM 6 H HA2 . GLY A1 1 1 ? 3.109 0.215 -1.037 1.0 14.15 ? 1 A 1 -ATOM 7 H HA3 . GLY A1 1 1 ? 2.001 -0.979 -1.696 1.0 34.23 ? 1 A 1 -ATOM 8 N N . PRO A1 1 2 ? 1.972 0.907 -3.499 1.0 55.32 ? 2 A 1 -ATOM 9 C CA . PRO A1 1 2 ? 1.554 1.825 -4.564 1.0 21.43 ? 2 A 1 -ATOM 10 C C . PRO A1 1 2 ? 0.085 1.652 -4.934 1.0 41.45 ? 2 A 1 -ATOM 11 O O . PRO A1 1 2 ? -0.585 0.739 -4.451 1.0 62.42 ? 2 A 1 -ATOM 12 C CB . PRO A1 1 2 ? 2.452 1.434 -5.74 1.0 51.45 ? 2 A 1 -ATOM 13 C CG . PRO A1 1 2 ? 2.814 0.012 -5.485 1.0 43.11 ? 2 A 1 -ATOM 14 C CD . PRO A1 1 2 ? 2.889 -0.134 -3.99 1.0 64.14 ? 2 A 1 -ATOM 15 H HA . PRO A1 1 2 ? 1.738 2.855 -4.295 1.0 31.54 ? 2 A 1 -ATOM 16 H HB2 . PRO A1 1 2 ? 1.904 1.543 -6.666 1.0 42.4 ? 2 A 1 -ATOM 17 H HB3 . PRO A1 1 2 ? 3.326 2.068 -5.756 1.0 62.54 ? 2 A 1 -ATOM 18 H HG2 . PRO A1 1 2 ? 2.053 -0.639 -5.888 1.0 3.22 ? 2 A 1 -ATOM 19 H HG3 . PRO A1 1 2 ? 3.773 -0.208 -5.931 1.0 51.14 ? 2 A 1 -ATOM 20 H HD2 . PRO A1 1 2 ? 2.555 -1.116 -3.69 1.0 11.0 ? 2 A 1 -ATOM 21 H HD3 . PRO A1 1 2 ? 3.896 0.046 -3.644 1.0 24.12 ? 2 A 1 -ATOM 22 N N . LEU A1 1 3 ? -0.41 2.535 -5.795 1.0 34.12 ? 3 A 1 -ATOM 23 C CA . LEU A1 1 3 ? -1.801 2.48 -6.231 1.0 54.03 ? 3 A 1 -ATOM 24 C C . LEU A1 1 3 ? -2.068 3.503 -7.331 1.0 63.21 ? 3 A 1 -ATOM 25 O O . LEU A1 1 3 ? -1.295 4.441 -7.521 1.0 11.24 ? 3 A 1 -ATOM 26 C CB . LEU A1 1 3 ? -2.738 2.731 -5.048 1.0 60.12 ? 3 A 1 -ATOM 27 C CG . LEU A1 1 3 ? -3.691 1.589 -4.692 1.0 64.13 ? 3 A 1 -ATOM 28 C CD1 . LEU A1 1 3 ? -3.952 1.559 -3.194 1.0 62.25 ? 3 A 1 -ATOM 29 C CD2 . LEU A1 1 3 ? -4.997 1.725 -5.461 1.0 0.12 ? 3 A 1 -ATOM 30 H H . LEU A1 1 3 ? 0.172 3.24 -6.145 1.0 52.35 ? 3 A 1 -ATOM 31 H HA . LEU A1 1 3 ? -1.987 1.491 -6.623 1.0 43.13 ? 3 A 1 -ATOM 32 H HB2 . LEU A1 1 3 ? -2.128 2.935 -4.181 1.0 74.24 ? 3 A 1 -ATOM 33 H HB3 . LEU A1 1 3 ? -3.335 3.602 -5.279 1.0 72.41 ? 3 A 1 -ATOM 34 H HG . LEU A1 1 3 ? -3.235 0.648 -4.97 1.0 43.5 ? 3 A 1 -ATOM 35 H HD11 . LEU A1 1 3 ? -3.269 2.23 -2.696 1.0 50.45 ? 3 A 1 -ATOM 36 H HD12 . LEU A1 1 3 ? -3.805 0.555 -2.824 1.0 4.34 ? 3 A 1 -ATOM 37 H HD13 . LEU A1 1 3 ? -4.968 1.868 -3.0 1.0 54.42 ? 3 A 1 -ATOM 38 H HD21 . LEU A1 1 3 ? -4.854 1.389 -6.477 1.0 23.33 ? 3 A 1 -ATOM 39 H HD22 . LEU A1 1 3 ? -5.306 2.76 -5.464 1.0 1.01 ? 3 A 1 -ATOM 40 H HD23 . LEU A1 1 3 ? -5.758 1.124 -4.985 1.0 75.24 ? 3 A 1 -ATOM 41 N N . GLY A1 1 4 ? -3.169 3.315 -8.053 1.0 4.21 ? 4 A 1 -ATOM 42 C CA . GLY A1 1 4 ? -3.519 4.23 -9.123 1.0 43.34 ? 4 A 1 -ATOM 43 C C . GLY A1 1 4 ? -4.943 4.041 -9.606 1.0 32.24 ? 4 A 1 -ATOM 44 O O . GLY A1 1 4 ? -5.239 3.091 -10.33 1.0 73.31 ? 4 A 1 -ATOM 45 H H . GLY A1 1 4 ? -3.748 2.549 -7.857 1.0 2.13 ? 4 A 1 -ATOM 46 H HA2 . GLY A1 1 4 ? -3.401 5.243 -8.769 1.0 53.5 ? 4 A 1 -ATOM 47 H HA3 . GLY A1 1 4 ? -2.846 4.07 -9.953 1.0 61.41 ? 4 A 1 -ATOM 48 N N . SER A1 1 5 ? -5.828 4.946 -9.202 1.0 14.33 ? 5 A 1 -ATOM 49 C CA . SER A1 1 5 ? -7.231 4.871 -9.593 1.0 12.42 ? 5 A 1 -ATOM 50 C C . SER A1 1 5 ? -7.919 6.221 -9.411 1.0 43.22 ? 5 A 1 -ATOM 51 O O . SER A1 1 5 ? -7.815 6.846 -8.356 1.0 33.52 ? 5 A 1 -ATOM 52 C CB . SER A1 1 5 ? -7.955 3.803 -8.771 1.0 72.02 ? 5 A 1 -ATOM 53 O OG . SER A1 1 5 ? -7.409 2.518 -9.012 1.0 21.35 ? 5 A 1 -ATOM 54 H H . SER A1 1 5 ? -5.531 5.681 -8.625 1.0 31.12 ? 5 A 1 -ATOM 55 H HA . SER A1 1 5 ? -7.27 4.598 -10.637 1.0 12.32 ? 5 A 1 -ATOM 56 H HB2 . SER A1 1 5 ? -7.857 4.032 -7.721 1.0 41.01 ? 5 A 1 -ATOM 57 H HB3 . SER A1 1 5 ? -9.001 3.793 -9.041 1.0 74.13 ? 5 A 1 -ATOM 58 H HG . SER A1 1 5 ? -7.616 1.939 -8.275 1.0 33.45 ? 5 A 1 -ATOM 59 N N . MET A1 1 6 ? -8.62 6.665 -10.449 1.0 14.01 ? 6 A 1 -ATOM 60 C CA . MET A1 1 6 ? -9.326 7.94 -10.404 1.0 54.33 ? 6 A 1 -ATOM 61 C C . MET A1 1 6 ? -10.558 7.912 -11.304 1.0 31.44 ? 6 A 1 -ATOM 62 O O . MET A1 1 6 ? -10.47 7.561 -12.48 1.0 1.11 ? 6 A 1 -ATOM 63 C CB . MET A1 1 6 ? -8.396 9.078 -10.83 1.0 70.21 ? 6 A 1 -ATOM 64 C CG . MET A1 1 6 ? -7.818 8.9 -12.225 1.0 25.05 ? 6 A 1 -ATOM 65 S SD . MET A1 1 6 ? -6.019 8.776 -12.22 1.0 3.44 ? 6 A 1 -ATOM 66 C CE . MET A1 1 6 ? -5.791 7.175 -11.45 1.0 13.21 ? 6 A 1 -ATOM 67 H H . MET A1 1 6 ? -8.666 6.122 -11.264 1.0 2.32 ? 6 A 1 -ATOM 68 H HA . MET A1 1 6 ? -9.643 8.108 -9.386 1.0 5.22 ? 6 A 1 -ATOM 69 H HB2 . MET A1 1 6 ? -8.948 10.006 -10.808 1.0 62.43 ? 6 A 1 -ATOM 70 H HB3 . MET A1 1 6 ? -7.577 9.139 -10.129 1.0 63.34 ? 6 A 1 -ATOM 71 H HG2 . MET A1 1 6 ? -8.224 7.998 -12.657 1.0 33.13 ? 6 A 1 -ATOM 72 H HG3 . MET A1 1 6 ? -8.105 9.747 -12.829 1.0 12.41 ? 6 A 1 -ATOM 73 H HE1 . MET A1 1 6 ? -5.835 7.283 -10.376 1.0 12.23 ? 6 A 1 -ATOM 74 H HE2 . MET A1 1 6 ? -6.572 6.504 -11.776 1.0 52.54 ? 6 A 1 -ATOM 75 H HE3 . MET A1 1 6 ? -4.83 6.773 -11.733 1.0 2.41 ? 6 A 1 -ATOM 76 N N . GLN A1 1 7 ? -11.704 8.282 -10.742 1.0 13.12 ? 7 A 1 -ATOM 77 C CA . GLN A1 1 7 ? -12.953 8.297 -11.494 1.0 13.2 ? 7 A 1 -ATOM 78 C C . GLN A1 1 7 ? -13.209 9.674 -12.097 1.0 42.42 ? 7 A 1 -ATOM 79 O O . GLN A1 1 7 ? -12.659 10.676 -11.637 1.0 71.33 ? 7 A 1 -ATOM 80 C CB . GLN A1 1 7 ? -14.122 7.898 -10.591 1.0 42.01 ? 7 A 1 -ATOM 81 C CG . GLN A1 1 7 ? -13.784 6.78 -9.618 1.0 12.34 ? 7 A 1 -ATOM 82 C CD . GLN A1 1 7 ? -13.385 7.298 -8.25 1.0 44.31 ? 7 A 1 -ATOM 83 O OE1 . GLN A1 1 7 ? -13.361 8.507 -8.014 1.0 33.44 ? 7 A 1 -ATOM 84 N NE2 . GLN A1 1 7 ? -13.067 6.385 -7.34 1.0 73.32 ? 7 A 1 -ATOM 85 H H . GLN A1 1 7 ? -11.71 8.551 -9.8 1.0 71.21 ? 7 A 1 -ATOM 86 H HA . GLN A1 1 7 ? -12.867 7.578 -12.294 1.0 62.03 ? 7 A 1 -ATOM 87 H HB2 . GLN A1 1 7 ? -14.432 8.761 -10.022 1.0 13.25 ? 7 A 1 -ATOM 88 H HB3 . GLN A1 1 7 ? -14.944 7.57 -11.21 1.0 41.42 ? 7 A 1 -ATOM 89 H HG2 . GLN A1 1 7 ? -14.65 6.144 -9.505 1.0 43.33 ? 7 A 1 -ATOM 90 H HG3 . GLN A1 1 7 ? -12.965 6.204 -10.022 1.0 33.21 ? 7 A 1 -ATOM 91 H HE21 . GLN A1 1 7 ? -13.107 5.44 -7.6 1.0 52.01 ? 7 A 1 -ATOM 92 H HE22 . GLN A1 1 7 ? -12.804 6.691 -6.448 1.0 55.43 ? 7 A 1 -ATOM 93 N N . ILE A1 1 8 ? -14.045 9.717 -13.129 1.0 12.12 ? 8 A 1 -ATOM 94 C CA . ILE A1 1 8 ? -14.374 10.972 -13.794 1.0 64.2 ? 8 A 1 -ATOM 95 C C . ILE A1 1 8 ? -15.883 11.149 -13.919 1.0 0.33 ? 8 A 1 -ATOM 96 O O . ILE A1 1 8 ? -16.637 10.176 -13.9 1.0 11.35 ? 8 A 1 -ATOM 97 C CB . ILE A1 1 8 ? -13.742 11.048 -15.196 1.0 65.34 ? 8 A 1 -ATOM 98 C CG1 . ILE A1 1 8 ? -12.943 9.776 -15.489 1.0 72.33 ? 8 A 1 -ATOM 99 C CG2 . ILE A1 1 8 ? -12.851 12.276 -15.31 1.0 55.24 ? 8 A 1 -ATOM 100 C CD1 . ILE A1 1 8 ? -12.441 9.692 -16.914 1.0 11.02 ? 8 A 1 -ATOM 101 H H . ILE A1 1 8 ? -14.452 8.885 -13.449 1.0 43.45 ? 8 A 1 -ATOM 102 H HA . ILE A1 1 8 ? -13.975 11.779 -13.197 1.0 41.41 ? 8 A 1 -ATOM 103 H HB . ILE A1 1 8 ? -14.536 11.14 -15.921 1.0 13.24 ? 8 A 1 -ATOM 104 H HG12 . ILE A1 1 8 ? -12.088 9.736 -14.834 1.0 4.11 ? 8 A 1 -ATOM 105 H HG13 . ILE A1 1 8 ? -13.571 8.916 -15.307 1.0 33.41 ? 8 A 1 -ATOM 106 H HG21 . ILE A1 1 8 ? -13.465 13.153 -15.455 1.0 12.11 ? 8 A 1 -ATOM 107 H HG22 . ILE A1 1 8 ? -12.274 12.387 -14.405 1.0 14.43 ? 8 A 1 -ATOM 108 H HG23 . ILE A1 1 8 ? -12.184 12.161 -16.151 1.0 53.13 ? 8 A 1 -ATOM 109 H HD11 . ILE A1 1 8 ? -12.638 10.626 -17.42 1.0 4.51 ? 8 A 1 -ATOM 110 H HD12 . ILE A1 1 8 ? -11.378 9.503 -16.911 1.0 22.53 ? 8 A 1 -ATOM 111 H HD13 . ILE A1 1 8 ? -12.949 8.891 -17.429 1.0 32.23 ? 8 A 1 -ATOM 112 N N . PHE A1 1 9 ? -16.318 12.398 -14.048 1.0 44.42 ? 9 A 1 -ATOM 113 C CA . PHE A1 1 9 ? -17.738 12.704 -14.177 1.0 45.42 ? 9 A 1 -ATOM 114 C C . PHE A1 1 9 ? -18.066 13.177 -15.59 1.0 62.05 ? 9 A 1 -ATOM 115 O O . PHE A1 1 9 ? -17.464 14.125 -16.096 1.0 33.13 ? 9 A 1 -ATOM 116 C CB . PHE A1 1 9 ? -18.145 13.774 -13.162 1.0 42.3 ? 9 A 1 -ATOM 117 C CG . PHE A1 1 9 ? -19.027 13.253 -12.063 1.0 44.44 ? 9 A 1 -ATOM 118 C CD1 . PHE A1 1 9 ? -20.265 12.703 -12.353 1.0 24.21 ? 9 A 1 -ATOM 119 C CD2 . PHE A1 1 9 ? -18.618 13.315 -10.741 1.0 24.11 ? 9 A 1 -ATOM 120 C CE1 . PHE A1 1 9 ? -21.078 12.222 -11.344 1.0 54.33 ? 9 A 1 -ATOM 121 C CE2 . PHE A1 1 9 ? -19.427 12.836 -9.728 1.0 62.43 ? 9 A 1 -ATOM 122 C CZ . PHE A1 1 9 ? -20.659 12.29 -10.03 1.0 72.21 ? 9 A 1 -ATOM 123 H H . PHE A1 1 9 ? -15.667 13.132 -14.057 1.0 15.35 ? 9 A 1 -ATOM 124 H HA . PHE A1 1 9 ? -18.29 11.8 -13.975 1.0 72.15 ? 9 A 1 -ATOM 125 H HB2 . PHE A1 1 9 ? -17.256 14.185 -12.707 1.0 13.22 ? 9 A 1 -ATOM 126 H HB3 . PHE A1 1 9 ? -18.679 14.561 -13.674 1.0 20.44 ? 9 A 1 -ATOM 127 H HD1 . PHE A1 1 9 ? -20.594 12.65 -13.381 1.0 63.23 ? 9 A 1 -ATOM 128 H HD2 . PHE A1 1 9 ? -17.655 13.742 -10.503 1.0 43.5 ? 9 A 1 -ATOM 129 H HE1 . PHE A1 1 9 ? -22.041 11.796 -11.584 1.0 53.21 ? 9 A 1 -ATOM 130 H HE2 . PHE A1 1 9 ? -19.097 12.89 -8.701 1.0 61.25 ? 9 A 1 -ATOM 131 H HZ . PHE A1 1 9 ? -21.293 11.914 -9.241 1.0 11.33 ? 9 A 1 -ATOM 132 N N . VAL A1 1 10 ? -19.024 12.509 -16.224 1.0 35.51 ? 10 A 1 -ATOM 133 C CA . VAL A1 1 10 ? -19.434 12.859 -17.578 1.0 51.35 ? 10 A 1 -ATOM 134 C C . VAL A1 1 10 ? -20.874 13.36 -17.605 1.0 20.3 ? 10 A 1 -ATOM 135 O O . VAL A1 1 10 ? -21.771 12.734 -17.041 1.0 33.54 ? 10 A 1 -ATOM 136 C CB . VAL A1 1 10 ? -19.302 11.658 -18.534 1.0 1.24 ? 10 A 1 -ATOM 137 C CG1 . VAL A1 1 10 ? -18.919 12.125 -19.929 1.0 43.55 ? 10 A 1 -ATOM 138 C CG2 . VAL A1 1 10 ? -18.285 10.662 -17.998 1.0 70.41 ? 10 A 1 -ATOM 139 H H . VAL A1 1 10 ? -19.467 11.762 -15.769 1.0 13.11 ? 10 A 1 -ATOM 140 H HA . VAL A1 1 10 ? -18.783 13.646 -17.931 1.0 52.2 ? 10 A 1 -ATOM 141 H HB . VAL A1 1 10 ? -20.261 11.165 -18.594 1.0 21.21 ? 10 A 1 -ATOM 142 H HG11 . VAL A1 1 10 ? -17.843 12.2 -20.001 1.0 75.22 ? 10 A 1 -ATOM 143 H HG12 . VAL A1 1 10 ? -19.281 11.416 -20.659 1.0 54.41 ? 10 A 1 -ATOM 144 H HG13 . VAL A1 1 10 ? -19.359 13.094 -20.118 1.0 61.31 ? 10 A 1 -ATOM 145 H HG21 . VAL A1 1 10 ? -18.694 10.157 -17.136 1.0 13.24 ? 10 A 1 -ATOM 146 H HG22 . VAL A1 1 10 ? -18.055 9.937 -18.764 1.0 62.44 ? 10 A 1 -ATOM 147 H HG23 . VAL A1 1 10 ? -17.383 11.184 -17.715 1.0 2.35 ? 10 A 1 -ATOM 148 N N . LYS A1 1 11 ? -21.089 14.493 -18.265 1.0 23.3 ? 11 A 1 -ATOM 149 C CA . LYS A1 1 11 ? -22.42 15.078 -18.368 1.0 10.31 ? 11 A 1 -ATOM 150 C C . LYS A1 1 11 ? -22.966 14.943 -19.786 1.0 22.12 ? 11 A 1 -ATOM 151 O O . LYS A1 1 11 ? -22.436 15.536 -20.726 1.0 63.21 ? 11 A 1 -ATOM 152 C CB . LYS A1 1 11 ? -22.383 16.554 -17.963 1.0 34.41 ? 11 A 1 -ATOM 153 C CG . LYS A1 1 11 ? -23.659 17.308 -18.297 1.0 63.11 ? 11 A 1 -ATOM 154 C CD . LYS A1 1 11 ? -23.539 18.784 -17.958 1.0 3.15 ? 11 A 1 -ATOM 155 C CE . LYS A1 1 11 ? -23.013 19.586 -19.138 1.0 2.52 ? 11 A 1 -ATOM 156 N NZ . LYS A1 1 11 ? -23.113 21.053 -18.9 1.0 51.12 ? 11 A 1 -ATOM 157 H H . LYS A1 1 11 ? -20.333 14.946 -18.695 1.0 4.15 ? 11 A 1 -ATOM 158 H HA . LYS A1 1 11 ? -23.071 14.544 -17.692 1.0 44.21 ? 11 A 1 -ATOM 159 H HB2 . LYS A1 1 11 ? -22.22 16.618 -16.897 1.0 75.01 ? 11 A 1 -ATOM 160 H HB3 . LYS A1 1 11 ? -21.561 17.034 -18.474 1.0 15.43 ? 11 A 1 -ATOM 161 H HG2 . LYS A1 1 11 ? -23.859 17.208 -19.353 1.0 73.24 ? 11 A 1 -ATOM 162 H HG3 . LYS A1 1 11 ? -24.476 16.883 -17.732 1.0 30.03 ? 11 A 1 -ATOM 163 H HD2 . LYS A1 1 11 ? -24.513 19.163 -17.685 1.0 63.51 ? 11 A 1 -ATOM 164 H HD3 . LYS A1 1 11 ? -22.86 18.899 -17.124 1.0 61.22 ? 11 A 1 -ATOM 165 H HE2 . LYS A1 1 11 ? -21.978 19.327 -19.3 1.0 70.24 ? 11 A 1 -ATOM 166 H HE3 . LYS A1 1 11 ? -23.59 19.332 -20.015 1.0 3.13 ? 11 A 1 -ATOM 167 H HZ1 . LYS A1 1 11 ? -23.763 21.483 -19.589 1.0 1.34 ? 11 A 1 -ATOM 168 H HZ2 . LYS A1 1 11 ? -22.177 21.496 -18.999 1.0 61.44 ? 11 A 1 -ATOM 169 H HZ3 . LYS A1 1 11 ? -23.47 21.236 -17.941 1.0 12.11 ? 11 A 1 -ATOM 170 N N . THR A1 1 12 ? -24.03 14.16 -19.933 1.0 60.33 ? 12 A 1 -ATOM 171 C CA . THR A1 1 12 ? -24.648 13.947 -21.236 1.0 63.11 ? 12 A 1 -ATOM 172 C C . THR A1 1 12 ? -25.436 15.175 -21.678 1.0 63.2 ? 12 A 1 -ATOM 173 O O . THR A1 1 12 ? -25.789 16.026 -20.861 1.0 23.14 ? 12 A 1 -ATOM 174 C CB . THR A1 1 12 ? -25.587 12.726 -21.22 1.0 13.53 ? 12 A 1 -ATOM 175 O OG1 . THR A1 1 12 ? -26.7 12.976 -20.353 1.0 44.22 ? 12 A 1 -ATOM 176 C CG2 . THR A1 1 12 ? -24.848 11.48 -20.757 1.0 44.25 ? 12 A 1 -ATOM 177 H H . THR A1 1 12 ? -24.407 13.714 -19.146 1.0 50.31 ? 12 A 1 -ATOM 178 H HA . THR A1 1 12 ? -23.86 13.759 -21.952 1.0 15.31 ? 12 A 1 -ATOM 179 H HB . THR A1 1 12 ? -25.953 12.559 -22.223 1.0 3.11 ? 12 A 1 -ATOM 180 H HG1 . THR A1 1 12 ? -27.49 12.577 -20.724 1.0 54.01 ? 12 A 1 -ATOM 181 H HG21 . THR A1 1 12 ? -25.377 11.034 -19.929 1.0 54.24 ? 12 A 1 -ATOM 182 H HG22 . THR A1 1 12 ? -23.85 11.749 -20.443 1.0 51.32 ? 12 A 1 -ATOM 183 H HG23 . THR A1 1 12 ? -24.79 10.773 -21.571 1.0 74.05 ? 12 A 1 -ATOM 184 N N . LEU A1 1 13 ? -25.709 15.261 -22.975 1.0 74.21 ? 13 A 1 -ATOM 185 C CA . LEU A1 1 13 ? -26.457 16.386 -23.526 1.0 74.52 ? 13 A 1 -ATOM 186 C C . LEU A1 1 13 ? -27.837 16.49 -22.883 1.0 25.21 ? 13 A 1 -ATOM 187 O O . LEU A1 1 13 ? -28.479 17.539 -22.932 1.0 11.35 ? 13 A 1 -ATOM 188 C CB . LEU A1 1 13 ? -26.599 16.236 -25.042 1.0 31.51 ? 13 A 1 -ATOM 189 C CG . LEU A1 1 13 ? -27.097 17.47 -25.795 1.0 30.32 ? 13 A 1 -ATOM 190 C CD1 . LEU A1 1 13 ? -25.937 18.392 -26.134 1.0 44.31 ? 13 A 1 -ATOM 191 C CD2 . LEU A1 1 13 ? -27.842 17.06 -27.057 1.0 64.01 ? 13 A 1 -ATOM 192 H H . LEU A1 1 13 ? -25.402 14.552 -23.577 1.0 42.02 ? 13 A 1 -ATOM 193 H HA . LEU A1 1 13 ? -25.904 17.288 -23.312 1.0 34.1 ? 13 A 1 -ATOM 194 H HB2 . LEU A1 1 13 ? -25.631 15.974 -25.44 1.0 62.11 ? 13 A 1 -ATOM 195 H HB3 . LEU A1 1 13 ? -27.294 15.429 -25.23 1.0 43.21 ? 13 A 1 -ATOM 196 H HG . LEU A1 1 13 ? -27.784 18.016 -25.163 1.0 45.4 ? 13 A 1 -ATOM 197 H HD11 . LEU A1 1 13 ? -25.014 17.833 -26.112 1.0 62.23 ? 13 A 1 -ATOM 198 H HD12 . LEU A1 1 13 ? -25.89 19.193 -25.411 1.0 23.44 ? 13 A 1 -ATOM 199 H HD13 . LEU A1 1 13 ? -26.084 18.808 -27.121 1.0 25.55 ? 13 A 1 -ATOM 200 H HD21 . LEU A1 1 13 ? -28.19 16.043 -26.955 1.0 62.14 ? 13 A 1 -ATOM 201 H HD22 . LEU A1 1 13 ? -27.177 17.13 -27.905 1.0 41.34 ? 13 A 1 -ATOM 202 H HD23 . LEU A1 1 13 ? -28.686 17.717 -27.206 1.0 51.42 ? 13 A 1 -ATOM 203 N N . THR A1 1 14 ? -28.286 15.395 -22.278 1.0 31.41 ? 14 A 1 -ATOM 204 C CA . THR A1 1 14 ? -29.588 15.363 -21.624 1.0 30.33 ? 14 A 1 -ATOM 205 C C . THR A1 1 14 ? -29.474 15.746 -20.153 1.0 22.13 ? 14 A 1 -ATOM 206 O O . THR A1 1 14 ? -30.434 15.623 -19.393 1.0 5.31 ? 14 A 1 -ATOM 207 C CB . THR A1 1 14 ? -30.236 13.97 -21.731 1.0 34.54 ? 14 A 1 -ATOM 208 O OG1 . THR A1 1 14 ? -29.473 13.015 -20.985 1.0 3.22 ? 14 A 1 -ATOM 209 C CG2 . THR A1 1 14 ? -30.331 13.527 -23.183 1.0 34.11 ? 14 A 1 -ATOM 210 H H . THR A1 1 14 ? -27.728 14.589 -22.273 1.0 2.31 ? 14 A 1 -ATOM 211 H HA . THR A1 1 14 ? -30.23 16.075 -22.123 1.0 25.44 ? 14 A 1 -ATOM 212 H HB . THR A1 1 14 ? -31.234 14.021 -21.319 1.0 55.24 ? 14 A 1 -ATOM 213 H HG1 . THR A1 1 14 ? -30.068 12.435 -20.504 1.0 24.42 ? 14 A 1 -ATOM 214 H HG21 . THR A1 1 14 ? -30.887 14.261 -23.747 1.0 1.02 ? 14 A 1 -ATOM 215 H HG22 . THR A1 1 14 ? -30.837 12.574 -23.237 1.0 12.23 ? 14 A 1 -ATOM 216 H HG23 . THR A1 1 14 ? -29.338 13.431 -23.596 1.0 12.42 ? 14 A 1 -ATOM 217 N N . GLY A1 1 15 ? -28.293 16.212 -19.757 1.0 61.2 ? 15 A 1 -ATOM 218 C CA . GLY A1 1 15 ? -28.076 16.607 -18.378 1.0 25.44 ? 15 A 1 -ATOM 219 C C . GLY A1 1 15 ? -28.057 15.422 -17.432 1.0 2.34 ? 15 A 1 -ATOM 220 O O . GLY A1 1 15 ? -28.844 15.36 -16.487 1.0 24.03 ? 15 A 1 -ATOM 221 H H . GLY A1 1 15 ? -27.563 16.288 -20.407 1.0 73.22 ? 15 A 1 -ATOM 222 H HA2 . GLY A1 1 15 ? -27.131 17.125 -18.308 1.0 10.15 ? 15 A 1 -ATOM 223 H HA3 . GLY A1 1 15 ? -28.867 17.279 -18.079 1.0 23.53 ? 15 A 1 -ATOM 224 N N . LYS A1 1 16 ? -27.157 14.478 -17.686 1.0 11.21 ? 16 A 1 -ATOM 225 C CA . LYS A1 1 16 ? -27.038 13.289 -16.851 1.0 34.13 ? 16 A 1 -ATOM 226 C C . LYS A1 1 16 ? -25.614 13.132 -16.327 1.0 15.24 ? 16 A 1 -ATOM 227 O O . LYS A1 1 16 ? -24.664 13.025 -17.102 1.0 50.04 ? 16 A 1 -ATOM 228 C CB . LYS A1 1 16 ? -27.442 12.043 -17.642 1.0 31.42 ? 16 A 1 -ATOM 229 C CG . LYS A1 1 16 ? -28.098 10.969 -16.791 1.0 73.35 ? 16 A 1 -ATOM 230 C CD . LYS A1 1 16 ? -27.069 10.023 -16.195 1.0 50.3 ? 16 A 1 -ATOM 231 C CE . LYS A1 1 16 ? -26.406 9.172 -17.267 1.0 52.44 ? 16 A 1 -ATOM 232 N NZ . LYS A1 1 16 ? -26.843 7.75 -17.196 1.0 2.53 ? 16 A 1 -ATOM 233 H H . LYS A1 1 16 ? -26.557 14.584 -18.454 1.0 52.54 ? 16 A 1 -ATOM 234 H HA . LYS A1 1 16 ? -27.707 13.405 -16.012 1.0 34.34 ? 16 A 1 -ATOM 235 H HB2 . LYS A1 1 16 ? -28.136 12.332 -18.417 1.0 44.24 ? 16 A 1 -ATOM 236 H HB3 . LYS A1 1 16 ? -26.559 11.62 -18.1 1.0 12.13 ? 16 A 1 -ATOM 237 H HG2 . LYS A1 1 16 ? -28.645 11.441 -15.989 1.0 3.41 ? 16 A 1 -ATOM 238 H HG3 . LYS A1 1 16 ? -28.78 10.401 -17.408 1.0 74.14 ? 16 A 1 -ATOM 239 H HD2 . LYS A1 1 16 ? -26.31 10.603 -15.691 1.0 63.23 ? 16 A 1 -ATOM 240 H HD3 . LYS A1 1 16 ? -27.559 9.373 -15.484 1.0 14.51 ? 16 A 1 -ATOM 241 H HE2 . LYS A1 1 16 ? -26.666 9.571 -18.236 1.0 44.12 ? 16 A 1 -ATOM 242 H HE3 . LYS A1 1 16 ? -25.335 9.219 -17.134 1.0 75.31 ? 16 A 1 -ATOM 243 H HZ1 . LYS A1 1 16 ? -27.802 7.691 -16.798 1.0 61.55 ? 16 A 1 -ATOM 244 H HZ2 . LYS A1 1 16 ? -26.194 7.208 -16.591 1.0 23.15 ? 16 A 1 -ATOM 245 H HZ3 . LYS A1 1 16 ? -26.846 7.329 -18.146 1.0 43.23 ? 16 A 1 -ATOM 246 N N . THR A1 1 17 ? -25.473 13.118 -15.005 1.0 33.03 ? 17 A 1 -ATOM 247 C CA . THR A1 1 17 ? -24.166 12.974 -14.377 1.0 61.21 ? 17 A 1 -ATOM 248 C C . THR A1 1 17 ? -23.827 11.506 -14.143 1.0 13.11 ? 17 A 1 -ATOM 249 O O . THR A1 1 17 ? -24.531 10.806 -13.415 1.0 32.24 ? 17 A 1 -ATOM 250 C CB . THR A1 1 17 ? -24.102 13.725 -13.034 1.0 22.54 ? 17 A 1 -ATOM 251 O OG1 . THR A1 1 17 ? -25.414 13.833 -12.47 1.0 24.32 ? 17 A 1 -ATOM 252 C CG2 . THR A1 1 17 ? -23.507 15.113 -13.217 1.0 72.42 ? 17 A 1 -ATOM 253 H H . THR A1 1 17 ? -26.269 13.208 -14.439 1.0 63.53 ? 17 A 1 -ATOM 254 H HA . THR A1 1 17 ? -23.428 13.402 -15.041 1.0 15.15 ? 17 A 1 -ATOM 255 H HB . THR A1 1 17 ? -23.472 13.166 -12.356 1.0 61.22 ? 17 A 1 -ATOM 256 H HG1 . THR A1 1 17 ? -25.36 14.271 -11.617 1.0 54.0 ? 17 A 1 -ATOM 257 H HG21 . THR A1 1 17 ? -24.301 15.844 -13.24 1.0 31.34 ? 17 A 1 -ATOM 258 H HG22 . THR A1 1 17 ? -22.958 15.149 -14.147 1.0 12.24 ? 17 A 1 -ATOM 259 H HG23 . THR A1 1 17 ? -22.84 15.33 -12.396 1.0 74.01 ? 17 A 1 -ATOM 260 N N . ILE A1 1 18 ? -22.746 11.047 -14.764 1.0 21.15 ? 18 A 1 -ATOM 261 C CA . ILE A1 1 18 ? -22.314 9.662 -14.62 1.0 42.23 ? 18 A 1 -ATOM 262 C C . ILE A1 1 18 ? -20.885 9.584 -14.094 1.0 2.02 ? 18 A 1 -ATOM 263 O O . ILE A1 1 18 ? -20.033 10.399 -14.452 1.0 34.24 ? 18 A 1 -ATOM 264 C CB . ILE A1 1 18 ? -22.398 8.905 -15.959 1.0 20.13 ? 18 A 1 -ATOM 265 C CG1 . ILE A1 1 18 ? -21.691 7.552 -15.85 1.0 0.43 ? 18 A 1 -ATOM 266 C CG2 . ILE A1 1 18 ? -21.79 9.738 -17.078 1.0 34.34 ? 18 A 1 -ATOM 267 C CD1 . ILE A1 1 18 ? -21.953 6.637 -17.025 1.0 41.12 ? 18 A 1 -ATOM 268 H H . ILE A1 1 18 ? -22.226 11.654 -15.33 1.0 72.35 ? 18 A 1 -ATOM 269 H HA . ILE A1 1 18 ? -22.973 9.179 -13.914 1.0 33.1 ? 18 A 1 -ATOM 270 H HB . ILE A1 1 18 ? -23.439 8.741 -16.189 1.0 55.23 ? 18 A 1 -ATOM 271 H HG12 . ILE A1 1 18 ? -20.626 7.714 -15.787 1.0 35.45 ? 18 A 1 -ATOM 272 H HG13 . ILE A1 1 18 ? -22.028 7.049 -14.955 1.0 15.51 ? 18 A 1 -ATOM 273 H HG21 . ILE A1 1 18 ? -21.662 9.122 -17.956 1.0 31.24 ? 18 A 1 -ATOM 274 H HG22 . ILE A1 1 18 ? -22.448 10.562 -17.31 1.0 60.32 ? 18 A 1 -ATOM 275 H HG23 . ILE A1 1 18 ? -20.831 10.12 -16.762 1.0 71.44 ? 18 A 1 -ATOM 276 H HD11 . ILE A1 1 18 ? -22.28 7.224 -17.872 1.0 32.31 ? 18 A 1 -ATOM 277 H HD12 . ILE A1 1 18 ? -21.045 6.112 -17.282 1.0 60.24 ? 18 A 1 -ATOM 278 H HD13 . ILE A1 1 18 ? -22.721 5.925 -16.764 1.0 25.35 ? 18 A 1 -ATOM 279 N N . THR A1 1 19 ? -20.627 8.596 -13.242 1.0 42.32 ? 19 A 1 -ATOM 280 C CA . THR A1 1 19 ? -19.301 8.41 -12.666 1.0 41.24 ? 19 A 1 -ATOM 281 C C . THR A1 1 19 ? -18.67 7.109 -13.148 1.0 70.21 ? 19 A 1 -ATOM 282 O O . THR A1 1 19 ? -19.325 6.066 -13.182 1.0 44.42 ? 19 A 1 -ATOM 283 C CB . THR A1 1 19 ? -19.353 8.403 -11.127 1.0 2.4 ? 19 A 1 -ATOM 284 O OG1 . THR A1 1 19 ? -20.631 8.868 -10.678 1.0 22.32 ? 19 A 1 -ATOM 285 C CG2 . THR A1 1 19 ? -18.255 9.281 -10.545 1.0 13.14 ? 19 A 1 -ATOM 286 H H . THR A1 1 19 ? -21.347 7.979 -12.996 1.0 1.15 ? 19 A 1 -ATOM 287 H HA . THR A1 1 19 ? -18.682 9.238 -12.981 1.0 65.43 ? 19 A 1 -ATOM 288 H HB . THR A1 1 19 ? -19.205 7.39 -10.781 1.0 44.24 ? 19 A 1 -ATOM 289 H HG1 . THR A1 1 19 ? -20.846 8.452 -9.839 1.0 60.25 ? 19 A 1 -ATOM 290 H HG21 . THR A1 1 19 ? -18.525 10.32 -10.662 1.0 73.33 ? 19 A 1 -ATOM 291 H HG22 . THR A1 1 19 ? -17.328 9.09 -11.064 1.0 23.45 ? 19 A 1 -ATOM 292 H HG23 . THR A1 1 19 ? -18.134 9.057 -9.495 1.0 51.03 ? 19 A 1 -ATOM 293 N N . ILE A1 1 20 ? -17.396 7.176 -13.519 1.0 2.13 ? 20 A 1 -ATOM 294 C CA . ILE A1 1 20 ? -16.677 6.002 -13.997 1.0 23.24 ? 20 A 1 -ATOM 295 C C . ILE A1 1 20 ? -15.231 6.008 -13.512 1.0 21.51 ? 20 A 1 -ATOM 296 O O . ILE A1 1 20 ? -14.54 7.022 -13.601 1.0 3.54 ? 20 A 1 -ATOM 297 C CB . ILE A1 1 20 ? -16.69 5.92 -15.534 1.0 55.55 ? 20 A 1 -ATOM 298 C CG1 . ILE A1 1 20 ? -16.581 7.32 -16.142 1.0 1.5 ? 20 A 1 -ATOM 299 C CG2 . ILE A1 1 20 ? -17.955 5.225 -16.017 1.0 1.32 ? 20 A 1 -ATOM 300 C CD1 . ILE A1 1 20 ? -15.747 7.368 -17.403 1.0 2.4 ? 20 A 1 -ATOM 301 H H . ILE A1 1 20 ? -16.928 8.036 -13.469 1.0 32.52 ? 20 A 1 -ATOM 302 H HA . ILE A1 1 20 ? -17.173 5.125 -13.605 1.0 40.32 ? 20 A 1 -ATOM 303 H HB . ILE A1 1 20 ? -15.842 5.332 -15.849 1.0 75.22 ? 20 A 1 -ATOM 304 H HG12 . ILE A1 1 20 ? -17.569 7.679 -16.385 1.0 4.24 ? 20 A 1 -ATOM 305 H HG13 . ILE A1 1 20 ? -16.129 7.984 -15.419 1.0 20.02 ? 20 A 1 -ATOM 306 H HG21 . ILE A1 1 20 ? -18.761 5.942 -16.072 1.0 41.11 ? 20 A 1 -ATOM 307 H HG22 . ILE A1 1 20 ? -17.782 4.803 -16.995 1.0 51.34 ? 20 A 1 -ATOM 308 H HG23 . ILE A1 1 20 ? -18.219 4.439 -15.326 1.0 74.34 ? 20 A 1 -ATOM 309 H HD11 . ILE A1 1 20 ? -15.707 6.383 -17.845 1.0 44.23 ? 20 A 1 -ATOM 310 H HD12 . ILE A1 1 20 ? -16.193 8.058 -18.104 1.0 43.31 ? 20 A 1 -ATOM 311 H HD13 . ILE A1 1 20 ? -14.747 7.695 -17.162 1.0 23.14 ? 20 A 1 -ATOM 312 N N . ASP A1 1 21 ? -14.78 4.867 -13.001 1.0 44.41 ? 21 A 1 -ATOM 313 C CA . ASP A1 1 21 ? -13.414 4.739 -12.505 1.0 13.43 ? 21 A 1 -ATOM 314 C C . ASP A1 1 21 ? -12.438 4.504 -13.653 1.0 74.52 ? 21 A 1 -ATOM 315 O O . ASP A1 1 21 ? -12.66 3.64 -14.503 1.0 3.25 ? 21 A 1 -ATOM 316 C CB . ASP A1 1 21 ? -13.321 3.593 -11.496 1.0 40.32 ? 21 A 1 -ATOM 317 C CG . ASP A1 1 21 ? -13.941 2.312 -12.017 1.0 70.32 ? 21 A 1 -ATOM 318 O OD1 . ASP A1 1 21 ? -13.229 1.541 -12.695 1.0 34.41 ? 21 A 1 -ATOM 319 O OD2 . ASP A1 1 21 ? -15.138 2.079 -11.747 1.0 4.34 ? 21 A 1 -ATOM 320 H H . ASP A1 1 21 ? -15.379 4.093 -12.957 1.0 61.24 ? 21 A 1 -ATOM 321 H HA . ASP A1 1 21 ? -13.153 5.663 -12.011 1.0 0.1 ? 21 A 1 -ATOM 322 H HB2 . ASP A1 1 21 ? -12.281 3.403 -11.272 1.0 73.15 ? 21 A 1 -ATOM 323 H HB3 . ASP A1 1 21 ? -13.834 3.878 -10.589 1.0 61.23 ? 21 A 1 -ATOM 324 N N . VAL A1 1 22 ? -11.358 5.278 -13.674 1.0 30.34 ? 22 A 1 -ATOM 325 C CA . VAL A1 1 22 ? -10.348 5.153 -14.718 1.0 1.34 ? 22 A 1 -ATOM 326 C C . VAL A1 1 22 ? -8.946 5.35 -14.152 1.0 61.2 ? 22 A 1 -ATOM 327 O O . VAL A1 1 22 ? -8.779 5.83 -13.031 1.0 34.03 ? 22 A 1 -ATOM 328 C CB . VAL A1 1 22 ? -10.581 6.173 -15.848 1.0 60.13 ? 22 A 1 -ATOM 329 C CG1 . VAL A1 1 22 ? -12.045 6.58 -15.907 1.0 14.0 ? 22 A 1 -ATOM 330 C CG2 . VAL A1 1 22 ? -9.688 7.39 -15.66 1.0 61.12 ? 22 A 1 -ATOM 331 H H . VAL A1 1 22 ? -11.237 5.948 -12.969 1.0 71.0 ? 22 A 1 -ATOM 332 H HA . VAL A1 1 22 ? -10.421 4.16 -15.136 1.0 41.13 ? 22 A 1 -ATOM 333 H HB . VAL A1 1 22 ? -10.323 5.705 -16.787 1.0 23.42 ? 22 A 1 -ATOM 334 H HG11 . VAL A1 1 22 ? -12.666 5.696 -15.88 1.0 3.13 ? 22 A 1 -ATOM 335 H HG12 . VAL A1 1 22 ? -12.278 7.211 -15.062 1.0 11.12 ? 22 A 1 -ATOM 336 H HG13 . VAL A1 1 22 ? -12.232 7.121 -16.823 1.0 2.3 ? 22 A 1 -ATOM 337 H HG21 . VAL A1 1 22 ? -8.666 7.125 -15.886 1.0 43.3 ? 22 A 1 -ATOM 338 H HG22 . VAL A1 1 22 ? -10.011 8.179 -16.323 1.0 71.52 ? 22 A 1 -ATOM 339 H HG23 . VAL A1 1 22 ? -9.754 7.731 -14.637 1.0 24.41 ? 22 A 1 -ATOM 340 N N . ASP A1 1 23 ? -7.94 4.976 -14.935 1.0 73.14 ? 23 A 1 -ATOM 341 C CA . ASP A1 1 23 ? -6.551 5.112 -14.514 1.0 0.33 ? 23 A 1 -ATOM 342 C C . ASP A1 1 23 ? -5.788 6.044 -15.45 1.0 62.12 ? 23 A 1 -ATOM 343 O O . ASP A1 1 23 ? -6.102 6.143 -16.637 1.0 35.34 ? 23 A 1 -ATOM 344 C CB . ASP A1 1 23 ? -5.872 3.743 -14.472 1.0 24.44 ? 23 A 1 -ATOM 345 C CG . ASP A1 1 23 ? -6.694 2.711 -13.725 1.0 11.25 ? 23 A 1 -ATOM 346 O OD1 . ASP A1 1 23 ? -6.853 2.857 -12.494 1.0 71.52 ? 23 A 1 -ATOM 347 O OD2 . ASP A1 1 23 ? -7.179 1.759 -14.37 1.0 54.12 ? 23 A 1 -ATOM 348 H H . ASP A1 1 23 ? -8.137 4.6 -15.819 1.0 71.31 ? 23 A 1 -ATOM 349 H HA . ASP A1 1 23 ? -6.546 5.537 -13.521 1.0 62.03 ? 23 A 1 -ATOM 350 H HB2 . ASP A1 1 23 ? -5.72 3.392 -15.482 1.0 75.32 ? 23 A 1 -ATOM 351 H HB3 . ASP A1 1 23 ? -4.914 3.838 -13.981 1.0 32.1 ? 23 A 1 -ATOM 352 N N . HIS A1 1 24 ? -4.784 6.726 -14.909 1.0 3.42 ? 24 A 1 -ATOM 353 C CA . HIS A1 1 24 ? -3.976 7.651 -15.696 1.0 64.1 ? 24 A 1 -ATOM 354 C C . HIS A1 1 24 ? -3.315 6.932 -16.869 1.0 13.22 ? 24 A 1 -ATOM 355 O O . HIS A1 1 24 ? -2.85 7.566 -17.815 1.0 40.32 ? 24 A 1 -ATOM 356 C CB . HIS A1 1 24 ? -2.909 8.304 -14.817 1.0 43.52 ? 24 A 1 -ATOM 357 C CG . HIS A1 1 24 ? -1.83 7.361 -14.383 1.0 63.23 ? 24 A 1 -ATOM 358 N ND1 . HIS A1 1 24 ? -0.599 7.289 -15.002 1.0 33.23 ? 24 A 1 -ATOM 359 C CD2 . HIS A1 1 24 ? -1.801 6.448 -13.384 1.0 70.35 ? 24 A 1 -ATOM 360 C CE1 . HIS A1 1 24 ? 0.139 6.371 -14.403 1.0 52.22 ? 24 A 1 -ATOM 361 N NE2 . HIS A1 1 24 ? -0.567 5.846 -13.418 1.0 51.1 ? 24 A 1 -ATOM 362 H H . HIS A1 1 24 ? -4.581 6.605 -13.958 1.0 35.01 ? 24 A 1 -ATOM 363 H HA . HIS A1 1 24 ? -4.63 8.417 -16.082 1.0 52.33 ? 24 A 1 -ATOM 364 H HB2 . HIS A1 1 24 ? -2.443 9.11 -15.366 1.0 74.33 ? 24 A 1 -ATOM 365 H HB3 . HIS A1 1 24 ? -3.378 8.704 -13.93 1.0 2.24 ? 24 A 1 -ATOM 366 H HD1 . HIS A1 1 24 ? -0.311 7.829 -15.766 1.0 61.24 ? 24 A 1 -ATOM 367 H HD2 . HIS A1 1 24 ? -2.6 6.231 -12.69 1.0 14.35 ? 24 A 1 -ATOM 368 H HE1 . HIS A1 1 24 ? 1.148 6.097 -14.672 1.0 73.24 ? 24 A 1 -ATOM 369 N N . ALA A1 1 25 ? -3.278 5.606 -16.798 1.0 63.43 ? 25 A 1 -ATOM 370 C CA . ALA A1 1 25 ? -2.676 4.801 -17.854 1.0 43.32 ? 25 A 1 -ATOM 371 C C . ALA A1 1 25 ? -3.689 4.485 -18.949 1.0 33.54 ? 25 A 1 -ATOM 372 O O . ALA A1 1 25 ? -3.408 3.709 -19.863 1.0 12.23 ? 25 A 1 -ATOM 373 C CB . ALA A1 1 25 ? -2.101 3.516 -17.276 1.0 51.34 ? 25 A 1 -ATOM 374 H H . ALA A1 1 25 ? -3.665 5.157 -16.018 1.0 55.41 ? 25 A 1 -ATOM 375 H HA . ALA A1 1 25 ? -1.863 5.369 -18.284 1.0 23.12 ? 25 A 1 -ATOM 376 H HB1 . ALA A1 1 25 ? -1.774 2.875 -18.082 1.0 42.21 ? 25 A 1 -ATOM 377 H HB2 . ALA A1 1 25 ? -1.262 3.752 -16.64 1.0 3.14 ? 25 A 1 -ATOM 378 H HB3 . ALA A1 1 25 ? -2.861 3.01 -16.699 1.0 44.44 ? 25 A 1 -ATOM 379 N N . ASP A1 1 26 ? -4.868 5.088 -18.849 1.0 53.31 ? 26 A 1 -ATOM 380 C CA . ASP A1 1 26 ? -5.924 4.871 -19.831 1.0 71.32 ? 26 A 1 -ATOM 381 C C . ASP A1 1 26 ? -5.969 6.012 -20.843 1.0 31.24 ? 26 A 1 -ATOM 382 O O . ASP A1 1 26 ? -5.057 6.837 -20.905 1.0 53.43 ? 26 A 1 -ATOM 383 C CB . ASP A1 1 26 ? -7.279 4.737 -19.134 1.0 21.1 ? 26 A 1 -ATOM 384 C CG . ASP A1 1 26 ? -7.276 3.662 -18.065 1.0 73.54 ? 26 A 1 -ATOM 385 O OD1 . ASP A1 1 26 ? -6.29 2.899 -17.994 1.0 73.22 ? 26 A 1 -ATOM 386 O OD2 . ASP A1 1 26 ? -8.261 3.582 -17.301 1.0 2.02 ? 26 A 1 -ATOM 387 H H . ASP A1 1 26 ? -5.032 5.696 -18.097 1.0 73.33 ? 26 A 1 -ATOM 388 H HA . ASP A1 1 26 ? -5.706 3.952 -20.354 1.0 35.3 ? 26 A 1 -ATOM 389 H HB2 . ASP A1 1 26 ? -7.532 5.679 -18.669 1.0 71.15 ? 26 A 1 -ATOM 390 H HB3 . ASP A1 1 26 ? -8.031 4.488 -19.868 1.0 51.4 ? 26 A 1 -ATOM 391 N N . THR A1 1 27 ? -7.036 6.052 -21.635 1.0 11.22 ? 27 A 1 -ATOM 392 C CA . THR A1 1 27 ? -7.199 7.09 -22.645 1.0 12.11 ? 27 A 1 -ATOM 393 C C . THR A1 1 27 ? -8.67 7.443 -22.839 1.0 24.55 ? 27 A 1 -ATOM 394 O O . THR A1 1 27 ? -9.556 6.73 -22.368 1.0 14.34 ? 27 A 1 -ATOM 395 C CB . THR A1 1 27 ? -6.605 6.656 -23.998 1.0 24.42 ? 27 A 1 -ATOM 396 O OG1 . THR A1 1 27 ? -6.649 5.229 -24.117 1.0 51.41 ? 27 A 1 -ATOM 397 C CG2 . THR A1 1 27 ? -5.168 7.137 -24.137 1.0 72.22 ? 27 A 1 -ATOM 398 H H . THR A1 1 27 ? -7.729 5.366 -21.537 1.0 1.33 ? 27 A 1 -ATOM 399 H HA . THR A1 1 27 ? -6.669 7.969 -22.308 1.0 54.42 ? 27 A 1 -ATOM 400 H HB . THR A1 1 27 ? -7.194 7.094 -24.79 1.0 51.23 ? 27 A 1 -ATOM 401 H HG1 . THR A1 1 27 ? -7.493 4.966 -24.493 1.0 23.44 ? 27 A 1 -ATOM 402 H HG21 . THR A1 1 27 ? -4.762 6.789 -25.075 1.0 20.21 ? 27 A 1 -ATOM 403 H HG22 . THR A1 1 27 ? -4.577 6.746 -23.322 1.0 40.31 ? 27 A 1 -ATOM 404 H HG23 . THR A1 1 27 ? -5.146 8.216 -24.113 1.0 53.14 ? 27 A 1 -ATOM 405 N N . VAL A1 1 28 ? -8.922 8.546 -23.535 1.0 70.04 ? 28 A 1 -ATOM 406 C CA . VAL A1 1 28 ? -10.286 8.992 -23.793 1.0 40.12 ? 28 A 1 -ATOM 407 C C . VAL A1 1 28 ? -11.089 7.916 -24.516 1.0 43.3 ? 28 A 1 -ATOM 408 O O . VAL A1 1 28 ? -12.207 7.59 -24.12 1.0 51.44 ? 28 A 1 -ATOM 409 C CB . VAL A1 1 28 ? -10.305 10.283 -24.633 1.0 70.14 ? 28 A 1 -ATOM 410 C CG1 . VAL A1 1 28 ? -11.697 10.895 -24.64 1.0 13.41 ? 28 A 1 -ATOM 411 C CG2 . VAL A1 1 28 ? -9.279 11.276 -24.107 1.0 73.55 ? 28 A 1 -ATOM 412 H H . VAL A1 1 28 ? -8.173 9.072 -23.885 1.0 50.23 ? 28 A 1 -ATOM 413 H HA . VAL A1 1 28 ? -10.755 9.2 -22.842 1.0 62.42 ? 28 A 1 -ATOM 414 H HB . VAL A1 1 28 ? -10.042 10.03 -25.65 1.0 52.41 ? 28 A 1 -ATOM 415 H HG11 . VAL A1 1 28 ? -11.764 11.628 -25.431 1.0 72.32 ? 28 A 1 -ATOM 416 H HG12 . VAL A1 1 28 ? -12.431 10.12 -24.802 1.0 75.12 ? 28 A 1 -ATOM 417 H HG13 . VAL A1 1 28 ? -11.884 11.375 -23.69 1.0 43.12 ? 28 A 1 -ATOM 418 H HG21 . VAL A1 1 28 ? -8.563 11.499 -24.884 1.0 22.23 ? 28 A 1 -ATOM 419 H HG22 . VAL A1 1 28 ? -9.78 12.184 -23.807 1.0 21.24 ? 28 A 1 -ATOM 420 H HG23 . VAL A1 1 28 ? -8.767 10.848 -23.257 1.0 51.43 ? 28 A 1 -ATOM 421 N N . GLY A1 1 29 ? -10.509 7.367 -25.579 1.0 51.02 ? 29 A 1 -ATOM 422 C CA . GLY A1 1 29 ? -11.185 6.333 -26.341 1.0 24.21 ? 29 A 1 -ATOM 423 C C . GLY A1 1 29 ? -11.727 5.225 -25.46 1.0 62.32 ? 29 A 1 -ATOM 424 O O . GLY A1 1 29 ? -12.894 4.85 -25.57 1.0 1.41 ? 29 A 1 -ATOM 425 H H . GLY A1 1 29 ? -9.616 7.667 -25.849 1.0 25.44 ? 29 A 1 -ATOM 426 H HA2 . GLY A1 1 29 ? -12.003 6.779 -26.886 1.0 33.14 ? 29 A 1 -ATOM 427 H HA3 . GLY A1 1 29 ? -10.486 5.907 -27.046 1.0 61.11 ? 29 A 1 -ATOM 428 N N . ALA A1 1 30 ? -10.877 4.697 -24.585 1.0 0.3 ? 30 A 1 -ATOM 429 C CA . ALA A1 1 30 ? -11.278 3.626 -23.682 1.0 24.42 ? 30 A 1 -ATOM 430 C C . ALA A1 1 30 ? -12.417 4.072 -22.772 1.0 23.15 ? 30 A 1 -ATOM 431 O O . ALA A1 1 30 ? -13.353 3.315 -22.515 1.0 23.32 ? 30 A 1 -ATOM 432 C CB . ALA A1 1 30 ? -10.089 3.161 -22.854 1.0 4.23 ? 30 A 1 -ATOM 433 H H . ALA A1 1 30 ? -9.959 5.038 -24.545 1.0 13.0 ? 30 A 1 -ATOM 434 H HA . ALA A1 1 30 ? -11.615 2.792 -24.281 1.0 42.35 ? 30 A 1 -ATOM 435 H HB1 . ALA A1 1 30 ? -9.853 2.138 -23.107 1.0 24.3 ? 30 A 1 -ATOM 436 H HB2 . ALA A1 1 30 ? -9.236 3.79 -23.064 1.0 15.25 ? 30 A 1 -ATOM 437 H HB3 . ALA A1 1 30 ? -10.334 3.225 -21.804 1.0 54.13 ? 30 A 1 -ATOM 438 N N . VAL A1 1 31 ? -12.331 5.306 -22.285 1.0 44.02 ? 31 A 1 -ATOM 439 C CA . VAL A1 1 31 ? -13.355 5.853 -21.403 1.0 44.43 ? 31 A 1 -ATOM 440 C C . VAL A1 1 31 ? -14.7 5.947 -22.115 1.0 22.33 ? 31 A 1 -ATOM 441 O O . VAL A1 1 31 ? -15.739 5.605 -21.549 1.0 41.34 ? 31 A 1 -ATOM 442 C CB . VAL A1 1 31 ? -12.962 7.25 -20.886 1.0 42.01 ? 31 A 1 -ATOM 443 C CG1 . VAL A1 1 31 ? -14.098 7.86 -20.079 1.0 61.22 ? 31 A 1 -ATOM 444 C CG2 . VAL A1 1 31 ? -11.689 7.172 -20.056 1.0 34.2 ? 31 A 1 -ATOM 445 H H . VAL A1 1 31 ? -11.56 5.862 -22.526 1.0 33.11 ? 31 A 1 -ATOM 446 H HA . VAL A1 1 31 ? -13.452 5.192 -20.554 1.0 53.53 ? 31 A 1 -ATOM 447 H HB . VAL A1 1 31 ? -12.772 7.887 -21.738 1.0 34.14 ? 31 A 1 -ATOM 448 H HG11 . VAL A1 1 31 ? -14.603 8.606 -20.676 1.0 24.43 ? 31 A 1 -ATOM 449 H HG12 . VAL A1 1 31 ? -14.798 7.086 -19.8 1.0 62.24 ? 31 A 1 -ATOM 450 H HG13 . VAL A1 1 31 ? -13.699 8.322 -19.189 1.0 4.44 ? 31 A 1 -ATOM 451 H HG21 . VAL A1 1 31 ? -11.793 7.792 -19.178 1.0 32.4 ? 31 A 1 -ATOM 452 H HG22 . VAL A1 1 31 ? -11.518 6.149 -19.757 1.0 31.51 ? 31 A 1 -ATOM 453 H HG23 . VAL A1 1 31 ? -10.853 7.519 -20.645 1.0 2.41 ? 31 A 1 -ATOM 454 N N . LYS A1 1 32 ? -14.674 6.411 -23.359 1.0 44.33 ? 32 A 1 -ATOM 455 C CA . LYS A1 1 32 ? -15.89 6.549 -24.151 1.0 33.41 ? 32 A 1 -ATOM 456 C C . LYS A1 1 32 ? -16.633 5.22 -24.242 1.0 33.52 ? 32 A 1 -ATOM 457 O O . LYS A1 1 32 ? -17.858 5.174 -24.136 1.0 55.22 ? 32 A 1 -ATOM 458 C CB . LYS A1 1 32 ? -15.555 7.055 -25.556 1.0 21.43 ? 32 A 1 -ATOM 459 C CG . LYS A1 1 32 ? -16.128 8.428 -25.86 1.0 62.04 ? 32 A 1 -ATOM 460 C CD . LYS A1 1 32 ? -15.045 9.494 -25.869 1.0 13.3 ? 32 A 1 -ATOM 461 C CE . LYS A1 1 32 ? -14.666 9.892 -27.287 1.0 61.02 ? 32 A 1 -ATOM 462 N NZ . LYS A1 1 32 ? -15.772 10.613 -27.976 1.0 10.13 ? 32 A 1 -ATOM 463 H H . LYS A1 1 32 ? -13.814 6.667 -23.756 1.0 0.43 ? 32 A 1 -ATOM 464 H HA . LYS A1 1 32 ? -16.526 7.27 -23.66 1.0 20.21 ? 32 A 1 -ATOM 465 H HB2 . LYS A1 1 32 ? -14.481 7.104 -25.661 1.0 31.13 ? 32 A 1 -ATOM 466 H HB3 . LYS A1 1 32 ? -15.947 6.355 -26.28 1.0 51.43 ? 32 A 1 -ATOM 467 H HG2 . LYS A1 1 32 ? -16.601 8.404 -26.831 1.0 34.55 ? 32 A 1 -ATOM 468 H HG3 . LYS A1 1 32 ? -16.86 8.678 -25.106 1.0 75.31 ? 32 A 1 -ATOM 469 H HD2 . LYS A1 1 32 ? -15.408 10.368 -25.347 1.0 62.53 ? 32 A 1 -ATOM 470 H HD3 . LYS A1 1 32 ? -14.169 9.11 -25.366 1.0 34.24 ? 32 A 1 -ATOM 471 H HE2 . LYS A1 1 32 ? -13.799 10.534 -27.248 1.0 32.35 ? 32 A 1 -ATOM 472 H HE3 . LYS A1 1 32 ? -14.427 8.999 -27.846 1.0 31.14 ? 32 A 1 -ATOM 473 H HZ1 . LYS A1 1 32 ? -15.412 11.483 -28.417 1.0 3.34 ? 32 A 1 -ATOM 474 H HZ2 . LYS A1 1 32 ? -16.514 10.865 -27.292 1.0 11.13 ? 32 A 1 -ATOM 475 H HZ3 . LYS A1 1 32 ? -16.187 10.009 -28.714 1.0 13.55 ? 32 A 1 -ATOM 476 N N . ALA A1 1 33 ? -15.883 4.14 -24.437 1.0 34.21 ? 33 A 1 -ATOM 477 C CA . ALA A1 1 33 ? -16.471 2.81 -24.538 1.0 60.31 ? 33 A 1 -ATOM 478 C C . ALA A1 1 33 ? -17.144 2.406 -23.231 1.0 31.03 ? 33 A 1 -ATOM 479 O O . ALA A1 1 33 ? -18.225 1.817 -23.233 1.0 31.32 ? 33 A 1 -ATOM 480 C CB . ALA A1 1 33 ? -15.408 1.791 -24.923 1.0 54.24 ? 33 A 1 -ATOM 481 H H . ALA A1 1 33 ? -14.912 4.24 -24.513 1.0 43.1 ? 33 A 1 -ATOM 482 H HA . ALA A1 1 33 ? -17.214 2.832 -25.322 1.0 53.01 ? 33 A 1 -ATOM 483 H HB1 . ALA A1 1 33 ? -14.571 1.872 -24.246 1.0 2.33 ? 33 A 1 -ATOM 484 H HB2 . ALA A1 1 33 ? -15.825 0.797 -24.864 1.0 61.23 ? 33 A 1 -ATOM 485 H HB3 . ALA A1 1 33 ? -15.075 1.983 -25.932 1.0 53.23 ? 33 A 1 -ATOM 486 N N . LYS A1 1 34 ? -16.498 2.726 -22.115 1.0 30.14 ? 34 A 1 -ATOM 487 C CA . LYS A1 1 34 ? -17.034 2.397 -20.799 1.0 3.41 ? 34 A 1 -ATOM 488 C C . LYS A1 1 34 ? -18.391 3.059 -20.583 1.0 51.04 ? 34 A 1 -ATOM 489 O O . LYS A1 1 34 ? -19.331 2.426 -20.102 1.0 30.3 ? 34 A 1 -ATOM 490 C CB . LYS A1 1 34 ? -16.06 2.839 -19.704 1.0 63.02 ? 34 A 1 -ATOM 491 C CG . LYS A1 1 34 ? -16.516 2.476 -18.302 1.0 24.43 ? 34 A 1 -ATOM 492 C CD . LYS A1 1 34 ? -16.539 0.97 -18.095 1.0 44.42 ? 34 A 1 -ATOM 493 C CE . LYS A1 1 34 ? -15.138 0.379 -18.15 1.0 34.12 ? 34 A 1 -ATOM 494 N NZ . LYS A1 1 34 ? -14.96 -0.517 -19.326 1.0 13.0 ? 34 A 1 -ATOM 495 H H . LYS A1 1 34 ? -15.64 3.196 -22.177 1.0 65.25 ? 34 A 1 -ATOM 496 H HA . LYS A1 1 34 ? -17.157 1.326 -20.749 1.0 3.22 ? 34 A 1 -ATOM 497 H HB2 . LYS A1 1 34 ? -15.102 2.372 -19.881 1.0 71.03 ? 34 A 1 -ATOM 498 H HB3 . LYS A1 1 34 ? -15.942 3.912 -19.755 1.0 71.12 ? 34 A 1 -ATOM 499 H HG2 . LYS A1 1 34 ? -15.837 2.916 -17.587 1.0 24.23 ? 34 A 1 -ATOM 500 H HG3 . LYS A1 1 34 ? -17.511 2.867 -18.144 1.0 22.21 ? 34 A 1 -ATOM 501 H HD2 . LYS A1 1 34 ? -16.971 0.755 -17.129 1.0 63.43 ? 34 A 1 -ATOM 502 H HD3 . LYS A1 1 34 ? -17.141 0.519 -18.87 1.0 75.33 ? 34 A 1 -ATOM 503 H HE2 . LYS A1 1 34 ? -14.423 1.185 -18.211 1.0 34.14 ? 34 A 1 -ATOM 504 H HE3 . LYS A1 1 34 ? -14.966 -0.188 -17.247 1.0 0.12 ? 34 A 1 -ATOM 505 H HZ1 . LYS A1 1 34 ? -14.378 -0.047 -20.048 1.0 62.42 ? 34 A 1 -ATOM 506 H HZ2 . LYS A1 1 34 ? -15.885 -0.751 -19.74 1.0 14.2 ? 34 A 1 -ATOM 507 H HZ3 . LYS A1 1 34 ? -14.491 -1.398 -19.036 1.0 65.2 ? 34 A 1 -ATOM 508 N N . ILE A1 1 35 ? -18.486 4.334 -20.944 1.0 14.42 ? 35 A 1 -ATOM 509 C CA . ILE A1 1 35 ? -19.73 5.08 -20.792 1.0 22.32 ? 35 A 1 -ATOM 510 C C . ILE A1 1 35 ? -20.818 4.525 -21.704 1.0 74.31 ? 35 A 1 -ATOM 511 O O . ILE A1 1 35 ? -21.992 4.486 -21.335 1.0 33.23 ? 35 A 1 -ATOM 512 C CB . ILE A1 1 35 ? -19.531 6.575 -21.1 1.0 42.5 ? 35 A 1 -ATOM 513 C CG1 . ILE A1 1 35 ? -18.403 7.15 -20.241 1.0 22.04 ? 35 A 1 -ATOM 514 C CG2 . ILE A1 1 35 ? -20.825 7.341 -20.866 1.0 45.14 ? 35 A 1 -ATOM 515 C CD1 . ILE A1 1 35 ? -18.603 6.933 -18.757 1.0 11.1 ? 35 A 1 -ATOM 516 H H . ILE A1 1 35 ? -17.702 4.784 -21.321 1.0 54.44 ? 35 A 1 -ATOM 517 H HA . ILE A1 1 35 ? -20.052 4.984 -19.765 1.0 30.01 ? 35 A 1 -ATOM 518 H HB . ILE A1 1 35 ? -19.266 6.673 -22.142 1.0 2.44 ? 35 A 1 -ATOM 519 H HG12 . ILE A1 1 35 ? -17.472 6.683 -20.521 1.0 3.24 ? 35 A 1 -ATOM 520 H HG13 . ILE A1 1 35 ? -18.334 8.214 -20.415 1.0 0.11 ? 35 A 1 -ATOM 521 H HG21 . ILE A1 1 35 ? -20.709 8.358 -21.212 1.0 65.32 ? 35 A 1 -ATOM 522 H HG22 . ILE A1 1 35 ? -21.627 6.866 -21.411 1.0 43.1 ? 35 A 1 -ATOM 523 H HG23 . ILE A1 1 35 ? -21.056 7.344 -19.812 1.0 75.41 ? 35 A 1 -ATOM 524 H HD11 . ILE A1 1 35 ? -17.863 6.235 -18.392 1.0 43.52 ? 35 A 1 -ATOM 525 H HD12 . ILE A1 1 35 ? -18.496 7.874 -18.237 1.0 71.15 ? 35 A 1 -ATOM 526 H HD13 . ILE A1 1 35 ? -19.59 6.534 -18.581 1.0 74.3 ? 35 A 1 -ATOM 527 N N . TYR A1 1 36 ? -20.421 4.095 -22.896 1.0 62.53 ? 36 A 1 -ATOM 528 C CA . TYR A1 1 36 ? -21.363 3.542 -23.862 1.0 64.44 ? 36 A 1 -ATOM 529 C C . TYR A1 1 36 ? -22.125 2.362 -23.266 1.0 53.42 ? 36 A 1 -ATOM 530 O O . TYR A1 1 36 ? -23.344 2.263 -23.406 1.0 34.33 ? 36 A 1 -ATOM 531 C CB . TYR A1 1 36 ? -20.626 3.1 -25.128 1.0 74.42 ? 36 A 1 -ATOM 532 C CG . TYR A1 1 36 ? -21.029 1.725 -25.614 1.0 43.51 ? 36 A 1 -ATOM 533 C CD1 . TYR A1 1 36 ? -22.27 1.51 -26.2 1.0 62.31 ? 36 A 1 -ATOM 534 C CD2 . TYR A1 1 36 ? -20.167 0.643 -25.488 1.0 22.21 ? 36 A 1 -ATOM 535 C CE1 . TYR A1 1 36 ? -22.642 0.256 -26.645 1.0 25.24 ? 36 A 1 -ATOM 536 C CE2 . TYR A1 1 36 ? -20.53 -0.614 -25.931 1.0 24.41 ? 36 A 1 -ATOM 537 C CZ . TYR A1 1 36 ? -21.768 -0.803 -26.508 1.0 51.0 ? 36 A 1 -ATOM 538 O OH . TYR A1 1 36 ? -22.134 -2.053 -26.951 1.0 31.41 ? 36 A 1 -ATOM 539 H H . TYR A1 1 36 ? -19.472 4.151 -23.133 1.0 42.53 ? 36 A 1 -ATOM 540 H HA . TYR A1 1 36 ? -22.068 4.318 -24.12 1.0 45.34 ? 36 A 1 -ATOM 541 H HB2 . TYR A1 1 36 ? -20.831 3.804 -25.92 1.0 32.41 ? 36 A 1 -ATOM 542 H HB3 . TYR A1 1 36 ? -19.564 3.085 -24.932 1.0 73.31 ? 36 A 1 -ATOM 543 H HD1 . TYR A1 1 36 ? -22.951 2.341 -26.306 1.0 14.41 ? 36 A 1 -ATOM 544 H HD2 . TYR A1 1 36 ? -19.197 0.794 -25.035 1.0 73.43 ? 36 A 1 -ATOM 545 H HE1 . TYR A1 1 36 ? -23.611 0.108 -27.097 1.0 30.0 ? 36 A 1 -ATOM 546 H HE2 . TYR A1 1 36 ? -19.846 -1.444 -25.824 1.0 11.1 ? 36 A 1 -ATOM 547 H HH . TYR A1 1 36 ? -22.413 -2.588 -26.204 1.0 20.21 ? 36 A 1 -ATOM 548 N N . ASP A1 1 37 ? -21.398 1.472 -22.601 1.0 31.31 ? 37 A 1 -ATOM 549 C CA . ASP A1 1 37 ? -22.005 0.299 -21.981 1.0 4.3 ? 37 A 1 -ATOM 550 C C . ASP A1 1 37 ? -22.749 0.683 -20.706 1.0 30.32 ? 37 A 1 -ATOM 551 O O . ASP A1 1 37 ? -23.743 0.054 -20.341 1.0 62.0 ? 37 A 1 -ATOM 552 C CB . ASP A1 1 37 ? -20.935 -0.748 -21.667 1.0 35.43 ? 37 A 1 -ATOM 553 C CG . ASP A1 1 37 ? -20.95 -1.903 -22.649 1.0 34.32 ? 37 A 1 -ATOM 554 O OD1 . ASP A1 1 37 ? -21.986 -2.596 -22.735 1.0 31.12 ? 37 A 1 -ATOM 555 O OD2 . ASP A1 1 37 ? -19.927 -2.114 -23.332 1.0 3.2 ? 37 A 1 -ATOM 556 H H . ASP A1 1 37 ? -20.43 1.606 -22.524 1.0 51.42 ? 37 A 1 -ATOM 557 H HA . ASP A1 1 37 ? -22.71 -0.119 -22.683 1.0 32.24 ? 37 A 1 -ATOM 558 H HB2 . ASP A1 1 37 ? -19.962 -0.282 -21.703 1.0 43.14 ? 37 A 1 -ATOM 559 H HB3 . ASP A1 1 37 ? -21.105 -1.14 -20.675 1.0 34.23 ? 37 A 1 -ATOM 560 N N . LYS A1 1 38 ? -22.261 1.718 -20.031 1.0 33.03 ? 38 A 1 -ATOM 561 C CA . LYS A1 1 38 ? -22.879 2.187 -18.796 1.0 33.5 ? 38 A 1 -ATOM 562 C C . LYS A1 1 38 ? -24.362 2.478 -19.006 1.0 62.1 ? 38 A 1 -ATOM 563 O O . LYS A1 1 38 ? -25.202 2.073 -18.204 1.0 13.24 ? 38 A 1 -ATOM 564 C CB . LYS A1 1 38 ? -22.168 3.444 -18.291 1.0 32.13 ? 38 A 1 -ATOM 565 C CG . LYS A1 1 38 ? -21.459 3.249 -16.962 1.0 11.13 ? 38 A 1 -ATOM 566 C CD . LYS A1 1 38 ? -20.009 2.838 -17.158 1.0 55.11 ? 38 A 1 -ATOM 567 C CE . LYS A1 1 38 ? -19.878 1.336 -17.359 1.0 12.13 ? 38 A 1 -ATOM 568 N NZ . LYS A1 1 38 ? -19.34 0.66 -16.146 1.0 62.42 ? 38 A 1 -ATOM 569 H H . LYS A1 1 38 ? -21.466 2.179 -20.372 1.0 40.1 ? 38 A 1 -ATOM 570 H HA . LYS A1 1 38 ? -22.779 1.405 -18.058 1.0 13.43 ? 38 A 1 -ATOM 571 H HB2 . LYS A1 1 38 ? -21.436 3.748 -19.024 1.0 53.44 ? 38 A 1 -ATOM 572 H HB3 . LYS A1 1 38 ? -22.897 4.233 -18.173 1.0 74.35 ? 38 A 1 -ATOM 573 H HG2 . LYS A1 1 38 ? -21.487 4.177 -16.409 1.0 72.35 ? 38 A 1 -ATOM 574 H HG3 . LYS A1 1 38 ? -21.97 2.479 -16.401 1.0 65.33 ? 38 A 1 -ATOM 575 H HD2 . LYS A1 1 38 ? -19.616 3.342 -18.029 1.0 31.44 ? 38 A 1 -ATOM 576 H HD3 . LYS A1 1 38 ? -19.441 3.127 -16.285 1.0 51.13 ? 38 A 1 -ATOM 577 H HE2 . LYS A1 1 38 ? -20.852 0.93 -17.584 1.0 72.24 ? 38 A 1 -ATOM 578 H HE3 . LYS A1 1 38 ? -19.211 1.154 -18.188 1.0 52.14 ? 38 A 1 -ATOM 579 H HZ1 . LYS A1 1 38 ? -19.073 -0.32 -16.372 1.0 12.21 ? 38 A 1 -ATOM 580 H HZ2 . LYS A1 1 38 ? -20.059 0.648 -15.395 1.0 31.3 ? 38 A 1 -ATOM 581 H HZ3 . LYS A1 1 38 ? -18.5 1.165 -15.798 1.0 72.13 ? 38 A 1 -ATOM 582 N N . GLU A1 1 39 ? -24.674 3.181 -20.09 1.0 74.33 ? 39 A 1 -ATOM 583 C CA . GLU A1 1 39 ? -26.056 3.525 -20.405 1.0 31.43 ? 39 A 1 -ATOM 584 C C . GLU A1 1 39 ? -26.508 2.838 -21.69 1.0 55.55 ? 39 A 1 -ATOM 585 O O . GLU A1 1 39 ? -27.529 2.151 -21.714 1.0 44.25 ? 39 A 1 -ATOM 586 C CB . GLU A1 1 39 ? -26.209 5.041 -20.542 1.0 31.12 ? 39 A 1 -ATOM 587 C CG . GLU A1 1 39 ? -25.077 5.7 -21.312 1.0 22.34 ? 39 A 1 -ATOM 588 C CD . GLU A1 1 39 ? -25.113 7.213 -21.222 1.0 34.02 ? 39 A 1 -ATOM 589 O OE1 . GLU A1 1 39 ? -26.157 7.804 -21.57 1.0 60.52 ? 39 A 1 -ATOM 590 O OE2 . GLU A1 1 39 ? -24.098 7.807 -20.803 1.0 24.54 ? 39 A 1 -ATOM 591 H H . GLU A1 1 39 ? -23.959 3.475 -20.692 1.0 53.12 ? 39 A 1 -ATOM 592 H HA . GLU A1 1 39 ? -26.677 3.182 -19.591 1.0 24.23 ? 39 A 1 -ATOM 593 H HB2 . GLU A1 1 39 ? -27.136 5.252 -21.054 1.0 13.32 ? 39 A 1 -ATOM 594 H HB3 . GLU A1 1 39 ? -26.246 5.477 -19.554 1.0 53.15 ? 39 A 1 -ATOM 595 H HG2 . GLU A1 1 39 ? -24.136 5.354 -20.91 1.0 73.51 ? 39 A 1 -ATOM 596 H HG3 . GLU A1 1 39 ? -25.15 5.413 -22.35 1.0 55.55 ? 39 A 1 -ATOM 597 N N . GLY A1 1 40 ? -25.741 3.031 -22.759 1.0 41.31 ? 40 A 1 -ATOM 598 C CA . GLY A1 1 40 ? -26.079 2.426 -24.034 1.0 23.2 ? 40 A 1 -ATOM 599 C C . GLY A1 1 40 ? -26.15 3.441 -25.157 1.0 54.31 ? 40 A 1 -ATOM 600 O O . GLY A1 1 40 ? -27.115 3.463 -25.922 1.0 62.35 ? 40 A 1 -ATOM 601 H H . GLY A1 1 40 ? -24.939 3.589 -22.681 1.0 1.31 ? 40 A 1 -ATOM 602 H HA2 . GLY A1 1 40 ? -25.331 1.686 -24.278 1.0 42.33 ? 40 A 1 -ATOM 603 H HA3 . GLY A1 1 40 ? -27.038 1.937 -23.944 1.0 42.25 ? 40 A 1 -ATOM 604 N N . ILE A1 1 41 ? -25.129 4.285 -25.256 1.0 11.45 ? 41 A 1 -ATOM 605 C CA . ILE A1 1 41 ? -25.081 5.308 -26.293 1.0 13.21 ? 41 A 1 -ATOM 606 C C . ILE A1 1 41 ? -23.88 5.105 -27.21 1.0 73.14 ? 41 A 1 -ATOM 607 O O . ILE A1 1 41 ? -22.854 4.549 -26.817 1.0 54.03 ? 41 A 1 -ATOM 608 C CB . ILE A1 1 41 ? -25.016 6.722 -25.687 1.0 13.54 ? 41 A 1 -ATOM 609 C CG1 . ILE A1 1 41 ? -23.749 6.882 -24.844 1.0 35.25 ? 41 A 1 -ATOM 610 C CG2 . ILE A1 1 41 ? -26.255 6.996 -24.848 1.0 15.54 ? 41 A 1 -ATOM 611 C CD1 . ILE A1 1 41 ? -22.569 7.419 -25.622 1.0 51.21 ? 41 A 1 -ATOM 612 H H . ILE A1 1 41 ? -24.39 4.218 -24.616 1.0 10.31 ? 41 A 1 -ATOM 613 H HA . ILE A1 1 41 ? -25.986 5.231 -26.879 1.0 22.4 ? 41 A 1 -ATOM 614 H HB . ILE A1 1 41 ? -24.994 7.436 -26.496 1.0 2.22 ? 41 A 1 -ATOM 615 H HG12 . ILE A1 1 41 ? -23.948 7.563 -24.031 1.0 53.25 ? 41 A 1 -ATOM 616 H HG13 . ILE A1 1 41 ? -23.471 5.919 -24.44 1.0 73.21 ? 41 A 1 -ATOM 617 H HG21 . ILE A1 1 41 ? -26.476 6.132 -24.238 1.0 41.34 ? 41 A 1 -ATOM 618 H HG22 . ILE A1 1 41 ? -26.076 7.849 -24.21 1.0 35.01 ? 41 A 1 -ATOM 619 H HG23 . ILE A1 1 41 ? -27.093 7.202 -25.498 1.0 24.24 ? 41 A 1 -ATOM 620 H HD11 . ILE A1 1 41 ? -21.852 6.626 -25.782 1.0 13.35 ? 41 A 1 -ATOM 621 H HD12 . ILE A1 1 41 ? -22.908 7.794 -26.577 1.0 5.02 ? 41 A 1 -ATOM 622 H HD13 . ILE A1 1 41 ? -22.103 8.218 -25.065 1.0 73.01 ? 41 A 1 -ATOM 623 N N . PRO A1 1 42 ? -24.008 5.567 -28.463 1.0 42.01 ? 42 A 1 -ATOM 624 C CA . PRO A1 1 42 ? -22.942 5.45 -29.462 1.0 63.34 ? 42 A 1 -ATOM 625 C C . PRO A1 1 42 ? -21.751 6.348 -29.148 1.0 4.23 ? 42 A 1 -ATOM 626 O O . PRO A1 1 42 ? -21.857 7.575 -29.123 1.0 21.54 ? 42 A 1 -ATOM 627 C CB . PRO A1 1 42 ? -23.621 5.897 -30.759 1.0 63.45 ? 42 A 1 -ATOM 628 C CG . PRO A1 1 42 ? -24.73 6.788 -30.319 1.0 31.23 ? 42 A 1 -ATOM 629 C CD . PRO A1 1 42 ? -25.202 6.24 -29.0 1.0 52.22 ? 42 A 1 -ATOM 630 H HA . PRO A1 1 42 ? -22.604 4.429 -29.564 1.0 60.32 ? 42 A 1 -ATOM 631 H HB2 . PRO A1 1 42 ? -22.909 6.426 -31.377 1.0 50.23 ? 42 A 1 -ATOM 632 H HB3 . PRO A1 1 42 ? -23.995 5.034 -31.29 1.0 64.01 ? 42 A 1 -ATOM 633 H HG2 . PRO A1 1 42 ? -24.365 7.796 -30.197 1.0 0.11 ? 42 A 1 -ATOM 634 H HG3 . PRO A1 1 42 ? -25.531 6.762 -31.043 1.0 1.1 ? 42 A 1 -ATOM 635 H HD2 . PRO A1 1 42 ? -25.518 7.042 -28.35 1.0 11.32 ? 42 A 1 -ATOM 636 H HD3 . PRO A1 1 42 ? -26.006 5.535 -29.151 1.0 34.03 ? 42 A 1 -ATOM 637 N N . PRO A1 1 43 ? -20.588 5.726 -28.902 1.0 1.41 ? 43 A 1 -ATOM 638 C CA . PRO A1 1 43 ? -19.354 6.452 -28.585 1.0 62.53 ? 43 A 1 -ATOM 639 C C . PRO A1 1 43 ? -18.805 7.214 -29.787 1.0 21.35 ? 43 A 1 -ATOM 640 O O . PRO A1 1 43 ? -18.131 8.233 -29.632 1.0 73.42 ? 43 A 1 -ATOM 641 C CB . PRO A1 1 43 ? -18.386 5.341 -28.169 1.0 74.43 ? 43 A 1 -ATOM 642 C CG . PRO A1 1 43 ? -18.893 4.12 -28.857 1.0 42.11 ? 43 A 1 -ATOM 643 C CD . PRO A1 1 43 ? -20.388 4.268 -28.915 1.0 32.53 ? 43 A 1 -ATOM 644 H HA . PRO A1 1 43 ? -19.496 7.135 -27.761 1.0 3.1 ? 43 A 1 -ATOM 645 H HB2 . PRO A1 1 43 ? -17.386 5.591 -28.493 1.0 1.2 ? 43 A 1 -ATOM 646 H HB3 . PRO A1 1 43 ? -18.405 5.225 -27.096 1.0 52.2 ? 43 A 1 -ATOM 647 H HG2 . PRO A1 1 43 ? -18.483 4.064 -29.854 1.0 21.5 ? 43 A 1 -ATOM 648 H HG3 . PRO A1 1 43 ? -18.625 3.241 -28.289 1.0 41.32 ? 43 A 1 -ATOM 649 H HD2 . PRO A1 1 43 ? -20.775 3.833 -29.824 1.0 55.24 ? 43 A 1 -ATOM 650 H HD3 . PRO A1 1 43 ? -20.846 3.809 -28.051 1.0 31.14 ? 43 A 1 -ATOM 651 N N . ASP A1 1 44 ? -19.097 6.714 -30.982 1.0 54.12 ? 44 A 1 -ATOM 652 C CA . ASP A1 1 44 ? -18.634 7.349 -32.21 1.0 51.34 ? 44 A 1 -ATOM 653 C C . ASP A1 1 44 ? -19.502 8.555 -32.559 1.0 65.34 ? 44 A 1 -ATOM 654 O O . ASP A1 1 44 ? -19.12 9.388 -33.38 1.0 41.23 ? 44 A 1 -ATOM 655 C CB . ASP A1 1 44 ? -18.646 6.346 -33.365 1.0 23.35 ? 44 A 1 -ATOM 656 C CG . ASP A1 1 44 ? -17.858 6.834 -34.564 1.0 52.14 ? 44 A 1 -ATOM 657 O OD1 . ASP A1 1 44 ? -16.719 7.31 -34.373 1.0 70.43 ? 44 A 1 -ATOM 658 O OD2 . ASP A1 1 44 ? -18.38 6.74 -35.695 1.0 15.14 ? 44 A 1 -ATOM 659 H H . ASP A1 1 44 ? -19.639 5.899 -31.04 1.0 64.31 ? 44 A 1 -ATOM 660 H HA . ASP A1 1 44 ? -17.621 7.686 -32.048 1.0 72.42 ? 44 A 1 -ATOM 661 H HB2 . ASP A1 1 44 ? -18.213 5.415 -33.028 1.0 64.21 ? 44 A 1 -ATOM 662 H HB3 . ASP A1 1 44 ? -19.666 6.173 -33.672 1.0 74.33 ? 44 A 1 -ATOM 663 N N . GLN A1 1 45 ? -20.67 8.639 -31.931 1.0 24.51 ? 45 A 1 -ATOM 664 C CA . GLN A1 1 45 ? -21.591 9.741 -32.177 1.0 55.1 ? 45 A 1 -ATOM 665 C C . GLN A1 1 45 ? -21.511 10.778 -31.061 1.0 65.33 ? 45 A 1 -ATOM 666 O O . GLN A1 1 45 ? -22.036 11.883 -31.19 1.0 0.12 ? 45 A 1 -ATOM 667 C CB . GLN A1 1 45 ? -23.024 9.218 -32.301 1.0 3.33 ? 45 A 1 -ATOM 668 C CG . GLN A1 1 45 ? -23.396 8.792 -33.711 1.0 71.05 ? 45 A 1 -ATOM 669 C CD . GLN A1 1 45 ? -24.4 7.656 -33.732 1.0 50.21 ? 45 A 1 -ATOM 670 O OE1 . GLN A1 1 45 ? -25.529 7.802 -33.263 1.0 30.33 ? 45 A 1 -ATOM 671 N NE2 . GLN A1 1 45 ? -23.993 6.516 -34.278 1.0 54.11 ? 45 A 1 -ATOM 672 H H . GLN A1 1 45 ? -20.917 7.943 -31.288 1.0 33.14 ? 45 A 1 -ATOM 673 H HA . GLN A1 1 45 ? -21.307 10.209 -33.107 1.0 54.13 ? 45 A 1 -ATOM 674 H HB2 . GLN A1 1 45 ? -23.141 8.367 -31.647 1.0 72.22 ? 45 A 1 -ATOM 675 H HB3 . GLN A1 1 45 ? -23.706 9.996 -31.991 1.0 51.24 ? 45 A 1 -ATOM 676 H HG2 . GLN A1 1 45 ? -23.823 9.638 -34.229 1.0 11.31 ? 45 A 1 -ATOM 677 H HG3 . GLN A1 1 45 ? -22.501 8.472 -34.225 1.0 33.23 ? 45 A 1 -ATOM 678 H HE21 . GLN A1 1 45 ? -23.079 6.473 -34.631 1.0 35.4 ? 45 A 1 -ATOM 679 H HE22 . GLN A1 1 45 ? -24.621 5.765 -34.304 1.0 53.4 ? 45 A 1 -ATOM 680 N N . GLN A1 1 46 ? -20.85 10.412 -29.968 1.0 5.34 ? 46 A 1 -ATOM 681 C CA . GLN A1 1 46 ? -20.701 11.311 -28.829 1.0 54.21 ? 46 A 1 -ATOM 682 C C . GLN A1 1 46 ? -19.3 11.911 -28.788 1.0 23.33 ? 46 A 1 -ATOM 683 O O . GLN A1 1 46 ? -18.343 11.311 -29.278 1.0 42.0 ? 46 A 1 -ATOM 684 C CB . GLN A1 1 46 ? -20.989 10.567 -27.524 1.0 54.1 ? 46 A 1 -ATOM 685 C CG . GLN A1 1 46 ? -19.947 9.516 -27.18 1.0 63.33 ? 46 A 1 -ATOM 686 C CD . GLN A1 1 46 ? -19.004 9.966 -26.081 1.0 73.34 ? 46 A 1 -ATOM 687 O OE1 . GLN A1 1 46 ? -18.04 10.689 -26.332 1.0 62.34 ? 46 A 1 -ATOM 688 N NE2 . GLN A1 1 46 ? -19.279 9.539 -24.854 1.0 52.51 ? 46 A 1 -ATOM 689 H H . GLN A1 1 46 ? -20.453 9.518 -29.925 1.0 61.13 ? 46 A 1 -ATOM 690 H HA . GLN A1 1 46 ? -21.418 12.11 -28.943 1.0 1.54 ? 46 A 1 -ATOM 691 H HB2 . GLN A1 1 46 ? -21.028 11.283 -26.716 1.0 70.34 ? 46 A 1 -ATOM 692 H HB3 . GLN A1 1 46 ? -21.949 10.078 -27.607 1.0 24.41 ? 46 A 1 -ATOM 693 H HG2 . GLN A1 1 46 ? -20.452 8.619 -26.854 1.0 71.34 ? 46 A 1 -ATOM 694 H HG3 . GLN A1 1 46 ? -19.367 9.299 -28.066 1.0 12.44 ? 46 A 1 -ATOM 695 H HE21 . GLN A1 1 46 ? -20.064 8.965 -24.729 1.0 61.21 ? 46 A 1 -ATOM 696 H HE22 . GLN A1 1 46 ? -18.686 9.814 -24.125 1.0 54.41 ? 46 A 1 -ATOM 697 N N . ARG A1 1 47 ? -19.186 13.097 -28.2 1.0 11.31 ? 47 A 1 -ATOM 698 C CA . ARG A1 1 47 ? -17.901 13.779 -28.096 1.0 74.42 ? 47 A 1 -ATOM 699 C C . ARG A1 1 47 ? -17.752 14.453 -26.736 1.0 0.05 ? 47 A 1 -ATOM 700 O O . ARG A1 1 47 ? -18.741 14.723 -26.052 1.0 62.43 ? 47 A 1 -ATOM 701 C CB . ARG A1 1 47 ? -17.759 14.817 -29.21 1.0 53.24 ? 47 A 1 -ATOM 702 C CG . ARG A1 1 47 ? -17.216 14.246 -30.51 1.0 25.13 ? 47 A 1 -ATOM 703 C CD . ARG A1 1 47 ? -18.33 13.969 -31.506 1.0 74.31 ? 47 A 1 -ATOM 704 N NE . ARG A1 1 47 ? -17.828 13.861 -32.873 1.0 72.02 ? 47 A 1 -ATOM 705 C CZ . ARG A1 1 47 ? -18.615 13.767 -33.94 1.0 4.33 ? 47 A 1 -ATOM 706 N NH1 . ARG A1 1 47 ? -19.933 13.769 -33.798 1.0 22.33 ? 47 A 1 -ATOM 707 N NH2 . ARG A1 1 47 ? -18.083 13.673 -35.152 1.0 24.44 ? 47 A 1 -ATOM 708 H H . ARG A1 1 47 ? -19.985 13.525 -27.828 1.0 14.32 ? 47 A 1 -ATOM 709 H HA . ARG A1 1 47 ? -17.123 13.038 -28.205 1.0 52.1 ? 47 A 1 -ATOM 710 H HB2 . ARG A1 1 47 ? -18.729 15.248 -29.411 1.0 12.43 ? 47 A 1 -ATOM 711 H HB3 . ARG A1 1 47 ? -17.09 15.596 -28.877 1.0 31.22 ? 47 A 1 -ATOM 712 H HG2 . ARG A1 1 47 ? -16.528 14.956 -30.945 1.0 2.15 ? 47 A 1 -ATOM 713 H HG3 . ARG A1 1 47 ? -16.697 13.323 -30.297 1.0 3.22 ? 47 A 1 -ATOM 714 H HD2 . ARG A1 1 47 ? -18.814 13.042 -31.236 1.0 62.34 ? 47 A 1 -ATOM 715 H HD3 . ARG A1 1 47 ? -19.047 14.775 -31.458 1.0 4.32 ? 47 A 1 -ATOM 716 H HE . ARG A1 1 47 ? -16.857 13.858 -33.001 1.0 51.12 ? 47 A 1 -ATOM 717 H HH11 . ARG A1 1 47 ? -20.336 13.841 -32.886 1.0 35.02 ? 47 A 1 -ATOM 718 H HH12 . ARG A1 1 47 ? -20.523 13.699 -34.602 1.0 42.25 ? 47 A 1 -ATOM 719 H HH21 . ARG A1 1 47 ? -17.089 13.672 -35.263 1.0 32.54 ? 47 A 1 -ATOM 720 H HH22 . ARG A1 1 47 ? -18.675 13.602 -35.953 1.0 51.04 ? 47 A 1 -ATOM 721 N N . LEU A1 1 48 ? -16.51 14.722 -26.348 1.0 13.42 ? 48 A 1 -ATOM 722 C CA . LEU A1 1 48 ? -16.231 15.365 -25.068 1.0 63.04 ? 48 A 1 -ATOM 723 C C . LEU A1 1 48 ? -15.831 16.824 -25.267 1.0 70.54 ? 48 A 1 -ATOM 724 O O . LEU A1 1 48 ? -15.192 17.172 -26.261 1.0 13.22 ? 48 A 1 -ATOM 725 C CB . LEU A1 1 48 ? -15.119 14.616 -24.331 1.0 73.22 ? 48 A 1 -ATOM 726 C CG . LEU A1 1 48 ? -15.103 13.097 -24.507 1.0 23.01 ? 48 A 1 -ATOM 727 C CD1 . LEU A1 1 48 ? -16.517 12.539 -24.464 1.0 2.23 ? 48 A 1 -ATOM 728 C CD2 . LEU A1 1 48 ? -14.418 12.719 -25.812 1.0 62.5 ? 48 A 1 -ATOM 729 H H . LEU A1 1 48 ? -15.763 14.484 -26.935 1.0 13.1 ? 48 A 1 -ATOM 730 H HA . LEU A1 1 48 ? -17.133 15.329 -24.476 1.0 5.14 ? 48 A 1 -ATOM 731 H HB2 . LEU A1 1 48 ? -14.173 14.999 -24.682 1.0 14.35 ? 48 A 1 -ATOM 732 H HB3 . LEU A1 1 48 ? -15.223 14.827 -23.276 1.0 62.22 ? 48 A 1 -ATOM 733 H HG . LEU A1 1 48 ? -14.544 12.653 -23.694 1.0 74.12 ? 48 A 1 -ATOM 734 H HD11 . LEU A1 1 48 ? -16.909 12.475 -25.467 1.0 72.12 ? 48 A 1 -ATOM 735 H HD12 . LEU A1 1 48 ? -17.143 13.191 -23.873 1.0 51.52 ? 48 A 1 -ATOM 736 H HD13 . LEU A1 1 48 ? -16.502 11.555 -24.018 1.0 50.13 ? 48 A 1 -ATOM 737 H HD21 . LEU A1 1 48 ? -13.722 13.496 -26.092 1.0 32.51 ? 48 A 1 -ATOM 738 H HD22 . LEU A1 1 48 ? -15.161 12.603 -26.588 1.0 4.35 ? 48 A 1 -ATOM 739 H HD23 . LEU A1 1 48 ? -13.886 11.787 -25.682 1.0 44.23 ? 48 A 1 -ATOM 740 N N . ILE A1 1 49 ? -16.209 17.67 -24.316 1.0 13.31 ? 49 A 1 -ATOM 741 C CA . ILE A1 1 49 ? -15.887 19.09 -24.386 1.0 13.25 ? 49 A 1 -ATOM 742 C C . ILE A1 1 49 ? -15.495 19.633 -23.015 1.0 73.24 ? 49 A 1 -ATOM 743 O O . ILE A1 1 49 ? -16.186 19.401 -22.023 1.0 20.41 ? 49 A 1 -ATOM 744 C CB . ILE A1 1 49 ? -17.072 19.91 -24.93 1.0 42.12 ? 49 A 1 -ATOM 745 C CG1 . ILE A1 1 49 ? -16.976 20.037 -26.452 1.0 21.4 ? 49 A 1 -ATOM 746 C CG2 . ILE A1 1 49 ? -17.108 21.285 -24.28 1.0 44.11 ? 49 A 1 -ATOM 747 C CD1 . ILE A1 1 49 ? -18.167 19.458 -27.183 1.0 30.32 ? 49 A 1 -ATOM 748 H H . ILE A1 1 49 ? -16.716 17.332 -23.549 1.0 11.12 ? 49 A 1 -ATOM 749 H HA . ILE A1 1 49 ? -15.052 19.21 -25.061 1.0 31.54 ? 49 A 1 -ATOM 750 H HB . ILE A1 1 49 ? -17.985 19.394 -24.676 1.0 10.22 ? 49 A 1 -ATOM 751 H HG12 . ILE A1 1 49 ? -16.9 21.079 -26.716 1.0 52.53 ? 49 A 1 -ATOM 752 H HG13 . ILE A1 1 49 ? -16.092 19.518 -26.794 1.0 23.14 ? 49 A 1 -ATOM 753 H HG21 . ILE A1 1 49 ? -17.468 21.194 -23.266 1.0 54.41 ? 49 A 1 -ATOM 754 H HG22 . ILE A1 1 49 ? -16.113 21.704 -24.271 1.0 2.4 ? 49 A 1 -ATOM 755 H HG23 . ILE A1 1 49 ? -17.766 21.931 -24.84 1.0 53.42 ? 49 A 1 -ATOM 756 H HD11 . ILE A1 1 49 ? -17.994 19.506 -28.248 1.0 43.14 ? 49 A 1 -ATOM 757 H HD12 . ILE A1 1 49 ? -18.305 18.428 -26.888 1.0 61.33 ? 49 A 1 -ATOM 758 H HD13 . ILE A1 1 49 ? -19.052 20.025 -26.937 1.0 3.14 ? 49 A 1 -ATOM 759 N N . PHE A1 1 50 ? -14.383 20.358 -22.969 1.0 0.44 ? 50 A 1 -ATOM 760 C CA . PHE A1 1 50 ? -13.899 20.936 -21.72 1.0 63.4 ? 50 A 1 -ATOM 761 C C . PHE A1 1 50 ? -13.618 22.427 -21.883 1.0 34.31 ? 50 A 1 -ATOM 762 O O . PHE A1 1 50 ? -12.673 22.821 -22.564 1.0 24.03 ? 50 A 1 -ATOM 763 C CB . PHE A1 1 50 ? -12.631 20.214 -21.258 1.0 1.31 ? 50 A 1 -ATOM 764 C CG . PHE A1 1 50 ? -12.262 20.506 -19.831 1.0 63.44 ? 50 A 1 -ATOM 765 C CD1 . PHE A1 1 50 ? -11.525 21.634 -19.509 1.0 63.22 ? 50 A 1 -ATOM 766 C CD2 . PHE A1 1 50 ? -12.651 19.651 -18.813 1.0 31.12 ? 50 A 1 -ATOM 767 C CE1 . PHE A1 1 50 ? -11.184 21.905 -18.197 1.0 44.05 ? 50 A 1 -ATOM 768 C CE2 . PHE A1 1 50 ? -12.313 19.917 -17.499 1.0 53.14 ? 50 A 1 -ATOM 769 C CZ . PHE A1 1 50 ? -11.578 21.045 -17.191 1.0 64.24 ? 50 A 1 -ATOM 770 H H . PHE A1 1 50 ? -13.875 20.509 -23.794 1.0 32.43 ? 50 A 1 -ATOM 771 H HA . PHE A1 1 50 ? -14.668 20.805 -20.975 1.0 55.42 ? 50 A 1 -ATOM 772 H HB2 . PHE A1 1 50 ? -12.777 19.149 -21.351 1.0 72.21 ? 50 A 1 -ATOM 773 H HB3 . PHE A1 1 50 ? -11.805 20.516 -21.884 1.0 52.42 ? 50 A 1 -ATOM 774 H HD1 . PHE A1 1 50 ? -11.216 22.308 -20.296 1.0 64.41 ? 50 A 1 -ATOM 775 H HD2 . PHE A1 1 50 ? -13.226 18.768 -19.052 1.0 25.0 ? 50 A 1 -ATOM 776 H HE1 . PHE A1 1 50 ? -10.608 22.788 -17.961 1.0 33.34 ? 50 A 1 -ATOM 777 H HE2 . PHE A1 1 50 ? -12.622 19.243 -16.715 1.0 34.14 ? 50 A 1 -ATOM 778 H HZ . PHE A1 1 50 ? -11.313 21.255 -16.166 1.0 42.2 ? 50 A 1 -ATOM 779 N N . GLY A1 1 51 ? -14.449 23.251 -21.252 1.0 53.44 ? 51 A 1 -ATOM 780 C CA . GLY A1 1 51 ? -14.275 24.69 -21.34 1.0 33.5 ? 51 A 1 -ATOM 781 C C . GLY A1 1 51 ? -14.662 25.239 -22.699 1.0 34.32 ? 51 A 1 -ATOM 782 O O . GLY A1 1 51 ? -14.58 26.443 -22.936 1.0 0.02 ? 51 A 1 -ATOM 783 H H . GLY A1 1 51 ? -15.186 22.88 -20.724 1.0 14.34 ? 51 A 1 -ATOM 784 H HA2 . GLY A1 1 51 ? -14.886 25.162 -20.585 1.0 71.3 ? 51 A 1 -ATOM 785 H HA3 . GLY A1 1 51 ? -13.239 24.927 -21.151 1.0 2.33 ? 51 A 1 -ATOM 786 N N . GLY A1 1 52 ? -15.085 24.352 -23.595 1.0 51.33 ? 52 A 1 -ATOM 787 C CA . GLY A1 1 52 ? -15.478 24.774 -24.927 1.0 70.11 ? 52 A 1 -ATOM 788 C C . GLY A1 1 52 ? -14.75 24.011 -26.015 1.0 64.35 ? 52 A 1 -ATOM 789 O O . GLY A1 1 52 ? -15.261 23.856 -27.125 1.0 21.12 ? 52 A 1 -ATOM 790 H H . GLY A1 1 52 ? -15.13 23.404 -23.35 1.0 52.33 ? 52 A 1 -ATOM 791 H HA2 . GLY A1 1 52 ? -16.54 24.62 -25.043 1.0 34.31 ? 52 A 1 -ATOM 792 H HA3 . GLY A1 1 52 ? -15.263 25.827 -25.037 1.0 33.12 ? 52 A 1 -ATOM 793 N N . LYS A1 1 53 ? -13.551 23.533 -25.7 1.0 4.12 ? 53 A 1 -ATOM 794 C CA . LYS A1 1 53 ? -12.749 22.782 -26.659 1.0 20.15 ? 53 A 1 -ATOM 795 C C . LYS A1 1 53 ? -12.996 21.283 -26.519 1.0 12.34 ? 53 A 1 -ATOM 796 O O . LYS A1 1 53 ? -13.229 20.784 -25.418 1.0 53.3 ? 53 A 1 -ATOM 797 C CB . LYS A1 1 53 ? -11.262 23.085 -26.46 1.0 12.13 ? 53 A 1 -ATOM 798 C CG . LYS A1 1 53 ? -10.764 22.793 -25.055 1.0 34.42 ? 53 A 1 -ATOM 799 C CD . LYS A1 1 53 ? -10.214 21.381 -24.941 1.0 44.0 ? 53 A 1 -ATOM 800 C CE . LYS A1 1 53 ? -8.987 21.189 -25.82 1.0 75.53 ? 53 A 1 -ATOM 801 N NZ . LYS A1 1 53 ? -7.89 20.49 -25.096 1.0 61.53 ? 53 A 1 -ATOM 802 H H . LYS A1 1 53 ? -13.196 23.689 -24.799 1.0 32.12 ? 53 A 1 -ATOM 803 H HA . LYS A1 1 53 ? -13.041 23.092 -27.65 1.0 74.23 ? 53 A 1 -ATOM 804 H HB2 . LYS A1 1 53 ? -10.689 22.488 -27.154 1.0 34.02 ? 53 A 1 -ATOM 805 H HB3 . LYS A1 1 53 ? -11.089 24.131 -26.67 1.0 32.22 ? 53 A 1 -ATOM 806 H HG2 . LYS A1 1 53 ? -9.982 23.494 -24.807 1.0 24.24 ? 53 A 1 -ATOM 807 H HG3 . LYS A1 1 53 ? -11.585 22.906 -24.361 1.0 53.0 ? 53 A 1 -ATOM 808 H HD2 . LYS A1 1 53 ? -9.939 21.193 -23.914 1.0 22.42 ? 53 A 1 -ATOM 809 H HD3 . LYS A1 1 53 ? -10.978 20.68 -25.246 1.0 0.05 ? 53 A 1 -ATOM 810 H HE2 . LYS A1 1 53 ? -9.268 20.604 -26.683 1.0 25.2 ? 53 A 1 -ATOM 811 H HE3 . LYS A1 1 53 ? -8.635 22.158 -26.141 1.0 75.24 ? 53 A 1 -ATOM 812 H HZ1 . LYS A1 1 53 ? -6.99 20.989 -25.243 1.0 1.33 ? 53 A 1 -ATOM 813 H HZ2 . LYS A1 1 53 ? -7.794 19.515 -25.448 1.0 14.14 ? 53 A 1 -ATOM 814 H HZ3 . LYS A1 1 53 ? -8.096 20.46 -24.078 1.0 31.25 ? 53 A 1 -ATOM 815 N N . GLN A1 1 54 ? -12.942 20.572 -27.64 1.0 32.1 ? 54 A 1 -ATOM 816 C CA . GLN A1 1 54 ? -13.16 19.13 -27.641 1.0 3.14 ? 54 A 1 -ATOM 817 C C . GLN A1 1 54 ? -11.927 18.393 -27.126 1.0 14.5 ? 54 A 1 -ATOM 818 O O . GLN A1 1 54 ? -10.818 18.928 -27.147 1.0 22.04 ? 54 A 1 -ATOM 819 C CB . GLN A1 1 54 ? -13.506 18.646 -29.05 1.0 14.03 ? 54 A 1 -ATOM 820 C CG . GLN A1 1 54 ? -14.917 18.093 -29.173 1.0 52.41 ? 54 A 1 -ATOM 821 C CD . GLN A1 1 54 ? -15.451 18.166 -30.59 1.0 44.23 ? 54 A 1 -ATOM 822 O OE1 . GLN A1 1 54 ? -15.44 17.176 -31.322 1.0 25.33 ? 54 A 1 -ATOM 823 N NE2 . GLN A1 1 54 ? -15.922 19.343 -30.986 1.0 63.1 ? 54 A 1 -ATOM 824 H H . GLN A1 1 54 ? -12.752 21.027 -28.486 1.0 52.11 ? 54 A 1 -ATOM 825 H HA . GLN A1 1 54 ? -13.99 18.92 -26.983 1.0 62.04 ? 54 A 1 -ATOM 826 H HB2 . GLN A1 1 54 ? -13.405 19.473 -29.737 1.0 31.24 ? 54 A 1 -ATOM 827 H HB3 . GLN A1 1 54 ? -12.813 17.868 -29.331 1.0 25.42 ? 54 A 1 -ATOM 828 H HG2 . GLN A1 1 54 ? -14.914 17.06 -28.859 1.0 52.11 ? 54 A 1 -ATOM 829 H HG3 . GLN A1 1 54 ? -15.57 18.662 -28.528 1.0 53.52 ? 54 A 1 -ATOM 830 H HE21 . GLN A1 1 54 ? -15.898 20.088 -30.349 1.0 45.55 ? 54 A 1 -ATOM 831 H HE22 . GLN A1 1 54 ? -16.272 19.419 -31.897 1.0 62.42 ? 54 A 1 -ATOM 832 N N . LEU A1 1 55 ? -12.129 17.164 -26.664 1.0 51.34 ? 55 A 1 -ATOM 833 C CA . LEU A1 1 55 ? -11.034 16.353 -26.143 1.0 40.45 ? 55 A 1 -ATOM 834 C C . LEU A1 1 55 ? -10.706 15.207 -27.094 1.0 63.5 ? 55 A 1 -ATOM 835 O O . LEU A1 1 55 ? -11.58 14.422 -27.46 1.0 52.11 ? 55 A 1 -ATOM 836 C CB . LEU A1 1 55 ? -11.395 15.8 -24.764 1.0 25.03 ? 55 A 1 -ATOM 837 C CG . LEU A1 1 55 ? -11.813 16.831 -23.715 1.0 41.33 ? 55 A 1 -ATOM 838 C CD1 . LEU A1 1 55 ? -11.987 16.171 -22.357 1.0 33.24 ? 55 A 1 -ATOM 839 C CD2 . LEU A1 1 55 ? -10.791 17.956 -23.636 1.0 52.23 ? 55 A 1 -ATOM 840 H H . LEU A1 1 55 ? -13.035 16.792 -26.674 1.0 12.34 ? 55 A 1 -ATOM 841 H HA . LEU A1 1 55 ? -10.166 16.989 -26.052 1.0 22.21 ? 55 A 1 -ATOM 842 H HB2 . LEU A1 1 55 ? -12.211 15.106 -24.889 1.0 55.1 ? 55 A 1 -ATOM 843 H HB3 . LEU A1 1 55 ? -10.531 15.272 -24.384 1.0 51.11 ? 55 A 1 -ATOM 844 H HG . LEU A1 1 55 ? -12.763 17.261 -24.001 1.0 72.12 ? 55 A 1 -ATOM 845 H HD11 . LEU A1 1 55 ? -11.135 15.541 -22.151 1.0 32.04 ? 55 A 1 -ATOM 846 H HD12 . LEU A1 1 55 ? -12.886 15.571 -22.36 1.0 44.35 ? 55 A 1 -ATOM 847 H HD13 . LEU A1 1 55 ? -12.066 16.932 -21.594 1.0 32.21 ? 55 A 1 -ATOM 848 H HD21 . LEU A1 1 55 ? -11.191 18.84 -24.111 1.0 33.14 ? 55 A 1 -ATOM 849 H HD22 . LEU A1 1 55 ? -9.885 17.655 -24.141 1.0 72.01 ? 55 A 1 -ATOM 850 H HD23 . LEU A1 1 55 ? -10.571 18.171 -22.6 1.0 74.33 ? 55 A 1 -ATOM 851 N N . GLU A1 1 56 ? -9.439 15.115 -27.488 1.0 12.02 ? 56 A 1 -ATOM 852 C CA . GLU A1 1 56 ? -8.996 14.063 -28.395 1.0 31.33 ? 56 A 1 -ATOM 853 C C . GLU A1 1 56 ? -9.123 12.691 -27.739 1.0 62.51 ? 56 A 1 -ATOM 854 O O . GLU A1 1 56 ? -9.651 12.565 -26.634 1.0 51.02 ? 56 A 1 -ATOM 855 C CB . GLU A1 1 56 ? -7.547 14.304 -28.822 1.0 62.01 ? 56 A 1 -ATOM 856 C CG . GLU A1 1 56 ? -7.281 15.722 -29.299 1.0 21.02 ? 56 A 1 -ATOM 857 C CD . GLU A1 1 56 ? -6.596 15.764 -30.651 1.0 1.0 ? 56 A 1 -ATOM 858 O OE1 . GLU A1 1 56 ? -5.755 14.881 -30.918 1.0 61.34 ? 56 A 1 -ATOM 859 O OE2 . GLU A1 1 56 ? -6.902 16.681 -31.442 1.0 22.01 ? 56 A 1 -ATOM 860 H H . GLU A1 1 56 ? -8.788 15.771 -27.161 1.0 72.43 ? 56 A 1 -ATOM 861 H HA . GLU A1 1 56 ? -9.629 14.09 -29.269 1.0 4.21 ? 56 A 1 -ATOM 862 H HB2 . GLU A1 1 56 ? -6.898 14.1 -27.983 1.0 41.11 ? 56 A 1 -ATOM 863 H HB3 . GLU A1 1 56 ? -7.304 13.625 -29.626 1.0 51.02 ? 56 A 1 -ATOM 864 H HG2 . GLU A1 1 56 ? -8.222 16.246 -29.373 1.0 71.31 ? 56 A 1 -ATOM 865 H HG3 . GLU A1 1 56 ? -6.65 16.219 -28.576 1.0 60.44 ? 56 A 1 -ATOM 866 N N . ASP A1 1 57 ? -8.635 11.665 -28.428 1.0 71.03 ? 57 A 1 -ATOM 867 C CA . ASP A1 1 57 ? -8.693 10.302 -27.914 1.0 63.41 ? 57 A 1 -ATOM 868 C C . ASP A1 1 57 ? -7.701 10.11 -26.771 1.0 21.4 ? 57 A 1 -ATOM 869 O O . ASP A1 1 57 ? -7.874 9.23 -25.927 1.0 43.31 ? 57 A 1 -ATOM 870 C CB . ASP A1 1 57 ? -8.402 9.299 -29.032 1.0 45.31 ? 57 A 1 -ATOM 871 C CG . ASP A1 1 57 ? -9.234 9.557 -30.272 1.0 55.43 ? 57 A 1 -ATOM 872 O OD1 . ASP A1 1 57 ? -10.478 9.52 -30.169 1.0 72.35 ? 57 A 1 -ATOM 873 O OD2 . ASP A1 1 57 ? -8.642 9.796 -31.346 1.0 15.11 ? 57 A 1 -ATOM 874 H H . ASP A1 1 57 ? -8.226 11.829 -29.304 1.0 23.12 ? 57 A 1 -ATOM 875 H HA . ASP A1 1 57 ? -9.691 10.13 -27.54 1.0 62.14 ? 57 A 1 -ATOM 876 H HB2 . ASP A1 1 57 ? -7.358 9.365 -29.303 1.0 24.44 ? 57 A 1 -ATOM 877 H HB3 . ASP A1 1 57 ? -8.616 8.302 -28.677 1.0 64.03 ? 57 A 1 -ATOM 878 N N . SER A1 1 58 ? -6.661 10.938 -26.751 1.0 32.51 ? 58 A 1 -ATOM 879 C CA . SER A1 1 58 ? -5.639 10.856 -25.714 1.0 62.24 ? 58 A 1 -ATOM 880 C C . SER A1 1 58 ? -5.708 12.065 -24.787 1.0 2.12 ? 58 A 1 -ATOM 881 O O . SER A1 1 58 ? -4.882 12.219 -23.888 1.0 12.21 ? 58 A 1 -ATOM 882 C CB . SER A1 1 58 ? -4.249 10.762 -26.346 1.0 65.11 ? 58 A 1 -ATOM 883 O OG . SER A1 1 58 ? -3.273 10.405 -25.382 1.0 34.21 ? 58 A 1 -ATOM 884 H H . SER A1 1 58 ? -6.579 11.618 -27.452 1.0 21.03 ? 58 A 1 -ATOM 885 H HA . SER A1 1 58 ? -5.823 9.963 -25.137 1.0 33.55 ? 58 A 1 -ATOM 886 H HB2 . SER A1 1 58 ? -4.259 10.014 -27.124 1.0 31.42 ? 58 A 1 -ATOM 887 H HB3 . SER A1 1 58 ? -3.984 11.719 -26.771 1.0 40.4 ? 58 A 1 -ATOM 888 H HG . SER A1 1 58 ? -2.763 9.658 -25.704 1.0 10.23 ? 58 A 1 -ATOM 889 N N . ASN A1 1 59 ? -6.699 12.921 -25.013 1.0 35.41 ? 59 A 1 -ATOM 890 C CA . ASN A1 1 59 ? -6.877 14.117 -24.198 1.0 52.34 ? 59 A 1 -ATOM 891 C C . ASN A1 1 59 ? -7.676 13.803 -22.937 1.0 4.01 ? 59 A 1 -ATOM 892 O O . ASN A1 1 59 ? -8.876 14.066 -22.868 1.0 42.21 ? 59 A 1 -ATOM 893 C CB . ASN A1 1 59 ? -7.585 15.208 -25.005 1.0 21.1 ? 59 A 1 -ATOM 894 C CG . ASN A1 1 59 ? -7.348 16.593 -24.436 1.0 14.54 ? 59 A 1 -ATOM 895 O OD1 . ASN A1 1 59 ? -7.828 16.921 -23.35 1.0 24.42 ? 59 A 1 -ATOM 896 N ND2 . ASN A1 1 59 ? -6.606 17.415 -25.169 1.0 14.44 ? 59 A 1 -ATOM 897 H H . ASN A1 1 59 ? -7.327 12.743 -25.745 1.0 5.51 ? 59 A 1 -ATOM 898 H HA . ASN A1 1 59 ? -5.898 14.472 -23.912 1.0 74.51 ? 59 A 1 -ATOM 899 H HB2 . ASN A1 1 59 ? -7.219 15.19 -26.021 1.0 43.43 ? 59 A 1 -ATOM 900 H HB3 . ASN A1 1 59 ? -8.647 15.015 -25.006 1.0 11.21 ? 59 A 1 -ATOM 901 H HD21 . ASN A1 1 59 ? -6.258 17.087 -26.024 1.0 21.33 ? 59 A 1 -ATOM 902 H HD22 . ASN A1 1 59 ? -6.437 18.317 -24.824 1.0 12.0 ? 59 A 1 -ATOM 903 N N . ALA A1 1 60 ? -7.0 13.239 -21.941 1.0 13.11 ? 60 A 1 -ATOM 904 C CA . ALA A1 1 60 ? -7.645 12.892 -20.681 1.0 35.51 ? 60 A 1 -ATOM 905 C C . ALA A1 1 60 ? -6.623 12.418 -19.653 1.0 74.01 ? 60 A 1 -ATOM 906 O O . ALA A1 1 60 ? -6.203 13.182 -18.784 1.0 74.24 ? 60 A 1 -ATOM 907 C CB . ALA A1 1 60 ? -8.704 11.822 -20.907 1.0 64.13 ? 60 A 1 -ATOM 908 H H . ALA A1 1 60 ? -6.045 13.054 -22.056 1.0 31.12 ? 60 A 1 -ATOM 909 H HA . ALA A1 1 60 ? -8.138 13.776 -20.303 1.0 20.01 ? 60 A 1 -ATOM 910 H HB1 . ALA A1 1 60 ? -8.246 10.955 -21.361 1.0 72.33 ? 60 A 1 -ATOM 911 H HB2 . ALA A1 1 60 ? -9.143 11.544 -19.961 1.0 25.02 ? 60 A 1 -ATOM 912 H HB3 . ALA A1 1 60 ? -9.471 12.208 -21.561 1.0 51.02 ? 60 A 1 -ATOM 913 N N . MET A1 1 61 ? -6.228 11.154 -19.758 1.0 21.52 ? 61 A 1 -ATOM 914 C CA . MET A1 1 61 ? -5.254 10.579 -18.837 1.0 32.03 ? 61 A 1 -ATOM 915 C C . MET A1 1 61 ? -3.851 11.099 -19.134 1.0 55.14 ? 61 A 1 -ATOM 916 O O . MET A1 1 61 ? -3.214 11.717 -18.281 1.0 73.23 ? 61 A 1 -ATOM 917 C CB . MET A1 1 61 ? -5.274 9.052 -18.927 1.0 33.12 ? 61 A 1 -ATOM 918 C CG . MET A1 1 61 ? -6.672 8.469 -19.059 1.0 10.31 ? 61 A 1 -ATOM 919 S SD . MET A1 1 61 ? -7.819 9.13 -17.835 1.0 3.45 ? 61 A 1 -ATOM 920 C CE . MET A1 1 61 ? -9.369 9.011 -18.724 1.0 11.34 ? 61 A 1 -ATOM 921 H H . MET A1 1 61 ? -6.599 10.593 -20.471 1.0 44.35 ? 61 A 1 -ATOM 922 H HA . MET A1 1 61 ? -5.53 10.875 -17.836 1.0 14.21 ? 61 A 1 -ATOM 923 H HB2 . MET A1 1 61 ? -4.697 8.746 -19.787 1.0 14.23 ? 61 A 1 -ATOM 924 H HB3 . MET A1 1 61 ? -4.821 8.644 -18.036 1.0 0.24 ? 61 A 1 -ATOM 925 H HG2 . MET A1 1 61 ? -7.051 8.696 -20.044 1.0 62.14 ? 61 A 1 -ATOM 926 H HG3 . MET A1 1 61 ? -6.613 7.398 -18.936 1.0 32.0 ? 61 A 1 -ATOM 927 H HE1 . MET A1 1 61 ? -9.979 9.874 -18.499 1.0 54.23 ? 61 A 1 -ATOM 928 H HE2 . MET A1 1 61 ? -9.174 8.975 -19.785 1.0 64.31 ? 61 A 1 -ATOM 929 H HE3 . MET A1 1 61 ? -9.889 8.114 -18.422 1.0 24.11 ? 61 A 1 -ATOM 930 N N . SER A1 1 62 ? -3.376 10.845 -20.349 1.0 73.15 ? 62 A 1 -ATOM 931 C CA . SER A1 1 62 ? -2.047 11.284 -20.758 1.0 12.22 ? 62 A 1 -ATOM 932 C C . SER A1 1 62 ? -1.912 12.798 -20.63 1.0 13.52 ? 62 A 1 -ATOM 933 O O . SER A1 1 62 ? -0.836 13.313 -20.327 1.0 42.51 ? 62 A 1 -ATOM 934 C CB . SER A1 1 62 ? -1.766 10.856 -22.199 1.0 62.33 ? 62 A 1 -ATOM 935 O OG . SER A1 1 62 ? -0.388 10.583 -22.391 1.0 14.13 ? 62 A 1 -ATOM 936 H H . SER A1 1 62 ? -3.932 10.348 -20.985 1.0 74.25 ? 62 A 1 -ATOM 937 H HA . SER A1 1 62 ? -1.327 10.814 -20.104 1.0 74.15 ? 62 A 1 -ATOM 938 H HB2 . SER A1 1 62 ? -2.331 9.964 -22.424 1.0 54.41 ? 62 A 1 -ATOM 939 H HB3 . SER A1 1 62 ? -2.061 11.649 -22.872 1.0 23.45 ? 62 A 1 -ATOM 940 H HG . SER A1 1 62 ? -0.226 10.389 -23.317 1.0 1.23 ? 62 A 1 -ATOM 941 N N . ASP A1 1 63 ? -3.012 13.506 -20.863 1.0 34.33 ? 63 A 1 -ATOM 942 C CA . ASP A1 1 63 ? -3.019 14.961 -20.773 1.0 10.21 ? 63 A 1 -ATOM 943 C C . ASP A1 1 63 ? -2.648 15.421 -19.366 1.0 63.54 ? 63 A 1 -ATOM 944 O O . ASP A1 1 63 ? -2.19 16.547 -19.171 1.0 31.33 ? 63 A 1 -ATOM 945 C CB . ASP A1 1 63 ? -4.394 15.511 -21.156 1.0 21.1 ? 63 A 1 -ATOM 946 C CG . ASP A1 1 63 ? -4.337 16.963 -21.587 1.0 12.2 ? 63 A 1 -ATOM 947 O OD1 . ASP A1 1 63 ? -3.937 17.811 -20.762 1.0 53.24 ? 63 A 1 -ATOM 948 O OD2 . ASP A1 1 63 ? -4.694 17.252 -22.749 1.0 3.13 ? 63 A 1 -ATOM 949 H H . ASP A1 1 63 ? -3.84 13.037 -21.1 1.0 14.4 ? 63 A 1 -ATOM 950 H HA . ASP A1 1 63 ? -2.284 15.34 -21.467 1.0 72.42 ? 63 A 1 -ATOM 951 H HB2 . ASP A1 1 63 ? -4.793 14.928 -21.973 1.0 63.34 ? 63 A 1 -ATOM 952 H HB3 . ASP A1 1 63 ? -5.056 15.431 -20.306 1.0 44.51 ? 63 A 1 -ATOM 953 N N . TYR A1 1 64 ? -2.849 14.542 -18.39 1.0 43.15 ? 64 A 1 -ATOM 954 C CA . TYR A1 1 64 ? -2.538 14.859 -17.001 1.0 74.44 ? 64 A 1 -ATOM 955 C C . TYR A1 1 64 ? -3.586 15.796 -16.409 1.0 35.31 ? 64 A 1 -ATOM 956 O O . TYR A1 1 64 ? -3.257 16.741 -15.694 1.0 63.11 ? 64 A 1 -ATOM 957 C CB . TYR A1 1 64 ? -1.152 15.496 -16.899 1.0 41.31 ? 64 A 1 -ATOM 958 C CG . TYR A1 1 64 ? -0.104 14.807 -17.744 1.0 35.31 ? 64 A 1 -ATOM 959 C CD1 . TYR A1 1 64 ? 0.224 13.474 -17.528 1.0 10.21 ? 64 A 1 -ATOM 960 C CD2 . TYR A1 1 64 ? 0.556 15.488 -18.759 1.0 61.0 ? 64 A 1 -ATOM 961 C CE1 . TYR A1 1 64 ? 1.181 12.841 -18.297 1.0 31.32 ? 64 A 1 -ATOM 962 C CE2 . TYR A1 1 64 ? 1.513 14.862 -19.534 1.0 3.01 ? 64 A 1 -ATOM 963 C CZ . TYR A1 1 64 ? 1.823 13.539 -19.299 1.0 35.43 ? 64 A 1 -ATOM 964 O OH . TYR A1 1 64 ? 2.775 12.911 -20.068 1.0 23.32 ? 64 A 1 -ATOM 965 H H . TYR A1 1 64 ? -3.216 13.66 -18.609 1.0 10.22 ? 64 A 1 -ATOM 966 H HA . TYR A1 1 64 ? -2.541 13.934 -16.442 1.0 40.51 ? 64 A 1 -ATOM 967 H HB2 . TYR A1 1 64 ? -1.211 16.525 -17.22 1.0 75.32 ? 64 A 1 -ATOM 968 H HB3 . TYR A1 1 64 ? -0.823 15.464 -15.871 1.0 32.34 ? 64 A 1 -ATOM 969 H HD1 . TYR A1 1 64 ? -0.281 12.93 -16.743 1.0 1.35 ? 64 A 1 -ATOM 970 H HD2 . TYR A1 1 64 ? 0.312 16.525 -18.941 1.0 32.41 ? 64 A 1 -ATOM 971 H HE1 . TYR A1 1 64 ? 1.423 11.804 -18.113 1.0 52.21 ? 64 A 1 -ATOM 972 H HE2 . TYR A1 1 64 ? 2.016 15.408 -20.318 1.0 43.14 ? 64 A 1 -ATOM 973 H HH . TYR A1 1 64 ? 3.016 12.076 -19.66 1.0 23.33 ? 64 A 1 -ATOM 974 N N . ASN A1 1 65 ? -4.852 15.525 -16.712 1.0 61.21 ? 65 A 1 -ATOM 975 C CA . ASN A1 1 65 ? -5.95 16.343 -16.21 1.0 70.22 ? 65 A 1 -ATOM 976 C C . ASN A1 1 65 ? -7.038 15.472 -15.59 1.0 21.44 ? 65 A 1 -ATOM 977 O O . ASN A1 1 65 ? -8.109 15.96 -15.229 1.0 22.24 ? 65 A 1 -ATOM 978 C CB . ASN A1 1 65 ? -6.541 17.189 -17.34 1.0 30.31 ? 65 A 1 -ATOM 979 C CG . ASN A1 1 65 ? -7.412 18.317 -16.822 1.0 75.23 ? 65 A 1 -ATOM 980 O OD1 . ASN A1 1 65 ? -7.212 18.812 -15.713 1.0 74.2 ? 65 A 1 -ATOM 981 N ND2 . ASN A1 1 65 ? -8.386 18.728 -17.626 1.0 12.4 ? 65 A 1 -ATOM 982 H H . ASN A1 1 65 ? -5.052 14.757 -17.287 1.0 72.01 ? 65 A 1 -ATOM 983 H HA . ASN A1 1 65 ? -5.554 16.999 -15.45 1.0 43.44 ? 65 A 1 -ATOM 984 H HB2 . ASN A1 1 65 ? -5.736 17.618 -17.919 1.0 12.24 ? 65 A 1 -ATOM 985 H HB3 . ASN A1 1 65 ? -7.141 16.558 -17.978 1.0 73.02 ? 65 A 1 -ATOM 986 H HD21 . ASN A1 1 65 ? -8.487 18.288 -18.496 1.0 23.44 ? 65 A 1 -ATOM 987 H HD22 . ASN A1 1 65 ? -8.964 19.457 -17.317 1.0 32.24 ? 65 A 1 -ATOM 988 N N . VAL A1 1 66 ? -6.755 14.178 -15.468 1.0 11.4 ? 66 A 1 -ATOM 989 C CA . VAL A1 1 66 ? -7.708 13.239 -14.889 1.0 70.45 ? 66 A 1 -ATOM 990 C C . VAL A1 1 66 ? -7.51 13.113 -13.383 1.0 73.11 ? 66 A 1 -ATOM 991 O O . VAL A1 1 66 ? -6.424 12.77 -12.917 1.0 33.12 ? 66 A 1 -ATOM 992 C CB . VAL A1 1 66 ? -7.581 11.844 -15.531 1.0 40.11 ? 66 A 1 -ATOM 993 C CG1 . VAL A1 1 66 ? -6.21 11.249 -15.248 1.0 32.21 ? 66 A 1 -ATOM 994 C CG2 . VAL A1 1 66 ? -8.685 10.925 -15.03 1.0 25.13 ? 66 A 1 -ATOM 995 H H . VAL A1 1 66 ? -5.885 13.849 -15.774 1.0 25.31 ? 66 A 1 -ATOM 996 H HA . VAL A1 1 66 ? -8.704 13.611 -15.082 1.0 44.24 ? 66 A 1 -ATOM 997 H HB . VAL A1 1 66 ? -7.689 11.951 -16.6 1.0 65.05 ? 66 A 1 -ATOM 998 H HG11 . VAL A1 1 66 ? -6.034 10.419 -15.916 1.0 62.5 ? 66 A 1 -ATOM 999 H HG12 . VAL A1 1 66 ? -5.452 12.002 -15.4 1.0 4.5 ? 66 A 1 -ATOM 1000 H HG13 . VAL A1 1 66 ? -6.173 10.901 -14.226 1.0 12.32 ? 66 A 1 -ATOM 1001 H HG21 . VAL A1 1 66 ? -8.9 11.151 -13.996 1.0 23.4 ? 66 A 1 -ATOM 1002 H HG22 . VAL A1 1 66 ? -9.574 11.074 -15.624 1.0 64.2 ? 66 A 1 -ATOM 1003 H HG23 . VAL A1 1 66 ? -8.363 9.897 -15.114 1.0 74.31 ? 66 A 1 -ATOM 1004 N N . GLN A1 1 67 ? -8.568 13.392 -12.628 1.0 5.43 ? 67 A 1 -ATOM 1005 C CA . GLN A1 1 67 ? -8.509 13.31 -11.173 1.0 15.5 ? 67 A 1 -ATOM 1006 C C . GLN A1 1 67 ? -9.566 12.349 -10.639 1.0 62.54 ? 67 A 1 -ATOM 1007 O O . GLN A1 1 67 ? -10.355 11.79 -11.402 1.0 44.01 ? 67 A 1 -ATOM 1008 C CB . GLN A1 1 67 ? -8.705 14.696 -10.555 1.0 35.11 ? 67 A 1 -ATOM 1009 C CG . GLN A1 1 67 ? -10.05 15.324 -10.884 1.0 11.21 ? 67 A 1 -ATOM 1010 C CD . GLN A1 1 67 ? -10.464 16.378 -9.876 1.0 34.44 ? 67 A 1 -ATOM 1011 O OE1 . GLN A1 1 67 ? -10.496 16.122 -8.671 1.0 41.54 ? 67 A 1 -ATOM 1012 N NE2 . GLN A1 1 67 ? -10.785 17.57 -10.363 1.0 50.51 ? 67 A 1 -ATOM 1013 H H . GLN A1 1 67 ? -9.405 13.66 -13.058 1.0 54.23 ? 67 A 1 -ATOM 1014 H HA . GLN A1 1 67 ? -7.533 12.94 -10.901 1.0 21.13 ? 67 A 1 -ATOM 1015 H HB2 . GLN A1 1 67 ? -8.624 14.613 -9.481 1.0 61.05 ? 67 A 1 -ATOM 1016 H HB3 . GLN A1 1 67 ? -7.928 15.352 -10.918 1.0 21.05 ? 67 A 1 -ATOM 1017 H HG2 . GLN A1 1 67 ? -9.989 15.786 -11.858 1.0 63.24 ? 67 A 1 -ATOM 1018 H HG3 . GLN A1 1 67 ? -10.801 14.548 -10.901 1.0 63.02 ? 67 A 1 -ATOM 1019 H HE21 . GLN A1 1 67 ? -10.738 17.701 -11.334 1.0 0.12 ? 67 A 1 -ATOM 1020 H HE22 . GLN A1 1 67 ? -11.057 18.27 -9.734 1.0 72.41 ? 67 A 1 -ATOM 1021 N N . LYS A1 1 68 ? -9.576 12.159 -9.324 1.0 63.33 ? 68 A 1 -ATOM 1022 C CA . LYS A1 1 68 ? -10.535 11.265 -8.687 1.0 34.0 ? 68 A 1 -ATOM 1023 C C . LYS A1 1 68 ? -11.964 11.643 -9.064 1.0 33.21 ? 68 A 1 -ATOM 1024 O O . LYS A1 1 68 ? -12.846 10.787 -9.124 1.0 33.01 ? 68 A 1 -ATOM 1025 C CB . LYS A1 1 68 ? -10.37 11.306 -7.166 1.0 41.41 ? 68 A 1 -ATOM 1026 C CG . LYS A1 1 68 ? -11.212 10.276 -6.434 1.0 61.44 ? 68 A 1 -ATOM 1027 C CD . LYS A1 1 68 ? -10.715 8.863 -6.694 1.0 43.41 ? 68 A 1 -ATOM 1028 C CE . LYS A1 1 68 ? -9.68 8.439 -5.664 1.0 23.43 ? 68 A 1 -ATOM 1029 N NZ . LYS A1 1 68 ? -10.241 8.43 -4.284 1.0 52.05 ? 68 A 1 -ATOM 1030 H H . LYS A1 1 68 ? -8.921 12.633 -8.768 1.0 75.53 ? 68 A 1 -ATOM 1031 H HA . LYS A1 1 68 ? -10.337 10.263 -9.035 1.0 31.4 ? 68 A 1 -ATOM 1032 H HB2 . LYS A1 1 68 ? -9.332 11.13 -6.924 1.0 51.5 ? 68 A 1 -ATOM 1033 H HB3 . LYS A1 1 68 ? -10.652 12.288 -6.812 1.0 62.4 ? 68 A 1 -ATOM 1034 H HG2 . LYS A1 1 68 ? -11.165 10.473 -5.374 1.0 22.33 ? 68 A 1 -ATOM 1035 H HG3 . LYS A1 1 68 ? -12.236 10.355 -6.772 1.0 45.02 ? 68 A 1 -ATOM 1036 H HD2 . LYS A1 1 68 ? -11.551 8.182 -6.649 1.0 14.2 ? 68 A 1 -ATOM 1037 H HD3 . LYS A1 1 68 ? -10.268 8.823 -7.678 1.0 13.53 ? 68 A 1 -ATOM 1038 H HE2 . LYS A1 1 68 ? -9.334 7.446 -5.908 1.0 43.13 ? 68 A 1 -ATOM 1039 H HE3 . LYS A1 1 68 ? -8.85 9.129 -5.701 1.0 63.42 ? 68 A 1 -ATOM 1040 H HZ1 . LYS A1 1 68 ? -11.25 8.178 -4.311 1.0 1.54 ? 68 A 1 -ATOM 1041 H HZ2 . LYS A1 1 68 ? -10.14 9.371 -3.852 1.0 73.32 ? 68 A 1 -ATOM 1042 H HZ3 . LYS A1 1 68 ? -9.737 7.736 -3.698 1.0 23.44 ? 68 A 1 -ATOM 1043 N N . GLU A1 1 69 ? -12.184 12.929 -9.318 1.0 51.1 ? 69 A 1 -ATOM 1044 C CA . GLU A1 1 69 ? -13.506 13.418 -9.69 1.0 15.41 ? 69 A 1 -ATOM 1045 C C . GLU A1 1 69 ? -13.402 14.711 -10.495 1.0 20.25 ? 69 A 1 -ATOM 1046 O O . GLU A1 1 69 ? -13.245 15.794 -9.931 1.0 55.15 ? 69 A 1 -ATOM 1047 C CB . GLU A1 1 69 ? -14.359 13.65 -8.44 1.0 42.14 ? 69 A 1 -ATOM 1048 C CG . GLU A1 1 69 ? -13.648 14.445 -7.358 1.0 32.44 ? 69 A 1 -ATOM 1049 C CD . GLU A1 1 69 ? -14.544 15.486 -6.715 1.0 60.3 ? 69 A 1 -ATOM 1050 O OE1 . GLU A1 1 69 ? -14.769 16.542 -7.342 1.0 52.11 ? 69 A 1 -ATOM 1051 O OE2 . GLU A1 1 69 ? -15.019 15.245 -5.586 1.0 33.22 ? 69 A 1 -ATOM 1052 H H . GLU A1 1 69 ? -11.44 13.563 -9.253 1.0 51.55 ? 69 A 1 -ATOM 1053 H HA . GLU A1 1 69 ? -13.979 12.665 -10.302 1.0 21.13 ? 69 A 1 -ATOM 1054 H HB2 . GLU A1 1 69 ? -15.253 14.186 -8.723 1.0 70.35 ? 69 A 1 -ATOM 1055 H HB3 . GLU A1 1 69 ? -14.64 12.692 -8.029 1.0 25.14 ? 69 A 1 -ATOM 1056 H HG2 . GLU A1 1 69 ? -13.309 13.763 -6.592 1.0 60.54 ? 69 A 1 -ATOM 1057 H HG3 . GLU A1 1 69 ? -12.797 14.944 -7.796 1.0 2.43 ? 69 A 1 -ATOM 1058 N N . SER A1 1 70 ? -13.489 14.587 -11.815 1.0 51.41 ? 70 A 1 -ATOM 1059 C CA . SER A1 1 70 ? -13.4 15.744 -12.698 1.0 50.24 ? 70 A 1 -ATOM 1060 C C . SER A1 1 70 ? -14.717 15.968 -13.435 1.0 72.1 ? 70 A 1 -ATOM 1061 O O . SER A1 1 70 ? -15.397 15.016 -13.82 1.0 13.02 ? 70 A 1 -ATOM 1062 C CB . SER A1 1 70 ? -12.264 15.557 -13.706 1.0 75.43 ? 70 A 1 -ATOM 1063 O OG . SER A1 1 70 ? -11.478 16.73 -13.812 1.0 45.33 ? 70 A 1 -ATOM 1064 H H . SER A1 1 70 ? -13.614 13.696 -12.204 1.0 42.55 ? 70 A 1 -ATOM 1065 H HA . SER A1 1 70 ? -13.19 16.611 -12.089 1.0 61.25 ? 70 A 1 -ATOM 1066 H HB2 . SER A1 1 70 ? -11.633 14.742 -13.386 1.0 1.23 ? 70 A 1 -ATOM 1067 H HB3 . SER A1 1 70 ? -12.682 15.328 -14.676 1.0 50.33 ? 70 A 1 -ATOM 1068 H HG . SER A1 1 70 ? -12.049 17.487 -13.96 1.0 14.24 ? 70 A 1 -ATOM 1069 N N . THR A1 1 71 ? -15.072 17.234 -13.628 1.0 52.55 ? 71 A 1 -ATOM 1070 C CA . THR A1 1 71 ? -16.308 17.585 -14.317 1.0 43.33 ? 71 A 1 -ATOM 1071 C C . THR A1 1 71 ? -16.058 17.84 -15.799 1.0 63.44 ? 71 A 1 -ATOM 1072 O O . THR A1 1 71 ? -15.341 18.771 -16.168 1.0 13.52 ? 71 A 1 -ATOM 1073 C CB . THR A1 1 71 ? -16.962 18.834 -13.697 1.0 4.41 ? 71 A 1 -ATOM 1074 O OG1 . THR A1 1 71 ? -15.955 19.785 -13.334 1.0 4.41 ? 71 A 1 -ATOM 1075 C CG2 . THR A1 1 71 ? -17.782 18.463 -12.471 1.0 4.35 ? 71 A 1 -ATOM 1076 H H . THR A1 1 71 ? -14.488 17.949 -13.299 1.0 14.04 ? 71 A 1 -ATOM 1077 H HA . THR A1 1 71 ? -16.994 16.757 -14.215 1.0 24.13 ? 71 A 1 -ATOM 1078 H HB . THR A1 1 71 ? -17.619 19.28 -14.43 1.0 70.41 ? 71 A 1 -ATOM 1079 H HG1 . THR A1 1 71 ? -16.368 20.549 -12.924 1.0 53.11 ? 71 A 1 -ATOM 1080 H HG21 . THR A1 1 71 ? -17.373 17.57 -12.022 1.0 12.42 ? 71 A 1 -ATOM 1081 H HG22 . THR A1 1 71 ? -18.805 18.283 -12.763 1.0 75.2 ? 71 A 1 -ATOM 1082 H HG23 . THR A1 1 71 ? -17.748 19.273 -11.757 1.0 31.12 ? 71 A 1 -ATOM 1083 N N . LEU A1 1 72 ? -16.652 17.007 -16.646 1.0 74.32 ? 72 A 1 -ATOM 1084 C CA . LEU A1 1 72 ? -16.495 17.142 -18.09 1.0 62.12 ? 72 A 1 -ATOM 1085 C C . LEU A1 1 72 ? -17.852 17.202 -18.783 1.0 14.1 ? 72 A 1 -ATOM 1086 O O . LEU A1 1 72 ? -18.819 16.586 -18.333 1.0 22.33 ? 72 A 1 -ATOM 1087 C CB . LEU A1 1 72 ? -15.677 15.974 -18.645 1.0 54.24 ? 72 A 1 -ATOM 1088 C CG . LEU A1 1 72 ? -15.846 15.686 -20.138 1.0 12.34 ? 72 A 1 -ATOM 1089 C CD1 . LEU A1 1 72 ? -15.307 16.841 -20.968 1.0 71.53 ? 72 A 1 -ATOM 1090 C CD2 . LEU A1 1 72 ? -15.15 14.386 -20.512 1.0 45.31 ? 72 A 1 -ATOM 1091 H H . LEU A1 1 72 ? -17.211 16.283 -16.293 1.0 40.44 ? 72 A 1 -ATOM 1092 H HA . LEU A1 1 72 ? -15.966 18.064 -18.281 1.0 22.23 ? 72 A 1 -ATOM 1093 H HB2 . LEU A1 1 72 ? -14.635 16.186 -18.466 1.0 24.33 ? 72 A 1 -ATOM 1094 H HB3 . LEU A1 1 72 ? -15.962 15.085 -18.101 1.0 64.44 ? 72 A 1 -ATOM 1095 H HG . LEU A1 1 72 ? -16.899 15.579 -20.36 1.0 60.22 ? 72 A 1 -ATOM 1096 H HD11 . LEU A1 1 72 ? -16.044 17.131 -21.702 1.0 22.12 ? 72 A 1 -ATOM 1097 H HD12 . LEU A1 1 72 ? -14.402 16.531 -21.47 1.0 11.12 ? 72 A 1 -ATOM 1098 H HD13 . LEU A1 1 72 ? -15.091 17.679 -20.322 1.0 74.11 ? 72 A 1 -ATOM 1099 H HD21 . LEU A1 1 72 ? -15.669 13.925 -21.339 1.0 45.11 ? 72 A 1 -ATOM 1100 H HD22 . LEU A1 1 72 ? -15.157 13.718 -19.664 1.0 64.51 ? 72 A 1 -ATOM 1101 H HD23 . LEU A1 1 72 ? -14.128 14.594 -20.798 1.0 15.53 ? 72 A 1 -ATOM 1102 N N . HIS A1 1 73 ? -17.918 17.947 -19.882 1.0 22.1 ? 73 A 1 -ATOM 1103 C CA . HIS A1 1 73 ? -19.157 18.085 -20.639 1.0 43.22 ? 73 A 1 -ATOM 1104 C C . HIS A1 1 73 ? -19.179 17.125 -21.825 1.0 1.12 ? 73 A 1 -ATOM 1105 O O . HIS A1 1 73 ? -18.312 17.18 -22.698 1.0 41.41 ? 73 A 1 -ATOM 1106 C CB . HIS A1 1 73 ? -19.321 19.524 -21.13 1.0 34.11 ? 73 A 1 -ATOM 1107 C CG . HIS A1 1 73 ? -20.679 19.813 -21.694 1.0 25.31 ? 73 A 1 -ATOM 1108 N ND1 . HIS A1 1 73 ? -21.391 20.955 -21.394 1.0 22.31 ? 73 A 1 -ATOM 1109 C CD2 . HIS A1 1 73 ? -21.453 19.101 -22.546 1.0 30.12 ? 73 A 1 -ATOM 1110 C CE1 . HIS A1 1 73 ? -22.545 20.932 -22.035 1.0 74.03 ? 73 A 1 -ATOM 1111 N NE2 . HIS A1 1 73 ? -22.608 19.818 -22.742 1.0 22.32 ? 73 A 1 -ATOM 1112 H H . HIS A1 1 73 ? -17.114 18.414 -20.191 1.0 41.1 ? 73 A 1 -ATOM 1113 H HA . HIS A1 1 73 ? -19.977 17.843 -19.981 1.0 23.25 ? 73 A 1 -ATOM 1114 H HB2 . HIS A1 1 73 ? -19.155 20.2 -20.304 1.0 51.13 ? 73 A 1 -ATOM 1115 H HB3 . HIS A1 1 73 ? -18.592 19.72 -21.902 1.0 64.13 ? 73 A 1 -ATOM 1116 H HD1 . HIS A1 1 73 ? -21.095 21.674 -20.798 1.0 63.31 ? 73 A 1 -ATOM 1117 H HD2 . HIS A1 1 73 ? -21.209 18.146 -22.989 1.0 71.43 ? 73 A 1 -ATOM 1118 H HE1 . HIS A1 1 73 ? -23.309 21.694 -21.991 1.0 3.34 ? 73 A 1 -ATOM 1119 N N . LEU A1 1 74 ? -20.174 16.246 -21.849 1.0 31.4 ? 74 A 1 -ATOM 1120 C CA . LEU A1 1 74 ? -20.309 15.272 -22.927 1.0 41.22 ? 74 A 1 -ATOM 1121 C C . LEU A1 1 74 ? -21.536 15.573 -23.782 1.0 21.0 ? 74 A 1 -ATOM 1122 O O . LEU A1 1 74 ? -22.666 15.551 -23.294 1.0 70.53 ? 74 A 1 -ATOM 1123 C CB . LEU A1 1 74 ? -20.407 13.857 -22.354 1.0 42.32 ? 74 A 1 -ATOM 1124 C CG . LEU A1 1 74 ? -21.014 12.8 -23.277 1.0 13.02 ? 74 A 1 -ATOM 1125 C CD1 . LEU A1 1 74 ? -20.296 12.785 -24.617 1.0 50.12 ? 74 A 1 -ATOM 1126 C CD2 . LEU A1 1 74 ? -20.958 11.427 -22.624 1.0 22.4 ? 74 A 1 -ATOM 1127 H H . LEU A1 1 74 ? -20.834 16.25 -21.125 1.0 53.04 ? 74 A 1 -ATOM 1128 H HA . LEU A1 1 74 ? -19.428 15.341 -23.547 1.0 65.43 ? 74 A 1 -ATOM 1129 H HB2 . LEU A1 1 74 ? -19.41 13.536 -22.095 1.0 22.02 ? 74 A 1 -ATOM 1130 H HB3 . LEU A1 1 74 ? -21.012 13.905 -21.46 1.0 20.31 ? 74 A 1 -ATOM 1131 H HG . LEU A1 1 74 ? -22.052 13.043 -23.458 1.0 34.12 ? 74 A 1 -ATOM 1132 H HD11 . LEU A1 1 74 ? -20.256 11.774 -24.993 1.0 33.01 ? 74 A 1 -ATOM 1133 H HD12 . LEU A1 1 74 ? -19.292 13.162 -24.492 1.0 1.34 ? 74 A 1 -ATOM 1134 H HD13 . LEU A1 1 74 ? -20.83 13.41 -25.318 1.0 63.14 ? 74 A 1 -ATOM 1135 H HD21 . LEU A1 1 74 ? -19.928 11.116 -22.527 1.0 12.32 ? 74 A 1 -ATOM 1136 H HD22 . LEU A1 1 74 ? -21.492 10.715 -23.236 1.0 54.43 ? 74 A 1 -ATOM 1137 H HD23 . LEU A1 1 74 ? -21.414 11.474 -21.646 1.0 14.02 ? 74 A 1 -ATOM 1138 N N . VAL A1 1 75 ? -21.306 15.852 -25.061 1.0 43.5 ? 75 A 1 -ATOM 1139 C CA . VAL A1 1 75 ? -22.392 16.154 -25.985 1.0 52.32 ? 75 A 1 -ATOM 1140 C C . VAL A1 1 75 ? -22.532 15.066 -27.043 1.0 61.15 ? 75 A 1 -ATOM 1141 O O . VAL A1 1 75 ? -21.606 14.813 -27.816 1.0 54.31 ? 75 A 1 -ATOM 1142 C CB . VAL A1 1 75 ? -22.175 17.51 -26.684 1.0 24.5 ? 75 A 1 -ATOM 1143 C CG1 . VAL A1 1 75 ? -22.475 18.656 -25.731 1.0 55.3 ? 75 A 1 -ATOM 1144 C CG2 . VAL A1 1 75 ? -20.755 17.61 -27.22 1.0 64.14 ? 75 A 1 -ATOM 1145 H H . VAL A1 1 75 ? -20.383 15.855 -25.391 1.0 70.11 ? 75 A 1 -ATOM 1146 H HA . VAL A1 1 75 ? -23.309 16.21 -25.416 1.0 60.52 ? 75 A 1 -ATOM 1147 H HB . VAL A1 1 75 ? -22.858 17.575 -27.518 1.0 44.41 ? 75 A 1 -ATOM 1148 H HG11 . VAL A1 1 75 ? -21.558 19.173 -25.489 1.0 31.54 ? 75 A 1 -ATOM 1149 H HG12 . VAL A1 1 75 ? -23.164 19.344 -26.2 1.0 61.34 ? 75 A 1 -ATOM 1150 H HG13 . VAL A1 1 75 ? -22.917 18.265 -24.826 1.0 54.52 ? 75 A 1 -ATOM 1151 H HG21 . VAL A1 1 75 ? -20.599 16.85 -27.972 1.0 5.24 ? 75 A 1 -ATOM 1152 H HG22 . VAL A1 1 75 ? -20.604 18.586 -27.657 1.0 61.35 ? 75 A 1 -ATOM 1153 H HG23 . VAL A1 1 75 ? -20.053 17.466 -26.412 1.0 24.43 ? 75 A 1 -ATOM 1154 N N . LEU A1 1 76 ? -23.694 14.424 -27.074 1.0 35.1 ? 76 A 1 -ATOM 1155 C CA . LEU A1 1 76 ? -23.957 13.362 -28.039 1.0 22.53 ? 76 A 1 -ATOM 1156 C C . LEU A1 1 76 ? -25.073 13.761 -28.999 1.0 2.14 ? 76 A 1 -ATOM 1157 O O . LEU A1 1 76 ? -26.09 14.319 -28.586 1.0 21.5 ? 76 A 1 -ATOM 1158 C CB . LEU A1 1 76 ? -24.331 12.068 -27.313 1.0 73.12 ? 76 A 1 -ATOM 1159 C CG . LEU A1 1 76 ? -23.826 11.934 -25.876 1.0 64.45 ? 76 A 1 -ATOM 1160 C CD1 . LEU A1 1 76 ? -24.855 12.474 -24.896 1.0 24.13 ? 76 A 1 -ATOM 1161 C CD2 . LEU A1 1 76 ? -23.496 10.482 -25.561 1.0 22.03 ? 76 A 1 -ATOM 1162 H H . LEU A1 1 76 ? -24.394 14.669 -26.433 1.0 44.32 ? 76 A 1 -ATOM 1163 H HA . LEU A1 1 76 ? -23.052 13.198 -28.605 1.0 53.04 ? 76 A 1 -ATOM 1164 H HB2 . LEU A1 1 76 ? -25.408 12.001 -27.292 1.0 71.31 ? 76 A 1 -ATOM 1165 H HB3 . LEU A1 1 76 ? -23.932 11.242 -27.884 1.0 62.14 ? 76 A 1 -ATOM 1166 H HG . LEU A1 1 76 ? -22.921 12.515 -25.764 1.0 42.11 ? 76 A 1 -ATOM 1167 H HD11 . LEU A1 1 76 ? -25.455 13.227 -25.383 1.0 12.14 ? 76 A 1 -ATOM 1168 H HD12 . LEU A1 1 76 ? -24.349 12.91 -24.047 1.0 23.21 ? 76 A 1 -ATOM 1169 H HD13 . LEU A1 1 76 ? -25.49 11.667 -24.56 1.0 40.2 ? 76 A 1 -ATOM 1170 H HD21 . LEU A1 1 76 ? -23.666 9.875 -26.437 1.0 53.24 ? 76 A 1 -ATOM 1171 H HD22 . LEU A1 1 76 ? -24.127 10.137 -24.755 1.0 72.02 ? 76 A 1 -ATOM 1172 H HD23 . LEU A1 1 76 ? -22.46 10.405 -25.264 1.0 63.4 ? 76 A 1 -ATOM 1173 N N . ARG A1 1 77 ? -24.876 13.47 -30.28 1.0 50.44 ? 77 A 1 -ATOM 1174 C CA . ARG A1 1 77 ? -25.866 13.798 -31.299 1.0 12.4 ? 77 A 1 -ATOM 1175 C C . ARG A1 1 77 ? -26.636 12.553 -31.73 1.0 10.32 ? 77 A 1 -ATOM 1176 O O . ARG A1 1 77 ? -26.551 12.125 -32.882 1.0 12.43 ? 77 A 1 -ATOM 1177 C CB . ARG A1 1 77 ? -25.188 14.437 -32.512 1.0 55.35 ? 77 A 1 -ATOM 1178 C CG . ARG A1 1 77 ? -24.609 15.814 -32.232 1.0 12.22 ? 77 A 1 -ATOM 1179 C CD . ARG A1 1 77 ? -23.089 15.796 -32.262 1.0 60.22 ? 77 A 1 -ATOM 1180 N NE . ARG A1 1 77 ? -22.529 17.134 -32.432 1.0 64.33 ? 77 A 1 -ATOM 1181 C CZ . ARG A1 1 77 ? -22.48 17.767 -33.599 1.0 13.31 ? 77 A 1 -ATOM 1182 N NH1 . ARG A1 1 77 ? -22.957 17.188 -34.692 1.0 63.3 ? 77 A 1 -ATOM 1183 N NH2 . ARG A1 1 77 ? -21.955 18.984 -33.673 1.0 70.54 ? 77 A 1 -ATOM 1184 H H . ARG A1 1 77 ? -24.045 13.025 -30.548 1.0 2.41 ? 77 A 1 -ATOM 1185 H HA . ARG A1 1 77 ? -26.56 14.506 -30.871 1.0 53.23 ? 77 A 1 -ATOM 1186 H HB2 . ARG A1 1 77 ? -24.386 13.794 -32.842 1.0 41.04 ? 77 A 1 -ATOM 1187 H HB3 . ARG A1 1 77 ? -25.914 14.531 -33.307 1.0 23.23 ? 77 A 1 -ATOM 1188 H HG2 . ARG A1 1 77 ? -24.965 16.504 -32.983 1.0 3.21 ? 77 A 1 -ATOM 1189 H HG3 . ARG A1 1 77 ? -24.938 16.14 -31.256 1.0 45.32 ? 77 A 1 -ATOM 1190 H HD2 . ARG A1 1 77 ? -22.729 15.381 -31.333 1.0 24.22 ? 77 A 1 -ATOM 1191 H HD3 . ARG A1 1 77 ? -22.766 15.173 -33.083 1.0 55.12 ? 77 A 1 -ATOM 1192 H HE . ARG A1 1 77 ? -22.171 17.58 -31.637 1.0 41.44 ? 77 A 1 -ATOM 1193 H HH11 . ARG A1 1 77 ? -23.354 16.272 -34.639 1.0 31.24 ? 77 A 1 -ATOM 1194 H HH12 . ARG A1 1 77 ? -22.92 17.668 -35.569 1.0 72.5 ? 77 A 1 -ATOM 1195 H HH21 . ARG A1 1 77 ? -21.595 19.424 -32.851 1.0 71.34 ? 77 A 1 -ATOM 1196 H HH22 . ARG A1 1 77 ? -21.919 19.459 -34.552 1.0 1.44 ? 77 A 1 -ATOM 1197 N N . LEU A1 1 78 ? -27.386 11.976 -30.798 1.0 31.03 ? 78 A 1 -ATOM 1198 C CA . LEU A1 1 78 ? -28.171 10.779 -31.08 1.0 51.32 ? 78 A 1 -ATOM 1199 C C . LEU A1 1 78 ? -29.425 11.126 -31.876 1.0 14.11 ? 78 A 1 -ATOM 1200 O O . LEU A1 1 78 ? -29.683 10.546 -32.931 1.0 12.31 ? 78 A 1 -ATOM 1201 C CB . LEU A1 1 78 ? -28.558 10.079 -29.776 1.0 42.51 ? 78 A 1 -ATOM 1202 C CG . LEU A1 1 78 ? -27.551 9.063 -29.235 1.0 51.45 ? 78 A 1 -ATOM 1203 C CD1 . LEU A1 1 78 ? -26.209 9.729 -28.973 1.0 14.44 ? 78 A 1 -ATOM 1204 C CD2 . LEU A1 1 78 ? -28.082 8.41 -27.968 1.0 25.32 ? 78 A 1 -ATOM 1205 H H . LEU A1 1 78 ? -27.413 12.363 -29.898 1.0 75.31 ? 78 A 1 -ATOM 1206 H HA . LEU A1 1 78 ? -27.559 10.113 -31.669 1.0 64.2 ? 78 A 1 -ATOM 1207 H HB2 . LEU A1 1 78 ? -28.698 10.839 -29.022 1.0 61.14 ? 78 A 1 -ATOM 1208 H HB3 . LEU A1 1 78 ? -29.493 9.564 -29.943 1.0 62.32 ? 78 A 1 -ATOM 1209 H HG . LEU A1 1 78 ? -27.399 8.288 -29.974 1.0 53.42 ? 78 A 1 -ATOM 1210 H HD11 . LEU A1 1 78 ? -25.536 9.516 -29.789 1.0 3.24 ? 78 A 1 -ATOM 1211 H HD12 . LEU A1 1 78 ? -25.792 9.348 -28.052 1.0 74.14 ? 78 A 1 -ATOM 1212 H HD13 . LEU A1 1 78 ? -26.348 10.797 -28.889 1.0 11.41 ? 78 A 1 -ATOM 1213 H HD21 . LEU A1 1 78 ? -29.161 8.451 -27.966 1.0 65.32 ? 78 A 1 -ATOM 1214 H HD22 . LEU A1 1 78 ? -27.7 8.936 -27.105 1.0 65.43 ? 78 A 1 -ATOM 1215 H HD23 . LEU A1 1 78 ? -27.759 7.379 -27.933 1.0 34.04 ? 78 A 1 -ATOM 1216 N N . ARG A1 1 79 ? -30.201 12.076 -31.364 1.0 44.5 ? 79 A 1 -ATOM 1217 C CA . ARG A1 1 79 ? -31.427 12.501 -32.027 1.0 54.44 ? 79 A 1 -ATOM 1218 C C . ARG A1 1 79 ? -32.402 11.335 -32.167 1.0 43.43 ? 79 A 1 -ATOM 1219 O O . ARG A1 1 79 ? -33.196 11.286 -33.106 1.0 24.23 ? 79 A 1 -ATOM 1220 C CB . ARG A1 1 79 ? -31.111 13.084 -33.406 1.0 53.1 ? 79 A 1 -ATOM 1221 C CG . ARG A1 1 79 ? -32.115 14.127 -33.871 1.0 62.42 ? 79 A 1 -ATOM 1222 C CD . ARG A1 1 79 ? -31.475 15.133 -34.815 1.0 15.2 ? 79 A 1 -ATOM 1223 N NE . ARG A1 1 79 ? -31.728 14.807 -36.216 1.0 22.21 ? 79 A 1 -ATOM 1224 C CZ . ARG A1 1 79 ? -32.924 14.895 -36.787 1.0 43.33 ? 79 A 1 -ATOM 1225 N NH1 . ARG A1 1 79 ? -33.971 15.298 -36.081 1.0 51.34 ? 79 A 1 -ATOM 1226 N NH2 . ARG A1 1 79 ? -33.074 14.581 -38.068 1.0 24.34 ? 79 A 1 -ATOM 1227 H H . ARG A1 1 79 ? -29.942 12.502 -30.52 1.0 30.43 ? 79 A 1 -ATOM 1228 H HA . ARG A1 1 79 ? -31.885 13.267 -31.419 1.0 75.12 ? 79 A 1 -ATOM 1229 H HB2 . ARG A1 1 79 ? -30.135 13.546 -33.374 1.0 72.51 ? 79 A 1 -ATOM 1230 H HB3 . ARG A1 1 79 ? -31.098 12.282 -34.128 1.0 62.3 ? 79 A 1 -ATOM 1231 H HG2 . ARG A1 1 79 ? -32.923 13.63 -34.387 1.0 34.21 ? 79 A 1 -ATOM 1232 H HG3 . ARG A1 1 79 ? -32.502 14.649 -33.009 1.0 51.44 ? 79 A 1 -ATOM 1233 H HD2 . ARG A1 1 79 ? -31.881 16.112 -34.605 1.0 21.42 ? 79 A 1 -ATOM 1234 H HD3 . ARG A1 1 79 ? -30.41 15.141 -34.643 1.0 24.22 ? 79 A 1 -ATOM 1235 H HE . ARG A1 1 79 ? -30.968 14.507 -36.756 1.0 63.2 ? 79 A 1 -ATOM 1236 H HH11 . ARG A1 1 79 ? -33.861 15.537 -35.117 1.0 0.03 ? 79 A 1 -ATOM 1237 H HH12 . ARG A1 1 79 ? -34.87 15.365 -36.514 1.0 54.33 ? 79 A 1 -ATOM 1238 H HH21 . ARG A1 1 79 ? -32.286 14.277 -38.603 1.0 72.3 ? 79 A 1 -ATOM 1239 H HH22 . ARG A1 1 79 ? -33.974 14.647 -38.497 1.0 2.44 ? 79 A 1 -ATOM 1240 N N . GLY A1 1 80 ? -32.334 10.398 -31.227 1.0 11.03 ? 80 A 1 -ATOM 1241 C CA . GLY A1 1 80 ? -33.215 9.245 -31.264 1.0 3.12 ? 80 A 1 -ATOM 1242 C C . GLY A1 1 80 ? -32.484 7.969 -31.633 1.0 52.34 ? 80 A 1 -ATOM 1243 O O . GLY A1 1 80 ? -32.035 7.809 -32.767 1.0 43.44 ? 80 A 1 -ATOM 1244 H H . GLY A1 1 80 ? -31.681 10.49 -30.502 1.0 0.24 ? 80 A 1 -ATOM 1245 H HA2 . GLY A1 1 80 ? -33.667 9.12 -30.291 1.0 71.24 ? 80 A 1 -ATOM 1246 H HA3 . GLY A1 1 80 ? -33.993 9.424 -31.991 1.0 43.14 ? 80 A 1 -ATOM 1247 N N . GLY A1 1 81 ? -32.364 7.058 -30.672 1.0 43.34 ? 81 A 1 -ATOM 1248 C CA . GLY A1 1 81 ? -31.68 5.803 -30.922 1.0 20.2 ? 81 A 1 -ATOM 1249 C C . GLY A1 1 81 ? -31.579 4.941 -29.679 1.0 63.23 ? 81 A 1 -ATOM 1250 O O . GLY A1 1 81 ? -32.344 5.114 -28.731 1.0 30.24 ? 81 A 1 -ATOM 1251 H H . GLY A1 1 81 ? -32.742 7.24 -29.787 1.0 11.33 ? 81 A 1 -ATOM 1252 H HA2 . GLY A1 1 81 ? -32.218 5.258 -31.683 1.0 30.51 ? 81 A 1 -ATOM 1253 H HA3 . GLY A1 1 81 ? -30.683 6.014 -31.281 1.0 55.14 ? 81 A 1 -ATOM 1254 N N . VAL A1 1 82 ? -30.632 4.008 -29.684 1.0 30.52 ? 82 A 1 -ATOM 1255 C CA . VAL A1 1 82 ? -30.434 3.114 -28.549 1.0 4.45 ? 82 A 1 -ATOM 1256 C C . VAL A1 1 82 ? -30.241 3.902 -27.257 1.0 63.52 ? 82 A 1 -ATOM 1257 O O . VAL A1 1 82 ? -31.165 4.035 -26.456 1.0 12.52 ? 82 A 1 -ATOM 1258 C CB . VAL A1 1 82 ? -29.216 2.195 -28.763 1.0 53.54 ? 82 A 1 -ATOM 1259 C CG1 . VAL A1 1 82 ? -29.525 1.136 -29.81 1.0 33.31 ? 82 A 1 -ATOM 1260 C CG2 . VAL A1 1 82 ? -27.997 3.012 -29.164 1.0 1.13 ? 82 A 1 -ATOM 1261 H H . VAL A1 1 82 ? -30.053 3.918 -30.469 1.0 42.11 ? 82 A 1 -ATOM 1262 H HA . VAL A1 1 82 ? -31.314 2.495 -28.453 1.0 65.12 ? 82 A 1 -ATOM 1263 H HB . VAL A1 1 82 ? -28.999 1.696 -27.831 1.0 3.02 ? 82 A 1 -ATOM 1264 H HG11 . VAL A1 1 82 ? -29.329 1.535 -30.794 1.0 71.54 ? 82 A 1 -ATOM 1265 H HG12 . VAL A1 1 82 ? -28.903 0.269 -29.64 1.0 43.52 ? 82 A 1 -ATOM 1266 H HG13 . VAL A1 1 82 ? -30.565 0.852 -29.738 1.0 60.31 ? 82 A 1 -ATOM 1267 H HG21 . VAL A1 1 82 ? -27.114 2.588 -28.709 1.0 51.1 ? 82 A 1 -ATOM 1268 H HG22 . VAL A1 1 82 ? -27.892 2.997 -30.238 1.0 43.42 ? 82 A 1 -ATOM 1269 H HG23 . VAL A1 1 82 ? -28.12 4.032 -28.828 1.0 61.21 ? 82 A 1 -ATOM 1 N N . GLY A1 1 1 ? -15.058 -3.936 -6.094 1.0 13.0 ? 1 A 2 -ATOM 2 C CA . GLY A1 1 1 ? -14.031 -3.501 -5.166 1.0 45.03 ? 1 A 2 -ATOM 3 C C . GLY A1 1 1 ? -13.291 -2.271 -5.655 1.0 65.21 ? 1 A 2 -ATOM 4 O O . GLY A1 1 1 ? -13.379 -1.89 -6.822 1.0 33.34 ? 1 A 2 -ATOM 5 H H1 . GLY A1 1 1 ? -15.465 -3.29 -6.709 1.0 52.4 ? 1 A 2 -ATOM 6 H HA2 . GLY A1 1 1 ? -14.491 -3.277 -4.215 1.0 14.15 ? 1 A 2 -ATOM 7 H HA3 . GLY A1 1 1 ? -13.321 -4.303 -5.03 1.0 34.23 ? 1 A 2 -ATOM 8 N N . PRO A1 1 2 ? -12.541 -1.627 -4.748 1.0 55.32 ? 2 A 2 -ATOM 9 C CA . PRO A1 1 2 ? -11.769 -0.423 -5.069 1.0 21.43 ? 2 A 2 -ATOM 10 C C . PRO A1 1 2 ? -10.584 -0.721 -5.981 1.0 41.45 ? 2 A 2 -ATOM 11 O O . PRO A1 1 2 ? -9.89 -1.723 -5.806 1.0 62.42 ? 2 A 2 -ATOM 12 C CB . PRO A1 1 2 ? -11.283 0.063 -3.702 1.0 51.45 ? 2 A 2 -ATOM 13 C CG . PRO A1 1 2 ? -11.259 -1.161 -2.852 1.0 43.11 ? 2 A 2 -ATOM 14 C CD . PRO A1 1 2 ? -12.39 -2.025 -3.338 1.0 64.14 ? 2 A 2 -ATOM 15 H HA . PRO A1 1 2 ? -12.389 0.336 -5.523 1.0 31.54 ? 2 A 2 -ATOM 16 H HB2 . PRO A1 1 2 ? -10.298 0.496 -3.8 1.0 42.4 ? 2 A 2 -ATOM 17 H HB3 . PRO A1 1 2 ? -11.969 0.8 -3.313 1.0 62.54 ? 2 A 2 -ATOM 18 H HG2 . PRO A1 1 2 ? -10.317 -1.673 -2.972 1.0 3.22 ? 2 A 2 -ATOM 19 H HG3 . PRO A1 1 2 ? -11.412 -0.891 -1.817 1.0 51.14 ? 2 A 2 -ATOM 20 H HD2 . PRO A1 1 2 ? -12.127 -3.07 -3.258 1.0 11.0 ? 2 A 2 -ATOM 21 H HD3 . PRO A1 1 2 ? -13.291 -1.816 -2.78 1.0 24.12 ? 2 A 2 -ATOM 22 N N . LEU A1 1 3 ? -10.357 0.155 -6.954 1.0 34.12 ? 3 A 2 -ATOM 23 C CA . LEU A1 1 3 ? -9.254 -0.014 -7.894 1.0 54.03 ? 3 A 2 -ATOM 24 C C . LEU A1 1 3 ? -9.178 1.163 -8.861 1.0 63.21 ? 3 A 2 -ATOM 25 O O . LEU A1 1 3 ? -10.184 1.808 -9.15 1.0 11.24 ? 3 A 2 -ATOM 26 C CB . LEU A1 1 3 ? -9.419 -1.32 -8.674 1.0 60.12 ? 3 A 2 -ATOM 27 C CG . LEU A1 1 3 ? -10.771 -1.527 -9.359 1.0 64.13 ? 3 A 2 -ATOM 28 C CD1 . LEU A1 1 3 ? -10.7 -1.106 -10.818 1.0 62.25 ? 3 A 2 -ATOM 29 C CD2 . LEU A1 1 3 ? -11.211 -2.979 -9.241 1.0 0.12 ? 3 A 2 -ATOM 30 H H . LEU A1 1 3 ? -10.945 0.934 -7.043 1.0 52.35 ? 3 A 2 -ATOM 31 H HA . LEU A1 1 3 ? -8.338 -0.058 -7.325 1.0 43.13 ? 3 A 2 -ATOM 32 H HB2 . LEU A1 1 3 ? -8.655 -1.348 -9.436 1.0 74.24 ? 3 A 2 -ATOM 33 H HB3 . LEU A1 1 3 ? -9.267 -2.138 -7.984 1.0 72.41 ? 3 A 2 -ATOM 34 H HG . LEU A1 1 3 ? -11.513 -0.911 -8.869 1.0 43.5 ? 3 A 2 -ATOM 35 H HD11 . LEU A1 1 3 ? -11.6 -0.571 -11.082 1.0 50.45 ? 3 A 2 -ATOM 36 H HD12 . LEU A1 1 3 ? -10.607 -1.982 -11.442 1.0 4.34 ? 3 A 2 -ATOM 37 H HD13 . LEU A1 1 3 ? -9.843 -0.465 -10.967 1.0 54.42 ? 3 A 2 -ATOM 38 H HD21 . LEU A1 1 3 ? -11.808 -3.103 -8.35 1.0 23.33 ? 3 A 2 -ATOM 39 H HD22 . LEU A1 1 3 ? -10.34 -3.615 -9.183 1.0 1.01 ? 3 A 2 -ATOM 40 H HD23 . LEU A1 1 3 ? -11.796 -3.249 -10.109 1.0 75.24 ? 3 A 2 -ATOM 41 N N . GLY A1 1 4 ? -7.975 1.436 -9.359 1.0 4.21 ? 4 A 2 -ATOM 42 C CA . GLY A1 1 4 ? -7.789 2.534 -10.289 1.0 43.34 ? 4 A 2 -ATOM 43 C C . GLY A1 1 4 ? -6.847 3.594 -9.754 1.0 32.24 ? 4 A 2 -ATOM 44 O O . GLY A1 1 4 ? -6.263 3.432 -8.683 1.0 73.31 ? 4 A 2 -ATOM 45 H H . GLY A1 1 4 ? -7.208 0.887 -9.092 1.0 2.13 ? 4 A 2 -ATOM 46 H HA2 . GLY A1 1 4 ? -7.389 2.144 -11.213 1.0 53.5 ? 4 A 2 -ATOM 47 H HA3 . GLY A1 1 4 ? -8.749 2.989 -10.488 1.0 61.41 ? 4 A 2 -ATOM 48 N N . SER A1 1 5 ? -6.698 4.682 -10.503 1.0 14.33 ? 5 A 2 -ATOM 49 C CA . SER A1 1 5 ? -5.815 5.771 -10.1 1.0 12.42 ? 5 A 2 -ATOM 50 C C . SER A1 1 5 ? -6.608 7.053 -9.863 1.0 43.22 ? 5 A 2 -ATOM 51 O O . SER A1 1 5 ? -6.73 7.52 -8.731 1.0 33.52 ? 5 A 2 -ATOM 52 C CB . SER A1 1 5 ? -4.745 6.01 -11.167 1.0 72.02 ? 5 A 2 -ATOM 53 O OG . SER A1 1 5 ? -3.601 6.634 -10.611 1.0 21.35 ? 5 A 2 -ATOM 54 H H . SER A1 1 5 ? -7.191 4.753 -11.347 1.0 31.12 ? 5 A 2 -ATOM 55 H HA . SER A1 1 5 ? -5.334 5.484 -9.177 1.0 12.32 ? 5 A 2 -ATOM 56 H HB2 . SER A1 1 5 ? -4.451 5.064 -11.596 1.0 41.01 ? 5 A 2 -ATOM 57 H HB3 . SER A1 1 5 ? -5.148 6.647 -11.941 1.0 74.13 ? 5 A 2 -ATOM 58 H HG . SER A1 1 5 ? -3.289 6.122 -9.861 1.0 33.45 ? 5 A 2 -ATOM 59 N N . MET A1 1 6 ? -7.144 7.618 -10.941 1.0 14.01 ? 6 A 2 -ATOM 60 C CA . MET A1 1 6 ? -7.926 8.845 -10.851 1.0 54.33 ? 6 A 2 -ATOM 61 C C . MET A1 1 6 ? -9.241 8.709 -11.612 1.0 31.44 ? 6 A 2 -ATOM 62 O O . MET A1 1 6 ? -9.257 8.297 -12.771 1.0 1.11 ? 6 A 2 -ATOM 63 C CB . MET A1 1 6 ? -7.125 10.027 -11.401 1.0 70.21 ? 6 A 2 -ATOM 64 C CG . MET A1 1 6 ? -6.734 9.869 -12.861 1.0 25.05 ? 6 A 2 -ATOM 65 S SD . MET A1 1 6 ? -4.993 10.234 -13.157 1.0 3.44 ? 6 A 2 -ATOM 66 C CE . MET A1 1 6 ? -4.209 9.061 -12.054 1.0 13.21 ? 6 A 2 -ATOM 67 H H . MET A1 1 6 ? -7.012 7.199 -11.817 1.0 2.32 ? 6 A 2 -ATOM 68 H HA . MET A1 1 6 ? -8.144 9.024 -9.808 1.0 5.22 ? 6 A 2 -ATOM 69 H HB2 . MET A1 1 6 ? -7.717 10.924 -11.304 1.0 62.43 ? 6 A 2 -ATOM 70 H HB3 . MET A1 1 6 ? -6.222 10.137 -10.819 1.0 63.34 ? 6 A 2 -ATOM 71 H HG2 . MET A1 1 6 ? -6.93 8.851 -13.165 1.0 33.13 ? 6 A 2 -ATOM 72 H HG3 . MET A1 1 6 ? -7.335 10.541 -13.455 1.0 12.41 ? 6 A 2 -ATOM 73 H HE1 . MET A1 1 6 ? -4.958 8.6 -11.427 1.0 12.23 ? 6 A 2 -ATOM 74 H HE2 . MET A1 1 6 ? -3.708 8.3 -12.634 1.0 52.54 ? 6 A 2 -ATOM 75 H HE3 . MET A1 1 6 ? -3.488 9.575 -11.436 1.0 2.41 ? 6 A 2 -ATOM 76 N N . GLN A1 1 7 ? -10.341 9.058 -10.952 1.0 13.12 ? 7 A 2 -ATOM 77 C CA . GLN A1 1 7 ? -11.66 8.973 -11.567 1.0 13.2 ? 7 A 2 -ATOM 78 C C . GLN A1 1 7 ? -12.062 10.311 -12.178 1.0 42.42 ? 7 A 2 -ATOM 79 O O . GLN A1 1 7 ? -11.548 11.361 -11.791 1.0 71.33 ? 7 A 2 -ATOM 80 C CB . GLN A1 1 7 ? -12.7 8.537 -10.534 1.0 42.01 ? 7 A 2 -ATOM 81 C CG . GLN A1 1 7 ? -12.202 7.459 -9.585 1.0 12.34 ? 7 A 2 -ATOM 82 C CD . GLN A1 1 7 ? -11.543 8.032 -8.346 1.0 44.31 ? 7 A 2 -ATOM 83 O OE1 . GLN A1 1 7 ? -11.491 9.248 -8.162 1.0 33.44 ? 7 A 2 -ATOM 84 N NE2 . GLN A1 1 7 ? -11.036 7.156 -7.486 1.0 73.32 ? 7 A 2 -ATOM 85 H H . GLN A1 1 7 ? -10.263 9.379 -10.03 1.0 71.21 ? 7 A 2 -ATOM 86 H HA . GLN A1 1 7 ? -11.612 8.233 -12.351 1.0 62.03 ? 7 A 2 -ATOM 87 H HB2 . GLN A1 1 7 ? -12.991 9.396 -9.948 1.0 13.25 ? 7 A 2 -ATOM 88 H HB3 . GLN A1 1 7 ? -13.567 8.156 -11.053 1.0 41.42 ? 7 A 2 -ATOM 89 H HG2 . GLN A1 1 7 ? -13.04 6.85 -9.28 1.0 43.33 ? 7 A 2 -ATOM 90 H HG3 . GLN A1 1 7 ? -11.482 6.844 -10.106 1.0 33.21 ? 7 A 2 -ATOM 91 H HE21 . GLN A1 1 7 ? -11.114 6.202 -7.698 1.0 52.01 ? 7 A 2 -ATOM 92 H HE22 . GLN A1 1 7 ? -10.604 7.499 -6.677 1.0 55.43 ? 7 A 2 -ATOM 93 N N . ILE A1 1 8 ? -12.984 10.265 -13.135 1.0 12.12 ? 8 A 2 -ATOM 94 C CA . ILE A1 1 8 ? -13.455 11.474 -13.799 1.0 64.2 ? 8 A 2 -ATOM 95 C C . ILE A1 1 8 ? -14.978 11.545 -13.796 1.0 0.33 ? 8 A 2 -ATOM 96 O O . ILE A1 1 8 ? -15.657 10.529 -13.645 1.0 11.35 ? 8 A 2 -ATOM 97 C CB . ILE A1 1 8 ? -12.952 11.551 -15.252 1.0 65.34 ? 8 A 2 -ATOM 98 C CG1 . ILE A1 1 8 ? -12.089 10.331 -15.581 1.0 72.33 ? 8 A 2 -ATOM 99 C CG2 . ILE A1 1 8 ? -12.167 12.836 -15.474 1.0 55.24 ? 8 A 2 -ATOM 100 C CD1 . ILE A1 1 8 ? -11.709 10.236 -17.042 1.0 11.02 ? 8 A 2 -ATOM 101 H H . ILE A1 1 8 ? -13.356 9.399 -13.399 1.0 43.45 ? 8 A 2 -ATOM 102 H HA . ILE A1 1 8 ? -13.065 12.325 -13.258 1.0 41.41 ? 8 A 2 -ATOM 103 H HB . ILE A1 1 8 ? -13.81 11.564 -15.907 1.0 13.24 ? 8 A 2 -ATOM 104 H HG12 . ILE A1 1 8 ? -11.179 10.375 -15.005 1.0 4.11 ? 8 A 2 -ATOM 105 H HG13 . ILE A1 1 8 ? -12.633 9.434 -15.32 1.0 33.41 ? 8 A 2 -ATOM 106 H HG21 . ILE A1 1 8 ? -11.566 13.046 -14.601 1.0 12.11 ? 8 A 2 -ATOM 107 H HG22 . ILE A1 1 8 ? -11.524 12.721 -16.333 1.0 14.43 ? 8 A 2 -ATOM 108 H HG23 . ILE A1 1 8 ? -12.853 13.652 -15.643 1.0 53.13 ? 8 A 2 -ATOM 109 H HD11 . ILE A1 1 8 ? -12.28 9.448 -17.512 1.0 4.51 ? 8 A 2 -ATOM 110 H HD12 . ILE A1 1 8 ? -11.923 11.175 -17.532 1.0 22.53 ? 8 A 2 -ATOM 111 H HD13 . ILE A1 1 8 ? -10.656 10.016 -17.127 1.0 32.23 ? 8 A 2 -ATOM 112 N N . PHE A1 1 9 ? -15.51 12.751 -13.965 1.0 44.42 ? 9 A 2 -ATOM 113 C CA . PHE A1 1 9 ? -16.954 12.954 -13.983 1.0 45.42 ? 9 A 2 -ATOM 114 C C . PHE A1 1 9 ? -17.429 13.356 -15.376 1.0 62.05 ? 9 A 2 -ATOM 115 O O . PHE A1 1 9 ? -16.933 14.32 -15.96 1.0 33.13 ? 9 A 2 -ATOM 116 C CB . PHE A1 1 9 ? -17.352 14.027 -12.967 1.0 42.3 ? 9 A 2 -ATOM 117 C CG . PHE A1 1 9 ? -17.511 13.5 -11.57 1.0 44.44 ? 9 A 2 -ATOM 118 C CD1 . PHE A1 1 9 ? -18.673 12.848 -11.19 1.0 24.21 ? 9 A 2 -ATOM 119 C CD2 . PHE A1 1 9 ? -16.498 13.655 -10.637 1.0 24.11 ? 9 A 2 -ATOM 120 C CE1 . PHE A1 1 9 ? -18.822 12.362 -9.904 1.0 54.33 ? 9 A 2 -ATOM 121 C CE2 . PHE A1 1 9 ? -16.641 13.171 -9.35 1.0 62.43 ? 9 A 2 -ATOM 122 C CZ . PHE A1 1 9 ? -17.805 12.523 -8.984 1.0 72.21 ? 9 A 2 -ATOM 123 H H . PHE A1 1 9 ? -14.916 13.523 -14.08 1.0 15.35 ? 9 A 2 -ATOM 124 H HA . PHE A1 1 9 ? -17.422 12.021 -13.711 1.0 72.15 ? 9 A 2 -ATOM 125 H HB2 . PHE A1 1 9 ? -16.591 14.793 -12.947 1.0 13.22 ? 9 A 2 -ATOM 126 H HB3 . PHE A1 1 9 ? -18.291 14.465 -13.267 1.0 20.44 ? 9 A 2 -ATOM 127 H HD1 . PHE A1 1 9 ? -19.469 12.72 -11.908 1.0 63.23 ? 9 A 2 -ATOM 128 H HD2 . PHE A1 1 9 ? -15.587 14.162 -10.923 1.0 43.5 ? 9 A 2 -ATOM 129 H HE1 . PHE A1 1 9 ? -19.732 11.855 -9.62 1.0 53.21 ? 9 A 2 -ATOM 130 H HE2 . PHE A1 1 9 ? -15.844 13.299 -8.633 1.0 61.25 ? 9 A 2 -ATOM 131 H HZ . PHE A1 1 9 ? -17.919 12.145 -7.979 1.0 11.33 ? 9 A 2 -ATOM 132 N N . VAL A1 1 10 ? -18.394 12.609 -15.904 1.0 35.51 ? 10 A 2 -ATOM 133 C CA . VAL A1 1 10 ? -18.937 12.887 -17.228 1.0 51.35 ? 10 A 2 -ATOM 134 C C . VAL A1 1 10 ? -20.397 13.319 -17.144 1.0 20.3 ? 10 A 2 -ATOM 135 O O . VAL A1 1 10 ? -21.222 12.644 -16.528 1.0 33.54 ? 10 A 2 -ATOM 136 C CB . VAL A1 1 10 ? -18.831 11.656 -18.148 1.0 1.24 ? 10 A 2 -ATOM 137 C CG1 . VAL A1 1 10 ? -18.657 12.085 -19.597 1.0 43.55 ? 10 A 2 -ATOM 138 C CG2 . VAL A1 1 10 ? -17.683 10.76 -17.708 1.0 70.41 ? 10 A 2 -ATOM 139 H H . VAL A1 1 10 ? -18.749 11.854 -15.391 1.0 13.11 ? 10 A 2 -ATOM 140 H HA . VAL A1 1 10 ? -18.359 13.688 -17.666 1.0 52.2 ? 10 A 2 -ATOM 141 H HB . VAL A1 1 10 ? -19.749 11.093 -18.07 1.0 21.21 ? 10 A 2 -ATOM 142 H HG11 . VAL A1 1 10 ? -17.607 12.225 -19.807 1.0 75.22 ? 10 A 2 -ATOM 143 H HG12 . VAL A1 1 10 ? -19.058 11.323 -20.249 1.0 54.41 ? 10 A 2 -ATOM 144 H HG13 . VAL A1 1 10 ? -19.184 13.014 -19.762 1.0 61.31 ? 10 A 2 -ATOM 145 H HG21 . VAL A1 1 10 ? -17.407 10.102 -18.518 1.0 13.24 ? 10 A 2 -ATOM 146 H HG22 . VAL A1 1 10 ? -16.835 11.371 -17.435 1.0 62.44 ? 10 A 2 -ATOM 147 H HG23 . VAL A1 1 10 ? -17.991 10.172 -16.856 1.0 2.35 ? 10 A 2 -ATOM 148 N N . LYS A1 1 11 ? -20.71 14.45 -17.767 1.0 23.3 ? 11 A 2 -ATOM 149 C CA . LYS A1 1 11 ? -22.071 14.974 -17.765 1.0 10.31 ? 11 A 2 -ATOM 150 C C . LYS A1 1 11 ? -22.721 14.804 -19.134 1.0 22.12 ? 11 A 2 -ATOM 151 O O . LYS A1 1 11 ? -22.29 15.407 -20.118 1.0 63.21 ? 11 A 2 -ATOM 152 C CB . LYS A1 1 11 ? -22.069 16.452 -17.369 1.0 34.41 ? 11 A 2 -ATOM 153 C CG . LYS A1 1 11 ? -23.392 17.153 -17.627 1.0 63.11 ? 11 A 2 -ATOM 154 C CD . LYS A1 1 11 ? -23.331 18.621 -17.24 1.0 3.15 ? 11 A 2 -ATOM 155 C CE . LYS A1 1 11 ? -22.991 19.498 -18.435 1.0 2.52 ? 11 A 2 -ATOM 156 N NZ . LYS A1 1 11 ? -23.063 20.947 -18.097 1.0 51.12 ? 11 A 2 -ATOM 157 H H . LYS A1 1 11 ? -20.008 14.945 -18.241 1.0 4.15 ? 11 A 2 -ATOM 158 H HA . LYS A1 1 11 ? -22.64 14.416 -17.037 1.0 44.21 ? 11 A 2 -ATOM 159 H HB2 . LYS A1 1 11 ? -21.844 16.53 -16.316 1.0 75.01 ? 11 A 2 -ATOM 160 H HB3 . LYS A1 1 11 ? -21.3 16.963 -17.931 1.0 15.43 ? 11 A 2 -ATOM 161 H HG2 . LYS A1 1 11 ? -23.629 17.078 -18.678 1.0 73.24 ? 11 A 2 -ATOM 162 H HG3 . LYS A1 1 11 ? -24.165 16.668 -17.047 1.0 30.03 ? 11 A 2 -ATOM 163 H HD2 . LYS A1 1 11 ? -24.292 18.921 -16.849 1.0 63.51 ? 11 A 2 -ATOM 164 H HD3 . LYS A1 1 11 ? -22.574 18.752 -16.48 1.0 61.22 ? 11 A 2 -ATOM 165 H HE2 . LYS A1 1 11 ? -21.99 19.264 -18.764 1.0 70.24 ? 11 A 2 -ATOM 166 H HE3 . LYS A1 1 11 ? -23.69 19.288 -19.23 1.0 3.13 ? 11 A 2 -ATOM 167 H HZ1 . LYS A1 1 11 ? -22.176 21.421 -18.362 1.0 1.34 ? 11 A 2 -ATOM 168 H HZ2 . LYS A1 1 11 ? -23.216 21.068 -17.075 1.0 61.44 ? 11 A 2 -ATOM 169 H HZ3 . LYS A1 1 11 ? -23.849 21.395 -18.609 1.0 12.11 ? 11 A 2 -ATOM 170 N N . THR A1 1 12 ? -23.764 13.981 -19.191 1.0 60.33 ? 12 A 2 -ATOM 171 C CA . THR A1 1 12 ? -24.474 13.732 -20.439 1.0 63.11 ? 12 A 2 -ATOM 172 C C . THR A1 1 12 ? -25.344 14.924 -20.823 1.0 63.2 ? 12 A 2 -ATOM 173 O O . THR A1 1 12 ? -25.676 15.76 -19.982 1.0 23.14 ? 12 A 2 -ATOM 174 C CB . THR A1 1 12 ? -25.359 12.475 -20.341 1.0 13.53 ? 12 A 2 -ATOM 175 O OG1 . THR A1 1 12 ? -26.511 12.749 -19.536 1.0 44.22 ? 12 A 2 -ATOM 176 C CG2 . THR A1 1 12 ? -24.582 11.312 -19.744 1.0 44.25 ? 12 A 2 -ATOM 177 H H . THR A1 1 12 ? -24.06 13.53 -18.373 1.0 50.31 ? 12 A 2 -ATOM 178 H HA . THR A1 1 12 ? -23.739 13.57 -21.214 1.0 15.31 ? 12 A 2 -ATOM 179 H HB . THR A1 1 12 ? -25.681 12.202 -21.336 1.0 3.11 ? 12 A 2 -ATOM 180 H HG1 . THR A1 1 12 ? -27.271 12.285 -19.897 1.0 54.01 ? 12 A 2 -ATOM 181 H HG21 . THR A1 1 12 ? -24.23 11.581 -18.76 1.0 54.24 ? 12 A 2 -ATOM 182 H HG22 . THR A1 1 12 ? -23.737 11.081 -20.376 1.0 51.32 ? 12 A 2 -ATOM 183 H HG23 . THR A1 1 12 ? -25.226 10.448 -19.673 1.0 74.05 ? 12 A 2 -ATOM 184 N N . LEU A1 1 13 ? -25.711 14.995 -22.098 1.0 74.21 ? 13 A 2 -ATOM 185 C CA . LEU A1 1 13 ? -26.544 16.085 -22.594 1.0 74.52 ? 13 A 2 -ATOM 186 C C . LEU A1 1 13 ? -27.877 16.132 -21.854 1.0 25.21 ? 13 A 2 -ATOM 187 O O . LEU A1 1 13 ? -28.567 17.152 -21.858 1.0 11.35 ? 13 A 2 -ATOM 188 C CB . LEU A1 1 13 ? -26.787 15.925 -24.096 1.0 31.51 ? 13 A 2 -ATOM 189 C CG . LEU A1 1 13 ? -27.406 17.128 -24.808 1.0 30.32 ? 13 A 2 -ATOM 190 C CD1 . LEU A1 1 13 ? -26.588 17.502 -26.034 1.0 44.31 ? 13 A 2 -ATOM 191 C CD2 . LEU A1 1 13 ? -28.848 16.834 -25.196 1.0 64.01 ? 13 A 2 -ATOM 192 H H . LEU A1 1 13 ? -25.415 14.3 -22.721 1.0 42.02 ? 13 A 2 -ATOM 193 H HA . LEU A1 1 13 ? -26.016 17.011 -22.42 1.0 34.1 ? 13 A 2 -ATOM 194 H HB2 . LEU A1 1 13 ? -25.837 15.717 -24.564 1.0 62.11 ? 13 A 2 -ATOM 195 H HB3 . LEU A1 1 13 ? -27.447 15.081 -24.235 1.0 43.21 ? 13 A 2 -ATOM 196 H HG . LEU A1 1 13 ? -27.407 17.975 -24.136 1.0 45.4 ? 13 A 2 -ATOM 197 H HD11 . LEU A1 1 13 ? -25.537 17.448 -25.795 1.0 62.23 ? 13 A 2 -ATOM 198 H HD12 . LEU A1 1 13 ? -26.837 18.508 -26.339 1.0 23.44 ? 13 A 2 -ATOM 199 H HD13 . LEU A1 1 13 ? -26.811 16.817 -26.838 1.0 25.55 ? 13 A 2 -ATOM 200 H HD21 . LEU A1 1 13 ? -28.863 16.15 -26.032 1.0 62.14 ? 13 A 2 -ATOM 201 H HD22 . LEU A1 1 13 ? -29.341 17.754 -25.474 1.0 41.34 ? 13 A 2 -ATOM 202 H HD23 . LEU A1 1 13 ? -29.363 16.389 -24.357 1.0 51.42 ? 13 A 2 -ATOM 203 N N . THR A1 1 14 ? -28.233 15.021 -21.216 1.0 31.41 ? 14 A 2 -ATOM 204 C CA . THR A1 1 14 ? -29.482 14.935 -20.471 1.0 30.33 ? 14 A 2 -ATOM 205 C C . THR A1 1 14 ? -29.268 15.27 -18.999 1.0 22.13 ? 14 A 2 -ATOM 206 O O . THR A1 1 14 ? -30.153 15.061 -18.17 1.0 5.31 ? 14 A 2 -ATOM 207 C CB . THR A1 1 14 ? -30.107 13.532 -20.58 1.0 34.54 ? 14 A 2 -ATOM 208 O OG1 . THR A1 1 14 ? -29.195 12.549 -20.077 1.0 3.22 ? 14 A 2 -ATOM 209 C CG2 . THR A1 1 14 ? -30.462 13.209 -22.024 1.0 34.11 ? 14 A 2 -ATOM 210 H H . THR A1 1 14 ? -27.641 14.241 -21.25 1.0 2.31 ? 14 A 2 -ATOM 211 H HA . THR A1 1 14 ? -30.174 15.648 -20.895 1.0 25.44 ? 14 A 2 -ATOM 212 H HB . THR A1 1 14 ? -31.011 13.509 -19.989 1.0 55.24 ? 14 A 2 -ATOM 213 H HG1 . THR A1 1 14 ? -29.683 11.876 -19.596 1.0 24.42 ? 14 A 2 -ATOM 214 H HG21 . THR A1 1 14 ? -30.879 12.214 -22.078 1.0 1.02 ? 14 A 2 -ATOM 215 H HG22 . THR A1 1 14 ? -29.573 13.26 -22.634 1.0 12.23 ? 14 A 2 -ATOM 216 H HG23 . THR A1 1 14 ? -31.188 13.923 -22.384 1.0 12.42 ? 14 A 2 -ATOM 217 N N . GLY A1 1 15 ? -28.088 15.793 -18.681 1.0 61.2 ? 15 A 2 -ATOM 218 C CA . GLY A1 1 15 ? -27.779 16.149 -17.308 1.0 25.44 ? 15 A 2 -ATOM 219 C C . GLY A1 1 15 ? -27.607 14.934 -16.419 1.0 2.34 ? 15 A 2 -ATOM 220 O O . GLY A1 1 15 ? -28.309 14.782 -15.419 1.0 24.03 ? 15 A 2 -ATOM 221 H H . GLY A1 1 15 ? -27.421 15.938 -19.385 1.0 73.22 ? 15 A 2 -ATOM 222 H HA2 . GLY A1 1 15 ? -26.866 16.725 -17.294 1.0 10.15 ? 15 A 2 -ATOM 223 H HA3 . GLY A1 1 15 ? -28.583 16.756 -16.917 1.0 23.53 ? 15 A 2 -ATOM 224 N N . LYS A1 1 16 ? -26.671 14.064 -16.783 1.0 11.21 ? 16 A 2 -ATOM 225 C CA . LYS A1 1 16 ? -26.408 12.855 -16.012 1.0 34.13 ? 16 A 2 -ATOM 226 C C . LYS A1 1 16 ? -24.955 12.81 -15.55 1.0 15.24 ? 16 A 2 -ATOM 227 O O . LYS A1 1 16 ? -24.035 12.737 -16.365 1.0 50.04 ? 16 A 2 -ATOM 228 C CB . LYS A1 1 16 ? -26.727 11.613 -16.847 1.0 31.42 ? 16 A 2 -ATOM 229 C CG . LYS A1 1 16 ? -27.314 10.47 -16.037 1.0 73.35 ? 16 A 2 -ATOM 230 C CD . LYS A1 1 16 ? -26.226 9.601 -15.428 1.0 50.3 ? 16 A 2 -ATOM 231 C CE . LYS A1 1 16 ? -25.458 8.838 -16.497 1.0 52.44 ? 16 A 2 -ATOM 232 N NZ . LYS A1 1 16 ? -25.775 7.383 -16.475 1.0 2.53 ? 16 A 2 -ATOM 233 H H . LYS A1 1 16 ? -26.143 14.24 -17.591 1.0 52.54 ? 16 A 2 -ATOM 234 H HA . LYS A1 1 16 ? -27.049 12.869 -15.144 1.0 34.34 ? 16 A 2 -ATOM 235 H HB2 . LYS A1 1 16 ? -27.436 11.883 -17.616 1.0 44.24 ? 16 A 2 -ATOM 236 H HB3 . LYS A1 1 16 ? -25.818 11.265 -17.315 1.0 12.13 ? 16 A 2 -ATOM 237 H HG2 . LYS A1 1 16 ? -27.921 10.878 -15.243 1.0 3.41 ? 16 A 2 -ATOM 238 H HG3 . LYS A1 1 16 ? -27.928 9.86 -16.685 1.0 74.14 ? 16 A 2 -ATOM 239 H HD2 . LYS A1 1 16 ? -25.536 10.231 -14.886 1.0 63.23 ? 16 A 2 -ATOM 240 H HD3 . LYS A1 1 16 ? -26.68 8.894 -14.749 1.0 14.51 ? 16 A 2 -ATOM 241 H HE2 . LYS A1 1 16 ? -25.718 9.24 -17.464 1.0 44.12 ? 16 A 2 -ATOM 242 H HE3 . LYS A1 1 16 ? -24.4 8.971 -16.325 1.0 75.31 ? 16 A 2 -ATOM 243 H HZ1 . LYS A1 1 16 ? -24.961 6.835 -16.818 1.0 61.55 ? 16 A 2 -ATOM 244 H HZ2 . LYS A1 1 16 ? -26.594 7.187 -17.086 1.0 23.15 ? 16 A 2 -ATOM 245 H HZ3 . LYS A1 1 16 ? -26.0 7.081 -15.506 1.0 43.23 ? 16 A 2 -ATOM 246 N N . THR A1 1 17 ? -24.755 12.851 -14.236 1.0 33.03 ? 17 A 2 -ATOM 247 C CA . THR A1 1 17 ? -23.414 12.815 -13.666 1.0 61.21 ? 17 A 2 -ATOM 248 C C . THR A1 1 17 ? -22.965 11.381 -13.409 1.0 13.11 ? 17 A 2 -ATOM 249 O O . THR A1 1 17 ? -23.588 10.655 -12.633 1.0 32.24 ? 17 A 2 -ATOM 250 C CB . THR A1 1 17 ? -23.343 13.607 -12.347 1.0 22.54 ? 17 A 2 -ATOM 251 O OG1 . THR A1 1 17 ? -24.664 13.852 -11.851 1.0 24.32 ? 17 A 2 -ATOM 252 C CG2 . THR A1 1 17 ? -22.618 14.929 -12.548 1.0 72.42 ? 17 A 2 -ATOM 253 H H . THR A1 1 17 ? -25.528 12.909 -13.637 1.0 63.53 ? 17 A 2 -ATOM 254 H HA . THR A1 1 17 ? -22.738 13.272 -14.373 1.0 15.15 ? 17 A 2 -ATOM 255 H HB . THR A1 1 17 ? -22.797 13.021 -11.621 1.0 61.22 ? 17 A 2 -ATOM 256 H HG1 . THR A1 1 17 ? -24.741 13.502 -10.96 1.0 54.0 ? 17 A 2 -ATOM 257 H HG21 . THR A1 1 17 ? -22.926 15.369 -13.485 1.0 31.34 ? 17 A 2 -ATOM 258 H HG22 . THR A1 1 17 ? -21.552 14.757 -12.565 1.0 12.24 ? 17 A 2 -ATOM 259 H HG23 . THR A1 1 17 ? -22.862 15.601 -11.739 1.0 74.01 ? 17 A 2 -ATOM 260 N N . ILE A1 1 18 ? -21.88 10.979 -14.063 1.0 21.15 ? 18 A 2 -ATOM 261 C CA . ILE A1 1 18 ? -21.347 9.632 -13.903 1.0 42.23 ? 18 A 2 -ATOM 262 C C . ILE A1 1 18 ? -19.871 9.667 -13.524 1.0 2.02 ? 18 A 2 -ATOM 263 O O . ILE A1 1 18 ? -19.111 10.502 -14.016 1.0 34.24 ? 18 A 2 -ATOM 264 C CB . ILE A1 1 18 ? -21.516 8.803 -15.19 1.0 20.13 ? 18 A 2 -ATOM 265 C CG1 . ILE A1 1 18 ? -20.74 7.489 -15.082 1.0 0.43 ? 18 A 2 -ATOM 266 C CG2 . ILE A1 1 18 ? -21.052 9.602 -16.399 1.0 34.34 ? 18 A 2 -ATOM 267 C CD1 . ILE A1 1 18 ? -21.021 6.526 -16.214 1.0 41.12 ? 18 A 2 -ATOM 268 H H . ILE A1 1 18 ? -21.428 11.604 -14.667 1.0 72.35 ? 18 A 2 -ATOM 269 H HA . ILE A1 1 18 ? -21.9 9.147 -13.111 1.0 33.1 ? 18 A 2 -ATOM 270 H HB . ILE A1 1 18 ? -22.566 8.584 -15.315 1.0 55.23 ? 18 A 2 -ATOM 271 H HG12 . ILE A1 1 18 ? -19.682 7.702 -15.084 1.0 35.45 ? 18 A 2 -ATOM 272 H HG13 . ILE A1 1 18 ? -21.003 7.0 -14.156 1.0 15.51 ? 18 A 2 -ATOM 273 H HG21 . ILE A1 1 18 ? -20.067 10.003 -16.209 1.0 31.24 ? 18 A 2 -ATOM 274 H HG22 . ILE A1 1 18 ? -21.016 8.956 -17.264 1.0 60.32 ? 18 A 2 -ATOM 275 H HG23 . ILE A1 1 18 ? -21.742 10.412 -16.582 1.0 71.44 ? 18 A 2 -ATOM 276 H HD11 . ILE A1 1 18 ? -21.531 7.048 -17.012 1.0 32.31 ? 18 A 2 -ATOM 277 H HD12 . ILE A1 1 18 ? -20.09 6.125 -16.587 1.0 60.24 ? 18 A 2 -ATOM 278 H HD13 . ILE A1 1 18 ? -21.644 5.721 -15.856 1.0 25.35 ? 18 A 2 -ATOM 279 N N . THR A1 1 19 ? -19.469 8.751 -12.648 1.0 42.32 ? 19 A 2 -ATOM 280 C CA . THR A1 1 19 ? -18.083 8.676 -12.203 1.0 41.24 ? 19 A 2 -ATOM 281 C C . THR A1 1 19 ? -17.414 7.4 -12.701 1.0 70.21 ? 19 A 2 -ATOM 282 O O . THR A1 1 19 ? -18.003 6.319 -12.651 1.0 44.42 ? 19 A 2 -ATOM 283 C CB . THR A1 1 19 ? -17.982 8.729 -10.667 1.0 2.4 ? 19 A 2 -ATOM 284 O OG1 . THR A1 1 19 ? -19.156 9.34 -10.12 1.0 22.32 ? 19 A 2 -ATOM 285 C CG2 . THR A1 1 19 ? -16.75 9.507 -10.232 1.0 13.14 ? 19 A 2 -ATOM 286 H H . THR A1 1 19 ? -20.121 8.113 -12.292 1.0 1.15 ? 19 A 2 -ATOM 287 H HA . THR A1 1 19 ? -17.556 9.528 -12.607 1.0 65.43 ? 19 A 2 -ATOM 288 H HB . THR A1 1 19 ? -17.903 7.719 -10.291 1.0 44.24 ? 19 A 2 -ATOM 289 H HG1 . THR A1 1 19 ? -19.289 9.03 -9.221 1.0 60.25 ? 19 A 2 -ATOM 290 H HG21 . THR A1 1 19 ? -16.558 10.301 -10.938 1.0 73.33 ? 19 A 2 -ATOM 291 H HG22 . THR A1 1 19 ? -15.898 8.844 -10.197 1.0 23.45 ? 19 A 2 -ATOM 292 H HG23 . THR A1 1 19 ? -16.918 9.929 -9.252 1.0 51.03 ? 19 A 2 -ATOM 293 N N . ILE A1 1 20 ? -16.182 7.531 -13.181 1.0 2.13 ? 20 A 2 -ATOM 294 C CA . ILE A1 1 20 ? -15.433 6.387 -13.686 1.0 23.24 ? 20 A 2 -ATOM 295 C C . ILE A1 1 20 ? -13.956 6.495 -13.325 1.0 21.51 ? 20 A 2 -ATOM 296 O O . ILE A1 1 20 ? -13.335 7.541 -13.513 1.0 3.54 ? 20 A 2 -ATOM 297 C CB . ILE A1 1 20 ? -15.569 6.256 -15.214 1.0 55.55 ? 20 A 2 -ATOM 298 C CG1 . ILE A1 1 20 ? -15.619 7.64 -15.864 1.0 1.5 ? 20 A 2 -ATOM 299 C CG2 . ILE A1 1 20 ? -16.812 5.454 -15.569 1.0 1.32 ? 20 A 2 -ATOM 300 C CD1 . ILE A1 1 20 ? -14.938 7.699 -17.214 1.0 2.4 ? 20 A 2 -ATOM 301 H H . ILE A1 1 20 ? -15.766 8.418 -13.194 1.0 32.52 ? 20 A 2 -ATOM 302 H HA . ILE A1 1 20 ? -15.84 5.496 -13.23 1.0 40.32 ? 20 A 2 -ATOM 303 H HB . ILE A1 1 20 ? -14.708 5.722 -15.586 1.0 75.22 ? 20 A 2 -ATOM 304 H HG12 . ILE A1 1 20 ? -16.648 7.931 -16.0 1.0 4.24 ? 20 A 2 -ATOM 305 H HG13 . ILE A1 1 20 ? -15.131 8.352 -15.215 1.0 20.02 ? 20 A 2 -ATOM 306 H HG21 . ILE A1 1 20 ? -16.658 4.948 -16.511 1.0 41.11 ? 20 A 2 -ATOM 307 H HG22 . ILE A1 1 20 ? -17.001 4.723 -14.796 1.0 51.34 ? 20 A 2 -ATOM 308 H HG23 . ILE A1 1 20 ? -17.659 6.118 -15.651 1.0 74.34 ? 20 A 2 -ATOM 309 H HD11 . ILE A1 1 20 ? -15.155 6.795 -17.766 1.0 44.23 ? 20 A 2 -ATOM 310 H HD12 . ILE A1 1 20 ? -15.304 8.552 -17.766 1.0 43.31 ? 20 A 2 -ATOM 311 H HD13 . ILE A1 1 20 ? -13.871 7.788 -17.076 1.0 23.14 ? 20 A 2 -ATOM 312 N N . ASP A1 1 21 ? -13.398 5.406 -12.809 1.0 44.41 ? 21 A 2 -ATOM 313 C CA . ASP A1 1 21 ? -11.991 5.376 -12.424 1.0 13.43 ? 21 A 2 -ATOM 314 C C . ASP A1 1 21 ? -11.103 5.106 -13.635 1.0 74.52 ? 21 A 2 -ATOM 315 O O . ASP A1 1 21 ? -11.316 4.144 -14.372 1.0 3.25 ? 21 A 2 -ATOM 316 C CB . ASP A1 1 21 ? -11.755 4.308 -11.355 1.0 40.32 ? 21 A 2 -ATOM 317 C CG . ASP A1 1 21 ? -12.249 2.94 -11.784 1.0 70.32 ? 21 A 2 -ATOM 318 O OD1 . ASP A1 1 21 ? -13.475 2.708 -11.728 1.0 34.41 ? 21 A 2 -ATOM 319 O OD2 . ASP A1 1 21 ? -11.41 2.101 -12.174 1.0 4.34 ? 21 A 2 -ATOM 320 H H . ASP A1 1 21 ? -13.945 4.602 -12.683 1.0 61.24 ? 21 A 2 -ATOM 321 H HA . ASP A1 1 21 ? -11.738 6.343 -12.016 1.0 0.1 ? 21 A 2 -ATOM 322 H HB2 . ASP A1 1 21 ? -10.696 4.24 -11.151 1.0 73.15 ? 21 A 2 -ATOM 323 H HB3 . ASP A1 1 21 ? -12.274 4.592 -10.452 1.0 61.23 ? 21 A 2 -ATOM 324 N N . VAL A1 1 22 ? -10.107 5.964 -13.834 1.0 30.34 ? 22 A 2 -ATOM 325 C CA . VAL A1 1 22 ? -9.186 5.819 -14.955 1.0 1.34 ? 22 A 2 -ATOM 326 C C . VAL A1 1 22 ? -7.747 6.074 -14.521 1.0 61.2 ? 22 A 2 -ATOM 327 O O . VAL A1 1 22 ? -7.5 6.647 -13.459 1.0 34.03 ? 22 A 2 -ATOM 328 C CB . VAL A1 1 22 ? -9.542 6.782 -16.103 1.0 60.13 ? 22 A 2 -ATOM 329 C CG1 . VAL A1 1 22 ? -10.989 7.238 -15.987 1.0 14.0 ? 22 A 2 -ATOM 330 C CG2 . VAL A1 1 22 ? -8.597 7.974 -16.11 1.0 61.12 ? 22 A 2 -ATOM 331 H H . VAL A1 1 22 ? -9.988 6.711 -13.212 1.0 71.0 ? 22 A 2 -ATOM 332 H HA . VAL A1 1 22 ? -9.266 4.807 -15.324 1.0 41.13 ? 22 A 2 -ATOM 333 H HB . VAL A1 1 22 ? -9.428 6.253 -17.038 1.0 23.42 ? 22 A 2 -ATOM 334 H HG11 . VAL A1 1 22 ? -11.618 6.387 -15.774 1.0 3.13 ? 22 A 2 -ATOM 335 H HG12 . VAL A1 1 22 ? -11.076 7.961 -15.19 1.0 11.12 ? 22 A 2 -ATOM 336 H HG13 . VAL A1 1 22 ? -11.299 7.689 -16.918 1.0 2.3 ? 22 A 2 -ATOM 337 H HG21 . VAL A1 1 22 ? -8.987 8.739 -16.766 1.0 43.3 ? 22 A 2 -ATOM 338 H HG22 . VAL A1 1 22 ? -8.509 8.368 -15.109 1.0 71.52 ? 22 A 2 -ATOM 339 H HG23 . VAL A1 1 22 ? -7.624 7.661 -16.46 1.0 24.41 ? 22 A 2 -ATOM 340 N N . ASP A1 1 23 ? -6.8 5.644 -15.348 1.0 73.14 ? 23 A 2 -ATOM 341 C CA . ASP A1 1 23 ? -5.384 5.827 -15.05 1.0 0.33 ? 23 A 2 -ATOM 342 C C . ASP A1 1 23 ? -4.695 6.621 -16.156 1.0 62.12 ? 23 A 2 -ATOM 343 O O . ASP A1 1 23 ? -5.215 6.74 -17.266 1.0 35.34 ? 23 A 2 -ATOM 344 C CB . ASP A1 1 23 ? -4.699 4.471 -14.875 1.0 24.44 ? 23 A 2 -ATOM 345 C CG . ASP A1 1 23 ? -3.569 4.52 -13.864 1.0 11.25 ? 23 A 2 -ATOM 346 O OD1 . ASP A1 1 23 ? -3.035 5.623 -13.625 1.0 71.52 ? 23 A 2 -ATOM 347 O OD2 . ASP A1 1 23 ? -3.219 3.455 -13.313 1.0 54.12 ? 23 A 2 -ATOM 348 H H . ASP A1 1 23 ? -7.06 5.194 -16.179 1.0 71.31 ? 23 A 2 -ATOM 349 H HA . ASP A1 1 23 ? -5.308 6.381 -14.127 1.0 62.03 ? 23 A 2 -ATOM 350 H HB2 . ASP A1 1 23 ? -5.427 3.748 -14.538 1.0 75.32 ? 23 A 2 -ATOM 351 H HB3 . ASP A1 1 23 ? -4.295 4.154 -15.825 1.0 32.1 ? 23 A 2 -ATOM 352 N N . HIS A1 1 24 ? -3.521 7.162 -15.845 1.0 3.42 ? 24 A 2 -ATOM 353 C CA . HIS A1 1 24 ? -2.76 7.945 -16.813 1.0 64.1 ? 24 A 2 -ATOM 354 C C . HIS A1 1 24 ? -2.429 7.11 -18.047 1.0 13.22 ? 24 A 2 -ATOM 355 O O . HIS A1 1 24 ? -2.085 7.649 -19.098 1.0 40.32 ? 24 A 2 -ATOM 356 C CB . HIS A1 1 24 ? -1.472 8.469 -16.177 1.0 43.52 ? 24 A 2 -ATOM 357 C CG . HIS A1 1 24 ? -1.255 9.936 -16.386 1.0 63.23 ? 24 A 2 -ATOM 358 N ND1 . HIS A1 1 24 ? -0.191 10.444 -17.1 1.0 33.23 ? 24 A 2 -ATOM 359 C CD2 . HIS A1 1 24 ? -1.973 11.005 -15.971 1.0 70.35 ? 24 A 2 -ATOM 360 C CE1 . HIS A1 1 24 ? -0.263 11.763 -17.114 1.0 52.22 ? 24 A 2 -ATOM 361 N NE2 . HIS A1 1 24 ? -1.336 12.129 -16.436 1.0 51.1 ? 24 A 2 -ATOM 362 H H . HIS A1 1 24 ? -3.158 7.032 -14.945 1.0 35.01 ? 24 A 2 -ATOM 363 H HA . HIS A1 1 24 ? -3.37 8.783 -17.114 1.0 52.33 ? 24 A 2 -ATOM 364 H HB2 . HIS A1 1 24 ? -1.505 8.287 -15.113 1.0 74.33 ? 24 A 2 -ATOM 365 H HB3 . HIS A1 1 24 ? -0.629 7.943 -16.601 1.0 2.24 ? 24 A 2 -ATOM 366 H HD1 . HIS A1 1 24 ? 0.513 9.917 -17.531 1.0 61.24 ? 24 A 2 -ATOM 367 H HD2 . HIS A1 1 24 ? -2.88 10.98 -15.382 1.0 14.35 ? 24 A 2 -ATOM 368 H HE1 . HIS A1 1 24 ? 0.435 12.43 -17.598 1.0 73.24 ? 24 A 2 -ATOM 369 N N . ALA A1 1 25 ? -2.535 5.793 -17.91 1.0 63.43 ? 25 A 2 -ATOM 370 C CA . ALA A1 1 25 ? -2.248 4.885 -19.013 1.0 43.32 ? 25 A 2 -ATOM 371 C C . ALA A1 1 25 ? -3.505 4.594 -19.826 1.0 33.54 ? 25 A 2 -ATOM 372 O O . ALA A1 1 25 ? -3.491 3.762 -20.733 1.0 12.23 ? 25 A 2 -ATOM 373 C CB . ALA A1 1 25 ? -1.646 3.59 -18.488 1.0 51.34 ? 25 A 2 -ATOM 374 H H . ALA A1 1 25 ? -2.814 5.423 -17.046 1.0 55.41 ? 25 A 2 -ATOM 375 H HA . ALA A1 1 25 ? -1.519 5.358 -19.654 1.0 23.12 ? 25 A 2 -ATOM 376 H HB1 . ALA A1 1 25 ? -0.692 3.799 -18.025 1.0 42.21 ? 25 A 2 -ATOM 377 H HB2 . ALA A1 1 25 ? -2.312 3.152 -17.76 1.0 3.14 ? 25 A 2 -ATOM 378 H HB3 . ALA A1 1 25 ? -1.505 2.901 -19.307 1.0 44.44 ? 25 A 2 -ATOM 379 N N . ASP A1 1 26 ? -4.591 5.284 -19.494 1.0 53.31 ? 26 A 2 -ATOM 380 C CA . ASP A1 1 26 ? -5.857 5.1 -20.194 1.0 71.32 ? 26 A 2 -ATOM 381 C C . ASP A1 1 26 ? -6.209 6.337 -21.015 1.0 31.24 ? 26 A 2 -ATOM 382 O O . ASP A1 1 26 ? -6.357 7.433 -20.474 1.0 53.43 ? 26 A 2 -ATOM 383 C CB . ASP A1 1 26 ? -6.977 4.799 -19.196 1.0 21.1 ? 26 A 2 -ATOM 384 C CG . ASP A1 1 26 ? -6.751 3.5 -18.447 1.0 73.54 ? 26 A 2 -ATOM 385 O OD1 . ASP A1 1 26 ? -6.078 3.531 -17.396 1.0 73.22 ? 26 A 2 -ATOM 386 O OD2 . ASP A1 1 26 ? -7.246 2.452 -18.913 1.0 2.02 ? 26 A 2 -ATOM 387 H H . ASP A1 1 26 ? -4.54 5.933 -18.762 1.0 73.33 ? 26 A 2 -ATOM 388 H HA . ASP A1 1 26 ? -5.748 4.259 -20.862 1.0 35.3 ? 26 A 2 -ATOM 389 H HB2 . ASP A1 1 26 ? -7.034 5.602 -18.476 1.0 71.15 ? 26 A 2 -ATOM 390 H HB3 . ASP A1 1 26 ? -7.914 4.729 -19.728 1.0 51.4 ? 26 A 2 -ATOM 391 N N . THR A1 1 27 ? -6.342 6.153 -22.325 1.0 11.22 ? 27 A 2 -ATOM 392 C CA . THR A1 1 27 ? -6.675 7.254 -23.221 1.0 12.11 ? 27 A 2 -ATOM 393 C C . THR A1 1 27 ? -8.175 7.522 -23.229 1.0 24.55 ? 27 A 2 -ATOM 394 O O . THR A1 1 27 ? -8.961 6.728 -22.711 1.0 14.34 ? 27 A 2 -ATOM 395 C CB . THR A1 1 27 ? -6.207 6.967 -24.66 1.0 24.42 ? 27 A 2 -ATOM 396 O OG1 . THR A1 1 27 ? -6.289 5.564 -24.931 1.0 51.41 ? 27 A 2 -ATOM 397 C CG2 . THR A1 1 27 ? -4.779 7.447 -24.871 1.0 72.22 ? 27 A 2 -ATOM 398 H H . THR A1 1 27 ? -6.213 5.256 -22.696 1.0 1.33 ? 27 A 2 -ATOM 399 H HA . THR A1 1 27 ? -6.163 8.137 -22.868 1.0 54.42 ? 27 A 2 -ATOM 400 H HB . THR A1 1 27 ? -6.855 7.497 -25.345 1.0 51.23 ? 27 A 2 -ATOM 401 H HG1 . THR A1 1 27 ? -5.461 5.142 -24.69 1.0 23.44 ? 27 A 2 -ATOM 402 H HG21 . THR A1 1 27 ? -4.464 7.205 -25.875 1.0 20.21 ? 27 A 2 -ATOM 403 H HG22 . THR A1 1 27 ? -4.127 6.96 -24.162 1.0 40.31 ? 27 A 2 -ATOM 404 H HG23 . THR A1 1 27 ? -4.734 8.516 -24.727 1.0 53.14 ? 27 A 2 -ATOM 405 N N . VAL A1 1 28 ? -8.568 8.644 -23.823 1.0 70.04 ? 28 A 2 -ATOM 406 C CA . VAL A1 1 28 ? -9.976 9.016 -23.901 1.0 40.12 ? 28 A 2 -ATOM 407 C C . VAL A1 1 28 ? -10.809 7.891 -24.504 1.0 43.3 ? 28 A 2 -ATOM 408 O O . VAL A1 1 28 ? -11.861 7.532 -23.977 1.0 51.44 ? 28 A 2 -ATOM 409 C CB . VAL A1 1 28 ? -10.174 10.293 -24.739 1.0 70.14 ? 28 A 2 -ATOM 410 C CG1 . VAL A1 1 28 ? -11.568 10.862 -24.524 1.0 13.41 ? 28 A 2 -ATOM 411 C CG2 . VAL A1 1 28 ? -9.109 11.324 -24.398 1.0 73.55 ? 28 A 2 -ATOM 412 H H . VAL A1 1 28 ? -7.895 9.237 -24.218 1.0 50.23 ? 28 A 2 -ATOM 413 H HA . VAL A1 1 28 ? -10.326 9.212 -22.897 1.0 62.42 ? 28 A 2 -ATOM 414 H HB . VAL A1 1 28 ? -10.072 10.033 -25.783 1.0 52.41 ? 28 A 2 -ATOM 415 H HG11 . VAL A1 1 28 ? -12.292 10.062 -24.558 1.0 72.32 ? 28 A 2 -ATOM 416 H HG12 . VAL A1 1 28 ? -11.613 11.35 -23.562 1.0 75.12 ? 28 A 2 -ATOM 417 H HG13 . VAL A1 1 28 ? -11.787 11.578 -25.302 1.0 43.12 ? 28 A 2 -ATOM 418 H HG21 . VAL A1 1 28 ? -8.511 10.966 -23.573 1.0 22.23 ? 28 A 2 -ATOM 419 H HG22 . VAL A1 1 28 ? -8.477 11.486 -25.258 1.0 21.24 ? 28 A 2 -ATOM 420 H HG23 . VAL A1 1 28 ? -9.584 12.254 -24.121 1.0 51.43 ? 28 A 2 -ATOM 421 N N . GLY A1 1 29 ? -10.329 7.336 -25.613 1.0 51.02 ? 29 A 2 -ATOM 422 C CA . GLY A1 1 29 ? -11.042 6.256 -26.271 1.0 24.21 ? 29 A 2 -ATOM 423 C C . GLY A1 1 29 ? -11.509 5.192 -25.297 1.0 62.32 ? 29 A 2 -ATOM 424 O O . GLY A1 1 29 ? -12.671 4.787 -25.32 1.0 1.41 ? 29 A 2 -ATOM 425 H H . GLY A1 1 29 ? -9.485 7.663 -25.989 1.0 25.44 ? 29 A 2 -ATOM 426 H HA2 . GLY A1 1 29 ? -11.901 6.665 -26.781 1.0 33.14 ? 29 A 2 -ATOM 427 H HA3 . GLY A1 1 29 ? -10.387 5.799 -26.998 1.0 61.11 ? 29 A 2 -ATOM 428 N N . ALA A1 1 30 ? -10.601 4.738 -24.439 1.0 0.3 ? 30 A 2 -ATOM 429 C CA . ALA A1 1 30 ? -10.926 3.715 -23.453 1.0 24.42 ? 30 A 2 -ATOM 430 C C . ALA A1 1 30 ? -11.993 4.209 -22.482 1.0 23.15 ? 30 A 2 -ATOM 431 O O . ALA A1 1 30 ? -12.853 3.443 -22.047 1.0 23.32 ? 30 A 2 -ATOM 432 C CB . ALA A1 1 30 ? -9.675 3.294 -22.697 1.0 4.23 ? 30 A 2 -ATOM 433 H H . ALA A1 1 30 ? -9.691 5.1 -24.47 1.0 13.0 ? 30 A 2 -ATOM 434 H HA . ALA A1 1 30 ? -11.306 2.852 -23.981 1.0 42.35 ? 30 A 2 -ATOM 435 H HB1 . ALA A1 1 30 ? -9.954 2.675 -21.856 1.0 24.3 ? 30 A 2 -ATOM 436 H HB2 . ALA A1 1 30 ? -9.028 2.735 -23.356 1.0 15.25 ? 30 A 2 -ATOM 437 H HB3 . ALA A1 1 30 ? -9.157 4.172 -22.342 1.0 54.13 ? 30 A 2 -ATOM 438 N N . VAL A1 1 31 ? -11.93 5.493 -22.144 1.0 44.02 ? 31 A 2 -ATOM 439 C CA . VAL A1 1 31 ? -12.891 6.089 -21.223 1.0 44.43 ? 31 A 2 -ATOM 440 C C . VAL A1 1 31 ? -14.295 6.084 -21.816 1.0 22.33 ? 31 A 2 -ATOM 441 O O . VAL A1 1 31 ? -15.264 5.729 -21.144 1.0 41.34 ? 31 A 2 -ATOM 442 C CB . VAL A1 1 31 ? -12.502 7.536 -20.865 1.0 42.01 ? 31 A 2 -ATOM 443 C CG1 . VAL A1 1 31 ? -13.589 8.189 -20.026 1.0 61.22 ? 31 A 2 -ATOM 444 C CG2 . VAL A1 1 31 ? -11.166 7.563 -20.138 1.0 34.2 ? 31 A 2 -ATOM 445 H H . VAL A1 1 31 ? -11.221 6.053 -22.524 1.0 33.11 ? 31 A 2 -ATOM 446 H HA . VAL A1 1 31 ? -12.891 5.504 -20.316 1.0 53.53 ? 31 A 2 -ATOM 447 H HB . VAL A1 1 31 ? -12.4 8.097 -21.783 1.0 34.14 ? 31 A 2 -ATOM 448 H HG11 . VAL A1 1 31 ? -14.306 7.441 -19.721 1.0 24.43 ? 31 A 2 -ATOM 449 H HG12 . VAL A1 1 31 ? -13.145 8.642 -19.151 1.0 62.24 ? 31 A 2 -ATOM 450 H HG13 . VAL A1 1 31 ? -14.088 8.948 -20.61 1.0 4.44 ? 31 A 2 -ATOM 451 H HG21 . VAL A1 1 31 ? -10.977 6.597 -19.695 1.0 32.4 ? 31 A 2 -ATOM 452 H HG22 . VAL A1 1 31 ? -10.379 7.798 -20.84 1.0 31.51 ? 31 A 2 -ATOM 453 H HG23 . VAL A1 1 31 ? -11.192 8.316 -19.363 1.0 2.41 ? 31 A 2 -ATOM 454 N N . LYS A1 1 32 ? -14.4 6.481 -23.08 1.0 44.33 ? 32 A 2 -ATOM 455 C CA . LYS A1 1 32 ? -15.686 6.521 -23.766 1.0 33.41 ? 32 A 2 -ATOM 456 C C . LYS A1 1 32 ? -16.367 5.157 -23.725 1.0 33.52 ? 32 A 2 -ATOM 457 O O . LYS A1 1 32 ? -17.57 5.06 -23.485 1.0 55.22 ? 32 A 2 -ATOM 458 C CB . LYS A1 1 32 ? -15.499 6.966 -25.218 1.0 21.43 ? 32 A 2 -ATOM 459 C CG . LYS A1 1 32 ? -16.17 8.291 -25.539 1.0 62.04 ? 32 A 2 -ATOM 460 C CD . LYS A1 1 32 ? -15.159 9.422 -25.625 1.0 13.3 ? 32 A 2 -ATOM 461 C CE . LYS A1 1 32 ? -14.915 9.842 -27.066 1.0 61.02 ? 32 A 2 -ATOM 462 N NZ . LYS A1 1 32 ? -16.108 10.508 -27.659 1.0 10.13 ? 32 A 2 -ATOM 463 H H . LYS A1 1 32 ? -13.591 6.753 -23.564 1.0 0.43 ? 32 A 2 -ATOM 464 H HA . LYS A1 1 32 ? -16.312 7.238 -23.256 1.0 20.21 ? 32 A 2 -ATOM 465 H HB2 . LYS A1 1 32 ? -14.442 7.064 -25.418 1.0 31.13 ? 32 A 2 -ATOM 466 H HB3 . LYS A1 1 32 ? -15.912 6.21 -25.87 1.0 51.43 ? 32 A 2 -ATOM 467 H HG2 . LYS A1 1 32 ? -16.68 8.205 -26.487 1.0 34.55 ? 32 A 2 -ATOM 468 H HG3 . LYS A1 1 32 ? -16.886 8.518 -24.762 1.0 75.31 ? 32 A 2 -ATOM 469 H HD2 . LYS A1 1 32 ? -15.534 10.271 -25.073 1.0 62.53 ? 32 A 2 -ATOM 470 H HD3 . LYS A1 1 32 ? -14.225 9.092 -25.192 1.0 34.24 ? 32 A 2 -ATOM 471 H HE2 . LYS A1 1 32 ? -14.082 10.527 -27.092 1.0 32.35 ? 32 A 2 -ATOM 472 H HE3 . LYS A1 1 32 ? -14.677 8.964 -27.648 1.0 31.14 ? 32 A 2 -ATOM 473 H HZ1 . LYS A1 1 32 ? -15.845 11.439 -28.041 1.0 3.34 ? 32 A 2 -ATOM 474 H HZ2 . LYS A1 1 32 ? -16.842 10.638 -26.934 1.0 11.13 ? 32 A 2 -ATOM 475 H HZ3 . LYS A1 1 32 ? -16.496 9.927 -28.429 1.0 13.55 ? 32 A 2 -ATOM 476 N N . ALA A1 1 33 ? -15.589 4.105 -23.96 1.0 34.21 ? 33 A 2 -ATOM 477 C CA . ALA A1 1 33 ? -16.117 2.746 -23.947 1.0 60.31 ? 33 A 2 -ATOM 478 C C . ALA A1 1 33 ? -16.633 2.371 -22.562 1.0 31.03 ? 33 A 2 -ATOM 479 O O . ALA A1 1 33 ? -17.661 1.707 -22.429 1.0 31.32 ? 33 A 2 -ATOM 480 C CB . ALA A1 1 33 ? -15.05 1.761 -24.4 1.0 54.24 ? 33 A 2 -ATOM 481 H H . ALA A1 1 33 ? -14.638 4.246 -24.146 1.0 43.1 ? 33 A 2 -ATOM 482 H HA . ALA A1 1 33 ? -16.937 2.7 -24.65 1.0 53.01 ? 33 A 2 -ATOM 483 H HB1 . ALA A1 1 33 ? -14.146 1.925 -23.832 1.0 2.33 ? 33 A 2 -ATOM 484 H HB2 . ALA A1 1 33 ? -15.4 0.752 -24.238 1.0 61.23 ? 33 A 2 -ATOM 485 H HB3 . ALA A1 1 33 ? -14.847 1.908 -25.45 1.0 53.23 ? 33 A 2 -ATOM 486 N N . LYS A1 1 34 ? -15.912 2.8 -21.531 1.0 30.14 ? 34 A 2 -ATOM 487 C CA . LYS A1 1 34 ? -16.296 2.51 -20.155 1.0 3.41 ? 34 A 2 -ATOM 488 C C . LYS A1 1 34 ? -17.675 3.083 -19.843 1.0 51.04 ? 34 A 2 -ATOM 489 O O . LYS A1 1 34 ? -18.501 2.425 -19.21 1.0 30.3 ? 34 A 2 -ATOM 490 C CB . LYS A1 1 34 ? -15.262 3.084 -19.184 1.0 63.02 ? 34 A 2 -ATOM 491 C CG . LYS A1 1 34 ? -15.529 2.729 -17.731 1.0 24.43 ? 34 A 2 -ATOM 492 C CD . LYS A1 1 34 ? -15.352 1.241 -17.479 1.0 44.42 ? 34 A 2 -ATOM 493 C CE . LYS A1 1 34 ? -13.887 0.836 -17.539 1.0 34.12 ? 34 A 2 -ATOM 494 N NZ . LYS A1 1 34 ? -13.662 -0.52 -16.967 1.0 13.0 ? 34 A 2 -ATOM 495 H H . LYS A1 1 34 ? -15.101 3.325 -21.701 1.0 65.25 ? 34 A 2 -ATOM 496 H HA . LYS A1 1 34 ? -16.33 1.437 -20.039 1.0 3.22 ? 34 A 2 -ATOM 497 H HB2 . LYS A1 1 34 ? -14.286 2.706 -19.451 1.0 71.03 ? 34 A 2 -ATOM 498 H HB3 . LYS A1 1 34 ? -15.259 4.16 -19.275 1.0 71.12 ? 34 A 2 -ATOM 499 H HG2 . LYS A1 1 34 ? -14.84 3.274 -17.104 1.0 24.23 ? 34 A 2 -ATOM 500 H HG3 . LYS A1 1 34 ? -16.543 3.008 -17.483 1.0 22.21 ? 34 A 2 -ATOM 501 H HD2 . LYS A1 1 34 ? -15.739 1.002 -16.5 1.0 63.43 ? 34 A 2 -ATOM 502 H HD3 . LYS A1 1 34 ? -15.9 0.689 -18.23 1.0 75.33 ? 34 A 2 -ATOM 503 H HE2 . LYS A1 1 34 ? -13.568 0.84 -18.57 1.0 34.14 ? 34 A 2 -ATOM 504 H HE3 . LYS A1 1 34 ? -13.305 1.554 -16.98 1.0 0.12 ? 34 A 2 -ATOM 505 H HZ1 . LYS A1 1 34 ? -13.236 -1.144 -17.682 1.0 62.42 ? 34 A 2 -ATOM 506 H HZ2 . LYS A1 1 34 ? -14.566 -0.932 -16.659 1.0 14.2 ? 34 A 2 -ATOM 507 H HZ3 . LYS A1 1 34 ? -13.024 -0.462 -16.148 1.0 65.2 ? 34 A 2 -ATOM 508 N N . ILE A1 1 35 ? -17.916 4.31 -20.291 1.0 14.42 ? 35 A 2 -ATOM 509 C CA . ILE A1 1 35 ? -19.196 4.969 -20.062 1.0 22.32 ? 35 A 2 -ATOM 510 C C . ILE A1 1 35 ? -20.314 4.285 -20.841 1.0 74.31 ? 35 A 2 -ATOM 511 O O . ILE A1 1 35 ? -21.449 4.199 -20.372 1.0 33.23 ? 35 A 2 -ATOM 512 C CB . ILE A1 1 35 ? -19.143 6.456 -20.46 1.0 42.5 ? 35 A 2 -ATOM 513 C CG1 . ILE A1 1 35 ? -17.971 7.151 -19.764 1.0 22.04 ? 35 A 2 -ATOM 514 C CG2 . ILE A1 1 35 ? -20.455 7.143 -20.114 1.0 45.14 ? 35 A 2 -ATOM 515 C CD1 . ILE A1 1 35 ? -18.034 7.077 -18.254 1.0 11.1 ? 35 A 2 -ATOM 516 H H . ILE A1 1 35 ? -17.217 4.783 -20.79 1.0 54.44 ? 35 A 2 -ATOM 517 H HA . ILE A1 1 35 ? -19.417 4.907 -19.006 1.0 30.01 ? 35 A 2 -ATOM 518 H HB . ILE A1 1 35 ? -19.004 6.514 -21.528 1.0 2.44 ? 35 A 2 -ATOM 519 H HG12 . ILE A1 1 35 ? -17.048 6.69 -20.079 1.0 3.24 ? 35 A 2 -ATOM 520 H HG13 . ILE A1 1 35 ? -17.962 8.194 -20.046 1.0 0.11 ? 35 A 2 -ATOM 521 H HG21 . ILE A1 1 35 ? -21.164 6.409 -19.76 1.0 65.32 ? 35 A 2 -ATOM 522 H HG22 . ILE A1 1 35 ? -20.283 7.878 -19.342 1.0 43.1 ? 35 A 2 -ATOM 523 H HG23 . ILE A1 1 35 ? -20.849 7.63 -20.993 1.0 75.41 ? 35 A 2 -ATOM 524 H HD11 . ILE A1 1 35 ? -17.443 7.876 -17.83 1.0 43.52 ? 35 A 2 -ATOM 525 H HD12 . ILE A1 1 35 ? -19.06 7.179 -17.931 1.0 71.15 ? 35 A 2 -ATOM 526 H HD13 . ILE A1 1 35 ? -17.644 6.127 -17.923 1.0 74.3 ? 35 A 2 -ATOM 527 N N . TYR A1 1 36 ? -19.985 3.798 -22.032 1.0 62.53 ? 36 A 2 -ATOM 528 C CA . TYR A1 1 36 ? -20.962 3.122 -22.878 1.0 64.44 ? 36 A 2 -ATOM 529 C C . TYR A1 1 36 ? -21.59 1.94 -22.146 1.0 53.42 ? 36 A 2 -ATOM 530 O O . TYR A1 1 36 ? -22.807 1.756 -22.171 1.0 34.33 ? 36 A 2 -ATOM 531 C CB . TYR A1 1 36 ? -20.302 2.643 -24.172 1.0 74.42 ? 36 A 2 -ATOM 532 C CG . TYR A1 1 36 ? -20.678 1.23 -24.556 1.0 43.51 ? 36 A 2 -ATOM 533 C CD1 . TYR A1 1 36 ? -21.949 0.932 -25.032 1.0 62.31 ? 36 A 2 -ATOM 534 C CD2 . TYR A1 1 36 ? -19.761 0.191 -24.443 1.0 22.21 ? 36 A 2 -ATOM 535 C CE1 . TYR A1 1 36 ? -22.296 -0.358 -25.384 1.0 25.24 ? 36 A 2 -ATOM 536 C CE2 . TYR A1 1 36 ? -20.1 -1.101 -24.793 1.0 24.41 ? 36 A 2 -ATOM 537 C CZ . TYR A1 1 36 ? -21.369 -1.371 -25.262 1.0 51.0 ? 36 A 2 -ATOM 538 O OH . TYR A1 1 36 ? -21.71 -2.657 -25.612 1.0 31.41 ? 36 A 2 -ATOM 539 H H . TYR A1 1 36 ? -19.064 3.898 -22.352 1.0 42.53 ? 36 A 2 -ATOM 540 H HA . TYR A1 1 36 ? -21.738 3.833 -23.122 1.0 45.34 ? 36 A 2 -ATOM 541 H HB2 . TYR A1 1 36 ? -20.596 3.295 -24.98 1.0 32.41 ? 36 A 2 -ATOM 542 H HB3 . TYR A1 1 36 ? -19.229 2.682 -24.057 1.0 73.31 ? 36 A 2 -ATOM 543 H HD1 . TYR A1 1 36 ? -22.673 1.729 -25.127 1.0 14.41 ? 36 A 2 -ATOM 544 H HD2 . TYR A1 1 36 ? -18.768 0.406 -24.075 1.0 73.43 ? 36 A 2 -ATOM 545 H HE1 . TYR A1 1 36 ? -23.29 -0.569 -25.751 1.0 30.0 ? 36 A 2 -ATOM 546 H HE2 . TYR A1 1 36 ? -19.374 -1.895 -24.698 1.0 11.1 ? 36 A 2 -ATOM 547 H HH . TYR A1 1 36 ? -21.252 -2.901 -26.42 1.0 20.21 ? 36 A 2 -ATOM 548 N N . ASP A1 1 37 ? -20.751 1.142 -21.495 1.0 31.31 ? 37 A 2 -ATOM 549 C CA . ASP A1 1 37 ? -21.222 -0.022 -20.754 1.0 4.3 ? 37 A 2 -ATOM 550 C C . ASP A1 1 37 ? -21.886 0.399 -19.446 1.0 30.32 ? 37 A 2 -ATOM 551 O O . ASP A1 1 37 ? -22.812 -0.257 -18.968 1.0 62.0 ? 37 A 2 -ATOM 552 C CB . ASP A1 1 37 ? -20.06 -0.975 -20.467 1.0 35.43 ? 37 A 2 -ATOM 553 C CG . ASP A1 1 37 ? -20.407 -2.419 -20.772 1.0 34.32 ? 37 A 2 -ATOM 554 O OD1 . ASP A1 1 37 ? -21.364 -2.941 -20.163 1.0 31.12 ? 37 A 2 -ATOM 555 O OD2 . ASP A1 1 37 ? -19.722 -3.026 -21.622 1.0 3.2 ? 37 A 2 -ATOM 556 H H . ASP A1 1 37 ? -19.791 1.342 -21.512 1.0 51.42 ? 37 A 2 -ATOM 557 H HA . ASP A1 1 37 ? -21.951 -0.532 -21.365 1.0 32.24 ? 37 A 2 -ATOM 558 H HB2 . ASP A1 1 37 ? -19.212 -0.692 -21.074 1.0 43.14 ? 37 A 2 -ATOM 559 H HB3 . ASP A1 1 37 ? -19.792 -0.901 -19.423 1.0 34.23 ? 37 A 2 -ATOM 560 N N . LYS A1 1 38 ? -21.406 1.496 -18.871 1.0 33.03 ? 38 A 2 -ATOM 561 C CA . LYS A1 1 38 ? -21.952 2.005 -17.619 1.0 33.5 ? 38 A 2 -ATOM 562 C C . LYS A1 1 38 ? -23.457 2.228 -17.732 1.0 62.1 ? 38 A 2 -ATOM 563 O O . LYS A1 1 38 ? -24.219 1.831 -16.852 1.0 13.24 ? 38 A 2 -ATOM 564 C CB . LYS A1 1 38 ? -21.26 3.314 -17.232 1.0 32.13 ? 38 A 2 -ATOM 565 C CG . LYS A1 1 38 ? -20.428 3.211 -15.965 1.0 11.13 ? 38 A 2 -ATOM 566 C CD . LYS A1 1 38 ? -18.959 2.98 -16.28 1.0 55.11 ? 38 A 2 -ATOM 567 C CE . LYS A1 1 38 ? -18.649 1.5 -16.442 1.0 12.13 ? 38 A 2 -ATOM 568 N NZ . LYS A1 1 38 ? -18.084 0.912 -15.197 1.0 62.42 ? 38 A 2 -ATOM 569 H H . LYS A1 1 38 ? -20.666 1.976 -19.3 1.0 40.1 ? 38 A 2 -ATOM 570 H HA . LYS A1 1 38 ? -21.766 1.269 -16.852 1.0 13.43 ? 38 A 2 -ATOM 571 H HB2 . LYS A1 1 38 ? -20.611 3.617 -18.04 1.0 53.44 ? 38 A 2 -ATOM 572 H HB3 . LYS A1 1 38 ? -22.012 4.075 -17.081 1.0 74.35 ? 38 A 2 -ATOM 573 H HG2 . LYS A1 1 38 ? -20.525 4.129 -15.405 1.0 72.35 ? 38 A 2 -ATOM 574 H HG3 . LYS A1 1 38 ? -20.793 2.384 -15.372 1.0 65.33 ? 38 A 2 -ATOM 575 H HD2 . LYS A1 1 38 ? -18.712 3.491 -17.199 1.0 31.44 ? 38 A 2 -ATOM 576 H HD3 . LYS A1 1 38 ? -18.36 3.378 -15.473 1.0 51.13 ? 38 A 2 -ATOM 577 H HE2 . LYS A1 1 38 ? -19.561 0.98 -16.694 1.0 72.24 ? 38 A 2 -ATOM 578 H HE3 . LYS A1 1 38 ? -17.934 1.381 -17.243 1.0 52.14 ? 38 A 2 -ATOM 579 H HZ1 . LYS A1 1 38 ? -17.816 -0.08 -15.359 1.0 12.21 ? 38 A 2 -ATOM 580 H HZ2 . LYS A1 1 38 ? -18.789 0.949 -14.432 1.0 31.3 ? 38 A 2 -ATOM 581 H HZ3 . LYS A1 1 38 ? -17.241 1.443 -14.901 1.0 72.13 ? 38 A 2 -ATOM 582 N N . GLU A1 1 39 ? -23.876 2.864 -18.822 1.0 74.33 ? 39 A 2 -ATOM 583 C CA . GLU A1 1 39 ? -25.29 3.138 -19.049 1.0 31.43 ? 39 A 2 -ATOM 584 C C . GLU A1 1 39 ? -25.827 2.301 -20.206 1.0 55.55 ? 39 A 2 -ATOM 585 O O . GLU A1 1 39 ? -26.813 1.579 -20.06 1.0 44.25 ? 39 A 2 -ATOM 586 C CB . GLU A1 1 39 ? -25.504 4.625 -19.338 1.0 31.12 ? 39 A 2 -ATOM 587 C CG . GLU A1 1 39 ? -24.358 5.268 -20.1 1.0 22.34 ? 39 A 2 -ATOM 588 C CD . GLU A1 1 39 ? -24.532 6.766 -20.261 1.0 34.02 ? 39 A 2 -ATOM 589 O OE1 . GLU A1 1 39 ? -25.658 7.202 -20.577 1.0 60.52 ? 39 A 2 -ATOM 590 O OE2 . GLU A1 1 39 ? -23.541 7.502 -20.07 1.0 24.54 ? 39 A 2 -ATOM 591 H H . GLU A1 1 39 ? -23.219 3.156 -19.488 1.0 53.12 ? 39 A 2 -ATOM 592 H HA . GLU A1 1 39 ? -25.827 2.874 -18.15 1.0 24.23 ? 39 A 2 -ATOM 593 H HB2 . GLU A1 1 39 ? -26.406 4.74 -19.921 1.0 13.32 ? 39 A 2 -ATOM 594 H HB3 . GLU A1 1 39 ? -25.624 5.148 -18.4 1.0 53.15 ? 39 A 2 -ATOM 595 H HG2 . GLU A1 1 39 ? -23.438 5.084 -19.564 1.0 73.51 ? 39 A 2 -ATOM 596 H HG3 . GLU A1 1 39 ? -24.297 4.82 -21.08 1.0 55.55 ? 39 A 2 -ATOM 597 N N . GLY A1 1 40 ? -25.172 2.405 -21.358 1.0 41.31 ? 40 A 2 -ATOM 598 C CA . GLY A1 1 40 ? -25.598 1.653 -22.525 1.0 23.2 ? 40 A 2 -ATOM 599 C C . GLY A1 1 40 ? -25.921 2.548 -23.705 1.0 54.31 ? 40 A 2 -ATOM 600 O O . GLY A1 1 40 ? -26.988 2.43 -24.307 1.0 62.35 ? 40 A 2 -ATOM 601 H H . GLY A1 1 40 ? -24.392 2.996 -21.417 1.0 1.31 ? 40 A 2 -ATOM 602 H HA2 . GLY A1 1 40 ? -24.809 0.972 -22.808 1.0 42.33 ? 40 A 2 -ATOM 603 H HA3 . GLY A1 1 40 ? -26.478 1.082 -22.269 1.0 42.25 ? 40 A 2 -ATOM 604 N N . ILE A1 1 41 ? -24.999 3.446 -24.034 1.0 11.45 ? 41 A 2 -ATOM 605 C CA . ILE A1 1 41 ? -25.192 4.365 -25.149 1.0 13.21 ? 41 A 2 -ATOM 606 C C . ILE A1 1 41 ? -24.006 4.323 -26.107 1.0 73.14 ? 41 A 2 -ATOM 607 O O . ILE A1 1 41 ? -22.905 3.901 -25.754 1.0 54.03 ? 41 A 2 -ATOM 608 C CB . ILE A1 1 41 ? -25.391 5.811 -24.659 1.0 13.54 ? 41 A 2 -ATOM 609 C CG1 . ILE A1 1 41 ? -24.516 6.082 -23.433 1.0 35.25 ? 41 A 2 -ATOM 610 C CG2 . ILE A1 1 41 ? -26.856 6.065 -24.337 1.0 15.54 ? 41 A 2 -ATOM 611 C CD1 . ILE A1 1 41 ? -23.984 7.497 -23.371 1.0 51.21 ? 41 A 2 -ATOM 612 H H . ILE A1 1 41 ? -24.169 3.492 -23.515 1.0 10.31 ? 41 A 2 -ATOM 613 H HA . ILE A1 1 41 ? -26.082 4.061 -25.681 1.0 22.4 ? 41 A 2 -ATOM 614 H HB . ILE A1 1 41 ? -25.1 6.48 -25.454 1.0 2.22 ? 41 A 2 -ATOM 615 H HG12 . ILE A1 1 41 ? -25.094 5.907 -22.54 1.0 53.25 ? 41 A 2 -ATOM 616 H HG13 . ILE A1 1 41 ? -23.671 5.409 -23.448 1.0 73.21 ? 41 A 2 -ATOM 617 H HG21 . ILE A1 1 41 ? -27.049 7.128 -24.354 1.0 41.34 ? 41 A 2 -ATOM 618 H HG22 . ILE A1 1 41 ? -27.475 5.576 -25.074 1.0 35.01 ? 41 A 2 -ATOM 619 H HG23 . ILE A1 1 41 ? -27.083 5.673 -23.357 1.0 24.24 ? 41 A 2 -ATOM 620 H HD11 . ILE A1 1 41 ? -24.734 8.145 -22.941 1.0 13.35 ? 41 A 2 -ATOM 621 H HD12 . ILE A1 1 41 ? -23.095 7.521 -22.758 1.0 5.02 ? 41 A 2 -ATOM 622 H HD13 . ILE A1 1 41 ? -23.744 7.836 -24.368 1.0 73.01 ? 41 A 2 -ATOM 623 N N . PRO A1 1 42 ? -24.235 4.772 -27.351 1.0 42.01 ? 42 A 2 -ATOM 624 C CA . PRO A1 1 42 ? -23.197 4.799 -28.385 1.0 63.34 ? 42 A 2 -ATOM 625 C C . PRO A1 1 42 ? -22.121 5.841 -28.101 1.0 4.23 ? 42 A 2 -ATOM 626 O O . PRO A1 1 42 ? -22.367 7.047 -28.132 1.0 21.54 ? 42 A 2 -ATOM 627 C CB . PRO A1 1 42 ? -23.971 5.162 -29.655 1.0 63.45 ? 42 A 2 -ATOM 628 C CG . PRO A1 1 42 ? -25.17 5.901 -29.169 1.0 31.23 ? 42 A 2 -ATOM 629 C CD . PRO A1 1 42 ? -25.523 5.29 -27.841 1.0 52.22 ? 42 A 2 -ATOM 630 H HA . PRO A1 1 42 ? -22.734 3.83 -28.509 1.0 60.32 ? 42 A 2 -ATOM 631 H HB2 . PRO A1 1 42 ? -23.354 5.783 -30.29 1.0 50.23 ? 42 A 2 -ATOM 632 H HB3 . PRO A1 1 42 ? -24.249 4.262 -30.182 1.0 64.01 ? 42 A 2 -ATOM 633 H HG2 . PRO A1 1 42 ? -24.933 6.947 -29.049 1.0 0.11 ? 42 A 2 -ATOM 634 H HG3 . PRO A1 1 42 ? -25.985 5.777 -29.867 1.0 1.1 ? 42 A 2 -ATOM 635 H HD2 . PRO A1 1 42 ? -25.917 6.041 -27.173 1.0 11.32 ? 42 A 2 -ATOM 636 H HD3 . PRO A1 1 42 ? -26.235 4.488 -27.972 1.0 34.03 ? 42 A 2 -ATOM 637 N N . PRO A1 1 43 ? -20.898 5.368 -27.816 1.0 1.41 ? 43 A 2 -ATOM 638 C CA . PRO A1 1 43 ? -19.76 6.244 -27.522 1.0 62.53 ? 43 A 2 -ATOM 639 C C . PRO A1 1 43 ? -19.284 7.01 -28.751 1.0 21.35 ? 43 A 2 -ATOM 640 O O . PRO A1 1 43 ? -18.796 8.135 -28.642 1.0 73.42 ? 43 A 2 -ATOM 641 C CB . PRO A1 1 43 ? -18.678 5.271 -27.047 1.0 74.43 ? 43 A 2 -ATOM 642 C CG . PRO A1 1 43 ? -19.031 3.971 -27.684 1.0 42.11 ? 43 A 2 -ATOM 643 C CD . PRO A1 1 43 ? -20.533 3.943 -27.761 1.0 32.53 ? 43 A 2 -ATOM 644 H HA . PRO A1 1 43 ? -19.991 6.942 -26.73 1.0 3.1 ? 43 A 2 -ATOM 645 H HB2 . PRO A1 1 43 ? -17.708 5.62 -27.373 1.0 1.2 ? 43 A 2 -ATOM 646 H HB3 . PRO A1 1 43 ? -18.698 5.201 -25.97 1.0 52.2 ? 43 A 2 -ATOM 647 H HG2 . PRO A1 1 43 ? -18.603 3.918 -28.673 1.0 21.5 ? 43 A 2 -ATOM 648 H HG3 . PRO A1 1 43 ? -18.673 3.155 -27.074 1.0 41.32 ? 43 A 2 -ATOM 649 H HD2 . PRO A1 1 43 ? -20.855 3.428 -28.654 1.0 55.24 ? 43 A 2 -ATOM 650 H HD3 . PRO A1 1 43 ? -20.948 3.473 -26.882 1.0 31.14 ? 43 A 2 -ATOM 651 N N . ASP A1 1 44 ? -19.431 6.395 -29.919 1.0 54.12 ? 44 A 2 -ATOM 652 C CA . ASP A1 1 44 ? -19.017 7.021 -31.17 1.0 51.34 ? 44 A 2 -ATOM 653 C C . ASP A1 1 44 ? -19.978 8.14 -31.561 1.0 65.34 ? 44 A 2 -ATOM 654 O O . ASP A1 1 44 ? -19.655 8.983 -32.397 1.0 41.23 ? 44 A 2 -ATOM 655 C CB . ASP A1 1 44 ? -18.947 5.979 -32.287 1.0 23.35 ? 44 A 2 -ATOM 656 C CG . ASP A1 1 44 ? -18.062 6.421 -33.436 1.0 52.14 ? 44 A 2 -ATOM 657 O OD1 . ASP A1 1 44 ? -16.84 6.173 -33.372 1.0 70.43 ? 44 A 2 -ATOM 658 O OD2 . ASP A1 1 44 ? -18.591 7.015 -34.399 1.0 15.14 ? 44 A 2 -ATOM 659 H H . ASP A1 1 44 ? -19.827 5.498 -29.941 1.0 64.31 ? 44 A 2 -ATOM 660 H HA . ASP A1 1 44 ? -18.035 7.442 -31.021 1.0 72.42 ? 44 A 2 -ATOM 661 H HB2 . ASP A1 1 44 ? -18.551 5.057 -31.887 1.0 64.21 ? 44 A 2 -ATOM 662 H HB3 . ASP A1 1 44 ? -19.941 5.802 -32.67 1.0 74.33 ? 44 A 2 -ATOM 663 N N . GLN A1 1 45 ? -21.159 8.139 -30.951 1.0 24.51 ? 45 A 2 -ATOM 664 C CA . GLN A1 1 45 ? -22.166 9.154 -31.237 1.0 55.1 ? 45 A 2 -ATOM 665 C C . GLN A1 1 45 ? -22.061 10.317 -30.257 1.0 65.33 ? 45 A 2 -ATOM 666 O O . GLN A1 1 45 ? -22.663 11.37 -30.463 1.0 0.12 ? 45 A 2 -ATOM 667 C CB . GLN A1 1 45 ? -23.567 8.543 -31.174 1.0 3.33 ? 45 A 2 -ATOM 668 C CG . GLN A1 1 45 ? -24.028 7.939 -32.491 1.0 71.05 ? 45 A 2 -ATOM 669 C CD . GLN A1 1 45 ? -25.001 6.793 -32.298 1.0 50.21 ? 45 A 2 -ATOM 670 O OE1 . GLN A1 1 45 ? -26.134 6.993 -31.857 1.0 30.33 ? 45 A 2 -ATOM 671 N NE2 . GLN A1 1 45 ? -24.565 5.583 -32.628 1.0 54.11 ? 45 A 2 -ATOM 672 H H . GLN A1 1 45 ? -21.357 7.441 -30.294 1.0 33.14 ? 45 A 2 -ATOM 673 H HA . GLN A1 1 45 ? -21.989 9.523 -32.236 1.0 54.13 ? 45 A 2 -ATOM 674 H HB2 . GLN A1 1 45 ? -23.575 7.767 -30.424 1.0 72.22 ? 45 A 2 -ATOM 675 H HB3 . GLN A1 1 45 ? -24.27 9.313 -30.891 1.0 51.24 ? 45 A 2 -ATOM 676 H HG2 . GLN A1 1 45 ? -24.511 8.707 -33.075 1.0 11.31 ? 45 A 2 -ATOM 677 H HG3 . GLN A1 1 45 ? -23.164 7.572 -33.025 1.0 33.23 ? 45 A 2 -ATOM 678 H HE21 . GLN A1 1 45 ? -23.651 5.499 -32.972 1.0 35.4 ? 45 A 2 -ATOM 679 H HE22 . GLN A1 1 45 ? -25.173 4.824 -32.513 1.0 53.4 ? 45 A 2 -ATOM 680 N N . GLN A1 1 46 ? -21.292 10.119 -29.191 1.0 5.34 ? 46 A 2 -ATOM 681 C CA . GLN A1 1 46 ? -21.109 11.153 -28.179 1.0 54.21 ? 46 A 2 -ATOM 682 C C . GLN A1 1 46 ? -19.665 11.643 -28.156 1.0 23.33 ? 46 A 2 -ATOM 683 O O . GLN A1 1 46 ? -18.744 10.908 -28.512 1.0 42.0 ? 46 A 2 -ATOM 684 C CB . GLN A1 1 46 ? -21.502 10.62 -26.8 1.0 54.1 ? 46 A 2 -ATOM 685 C CG . GLN A1 1 46 ? -20.742 9.368 -26.392 1.0 63.33 ? 46 A 2 -ATOM 686 C CD . GLN A1 1 46 ? -20.699 9.174 -24.889 1.0 73.34 ? 46 A 2 -ATOM 687 O OE1 . GLN A1 1 46 ? -21.738 9.109 -24.231 1.0 62.34 ? 46 A 2 -ATOM 688 N NE2 . GLN A1 1 46 ? -19.495 9.081 -24.338 1.0 52.51 ? 46 A 2 -ATOM 689 H H . GLN A1 1 46 ? -20.838 9.258 -29.083 1.0 61.13 ? 46 A 2 -ATOM 690 H HA . GLN A1 1 46 ? -21.753 11.981 -28.431 1.0 1.54 ? 46 A 2 -ATOM 691 H HB2 . GLN A1 1 46 ? -21.311 11.387 -26.064 1.0 70.34 ? 46 A 2 -ATOM 692 H HB3 . GLN A1 1 46 ? -22.557 10.389 -26.803 1.0 24.41 ? 46 A 2 -ATOM 693 H HG2 . GLN A1 1 46 ? -21.223 8.51 -26.837 1.0 71.34 ? 46 A 2 -ATOM 694 H HG3 . GLN A1 1 46 ? -19.729 9.442 -26.76 1.0 12.44 ? 46 A 2 -ATOM 695 H HE21 . GLN A1 1 46 ? -18.712 9.143 -24.924 1.0 61.21 ? 46 A 2 -ATOM 696 H HE22 . GLN A1 1 46 ? -19.438 8.956 -23.368 1.0 54.41 ? 46 A 2 -ATOM 697 N N . ARG A1 1 47 ? -19.475 12.889 -27.736 1.0 11.31 ? 47 A 2 -ATOM 698 C CA . ARG A1 1 47 ? -18.143 13.478 -27.668 1.0 74.42 ? 47 A 2 -ATOM 699 C C . ARG A1 1 47 ? -17.946 14.226 -26.353 1.0 0.05 ? 47 A 2 -ATOM 700 O O . ARG A1 1 47 ? -18.91 14.538 -25.652 1.0 62.43 ? 47 A 2 -ATOM 701 C CB . ARG A1 1 47 ? -17.922 14.429 -28.846 1.0 53.24 ? 47 A 2 -ATOM 702 C CG . ARG A1 1 47 ? -17.348 13.749 -30.078 1.0 25.13 ? 47 A 2 -ATOM 703 C CD . ARG A1 1 47 ? -17.619 14.558 -31.337 1.0 74.31 ? 47 A 2 -ATOM 704 N NE . ARG A1 1 47 ? -16.727 14.182 -32.431 1.0 72.02 ? 47 A 2 -ATOM 705 C CZ . ARG A1 1 47 ? -16.885 14.597 -33.683 1.0 4.33 ? 47 A 2 -ATOM 706 N NH1 . ARG A1 1 47 ? -17.895 15.396 -33.998 1.0 22.33 ? 47 A 2 -ATOM 707 N NH2 . ARG A1 1 47 ? -16.032 14.212 -34.623 1.0 24.44 ? 47 A 2 -ATOM 708 H H . ARG A1 1 47 ? -20.249 13.426 -27.465 1.0 14.32 ? 47 A 2 -ATOM 709 H HA . ARG A1 1 47 ? -17.423 12.676 -27.724 1.0 52.1 ? 47 A 2 -ATOM 710 H HB2 . ARG A1 1 47 ? -18.868 14.875 -29.116 1.0 12.43 ? 47 A 2 -ATOM 711 H HB3 . ARG A1 1 47 ? -17.24 15.208 -28.54 1.0 31.22 ? 47 A 2 -ATOM 712 H HG2 . ARG A1 1 47 ? -16.281 13.643 -29.955 1.0 2.15 ? 47 A 2 -ATOM 713 H HG3 . ARG A1 1 47 ? -17.8 12.774 -30.182 1.0 3.22 ? 47 A 2 -ATOM 714 H HD2 . ARG A1 1 47 ? -18.641 14.389 -31.644 1.0 62.34 ? 47 A 2 -ATOM 715 H HD3 . ARG A1 1 47 ? -17.479 15.605 -31.114 1.0 4.32 ? 47 A 2 -ATOM 716 H HE . ARG A1 1 47 ? -15.975 13.592 -32.221 1.0 51.12 ? 47 A 2 -ATOM 717 H HH11 . ARG A1 1 47 ? -18.539 15.689 -33.292 1.0 35.02 ? 47 A 2 -ATOM 718 H HH12 . ARG A1 1 47 ? -18.011 15.708 -34.941 1.0 42.25 ? 47 A 2 -ATOM 719 H HH21 . ARG A1 1 47 ? -15.269 13.609 -34.39 1.0 32.54 ? 47 A 2 -ATOM 720 H HH22 . ARG A1 1 47 ? -16.151 14.524 -35.565 1.0 51.04 ? 47 A 2 -ATOM 721 N N . LEU A1 1 48 ? -16.691 14.51 -26.023 1.0 13.42 ? 48 A 2 -ATOM 722 C CA . LEU A1 1 48 ? -16.366 15.221 -24.791 1.0 63.04 ? 48 A 2 -ATOM 723 C C . LEU A1 1 48 ? -16.012 16.677 -25.079 1.0 70.54 ? 48 A 2 -ATOM 724 O O . LEU A1 1 48 ? -15.464 16.995 -26.135 1.0 13.22 ? 48 A 2 -ATOM 725 C CB . LEU A1 1 48 ? -15.202 14.534 -24.074 1.0 73.22 ? 48 A 2 -ATOM 726 C CG . LEU A1 1 48 ? -15.157 13.009 -24.177 1.0 23.01 ? 48 A 2 -ATOM 727 C CD1 . LEU A1 1 48 ? -16.555 12.424 -24.054 1.0 2.23 ? 48 A 2 -ATOM 728 C CD2 . LEU A1 1 48 ? -14.511 12.582 -25.487 1.0 62.5 ? 48 A 2 -ATOM 729 H H . LEU A1 1 48 ? -15.965 14.236 -26.621 1.0 13.1 ? 48 A 2 -ATOM 730 H HA . LEU A1 1 48 ? -17.237 15.194 -24.153 1.0 5.14 ? 48 A 2 -ATOM 731 H HB2 . LEU A1 1 48 ? -14.284 14.921 -24.489 1.0 14.35 ? 48 A 2 -ATOM 732 H HB3 . LEU A1 1 48 ? -15.26 14.795 -23.027 1.0 62.22 ? 48 A 2 -ATOM 733 H HG . LEU A1 1 48 ? -14.559 12.618 -23.365 1.0 74.12 ? 48 A 2 -ATOM 734 H HD11 . LEU A1 1 48 ? -17.179 13.099 -23.488 1.0 72.12 ? 48 A 2 -ATOM 735 H HD12 . LEU A1 1 48 ? -16.503 11.471 -23.547 1.0 51.52 ? 48 A 2 -ATOM 736 H HD13 . LEU A1 1 48 ? -16.975 12.285 -25.039 1.0 50.13 ? 48 A 2 -ATOM 737 H HD21 . LEU A1 1 48 ? -15.28 12.384 -26.219 1.0 32.51 ? 48 A 2 -ATOM 738 H HD22 . LEU A1 1 48 ? -13.928 11.687 -25.326 1.0 4.35 ? 48 A 2 -ATOM 739 H HD23 . LEU A1 1 48 ? -13.867 13.372 -25.845 1.0 44.23 ? 48 A 2 -ATOM 740 N N . ILE A1 1 49 ? -16.329 17.555 -24.134 1.0 13.31 ? 49 A 2 -ATOM 741 C CA . ILE A1 1 49 ? -16.041 18.976 -24.286 1.0 13.25 ? 49 A 2 -ATOM 742 C C . ILE A1 1 49 ? -15.541 19.578 -22.977 1.0 73.24 ? 49 A 2 -ATOM 743 O O . ILE A1 1 49 ? -16.186 19.453 -21.936 1.0 20.41 ? 49 A 2 -ATOM 744 C CB . ILE A1 1 49 ? -17.284 19.755 -24.754 1.0 42.12 ? 49 A 2 -ATOM 745 C CG1 . ILE A1 1 49 ? -17.398 19.708 -26.279 1.0 21.4 ? 49 A 2 -ATOM 746 C CG2 . ILE A1 1 49 ? -17.222 21.195 -24.267 1.0 44.11 ? 49 A 2 -ATOM 747 C CD1 . ILE A1 1 49 ? -18.579 18.9 -26.772 1.0 30.32 ? 49 A 2 -ATOM 748 H H . ILE A1 1 49 ? -16.765 17.24 -23.315 1.0 11.12 ? 49 A 2 -ATOM 749 H HA . ILE A1 1 49 ? -15.271 19.082 -25.036 1.0 31.54 ? 49 A 2 -ATOM 750 H HB . ILE A1 1 49 ? -18.157 19.291 -24.32 1.0 10.22 ? 49 A 2 -ATOM 751 H HG12 . ILE A1 1 49 ? -17.503 20.712 -26.658 1.0 52.53 ? 49 A 2 -ATOM 752 H HG13 . ILE A1 1 49 ? -16.5 19.266 -26.686 1.0 23.14 ? 49 A 2 -ATOM 753 H HG21 . ILE A1 1 49 ? -17.876 21.808 -24.87 1.0 54.41 ? 49 A 2 -ATOM 754 H HG22 . ILE A1 1 49 ? -17.538 21.24 -23.235 1.0 2.4 ? 49 A 2 -ATOM 755 H HG23 . ILE A1 1 49 ? -16.209 21.56 -24.35 1.0 53.42 ? 49 A 2 -ATOM 756 H HD11 . ILE A1 1 49 ? -18.307 18.384 -27.681 1.0 43.14 ? 49 A 2 -ATOM 757 H HD12 . ILE A1 1 49 ? -18.861 18.178 -26.02 1.0 61.33 ? 49 A 2 -ATOM 758 H HD13 . ILE A1 1 49 ? -19.41 19.56 -26.968 1.0 3.14 ? 49 A 2 -ATOM 759 N N . PHE A1 1 50 ? -14.387 20.235 -23.037 1.0 0.44 ? 50 A 2 -ATOM 760 C CA . PHE A1 1 50 ? -13.8 20.858 -21.857 1.0 63.4 ? 50 A 2 -ATOM 761 C C . PHE A1 1 50 ? -13.666 22.366 -22.048 1.0 34.31 ? 50 A 2 -ATOM 762 O O . PHE A1 1 50 ? -12.835 22.834 -22.825 1.0 24.03 ? 50 A 2 -ATOM 763 C CB . PHE A1 1 50 ? -12.429 20.247 -21.56 1.0 1.31 ? 50 A 2 -ATOM 764 C CG . PHE A1 1 50 ? -11.893 20.608 -20.204 1.0 63.44 ? 50 A 2 -ATOM 765 C CD1 . PHE A1 1 50 ? -12.451 20.066 -19.058 1.0 63.22 ? 50 A 2 -ATOM 766 C CD2 . PHE A1 1 50 ? -10.831 21.488 -20.076 1.0 31.12 ? 50 A 2 -ATOM 767 C CE1 . PHE A1 1 50 ? -11.96 20.395 -17.808 1.0 44.05 ? 50 A 2 -ATOM 768 C CE2 . PHE A1 1 50 ? -10.335 21.821 -18.829 1.0 53.14 ? 50 A 2 -ATOM 769 C CZ . PHE A1 1 50 ? -10.901 21.274 -17.694 1.0 64.24 ? 50 A 2 -ATOM 770 H H . PHE A1 1 50 ? -13.919 20.301 -23.896 1.0 32.43 ? 50 A 2 -ATOM 771 H HA . PHE A1 1 50 ? -14.457 20.67 -21.022 1.0 55.42 ? 50 A 2 -ATOM 772 H HB2 . PHE A1 1 50 ? -12.503 19.172 -21.612 1.0 72.21 ? 50 A 2 -ATOM 773 H HB3 . PHE A1 1 50 ? -11.722 20.591 -22.3 1.0 52.42 ? 50 A 2 -ATOM 774 H HD1 . PHE A1 1 50 ? -13.28 19.378 -19.146 1.0 64.41 ? 50 A 2 -ATOM 775 H HD2 . PHE A1 1 50 ? -10.388 21.917 -20.963 1.0 25.0 ? 50 A 2 -ATOM 776 H HE1 . PHE A1 1 50 ? -12.405 19.966 -16.923 1.0 33.34 ? 50 A 2 -ATOM 777 H HE2 . PHE A1 1 50 ? -9.507 22.509 -18.743 1.0 34.14 ? 50 A 2 -ATOM 778 H HZ . PHE A1 1 50 ? -10.515 21.532 -16.719 1.0 42.2 ? 50 A 2 -ATOM 779 N N . GLY A1 1 51 ? -14.493 23.123 -21.333 1.0 53.44 ? 51 A 2 -ATOM 780 C CA . GLY A1 1 51 ? -14.453 24.57 -21.438 1.0 33.5 ? 51 A 2 -ATOM 781 C C . GLY A1 1 51 ? -15.044 25.074 -22.739 1.0 34.32 ? 51 A 2 -ATOM 782 O O . GLY A1 1 51 ? -15.134 26.28 -22.963 1.0 0.02 ? 51 A 2 -ATOM 783 H H . GLY A1 1 51 ? -15.136 22.695 -20.729 1.0 14.34 ? 51 A 2 -ATOM 784 H HA2 . GLY A1 1 51 ? -15.007 24.995 -20.614 1.0 71.3 ? 51 A 2 -ATOM 785 H HA3 . GLY A1 1 51 ? -13.425 24.895 -21.373 1.0 2.33 ? 51 A 2 -ATOM 786 N N . GLY A1 1 52 ? -15.447 24.146 -23.603 1.0 51.33 ? 52 A 2 -ATOM 787 C CA . GLY A1 1 52 ? -16.026 24.523 -24.879 1.0 70.11 ? 52 A 2 -ATOM 788 C C . GLY A1 1 52 ? -15.383 23.796 -26.044 1.0 64.35 ? 52 A 2 -ATOM 789 O O . GLY A1 1 52 ? -16.0 23.624 -27.095 1.0 21.12 ? 52 A 2 -ATOM 790 H H . GLY A1 1 52 ? -15.351 23.199 -23.371 1.0 52.33 ? 52 A 2 -ATOM 791 H HA2 . GLY A1 1 52 ? -17.081 24.295 -24.865 1.0 34.31 ? 52 A 2 -ATOM 792 H HA3 . GLY A1 1 52 ? -15.899 25.586 -25.019 1.0 33.12 ? 52 A 2 -ATOM 793 N N . LYS A1 1 53 ? -14.138 23.37 -25.859 1.0 4.12 ? 53 A 2 -ATOM 794 C CA . LYS A1 1 53 ? -13.409 22.659 -26.902 1.0 20.15 ? 53 A 2 -ATOM 795 C C . LYS A1 1 53 ? -13.578 21.15 -26.752 1.0 12.34 ? 53 A 2 -ATOM 796 O O . LYS A1 1 53 ? -13.666 20.636 -25.637 1.0 53.3 ? 53 A 2 -ATOM 797 C CB . LYS A1 1 53 ? -11.924 23.024 -26.856 1.0 12.13 ? 53 A 2 -ATOM 798 C CG . LYS A1 1 53 ? -11.262 22.71 -25.525 1.0 34.42 ? 53 A 2 -ATOM 799 C CD . LYS A1 1 53 ? -10.633 21.327 -25.528 1.0 44.0 ? 53 A 2 -ATOM 800 C CE . LYS A1 1 53 ? -9.496 21.234 -26.535 1.0 75.53 ? 53 A 2 -ATOM 801 N NZ . LYS A1 1 53 ? -8.188 20.974 -25.873 1.0 61.53 ? 53 A 2 -ATOM 802 H H . LYS A1 1 53 ? -13.699 23.538 -24.999 1.0 32.12 ? 53 A 2 -ATOM 803 H HA . LYS A1 1 53 ? -13.816 22.961 -27.856 1.0 74.23 ? 53 A 2 -ATOM 804 H HB2 . LYS A1 1 53 ? -11.406 22.477 -27.63 1.0 34.02 ? 53 A 2 -ATOM 805 H HB3 . LYS A1 1 53 ? -11.82 24.083 -27.044 1.0 32.22 ? 53 A 2 -ATOM 806 H HG2 . LYS A1 1 53 ? -10.493 23.443 -25.334 1.0 24.24 ? 53 A 2 -ATOM 807 H HG3 . LYS A1 1 53 ? -12.007 22.755 -24.743 1.0 53.0 ? 53 A 2 -ATOM 808 H HD2 . LYS A1 1 53 ? -10.244 21.116 -24.543 1.0 22.42 ? 53 A 2 -ATOM 809 H HD3 . LYS A1 1 53 ? -11.388 20.598 -25.783 1.0 0.05 ? 53 A 2 -ATOM 810 H HE2 . LYS A1 1 53 ? -9.708 20.431 -27.224 1.0 25.2 ? 53 A 2 -ATOM 811 H HE3 . LYS A1 1 53 ? -9.436 22.166 -27.077 1.0 75.24 ? 53 A 2 -ATOM 812 H HZ1 . LYS A1 1 53 ? -8.331 20.417 -25.006 1.0 1.33 ? 53 A 2 -ATOM 813 H HZ2 . LYS A1 1 53 ? -7.729 21.873 -25.623 1.0 14.14 ? 53 A 2 -ATOM 814 H HZ3 . LYS A1 1 53 ? -7.563 20.445 -26.513 1.0 31.25 ? 53 A 2 -ATOM 815 N N . GLN A1 1 54 ? -13.62 20.448 -27.88 1.0 32.1 ? 54 A 2 -ATOM 816 C CA . GLN A1 1 54 ? -13.777 18.999 -27.871 1.0 3.14 ? 54 A 2 -ATOM 817 C C . GLN A1 1 54 ? -12.493 18.315 -27.415 1.0 14.5 ? 54 A 2 -ATOM 818 O O . GLN A1 1 54 ? -11.42 18.92 -27.417 1.0 22.04 ? 54 A 2 -ATOM 819 C CB . GLN A1 1 54 ? -14.168 18.499 -29.263 1.0 14.03 ? 54 A 2 -ATOM 820 C CG . GLN A1 1 54 ? -15.381 17.583 -29.262 1.0 52.41 ? 54 A 2 -ATOM 821 C CD . GLN A1 1 54 ? -15.005 16.116 -29.308 1.0 44.23 ? 54 A 2 -ATOM 822 O OE1 . GLN A1 1 54 ? -14.949 15.445 -28.276 1.0 25.33 ? 54 A 2 -ATOM 823 N NE2 . GLN A1 1 54 ? -14.745 15.608 -30.507 1.0 63.1 ? 54 A 2 -ATOM 824 H H . GLN A1 1 54 ? -13.545 20.916 -28.737 1.0 52.11 ? 54 A 2 -ATOM 825 H HA . GLN A1 1 54 ? -14.566 18.755 -27.177 1.0 62.04 ? 54 A 2 -ATOM 826 H HB2 . GLN A1 1 54 ? -14.387 19.35 -29.89 1.0 31.24 ? 54 A 2 -ATOM 827 H HB3 . GLN A1 1 54 ? -13.335 17.956 -29.685 1.0 25.42 ? 54 A 2 -ATOM 828 H HG2 . GLN A1 1 54 ? -15.953 17.765 -28.364 1.0 52.11 ? 54 A 2 -ATOM 829 H HG3 . GLN A1 1 54 ? -15.989 17.811 -30.126 1.0 53.52 ? 54 A 2 -ATOM 830 H HE21 . GLN A1 1 54 ? -14.808 16.202 -31.284 1.0 45.55 ? 54 A 2 -ATOM 831 H HE22 . GLN A1 1 54 ? -14.498 14.662 -30.565 1.0 62.42 ? 54 A 2 -ATOM 832 N N . LEU A1 1 55 ? -12.609 17.051 -27.023 1.0 51.34 ? 55 A 2 -ATOM 833 C CA . LEU A1 1 55 ? -11.456 16.284 -26.562 1.0 40.45 ? 55 A 2 -ATOM 834 C C . LEU A1 1 55 ? -11.183 15.103 -27.489 1.0 63.5 ? 55 A 2 -ATOM 835 O O . LEU A1 1 55 ? -12.068 14.29 -27.75 1.0 52.11 ? 55 A 2 -ATOM 836 C CB . LEU A1 1 55 ? -11.688 15.784 -25.135 1.0 25.03 ? 55 A 2 -ATOM 837 C CG . LEU A1 1 55 ? -12.159 16.832 -24.126 1.0 41.33 ? 55 A 2 -ATOM 838 C CD1 . LEU A1 1 55 ? -12.184 16.246 -22.722 1.0 33.24 ? 55 A 2 -ATOM 839 C CD2 . LEU A1 1 55 ? -11.263 18.061 -24.176 1.0 52.23 ? 55 A 2 -ATOM 840 H H . LEU A1 1 55 ? -13.489 16.623 -27.043 1.0 12.34 ? 55 A 2 -ATOM 841 H HA . LEU A1 1 55 ? -10.598 16.939 -26.571 1.0 22.21 ? 55 A 2 -ATOM 842 H HB2 . LEU A1 1 55 ? -12.434 15.005 -25.175 1.0 55.1 ? 55 A 2 -ATOM 843 H HB3 . LEU A1 1 55 ? -10.757 15.371 -24.775 1.0 51.11 ? 55 A 2 -ATOM 844 H HG . LEU A1 1 55 ? -13.164 17.139 -24.377 1.0 72.12 ? 55 A 2 -ATOM 845 H HD11 . LEU A1 1 55 ? -12.015 17.032 -22.001 1.0 32.04 ? 55 A 2 -ATOM 846 H HD12 . LEU A1 1 55 ? -11.41 15.499 -22.63 1.0 44.35 ? 55 A 2 -ATOM 847 H HD13 . LEU A1 1 55 ? -13.147 15.791 -22.54 1.0 32.21 ? 55 A 2 -ATOM 848 H HD21 . LEU A1 1 55 ? -11.808 18.885 -24.613 1.0 33.14 ? 55 A 2 -ATOM 849 H HD22 . LEU A1 1 55 ? -10.392 17.846 -24.777 1.0 72.01 ? 55 A 2 -ATOM 850 H HD23 . LEU A1 1 55 ? -10.954 18.323 -23.175 1.0 74.33 ? 55 A 2 -ATOM 851 N N . GLU A1 1 56 ? -9.951 15.016 -27.98 1.0 12.02 ? 56 A 2 -ATOM 852 C CA . GLU A1 1 56 ? -9.561 13.934 -28.876 1.0 31.33 ? 56 A 2 -ATOM 853 C C . GLU A1 1 56 ? -9.496 12.605 -28.128 1.0 62.51 ? 56 A 2 -ATOM 854 O O . GLU A1 1 56 ? -9.843 12.526 -26.949 1.0 51.02 ? 56 A 2 -ATOM 855 C CB . GLU A1 1 56 ? -8.206 14.236 -29.519 1.0 62.01 ? 56 A 2 -ATOM 856 C CG . GLU A1 1 56 ? -8.231 14.199 -31.038 1.0 21.02 ? 56 A 2 -ATOM 857 C CD . GLU A1 1 56 ? -7.542 15.396 -31.662 1.0 1.0 ? 56 A 2 -ATOM 858 O OE1 . GLU A1 1 56 ? -7.759 16.526 -31.177 1.0 61.34 ? 56 A 2 -ATOM 859 O OE2 . GLU A1 1 56 ? -6.785 15.203 -32.636 1.0 22.01 ? 56 A 2 -ATOM 860 H H . GLU A1 1 56 ? -9.289 15.696 -27.735 1.0 72.43 ? 56 A 2 -ATOM 861 H HA . GLU A1 1 56 ? -10.309 13.86 -29.652 1.0 4.21 ? 56 A 2 -ATOM 862 H HB2 . GLU A1 1 56 ? -7.886 15.22 -29.208 1.0 41.11 ? 56 A 2 -ATOM 863 H HB3 . GLU A1 1 56 ? -7.487 13.508 -29.174 1.0 51.02 ? 56 A 2 -ATOM 864 H HG2 . GLU A1 1 56 ? -7.731 13.301 -31.371 1.0 71.31 ? 56 A 2 -ATOM 865 H HG3 . GLU A1 1 56 ? -9.259 14.181 -31.368 1.0 60.44 ? 56 A 2 -ATOM 866 N N . ASP A1 1 57 ? -9.051 11.564 -28.822 1.0 71.03 ? 57 A 2 -ATOM 867 C CA . ASP A1 1 57 ? -8.94 10.238 -28.225 1.0 63.41 ? 57 A 2 -ATOM 868 C C . ASP A1 1 57 ? -7.794 10.19 -27.218 1.0 21.4 ? 57 A 2 -ATOM 869 O O . ASP A1 1 57 ? -7.765 9.331 -26.337 1.0 43.31 ? 57 A 2 -ATOM 870 C CB . ASP A1 1 57 ? -8.726 9.182 -29.311 1.0 45.31 ? 57 A 2 -ATOM 871 C CG . ASP A1 1 57 ? -9.517 9.478 -30.569 1.0 55.43 ? 57 A 2 -ATOM 872 O OD1 . ASP A1 1 57 ? -10.674 9.932 -30.449 1.0 72.35 ? 57 A 2 -ATOM 873 O OD2 . ASP A1 1 57 ? -8.98 9.254 -31.675 1.0 15.11 ? 57 A 2 -ATOM 874 H H . ASP A1 1 57 ? -8.789 11.69 -29.758 1.0 23.12 ? 57 A 2 -ATOM 875 H HA . ASP A1 1 57 ? -9.864 10.028 -27.709 1.0 62.14 ? 57 A 2 -ATOM 876 H HB2 . ASP A1 1 57 ? -7.677 9.146 -29.567 1.0 24.44 ? 57 A 2 -ATOM 877 H HB3 . ASP A1 1 57 ? -9.033 8.218 -28.932 1.0 64.03 ? 57 A 2 -ATOM 878 N N . SER A1 1 58 ? -6.852 11.117 -27.357 1.0 32.51 ? 58 A 2 -ATOM 879 C CA . SER A1 1 58 ? -5.701 11.177 -26.463 1.0 62.24 ? 58 A 2 -ATOM 880 C C . SER A1 1 58 ? -5.776 12.407 -25.563 1.0 2.12 ? 58 A 2 -ATOM 881 O O . SER A1 1 58 ? -4.859 12.682 -24.791 1.0 12.21 ? 58 A 2 -ATOM 882 C CB . SER A1 1 58 ? -4.402 11.2 -27.27 1.0 65.11 ? 58 A 2 -ATOM 883 O OG . SER A1 1 58 ? -3.28 10.971 -26.437 1.0 34.21 ? 58 A 2 -ATOM 884 H H . SER A1 1 58 ? -6.932 11.775 -28.079 1.0 21.03 ? 58 A 2 -ATOM 885 H HA . SER A1 1 58 ? -5.716 10.292 -25.844 1.0 33.55 ? 58 A 2 -ATOM 886 H HB2 . SER A1 1 58 ? -4.437 10.43 -28.026 1.0 31.42 ? 58 A 2 -ATOM 887 H HB3 . SER A1 1 58 ? -4.293 12.165 -27.744 1.0 40.4 ? 58 A 2 -ATOM 888 H HG . SER A1 1 58 ? -2.998 10.057 -26.522 1.0 10.23 ? 58 A 2 -ATOM 889 N N . ASN A1 1 59 ? -6.877 13.145 -25.671 1.0 35.41 ? 59 A 2 -ATOM 890 C CA . ASN A1 1 59 ? -7.073 14.347 -24.868 1.0 52.34 ? 59 A 2 -ATOM 891 C C . ASN A1 1 59 ? -7.594 13.994 -23.478 1.0 4.01 ? 59 A 2 -ATOM 892 O O . ASN A1 1 59 ? -8.772 14.187 -23.179 1.0 42.21 ? 59 A 2 -ATOM 893 C CB . ASN A1 1 59 ? -8.048 15.297 -25.565 1.0 21.1 ? 59 A 2 -ATOM 894 C CG . ASN A1 1 59 ? -8.159 16.634 -24.856 1.0 14.54 ? 59 A 2 -ATOM 895 O OD1 . ASN A1 1 59 ? -8.675 16.717 -23.742 1.0 24.42 ? 59 A 2 -ATOM 896 N ND2 . ASN A1 1 59 ? -7.673 17.687 -25.502 1.0 14.44 ? 59 A 2 -ATOM 897 H H . ASN A1 1 59 ? -7.574 12.875 -26.305 1.0 5.51 ? 59 A 2 -ATOM 898 H HA . ASN A1 1 59 ? -6.116 14.837 -24.767 1.0 74.51 ? 59 A 2 -ATOM 899 H HB2 . ASN A1 1 59 ? -7.709 15.475 -26.575 1.0 43.43 ? 59 A 2 -ATOM 900 H HB3 . ASN A1 1 59 ? -9.027 14.843 -25.593 1.0 11.21 ? 59 A 2 -ATOM 901 H HD21 . ASN A1 1 59 ? -7.276 17.546 -26.387 1.0 21.33 ? 59 A 2 -ATOM 902 H HD22 . ASN A1 1 59 ? -7.731 18.564 -25.067 1.0 12.0 ? 59 A 2 -ATOM 903 N N . ALA A1 1 60 ? -6.708 13.477 -22.634 1.0 13.11 ? 60 A 2 -ATOM 904 C CA . ALA A1 1 60 ? -7.077 13.099 -21.275 1.0 35.51 ? 60 A 2 -ATOM 905 C C . ALA A1 1 60 ? -5.84 12.853 -20.418 1.0 74.01 ? 60 A 2 -ATOM 906 O O . ALA A1 1 60 ? -5.336 13.764 -19.763 1.0 74.24 ? 60 A 2 -ATOM 907 C CB . ALA A1 1 60 ? -7.964 11.863 -21.293 1.0 64.13 ? 60 A 2 -ATOM 908 H H . ALA A1 1 60 ? -5.783 13.347 -22.931 1.0 31.12 ? 60 A 2 -ATOM 909 H HA . ALA A1 1 60 ? -7.644 13.913 -20.845 1.0 20.01 ? 60 A 2 -ATOM 910 H HB1 . ALA A1 1 60 ? -7.491 11.09 -21.882 1.0 72.33 ? 60 A 2 -ATOM 911 H HB2 . ALA A1 1 60 ? -8.109 11.509 -20.284 1.0 25.02 ? 60 A 2 -ATOM 912 H HB3 . ALA A1 1 60 ? -8.92 12.113 -21.728 1.0 51.02 ? 60 A 2 -ATOM 913 N N . MET A1 1 61 ? -5.357 11.615 -20.428 1.0 21.52 ? 61 A 2 -ATOM 914 C CA . MET A1 1 61 ? -4.178 11.249 -19.651 1.0 32.03 ? 61 A 2 -ATOM 915 C C . MET A1 1 61 ? -3.027 12.212 -19.925 1.0 55.14 ? 61 A 2 -ATOM 916 O O . MET A1 1 61 ? -2.408 12.734 -18.997 1.0 73.23 ? 61 A 2 -ATOM 917 C CB . MET A1 1 61 ? -3.749 9.817 -19.978 1.0 33.12 ? 61 A 2 -ATOM 918 C CG . MET A1 1 61 ? -4.044 9.407 -21.411 1.0 10.31 ? 61 A 2 -ATOM 919 S SD . MET A1 1 61 ? -2.828 8.248 -22.066 1.0 3.45 ? 61 A 2 -ATOM 920 C CE . MET A1 1 61 ? -1.469 9.355 -22.435 1.0 11.34 ? 61 A 2 -ATOM 921 H H . MET A1 1 61 ? -5.802 10.931 -20.97 1.0 44.35 ? 61 A 2 -ATOM 922 H HA . MET A1 1 61 ? -4.439 11.307 -18.605 1.0 14.21 ? 61 A 2 -ATOM 923 H HB2 . MET A1 1 61 ? -2.686 9.725 -19.811 1.0 14.23 ? 61 A 2 -ATOM 924 H HB3 . MET A1 1 61 ? -4.269 9.139 -19.318 1.0 0.24 ? 61 A 2 -ATOM 925 H HG2 . MET A1 1 61 ? -5.018 8.942 -21.446 1.0 62.14 ? 61 A 2 -ATOM 926 H HG3 . MET A1 1 61 ? -4.048 10.292 -22.031 1.0 32.0 ? 61 A 2 -ATOM 927 H HE1 . MET A1 1 61 ? -1.814 10.377 -22.382 1.0 54.23 ? 61 A 2 -ATOM 928 H HE2 . MET A1 1 61 ? -0.677 9.205 -21.717 1.0 64.31 ? 61 A 2 -ATOM 929 H HE3 . MET A1 1 61 ? -1.098 9.15 -23.428 1.0 24.11 ? 61 A 2 -ATOM 930 N N . SER A1 1 62 ? -2.744 12.442 -21.203 1.0 73.15 ? 62 A 2 -ATOM 931 C CA . SER A1 1 62 ? -1.664 13.338 -21.598 1.0 12.22 ? 62 A 2 -ATOM 932 C C . SER A1 1 62 ? -2.081 14.797 -21.431 1.0 13.52 ? 62 A 2 -ATOM 933 O O . SER A1 1 62 ? -1.257 15.658 -21.121 1.0 42.51 ? 62 A 2 -ATOM 934 C CB . SER A1 1 62 ? -1.259 13.075 -23.049 1.0 62.33 ? 62 A 2 -ATOM 935 O OG . SER A1 1 62 ? 0.0 12.427 -23.118 1.0 14.13 ? 62 A 2 -ATOM 936 H H . SER A1 1 62 ? -3.273 11.995 -21.897 1.0 74.25 ? 62 A 2 -ATOM 937 H HA . SER A1 1 62 ? -0.819 13.142 -20.956 1.0 74.15 ? 62 A 2 -ATOM 938 H HB2 . SER A1 1 62 ? -2.0 12.445 -23.519 1.0 54.41 ? 62 A 2 -ATOM 939 H HB3 . SER A1 1 62 ? -1.196 14.014 -23.579 1.0 23.45 ? 62 A 2 -ATOM 940 H HG . SER A1 1 62 ? 0.571 12.9 -23.727 1.0 1.23 ? 62 A 2 -ATOM 941 N N . ASP A1 1 63 ? -3.365 15.066 -21.64 1.0 34.33 ? 63 A 2 -ATOM 942 C CA . ASP A1 1 63 ? -3.893 16.419 -21.512 1.0 10.21 ? 63 A 2 -ATOM 943 C C . ASP A1 1 63 ? -3.606 16.986 -20.125 1.0 63.54 ? 63 A 2 -ATOM 944 O O . ASP A1 1 63 ? -3.52 18.201 -19.945 1.0 31.33 ? 63 A 2 -ATOM 945 C CB . ASP A1 1 63 ? -5.399 16.429 -21.78 1.0 21.1 ? 63 A 2 -ATOM 946 C CG . ASP A1 1 63 ? -5.914 17.809 -22.139 1.0 12.2 ? 63 A 2 -ATOM 947 O OD1 . ASP A1 1 63 ? -5.201 18.54 -22.858 1.0 53.24 ? 63 A 2 -ATOM 948 O OD2 . ASP A1 1 63 ? -7.029 18.159 -21.699 1.0 3.13 ? 63 A 2 -ATOM 949 H H . ASP A1 1 63 ? -3.972 14.336 -21.885 1.0 14.4 ? 63 A 2 -ATOM 950 H HA . ASP A1 1 63 ? -3.402 17.038 -22.248 1.0 72.42 ? 63 A 2 -ATOM 951 H HB2 . ASP A1 1 63 ? -5.617 15.76 -22.6 1.0 63.34 ? 63 A 2 -ATOM 952 H HB3 . ASP A1 1 63 ? -5.917 16.089 -20.896 1.0 44.51 ? 63 A 2 -ATOM 953 N N . TYR A1 1 64 ? -3.461 16.098 -19.148 1.0 43.15 ? 64 A 2 -ATOM 954 C CA . TYR A1 1 64 ? -3.188 16.51 -17.776 1.0 74.44 ? 64 A 2 -ATOM 955 C C . TYR A1 1 64 ? -4.438 17.09 -17.122 1.0 35.31 ? 64 A 2 -ATOM 956 O O . TYR A1 1 64 ? -4.355 17.805 -16.124 1.0 63.11 ? 64 A 2 -ATOM 957 C CB . TYR A1 1 64 ? -2.058 17.54 -17.746 1.0 41.31 ? 64 A 2 -ATOM 958 C CG . TYR A1 1 64 ? -0.929 17.173 -16.809 1.0 35.31 ? 64 A 2 -ATOM 959 C CD1 . TYR A1 1 64 ? -1.186 16.75 -15.511 1.0 10.21 ? 64 A 2 -ATOM 960 C CD2 . TYR A1 1 64 ? 0.395 17.247 -17.224 1.0 61.0 ? 64 A 2 -ATOM 961 C CE1 . TYR A1 1 64 ? -0.158 16.415 -14.652 1.0 31.32 ? 64 A 2 -ATOM 962 C CE2 . TYR A1 1 64 ? 1.43 16.912 -16.372 1.0 3.01 ? 64 A 2 -ATOM 963 C CZ . TYR A1 1 64 ? 1.149 16.497 -15.087 1.0 35.43 ? 64 A 2 -ATOM 964 O OH . TYR A1 1 64 ? 2.176 16.162 -14.235 1.0 23.32 ? 64 A 2 -ATOM 965 H H . TYR A1 1 64 ? -3.541 15.143 -19.353 1.0 10.22 ? 64 A 2 -ATOM 966 H HA . TYR A1 1 64 ? -2.88 15.635 -17.222 1.0 40.51 ? 64 A 2 -ATOM 967 H HB2 . TYR A1 1 64 ? -1.645 17.641 -18.738 1.0 75.32 ? 64 A 2 -ATOM 968 H HB3 . TYR A1 1 64 ? -2.456 18.492 -17.428 1.0 32.34 ? 64 A 2 -ATOM 969 H HD1 . TYR A1 1 64 ? -2.211 16.687 -15.173 1.0 1.35 ? 64 A 2 -ATOM 970 H HD2 . TYR A1 1 64 ? 0.613 17.572 -18.231 1.0 32.41 ? 64 A 2 -ATOM 971 H HE1 . TYR A1 1 64 ? -0.378 16.089 -13.646 1.0 52.21 ? 64 A 2 -ATOM 972 H HE2 . TYR A1 1 64 ? 2.453 16.976 -16.712 1.0 43.14 ? 64 A 2 -ATOM 973 H HH . TYR A1 1 64 ? 1.946 15.364 -13.755 1.0 23.33 ? 64 A 2 -ATOM 974 N N . ASN A1 1 65 ? -5.597 16.777 -17.693 1.0 61.21 ? 65 A 2 -ATOM 975 C CA . ASN A1 1 65 ? -6.866 17.266 -17.167 1.0 70.22 ? 65 A 2 -ATOM 976 C C . ASN A1 1 65 ? -7.664 16.133 -16.529 1.0 21.44 ? 65 A 2 -ATOM 977 O O . ASN A1 1 65 ? -8.843 16.292 -16.212 1.0 22.24 ? 65 A 2 -ATOM 978 C CB . ASN A1 1 65 ? -7.686 17.919 -18.282 1.0 30.31 ? 65 A 2 -ATOM 979 C CG . ASN A1 1 65 ? -8.661 16.951 -18.924 1.0 75.23 ? 65 A 2 -ATOM 980 O OD1 . ASN A1 1 65 ? -9.871 17.179 -18.924 1.0 74.2 ? 65 A 2 -ATOM 981 N ND2 . ASN A1 1 65 ? -8.138 15.862 -19.475 1.0 12.4 ? 65 A 2 -ATOM 982 H H . ASN A1 1 65 ? -5.599 16.202 -18.487 1.0 72.01 ? 65 A 2 -ATOM 983 H HA . ASN A1 1 65 ? -6.648 18.007 -16.413 1.0 43.44 ? 65 A 2 -ATOM 984 H HB2 . ASN A1 1 65 ? -8.247 18.745 -17.871 1.0 12.24 ? 65 A 2 -ATOM 985 H HB3 . ASN A1 1 65 ? -7.017 18.287 -19.045 1.0 73.02 ? 65 A 2 -ATOM 986 H HD21 . ASN A1 1 65 ? -7.165 15.746 -19.438 1.0 23.44 ? 65 A 2 -ATOM 987 H HD22 . ASN A1 1 65 ? -8.745 15.22 -19.898 1.0 32.24 ? 65 A 2 -ATOM 988 N N . VAL A1 1 66 ? -7.013 14.99 -16.344 1.0 11.4 ? 66 A 2 -ATOM 989 C CA . VAL A1 1 66 ? -7.66 13.83 -15.742 1.0 70.45 ? 66 A 2 -ATOM 990 C C . VAL A1 1 66 ? -7.218 13.643 -14.295 1.0 73.11 ? 66 A 2 -ATOM 991 O O . VAL A1 1 66 ? -6.287 12.889 -14.014 1.0 33.12 ? 66 A 2 -ATOM 992 C CB . VAL A1 1 66 ? -7.354 12.544 -16.532 1.0 40.11 ? 66 A 2 -ATOM 993 C CG1 . VAL A1 1 66 ? -5.857 12.4 -16.759 1.0 32.21 ? 66 A 2 -ATOM 994 C CG2 . VAL A1 1 66 ? -7.91 11.328 -15.805 1.0 25.13 ? 66 A 2 -ATOM 995 H H . VAL A1 1 66 ? -6.074 14.924 -16.617 1.0 25.31 ? 66 A 2 -ATOM 996 H HA . VAL A1 1 66 ? -8.728 13.995 -15.764 1.0 44.24 ? 66 A 2 -ATOM 997 H HB . VAL A1 1 66 ? -7.837 12.613 -17.495 1.0 65.05 ? 66 A 2 -ATOM 998 H HG11 . VAL A1 1 66 ? -5.326 13.056 -16.084 1.0 62.5 ? 66 A 2 -ATOM 999 H HG12 . VAL A1 1 66 ? -5.561 11.378 -16.578 1.0 4.5 ? 66 A 2 -ATOM 1000 H HG13 . VAL A1 1 66 ? -5.621 12.668 -17.779 1.0 12.32 ? 66 A 2 -ATOM 1001 H HG21 . VAL A1 1 66 ? -8.5 10.737 -16.49 1.0 23.4 ? 66 A 2 -ATOM 1002 H HG22 . VAL A1 1 66 ? -7.093 10.732 -15.426 1.0 64.2 ? 66 A 2 -ATOM 1003 H HG23 . VAL A1 1 66 ? -8.531 11.652 -14.983 1.0 74.31 ? 66 A 2 -ATOM 1004 N N . GLN A1 1 67 ? -7.893 14.333 -13.382 1.0 5.43 ? 67 A 2 -ATOM 1005 C CA . GLN A1 1 67 ? -7.569 14.242 -11.963 1.0 15.5 ? 67 A 2 -ATOM 1006 C C . GLN A1 1 67 ? -8.491 13.254 -11.256 1.0 62.54 ? 67 A 2 -ATOM 1007 O O . GLN A1 1 67 ? -9.339 12.621 -11.885 1.0 44.01 ? 67 A 2 -ATOM 1008 C CB . GLN A1 1 67 ? -7.677 15.619 -11.305 1.0 35.11 ? 67 A 2 -ATOM 1009 C CG . GLN A1 1 67 ? -9.014 16.302 -11.538 1.0 11.21 ? 67 A 2 -ATOM 1010 C CD . GLN A1 1 67 ? -9.208 17.523 -10.661 1.0 34.44 ? 67 A 2 -ATOM 1011 O OE1 . GLN A1 1 67 ? -9.081 17.449 -9.438 1.0 41.54 ? 67 A 2 -ATOM 1012 N NE2 . GLN A1 1 67 ? -9.515 18.656 -11.281 1.0 50.51 ? 67 A 2 -ATOM 1013 H H . GLN A1 1 67 ? -8.625 14.917 -13.668 1.0 54.23 ? 67 A 2 -ATOM 1014 H HA . GLN A1 1 67 ? -6.552 13.891 -11.877 1.0 21.13 ? 67 A 2 -ATOM 1015 H HB2 . GLN A1 1 67 ? -7.534 15.508 -10.24 1.0 61.05 ? 67 A 2 -ATOM 1016 H HB3 . GLN A1 1 67 ? -6.899 16.255 -11.699 1.0 21.05 ? 67 A 2 -ATOM 1017 H HG2 . GLN A1 1 67 ? -9.072 16.609 -12.572 1.0 63.24 ? 67 A 2 -ATOM 1018 H HG3 . GLN A1 1 67 ? -9.805 15.597 -11.329 1.0 63.02 ? 67 A 2 -ATOM 1019 H HE21 . GLN A1 1 67 ? -9.601 18.64 -12.258 1.0 0.12 ? 67 A 2 -ATOM 1020 H HE22 . GLN A1 1 67 ? -9.647 19.46 -10.739 1.0 72.41 ? 67 A 2 -ATOM 1021 N N . LYS A1 1 68 ? -8.319 13.127 -9.945 1.0 63.33 ? 68 A 2 -ATOM 1022 C CA . LYS A1 1 68 ? -9.136 12.217 -9.151 1.0 34.0 ? 68 A 2 -ATOM 1023 C C . LYS A1 1 68 ? -10.621 12.496 -9.358 1.0 33.21 ? 68 A 2 -ATOM 1024 O O . LYS A1 1 68 ? -11.45 11.591 -9.267 1.0 33.01 ? 68 A 2 -ATOM 1025 C CB . LYS A1 1 68 ? -8.784 12.346 -7.667 1.0 41.41 ? 68 A 2 -ATOM 1026 C CG . LYS A1 1 68 ? -9.449 11.298 -6.791 1.0 61.44 ? 68 A 2 -ATOM 1027 C CD . LYS A1 1 68 ? -8.88 9.913 -7.048 1.0 43.41 ? 68 A 2 -ATOM 1028 C CE . LYS A1 1 68 ? -7.652 9.647 -6.191 1.0 23.43 ? 68 A 2 -ATOM 1029 N NZ . LYS A1 1 68 ? -7.967 9.705 -4.737 1.0 52.05 ? 68 A 2 -ATOM 1030 H H . LYS A1 1 68 ? -7.627 13.659 -9.499 1.0 75.53 ? 68 A 2 -ATOM 1031 H HA . LYS A1 1 68 ? -8.922 11.21 -9.476 1.0 31.4 ? 68 A 2 -ATOM 1032 H HB2 . LYS A1 1 68 ? -7.714 12.254 -7.553 1.0 51.5 ? 68 A 2 -ATOM 1033 H HB3 . LYS A1 1 68 ? -9.092 13.322 -7.32 1.0 62.4 ? 68 A 2 -ATOM 1034 H HG2 . LYS A1 1 68 ? -9.288 11.554 -5.754 1.0 22.33 ? 68 A 2 -ATOM 1035 H HG3 . LYS A1 1 68 ? -10.509 11.287 -7.0 1.0 45.02 ? 68 A 2 -ATOM 1036 H HD2 . LYS A1 1 68 ? -9.633 9.175 -6.817 1.0 14.2 ? 68 A 2 -ATOM 1037 H HD3 . LYS A1 1 68 ? -8.605 9.835 -8.091 1.0 13.53 ? 68 A 2 -ATOM 1038 H HE2 . LYS A1 1 68 ? -7.269 8.666 -6.429 1.0 43.13 ? 68 A 2 -ATOM 1039 H HE3 . LYS A1 1 68 ? -6.902 10.391 -6.418 1.0 63.42 ? 68 A 2 -ATOM 1040 H HZ1 . LYS A1 1 68 ? -8.059 10.694 -4.43 1.0 1.54 ? 68 A 2 -ATOM 1041 H HZ2 . LYS A1 1 68 ? -7.208 9.252 -4.189 1.0 73.32 ? 68 A 2 -ATOM 1042 H HZ3 . LYS A1 1 68 ? -8.861 9.209 -4.545 1.0 23.44 ? 68 A 2 -ATOM 1043 N N . GLU A1 1 69 ? -10.948 13.753 -9.639 1.0 51.1 ? 69 A 2 -ATOM 1044 C CA . GLU A1 1 69 ? -12.334 14.15 -9.86 1.0 15.41 ? 69 A 2 -ATOM 1045 C C . GLU A1 1 69 ? -12.411 15.373 -10.769 1.0 20.25 ? 69 A 2 -ATOM 1046 O O . GLU A1 1 69 ? -12.42 16.51 -10.298 1.0 55.15 ? 69 A 2 -ATOM 1047 C CB . GLU A1 1 69 ? -13.022 14.447 -8.526 1.0 42.14 ? 69 A 2 -ATOM 1048 C CG . GLU A1 1 69 ? -12.201 15.331 -7.602 1.0 32.44 ? 69 A 2 -ATOM 1049 C CD . GLU A1 1 69 ? -13.062 16.144 -6.656 1.0 60.3 ? 69 A 2 -ATOM 1050 O OE1 . GLU A1 1 69 ? -14.044 15.587 -6.121 1.0 52.11 ? 69 A 2 -ATOM 1051 O OE2 . GLU A1 1 69 ? -12.755 17.337 -6.449 1.0 33.22 ? 69 A 2 -ATOM 1052 H H . GLU A1 1 69 ? -10.242 14.43 -9.698 1.0 51.55 ? 69 A 2 -ATOM 1053 H HA . GLU A1 1 69 ? -12.842 13.327 -10.341 1.0 21.13 ? 69 A 2 -ATOM 1054 H HB2 . GLU A1 1 69 ? -13.962 14.941 -8.722 1.0 70.35 ? 69 A 2 -ATOM 1055 H HB3 . GLU A1 1 69 ? -13.215 13.514 -8.019 1.0 25.14 ? 69 A 2 -ATOM 1056 H HG2 . GLU A1 1 69 ? -11.543 14.705 -7.018 1.0 60.54 ? 69 A 2 -ATOM 1057 H HG3 . GLU A1 1 69 ? -11.612 16.009 -8.202 1.0 2.43 ? 69 A 2 -ATOM 1058 N N . SER A1 1 70 ? -12.466 15.131 -12.075 1.0 51.41 ? 70 A 2 -ATOM 1059 C CA . SER A1 1 70 ? -12.538 16.212 -13.051 1.0 50.24 ? 70 A 2 -ATOM 1060 C C . SER A1 1 70 ? -13.928 16.288 -13.675 1.0 72.1 ? 70 A 2 -ATOM 1061 O O . SER A1 1 70 ? -14.501 15.273 -14.072 1.0 13.02 ? 70 A 2 -ATOM 1062 C CB . SER A1 1 70 ? -11.486 16.013 -14.143 1.0 75.43 ? 70 A 2 -ATOM 1063 O OG . SER A1 1 70 ? -10.933 17.252 -14.551 1.0 45.33 ? 70 A 2 -ATOM 1064 H H . SER A1 1 70 ? -12.456 14.203 -12.389 1.0 42.55 ? 70 A 2 -ATOM 1065 H HA . SER A1 1 70 ? -12.337 17.139 -12.534 1.0 61.25 ? 70 A 2 -ATOM 1066 H HB2 . SER A1 1 70 ? -10.693 15.386 -13.765 1.0 1.23 ? 70 A 2 -ATOM 1067 H HB3 . SER A1 1 70 ? -11.944 15.537 -14.998 1.0 50.33 ? 70 A 2 -ATOM 1068 H HG . SER A1 1 70 ? -11.254 17.472 -15.429 1.0 14.24 ? 70 A 2 -ATOM 1069 N N . THR A1 1 71 ? -14.467 17.501 -13.76 1.0 52.55 ? 71 A 2 -ATOM 1070 C CA . THR A1 1 71 ? -15.789 17.712 -14.335 1.0 43.33 ? 71 A 2 -ATOM 1071 C C . THR A1 1 71 ? -15.695 18.07 -15.813 1.0 63.44 ? 71 A 2 -ATOM 1072 O O . THR A1 1 71 ? -15.068 19.063 -16.184 1.0 13.52 ? 71 A 2 -ATOM 1073 C CB . THR A1 1 71 ? -16.552 18.827 -13.595 1.0 4.41 ? 71 A 2 -ATOM 1074 O OG1 . THR A1 1 71 ? -15.639 19.844 -13.166 1.0 4.41 ? 71 A 2 -ATOM 1075 C CG2 . THR A1 1 71 ? -17.297 18.268 -12.393 1.0 4.35 ? 71 A 2 -ATOM 1076 H H . THR A1 1 71 ? -13.961 18.271 -13.426 1.0 14.04 ? 71 A 2 -ATOM 1077 H HA . THR A1 1 71 ? -16.348 16.793 -14.232 1.0 24.13 ? 71 A 2 -ATOM 1078 H HB . THR A1 1 71 ? -17.27 19.263 -14.275 1.0 70.41 ? 71 A 2 -ATOM 1079 H HG1 . THR A1 1 71 ? -16.115 20.512 -12.669 1.0 53.11 ? 71 A 2 -ATOM 1080 H HG21 . THR A1 1 71 ? -16.753 17.426 -11.993 1.0 12.42 ? 71 A 2 -ATOM 1081 H HG22 . THR A1 1 71 ? -18.283 17.948 -12.698 1.0 75.2 ? 71 A 2 -ATOM 1082 H HG23 . THR A1 1 71 ? -17.385 19.033 -11.636 1.0 31.12 ? 71 A 2 -ATOM 1083 N N . LEU A1 1 72 ? -16.323 17.256 -16.655 1.0 74.32 ? 72 A 2 -ATOM 1084 C CA . LEU A1 1 72 ? -16.311 17.488 -18.096 1.0 62.12 ? 72 A 2 -ATOM 1085 C C . LEU A1 1 72 ? -17.722 17.417 -18.67 1.0 14.1 ? 72 A 2 -ATOM 1086 O O . LEU A1 1 72 ? -18.591 16.735 -18.127 1.0 22.33 ? 72 A 2 -ATOM 1087 C CB . LEU A1 1 72 ? -15.413 16.462 -18.79 1.0 54.24 ? 72 A 2 -ATOM 1088 C CG . LEU A1 1 72 ? -16.105 15.194 -19.29 1.0 12.34 ? 72 A 2 -ATOM 1089 C CD1 . LEU A1 1 72 ? -16.437 15.316 -20.77 1.0 71.53 ? 72 A 2 -ATOM 1090 C CD2 . LEU A1 1 72 ? -15.232 13.974 -19.036 1.0 45.31 ? 72 A 2 -ATOM 1091 H H . LEU A1 1 72 ? -16.806 16.481 -16.301 1.0 40.44 ? 72 A 2 -ATOM 1092 H HA . LEU A1 1 72 ? -15.914 18.477 -18.269 1.0 22.23 ? 72 A 2 -ATOM 1093 H HB2 . LEU A1 1 72 ? -14.954 16.945 -19.639 1.0 24.33 ? 72 A 2 -ATOM 1094 H HB3 . LEU A1 1 72 ? -14.646 16.167 -18.088 1.0 64.44 ? 72 A 2 -ATOM 1095 H HG . LEU A1 1 72 ? -17.033 15.061 -18.751 1.0 60.22 ? 72 A 2 -ATOM 1096 H HD11 . LEU A1 1 72 ? -16.247 14.373 -21.259 1.0 22.12 ? 72 A 2 -ATOM 1097 H HD12 . LEU A1 1 72 ? -15.821 16.083 -21.215 1.0 11.12 ? 72 A 2 -ATOM 1098 H HD13 . LEU A1 1 72 ? -17.478 15.579 -20.885 1.0 74.11 ? 72 A 2 -ATOM 1099 H HD21 . LEU A1 1 72 ? -14.194 14.271 -19.018 1.0 45.11 ? 72 A 2 -ATOM 1100 H HD22 . LEU A1 1 72 ? -15.387 13.251 -19.823 1.0 64.51 ? 72 A 2 -ATOM 1101 H HD23 . LEU A1 1 72 ? -15.498 13.534 -18.085 1.0 15.53 ? 72 A 2 -ATOM 1102 N N . HIS A1 1 73 ? -17.942 18.125 -19.774 1.0 22.1 ? 73 A 2 -ATOM 1103 C CA . HIS A1 1 73 ? -19.247 18.14 -20.425 1.0 43.22 ? 73 A 2 -ATOM 1104 C C . HIS A1 1 73 ? -19.288 17.15 -21.584 1.0 1.12 ? 73 A 2 -ATOM 1105 O O . HIS A1 1 73 ? -18.504 17.252 -22.529 1.0 41.41 ? 73 A 2 -ATOM 1106 C CB . HIS A1 1 73 ? -19.573 19.547 -20.928 1.0 34.11 ? 73 A 2 -ATOM 1107 C CG . HIS A1 1 73 ? -21.032 19.768 -21.184 1.0 25.31 ? 73 A 2 -ATOM 1108 N ND1 . HIS A1 1 73 ? -21.879 18.772 -21.622 1.0 22.31 ? 73 A 2 -ATOM 1109 C CD2 . HIS A1 1 73 ? -21.794 20.88 -21.06 1.0 30.12 ? 73 A 2 -ATOM 1110 C CE1 . HIS A1 1 73 ? -23.098 19.261 -21.758 1.0 74.03 ? 73 A 2 -ATOM 1111 N NE2 . HIS A1 1 73 ? -23.074 20.539 -21.423 1.0 22.32 ? 73 A 2 -ATOM 1112 H H . HIS A1 1 73 ? -17.209 18.649 -20.16 1.0 41.1 ? 73 A 2 -ATOM 1113 H HA . HIS A1 1 73 ? -19.986 17.849 -19.693 1.0 23.25 ? 73 A 2 -ATOM 1114 H HB2 . HIS A1 1 73 ? -19.253 20.269 -20.191 1.0 51.13 ? 73 A 2 -ATOM 1115 H HB3 . HIS A1 1 73 ? -19.043 19.724 -21.852 1.0 64.13 ? 73 A 2 -ATOM 1116 H HD1 . HIS A1 1 73 ? -21.624 17.844 -21.807 1.0 63.31 ? 73 A 2 -ATOM 1117 H HD2 . HIS A1 1 73 ? -21.459 21.855 -20.737 1.0 71.43 ? 73 A 2 -ATOM 1118 H HE1 . HIS A1 1 73 ? -23.968 18.711 -22.086 1.0 3.34 ? 73 A 2 -ATOM 1119 N N . LEU A1 1 74 ? -20.205 16.192 -21.507 1.0 31.4 ? 74 A 2 -ATOM 1120 C CA . LEU A1 1 74 ? -20.347 15.183 -22.55 1.0 41.22 ? 74 A 2 -ATOM 1121 C C . LEU A1 1 74 ? -21.636 15.393 -23.339 1.0 21.0 ? 74 A 2 -ATOM 1122 O O . LEU A1 1 74 ? -22.734 15.309 -22.788 1.0 70.53 ? 74 A 2 -ATOM 1123 C CB . LEU A1 1 74 ? -20.335 13.782 -21.936 1.0 42.32 ? 74 A 2 -ATOM 1124 C CG . LEU A1 1 74 ? -20.901 12.661 -22.809 1.0 13.02 ? 74 A 2 -ATOM 1125 C CD1 . LEU A1 1 74 ? -20.095 12.525 -24.091 1.0 50.12 ? 74 A 2 -ATOM 1126 C CD2 . LEU A1 1 74 ? -20.916 11.345 -22.044 1.0 22.4 ? 74 A 2 -ATOM 1127 H H . LEU A1 1 74 ? -20.801 16.163 -20.73 1.0 53.04 ? 74 A 2 -ATOM 1128 H HA . LEU A1 1 74 ? -19.508 15.28 -23.222 1.0 65.43 ? 74 A 2 -ATOM 1129 H HB2 . LEU A1 1 74 ? -19.311 13.533 -21.701 1.0 22.02 ? 74 A 2 -ATOM 1130 H HB3 . LEU A1 1 74 ? -20.913 13.816 -21.023 1.0 20.31 ? 74 A 2 -ATOM 1131 H HG . LEU A1 1 74 ? -21.919 12.904 -23.079 1.0 34.12 ? 74 A 2 -ATOM 1132 H HD11 . LEU A1 1 74 ? -19.955 11.479 -24.319 1.0 33.01 ? 74 A 2 -ATOM 1133 H HD12 . LEU A1 1 74 ? -19.133 12.998 -23.964 1.0 1.34 ? 74 A 2 -ATOM 1134 H HD13 . LEU A1 1 74 ? -20.626 13.002 -24.902 1.0 63.14 ? 74 A 2 -ATOM 1135 H HD21 . LEU A1 1 74 ? -21.576 10.649 -22.539 1.0 12.32 ? 74 A 2 -ATOM 1136 H HD22 . LEU A1 1 74 ? -21.265 11.519 -21.037 1.0 54.43 ? 74 A 2 -ATOM 1137 H HD23 . LEU A1 1 74 ? -19.917 10.936 -22.013 1.0 14.02 ? 74 A 2 -ATOM 1138 N N . VAL A1 1 75 ? -21.494 15.664 -24.632 1.0 43.5 ? 75 A 2 -ATOM 1139 C CA . VAL A1 1 75 ? -22.646 15.882 -25.499 1.0 52.32 ? 75 A 2 -ATOM 1140 C C . VAL A1 1 75 ? -22.808 14.741 -26.496 1.0 61.15 ? 75 A 2 -ATOM 1141 O O . VAL A1 1 75 ? -21.834 14.282 -27.095 1.0 54.31 ? 75 A 2 -ATOM 1142 C CB . VAL A1 1 75 ? -22.525 17.21 -26.269 1.0 24.5 ? 75 A 2 -ATOM 1143 C CG1 . VAL A1 1 75 ? -22.527 18.388 -25.307 1.0 55.3 ? 75 A 2 -ATOM 1144 C CG2 . VAL A1 1 75 ? -21.269 17.215 -27.128 1.0 64.14 ? 75 A 2 -ATOM 1145 H H . VAL A1 1 75 ? -20.593 15.717 -25.013 1.0 70.11 ? 75 A 2 -ATOM 1146 H HA . VAL A1 1 75 ? -23.528 15.931 -24.876 1.0 60.52 ? 75 A 2 -ATOM 1147 H HB . VAL A1 1 75 ? -23.381 17.304 -26.921 1.0 44.41 ? 75 A 2 -ATOM 1148 H HG11 . VAL A1 1 75 ? -21.51 18.695 -25.111 1.0 31.54 ? 75 A 2 -ATOM 1149 H HG12 . VAL A1 1 75 ? -23.074 19.21 -25.745 1.0 61.34 ? 75 A 2 -ATOM 1150 H HG13 . VAL A1 1 75 ? -22.999 18.095 -24.381 1.0 54.52 ? 75 A 2 -ATOM 1151 H HG21 . VAL A1 1 75 ? -21.375 16.495 -27.925 1.0 5.24 ? 75 A 2 -ATOM 1152 H HG22 . VAL A1 1 75 ? -21.125 18.199 -27.547 1.0 61.35 ? 75 A 2 -ATOM 1153 H HG23 . VAL A1 1 75 ? -20.415 16.955 -26.519 1.0 24.43 ? 75 A 2 -ATOM 1154 N N . LEU A1 1 76 ? -24.044 14.287 -26.672 1.0 35.1 ? 76 A 2 -ATOM 1155 C CA . LEU A1 1 76 ? -24.334 13.198 -27.599 1.0 22.53 ? 76 A 2 -ATOM 1156 C C . LEU A1 1 76 ? -25.376 13.624 -28.629 1.0 2.14 ? 76 A 2 -ATOM 1157 O O . LEU A1 1 76 ? -26.364 14.278 -28.293 1.0 21.5 ? 76 A 2 -ATOM 1158 C CB . LEU A1 1 76 ? -24.829 11.969 -26.834 1.0 73.12 ? 76 A 2 -ATOM 1159 C CG . LEU A1 1 76 ? -24.552 11.958 -25.33 1.0 64.45 ? 76 A 2 -ATOM 1160 C CD1 . LEU A1 1 76 ? -25.678 12.648 -24.575 1.0 24.13 ? 76 A 2 -ATOM 1161 C CD2 . LEU A1 1 76 ? -24.369 10.532 -24.832 1.0 22.03 ? 76 A 2 -ATOM 1162 H H . LEU A1 1 76 ? -24.779 14.692 -26.167 1.0 44.32 ? 76 A 2 -ATOM 1163 H HA . LEU A1 1 76 ? -23.419 12.948 -28.113 1.0 53.04 ? 76 A 2 -ATOM 1164 H HB2 . LEU A1 1 76 ? -25.897 11.9 -26.974 1.0 71.31 ? 76 A 2 -ATOM 1165 H HB3 . LEU A1 1 76 ? -24.354 11.099 -27.265 1.0 62.14 ? 76 A 2 -ATOM 1166 H HG . LEU A1 1 76 ? -23.638 12.502 -25.135 1.0 42.11 ? 76 A 2 -ATOM 1167 H HD11 . LEU A1 1 76 ? -25.513 13.715 -24.578 1.0 12.14 ? 76 A 2 -ATOM 1168 H HD12 . LEU A1 1 76 ? -25.701 12.289 -23.557 1.0 23.21 ? 76 A 2 -ATOM 1169 H HD13 . LEU A1 1 76 ? -26.621 12.428 -25.056 1.0 40.2 ? 76 A 2 -ATOM 1170 H HD21 . LEU A1 1 76 ? -25.28 10.196 -24.361 1.0 53.24 ? 76 A 2 -ATOM 1171 H HD22 . LEU A1 1 76 ? -23.561 10.503 -24.116 1.0 72.02 ? 76 A 2 -ATOM 1172 H HD23 . LEU A1 1 76 ? -24.134 9.887 -25.666 1.0 63.4 ? 76 A 2 -ATOM 1173 N N . ARG A1 1 77 ? -25.15 13.246 -29.882 1.0 50.44 ? 77 A 2 -ATOM 1174 C CA . ARG A1 1 77 ? -26.069 13.587 -30.961 1.0 12.4 ? 77 A 2 -ATOM 1175 C C . ARG A1 1 77 ? -26.678 12.33 -31.575 1.0 10.32 ? 77 A 2 -ATOM 1176 O O . ARG A1 1 77 ? -26.558 12.092 -32.777 1.0 12.43 ? 77 A 2 -ATOM 1177 C CB . ARG A1 1 77 ? -25.346 14.395 -32.04 1.0 55.35 ? 77 A 2 -ATOM 1178 C CG . ARG A1 1 77 ? -24.049 13.758 -32.511 1.0 12.22 ? 77 A 2 -ATOM 1179 C CD . ARG A1 1 77 ? -22.836 14.527 -32.01 1.0 60.22 ? 77 A 2 -ATOM 1180 N NE . ARG A1 1 77 ? -22.513 15.661 -32.872 1.0 64.33 ? 77 A 2 -ATOM 1181 C CZ . ARG A1 1 77 ? -21.654 16.617 -32.536 1.0 13.31 ? 77 A 2 -ATOM 1182 N NH1 . ARG A1 1 77 ? -21.035 16.576 -31.364 1.0 63.3 ? 77 A 2 -ATOM 1183 N NH2 . ARG A1 1 77 ? -21.412 17.617 -33.374 1.0 70.54 ? 77 A 2 -ATOM 1184 H H . ARG A1 1 77 ? -24.345 12.726 -30.087 1.0 2.41 ? 77 A 2 -ATOM 1185 H HA . ARG A1 1 77 ? -26.862 14.19 -30.543 1.0 53.23 ? 77 A 2 -ATOM 1186 H HB2 . ARG A1 1 77 ? -25.999 14.501 -32.893 1.0 41.04 ? 77 A 2 -ATOM 1187 H HB3 . ARG A1 1 77 ? -25.118 15.375 -31.647 1.0 23.23 ? 77 A 2 -ATOM 1188 H HG2 . ARG A1 1 77 ? -23.999 12.746 -32.137 1.0 3.21 ? 77 A 2 -ATOM 1189 H HG3 . ARG A1 1 77 ? -24.036 13.746 -33.591 1.0 45.32 ? 77 A 2 -ATOM 1190 H HD2 . ARG A1 1 77 ? -23.044 14.891 -31.015 1.0 24.22 ? 77 A 2 -ATOM 1191 H HD3 . ARG A1 1 77 ? -21.99 13.857 -31.979 1.0 55.12 ? 77 A 2 -ATOM 1192 H HE . ARG A1 1 77 ? -22.959 15.711 -33.742 1.0 41.44 ? 77 A 2 -ATOM 1193 H HH11 . ARG A1 1 77 ? -21.215 15.823 -30.731 1.0 31.24 ? 77 A 2 -ATOM 1194 H HH12 . ARG A1 1 77 ? -20.388 17.297 -31.115 1.0 72.5 ? 77 A 2 -ATOM 1195 H HH21 . ARG A1 1 77 ? -21.876 17.651 -34.259 1.0 71.34 ? 77 A 2 -ATOM 1196 H HH22 . ARG A1 1 77 ? -20.766 18.336 -33.121 1.0 1.44 ? 77 A 2 -ATOM 1197 N N . LEU A1 1 78 ? -27.332 11.528 -30.741 1.0 31.03 ? 78 A 2 -ATOM 1198 C CA . LEU A1 1 78 ? -27.96 10.294 -31.201 1.0 51.32 ? 78 A 2 -ATOM 1199 C C . LEU A1 1 78 ? -29.003 10.582 -32.277 1.0 14.11 ? 78 A 2 -ATOM 1200 O O . LEU A1 1 78 ? -29.283 9.736 -33.125 1.0 12.31 ? 78 A 2 -ATOM 1201 C CB . LEU A1 1 78 ? -28.611 9.562 -30.027 1.0 42.51 ? 78 A 2 -ATOM 1202 C CG . LEU A1 1 78 ? -27.727 8.554 -29.291 1.0 51.45 ? 78 A 2 -ATOM 1203 C CD1 . LEU A1 1 78 ? -26.535 9.254 -28.656 1.0 14.44 ? 78 A 2 -ATOM 1204 C CD2 . LEU A1 1 78 ? -28.532 7.808 -28.238 1.0 25.32 ? 78 A 2 -ATOM 1205 H H . LEU A1 1 78 ? -27.395 11.771 -29.794 1.0 75.31 ? 78 A 2 -ATOM 1206 H HA . LEU A1 1 78 ? -27.189 9.668 -31.623 1.0 64.2 ? 78 A 2 -ATOM 1207 H HB2 . LEU A1 1 78 ? -28.932 10.303 -29.312 1.0 61.14 ? 78 A 2 -ATOM 1208 H HB3 . LEU A1 1 78 ? -29.473 9.032 -30.406 1.0 62.32 ? 78 A 2 -ATOM 1209 H HG . LEU A1 1 78 ? -27.35 7.831 -30.0 1.0 53.42 ? 78 A 2 -ATOM 1210 H HD11 . LEU A1 1 78 ? -26.412 8.906 -27.642 1.0 3.24 ? 78 A 2 -ATOM 1211 H HD12 . LEU A1 1 78 ? -26.703 10.321 -28.654 1.0 74.14 ? 78 A 2 -ATOM 1212 H HD13 . LEU A1 1 78 ? -25.643 9.032 -29.224 1.0 11.41 ? 78 A 2 -ATOM 1213 H HD21 . LEU A1 1 78 ? -28.513 8.361 -27.311 1.0 65.32 ? 78 A 2 -ATOM 1214 H HD22 . LEU A1 1 78 ? -28.101 6.83 -28.082 1.0 65.43 ? 78 A 2 -ATOM 1215 H HD23 . LEU A1 1 78 ? -29.553 7.701 -28.574 1.0 34.04 ? 78 A 2 -ATOM 1216 N N . ARG A1 1 79 ? -29.572 11.782 -32.236 1.0 44.5 ? 79 A 2 -ATOM 1217 C CA . ARG A1 1 79 ? -30.583 12.182 -33.207 1.0 54.44 ? 79 A 2 -ATOM 1218 C C . ARG A1 1 79 ? -29.991 12.245 -34.613 1.0 43.43 ? 79 A 2 -ATOM 1219 O O . ARG A1 1 79 ? -29.402 13.251 -35.005 1.0 24.23 ? 79 A 2 -ATOM 1220 C CB . ARG A1 1 79 ? -31.174 13.542 -32.83 1.0 53.1 ? 79 A 2 -ATOM 1221 C CG . ARG A1 1 79 ? -31.617 13.632 -31.379 1.0 62.42 ? 79 A 2 -ATOM 1222 C CD . ARG A1 1 79 ? -32.649 12.566 -31.045 1.0 15.2 ? 79 A 2 -ATOM 1223 N NE . ARG A1 1 79 ? -33.716 12.506 -32.04 1.0 22.21 ? 79 A 2 -ATOM 1224 C CZ . ARG A1 1 79 ? -34.568 11.492 -32.145 1.0 43.33 ? 79 A 2 -ATOM 1225 N NH1 . ARG A1 1 79 ? -34.479 10.459 -31.319 1.0 51.34 ? 79 A 2 -ATOM 1226 N NH2 . ARG A1 1 79 ? -35.513 11.511 -33.077 1.0 24.34 ? 79 A 2 -ATOM 1227 H H . ARG A1 1 79 ? -29.306 12.414 -31.535 1.0 30.43 ? 79 A 2 -ATOM 1228 H HA . ARG A1 1 79 ? -31.368 11.442 -33.193 1.0 75.12 ? 79 A 2 -ATOM 1229 H HB2 . ARG A1 1 79 ? -30.43 14.306 -33.004 1.0 72.51 ? 79 A 2 -ATOM 1230 H HB3 . ARG A1 1 79 ? -32.03 13.735 -33.458 1.0 62.3 ? 79 A 2 -ATOM 1231 H HG2 . ARG A1 1 79 ? -30.757 13.496 -30.74 1.0 34.21 ? 79 A 2 -ATOM 1232 H HG3 . ARG A1 1 79 ? -32.048 14.606 -31.204 1.0 51.44 ? 79 A 2 -ATOM 1233 H HD2 . ARG A1 1 79 ? -32.156 11.606 -31.003 1.0 21.42 ? 79 A 2 -ATOM 1234 H HD3 . ARG A1 1 79 ? -33.081 12.791 -30.081 1.0 24.22 ? 79 A 2 -ATOM 1235 H HE . ARG A1 1 79 ? -33.8 13.259 -32.661 1.0 63.2 ? 79 A 2 -ATOM 1236 H HH11 . ARG A1 1 79 ? -33.769 10.443 -30.615 1.0 0.03 ? 79 A 2 -ATOM 1237 H HH12 . ARG A1 1 79 ? -35.122 9.698 -31.398 1.0 54.33 ? 79 A 2 -ATOM 1238 H HH21 . ARG A1 1 79 ? -35.583 12.288 -33.701 1.0 72.3 ? 79 A 2 -ATOM 1239 H HH22 . ARG A1 1 79 ? -36.153 10.748 -33.154 1.0 2.44 ? 79 A 2 -ATOM 1240 N N . GLY A1 1 80 ? -30.152 11.161 -35.366 1.0 11.03 ? 80 A 2 -ATOM 1241 C CA . GLY A1 1 80 ? -29.629 11.114 -36.719 1.0 3.12 ? 80 A 2 -ATOM 1242 C C . GLY A1 1 80 ? -29.498 9.697 -37.241 1.0 52.34 ? 80 A 2 -ATOM 1243 O O . GLY A1 1 80 ? -29.919 9.398 -38.358 1.0 43.44 ? 80 A 2 -ATOM 1244 H H . GLY A1 1 80 ? -30.631 10.388 -35.001 1.0 0.24 ? 80 A 2 -ATOM 1245 H HA2 . GLY A1 1 80 ? -30.29 11.667 -37.369 1.0 71.24 ? 80 A 2 -ATOM 1246 H HA3 . GLY A1 1 80 ? -28.654 11.58 -36.732 1.0 43.14 ? 80 A 2 -ATOM 1247 N N . GLY A1 1 81 ? -28.912 8.82 -36.43 1.0 43.34 ? 81 A 2 -ATOM 1248 C CA . GLY A1 1 81 ? -28.737 7.438 -36.835 1.0 20.2 ? 81 A 2 -ATOM 1249 C C . GLY A1 1 81 ? -28.335 6.542 -35.68 1.0 63.23 ? 81 A 2 -ATOM 1250 O O . GLY A1 1 81 ? -28.272 6.986 -34.533 1.0 30.24 ? 81 A 2 -ATOM 1251 H H . GLY A1 1 81 ? -28.597 9.115 -35.55 1.0 11.33 ? 81 A 2 -ATOM 1252 H HA2 . GLY A1 1 81 ? -29.665 7.076 -37.252 1.0 30.51 ? 81 A 2 -ATOM 1253 H HA3 . GLY A1 1 81 ? -27.97 7.392 -37.594 1.0 55.14 ? 81 A 2 -ATOM 1254 N N . VAL A1 1 82 ? -28.064 5.276 -35.981 1.0 30.52 ? 82 A 2 -ATOM 1255 C CA . VAL A1 1 82 ? -27.666 4.315 -34.959 1.0 4.45 ? 82 A 2 -ATOM 1256 C C . VAL A1 1 82 ? -26.494 3.463 -35.432 1.0 63.52 ? 82 A 2 -ATOM 1257 O O . VAL A1 1 82 ? -25.348 3.699 -35.049 1.0 12.52 ? 82 A 2 -ATOM 1258 C CB . VAL A1 1 82 ? -28.836 3.391 -34.573 1.0 53.54 ? 82 A 2 -ATOM 1259 C CG1 . VAL A1 1 82 ? -30.004 4.203 -34.036 1.0 33.31 ? 82 A 2 -ATOM 1260 C CG2 . VAL A1 1 82 ? -29.265 2.549 -35.765 1.0 1.13 ? 82 A 2 -ATOM 1261 H H . VAL A1 1 82 ? -28.131 4.982 -36.913 1.0 42.11 ? 82 A 2 -ATOM 1262 H HA . VAL A1 1 82 ? -27.366 4.868 -34.08 1.0 65.12 ? 82 A 2 -ATOM 1263 H HB . VAL A1 1 82 ? -28.5 2.725 -33.791 1.0 3.02 ? 82 A 2 -ATOM 1264 H HG11 . VAL A1 1 82 ? -30.178 5.052 -34.68 1.0 71.54 ? 82 A 2 -ATOM 1265 H HG12 . VAL A1 1 82 ? -30.889 3.585 -34.005 1.0 43.52 ? 82 A 2 -ATOM 1266 H HG13 . VAL A1 1 82 ? -29.773 4.55 -33.039 1.0 60.31 ? 82 A 2 -ATOM 1267 H HG21 . VAL A1 1 82 ? -30.08 1.903 -35.476 1.0 51.1 ? 82 A 2 -ATOM 1268 H HG22 . VAL A1 1 82 ? -29.586 3.198 -36.566 1.0 43.42 ? 82 A 2 -ATOM 1269 H HG23 . VAL A1 1 82 ? -28.432 1.948 -36.101 1.0 61.21 ? 82 A 2 -ATOM 1 N N . GLY A1 1 1 ? -8.875 2.341 -1.267 1.0 13.0 ? 1 A 3 -ATOM 2 C CA . GLY A1 1 1 ? -7.892 3.405 -1.179 1.0 45.03 ? 1 A 3 -ATOM 3 C C . GLY A1 1 1 ? -6.752 3.223 -2.161 1.0 65.21 ? 1 A 3 -ATOM 4 O O . GLY A1 1 1 ? -5.629 2.885 -1.786 1.0 33.34 ? 1 A 3 -ATOM 5 H H1 . GLY A1 1 1 ? -9.512 2.325 -2.012 1.0 52.4 ? 1 A 3 -ATOM 6 H HA2 . GLY A1 1 1 ? -8.379 4.348 -1.38 1.0 14.15 ? 1 A 3 -ATOM 7 H HA3 . GLY A1 1 1 ? -7.489 3.426 -0.178 1.0 34.23 ? 1 A 3 -ATOM 8 N N . PRO A1 1 2 ? -7.036 3.448 -3.453 1.0 55.32 ? 2 A 3 -ATOM 9 C CA . PRO A1 1 2 ? -6.039 3.311 -4.518 1.0 21.43 ? 2 A 3 -ATOM 10 C C . PRO A1 1 2 ? -4.976 4.403 -4.461 1.0 41.45 ? 2 A 3 -ATOM 11 O O . PRO A1 1 2 ? -5.047 5.31 -3.631 1.0 62.42 ? 2 A 3 -ATOM 12 C CB . PRO A1 1 2 ? -6.868 3.439 -5.799 1.0 51.45 ? 2 A 3 -ATOM 13 C CG . PRO A1 1 2 ? -8.064 4.232 -5.398 1.0 43.11 ? 2 A 3 -ATOM 14 C CD . PRO A1 1 2 ? -8.353 3.853 -3.972 1.0 64.14 ? 2 A 3 -ATOM 15 H HA . PRO A1 1 2 ? -5.561 2.343 -4.492 1.0 31.54 ? 2 A 3 -ATOM 16 H HB2 . PRO A1 1 2 ? -6.29 3.949 -6.556 1.0 42.4 ? 2 A 3 -ATOM 17 H HB3 . PRO A1 1 2 ? -7.146 2.457 -6.152 1.0 62.54 ? 2 A 3 -ATOM 18 H HG2 . PRO A1 1 2 ? -7.845 5.287 -5.469 1.0 3.22 ? 2 A 3 -ATOM 19 H HG3 . PRO A1 1 2 ? -8.901 3.977 -6.031 1.0 51.14 ? 2 A 3 -ATOM 20 H HD2 . PRO A1 1 2 ? -8.738 4.702 -3.427 1.0 11.0 ? 2 A 3 -ATOM 21 H HD3 . PRO A1 1 2 ? -9.052 3.03 -3.935 1.0 24.12 ? 2 A 3 -ATOM 22 N N . LEU A1 1 3 ? -3.991 4.31 -5.348 1.0 34.12 ? 3 A 3 -ATOM 23 C CA . LEU A1 1 3 ? -2.913 5.291 -5.399 1.0 54.03 ? 3 A 3 -ATOM 24 C C . LEU A1 1 3 ? -2.895 6.012 -6.743 1.0 63.21 ? 3 A 3 -ATOM 25 O O . LEU A1 1 3 ? -3.255 7.185 -6.834 1.0 11.24 ? 3 A 3 -ATOM 26 C CB . LEU A1 1 3 ? -1.565 4.61 -5.155 1.0 60.12 ? 3 A 3 -ATOM 27 C CG . LEU A1 1 3 ? -0.919 4.867 -3.793 1.0 64.13 ? 3 A 3 -ATOM 28 C CD1 . LEU A1 1 3 ? -0.508 6.325 -3.665 1.0 62.25 ? 3 A 3 -ATOM 29 C CD2 . LEU A1 1 3 ? -1.87 4.478 -2.671 1.0 0.12 ? 3 A 3 -ATOM 30 H H . LEU A1 1 3 ? -3.989 3.565 -5.984 1.0 52.35 ? 3 A 3 -ATOM 31 H HA . LEU A1 1 3 ? -3.087 6.016 -4.617 1.0 43.13 ? 3 A 3 -ATOM 32 H HB2 . LEU A1 1 3 ? -1.71 3.545 -5.257 1.0 74.24 ? 3 A 3 -ATOM 33 H HB3 . LEU A1 1 3 ? -0.88 4.952 -5.918 1.0 72.41 ? 3 A 3 -ATOM 34 H HG . LEU A1 1 3 ? -0.029 4.26 -3.704 1.0 43.5 ? 3 A 3 -ATOM 35 H HD11 . LEU A1 1 3 ? -0.498 6.784 -4.641 1.0 50.45 ? 3 A 3 -ATOM 36 H HD12 . LEU A1 1 3 ? 0.479 6.383 -3.229 1.0 4.34 ? 3 A 3 -ATOM 37 H HD13 . LEU A1 1 3 ? -1.212 6.843 -3.03 1.0 54.42 ? 3 A 3 -ATOM 38 H HD21 . LEU A1 1 3 ? -2.087 3.422 -2.733 1.0 23.33 ? 3 A 3 -ATOM 39 H HD22 . LEU A1 1 3 ? -2.787 5.041 -2.764 1.0 1.01 ? 3 A 3 -ATOM 40 H HD23 . LEU A1 1 3 ? -1.41 4.696 -1.718 1.0 75.24 ? 3 A 3 -ATOM 41 N N . GLY A1 1 4 ? -2.476 5.301 -7.785 1.0 4.21 ? 4 A 3 -ATOM 42 C CA . GLY A1 1 4 ? -2.421 5.889 -9.111 1.0 43.34 ? 4 A 3 -ATOM 43 C C . GLY A1 1 4 ? -3.785 5.962 -9.769 1.0 32.24 ? 4 A 3 -ATOM 44 O O . GLY A1 1 4 ? -4.185 7.013 -10.268 1.0 73.31 ? 4 A 3 -ATOM 45 H H . GLY A1 1 4 ? -2.201 4.37 -7.653 1.0 2.13 ? 4 A 3 -ATOM 46 H HA2 . GLY A1 1 4 ? -2.016 6.887 -9.034 1.0 53.5 ? 4 A 3 -ATOM 47 H HA3 . GLY A1 1 4 ? -1.767 5.293 -9.73 1.0 61.41 ? 4 A 3 -ATOM 48 N N . SER A1 1 5 ? -4.5 4.841 -9.772 1.0 14.33 ? 5 A 3 -ATOM 49 C CA . SER A1 1 5 ? -5.824 4.781 -10.379 1.0 12.42 ? 5 A 3 -ATOM 50 C C . SER A1 1 5 ? -6.705 5.919 -9.874 1.0 43.22 ? 5 A 3 -ATOM 51 O O . SER A1 1 5 ? -6.554 6.382 -8.744 1.0 33.52 ? 5 A 3 -ATOM 52 C CB . SER A1 1 5 ? -6.486 3.435 -10.076 1.0 72.02 ? 5 A 3 -ATOM 53 O OG . SER A1 1 5 ? -5.703 2.36 -10.565 1.0 21.35 ? 5 A 3 -ATOM 54 H H . SER A1 1 5 ? -4.126 4.035 -9.358 1.0 31.12 ? 5 A 3 -ATOM 55 H HA . SER A1 1 5 ? -5.704 4.881 -11.447 1.0 12.32 ? 5 A 3 -ATOM 56 H HB2 . SER A1 1 5 ? -6.6 3.326 -9.008 1.0 41.01 ? 5 A 3 -ATOM 57 H HB3 . SER A1 1 5 ? -7.458 3.401 -10.547 1.0 74.13 ? 5 A 3 -ATOM 58 H HG . SER A1 1 5 ? -6.01 1.538 -10.175 1.0 33.45 ? 5 A 3 -ATOM 59 N N . MET A1 1 6 ? -7.626 6.366 -10.722 1.0 14.01 ? 6 A 3 -ATOM 60 C CA . MET A1 1 6 ? -8.533 7.45 -10.362 1.0 54.33 ? 6 A 3 -ATOM 61 C C . MET A1 1 6 ? -9.878 7.29 -11.065 1.0 31.44 ? 6 A 3 -ATOM 62 O O . MET A1 1 6 ? -10.128 6.279 -11.721 1.0 1.11 ? 6 A 3 -ATOM 63 C CB . MET A1 1 6 ? -7.915 8.802 -10.722 1.0 70.21 ? 6 A 3 -ATOM 64 C CG . MET A1 1 6 ? -7.324 8.847 -12.122 1.0 25.05 ? 6 A 3 -ATOM 65 S SD . MET A1 1 6 ? -5.539 9.103 -12.115 1.0 3.44 ? 6 A 3 -ATOM 66 C CE . MET A1 1 6 ? -5.077 8.311 -13.653 1.0 13.21 ? 6 A 3 -ATOM 67 H H . MET A1 1 6 ? -7.699 5.958 -11.61 1.0 2.32 ? 6 A 3 -ATOM 68 H HA . MET A1 1 6 ? -8.691 7.409 -9.295 1.0 5.22 ? 6 A 3 -ATOM 69 H HB2 . MET A1 1 6 ? -8.677 9.564 -10.652 1.0 62.43 ? 6 A 3 -ATOM 70 H HB3 . MET A1 1 6 ? -7.128 9.025 -10.016 1.0 63.34 ? 6 A 3 -ATOM 71 H HG2 . MET A1 1 6 ? -7.536 7.912 -12.618 1.0 33.13 ? 6 A 3 -ATOM 72 H HG3 . MET A1 1 6 ? -7.788 9.656 -12.667 1.0 12.41 ? 6 A 3 -ATOM 73 H HE1 . MET A1 1 6 ? -4.385 7.507 -13.45 1.0 12.23 ? 6 A 3 -ATOM 74 H HE2 . MET A1 1 6 ? -5.959 7.913 -14.133 1.0 52.54 ? 6 A 3 -ATOM 75 H HE3 . MET A1 1 6 ? -4.609 9.035 -14.304 1.0 2.41 ? 6 A 3 -ATOM 76 N N . GLN A1 1 7 ? -10.738 8.293 -10.923 1.0 13.12 ? 7 A 3 -ATOM 77 C CA . GLN A1 1 7 ? -12.057 8.261 -11.544 1.0 13.2 ? 7 A 3 -ATOM 78 C C . GLN A1 1 7 ? -12.416 9.623 -12.13 1.0 42.42 ? 7 A 3 -ATOM 79 O O . GLN A1 1 7 ? -11.892 10.651 -11.701 1.0 71.33 ? 7 A 3 -ATOM 80 C CB . GLN A1 1 7 ? -13.115 7.837 -10.524 1.0 42.01 ? 7 A 3 -ATOM 81 C CG . GLN A1 1 7 ? -12.694 6.653 -9.668 1.0 12.34 ? 7 A 3 -ATOM 82 C CD . GLN A1 1 7 ? -12.207 7.069 -8.294 1.0 44.31 ? 7 A 3 -ATOM 83 O OE1 . GLN A1 1 7 ? -12.018 8.255 -8.023 1.0 33.44 ? 7 A 3 -ATOM 84 N NE2 . GLN A1 1 7 ? -12.0 6.093 -7.418 1.0 73.32 ? 7 A 3 -ATOM 85 H H . GLN A1 1 7 ? -10.48 9.072 -10.388 1.0 71.21 ? 7 A 3 -ATOM 86 H HA . GLN A1 1 7 ? -12.03 7.536 -12.343 1.0 62.03 ? 7 A 3 -ATOM 87 H HB2 . GLN A1 1 7 ? -13.321 8.671 -9.87 1.0 13.25 ? 7 A 3 -ATOM 88 H HB3 . GLN A1 1 7 ? -14.019 7.57 -11.05 1.0 41.42 ? 7 A 3 -ATOM 89 H HG2 . GLN A1 1 7 ? -13.541 5.994 -9.548 1.0 43.33 ? 7 A 3 -ATOM 90 H HG3 . GLN A1 1 7 ? -11.898 6.126 -10.173 1.0 33.21 ? 7 A 3 -ATOM 91 H HE21 . GLN A1 1 7 ? -12.171 5.171 -7.705 1.0 52.01 ? 7 A 3 -ATOM 92 H HE22 . GLN A1 1 7 ? -11.684 6.333 -6.523 1.0 55.43 ? 7 A 3 -ATOM 93 N N . ILE A1 1 8 ? -13.31 9.622 -13.113 1.0 12.12 ? 8 A 3 -ATOM 94 C CA . ILE A1 1 8 ? -13.739 10.857 -13.756 1.0 64.2 ? 8 A 3 -ATOM 95 C C . ILE A1 1 8 ? -15.26 10.945 -13.819 1.0 0.33 ? 8 A 3 -ATOM 96 O O . ILE A1 1 8 ? -15.954 9.931 -13.753 1.0 11.35 ? 8 A 3 -ATOM 97 C CB . ILE A1 1 8 ? -13.169 10.976 -15.183 1.0 65.34 ? 8 A 3 -ATOM 98 C CG1 . ILE A1 1 8 ? -12.306 9.757 -15.513 1.0 72.33 ? 8 A 3 -ATOM 99 C CG2 . ILE A1 1 8 ? -12.363 12.258 -15.326 1.0 55.24 ? 8 A 3 -ATOM 100 C CD1 . ILE A1 1 8 ? -11.873 9.698 -16.961 1.0 11.02 ? 8 A 3 -ATOM 101 H H . ILE A1 1 8 ? -13.691 8.77 -13.411 1.0 43.45 ? 8 A 3 -ATOM 102 H HA . ILE A1 1 8 ? -13.364 11.685 -13.171 1.0 41.41 ? 8 A 3 -ATOM 103 H HB . ILE A1 1 8 ? -13.997 11.02 -15.874 1.0 13.24 ? 8 A 3 -ATOM 104 H HG12 . ILE A1 1 8 ? -11.417 9.776 -14.902 1.0 4.11 ? 8 A 3 -ATOM 105 H HG13 . ILE A1 1 8 ? -12.866 8.858 -15.297 1.0 33.41 ? 8 A 3 -ATOM 106 H HG21 . ILE A1 1 8 ? -11.667 12.155 -16.146 1.0 12.11 ? 8 A 3 -ATOM 107 H HG22 . ILE A1 1 8 ? -13.031 13.082 -15.523 1.0 14.43 ? 8 A 3 -ATOM 108 H HG23 . ILE A1 1 8 ? -11.818 12.445 -14.413 1.0 53.13 ? 8 A 3 -ATOM 109 H HD11 . ILE A1 1 8 ? -12.456 8.951 -17.482 1.0 4.51 ? 8 A 3 -ATOM 110 H HD12 . ILE A1 1 8 ? -12.029 10.661 -17.424 1.0 22.53 ? 8 A 3 -ATOM 111 H HD13 . ILE A1 1 8 ? -10.826 9.438 -17.015 1.0 32.23 ? 8 A 3 -ATOM 112 N N . PHE A1 1 9 ? -15.771 12.165 -13.949 1.0 44.42 ? 9 A 3 -ATOM 113 C CA . PHE A1 1 9 ? -17.211 12.386 -14.023 1.0 45.42 ? 9 A 3 -ATOM 114 C C . PHE A1 1 9 ? -17.614 12.888 -15.406 1.0 62.05 ? 9 A 3 -ATOM 115 O O . PHE A1 1 9 ? -17.078 13.879 -15.9 1.0 33.13 ? 9 A 3 -ATOM 116 C CB . PHE A1 1 9 ? -17.648 13.392 -12.955 1.0 42.3 ? 9 A 3 -ATOM 117 C CG . PHE A1 1 9 ? -17.593 12.845 -11.558 1.0 44.44 ? 9 A 3 -ATOM 118 C CD1 . PHE A1 1 9 ? -16.376 12.561 -10.959 1.0 24.21 ? 9 A 3 -ATOM 119 C CD2 . PHE A1 1 9 ? -18.757 12.615 -10.843 1.0 24.11 ? 9 A 3 -ATOM 120 C CE1 . PHE A1 1 9 ? -16.323 12.057 -9.673 1.0 54.33 ? 9 A 3 -ATOM 121 C CE2 . PHE A1 1 9 ? -18.71 12.112 -9.556 1.0 62.43 ? 9 A 3 -ATOM 122 C CZ . PHE A1 1 9 ? -17.491 11.833 -8.97 1.0 72.21 ? 9 A 3 -ATOM 123 H H . PHE A1 1 9 ? -15.166 12.935 -13.997 1.0 15.35 ? 9 A 3 -ATOM 124 H HA . PHE A1 1 9 ? -17.7 11.442 -13.838 1.0 72.15 ? 9 A 3 -ATOM 125 H HB2 . PHE A1 1 9 ? -17.002 14.256 -12.999 1.0 13.22 ? 9 A 3 -ATOM 126 H HB3 . PHE A1 1 9 ? -18.665 13.697 -13.154 1.0 20.44 ? 9 A 3 -ATOM 127 H HD1 . PHE A1 1 9 ? -15.462 12.736 -11.506 1.0 63.23 ? 9 A 3 -ATOM 128 H HD2 . PHE A1 1 9 ? -19.712 12.833 -11.301 1.0 43.5 ? 9 A 3 -ATOM 129 H HE1 . PHE A1 1 9 ? -15.368 11.84 -9.217 1.0 53.21 ? 9 A 3 -ATOM 130 H HE2 . PHE A1 1 9 ? -19.625 11.938 -9.01 1.0 61.25 ? 9 A 3 -ATOM 131 H HZ . PHE A1 1 9 ? -17.452 11.439 -7.966 1.0 11.33 ? 9 A 3 -ATOM 132 N N . VAL A1 1 10 ? -18.564 12.195 -16.026 1.0 35.51 ? 10 A 3 -ATOM 133 C CA . VAL A1 1 10 ? -19.041 12.569 -17.352 1.0 51.35 ? 10 A 3 -ATOM 134 C C . VAL A1 1 10 ? -20.503 12.998 -17.31 1.0 20.3 ? 10 A 3 -ATOM 135 O O . VAL A1 1 10 ? -21.348 12.31 -16.736 1.0 33.54 ? 10 A 3 -ATOM 136 C CB . VAL A1 1 10 ? -18.888 11.407 -18.352 1.0 1.24 ? 10 A 3 -ATOM 137 C CG1 . VAL A1 1 10 ? -18.647 11.939 -19.757 1.0 43.55 ? 10 A 3 -ATOM 138 C CG2 . VAL A1 1 10 ? -17.76 10.481 -17.923 1.0 70.41 ? 10 A 3 -ATOM 139 H H . VAL A1 1 10 ? -18.954 11.413 -15.581 1.0 13.11 ? 10 A 3 -ATOM 140 H HA . VAL A1 1 10 ? -18.442 13.397 -17.701 1.0 52.2 ? 10 A 3 -ATOM 141 H HB . VAL A1 1 10 ? -19.807 10.841 -18.359 1.0 21.21 ? 10 A 3 -ATOM 142 H HG11 . VAL A1 1 10 ? -19.089 12.92 -19.85 1.0 75.22 ? 10 A 3 -ATOM 143 H HG12 . VAL A1 1 10 ? -17.584 12.003 -19.94 1.0 54.41 ? 10 A 3 -ATOM 144 H HG13 . VAL A1 1 10 ? -19.098 11.272 -20.476 1.0 61.31 ? 10 A 3 -ATOM 145 H HG21 . VAL A1 1 10 ? -16.947 11.065 -17.518 1.0 13.24 ? 10 A 3 -ATOM 146 H HG22 . VAL A1 1 10 ? -18.123 9.797 -17.17 1.0 62.44 ? 10 A 3 -ATOM 147 H HG23 . VAL A1 1 10 ? -17.408 9.921 -18.778 1.0 2.35 ? 10 A 3 -ATOM 148 N N . LYS A1 1 11 ? -20.796 14.141 -17.921 1.0 23.3 ? 11 A 3 -ATOM 149 C CA . LYS A1 1 11 ? -22.157 14.663 -17.956 1.0 10.31 ? 11 A 3 -ATOM 150 C C . LYS A1 1 11 ? -22.75 14.544 -19.356 1.0 22.12 ? 11 A 3 -ATOM 151 O O . LYS A1 1 11 ? -22.28 15.183 -20.298 1.0 63.21 ? 11 A 3 -ATOM 152 C CB . LYS A1 1 11 ? -22.175 16.126 -17.506 1.0 34.41 ? 11 A 3 -ATOM 153 C CG . LYS A1 1 11 ? -23.485 16.837 -17.8 1.0 63.11 ? 11 A 3 -ATOM 154 C CD . LYS A1 1 11 ? -23.442 18.29 -17.358 1.0 3.15 ? 11 A 3 -ATOM 155 C CE . LYS A1 1 11 ? -23.025 19.207 -18.497 1.0 2.52 ? 11 A 3 -ATOM 156 N NZ . LYS A1 1 11 ? -23.057 20.641 -18.095 1.0 51.12 ? 11 A 3 -ATOM 157 H H . LYS A1 1 11 ? -20.079 14.645 -18.362 1.0 4.15 ? 11 A 3 -ATOM 158 H HA . LYS A1 1 11 ? -22.755 14.078 -17.274 1.0 44.21 ? 11 A 3 -ATOM 159 H HB2 . LYS A1 1 11 ? -22.0 16.164 -16.44 1.0 75.01 ? 11 A 3 -ATOM 160 H HB3 . LYS A1 1 11 ? -21.381 16.656 -18.012 1.0 15.43 ? 11 A 3 -ATOM 161 H HG2 . LYS A1 1 11 ? -23.673 16.801 -18.862 1.0 73.24 ? 11 A 3 -ATOM 162 H HG3 . LYS A1 1 11 ? -24.283 16.333 -17.274 1.0 30.03 ? 11 A 3 -ATOM 163 H HD2 . LYS A1 1 11 ? -24.424 18.583 -17.016 1.0 63.51 ? 11 A 3 -ATOM 164 H HD3 . LYS A1 1 11 ? -22.733 18.39 -16.548 1.0 61.22 ? 11 A 3 -ATOM 165 H HE2 . LYS A1 1 11 ? -22.021 18.95 -18.8 1.0 70.24 ? 11 A 3 -ATOM 166 H HE3 . LYS A1 1 11 ? -23.7 19.059 -19.326 1.0 3.13 ? 11 A 3 -ATOM 167 H HZ1 . LYS A1 1 11 ? -22.109 21.058 -18.182 1.0 1.34 ? 11 A 3 -ATOM 168 H HZ2 . LYS A1 1 11 ? -23.374 20.728 -17.108 1.0 61.44 ? 11 A 3 -ATOM 169 H HZ3 . LYS A1 1 11 ? -23.713 21.168 -18.705 1.0 12.11 ? 11 A 3 -ATOM 170 N N . THR A1 1 12 ? -23.788 13.723 -19.486 1.0 60.33 ? 12 A 3 -ATOM 171 C CA . THR A1 1 12 ? -24.445 13.52 -20.771 1.0 63.11 ? 12 A 3 -ATOM 172 C C . THR A1 1 12 ? -25.282 14.734 -21.158 1.0 63.2 ? 12 A 3 -ATOM 173 O O . THR A1 1 12 ? -25.654 15.542 -20.305 1.0 23.14 ? 12 A 3 -ATOM 174 C CB . THR A1 1 12 ? -25.35 12.274 -20.749 1.0 13.53 ? 12 A 3 -ATOM 175 O OG1 . THR A1 1 12 ? -26.528 12.537 -19.979 1.0 44.22 ? 12 A 3 -ATOM 176 C CG2 . THR A1 1 12 ? -24.611 11.08 -20.163 1.0 44.25 ? 12 A 3 -ATOM 177 H H . THR A1 1 12 ? -24.117 13.241 -18.699 1.0 50.31 ? 12 A 3 -ATOM 178 H HA . THR A1 1 12 ? -23.679 13.371 -21.518 1.0 15.31 ? 12 A 3 -ATOM 179 H HB . THR A1 1 12 ? -25.637 12.038 -21.764 1.0 3.11 ? 12 A 3 -ATOM 180 H HG1 . THR A1 1 12 ? -27.293 12.171 -20.43 1.0 54.01 ? 12 A 3 -ATOM 181 H HG21 . THR A1 1 12 ? -25.26 10.217 -20.17 1.0 54.24 ? 12 A 3 -ATOM 182 H HG22 . THR A1 1 12 ? -24.318 11.301 -19.147 1.0 51.32 ? 12 A 3 -ATOM 183 H HG23 . THR A1 1 12 ? -23.732 10.874 -20.755 1.0 74.05 ? 12 A 3 -ATOM 184 N N . LEU A1 1 13 ? -25.576 14.858 -22.447 1.0 74.21 ? 13 A 3 -ATOM 185 C CA . LEU A1 1 13 ? -26.371 15.974 -22.947 1.0 74.52 ? 13 A 3 -ATOM 186 C C . LEU A1 1 13 ? -27.744 16.006 -22.282 1.0 25.21 ? 13 A 3 -ATOM 187 O O . LEU A1 1 13 ? -28.424 17.033 -22.285 1.0 11.35 ? 13 A 3 -ATOM 188 C CB . LEU A1 1 13 ? -26.529 15.874 -24.465 1.0 31.51 ? 13 A 3 -ATOM 189 C CG . LEU A1 1 13 ? -27.088 17.113 -25.165 1.0 30.32 ? 13 A 3 -ATOM 190 C CD1 . LEU A1 1 13 ? -25.993 18.148 -25.374 1.0 44.31 ? 13 A 3 -ATOM 191 C CD2 . LEU A1 1 13 ? -27.726 16.733 -26.494 1.0 64.01 ? 13 A 3 -ATOM 192 H H . LEU A1 1 13 ? -25.252 14.183 -23.079 1.0 42.02 ? 13 A 3 -ATOM 193 H HA . LEU A1 1 13 ? -25.847 16.888 -22.707 1.0 34.1 ? 13 A 3 -ATOM 194 H HB2 . LEU A1 1 13 ? -25.557 15.667 -24.886 1.0 62.11 ? 13 A 3 -ATOM 195 H HB3 . LEU A1 1 13 ? -27.193 15.047 -24.674 1.0 43.21 ? 13 A 3 -ATOM 196 H HG . LEU A1 1 13 ? -27.852 17.558 -24.542 1.0 45.4 ? 13 A 3 -ATOM 197 H HD11 . LEU A1 1 13 ? -26.34 19.112 -25.033 1.0 62.23 ? 13 A 3 -ATOM 198 H HD12 . LEU A1 1 13 ? -25.747 18.204 -26.424 1.0 23.44 ? 13 A 3 -ATOM 199 H HD13 . LEU A1 1 13 ? -25.116 17.861 -24.813 1.0 25.55 ? 13 A 3 -ATOM 200 H HD21 . LEU A1 1 13 ? -27.155 15.94 -26.953 1.0 62.14 ? 13 A 3 -ATOM 201 H HD22 . LEU A1 1 13 ? -27.737 17.594 -27.146 1.0 41.34 ? 13 A 3 -ATOM 202 H HD23 . LEU A1 1 13 ? -28.739 16.398 -26.324 1.0 51.42 ? 13 A 3 -ATOM 203 N N . THR A1 1 14 ? -28.145 14.875 -21.711 1.0 31.41 ? 14 A 3 -ATOM 204 C CA . THR A1 1 14 ? -29.436 14.773 -21.041 1.0 30.33 ? 14 A 3 -ATOM 205 C C . THR A1 1 14 ? -29.319 15.133 -19.564 1.0 22.13 ? 14 A 3 -ATOM 206 O O . THR A1 1 14 ? -30.271 14.981 -18.801 1.0 5.31 ? 14 A 3 -ATOM 207 C CB . THR A1 1 14 ? -30.024 13.355 -21.168 1.0 34.54 ? 14 A 3 -ATOM 208 O OG1 . THR A1 1 14 ? -29.213 12.422 -20.445 1.0 3.22 ? 14 A 3 -ATOM 209 C CG2 . THR A1 1 14 ? -30.113 12.935 -22.627 1.0 34.11 ? 14 A 3 -ATOM 210 H H . THR A1 1 14 ? -27.559 14.091 -21.741 1.0 2.31 ? 14 A 3 -ATOM 211 H HA . THR A1 1 14 ? -30.114 15.466 -21.517 1.0 25.44 ? 14 A 3 -ATOM 212 H HB . THR A1 1 14 ? -31.02 13.356 -20.747 1.0 55.24 ? 14 A 3 -ATOM 213 H HG1 . THR A1 1 14 ? -29.368 12.526 -19.503 1.0 24.42 ? 14 A 3 -ATOM 214 H HG21 . THR A1 1 14 ? -30.121 13.813 -23.254 1.0 1.02 ? 14 A 3 -ATOM 215 H HG22 . THR A1 1 14 ? -31.021 12.372 -22.785 1.0 12.23 ? 14 A 3 -ATOM 216 H HG23 . THR A1 1 14 ? -29.26 12.321 -22.877 1.0 12.42 ? 14 A 3 -ATOM 217 N N . GLY A1 1 15 ? -28.143 15.611 -19.167 1.0 61.2 ? 15 A 3 -ATOM 218 C CA . GLY A1 1 15 ? -27.924 15.985 -17.782 1.0 25.44 ? 15 A 3 -ATOM 219 C C . GLY A1 1 15 ? -27.82 14.782 -16.866 1.0 2.34 ? 15 A 3 -ATOM 220 O O . GLY A1 1 15 ? -28.571 14.662 -15.898 1.0 24.03 ? 15 A 3 -ATOM 221 H H . GLY A1 1 15 ? -27.419 15.71 -19.82 1.0 73.22 ? 15 A 3 -ATOM 222 H HA2 . GLY A1 1 15 ? -27.009 16.555 -17.716 1.0 10.15 ? 15 A 3 -ATOM 223 H HA3 . GLY A1 1 15 ? -28.746 16.603 -17.454 1.0 23.53 ? 15 A 3 -ATOM 224 N N . LYS A1 1 16 ? -26.888 13.886 -17.172 1.0 11.21 ? 16 A 3 -ATOM 225 C CA . LYS A1 1 16 ? -26.688 12.685 -16.37 1.0 34.13 ? 16 A 3 -ATOM 226 C C . LYS A1 1 16 ? -25.243 12.586 -15.89 1.0 15.24 ? 16 A 3 -ATOM 227 O O . LYS A1 1 16 ? -24.314 12.512 -16.694 1.0 50.04 ? 16 A 3 -ATOM 228 C CB . LYS A1 1 16 ? -27.053 11.439 -17.18 1.0 31.42 ? 16 A 3 -ATOM 229 C CG . LYS A1 1 16 ? -27.658 10.325 -16.343 1.0 73.35 ? 16 A 3 -ATOM 230 C CD . LYS A1 1 16 ? -26.585 9.413 -15.771 1.0 50.3 ? 16 A 3 -ATOM 231 C CE . LYS A1 1 16 ? -25.896 8.61 -16.863 1.0 52.44 ? 16 A 3 -ATOM 232 N NZ . LYS A1 1 16 ? -26.284 7.173 -16.823 1.0 2.53 ? 16 A 3 -ATOM 233 H H . LYS A1 1 16 ? -26.319 14.037 -17.957 1.0 52.54 ? 16 A 3 -ATOM 234 H HA . LYS A1 1 16 ? -27.337 12.748 -15.51 1.0 34.34 ? 16 A 3 -ATOM 235 H HB2 . LYS A1 1 16 ? -27.767 11.716 -17.942 1.0 44.24 ? 16 A 3 -ATOM 236 H HB3 . LYS A1 1 16 ? -26.161 11.059 -17.656 1.0 12.13 ? 16 A 3 -ATOM 237 H HG2 . LYS A1 1 16 ? -28.216 10.761 -15.528 1.0 3.41 ? 16 A 3 -ATOM 238 H HG3 . LYS A1 1 16 ? -28.321 9.74 -16.964 1.0 74.14 ? 16 A 3 -ATOM 239 H HD2 . LYS A1 1 16 ? -25.847 10.015 -15.262 1.0 63.23 ? 16 A 3 -ATOM 240 H HD3 . LYS A1 1 16 ? -27.043 8.731 -15.068 1.0 14.51 ? 16 A 3 -ATOM 241 H HE2 . LYS A1 1 16 ? -26.169 9.022 -17.822 1.0 44.12 ? 16 A 3 -ATOM 242 H HE3 . LYS A1 1 16 ? -24.827 8.689 -16.729 1.0 75.31 ? 16 A 3 -ATOM 243 H HZ1 . LYS A1 1 16 ? -26.977 7.01 -16.065 1.0 61.55 ? 16 A 3 -ATOM 244 H HZ2 . LYS A1 1 16 ? -25.447 6.581 -16.646 1.0 23.15 ? 16 A 3 -ATOM 245 H HZ3 . LYS A1 1 16 ? -26.706 6.892 -17.731 1.0 43.23 ? 16 A 3 -ATOM 246 N N . THR A1 1 17 ? -25.061 12.584 -14.573 1.0 33.03 ? 17 A 3 -ATOM 247 C CA . THR A1 1 17 ? -23.731 12.493 -13.985 1.0 61.21 ? 17 A 3 -ATOM 248 C C . THR A1 1 17 ? -23.31 11.04 -13.798 1.0 13.11 ? 17 A 3 -ATOM 249 O O . THR A1 1 17 ? -23.954 10.287 -13.067 1.0 32.24 ? 17 A 3 -ATOM 250 C CB . THR A1 1 17 ? -23.667 13.214 -12.625 1.0 22.54 ? 17 A 3 -ATOM 251 O OG1 . THR A1 1 17 ? -24.959 13.21 -12.008 1.0 24.32 ? 17 A 3 -ATOM 252 C CG2 . THR A1 1 17 ? -23.184 14.647 -12.794 1.0 72.42 ? 17 A 3 -ATOM 253 H H . THR A1 1 17 ? -25.842 12.645 -13.983 1.0 63.53 ? 17 A 3 -ATOM 254 H HA . THR A1 1 17 ? -23.036 12.975 -14.658 1.0 15.15 ? 17 A 3 -ATOM 255 H HB . THR A1 1 17 ? -22.97 12.688 -11.989 1.0 61.22 ? 17 A 3 -ATOM 256 H HG1 . THR A1 1 17 ? -24.873 12.949 -11.088 1.0 54.0 ? 17 A 3 -ATOM 257 H HG21 . THR A1 1 17 ? -22.689 14.749 -13.748 1.0 31.34 ? 17 A 3 -ATOM 258 H HG22 . THR A1 1 17 ? -22.492 14.889 -12.002 1.0 12.24 ? 17 A 3 -ATOM 259 H HG23 . THR A1 1 17 ? -24.029 15.318 -12.753 1.0 74.01 ? 17 A 3 -ATOM 260 N N . ILE A1 1 18 ? -22.226 10.653 -14.461 1.0 21.15 ? 18 A 3 -ATOM 261 C CA . ILE A1 1 18 ? -21.719 9.289 -14.365 1.0 42.23 ? 18 A 3 -ATOM 262 C C . ILE A1 1 18 ? -20.256 9.276 -13.934 1.0 2.02 ? 18 A 3 -ATOM 263 O O . ILE A1 1 18 ? -19.463 10.114 -14.363 1.0 34.24 ? 18 A 3 -ATOM 264 C CB . ILE A1 1 18 ? -21.854 8.543 -15.705 1.0 20.13 ? 18 A 3 -ATOM 265 C CG1 . ILE A1 1 18 ? -21.079 7.225 -15.66 1.0 0.43 ? 18 A 3 -ATOM 266 C CG2 . ILE A1 1 18 ? -21.361 9.415 -16.85 1.0 34.34 ? 18 A 3 -ATOM 267 C CD1 . ILE A1 1 18 ? -21.335 6.332 -16.854 1.0 41.12 ? 18 A 3 -ATOM 268 H H . ILE A1 1 18 ? -21.756 11.299 -15.028 1.0 72.35 ? 18 A 3 -ATOM 269 H HA . ILE A1 1 18 ? -22.306 8.767 -13.624 1.0 33.1 ? 18 A 3 -ATOM 270 H HB . ILE A1 1 18 ? -22.9 8.332 -15.87 1.0 55.23 ? 18 A 3 -ATOM 271 H HG12 . ILE A1 1 18 ? -20.022 7.437 -15.627 1.0 35.45 ? 18 A 3 -ATOM 272 H HG13 . ILE A1 1 18 ? -21.361 6.68 -14.771 1.0 15.51 ? 18 A 3 -ATOM 273 H HG21 . ILE A1 1 18 ? -21.199 8.803 -17.725 1.0 31.24 ? 18 A 3 -ATOM 274 H HG22 . ILE A1 1 18 ? -22.1 10.17 -17.071 1.0 60.32 ? 18 A 3 -ATOM 275 H HG23 . ILE A1 1 18 ? -20.434 9.891 -16.567 1.0 71.44 ? 18 A 3 -ATOM 276 H HD11 . ILE A1 1 18 ? -20.396 5.935 -17.215 1.0 32.31 ? 18 A 3 -ATOM 277 H HD12 . ILE A1 1 18 ? -21.981 5.517 -16.563 1.0 60.24 ? 18 A 3 -ATOM 278 H HD13 . ILE A1 1 18 ? -21.807 6.904 -17.638 1.0 25.35 ? 18 A 3 -ATOM 279 N N . THR A1 1 19 ? -19.904 8.317 -13.083 1.0 42.32 ? 19 A 3 -ATOM 280 C CA . THR A1 1 19 ? -18.537 8.193 -12.594 1.0 41.24 ? 19 A 3 -ATOM 281 C C . THR A1 1 19 ? -17.882 6.917 -13.11 1.0 70.21 ? 19 A 3 -ATOM 282 O O . THR A1 1 19 ? -18.51 5.858 -13.15 1.0 44.42 ? 19 A 3 -ATOM 283 C CB . THR A1 1 19 ? -18.489 8.195 -11.055 1.0 2.4 ? 19 A 3 -ATOM 284 O OG1 . THR A1 1 19 ? -19.681 8.787 -10.528 1.0 22.32 ? 19 A 3 -ATOM 285 C CG2 . THR A1 1 19 ? -17.273 8.958 -10.552 1.0 13.14 ? 19 A 3 -ATOM 286 H H . THR A1 1 19 ? -20.582 7.678 -12.778 1.0 1.15 ? 19 A 3 -ATOM 287 H HA . THR A1 1 19 ? -17.976 9.044 -12.952 1.0 65.43 ? 19 A 3 -ATOM 288 H HB . THR A1 1 19 ? -18.421 7.173 -10.71 1.0 44.24 ? 19 A 3 -ATOM 289 H HG1 . THR A1 1 19 ? -19.899 9.573 -11.035 1.0 60.25 ? 19 A 3 -ATOM 290 H HG21 . THR A1 1 19 ? -16.381 8.38 -10.744 1.0 73.33 ? 19 A 3 -ATOM 291 H HG22 . THR A1 1 19 ? -17.369 9.13 -9.49 1.0 23.45 ? 19 A 3 -ATOM 292 H HG23 . THR A1 1 19 ? -17.205 9.906 -11.066 1.0 51.03 ? 19 A 3 -ATOM 293 N N . ILE A1 1 20 ? -16.617 7.023 -13.503 1.0 2.13 ? 20 A 3 -ATOM 294 C CA . ILE A1 1 20 ? -15.878 5.876 -14.015 1.0 23.24 ? 20 A 3 -ATOM 295 C C . ILE A1 1 20 ? -14.422 5.914 -13.561 1.0 21.51 ? 20 A 3 -ATOM 296 O O . ILE A1 1 20 ? -13.753 6.942 -13.674 1.0 3.54 ? 20 A 3 -ATOM 297 C CB . ILE A1 1 20 ? -15.923 5.818 -15.553 1.0 55.55 ? 20 A 3 -ATOM 298 C CG1 . ILE A1 1 20 ? -15.886 7.23 -16.14 1.0 1.5 ? 20 A 3 -ATOM 299 C CG2 . ILE A1 1 20 ? -17.168 5.078 -16.019 1.0 1.32 ? 20 A 3 -ATOM 300 C CD1 . ILE A1 1 20 ? -15.143 7.319 -17.455 1.0 2.4 ? 20 A 3 -ATOM 301 H H . ILE A1 1 20 ? -16.171 7.894 -13.447 1.0 32.52 ? 20 A 3 -ATOM 302 H HA . ILE A1 1 20 ? -16.341 4.981 -13.627 1.0 40.32 ? 20 A 3 -ATOM 303 H HB . ILE A1 1 20 ? -15.058 5.27 -15.896 1.0 75.22 ? 20 A 3 -ATOM 304 H HG12 . ILE A1 1 20 ? -16.895 7.571 -16.307 1.0 4.24 ? 20 A 3 -ATOM 305 H HG13 . ILE A1 1 20 ? -15.398 7.891 -15.438 1.0 20.02 ? 20 A 3 -ATOM 306 H HG21 . ILE A1 1 20 ? -17.984 5.777 -16.123 1.0 41.11 ? 20 A 3 -ATOM 307 H HG22 . ILE A1 1 20 ? -16.972 4.61 -16.972 1.0 51.34 ? 20 A 3 -ATOM 308 H HG23 . ILE A1 1 20 ? -17.43 4.323 -15.293 1.0 74.34 ? 20 A 3 -ATOM 309 H HD11 . ILE A1 1 20 ? -14.079 7.313 -17.268 1.0 44.23 ? 20 A 3 -ATOM 310 H HD12 . ILE A1 1 20 ? -15.403 6.472 -18.074 1.0 43.31 ? 20 A 3 -ATOM 311 H HD13 . ILE A1 1 20 ? -15.414 8.232 -17.962 1.0 23.14 ? 20 A 3 -ATOM 312 N N . ASP A1 1 21 ? -13.938 4.788 -13.051 1.0 44.41 ? 21 A 3 -ATOM 313 C CA . ASP A1 1 21 ? -12.56 4.69 -12.583 1.0 13.43 ? 21 A 3 -ATOM 314 C C . ASP A1 1 21 ? -11.613 4.393 -13.741 1.0 74.52 ? 21 A 3 -ATOM 315 O O . ASP A1 1 21 ? -11.738 3.368 -14.411 1.0 3.25 ? 21 A 3 -ATOM 316 C CB . ASP A1 1 21 ? -12.438 3.603 -11.514 1.0 40.32 ? 21 A 3 -ATOM 317 C CG . ASP A1 1 21 ? -12.884 2.244 -12.018 1.0 70.32 ? 21 A 3 -ATOM 318 O OD1 . ASP A1 1 21 ? -14.108 2.008 -12.082 1.0 34.41 ? 21 A 3 -ATOM 319 O OD2 . ASP A1 1 21 ? -12.008 1.416 -12.347 1.0 4.34 ? 21 A 3 -ATOM 320 H H . ASP A1 1 21 ? -14.521 4.002 -12.988 1.0 61.24 ? 21 A 3 -ATOM 321 H HA . ASP A1 1 21 ? -12.29 5.641 -12.148 1.0 0.1 ? 21 A 3 -ATOM 322 H HB2 . ASP A1 1 21 ? -11.406 3.529 -11.202 1.0 73.15 ? 21 A 3 -ATOM 323 H HB3 . ASP A1 1 21 ? -13.049 3.871 -10.665 1.0 61.23 ? 21 A 3 -ATOM 324 N N . VAL A1 1 22 ? -10.665 5.296 -13.971 1.0 30.34 ? 22 A 3 -ATOM 325 C CA . VAL A1 1 22 ? -9.696 5.131 -15.047 1.0 1.34 ? 22 A 3 -ATOM 326 C C . VAL A1 1 22 ? -8.27 5.287 -14.532 1.0 61.2 ? 22 A 3 -ATOM 327 O O . VAL A1 1 22 ? -8.045 5.844 -13.457 1.0 34.03 ? 22 A 3 -ATOM 328 C CB . VAL A1 1 22 ? -9.936 6.147 -16.179 1.0 60.13 ? 22 A 3 -ATOM 329 C CG1 . VAL A1 1 22 ? -11.384 6.613 -16.181 1.0 14.0 ? 22 A 3 -ATOM 330 C CG2 . VAL A1 1 22 ? -8.987 7.329 -16.043 1.0 61.12 ? 22 A 3 -ATOM 331 H H . VAL A1 1 22 ? -10.616 6.093 -13.402 1.0 71.0 ? 22 A 3 -ATOM 332 H HA . VAL A1 1 22 ? -9.815 4.137 -15.454 1.0 41.13 ? 22 A 3 -ATOM 333 H HB . VAL A1 1 22 ? -9.737 5.659 -17.122 1.0 23.42 ? 22 A 3 -ATOM 334 H HG11 . VAL A1 1 22 ? -11.548 7.28 -15.348 1.0 3.13 ? 22 A 3 -ATOM 335 H HG12 . VAL A1 1 22 ? -11.595 7.131 -17.106 1.0 11.12 ? 22 A 3 -ATOM 336 H HG13 . VAL A1 1 22 ? -12.037 5.757 -16.091 1.0 2.3 ? 22 A 3 -ATOM 337 H HG21 . VAL A1 1 22 ? -8.944 7.639 -15.01 1.0 43.3 ? 22 A 3 -ATOM 338 H HG22 . VAL A1 1 22 ? -8.002 7.038 -16.374 1.0 71.52 ? 22 A 3 -ATOM 339 H HG23 . VAL A1 1 22 ? -9.343 8.148 -16.651 1.0 24.41 ? 22 A 3 -ATOM 340 N N . ASP A1 1 23 ? -7.31 4.793 -15.306 1.0 73.14 ? 23 A 3 -ATOM 341 C CA . ASP A1 1 23 ? -5.904 4.879 -14.929 1.0 0.33 ? 23 A 3 -ATOM 342 C C . ASP A1 1 23 ? -5.122 5.719 -15.934 1.0 62.12 ? 23 A 3 -ATOM 343 O O . ASP A1 1 23 ? -5.577 5.946 -17.056 1.0 35.34 ? 23 A 3 -ATOM 344 C CB . ASP A1 1 23 ? -5.294 3.48 -14.83 1.0 24.44 ? 23 A 3 -ATOM 345 C CG . ASP A1 1 23 ? -4.363 3.336 -13.642 1.0 11.25 ? 23 A 3 -ATOM 346 O OD1 . ASP A1 1 23 ? -3.876 4.372 -13.142 1.0 71.52 ? 23 A 3 -ATOM 347 O OD2 . ASP A1 1 23 ? -4.122 2.189 -13.212 1.0 54.12 ? 23 A 3 -ATOM 348 H H . ASP A1 1 23 ? -7.553 4.36 -16.151 1.0 71.31 ? 23 A 3 -ATOM 349 H HA . ASP A1 1 23 ? -5.848 5.354 -13.961 1.0 62.03 ? 23 A 3 -ATOM 350 H HB2 . ASP A1 1 23 ? -6.088 2.754 -14.732 1.0 75.32 ? 23 A 3 -ATOM 351 H HB3 . ASP A1 1 23 ? -4.733 3.274 -15.731 1.0 32.1 ? 23 A 3 -ATOM 352 N N . HIS A1 1 24 ? -3.944 6.178 -15.525 1.0 3.42 ? 24 A 3 -ATOM 353 C CA . HIS A1 1 24 ? -3.098 6.993 -16.389 1.0 64.1 ? 24 A 3 -ATOM 354 C C . HIS A1 1 24 ? -2.731 6.235 -17.662 1.0 13.22 ? 24 A 3 -ATOM 355 O O . HIS A1 1 24 ? -2.305 6.832 -18.65 1.0 40.32 ? 24 A 3 -ATOM 356 C CB . HIS A1 1 24 ? -1.829 7.414 -15.648 1.0 43.52 ? 24 A 3 -ATOM 357 C CG . HIS A1 1 24 ? -0.854 6.295 -15.447 1.0 63.23 ? 24 A 3 -ATOM 358 N ND1 . HIS A1 1 24 ? 0.433 6.321 -15.939 1.0 33.23 ? 24 A 3 -ATOM 359 C CD2 . HIS A1 1 24 ? -0.985 5.112 -14.801 1.0 70.35 ? 24 A 3 -ATOM 360 C CE1 . HIS A1 1 24 ? 1.052 5.202 -15.606 1.0 52.22 ? 24 A 3 -ATOM 361 N NE2 . HIS A1 1 24 ? 0.214 4.452 -14.914 1.0 51.1 ? 24 A 3 -ATOM 362 H H . HIS A1 1 24 ? -3.635 5.963 -14.62 1.0 35.01 ? 24 A 3 -ATOM 363 H HA . HIS A1 1 24 ? -3.656 7.877 -16.66 1.0 52.33 ? 24 A 3 -ATOM 364 H HB2 . HIS A1 1 24 ? -1.331 8.189 -16.211 1.0 74.33 ? 24 A 3 -ATOM 365 H HB3 . HIS A1 1 24 ? -2.099 7.799 -14.675 1.0 2.24 ? 24 A 3 -ATOM 366 H HD1 . HIS A1 1 24 ? 0.833 7.05 -16.457 1.0 61.24 ? 24 A 3 -ATOM 367 H HD2 . HIS A1 1 24 ? -1.868 4.754 -14.291 1.0 14.35 ? 24 A 3 -ATOM 368 H HE1 . HIS A1 1 24 ? 2.071 4.944 -15.855 1.0 73.24 ? 24 A 3 -ATOM 369 N N . ALA A1 1 25 ? -2.899 4.917 -17.629 1.0 63.43 ? 25 A 3 -ATOM 370 C CA . ALA A1 1 25 ? -2.587 4.078 -18.779 1.0 43.32 ? 25 A 3 -ATOM 371 C C . ALA A1 1 25 ? -3.812 3.883 -19.665 1.0 33.54 ? 25 A 3 -ATOM 372 O O . ALA A1 1 25 ? -3.779 3.113 -20.625 1.0 12.23 ? 25 A 3 -ATOM 373 C CB . ALA A1 1 25 ? -2.046 2.733 -18.319 1.0 51.34 ? 25 A 3 -ATOM 374 H H . ALA A1 1 25 ? -3.243 4.5 -16.812 1.0 55.41 ? 25 A 3 -ATOM 375 H HA . ALA A1 1 25 ? -1.815 4.572 -19.352 1.0 23.12 ? 25 A 3 -ATOM 376 H HB1 . ALA A1 1 25 ? -2.759 2.267 -17.654 1.0 42.21 ? 25 A 3 -ATOM 377 H HB2 . ALA A1 1 25 ? -1.885 2.097 -19.178 1.0 3.14 ? 25 A 3 -ATOM 378 H HB3 . ALA A1 1 25 ? -1.111 2.879 -17.8 1.0 44.44 ? 25 A 3 -ATOM 379 N N . ASP A1 1 26 ? -4.891 4.585 -19.337 1.0 53.31 ? 26 A 3 -ATOM 380 C CA . ASP A1 1 26 ? -6.128 4.489 -20.104 1.0 71.32 ? 26 A 3 -ATOM 381 C C . ASP A1 1 26 ? -6.412 5.793 -20.843 1.0 31.24 ? 26 A 3 -ATOM 382 O O . ASP A1 1 26 ? -6.595 6.843 -20.225 1.0 53.43 ? 26 A 3 -ATOM 383 C CB . ASP A1 1 26 ? -7.299 4.145 -19.183 1.0 21.1 ? 26 A 3 -ATOM 384 C CG . ASP A1 1 26 ? -7.126 2.801 -18.503 1.0 73.54 ? 26 A 3 -ATOM 385 O OD1 . ASP A1 1 26 ? -7.359 1.768 -19.165 1.0 73.22 ? 26 A 3 -ATOM 386 O OD2 . ASP A1 1 26 ? -6.758 2.782 -17.31 1.0 2.02 ? 26 A 3 -ATOM 387 H H . ASP A1 1 26 ? -4.855 5.182 -18.561 1.0 73.33 ? 26 A 3 -ATOM 388 H HA . ASP A1 1 26 ? -6.008 3.698 -20.829 1.0 35.3 ? 26 A 3 -ATOM 389 H HB2 . ASP A1 1 26 ? -7.383 4.905 -18.419 1.0 71.15 ? 26 A 3 -ATOM 390 H HB3 . ASP A1 1 26 ? -8.21 4.121 -19.763 1.0 51.4 ? 26 A 3 -ATOM 391 N N . THR A1 1 27 ? -6.446 5.721 -22.17 1.0 11.22 ? 27 A 3 -ATOM 392 C CA . THR A1 1 27 ? -6.705 6.895 -22.993 1.0 12.11 ? 27 A 3 -ATOM 393 C C . THR A1 1 27 ? -8.199 7.178 -23.093 1.0 24.55 ? 27 A 3 -ATOM 394 O O . THR A1 1 27 ? -9.025 6.355 -22.696 1.0 14.34 ? 27 A 3 -ATOM 395 C CB . THR A1 1 27 ? -6.131 6.724 -24.412 1.0 24.42 ? 27 A 3 -ATOM 396 O OG1 . THR A1 1 27 ? -6.188 5.347 -24.801 1.0 51.41 ? 27 A 3 -ATOM 397 C CG2 . THR A1 1 27 ? -4.692 7.215 -24.477 1.0 72.22 ? 27 A 3 -ATOM 398 H H . THR A1 1 27 ? -6.292 4.856 -22.604 1.0 1.33 ? 27 A 3 -ATOM 399 H HA . THR A1 1 27 ? -6.218 7.741 -22.53 1.0 54.42 ? 27 A 3 -ATOM 400 H HB . THR A1 1 27 ? -6.726 7.31 -25.098 1.0 51.23 ? 27 A 3 -ATOM 401 H HG1 . THR A1 1 27 ? -7.069 5.143 -25.125 1.0 23.44 ? 27 A 3 -ATOM 402 H HG21 . THR A1 1 27 ? -4.641 8.229 -24.111 1.0 20.21 ? 27 A 3 -ATOM 403 H HG22 . THR A1 1 27 ? -4.346 7.183 -25.499 1.0 40.31 ? 27 A 3 -ATOM 404 H HG23 . THR A1 1 27 ? -4.068 6.58 -23.866 1.0 53.14 ? 27 A 3 -ATOM 405 N N . VAL A1 1 28 ? -8.541 8.347 -23.625 1.0 70.04 ? 28 A 3 -ATOM 406 C CA . VAL A1 1 28 ? -9.938 8.738 -23.779 1.0 40.12 ? 28 A 3 -ATOM 407 C C . VAL A1 1 28 ? -10.735 7.656 -24.499 1.0 43.3 ? 28 A 3 -ATOM 408 O O . VAL A1 1 28 ? -11.825 7.283 -24.068 1.0 51.44 ? 28 A 3 -ATOM 409 C CB . VAL A1 1 28 ? -10.068 10.061 -24.557 1.0 70.14 ? 28 A 3 -ATOM 410 C CG1 . VAL A1 1 28 ? -11.457 10.653 -24.374 1.0 13.41 ? 28 A 3 -ATOM 411 C CG2 . VAL A1 1 28 ? -8.997 11.046 -24.114 1.0 73.55 ? 28 A 3 -ATOM 412 H H . VAL A1 1 28 ? -7.838 8.961 -23.923 1.0 50.23 ? 28 A 3 -ATOM 413 H HA . VAL A1 1 28 ? -10.355 8.882 -22.792 1.0 62.42 ? 28 A 3 -ATOM 414 H HB . VAL A1 1 28 ? -9.925 9.853 -25.607 1.0 52.41 ? 28 A 3 -ATOM 415 H HG11 . VAL A1 1 28 ? -11.525 11.119 -23.402 1.0 72.32 ? 28 A 3 -ATOM 416 H HG12 . VAL A1 1 28 ? -11.638 11.391 -25.142 1.0 75.12 ? 28 A 3 -ATOM 417 H HG13 . VAL A1 1 28 ? -12.195 9.868 -24.448 1.0 43.12 ? 28 A 3 -ATOM 418 H HG21 . VAL A1 1 28 ? -8.91 11.024 -23.038 1.0 22.23 ? 28 A 3 -ATOM 419 H HG22 . VAL A1 1 28 ? -8.052 10.773 -24.558 1.0 21.24 ? 28 A 3 -ATOM 420 H HG23 . VAL A1 1 28 ? -9.27 12.042 -24.433 1.0 51.43 ? 28 A 3 -ATOM 421 N N . GLY A1 1 29 ? -10.183 7.156 -25.601 1.0 51.02 ? 29 A 3 -ATOM 422 C CA . GLY A1 1 29 ? -10.856 6.122 -26.364 1.0 24.21 ? 29 A 3 -ATOM 423 C C . GLY A1 1 29 ? -11.404 5.016 -25.484 1.0 62.32 ? 29 A 3 -ATOM 424 O O . GLY A1 1 29 ? -12.575 4.653 -25.589 1.0 1.41 ? 29 A 3 -ATOM 425 H H . GLY A1 1 29 ? -9.311 7.493 -25.897 1.0 25.44 ? 29 A 3 -ATOM 426 H HA2 . GLY A1 1 29 ? -11.672 6.568 -26.913 1.0 33.14 ? 29 A 3 -ATOM 427 H HA3 . GLY A1 1 29 ? -10.155 5.694 -27.065 1.0 61.11 ? 29 A 3 -ATOM 428 N N . ALA A1 1 30 ? -10.554 4.477 -24.616 1.0 0.3 ? 30 A 3 -ATOM 429 C CA . ALA A1 1 30 ? -10.959 3.406 -23.715 1.0 24.42 ? 30 A 3 -ATOM 430 C C . ALA A1 1 30 ? -12.072 3.867 -22.779 1.0 23.15 ? 30 A 3 -ATOM 431 O O . ALA A1 1 30 ? -12.967 3.095 -22.434 1.0 23.32 ? 30 A 3 -ATOM 432 C CB . ALA A1 1 30 ? -9.765 2.91 -22.913 1.0 4.23 ? 30 A 3 -ATOM 433 H H . ALA A1 1 30 ? -9.633 4.809 -24.58 1.0 13.0 ? 30 A 3 -ATOM 434 H HA . ALA A1 1 30 ? -11.325 2.585 -24.315 1.0 42.35 ? 30 A 3 -ATOM 435 H HB1 . ALA A1 1 30 ? -10.052 2.037 -22.344 1.0 24.3 ? 30 A 3 -ATOM 436 H HB2 . ALA A1 1 30 ? -8.961 2.652 -23.587 1.0 15.25 ? 30 A 3 -ATOM 437 H HB3 . ALA A1 1 30 ? -9.436 3.687 -22.24 1.0 54.13 ? 30 A 3 -ATOM 438 N N . VAL A1 1 31 ? -12.009 5.13 -22.371 1.0 44.02 ? 31 A 3 -ATOM 439 C CA . VAL A1 1 31 ? -13.012 5.695 -21.475 1.0 44.43 ? 31 A 3 -ATOM 440 C C . VAL A1 1 31 ? -14.381 5.741 -22.143 1.0 22.33 ? 31 A 3 -ATOM 441 O O . VAL A1 1 31 ? -15.39 5.371 -21.543 1.0 41.34 ? 31 A 3 -ATOM 442 C CB . VAL A1 1 31 ? -12.625 7.115 -21.023 1.0 42.01 ? 31 A 3 -ATOM 443 C CG1 . VAL A1 1 31 ? -13.765 7.76 -20.25 1.0 61.22 ? 31 A 3 -ATOM 444 C CG2 . VAL A1 1 31 ? -11.355 7.08 -20.186 1.0 34.2 ? 31 A 3 -ATOM 445 H H . VAL A1 1 31 ? -11.272 5.697 -22.68 1.0 33.11 ? 31 A 3 -ATOM 446 H HA . VAL A1 1 31 ? -13.07 5.065 -20.6 1.0 53.53 ? 31 A 3 -ATOM 447 H HB . VAL A1 1 31 ? -12.434 7.712 -21.903 1.0 34.14 ? 31 A 3 -ATOM 448 H HG11 . VAL A1 1 31 ? -14.47 6.999 -19.949 1.0 24.43 ? 31 A 3 -ATOM 449 H HG12 . VAL A1 1 31 ? -13.372 8.256 -19.375 1.0 62.24 ? 31 A 3 -ATOM 450 H HG13 . VAL A1 1 31 ? -14.264 8.481 -20.88 1.0 4.44 ? 31 A 3 -ATOM 451 H HG21 . VAL A1 1 31 ? -11.219 6.089 -19.779 1.0 32.4 ? 31 A 3 -ATOM 452 H HG22 . VAL A1 1 31 ? -10.509 7.334 -20.806 1.0 31.51 ? 31 A 3 -ATOM 453 H HG23 . VAL A1 1 31 ? -11.436 7.793 -19.378 1.0 2.41 ? 31 A 3 -ATOM 454 N N . LYS A1 1 32 ? -14.41 6.199 -23.39 1.0 44.33 ? 32 A 3 -ATOM 455 C CA . LYS A1 1 32 ? -15.656 6.294 -24.143 1.0 33.41 ? 32 A 3 -ATOM 456 C C . LYS A1 1 32 ? -16.363 4.943 -24.195 1.0 33.52 ? 32 A 3 -ATOM 457 O O . LYS A1 1 32 ? -17.582 4.864 -24.041 1.0 55.22 ? 32 A 3 -ATOM 458 C CB . LYS A1 1 32 ? -15.381 6.792 -25.563 1.0 21.43 ? 32 A 3 -ATOM 459 C CG . LYS A1 1 32 ? -16.03 8.13 -25.874 1.0 62.04 ? 32 A 3 -ATOM 460 C CD . LYS A1 1 32 ? -15.025 9.267 -25.802 1.0 13.3 ? 32 A 3 -ATOM 461 C CE . LYS A1 1 32 ? -14.634 9.754 -27.189 1.0 61.02 ? 32 A 3 -ATOM 462 N NZ . LYS A1 1 32 ? -15.773 10.409 -27.889 1.0 10.13 ? 32 A 3 -ATOM 463 H H . LYS A1 1 32 ? -13.572 6.48 -23.815 1.0 0.43 ? 32 A 3 -ATOM 464 H HA . LYS A1 1 32 ? -16.295 7.002 -23.639 1.0 20.21 ? 32 A 3 -ATOM 465 H HB2 . LYS A1 1 32 ? -14.314 6.894 -25.696 1.0 31.13 ? 32 A 3 -ATOM 466 H HB3 . LYS A1 1 32 ? -15.755 6.062 -26.267 1.0 51.43 ? 32 A 3 -ATOM 467 H HG2 . LYS A1 1 32 ? -16.446 8.095 -26.87 1.0 34.55 ? 32 A 3 -ATOM 468 H HG3 . LYS A1 1 32 ? -16.818 8.312 -25.158 1.0 75.31 ? 32 A 3 -ATOM 469 H HD2 . LYS A1 1 32 ? -15.462 10.089 -25.255 1.0 62.53 ? 32 A 3 -ATOM 470 H HD3 . LYS A1 1 32 ? -14.139 8.922 -25.288 1.0 34.24 ? 32 A 3 -ATOM 471 H HE2 . LYS A1 1 32 ? -13.826 10.464 -27.092 1.0 32.35 ? 32 A 3 -ATOM 472 H HE3 . LYS A1 1 32 ? -14.302 8.909 -27.773 1.0 31.14 ? 32 A 3 -ATOM 473 H HZ1 . LYS A1 1 32 ? -16.226 9.738 -28.541 1.0 3.34 ? 32 A 3 -ATOM 474 H HZ2 . LYS A1 1 32 ? -15.435 11.229 -28.432 1.0 11.13 ? 32 A 3 -ATOM 475 H HZ3 . LYS A1 1 32 ? -16.478 10.734 -27.197 1.0 13.55 ? 32 A 3 -ATOM 476 N N . ALA A1 1 33 ? -15.591 3.884 -24.411 1.0 34.21 ? 33 A 3 -ATOM 477 C CA . ALA A1 1 33 ? -16.144 2.537 -24.48 1.0 60.31 ? 33 A 3 -ATOM 478 C C . ALA A1 1 33 ? -16.764 2.129 -23.147 1.0 31.03 ? 33 A 3 -ATOM 479 O O . ALA A1 1 33 ? -17.83 1.514 -23.109 1.0 31.32 ? 33 A 3 -ATOM 480 C CB . ALA A1 1 33 ? -15.066 1.544 -24.888 1.0 54.24 ? 33 A 3 -ATOM 481 H H . ALA A1 1 33 ? -14.626 4.011 -24.526 1.0 43.1 ? 33 A 3 -ATOM 482 H HA . ALA A1 1 33 ? -16.912 2.529 -25.24 1.0 53.01 ? 33 A 3 -ATOM 483 H HB1 . ALA A1 1 33 ? -14.17 1.731 -24.315 1.0 2.33 ? 33 A 3 -ATOM 484 H HB2 . ALA A1 1 33 ? -15.412 0.539 -24.698 1.0 61.23 ? 33 A 3 -ATOM 485 H HB3 . ALA A1 1 33 ? -14.851 1.658 -25.94 1.0 53.23 ? 33 A 3 -ATOM 486 N N . LYS A1 1 34 ? -16.09 2.475 -22.056 1.0 30.14 ? 34 A 3 -ATOM 487 C CA . LYS A1 1 34 ? -16.574 2.147 -20.72 1.0 3.41 ? 34 A 3 -ATOM 488 C C . LYS A1 1 34 ? -17.935 2.784 -20.463 1.0 51.04 ? 34 A 3 -ATOM 489 O O . LYS A1 1 34 ? -18.841 2.142 -19.929 1.0 30.3 ? 34 A 3 -ATOM 490 C CB . LYS A1 1 34 ? -15.572 2.614 -19.663 1.0 63.02 ? 34 A 3 -ATOM 491 C CG . LYS A1 1 34 ? -15.963 2.237 -18.245 1.0 24.43 ? 34 A 3 -ATOM 492 C CD . LYS A1 1 34 ? -15.881 0.736 -18.024 1.0 44.42 ? 34 A 3 -ATOM 493 C CE . LYS A1 1 34 ? -14.45 0.233 -18.143 1.0 34.12 ? 34 A 3 -ATOM 494 N NZ . LYS A1 1 34 ? -14.285 -1.117 -17.537 1.0 13.0 ? 34 A 3 -ATOM 495 H H . LYS A1 1 34 ? -15.246 2.965 -22.151 1.0 65.25 ? 34 A 3 -ATOM 496 H HA . LYS A1 1 34 ? -16.675 1.074 -20.659 1.0 3.22 ? 34 A 3 -ATOM 497 H HB2 . LYS A1 1 34 ? -14.609 2.175 -19.877 1.0 71.03 ? 34 A 3 -ATOM 498 H HB3 . LYS A1 1 34 ? -15.486 3.69 -19.716 1.0 71.12 ? 34 A 3 -ATOM 499 H HG2 . LYS A1 1 34 ? -15.296 2.729 -17.553 1.0 24.23 ? 34 A 3 -ATOM 500 H HG3 . LYS A1 1 34 ? -16.978 2.564 -18.062 1.0 22.21 ? 34 A 3 -ATOM 501 H HD2 . LYS A1 1 34 ? -16.25 0.506 -17.035 1.0 63.43 ? 34 A 3 -ATOM 502 H HD3 . LYS A1 1 34 ? -16.492 0.238 -18.763 1.0 75.33 ? 34 A 3 -ATOM 503 H HE2 . LYS A1 1 34 ? -14.186 0.184 -19.189 1.0 34.14 ? 34 A 3 -ATOM 504 H HE3 . LYS A1 1 34 ? -13.795 0.928 -17.639 1.0 0.12 ? 34 A 3 -ATOM 505 H HZ1 . LYS A1 1 34 ? -15.139 -1.377 -17.005 1.0 62.42 ? 34 A 3 -ATOM 506 H HZ2 . LYS A1 1 34 ? -13.471 -1.12 -16.89 1.0 14.2 ? 34 A 3 -ATOM 507 H HZ3 . LYS A1 1 34 ? -14.124 -1.825 -18.281 1.0 65.2 ? 34 A 3 -ATOM 508 N N . ILE A1 1 35 ? -18.073 4.049 -20.847 1.0 14.42 ? 35 A 3 -ATOM 509 C CA . ILE A1 1 35 ? -19.325 4.771 -20.659 1.0 22.32 ? 35 A 3 -ATOM 510 C C . ILE A1 1 35 ? -20.441 4.166 -21.504 1.0 74.31 ? 35 A 3 -ATOM 511 O O . ILE A1 1 35 ? -21.592 4.094 -21.073 1.0 33.23 ? 35 A 3 -ATOM 512 C CB . ILE A1 1 35 ? -19.175 6.261 -21.019 1.0 42.5 ? 35 A 3 -ATOM 513 C CG1 . ILE A1 1 35 ? -18.031 6.888 -20.219 1.0 22.04 ? 35 A 3 -ATOM 514 C CG2 . ILE A1 1 35 ? -20.478 7.003 -20.76 1.0 45.14 ? 35 A 3 -ATOM 515 C CD1 . ILE A1 1 35 ? -18.219 6.795 -18.721 1.0 11.1 ? 35 A 3 -ATOM 516 H H . ILE A1 1 35 ? -17.316 4.507 -21.266 1.0 54.44 ? 35 A 3 -ATOM 517 H HA . ILE A1 1 35 ? -19.599 4.699 -19.616 1.0 30.01 ? 35 A 3 -ATOM 518 H HB . ILE A1 1 35 ? -18.951 6.334 -22.072 1.0 2.44 ? 35 A 3 -ATOM 519 H HG12 . ILE A1 1 35 ? -17.109 6.388 -20.469 1.0 3.24 ? 35 A 3 -ATOM 520 H HG13 . ILE A1 1 35 ? -17.951 7.934 -20.48 1.0 0.11 ? 35 A 3 -ATOM 521 H HG21 . ILE A1 1 35 ? -21.237 6.299 -20.45 1.0 65.32 ? 35 A 3 -ATOM 522 H HG22 . ILE A1 1 35 ? -20.327 7.734 -19.981 1.0 43.1 ? 35 A 3 -ATOM 523 H HG23 . ILE A1 1 35 ? -20.796 7.499 -21.664 1.0 75.41 ? 35 A 3 -ATOM 524 H HD11 . ILE A1 1 35 ? -17.597 7.533 -18.234 1.0 43.52 ? 35 A 3 -ATOM 525 H HD12 . ILE A1 1 35 ? -19.254 6.979 -18.475 1.0 71.15 ? 35 A 3 -ATOM 526 H HD13 . ILE A1 1 35 ? -17.937 5.809 -18.383 1.0 74.3 ? 35 A 3 -ATOM 527 N N . TYR A1 1 36 ? -20.092 3.73 -22.71 1.0 62.53 ? 36 A 3 -ATOM 528 C CA . TYR A1 1 36 ? -21.064 3.131 -23.616 1.0 64.44 ? 36 A 3 -ATOM 529 C C . TYR A1 1 36 ? -21.758 1.94 -22.962 1.0 53.42 ? 36 A 3 -ATOM 530 O O . TYR A1 1 36 ? -22.979 1.801 -23.036 1.0 34.33 ? 36 A 3 -ATOM 531 C CB . TYR A1 1 36 ? -20.38 2.689 -24.911 1.0 74.42 ? 36 A 3 -ATOM 532 C CG . TYR A1 1 36 ? -20.765 1.295 -25.353 1.0 43.51 ? 36 A 3 -ATOM 533 C CD1 . TYR A1 1 36 ? -22.021 1.036 -25.889 1.0 62.31 ? 36 A 3 -ATOM 534 C CD2 . TYR A1 1 36 ? -19.872 0.237 -25.237 1.0 22.21 ? 36 A 3 -ATOM 535 C CE1 . TYR A1 1 36 ? -22.377 -0.236 -26.293 1.0 25.24 ? 36 A 3 -ATOM 536 C CE2 . TYR A1 1 36 ? -20.219 -1.038 -25.64 1.0 24.41 ? 36 A 3 -ATOM 537 C CZ . TYR A1 1 36 ? -21.472 -1.27 -26.167 1.0 51.0 ? 36 A 3 -ATOM 538 O OH . TYR A1 1 36 ? -21.822 -2.538 -26.57 1.0 31.41 ? 36 A 3 -ATOM 539 H H . TYR A1 1 36 ? -19.16 3.815 -22.998 1.0 42.53 ? 36 A 3 -ATOM 540 H HA . TYR A1 1 36 ? -21.806 3.881 -23.851 1.0 45.34 ? 36 A 3 -ATOM 541 H HB2 . TYR A1 1 36 ? -20.646 3.372 -25.702 1.0 32.41 ? 36 A 3 -ATOM 542 H HB3 . TYR A1 1 36 ? -19.31 2.708 -24.769 1.0 73.31 ? 36 A 3 -ATOM 543 H HD1 . TYR A1 1 36 ? -22.727 1.848 -25.986 1.0 14.41 ? 36 A 3 -ATOM 544 H HD2 . TYR A1 1 36 ? -18.891 0.421 -24.824 1.0 73.43 ? 36 A 3 -ATOM 545 H HE1 . TYR A1 1 36 ? -23.358 -0.417 -26.706 1.0 30.0 ? 36 A 3 -ATOM 546 H HE2 . TYR A1 1 36 ? -19.511 -1.848 -25.542 1.0 11.1 ? 36 A 3 -ATOM 547 H HH . TYR A1 1 36 ? -21.032 -3.024 -26.819 1.0 20.21 ? 36 A 3 -ATOM 548 N N . ASP A1 1 37 ? -20.97 1.085 -22.321 1.0 31.31 ? 37 A 3 -ATOM 549 C CA . ASP A1 1 37 ? -21.507 -0.094 -21.65 1.0 4.3 ? 37 A 3 -ATOM 550 C C . ASP A1 1 37 ? -22.2 0.29 -20.347 1.0 30.32 ? 37 A 3 -ATOM 551 O O . ASP A1 1 37 ? -23.153 -0.363 -19.921 1.0 62.0 ? 37 A 3 -ATOM 552 C CB . ASP A1 1 37 ? -20.391 -1.102 -21.372 1.0 35.43 ? 37 A 3 -ATOM 553 C CG . ASP A1 1 37 ? -20.909 -2.521 -21.249 1.0 34.32 ? 37 A 3 -ATOM 554 O OD1 . ASP A1 1 37 ? -21.504 -3.023 -22.226 1.0 31.12 ? 37 A 3 -ATOM 555 O OD2 . ASP A1 1 37 ? -20.719 -3.131 -20.176 1.0 3.2 ? 37 A 3 -ATOM 556 H H . ASP A1 1 37 ? -20.004 1.25 -22.296 1.0 51.42 ? 37 A 3 -ATOM 557 H HA . ASP A1 1 37 ? -22.233 -0.548 -22.308 1.0 32.24 ? 37 A 3 -ATOM 558 H HB2 . ASP A1 1 37 ? -19.675 -1.069 -22.18 1.0 43.14 ? 37 A 3 -ATOM 559 H HB3 . ASP A1 1 37 ? -19.897 -0.836 -20.449 1.0 34.23 ? 37 A 3 -ATOM 560 N N . LYS A1 1 38 ? -21.713 1.353 -19.715 1.0 33.03 ? 38 A 3 -ATOM 561 C CA . LYS A1 1 38 ? -22.284 1.826 -18.459 1.0 33.5 ? 38 A 3 -ATOM 562 C C . LYS A1 1 38 ? -23.784 2.065 -18.6 1.0 62.1 ? 38 A 3 -ATOM 563 O O . LYS A1 1 38 ? -24.569 1.649 -17.749 1.0 13.24 ? 38 A 3 -ATOM 564 C CB . LYS A1 1 38 ? -21.59 3.115 -18.013 1.0 32.13 ? 38 A 3 -ATOM 565 C CG . LYS A1 1 38 ? -20.811 2.97 -16.718 1.0 11.13 ? 38 A 3 -ATOM 566 C CD . LYS A1 1 38 ? -19.346 2.661 -16.98 1.0 55.11 ? 38 A 3 -ATOM 567 C CE . LYS A1 1 38 ? -19.108 1.166 -17.12 1.0 12.13 ? 38 A 3 -ATOM 568 N NZ . LYS A1 1 38 ? -18.473 0.588 -15.904 1.0 62.42 ? 38 A 3 -ATOM 569 H H . LYS A1 1 38 ? -20.951 1.832 -20.104 1.0 40.1 ? 38 A 3 -ATOM 570 H HA . LYS A1 1 38 ? -22.121 1.063 -17.713 1.0 13.43 ? 38 A 3 -ATOM 571 H HB2 . LYS A1 1 38 ? -20.906 3.428 -18.788 1.0 53.44 ? 38 A 3 -ATOM 572 H HB3 . LYS A1 1 38 ? -22.339 3.882 -17.875 1.0 74.35 ? 38 A 3 -ATOM 573 H HG2 . LYS A1 1 38 ? -20.88 3.893 -16.162 1.0 72.35 ? 38 A 3 -ATOM 574 H HG3 . LYS A1 1 38 ? -21.241 2.165 -16.138 1.0 65.33 ? 38 A 3 -ATOM 575 H HD2 . LYS A1 1 38 ? -19.042 3.15 -17.893 1.0 31.44 ? 38 A 3 -ATOM 576 H HD3 . LYS A1 1 38 ? -18.756 3.035 -16.155 1.0 51.13 ? 38 A 3 -ATOM 577 H HE2 . LYS A1 1 38 ? -20.056 0.678 -17.288 1.0 72.24 ? 38 A 3 -ATOM 578 H HE3 . LYS A1 1 38 ? -18.461 0.996 -17.969 1.0 52.14 ? 38 A 3 -ATOM 579 H HZ1 . LYS A1 1 38 ? -19.198 0.372 -15.19 1.0 12.21 ? 38 A 3 -ATOM 580 H HZ2 . LYS A1 1 38 ? -17.795 1.266 -15.499 1.0 31.3 ? 38 A 3 -ATOM 581 H HZ3 . LYS A1 1 38 ? -17.968 -0.288 -16.146 1.0 72.13 ? 38 A 3 -ATOM 582 N N . GLU A1 1 39 ? -24.173 2.736 -19.679 1.0 74.33 ? 39 A 3 -ATOM 583 C CA . GLU A1 1 39 ? -25.579 3.029 -19.929 1.0 31.43 ? 39 A 3 -ATOM 584 C C . GLU A1 1 39 ? -26.073 2.302 -21.178 1.0 55.55 ? 39 A 3 -ATOM 585 O O . GLU A1 1 39 ? -27.069 1.581 -21.137 1.0 44.25 ? 39 A 3 -ATOM 586 C CB . GLU A1 1 39 ? -25.789 4.536 -20.087 1.0 31.12 ? 39 A 3 -ATOM 587 C CG . GLU A1 1 39 ? -24.713 5.217 -20.916 1.0 22.34 ? 39 A 3 -ATOM 588 C CD . GLU A1 1 39 ? -24.791 6.73 -20.844 1.0 34.02 ? 39 A 3 -ATOM 589 O OE1 . GLU A1 1 39 ? -25.874 7.253 -20.506 1.0 60.52 ? 39 A 3 -ATOM 590 O OE2 . GLU A1 1 39 ? -23.769 7.39 -21.126 1.0 24.54 ? 39 A 3 -ATOM 591 H H . GLU A1 1 39 ? -23.499 3.041 -20.321 1.0 53.12 ? 39 A 3 -ATOM 592 H HA . GLU A1 1 39 ? -26.147 2.683 -19.079 1.0 24.23 ? 39 A 3 -ATOM 593 H HB2 . GLU A1 1 39 ? -26.744 4.707 -20.563 1.0 13.32 ? 39 A 3 -ATOM 594 H HB3 . GLU A1 1 39 ? -25.8 4.99 -19.107 1.0 53.15 ? 39 A 3 -ATOM 595 H HG2 . GLU A1 1 39 ? -23.745 4.905 -20.553 1.0 73.51 ? 39 A 3 -ATOM 596 H HG3 . GLU A1 1 39 ? -24.824 4.914 -21.946 1.0 55.55 ? 39 A 3 -ATOM 597 N N . GLY A1 1 40 ? -25.367 2.499 -22.288 1.0 41.31 ? 40 A 3 -ATOM 598 C CA . GLY A1 1 40 ? -25.748 1.858 -23.532 1.0 23.2 ? 40 A 3 -ATOM 599 C C . GLY A1 1 40 ? -25.929 2.849 -24.664 1.0 54.31 ? 40 A 3 -ATOM 600 O O . GLY A1 1 40 ? -26.94 2.822 -25.367 1.0 62.35 ? 40 A 3 -ATOM 601 H H . GLY A1 1 40 ? -24.582 3.085 -22.261 1.0 1.31 ? 40 A 3 -ATOM 602 H HA2 . GLY A1 1 40 ? -24.982 1.148 -23.808 1.0 42.33 ? 40 A 3 -ATOM 603 H HA3 . GLY A1 1 40 ? -26.678 1.328 -23.381 1.0 42.25 ? 40 A 3 -ATOM 604 N N . ILE A1 1 41 ? -24.948 3.729 -24.84 1.0 11.45 ? 41 A 3 -ATOM 605 C CA . ILE A1 1 41 ? -25.005 4.734 -25.895 1.0 13.21 ? 41 A 3 -ATOM 606 C C . ILE A1 1 41 ? -23.827 4.591 -26.853 1.0 73.14 ? 41 A 3 -ATOM 607 O O . ILE A1 1 41 ? -22.771 4.063 -26.505 1.0 54.03 ? 41 A 3 -ATOM 608 C CB . ILE A1 1 41 ? -25.009 6.16 -25.313 1.0 13.54 ? 41 A 3 -ATOM 609 C CG1 . ILE A1 1 41 ? -23.926 6.301 -24.242 1.0 35.25 ? 41 A 3 -ATOM 610 C CG2 . ILE A1 1 41 ? -26.378 6.492 -24.737 1.0 15.54 ? 41 A 3 -ATOM 611 C CD1 . ILE A1 1 41 ? -23.074 7.541 -24.404 1.0 51.21 ? 41 A 3 -ATOM 612 H H . ILE A1 1 41 ? -24.169 3.7 -24.248 1.0 10.31 ? 41 A 3 -ATOM 613 H HA . ILE A1 1 41 ? -25.923 4.588 -26.445 1.0 22.4 ? 41 A 3 -ATOM 614 H HB . ILE A1 1 41 ? -24.805 6.852 -26.115 1.0 2.22 ? 41 A 3 -ATOM 615 H HG12 . ILE A1 1 41 ? -24.392 6.344 -23.271 1.0 53.25 ? 41 A 3 -ATOM 616 H HG13 . ILE A1 1 41 ? -23.273 5.441 -24.286 1.0 73.21 ? 41 A 3 -ATOM 617 H HG21 . ILE A1 1 41 ? -26.369 6.325 -23.67 1.0 41.34 ? 41 A 3 -ATOM 618 H HG22 . ILE A1 1 41 ? -26.61 7.528 -24.936 1.0 35.01 ? 41 A 3 -ATOM 619 H HG23 . ILE A1 1 41 ? -27.124 5.861 -25.194 1.0 24.24 ? 41 A 3 -ATOM 620 H HD11 . ILE A1 1 41 ? -23.362 8.274 -23.663 1.0 13.35 ? 41 A 3 -ATOM 621 H HD12 . ILE A1 1 41 ? -22.034 7.284 -24.269 1.0 5.02 ? 41 A 3 -ATOM 622 H HD13 . ILE A1 1 41 ? -23.22 7.952 -25.391 1.0 73.01 ? 41 A 3 -ATOM 623 N N . PRO A1 1 42 ? -24.01 5.076 -28.091 1.0 42.01 ? 42 A 3 -ATOM 624 C CA . PRO A1 1 42 ? -22.973 5.016 -29.125 1.0 63.34 ? 42 A 3 -ATOM 625 C C . PRO A1 1 42 ? -21.803 5.948 -28.827 1.0 4.23 ? 42 A 3 -ATOM 626 O O . PRO A1 1 42 ? -21.939 7.172 -28.822 1.0 21.54 ? 42 A 3 -ATOM 627 C CB . PRO A1 1 42 ? -23.707 5.467 -30.39 1.0 63.45 ? 42 A 3 -ATOM 628 C CG . PRO A1 1 42 ? -24.832 6.31 -29.895 1.0 31.23 ? 42 A 3 -ATOM 629 C CD . PRO A1 1 42 ? -25.243 5.719 -28.575 1.0 52.22 ? 42 A 3 -ATOM 630 H HA . PRO A1 1 42 ? -22.604 4.01 -29.26 1.0 60.32 ? 42 A 3 -ATOM 631 H HB2 . PRO A1 1 42 ? -23.034 6.034 -31.017 1.0 50.23 ? 42 A 3 -ATOM 632 H HB3 . PRO A1 1 42 ? -24.068 4.604 -30.928 1.0 64.01 ? 42 A 3 -ATOM 633 H HG2 . PRO A1 1 42 ? -24.497 7.328 -29.762 1.0 0.11 ? 42 A 3 -ATOM 634 H HG3 . PRO A1 1 42 ? -25.653 6.273 -30.595 1.0 1.1 ? 42 A 3 -ATOM 635 H HD2 . PRO A1 1 42 ? -25.565 6.495 -27.897 1.0 11.32 ? 42 A 3 -ATOM 636 H HD3 . PRO A1 1 42 ? -26.027 4.99 -28.716 1.0 34.03 ? 42 A 3 -ATOM 637 N N . PRO A1 1 43 ? -20.626 5.359 -28.572 1.0 1.41 ? 43 A 3 -ATOM 638 C CA . PRO A1 1 43 ? -19.409 6.119 -28.27 1.0 62.53 ? 43 A 3 -ATOM 639 C C . PRO A1 1 43 ? -18.88 6.873 -29.485 1.0 21.35 ? 43 A 3 -ATOM 640 O O . PRO A1 1 43 ? -18.226 7.908 -29.348 1.0 73.42 ? 43 A 3 -ATOM 641 C CB . PRO A1 1 43 ? -18.415 5.039 -27.837 1.0 74.43 ? 43 A 3 -ATOM 642 C CG . PRO A1 1 43 ? -18.892 3.795 -28.503 1.0 42.11 ? 43 A 3 -ATOM 643 C CD . PRO A1 1 43 ? -20.391 3.905 -28.561 1.0 32.53 ? 43 A 3 -ATOM 644 H HA . PRO A1 1 43 ? -19.566 6.813 -27.457 1.0 3.1 ? 43 A 3 -ATOM 645 H HB2 . PRO A1 1 43 ? -17.421 5.308 -28.166 1.0 1.2 ? 43 A 3 -ATOM 646 H HB3 . PRO A1 1 43 ? -18.43 4.941 -26.762 1.0 52.2 ? 43 A 3 -ATOM 647 H HG2 . PRO A1 1 43 ? -18.482 3.731 -29.499 1.0 21.5 ? 43 A 3 -ATOM 648 H HG3 . PRO A1 1 43 ? -18.603 2.932 -27.921 1.0 41.32 ? 43 A 3 -ATOM 649 H HD2 . PRO A1 1 43 ? -20.769 3.447 -29.463 1.0 55.24 ? 43 A 3 -ATOM 650 H HD3 . PRO A1 1 43 ? -20.837 3.45 -27.689 1.0 31.14 ? 43 A 3 -ATOM 651 N N . ASP A1 1 44 ? -19.167 6.35 -30.671 1.0 54.12 ? 44 A 3 -ATOM 652 C CA . ASP A1 1 44 ? -18.721 6.976 -31.911 1.0 51.34 ? 44 A 3 -ATOM 653 C C . ASP A1 1 44 ? -19.593 8.178 -32.257 1.0 65.34 ? 44 A 3 -ATOM 654 O O . ASP A1 1 44 ? -19.22 9.009 -33.085 1.0 41.23 ? 44 A 3 -ATOM 655 C CB . ASP A1 1 44 ? -18.748 5.963 -33.057 1.0 23.35 ? 44 A 3 -ATOM 656 C CG . ASP A1 1 44 ? -17.963 6.435 -34.265 1.0 52.14 ? 44 A 3 -ATOM 657 O OD1 . ASP A1 1 44 ? -16.892 7.049 -34.074 1.0 70.43 ? 44 A 3 -ATOM 658 O OD2 . ASP A1 1 44 ? -18.418 6.188 -35.401 1.0 15.14 ? 44 A 3 -ATOM 659 H H . ASP A1 1 44 ? -19.692 5.523 -30.715 1.0 64.31 ? 44 A 3 -ATOM 660 H HA . ASP A1 1 44 ? -17.706 7.313 -31.765 1.0 72.42 ? 44 A 3 -ATOM 661 H HB2 . ASP A1 1 44 ? -18.322 5.031 -32.715 1.0 64.21 ? 44 A 3 -ATOM 662 H HB3 . ASP A1 1 44 ? -19.772 5.798 -33.358 1.0 74.33 ? 44 A 3 -ATOM 663 N N . GLN A1 1 45 ? -20.756 8.263 -31.619 1.0 24.51 ? 45 A 3 -ATOM 664 C CA . GLN A1 1 45 ? -21.682 9.363 -31.861 1.0 55.1 ? 45 A 3 -ATOM 665 C C . GLN A1 1 45 ? -21.584 10.41 -30.757 1.0 65.33 ? 45 A 3 -ATOM 666 O O . GLN A1 1 45 ? -22.113 11.514 -30.887 1.0 0.12 ? 45 A 3 -ATOM 667 C CB . GLN A1 1 45 ? -23.115 8.839 -31.957 1.0 3.33 ? 45 A 3 -ATOM 668 C CG . GLN A1 1 45 ? -23.515 8.413 -33.361 1.0 71.05 ? 45 A 3 -ATOM 669 C CD . GLN A1 1 45 ? -24.592 7.347 -33.363 1.0 50.21 ? 45 A 3 -ATOM 670 O OE1 . GLN A1 1 45 ? -25.745 7.612 -33.023 1.0 30.33 ? 45 A 3 -ATOM 671 N NE2 . GLN A1 1 45 ? -24.221 6.131 -33.749 1.0 54.11 ? 45 A 3 -ATOM 672 H H . GLN A1 1 45 ? -20.997 7.569 -30.97 1.0 33.14 ? 45 A 3 -ATOM 673 H HA . GLN A1 1 45 ? -21.412 9.822 -32.8 1.0 54.13 ? 45 A 3 -ATOM 674 H HB2 . GLN A1 1 45 ? -23.219 7.987 -31.303 1.0 72.22 ? 45 A 3 -ATOM 675 H HB3 . GLN A1 1 45 ? -23.792 9.616 -31.634 1.0 51.24 ? 45 A 3 -ATOM 676 H HG2 . GLN A1 1 45 ? -23.884 9.277 -33.894 1.0 11.31 ? 45 A 3 -ATOM 677 H HG3 . GLN A1 1 45 ? -22.643 8.025 -33.867 1.0 33.23 ? 45 A 3 -ATOM 678 H HE21 . GLN A1 1 45 ? -23.285 5.993 -34.005 1.0 35.4 ? 45 A 3 -ATOM 679 H HE22 . GLN A1 1 45 ? -24.897 5.423 -33.759 1.0 53.4 ? 45 A 3 -ATOM 680 N N . GLN A1 1 46 ? -20.904 10.057 -29.671 1.0 5.34 ? 46 A 3 -ATOM 681 C CA . GLN A1 1 46 ? -20.738 10.967 -28.544 1.0 54.21 ? 46 A 3 -ATOM 682 C C . GLN A1 1 46 ? -19.317 11.52 -28.496 1.0 23.33 ? 46 A 3 -ATOM 683 O O . GLN A1 1 46 ? -18.389 10.924 -29.042 1.0 42.0 ? 46 A 3 -ATOM 684 C CB . GLN A1 1 46 ? -21.064 10.252 -27.232 1.0 54.1 ? 46 A 3 -ATOM 685 C CG . GLN A1 1 46 ? -20.028 9.213 -26.831 1.0 63.33 ? 46 A 3 -ATOM 686 C CD . GLN A1 1 46 ? -19.19 9.652 -25.647 1.0 73.34 ? 46 A 3 -ATOM 687 O OE1 . GLN A1 1 46 ? -18.213 10.386 -25.802 1.0 62.34 ? 46 A 3 -ATOM 688 N NE2 . GLN A1 1 46 ? -19.567 9.205 -24.455 1.0 52.51 ? 46 A 3 -ATOM 689 H H . GLN A1 1 46 ? -20.505 9.163 -29.627 1.0 61.13 ? 46 A 3 -ATOM 690 H HA . GLN A1 1 46 ? -21.426 11.787 -28.677 1.0 1.54 ? 46 A 3 -ATOM 691 H HB2 . GLN A1 1 46 ? -21.131 10.985 -26.443 1.0 70.34 ? 46 A 3 -ATOM 692 H HB3 . GLN A1 1 46 ? -22.018 9.756 -27.333 1.0 24.41 ? 46 A 3 -ATOM 693 H HG2 . GLN A1 1 46 ? -20.538 8.297 -26.571 1.0 71.34 ? 46 A 3 -ATOM 694 H HG3 . GLN A1 1 46 ? -19.374 9.034 -27.671 1.0 12.44 ? 46 A 3 -ATOM 695 H HE21 . GLN A1 1 46 ? -20.355 8.623 -24.408 1.0 61.21 ? 46 A 3 -ATOM 696 H HE22 . GLN A1 1 46 ? -19.043 9.472 -23.673 1.0 54.41 ? 46 A 3 -ATOM 697 N N . ARG A1 1 47 ? -19.155 12.664 -27.839 1.0 11.31 ? 47 A 3 -ATOM 698 C CA . ARG A1 1 47 ? -17.848 13.299 -27.721 1.0 74.42 ? 47 A 3 -ATOM 699 C C . ARG A1 1 47 ? -17.712 14.019 -26.383 1.0 0.05 ? 47 A 3 -ATOM 700 O O . ARG A1 1 47 ? -18.707 14.297 -25.711 1.0 62.43 ? 47 A 3 -ATOM 701 C CB . ARG A1 1 47 ? -17.633 14.288 -28.868 1.0 53.24 ? 47 A 3 -ATOM 702 C CG . ARG A1 1 47 ? -17.167 13.633 -30.158 1.0 25.13 ? 47 A 3 -ATOM 703 C CD . ARG A1 1 47 ? -18.297 13.531 -31.171 1.0 74.31 ? 47 A 3 -ATOM 704 N NE . ARG A1 1 47 ? -17.842 12.987 -32.447 1.0 72.02 ? 47 A 3 -ATOM 705 C CZ . ARG A1 1 47 ? -18.523 13.104 -33.581 1.0 4.33 ? 47 A 3 -ATOM 706 N NH1 . ARG A1 1 47 ? -19.685 13.743 -33.598 1.0 22.33 ? 47 A 3 -ATOM 707 N NH2 . ARG A1 1 47 ? -18.042 12.582 -34.703 1.0 24.44 ? 47 A 3 -ATOM 708 H H . ARG A1 1 47 ? -19.934 13.092 -27.425 1.0 14.32 ? 47 A 3 -ATOM 709 H HA . ARG A1 1 47 ? -17.097 12.526 -27.779 1.0 52.1 ? 47 A 3 -ATOM 710 H HB2 . ARG A1 1 47 ? -18.563 14.801 -29.066 1.0 12.43 ? 47 A 3 -ATOM 711 H HB3 . ARG A1 1 47 ? -16.889 15.011 -28.569 1.0 31.22 ? 47 A 3 -ATOM 712 H HG2 . ARG A1 1 47 ? -16.37 14.223 -30.584 1.0 2.15 ? 47 A 3 -ATOM 713 H HG3 . ARG A1 1 47 ? -16.804 12.64 -29.936 1.0 3.22 ? 47 A 3 -ATOM 714 H HD2 . ARG A1 1 47 ? -19.065 12.886 -30.77 1.0 62.34 ? 47 A 3 -ATOM 715 H HD3 . ARG A1 1 47 ? -18.705 14.517 -31.335 1.0 4.32 ? 47 A 3 -ATOM 716 H HE . ARG A1 1 47 ? -16.986 12.511 -32.458 1.0 51.12 ? 47 A 3 -ATOM 717 H HH11 . ARG A1 1 47 ? -20.049 14.138 -32.754 1.0 35.02 ? 47 A 3 -ATOM 718 H HH12 . ARG A1 1 47 ? -20.195 13.831 -34.453 1.0 42.25 ? 47 A 3 -ATOM 719 H HH21 . ARG A1 1 47 ? -17.167 12.1 -34.694 1.0 32.54 ? 47 A 3 -ATOM 720 H HH22 . ARG A1 1 47 ? -18.556 12.671 -35.555 1.0 51.04 ? 47 A 3 -ATOM 721 N N . LEU A1 1 48 ? -16.475 14.317 -26.0 1.0 13.42 ? 48 A 3 -ATOM 722 C CA . LEU A1 1 48 ? -16.208 15.004 -24.742 1.0 63.04 ? 48 A 3 -ATOM 723 C C . LEU A1 1 48 ? -15.834 16.463 -24.986 1.0 70.54 ? 48 A 3 -ATOM 724 O O . LEU A1 1 48 ? -15.233 16.796 -26.007 1.0 13.22 ? 48 A 3 -ATOM 725 C CB . LEU A1 1 48 ? -15.085 14.298 -23.981 1.0 73.22 ? 48 A 3 -ATOM 726 C CG . LEU A1 1 48 ? -15.03 12.777 -24.125 1.0 23.01 ? 48 A 3 -ATOM 727 C CD1 . LEU A1 1 48 ? -16.431 12.186 -24.088 1.0 2.23 ? 48 A 3 -ATOM 728 C CD2 . LEU A1 1 48 ? -14.319 12.388 -25.413 1.0 62.5 ? 48 A 3 -ATOM 729 H H . LEU A1 1 48 ? -15.724 14.07 -26.578 1.0 13.1 ? 48 A 3 -ATOM 730 H HA . LEU A1 1 48 ? -17.11 14.971 -24.148 1.0 5.14 ? 48 A 3 -ATOM 731 H HB2 . LEU A1 1 48 ? -14.146 14.697 -24.332 1.0 14.35 ? 48 A 3 -ATOM 732 H HB3 . LEU A1 1 48 ? -15.202 14.528 -22.931 1.0 62.22 ? 48 A 3 -ATOM 733 H HG . LEU A1 1 48 ? -14.472 12.363 -23.296 1.0 74.12 ? 48 A 3 -ATOM 734 H HD11 . LEU A1 1 48 ? -17.088 12.851 -23.548 1.0 72.12 ? 48 A 3 -ATOM 735 H HD12 . LEU A1 1 48 ? -16.404 11.226 -23.593 1.0 51.52 ? 48 A 3 -ATOM 736 H HD13 . LEU A1 1 48 ? -16.795 12.06 -25.097 1.0 50.13 ? 48 A 3 -ATOM 737 H HD21 . LEU A1 1 48 ? -15.047 12.243 -26.196 1.0 32.51 ? 48 A 3 -ATOM 738 H HD22 . LEU A1 1 48 ? -13.769 11.472 -25.257 1.0 4.35 ? 48 A 3 -ATOM 739 H HD23 . LEU A1 1 48 ? -13.635 13.174 -25.697 1.0 44.23 ? 48 A 3 -ATOM 740 N N . ILE A1 1 49 ? -16.192 17.326 -24.041 1.0 13.31 ? 49 A 3 -ATOM 741 C CA . ILE A1 1 49 ? -15.891 18.748 -24.153 1.0 13.25 ? 49 A 3 -ATOM 742 C C . ILE A1 1 49 ? -15.462 19.326 -22.808 1.0 73.24 ? 49 A 3 -ATOM 743 O O . ILE A1 1 49 ? -16.151 19.16 -21.801 1.0 20.41 ? 49 A 3 -ATOM 744 C CB . ILE A1 1 49 ? -17.102 19.541 -24.678 1.0 42.12 ? 49 A 3 -ATOM 745 C CG1 . ILE A1 1 49 ? -17.232 19.373 -26.193 1.0 21.4 ? 49 A 3 -ATOM 746 C CG2 . ILE A1 1 49 ? -16.972 21.011 -24.311 1.0 44.11 ? 49 A 3 -ATOM 747 C CD1 . ILE A1 1 49 ? -18.548 18.764 -26.623 1.0 30.32 ? 49 A 3 -ATOM 748 H H . ILE A1 1 49 ? -16.669 16.999 -23.251 1.0 11.12 ? 49 A 3 -ATOM 749 H HA . ILE A1 1 49 ? -15.079 18.862 -24.857 1.0 31.54 ? 49 A 3 -ATOM 750 H HB . ILE A1 1 49 ? -17.991 19.154 -24.202 1.0 10.22 ? 49 A 3 -ATOM 751 H HG12 . ILE A1 1 49 ? -17.144 20.339 -26.665 1.0 52.53 ? 49 A 3 -ATOM 752 H HG13 . ILE A1 1 49 ? -16.437 18.731 -26.545 1.0 23.14 ? 49 A 3 -ATOM 753 H HG21 . ILE A1 1 49 ? -15.927 21.287 -24.295 1.0 54.41 ? 49 A 3 -ATOM 754 H HG22 . ILE A1 1 49 ? -17.49 21.612 -25.044 1.0 2.4 ? 49 A 3 -ATOM 755 H HG23 . ILE A1 1 49 ? -17.403 21.18 -23.336 1.0 53.42 ? 49 A 3 -ATOM 756 H HD11 . ILE A1 1 49 ? -19.209 19.545 -26.971 1.0 43.14 ? 49 A 3 -ATOM 757 H HD12 . ILE A1 1 49 ? -18.374 18.059 -27.422 1.0 61.33 ? 49 A 3 -ATOM 758 H HD13 . ILE A1 1 49 ? -19.001 18.256 -25.785 1.0 3.14 ? 49 A 3 -ATOM 759 N N . PHE A1 1 50 ? -14.322 20.007 -22.8 1.0 0.44 ? 50 A 3 -ATOM 760 C CA . PHE A1 1 50 ? -13.801 20.612 -21.579 1.0 63.4 ? 50 A 3 -ATOM 761 C C . PHE A1 1 50 ? -13.689 22.127 -21.727 1.0 34.31 ? 50 A 3 -ATOM 762 O O . PHE A1 1 50 ? -12.837 22.628 -22.459 1.0 24.03 ? 50 A 3 -ATOM 763 C CB . PHE A1 1 50 ? -12.433 20.019 -21.234 1.0 1.31 ? 50 A 3 -ATOM 764 C CG . PHE A1 1 50 ? -11.946 20.393 -19.864 1.0 63.44 ? 50 A 3 -ATOM 765 C CD1 . PHE A1 1 50 ? -11.226 21.56 -19.664 1.0 63.22 ? 50 A 3 -ATOM 766 C CD2 . PHE A1 1 50 ? -12.209 19.578 -18.774 1.0 31.12 ? 50 A 3 -ATOM 767 C CE1 . PHE A1 1 50 ? -10.776 21.906 -18.404 1.0 44.05 ? 50 A 3 -ATOM 768 C CE2 . PHE A1 1 50 ? -11.762 19.919 -17.512 1.0 53.14 ? 50 A 3 -ATOM 769 C CZ . PHE A1 1 50 ? -11.046 21.085 -17.326 1.0 64.24 ? 50 A 3 -ATOM 770 H H . PHE A1 1 50 ? -13.817 20.106 -23.635 1.0 32.43 ? 50 A 3 -ATOM 771 H HA . PHE A1 1 50 ? -14.492 20.391 -20.78 1.0 55.42 ? 50 A 3 -ATOM 772 H HB2 . PHE A1 1 50 ? -12.493 18.942 -21.282 1.0 72.21 ? 50 A 3 -ATOM 773 H HB3 . PHE A1 1 50 ? -11.707 20.368 -21.953 1.0 52.42 ? 50 A 3 -ATOM 774 H HD1 . PHE A1 1 50 ? -11.016 22.203 -20.506 1.0 64.41 ? 50 A 3 -ATOM 775 H HD2 . PHE A1 1 50 ? -12.77 18.665 -18.919 1.0 25.0 ? 50 A 3 -ATOM 776 H HE1 . PHE A1 1 50 ? -10.217 22.818 -18.261 1.0 33.34 ? 50 A 3 -ATOM 777 H HE2 . PHE A1 1 50 ? -11.975 19.275 -16.671 1.0 34.14 ? 50 A 3 -ATOM 778 H HZ . PHE A1 1 50 ? -10.695 21.353 -16.341 1.0 42.2 ? 50 A 3 -ATOM 779 N N . GLY A1 1 51 ? -14.557 22.85 -21.026 1.0 53.44 ? 51 A 3 -ATOM 780 C CA . GLY A1 1 51 ? -14.54 24.299 -21.094 1.0 33.5 ? 51 A 3 -ATOM 781 C C . GLY A1 1 51 ? -15.101 24.826 -22.4 1.0 34.32 ? 51 A 3 -ATOM 782 O O . GLY A1 1 51 ? -15.214 26.036 -22.592 1.0 0.02 ? 51 A 3 -ATOM 783 H H . GLY A1 1 51 ? -15.215 22.395 -20.459 1.0 14.34 ? 51 A 3 -ATOM 784 H HA2 . GLY A1 1 51 ? -15.126 24.694 -20.277 1.0 71.3 ? 51 A 3 -ATOM 785 H HA3 . GLY A1 1 51 ? -13.521 24.641 -20.99 1.0 2.33 ? 51 A 3 -ATOM 786 N N . GLY A1 1 52 ? -15.453 23.914 -23.301 1.0 51.33 ? 52 A 3 -ATOM 787 C CA . GLY A1 1 52 ? -16.0 24.313 -24.585 1.0 70.11 ? 52 A 3 -ATOM 788 C C . GLY A1 1 52 ? -15.309 23.627 -25.748 1.0 64.35 ? 52 A 3 -ATOM 789 O O . GLY A1 1 52 ? -15.89 23.473 -26.822 1.0 21.12 ? 52 A 3 -ATOM 790 H H . GLY A1 1 52 ? -15.34 22.963 -23.093 1.0 52.33 ? 52 A 3 -ATOM 791 H HA2 . GLY A1 1 52 ? -17.051 24.067 -24.609 1.0 34.31 ? 52 A 3 -ATOM 792 H HA3 . GLY A1 1 52 ? -15.888 25.382 -24.695 1.0 33.12 ? 52 A 3 -ATOM 793 N N . LYS A1 1 53 ? -14.063 23.217 -25.535 1.0 4.12 ? 53 A 3 -ATOM 794 C CA . LYS A1 1 53 ? -13.291 22.544 -26.572 1.0 20.15 ? 53 A 3 -ATOM 795 C C . LYS A1 1 53 ? -13.431 21.029 -26.459 1.0 12.34 ? 53 A 3 -ATOM 796 O O . LYS A1 1 53 ? -13.539 20.488 -25.36 1.0 53.3 ? 53 A 3 -ATOM 797 C CB . LYS A1 1 53 ? -11.816 22.939 -26.476 1.0 12.13 ? 53 A 3 -ATOM 798 C CG . LYS A1 1 53 ? -11.189 22.626 -25.128 1.0 34.42 ? 53 A 3 -ATOM 799 C CD . LYS A1 1 53 ? -10.53 21.257 -25.124 1.0 44.0 ? 53 A 3 -ATOM 800 C CE . LYS A1 1 53 ? -9.364 21.197 -26.098 1.0 75.53 ? 53 A 3 -ATOM 801 N NZ . LYS A1 1 53 ? -8.083 20.874 -25.41 1.0 61.53 ? 53 A 3 -ATOM 802 H H . LYS A1 1 53 ? -13.654 23.369 -24.657 1.0 32.12 ? 53 A 3 -ATOM 803 H HA . LYS A1 1 53 ? -13.677 22.859 -27.53 1.0 74.23 ? 53 A 3 -ATOM 804 H HB2 . LYS A1 1 53 ? -11.263 22.41 -27.238 1.0 34.02 ? 53 A 3 -ATOM 805 H HB3 . LYS A1 1 53 ? -11.728 24.002 -26.652 1.0 32.22 ? 53 A 3 -ATOM 806 H HG2 . LYS A1 1 53 ? -10.442 23.374 -24.906 1.0 24.24 ? 53 A 3 -ATOM 807 H HG3 . LYS A1 1 53 ? -11.959 22.648 -24.37 1.0 53.0 ? 53 A 3 -ATOM 808 H HD2 . LYS A1 1 53 ? -10.166 21.045 -24.13 1.0 22.42 ? 53 A 3 -ATOM 809 H HD3 . LYS A1 1 53 ? -11.263 20.514 -25.407 1.0 0.05 ? 53 A 3 -ATOM 810 H HE2 . LYS A1 1 53 ? -9.567 20.437 -26.837 1.0 25.2 ? 53 A 3 -ATOM 811 H HE3 . LYS A1 1 53 ? -9.269 22.156 -26.585 1.0 75.24 ? 53 A 3 -ATOM 812 H HZ1 . LYS A1 1 53 ? -7.379 21.615 -25.598 1.0 1.33 ? 53 A 3 -ATOM 813 H HZ2 . LYS A1 1 53 ? -7.713 19.964 -25.754 1.0 14.14 ? 53 A 3 -ATOM 814 H HZ3 . LYS A1 1 53 ? -8.235 20.807 -24.384 1.0 31.25 ? 53 A 3 -ATOM 815 N N . GLN A1 1 54 ? -13.425 20.352 -27.603 1.0 32.1 ? 54 A 3 -ATOM 816 C CA . GLN A1 1 54 ? -13.551 18.9 -27.631 1.0 3.14 ? 54 A 3 -ATOM 817 C C . GLN A1 1 54 ? -12.284 18.234 -27.103 1.0 14.5 ? 54 A 3 -ATOM 818 O O . GLN A1 1 54 ? -11.233 18.868 -27.0 1.0 22.04 ? 54 A 3 -ATOM 819 C CB . GLN A1 1 54 ? -13.839 18.419 -29.054 1.0 14.03 ? 54 A 3 -ATOM 820 C CG . GLN A1 1 54 ? -15.311 18.145 -29.317 1.0 52.41 ? 54 A 3 -ATOM 821 C CD . GLN A1 1 54 ? -16.086 19.401 -29.664 1.0 44.23 ? 54 A 3 -ATOM 822 O OE1 . GLN A1 1 54 ? -15.742 20.497 -29.222 1.0 25.33 ? 54 A 3 -ATOM 823 N NE2 . GLN A1 1 54 ? -17.138 19.247 -30.459 1.0 63.1 ? 54 A 3 -ATOM 824 H H . GLN A1 1 54 ? -13.335 20.84 -28.447 1.0 52.11 ? 54 A 3 -ATOM 825 H HA . GLN A1 1 54 ? -14.378 18.626 -26.994 1.0 62.04 ? 54 A 3 -ATOM 826 H HB2 . GLN A1 1 54 ? -13.505 19.173 -29.751 1.0 31.24 ? 54 A 3 -ATOM 827 H HB3 . GLN A1 1 54 ? -13.288 17.507 -29.231 1.0 25.42 ? 54 A 3 -ATOM 828 H HG2 . GLN A1 1 54 ? -15.393 17.451 -30.141 1.0 52.11 ? 54 A 3 -ATOM 829 H HG3 . GLN A1 1 54 ? -15.745 17.704 -28.432 1.0 53.52 ? 54 A 3 -ATOM 830 H HE21 . GLN A1 1 54 ? -17.353 18.343 -30.772 1.0 45.55 ? 54 A 3 -ATOM 831 H HE22 . GLN A1 1 54 ? -17.657 20.042 -30.698 1.0 62.42 ? 54 A 3 -ATOM 832 N N . LEU A1 1 55 ? -12.391 16.952 -26.77 1.0 51.34 ? 55 A 3 -ATOM 833 C CA . LEU A1 1 55 ? -11.253 16.199 -26.252 1.0 40.45 ? 55 A 3 -ATOM 834 C C . LEU A1 1 55 ? -10.889 15.051 -27.187 1.0 63.5 ? 55 A 3 -ATOM 835 O O . LEU A1 1 55 ? -11.736 14.228 -27.534 1.0 52.11 ? 55 A 3 -ATOM 836 C CB . LEU A1 1 55 ? -11.569 15.656 -24.857 1.0 25.03 ? 55 A 3 -ATOM 837 C CG . LEU A1 1 55 ? -12.143 16.662 -23.859 1.0 41.33 ? 55 A 3 -ATOM 838 C CD1 . LEU A1 1 55 ? -12.258 16.037 -22.478 1.0 33.24 ? 55 A 3 -ATOM 839 C CD2 . LEU A1 1 55 ? -11.282 17.916 -23.81 1.0 52.23 ? 55 A 3 -ATOM 840 H H . LEU A1 1 55 ? -13.253 16.501 -26.875 1.0 12.34 ? 55 A 3 -ATOM 841 H HA . LEU A1 1 55 ? -10.412 16.874 -26.186 1.0 22.21 ? 55 A 3 -ATOM 842 H HB2 . LEU A1 1 55 ? -12.284 14.856 -24.968 1.0 55.1 ? 55 A 3 -ATOM 843 H HB3 . LEU A1 1 55 ? -10.652 15.263 -24.442 1.0 51.11 ? 55 A 3 -ATOM 844 H HG . LEU A1 1 55 ? -13.135 16.95 -24.178 1.0 72.12 ? 55 A 3 -ATOM 845 H HD11 . LEU A1 1 55 ? -11.487 15.292 -22.355 1.0 32.04 ? 55 A 3 -ATOM 846 H HD12 . LEU A1 1 55 ? -13.227 15.573 -22.372 1.0 44.35 ? 55 A 3 -ATOM 847 H HD13 . LEU A1 1 55 ? -12.142 16.804 -21.725 1.0 32.21 ? 55 A 3 -ATOM 848 H HD21 . LEU A1 1 55 ? -11.149 18.221 -22.783 1.0 33.14 ? 55 A 3 -ATOM 849 H HD22 . LEU A1 1 55 ? -11.766 18.707 -24.362 1.0 72.01 ? 55 A 3 -ATOM 850 H HD23 . LEU A1 1 55 ? -10.318 17.707 -24.251 1.0 74.33 ? 55 A 3 -ATOM 851 N N . GLU A1 1 56 ? -9.624 15.001 -27.591 1.0 12.02 ? 56 A 3 -ATOM 852 C CA . GLU A1 1 56 ? -9.148 13.952 -28.485 1.0 31.33 ? 56 A 3 -ATOM 853 C C . GLU A1 1 56 ? -9.199 12.589 -27.8 1.0 62.51 ? 56 A 3 -ATOM 854 O O . GLU A1 1 56 ? -9.637 12.474 -26.655 1.0 51.02 ? 56 A 3 -ATOM 855 C CB . GLU A1 1 56 ? -7.719 14.251 -28.944 1.0 62.01 ? 56 A 3 -ATOM 856 C CG . GLU A1 1 56 ? -7.495 14.017 -30.428 1.0 21.02 ? 56 A 3 -ATOM 857 C CD . GLU A1 1 56 ? -7.252 15.304 -31.191 1.0 1.0 ? 56 A 3 -ATOM 858 O OE1 . GLU A1 1 56 ? -8.238 16.006 -31.502 1.0 61.34 ? 56 A 3 -ATOM 859 O OE2 . GLU A1 1 56 ? -6.076 15.611 -31.477 1.0 22.01 ? 56 A 3 -ATOM 860 H H . GLU A1 1 56 ? -8.995 15.686 -27.28 1.0 72.43 ? 56 A 3 -ATOM 861 H HA . GLU A1 1 56 ? -9.797 13.932 -29.347 1.0 4.21 ? 56 A 3 -ATOM 862 H HB2 . GLU A1 1 56 ? -7.492 15.284 -28.724 1.0 41.11 ? 56 A 3 -ATOM 863 H HB3 . GLU A1 1 56 ? -7.038 13.617 -28.394 1.0 51.02 ? 56 A 3 -ATOM 864 H HG2 . GLU A1 1 56 ? -6.636 13.375 -30.553 1.0 71.31 ? 56 A 3 -ATOM 865 H HG3 . GLU A1 1 56 ? -8.369 13.531 -30.839 1.0 60.44 ? 56 A 3 -ATOM 866 N N . ASP A1 1 57 ? -8.749 11.56 -28.509 1.0 71.03 ? 57 A 3 -ATOM 867 C CA . ASP A1 1 57 ? -8.743 10.205 -27.971 1.0 63.41 ? 57 A 3 -ATOM 868 C C . ASP A1 1 57 ? -7.662 10.048 -26.905 1.0 21.4 ? 57 A 3 -ATOM 869 O O . ASP A1 1 57 ? -7.703 9.121 -26.097 1.0 43.31 ? 57 A 3 -ATOM 870 C CB . ASP A1 1 57 ? -8.521 9.189 -29.092 1.0 45.31 ? 57 A 3 -ATOM 871 C CG . ASP A1 1 57 ? -9.358 9.49 -30.32 1.0 55.43 ? 57 A 3 -ATOM 872 O OD1 . ASP A1 1 57 ? -10.462 10.052 -30.162 1.0 72.35 ? 57 A 3 -ATOM 873 O OD2 . ASP A1 1 57 ? -8.909 9.164 -31.439 1.0 15.11 ? 57 A 3 -ATOM 874 H H . ASP A1 1 57 ? -8.412 11.716 -29.417 1.0 23.12 ? 57 A 3 -ATOM 875 H HA . ASP A1 1 57 ? -9.706 10.023 -27.518 1.0 62.14 ? 57 A 3 -ATOM 876 H HB2 . ASP A1 1 57 ? -7.479 9.199 -29.378 1.0 24.44 ? 57 A 3 -ATOM 877 H HB3 . ASP A1 1 57 ? -8.782 8.204 -28.734 1.0 64.03 ? 57 A 3 -ATOM 878 N N . SER A1 1 58 ? -6.696 10.961 -26.911 1.0 32.51 ? 58 A 3 -ATOM 879 C CA . SER A1 1 58 ? -5.602 10.922 -25.948 1.0 62.24 ? 58 A 3 -ATOM 880 C C . SER A1 1 58 ? -5.72 12.064 -24.944 1.0 2.12 ? 58 A 3 -ATOM 881 O O . SER A1 1 58 ? -4.85 12.251 -24.095 1.0 12.21 ? 58 A 3 -ATOM 882 C CB . SER A1 1 58 ? -4.255 11.0 -26.671 1.0 65.11 ? 58 A 3 -ATOM 883 O OG . SER A1 1 58 ? -3.179 10.86 -25.76 1.0 34.21 ? 58 A 3 -ATOM 884 H H . SER A1 1 58 ? -6.719 11.676 -27.581 1.0 21.03 ? 58 A 3 -ATOM 885 H HA . SER A1 1 58 ? -5.661 9.983 -25.417 1.0 33.55 ? 58 A 3 -ATOM 886 H HB2 . SER A1 1 58 ? -4.196 10.21 -27.404 1.0 31.42 ? 58 A 3 -ATOM 887 H HB3 . SER A1 1 58 ? -4.171 11.957 -27.165 1.0 40.4 ? 58 A 3 -ATOM 888 H HG . SER A1 1 58 ? -2.676 11.677 -25.73 1.0 10.23 ? 58 A 3 -ATOM 889 N N . ASN A1 1 59 ? -6.804 12.826 -25.05 1.0 35.41 ? 59 A 3 -ATOM 890 C CA . ASN A1 1 59 ? -7.038 13.951 -24.152 1.0 52.34 ? 59 A 3 -ATOM 891 C C . ASN A1 1 59 ? -7.588 13.472 -22.811 1.0 4.01 ? 59 A 3 -ATOM 892 O O . ASN A1 1 59 ? -8.797 13.492 -22.582 1.0 42.21 ? 59 A 3 -ATOM 893 C CB . ASN A1 1 59 ? -8.011 14.945 -24.789 1.0 21.1 ? 59 A 3 -ATOM 894 C CG . ASN A1 1 59 ? -7.298 16.029 -25.575 1.0 14.54 ? 59 A 3 -ATOM 895 O OD1 . ASN A1 1 59 ? -6.49 15.74 -26.459 1.0 24.42 ? 59 A 3 -ATOM 896 N ND2 . ASN A1 1 59 ? -7.593 17.283 -25.256 1.0 14.44 ? 59 A 3 -ATOM 897 H H . ASN A1 1 59 ? -7.463 12.627 -25.748 1.0 5.51 ? 59 A 3 -ATOM 898 H HA . ASN A1 1 59 ? -6.092 14.443 -23.984 1.0 74.51 ? 59 A 3 -ATOM 899 H HB2 . ASN A1 1 59 ? -8.67 14.415 -25.461 1.0 43.43 ? 59 A 3 -ATOM 900 H HB3 . ASN A1 1 59 ? -8.596 15.415 -24.013 1.0 11.21 ? 59 A 3 -ATOM 901 H HD21 . ASN A1 1 59 ? -8.246 17.438 -24.541 1.0 21.33 ? 59 A 3 -ATOM 902 H HD22 . ASN A1 1 59 ? -7.147 18.003 -25.749 1.0 12.0 ? 59 A 3 -ATOM 903 N N . ALA A1 1 60 ? -6.691 13.044 -21.929 1.0 13.11 ? 60 A 3 -ATOM 904 C CA . ALA A1 1 60 ? -7.086 12.563 -20.611 1.0 35.51 ? 60 A 3 -ATOM 905 C C . ALA A1 1 60 ? -5.865 12.232 -19.759 1.0 74.01 ? 60 A 3 -ATOM 906 O O . ALA A1 1 60 ? -5.367 13.077 -19.016 1.0 74.24 ? 60 A 3 -ATOM 907 C CB . ALA A1 1 60 ? -7.986 11.343 -20.742 1.0 64.13 ? 60 A 3 -ATOM 908 H H . ALA A1 1 60 ? -5.741 13.052 -22.17 1.0 31.12 ? 60 A 3 -ATOM 909 H HA . ALA A1 1 60 ? -7.65 13.346 -20.125 1.0 20.01 ? 60 A 3 -ATOM 910 H HB1 . ALA A1 1 60 ? -7.531 10.632 -21.416 1.0 72.33 ? 60 A 3 -ATOM 911 H HB2 . ALA A1 1 60 ? -8.119 10.888 -19.772 1.0 25.02 ? 60 A 3 -ATOM 912 H HB3 . ALA A1 1 60 ? -8.947 11.646 -21.132 1.0 51.02 ? 60 A 3 -ATOM 913 N N . MET A1 1 61 ? -5.388 10.996 -19.871 1.0 21.52 ? 61 A 3 -ATOM 914 C CA . MET A1 1 61 ? -4.224 10.555 -19.111 1.0 32.03 ? 61 A 3 -ATOM 915 C C . MET A1 1 61 ? -3.029 11.468 -19.367 1.0 55.14 ? 61 A 3 -ATOM 916 O O . MET A1 1 61 ? -2.378 11.93 -18.431 1.0 73.23 ? 61 A 3 -ATOM 917 C CB . MET A1 1 61 ? -3.867 9.113 -19.476 1.0 33.12 ? 61 A 3 -ATOM 918 C CG . MET A1 1 61 ? -4.115 8.777 -20.938 1.0 10.31 ? 61 A 3 -ATOM 919 S SD . MET A1 1 61 ? -2.845 7.699 -21.628 1.0 3.45 ? 61 A 3 -ATOM 920 C CE . MET A1 1 61 ? -1.969 8.845 -22.691 1.0 11.34 ? 61 A 3 -ATOM 921 H H . MET A1 1 61 ? -5.828 10.367 -20.48 1.0 44.35 ? 61 A 3 -ATOM 922 H HA . MET A1 1 61 ? -4.478 10.599 -18.063 1.0 14.21 ? 61 A 3 -ATOM 923 H HB2 . MET A1 1 61 ? -2.821 8.949 -19.264 1.0 14.23 ? 61 A 3 -ATOM 924 H HB3 . MET A1 1 61 ? -4.459 8.443 -18.871 1.0 0.24 ? 61 A 3 -ATOM 925 H HG2 . MET A1 1 61 ? -5.071 8.282 -21.023 1.0 62.14 ? 61 A 3 -ATOM 926 H HG3 . MET A1 1 61 ? -4.136 9.696 -21.505 1.0 32.0 ? 61 A 3 -ATOM 927 H HE1 . MET A1 1 61 ? -1.303 8.296 -23.34 1.0 54.23 ? 61 A 3 -ATOM 928 H HE2 . MET A1 1 61 ? -2.68 9.397 -23.288 1.0 64.31 ? 61 A 3 -ATOM 929 H HE3 . MET A1 1 61 ? -1.397 9.532 -22.085 1.0 24.11 ? 61 A 3 -ATOM 930 N N . SER A1 1 62 ? -2.747 11.723 -20.641 1.0 73.15 ? 62 A 3 -ATOM 931 C CA . SER A1 1 62 ? -1.628 12.577 -21.019 1.0 12.22 ? 62 A 3 -ATOM 932 C C . SER A1 1 62 ? -1.967 14.048 -20.797 1.0 13.52 ? 62 A 3 -ATOM 933 O O . SER A1 1 62 ? -1.098 14.854 -20.467 1.0 42.51 ? 62 A 3 -ATOM 934 C CB . SER A1 1 62 ? -1.253 12.344 -22.484 1.0 62.33 ? 62 A 3 -ATOM 935 O OG . SER A1 1 62 ? -0.843 13.551 -23.104 1.0 14.13 ? 62 A 3 -ATOM 936 H H . SER A1 1 62 ? -3.304 11.325 -21.342 1.0 74.25 ? 62 A 3 -ATOM 937 H HA . SER A1 1 62 ? -0.786 12.316 -20.395 1.0 74.15 ? 62 A 3 -ATOM 938 H HB2 . SER A1 1 62 ? -0.444 11.633 -22.537 1.0 54.41 ? 62 A 3 -ATOM 939 H HB3 . SER A1 1 62 ? -2.111 11.955 -23.014 1.0 23.45 ? 62 A 3 -ATOM 940 H HG . SER A1 1 62 ? -1.36 13.694 -23.9 1.0 1.23 ? 62 A 3 -ATOM 941 N N . ASP A1 1 63 ? -3.238 14.389 -20.981 1.0 34.33 ? 63 A 3 -ATOM 942 C CA . ASP A1 1 63 ? -3.695 15.762 -20.8 1.0 10.21 ? 63 A 3 -ATOM 943 C C . ASP A1 1 63 ? -3.372 16.262 -19.395 1.0 63.54 ? 63 A 3 -ATOM 944 O O . ASP A1 1 63 ? -3.23 17.464 -19.17 1.0 31.33 ? 63 A 3 -ATOM 945 C CB . ASP A1 1 63 ? -5.199 15.86 -21.056 1.0 21.1 ? 63 A 3 -ATOM 946 C CG . ASP A1 1 63 ? -5.647 17.28 -21.344 1.0 12.2 ? 63 A 3 -ATOM 947 O OD1 . ASP A1 1 63 ? -5.963 18.009 -20.381 1.0 53.24 ? 63 A 3 -ATOM 948 O OD2 . ASP A1 1 63 ? -5.679 17.661 -22.532 1.0 3.13 ? 63 A 3 -ATOM 949 H H . ASP A1 1 63 ? -3.885 13.701 -21.244 1.0 14.4 ? 63 A 3 -ATOM 950 H HA . ASP A1 1 63 ? -3.176 16.381 -21.516 1.0 72.42 ? 63 A 3 -ATOM 951 H HB2 . ASP A1 1 63 ? -5.454 15.243 -21.906 1.0 63.34 ? 63 A 3 -ATOM 952 H HB3 . ASP A1 1 63 ? -5.73 15.503 -20.186 1.0 44.51 ? 63 A 3 -ATOM 953 N N . TYR A1 1 64 ? -3.26 15.331 -18.453 1.0 43.15 ? 64 A 3 -ATOM 954 C CA . TYR A1 1 64 ? -2.957 15.677 -17.069 1.0 74.44 ? 64 A 3 -ATOM 955 C C . TYR A1 1 64 ? -4.176 16.283 -16.381 1.0 35.31 ? 64 A 3 -ATOM 956 O O . TYR A1 1 64 ? -4.058 16.931 -15.342 1.0 63.11 ? 64 A 3 -ATOM 957 C CB . TYR A1 1 64 ? -1.785 16.657 -17.011 1.0 41.31 ? 64 A 3 -ATOM 958 C CG . TYR A1 1 64 ? -0.67 16.213 -16.091 1.0 35.31 ? 64 A 3 -ATOM 959 C CD1 . TYR A1 1 64 ? 0.306 15.326 -16.528 1.0 10.21 ? 64 A 3 -ATOM 960 C CD2 . TYR A1 1 64 ? -0.592 16.682 -14.785 1.0 61.0 ? 64 A 3 -ATOM 961 C CE1 . TYR A1 1 64 ? 1.326 14.917 -15.69 1.0 31.32 ? 64 A 3 -ATOM 962 C CE2 . TYR A1 1 64 ? 0.425 16.279 -13.941 1.0 3.01 ? 64 A 3 -ATOM 963 C CZ . TYR A1 1 64 ? 1.381 15.396 -14.398 1.0 35.43 ? 64 A 3 -ATOM 964 O OH . TYR A1 1 64 ? 2.396 14.993 -13.562 1.0 23.32 ? 64 A 3 -ATOM 965 H H . TYR A1 1 64 ? -3.384 14.39 -18.694 1.0 10.22 ? 64 A 3 -ATOM 966 H HA . TYR A1 1 64 ? -2.681 14.769 -16.554 1.0 40.51 ? 64 A 3 -ATOM 967 H HB2 . TYR A1 1 64 ? -1.371 16.772 -18.001 1.0 75.32 ? 64 A 3 -ATOM 968 H HB3 . TYR A1 1 64 ? -2.142 17.615 -16.662 1.0 32.34 ? 64 A 3 -ATOM 969 H HD1 . TYR A1 1 64 ? 0.26 14.952 -17.541 1.0 1.35 ? 64 A 3 -ATOM 970 H HD2 . TYR A1 1 64 ? -1.342 17.373 -14.43 1.0 32.41 ? 64 A 3 -ATOM 971 H HE1 . TYR A1 1 64 ? 2.075 14.226 -16.048 1.0 52.21 ? 64 A 3 -ATOM 972 H HE2 . TYR A1 1 64 ? 0.469 16.654 -12.929 1.0 43.14 ? 64 A 3 -ATOM 973 H HH . TYR A1 1 64 ? 2.538 15.659 -12.885 1.0 23.33 ? 64 A 3 -ATOM 974 N N . ASN A1 1 65 ? -5.348 16.068 -16.969 1.0 61.21 ? 65 A 3 -ATOM 975 C CA . ASN A1 1 65 ? -6.591 16.593 -16.414 1.0 70.22 ? 65 A 3 -ATOM 976 C C . ASN A1 1 65 ? -7.461 15.465 -15.867 1.0 21.44 ? 65 A 3 -ATOM 977 O O . ASN A1 1 65 ? -8.652 15.651 -15.617 1.0 22.24 ? 65 A 3 -ATOM 978 C CB . ASN A1 1 65 ? -7.36 17.375 -17.48 1.0 30.31 ? 65 A 3 -ATOM 979 C CG . ASN A1 1 65 ? -8.171 16.471 -18.388 1.0 75.23 ? 65 A 3 -ATOM 980 O OD1 . ASN A1 1 65 ? -7.685 15.438 -18.848 1.0 74.2 ? 65 A 3 -ATOM 981 N ND2 . ASN A1 1 65 ? -9.414 16.857 -18.651 1.0 12.4 ? 65 A 3 -ATOM 982 H H . ASN A1 1 65 ? -5.379 15.544 -17.797 1.0 72.01 ? 65 A 3 -ATOM 983 H HA . ASN A1 1 65 ? -6.336 17.26 -15.604 1.0 43.44 ? 65 A 3 -ATOM 984 H HB2 . ASN A1 1 65 ? -8.036 18.064 -16.994 1.0 12.24 ? 65 A 3 -ATOM 985 H HB3 . ASN A1 1 65 ? -6.66 17.93 -18.086 1.0 73.02 ? 65 A 3 -ATOM 986 H HD21 . ASN A1 1 65 ? -9.734 17.692 -18.249 1.0 23.44 ? 65 A 3 -ATOM 987 H HD22 . ASN A1 1 65 ? -9.96 16.291 -19.235 1.0 32.24 ? 65 A 3 -ATOM 988 N N . VAL A1 1 66 ? -6.858 14.295 -15.683 1.0 11.4 ? 66 A 3 -ATOM 989 C CA . VAL A1 1 66 ? -7.577 13.137 -15.165 1.0 70.45 ? 66 A 3 -ATOM 990 C C . VAL A1 1 66 ? -7.33 12.961 -13.671 1.0 73.11 ? 66 A 3 -ATOM 991 O O . VAL A1 1 66 ? -6.44 12.215 -13.263 1.0 33.12 ? 66 A 3 -ATOM 992 C CB . VAL A1 1 66 ? -7.165 11.846 -15.898 1.0 40.11 ? 66 A 3 -ATOM 993 C CG1 . VAL A1 1 66 ? -5.65 11.716 -15.939 1.0 32.21 ? 66 A 3 -ATOM 994 C CG2 . VAL A1 1 66 ? -7.795 10.632 -15.232 1.0 25.13 ? 66 A 3 -ATOM 995 H H . VAL A1 1 66 ? -5.906 14.208 -15.901 1.0 25.31 ? 66 A 3 -ATOM 996 H HA . VAL A1 1 66 ? -8.632 13.298 -15.329 1.0 44.24 ? 66 A 3 -ATOM 997 H HB . VAL A1 1 66 ? -7.527 11.902 -16.914 1.0 65.05 ? 66 A 3 -ATOM 998 H HG11 . VAL A1 1 66 ? -5.29 12.005 -16.915 1.0 62.5 ? 66 A 3 -ATOM 999 H HG12 . VAL A1 1 66 ? -5.212 12.357 -15.188 1.0 4.5 ? 66 A 3 -ATOM 1000 H HG13 . VAL A1 1 66 ? -5.372 10.69 -15.744 1.0 12.32 ? 66 A 3 -ATOM 1001 H HG21 . VAL A1 1 66 ? -7.932 9.851 -15.964 1.0 23.4 ? 66 A 3 -ATOM 1002 H HG22 . VAL A1 1 66 ? -7.148 10.279 -14.444 1.0 64.2 ? 66 A 3 -ATOM 1003 H HG23 . VAL A1 1 66 ? -8.754 10.907 -14.816 1.0 74.31 ? 66 A 3 -ATOM 1004 N N . GLN A1 1 67 ? -8.124 13.652 -12.86 1.0 5.43 ? 67 A 3 -ATOM 1005 C CA . GLN A1 1 67 ? -7.992 13.572 -11.41 1.0 15.5 ? 67 A 3 -ATOM 1006 C C . GLN A1 1 67 ? -8.951 12.536 -10.832 1.0 62.54 ? 67 A 3 -ATOM 1007 O O . GLN A1 1 67 ? -9.67 11.862 -11.569 1.0 44.01 ? 67 A 3 -ATOM 1008 C CB . GLN A1 1 67 ? -8.256 14.939 -10.776 1.0 35.11 ? 67 A 3 -ATOM 1009 C CG . GLN A1 1 67 ? -9.615 15.521 -11.129 1.0 11.21 ? 67 A 3 -ATOM 1010 C CD . GLN A1 1 67 ? -9.904 16.816 -10.396 1.0 34.44 ? 67 A 3 -ATOM 1011 O OE1 . GLN A1 1 67 ? -10.28 17.817 -11.005 1.0 41.54 ? 67 A 3 -ATOM 1012 N NE2 . GLN A1 1 67 ? -9.729 16.802 -9.079 1.0 50.51 ? 67 A 3 -ATOM 1013 H H . GLN A1 1 67 ? -8.815 14.23 -13.246 1.0 54.23 ? 67 A 3 -ATOM 1014 H HA . GLN A1 1 67 ? -6.979 13.271 -11.186 1.0 21.13 ? 67 A 3 -ATOM 1015 H HB2 . GLN A1 1 67 ? -8.197 14.842 -9.702 1.0 61.05 ? 67 A 3 -ATOM 1016 H HB3 . GLN A1 1 67 ? -7.495 15.63 -11.109 1.0 21.05 ? 67 A 3 -ATOM 1017 H HG2 . GLN A1 1 67 ? -9.645 15.713 -12.192 1.0 63.24 ? 67 A 3 -ATOM 1018 H HG3 . GLN A1 1 67 ? -10.378 14.801 -10.873 1.0 63.02 ? 67 A 3 -ATOM 1019 H HE21 . GLN A1 1 67 ? -9.427 15.968 -8.662 1.0 0.12 ? 67 A 3 -ATOM 1020 H HE22 . GLN A1 1 67 ? -9.908 17.625 -8.58 1.0 72.41 ? 67 A 3 -ATOM 1021 N N . LYS A1 1 68 ? -8.955 12.415 -9.509 1.0 63.33 ? 68 A 3 -ATOM 1022 C CA . LYS A1 1 68 ? -9.826 11.463 -8.831 1.0 34.0 ? 68 A 3 -ATOM 1023 C C . LYS A1 1 68 ? -11.292 11.754 -9.134 1.0 33.21 ? 68 A 3 -ATOM 1024 O O . LYS A1 1 68 ? -12.119 10.844 -9.173 1.0 33.01 ? 68 A 3 -ATOM 1025 C CB . LYS A1 1 68 ? -9.588 11.51 -7.32 1.0 41.41 ? 68 A 3 -ATOM 1026 C CG . LYS A1 1 68 ? -10.178 10.325 -6.574 1.0 61.44 ? 68 A 3 -ATOM 1027 C CD . LYS A1 1 68 ? -9.453 9.034 -6.916 1.0 43.41 ? 68 A 3 -ATOM 1028 C CE . LYS A1 1 68 ? -8.151 8.903 -6.14 1.0 23.43 ? 68 A 3 -ATOM 1029 N NZ . LYS A1 1 68 ? -8.381 8.898 -4.668 1.0 52.05 ? 68 A 3 -ATOM 1030 H H . LYS A1 1 68 ? -8.358 12.982 -8.975 1.0 75.53 ? 68 A 3 -ATOM 1031 H HA . LYS A1 1 68 ? -9.585 10.475 -9.194 1.0 31.4 ? 68 A 3 -ATOM 1032 H HB2 . LYS A1 1 68 ? -8.524 11.531 -7.135 1.0 51.5 ? 68 A 3 -ATOM 1033 H HB3 . LYS A1 1 68 ? -10.031 12.413 -6.925 1.0 62.4 ? 68 A 3 -ATOM 1034 H HG2 . LYS A1 1 68 ? -10.094 10.501 -5.512 1.0 22.33 ? 68 A 3 -ATOM 1035 H HG3 . LYS A1 1 68 ? -11.22 10.224 -6.843 1.0 45.02 ? 68 A 3 -ATOM 1036 H HD2 . LYS A1 1 68 ? -10.09 8.197 -6.671 1.0 14.2 ? 68 A 3 -ATOM 1037 H HD3 . LYS A1 1 68 ? -9.233 9.024 -7.974 1.0 13.53 ? 68 A 3 -ATOM 1038 H HE2 . LYS A1 1 68 ? -7.669 7.981 -6.424 1.0 43.13 ? 68 A 3 -ATOM 1039 H HE3 . LYS A1 1 68 ? -7.512 9.736 -6.392 1.0 63.42 ? 68 A 3 -ATOM 1040 H HZ1 . LYS A1 1 68 ? -8.578 9.862 -4.333 1.0 1.54 ? 68 A 3 -ATOM 1041 H HZ2 . LYS A1 1 68 ? -7.538 8.537 -4.177 1.0 73.32 ? 68 A 3 -ATOM 1042 H HZ3 . LYS A1 1 68 ? -9.191 8.288 -4.436 1.0 23.44 ? 68 A 3 -ATOM 1043 N N . GLU A1 1 69 ? -11.606 13.027 -9.351 1.0 51.1 ? 69 A 3 -ATOM 1044 C CA . GLU A1 1 69 ? -12.972 13.437 -9.652 1.0 15.41 ? 69 A 3 -ATOM 1045 C C . GLU A1 1 69 ? -12.986 14.658 -10.566 1.0 20.25 ? 69 A 3 -ATOM 1046 O O . GLU A1 1 69 ? -13.171 15.786 -10.11 1.0 55.15 ? 69 A 3 -ATOM 1047 C CB . GLU A1 1 69 ? -13.733 13.744 -8.36 1.0 42.14 ? 69 A 3 -ATOM 1048 C CG . GLU A1 1 69 ? -12.961 14.63 -7.396 1.0 32.44 ? 69 A 3 -ATOM 1049 C CD . GLU A1 1 69 ? -13.788 15.794 -6.884 1.0 60.3 ? 69 A 3 -ATOM 1050 O OE1 . GLU A1 1 69 ? -14.201 16.636 -7.708 1.0 52.11 ? 69 A 3 -ATOM 1051 O OE2 . GLU A1 1 69 ? -14.021 15.862 -5.659 1.0 33.22 ? 69 A 3 -ATOM 1052 H H . GLU A1 1 69 ? -10.902 13.708 -9.306 1.0 51.55 ? 69 A 3 -ATOM 1053 H HA . GLU A1 1 69 ? -13.46 12.618 -10.159 1.0 21.13 ? 69 A 3 -ATOM 1054 H HB2 . GLU A1 1 69 ? -14.659 14.24 -8.611 1.0 70.35 ? 69 A 3 -ATOM 1055 H HB3 . GLU A1 1 69 ? -13.958 12.814 -7.859 1.0 25.14 ? 69 A 3 -ATOM 1056 H HG2 . GLU A1 1 69 ? -12.647 14.034 -6.553 1.0 60.54 ? 69 A 3 -ATOM 1057 H HG3 . GLU A1 1 69 ? -12.092 15.021 -7.904 1.0 2.43 ? 69 A 3 -ATOM 1058 N N . SER A1 1 70 ? -12.787 14.425 -11.859 1.0 51.41 ? 70 A 3 -ATOM 1059 C CA . SER A1 1 70 ? -12.771 15.506 -12.838 1.0 50.24 ? 70 A 3 -ATOM 1060 C C . SER A1 1 70 ? -14.134 15.652 -13.507 1.0 72.1 ? 70 A 3 -ATOM 1061 O O . SER A1 1 70 ? -14.718 14.674 -13.976 1.0 13.02 ? 70 A 3 -ATOM 1062 C CB . SER A1 1 70 ? -11.696 15.249 -13.895 1.0 75.43 ? 70 A 3 -ATOM 1063 O OG . SER A1 1 70 ? -11.015 16.446 -14.231 1.0 45.33 ? 70 A 3 -ATOM 1064 H H . SER A1 1 70 ? -12.645 13.503 -12.162 1.0 42.55 ? 70 A 3 -ATOM 1065 H HA . SER A1 1 70 ? -12.539 16.422 -12.316 1.0 61.25 ? 70 A 3 -ATOM 1066 H HB2 . SER A1 1 70 ? -10.981 14.537 -13.513 1.0 1.23 ? 70 A 3 -ATOM 1067 H HB3 . SER A1 1 70 ? -12.159 14.85 -14.786 1.0 50.33 ? 70 A 3 -ATOM 1068 H HG . SER A1 1 70 ? -11.623 17.187 -14.175 1.0 14.24 ? 70 A 3 -ATOM 1069 N N . THR A1 1 71 ? -14.637 16.882 -13.549 1.0 52.55 ? 71 A 3 -ATOM 1070 C CA . THR A1 1 71 ? -15.932 17.158 -14.159 1.0 43.33 ? 71 A 3 -ATOM 1071 C C . THR A1 1 71 ? -15.774 17.583 -15.614 1.0 63.44 ? 71 A 3 -ATOM 1072 O O . THR A1 1 71 ? -15.094 18.565 -15.915 1.0 13.52 ? 71 A 3 -ATOM 1073 C CB . THR A1 1 71 ? -16.69 18.259 -13.394 1.0 4.41 ? 71 A 3 -ATOM 1074 O OG1 . THR A1 1 71 ? -15.775 19.27 -12.955 1.0 4.41 ? 71 A 3 -ATOM 1075 C CG2 . THR A1 1 71 ? -17.424 17.678 -12.195 1.0 4.35 ? 71 A 3 -ATOM 1076 H H . THR A1 1 71 ? -14.125 17.62 -13.158 1.0 14.04 ? 71 A 3 -ATOM 1077 H HA . THR A1 1 71 ? -16.519 16.252 -14.12 1.0 24.13 ? 71 A 3 -ATOM 1078 H HB . THR A1 1 71 ? -17.415 18.705 -14.06 1.0 70.41 ? 71 A 3 -ATOM 1079 H HG1 . THR A1 1 71 ? -16.264 20.059 -12.71 1.0 53.11 ? 71 A 3 -ATOM 1080 H HG21 . THR A1 1 71 ? -17.503 18.428 -11.423 1.0 12.42 ? 71 A 3 -ATOM 1081 H HG22 . THR A1 1 71 ? -16.878 16.827 -11.816 1.0 75.2 ? 71 A 3 -ATOM 1082 H HG23 . THR A1 1 71 ? -18.413 17.365 -12.496 1.0 31.12 ? 71 A 3 -ATOM 1083 N N . LEU A1 1 72 ? -16.406 16.838 -16.515 1.0 74.32 ? 72 A 3 -ATOM 1084 C CA . LEU A1 1 72 ? -16.337 17.139 -17.941 1.0 62.12 ? 72 A 3 -ATOM 1085 C C . LEU A1 1 72 ? -17.723 17.096 -18.574 1.0 14.1 ? 72 A 3 -ATOM 1086 O O . LEU A1 1 72 ? -18.616 16.396 -18.094 1.0 22.33 ? 72 A 3 -ATOM 1087 C CB . LEU A1 1 72 ? -15.41 16.147 -18.646 1.0 54.24 ? 72 A 3 -ATOM 1088 C CG . LEU A1 1 72 ? -16.077 14.894 -19.215 1.0 12.34 ? 72 A 3 -ATOM 1089 C CD1 . LEU A1 1 72 ? -16.369 15.07 -20.697 1.0 71.53 ? 72 A 3 -ATOM 1090 C CD2 . LEU A1 1 72 ? -15.199 13.672 -18.984 1.0 45.31 ? 72 A 3 -ATOM 1091 H H . LEU A1 1 72 ? -16.932 16.068 -16.215 1.0 40.44 ? 72 A 3 -ATOM 1092 H HA . LEU A1 1 72 ? -15.935 18.135 -18.05 1.0 22.23 ? 72 A 3 -ATOM 1093 H HB2 . LEU A1 1 72 ? -14.931 16.665 -19.462 1.0 24.33 ? 72 A 3 -ATOM 1094 H HB3 . LEU A1 1 72 ? -14.662 15.831 -17.934 1.0 64.44 ? 72 A 3 -ATOM 1095 H HG . LEU A1 1 72 ? -17.017 14.732 -18.707 1.0 60.22 ? 72 A 3 -ATOM 1096 H HD11 . LEU A1 1 72 ? -15.746 15.857 -21.095 1.0 22.12 ? 72 A 3 -ATOM 1097 H HD12 . LEU A1 1 72 ? -17.408 15.332 -20.83 1.0 11.12 ? 72 A 3 -ATOM 1098 H HD13 . LEU A1 1 72 ? -16.161 14.147 -21.217 1.0 74.11 ? 72 A 3 -ATOM 1099 H HD21 . LEU A1 1 72 ? -15.342 13.311 -17.977 1.0 45.11 ? 72 A 3 -ATOM 1100 H HD22 . LEU A1 1 72 ? -14.163 13.941 -19.127 1.0 64.51 ? 72 A 3 -ATOM 1101 H HD23 . LEU A1 1 72 ? -15.47 12.897 -19.687 1.0 15.53 ? 72 A 3 -ATOM 1102 N N . HIS A1 1 73 ? -17.897 17.848 -19.657 1.0 22.1 ? 73 A 3 -ATOM 1103 C CA . HIS A1 1 73 ? -19.175 17.893 -20.359 1.0 43.22 ? 73 A 3 -ATOM 1104 C C . HIS A1 1 73 ? -19.176 16.939 -21.549 1.0 1.12 ? 73 A 3 -ATOM 1105 O O . HIS A1 1 73 ? -18.354 17.062 -22.458 1.0 41.41 ? 73 A 3 -ATOM 1106 C CB . HIS A1 1 73 ? -19.47 19.317 -20.832 1.0 34.11 ? 73 A 3 -ATOM 1107 C CG . HIS A1 1 73 ? -20.916 19.559 -21.136 1.0 25.31 ? 73 A 3 -ATOM 1108 N ND1 . HIS A1 1 73 ? -21.751 18.589 -21.649 1.0 22.31 ? 73 A 3 -ATOM 1109 C CD2 . HIS A1 1 73 ? -21.677 20.67 -20.995 1.0 30.12 ? 73 A 3 -ATOM 1110 C CE1 . HIS A1 1 73 ? -22.961 19.092 -21.812 1.0 74.03 ? 73 A 3 -ATOM 1111 N NE2 . HIS A1 1 73 ? -22.943 20.354 -21.422 1.0 22.32 ? 73 A 3 -ATOM 1112 H H . HIS A1 1 73 ? -17.148 18.384 -19.992 1.0 41.1 ? 73 A 3 -ATOM 1113 H HA . HIS A1 1 73 ? -19.944 17.587 -19.667 1.0 23.25 ? 73 A 3 -ATOM 1114 H HB2 . HIS A1 1 73 ? -19.172 20.014 -20.063 1.0 51.13 ? 73 A 3 -ATOM 1115 H HB3 . HIS A1 1 73 ? -18.904 19.516 -21.731 1.0 64.13 ? 73 A 3 -ATOM 1116 H HD1 . HIS A1 1 73 ? -21.493 17.668 -21.864 1.0 63.31 ? 73 A 3 -ATOM 1117 H HD2 . HIS A1 1 73 ? -21.349 21.629 -20.617 1.0 71.43 ? 73 A 3 -ATOM 1118 H HE1 . HIS A1 1 73 ? -23.82 18.563 -22.197 1.0 3.34 ? 73 A 3 -ATOM 1119 N N . LEU A1 1 74 ? -20.102 15.987 -21.537 1.0 31.4 ? 74 A 3 -ATOM 1120 C CA . LEU A1 1 74 ? -20.209 15.01 -22.615 1.0 41.22 ? 74 A 3 -ATOM 1121 C C . LEU A1 1 74 ? -21.433 15.288 -23.482 1.0 21.0 ? 74 A 3 -ATOM 1122 O O . LEU A1 1 74 ? -22.568 15.231 -23.009 1.0 70.53 ? 74 A 3 -ATOM 1123 C CB . LEU A1 1 74 ? -20.289 13.594 -22.04 1.0 42.32 ? 74 A 3 -ATOM 1124 C CG . LEU A1 1 74 ? -21.025 12.563 -22.896 1.0 13.02 ? 74 A 3 -ATOM 1125 C CD1 . LEU A1 1 74 ? -20.399 12.473 -24.279 1.0 50.12 ? 74 A 3 -ATOM 1126 C CD2 . LEU A1 1 74 ? -21.018 11.202 -22.216 1.0 22.4 ? 74 A 3 -ATOM 1127 H H . LEU A1 1 74 ? -20.729 15.939 -20.785 1.0 53.04 ? 74 A 3 -ATOM 1128 H HA . LEU A1 1 74 ? -19.323 15.092 -23.226 1.0 65.43 ? 74 A 3 -ATOM 1129 H HB2 . LEU A1 1 74 ? -19.28 13.24 -21.892 1.0 22.02 ? 74 A 3 -ATOM 1130 H HB3 . LEU A1 1 74 ? -20.792 13.653 -21.086 1.0 20.31 ? 74 A 3 -ATOM 1131 H HG . LEU A1 1 74 ? -22.054 12.872 -23.016 1.0 34.12 ? 74 A 3 -ATOM 1132 H HD11 . LEU A1 1 74 ? -19.348 12.709 -24.215 1.0 33.01 ? 74 A 3 -ATOM 1133 H HD12 . LEU A1 1 74 ? -20.886 13.174 -24.941 1.0 1.34 ? 74 A 3 -ATOM 1134 H HD13 . LEU A1 1 74 ? -20.521 11.471 -24.665 1.0 63.14 ? 74 A 3 -ATOM 1135 H HD21 . LEU A1 1 74 ? -20.009 10.818 -22.189 1.0 12.32 ? 74 A 3 -ATOM 1136 H HD22 . LEU A1 1 74 ? -21.648 10.52 -22.768 1.0 54.43 ? 74 A 3 -ATOM 1137 H HD23 . LEU A1 1 74 ? -21.392 11.302 -21.207 1.0 14.02 ? 74 A 3 -ATOM 1138 N N . VAL A1 1 75 ? -21.194 15.587 -24.755 1.0 43.5 ? 75 A 3 -ATOM 1139 C CA . VAL A1 1 75 ? -22.276 15.871 -25.69 1.0 52.32 ? 75 A 3 -ATOM 1140 C C . VAL A1 1 75 ? -22.401 14.77 -26.736 1.0 61.15 ? 75 A 3 -ATOM 1141 O O . VAL A1 1 75 ? -21.421 14.397 -27.382 1.0 54.31 ? 75 A 3 -ATOM 1142 C CB . VAL A1 1 75 ? -22.062 17.22 -26.403 1.0 24.5 ? 75 A 3 -ATOM 1143 C CG1 . VAL A1 1 75 ? -23.245 17.54 -27.304 1.0 55.3 ? 75 A 3 -ATOM 1144 C CG2 . VAL A1 1 75 ? -21.84 18.33 -25.387 1.0 64.14 ? 75 A 3 -ATOM 1145 H H . VAL A1 1 75 ? -20.267 15.617 -25.073 1.0 70.11 ? 75 A 3 -ATOM 1146 H HA . VAL A1 1 75 ? -23.197 15.927 -25.128 1.0 60.52 ? 75 A 3 -ATOM 1147 H HB . VAL A1 1 75 ? -21.179 17.142 -27.019 1.0 44.41 ? 75 A 3 -ATOM 1148 H HG11 . VAL A1 1 75 ? -24.059 16.866 -27.083 1.0 31.54 ? 75 A 3 -ATOM 1149 H HG12 . VAL A1 1 75 ? -23.562 18.559 -27.135 1.0 61.34 ? 75 A 3 -ATOM 1150 H HG13 . VAL A1 1 75 ? -22.952 17.422 -28.337 1.0 54.52 ? 75 A 3 -ATOM 1151 H HG21 . VAL A1 1 75 ? -21.619 19.252 -25.903 1.0 5.24 ? 75 A 3 -ATOM 1152 H HG22 . VAL A1 1 75 ? -22.731 18.455 -24.791 1.0 61.35 ? 75 A 3 -ATOM 1153 H HG23 . VAL A1 1 75 ? -21.011 18.069 -24.744 1.0 24.43 ? 75 A 3 -ATOM 1154 N N . LEU A1 1 76 ? -23.614 14.252 -26.9 1.0 35.1 ? 76 A 3 -ATOM 1155 C CA . LEU A1 1 76 ? -23.869 13.193 -27.87 1.0 22.53 ? 76 A 3 -ATOM 1156 C C . LEU A1 1 76 ? -24.972 13.598 -28.842 1.0 2.14 ? 76 A 3 -ATOM 1157 O O . LEU A1 1 76 ? -25.989 14.165 -28.442 1.0 21.5 ? 76 A 3 -ATOM 1158 C CB . LEU A1 1 76 ? -24.257 11.899 -27.151 1.0 73.12 ? 76 A 3 -ATOM 1159 C CG . LEU A1 1 76 ? -24.193 11.935 -25.624 1.0 64.45 ? 76 A 3 -ATOM 1160 C CD1 . LEU A1 1 76 ? -25.435 12.602 -25.053 1.0 24.13 ? 76 A 3 -ATOM 1161 C CD2 . LEU A1 1 76 ? -24.036 10.529 -25.064 1.0 22.03 ? 76 A 3 -ATOM 1162 H H . LEU A1 1 76 ? -24.356 14.59 -26.357 1.0 44.32 ? 76 A 3 -ATOM 1163 H HA . LEU A1 1 76 ? -22.958 13.027 -28.426 1.0 53.04 ? 76 A 3 -ATOM 1164 H HB2 . LEU A1 1 76 ? -25.269 11.655 -27.434 1.0 71.31 ? 76 A 3 -ATOM 1165 H HB3 . LEU A1 1 76 ? -23.592 11.119 -27.493 1.0 62.14 ? 76 A 3 -ATOM 1166 H HG . LEU A1 1 76 ? -23.333 12.516 -25.319 1.0 42.11 ? 76 A 3 -ATOM 1167 H HD11 . LEU A1 1 76 ? -26.266 12.452 -25.726 1.0 12.14 ? 76 A 3 -ATOM 1168 H HD12 . LEU A1 1 76 ? -25.254 13.66 -24.936 1.0 23.21 ? 76 A 3 -ATOM 1169 H HD13 . LEU A1 1 76 ? -25.667 12.168 -24.091 1.0 40.2 ? 76 A 3 -ATOM 1170 H HD21 . LEU A1 1 76 ? -24.93 10.254 -24.525 1.0 53.24 ? 76 A 3 -ATOM 1171 H HD22 . LEU A1 1 76 ? -23.189 10.502 -24.394 1.0 72.02 ? 76 A 3 -ATOM 1172 H HD23 . LEU A1 1 76 ? -23.875 9.834 -25.875 1.0 63.4 ? 76 A 3 -ATOM 1173 N N . ARG A1 1 77 ? -24.764 13.303 -30.121 1.0 50.44 ? 77 A 3 -ATOM 1174 C CA . ARG A1 1 77 ? -25.741 13.636 -31.151 1.0 12.4 ? 77 A 3 -ATOM 1175 C C . ARG A1 1 77 ? -26.295 12.373 -31.803 1.0 10.32 ? 77 A 3 -ATOM 1176 O O . ARG A1 1 77 ? -26.109 12.146 -33.0 1.0 12.43 ? 77 A 3 -ATOM 1177 C CB . ARG A1 1 77 ? -25.107 14.536 -32.214 1.0 55.35 ? 77 A 3 -ATOM 1178 C CG . ARG A1 1 77 ? -24.351 15.721 -31.636 1.0 12.22 ? 77 A 3 -ATOM 1179 C CD . ARG A1 1 77 ? -22.847 15.53 -31.748 1.0 60.22 ? 77 A 3 -ATOM 1180 N NE . ARG A1 1 77 ? -22.252 16.432 -32.731 1.0 64.33 ? 77 A 3 -ATOM 1181 C CZ . ARG A1 1 77 ? -22.141 17.743 -32.552 1.0 13.31 ? 77 A 3 -ATOM 1182 N NH1 . ARG A1 1 77 ? -22.58 18.303 -31.434 1.0 63.3 ? 77 A 3 -ATOM 1183 N NH2 . ARG A1 1 77 ? -21.588 18.498 -33.494 1.0 70.54 ? 77 A 3 -ATOM 1184 H H . ARG A1 1 77 ? -23.933 12.851 -30.379 1.0 2.41 ? 77 A 3 -ATOM 1185 H HA . ARG A1 1 77 ? -26.553 14.169 -30.678 1.0 53.23 ? 77 A 3 -ATOM 1186 H HB2 . ARG A1 1 77 ? -24.417 13.948 -32.801 1.0 41.04 ? 77 A 3 -ATOM 1187 H HB3 . ARG A1 1 77 ? -25.886 14.913 -32.859 1.0 23.23 ? 77 A 3 -ATOM 1188 H HG2 . ARG A1 1 77 ? -24.631 16.613 -32.177 1.0 3.21 ? 77 A 3 -ATOM 1189 H HG3 . ARG A1 1 77 ? -24.615 15.831 -30.595 1.0 45.32 ? 77 A 3 -ATOM 1190 H HD2 . ARG A1 1 77 ? -22.4 15.72 -30.784 1.0 24.22 ? 77 A 3 -ATOM 1191 H HD3 . ARG A1 1 77 ? -22.648 14.51 -32.042 1.0 55.12 ? 77 A 3 -ATOM 1192 H HE . ARG A1 1 77 ? -21.921 16.039 -33.565 1.0 41.44 ? 77 A 3 -ATOM 1193 H HH11 . ARG A1 1 77 ? -22.996 17.737 -30.722 1.0 31.24 ? 77 A 3 -ATOM 1194 H HH12 . ARG A1 1 77 ? -22.494 19.291 -31.301 1.0 72.5 ? 77 A 3 -ATOM 1195 H HH21 . ARG A1 1 77 ? -21.255 18.08 -34.338 1.0 71.34 ? 77 A 3 -ATOM 1196 H HH22 . ARG A1 1 77 ? -21.505 19.485 -33.358 1.0 1.44 ? 77 A 3 -ATOM 1197 N N . LEU A1 1 78 ? -26.976 11.554 -31.01 1.0 31.03 ? 78 A 3 -ATOM 1198 C CA . LEU A1 1 78 ? -27.558 10.313 -31.51 1.0 51.32 ? 78 A 3 -ATOM 1199 C C . LEU A1 1 78 ? -28.547 10.59 -32.638 1.0 14.11 ? 78 A 3 -ATOM 1200 O O . LEU A1 1 78 ? -28.465 9.99 -33.709 1.0 12.31 ? 78 A 3 -ATOM 1201 C CB . LEU A1 1 78 ? -28.258 9.561 -30.376 1.0 42.51 ? 78 A 3 -ATOM 1202 C CG . LEU A1 1 78 ? -27.379 8.621 -29.55 1.0 51.45 ? 78 A 3 -ATOM 1203 C CD1 . LEU A1 1 78 ? -26.298 9.404 -28.821 1.0 14.44 ? 78 A 3 -ATOM 1204 C CD2 . LEU A1 1 78 ? -28.224 7.829 -28.563 1.0 25.32 ? 78 A 3 -ATOM 1205 H H . LEU A1 1 78 ? -27.092 11.788 -30.066 1.0 75.31 ? 78 A 3 -ATOM 1206 H HA . LEU A1 1 78 ? -26.755 9.701 -31.893 1.0 64.2 ? 78 A 3 -ATOM 1207 H HB2 . LEU A1 1 78 ? -28.679 10.294 -29.705 1.0 61.14 ? 78 A 3 -ATOM 1208 H HB3 . LEU A1 1 78 ? -29.054 8.974 -30.811 1.0 62.32 ? 78 A 3 -ATOM 1209 H HG . LEU A1 1 78 ? -26.892 7.919 -30.213 1.0 53.42 ? 78 A 3 -ATOM 1210 H HD11 . LEU A1 1 78 ? -25.407 9.441 -29.429 1.0 3.24 ? 78 A 3 -ATOM 1211 H HD12 . LEU A1 1 78 ? -26.074 8.919 -27.882 1.0 74.14 ? 78 A 3 -ATOM 1212 H HD13 . LEU A1 1 78 ? -26.647 10.409 -28.631 1.0 11.41 ? 78 A 3 -ATOM 1213 H HD21 . LEU A1 1 78 ? -29.179 8.318 -28.435 1.0 65.32 ? 78 A 3 -ATOM 1214 H HD22 . LEU A1 1 78 ? -27.714 7.779 -27.613 1.0 65.43 ? 78 A 3 -ATOM 1215 H HD23 . LEU A1 1 78 ? -28.379 6.83 -28.943 1.0 34.04 ? 78 A 3 -ATOM 1216 N N . ARG A1 1 79 ? -29.479 11.504 -32.389 1.0 44.5 ? 79 A 3 -ATOM 1217 C CA . ARG A1 1 79 ? -30.482 11.861 -33.384 1.0 54.44 ? 79 A 3 -ATOM 1218 C C . ARG A1 1 79 ? -31.251 10.628 -33.849 1.0 43.43 ? 79 A 3 -ATOM 1219 O O . ARG A1 1 79 ? -31.105 9.544 -33.285 1.0 24.23 ? 79 A 3 -ATOM 1220 C CB . ARG A1 1 79 ? -29.822 12.546 -34.582 1.0 53.1 ? 79 A 3 -ATOM 1221 C CG . ARG A1 1 79 ? -30.393 13.921 -34.889 1.0 62.42 ? 79 A 3 -ATOM 1222 C CD . ARG A1 1 79 ? -29.419 15.026 -34.511 1.0 15.2 ? 79 A 3 -ATOM 1223 N NE . ARG A1 1 79 ? -29.671 16.256 -35.256 1.0 22.21 ? 79 A 3 -ATOM 1224 C CZ . ARG A1 1 79 ? -30.714 17.048 -35.035 1.0 43.33 ? 79 A 3 -ATOM 1225 N NH1 . ARG A1 1 79 ? -31.597 16.74 -34.095 1.0 51.34 ? 79 A 3 -ATOM 1226 N NH2 . ARG A1 1 79 ? -30.875 18.152 -35.754 1.0 24.34 ? 79 A 3 -ATOM 1227 H H . ARG A1 1 79 ? -29.492 11.948 -31.516 1.0 30.43 ? 79 A 3 -ATOM 1228 H HA . ARG A1 1 79 ? -31.175 12.55 -32.924 1.0 75.12 ? 79 A 3 -ATOM 1229 H HB2 . ARG A1 1 79 ? -28.766 12.655 -34.383 1.0 72.51 ? 79 A 3 -ATOM 1230 H HB3 . ARG A1 1 79 ? -29.953 11.923 -35.454 1.0 62.3 ? 79 A 3 -ATOM 1231 H HG2 . ARG A1 1 79 ? -30.601 13.987 -35.947 1.0 34.21 ? 79 A 3 -ATOM 1232 H HG3 . ARG A1 1 79 ? -31.308 14.053 -34.331 1.0 51.44 ? 79 A 3 -ATOM 1233 H HD2 . ARG A1 1 79 ? -29.517 15.229 -33.455 1.0 21.42 ? 79 A 3 -ATOM 1234 H HD3 . ARG A1 1 79 ? -28.414 14.688 -34.72 1.0 24.22 ? 79 A 3 -ATOM 1235 H HE . ARG A1 1 79 ? -29.03 16.503 -35.955 1.0 63.2 ? 79 A 3 -ATOM 1236 H HH11 . ARG A1 1 79 ? -31.478 15.91 -33.551 1.0 0.03 ? 79 A 3 -ATOM 1237 H HH12 . ARG A1 1 79 ? -32.381 17.339 -33.93 1.0 54.33 ? 79 A 3 -ATOM 1238 H HH21 . ARG A1 1 79 ? -30.211 18.387 -36.463 1.0 72.3 ? 79 A 3 -ATOM 1239 H HH22 . ARG A1 1 79 ? -31.66 18.747 -35.587 1.0 2.44 ? 79 A 3 -ATOM 1240 N N . GLY A1 1 80 ? -32.07 10.802 -34.882 1.0 11.03 ? 80 A 3 -ATOM 1241 C CA . GLY A1 1 80 ? -32.85 9.695 -35.405 1.0 3.12 ? 80 A 3 -ATOM 1242 C C . GLY A1 1 80 ? -34.29 10.079 -35.681 1.0 52.34 ? 80 A 3 -ATOM 1243 O O . GLY A1 1 80 ? -34.583 10.737 -36.678 1.0 43.44 ? 80 A 3 -ATOM 1244 H H . GLY A1 1 80 ? -32.146 11.689 -35.292 1.0 0.24 ? 80 A 3 -ATOM 1245 H HA2 . GLY A1 1 80 ? -32.397 9.352 -36.323 1.0 71.24 ? 80 A 3 -ATOM 1246 H HA3 . GLY A1 1 80 ? -32.837 8.889 -34.685 1.0 43.14 ? 80 A 3 -ATOM 1247 N N . GLY A1 1 81 ? -35.192 9.666 -34.796 1.0 43.34 ? 81 A 3 -ATOM 1248 C CA . GLY A1 1 81 ? -36.598 9.979 -34.969 1.0 20.2 ? 81 A 3 -ATOM 1249 C C . GLY A1 1 81 ? -37.332 8.926 -35.776 1.0 63.23 ? 81 A 3 -ATOM 1250 O O . GLY A1 1 81 ? -36.826 8.447 -36.791 1.0 30.24 ? 81 A 3 -ATOM 1251 H H . GLY A1 1 81 ? -34.9 9.144 -34.019 1.0 11.33 ? 81 A 3 -ATOM 1252 H HA2 . GLY A1 1 81 ? -37.06 10.059 -33.996 1.0 30.51 ? 81 A 3 -ATOM 1253 H HA3 . GLY A1 1 81 ? -36.684 10.929 -35.476 1.0 55.14 ? 81 A 3 -ATOM 1254 N N . VAL A1 1 82 ? -38.528 8.563 -35.323 1.0 30.52 ? 82 A 3 -ATOM 1255 C CA . VAL A1 1 82 ? -39.332 7.559 -36.01 1.0 4.45 ? 82 A 3 -ATOM 1256 C C . VAL A1 1 82 ? -40.078 8.167 -37.193 1.0 63.52 ? 82 A 3 -ATOM 1257 O O . VAL A1 1 82 ? -39.728 7.931 -38.349 1.0 12.52 ? 82 A 3 -ATOM 1258 C CB . VAL A1 1 82 ? -40.35 6.907 -35.056 1.0 53.54 ? 82 A 3 -ATOM 1259 C CG1 . VAL A1 1 82 ? -41.052 5.743 -35.738 1.0 33.31 ? 82 A 3 -ATOM 1260 C CG2 . VAL A1 1 82 ? -39.665 6.452 -33.776 1.0 1.13 ? 82 A 3 -ATOM 1261 H H . VAL A1 1 82 ? -38.878 8.981 -34.509 1.0 42.11 ? 82 A 3 -ATOM 1262 H HA . VAL A1 1 82 ? -38.667 6.79 -36.374 1.0 65.12 ? 82 A 3 -ATOM 1263 H HB . VAL A1 1 82 ? -41.095 7.645 -34.797 1.0 3.02 ? 82 A 3 -ATOM 1264 H HG11 . VAL A1 1 82 ? -41.945 5.488 -35.186 1.0 71.54 ? 82 A 3 -ATOM 1265 H HG12 . VAL A1 1 82 ? -41.318 6.023 -36.747 1.0 43.52 ? 82 A 3 -ATOM 1266 H HG13 . VAL A1 1 82 ? -40.39 4.889 -35.764 1.0 60.31 ? 82 A 3 -ATOM 1267 H HG21 . VAL A1 1 82 ? -40.367 5.902 -33.167 1.0 51.1 ? 82 A 3 -ATOM 1268 H HG22 . VAL A1 1 82 ? -38.828 5.816 -34.024 1.0 43.42 ? 82 A 3 -ATOM 1269 H HG23 . VAL A1 1 82 ? -39.312 7.314 -33.23 1.0 61.21 ? 82 A 3 -ATOM 1 N N . GLY A1 1 1 ? -15.13 -4.109 -7.524 1.0 13.0 ? 1 A 4 -ATOM 2 C CA . GLY A1 1 1 ? -14.03 -3.547 -6.762 1.0 45.03 ? 1 A 4 -ATOM 3 C C . GLY A1 1 1 ? -13.407 -2.345 -7.444 1.0 65.21 ? 1 A 4 -ATOM 4 O O . GLY A1 1 1 ? -12.323 -2.425 -8.023 1.0 33.34 ? 1 A 4 -ATOM 5 H H1 . GLY A1 1 1 ? -15.976 -3.618 -7.594 1.0 52.4 ? 1 A 4 -ATOM 6 H HA2 . GLY A1 1 1 ? -14.395 -3.248 -5.791 1.0 14.15 ? 1 A 4 -ATOM 7 H HA3 . GLY A1 1 1 ? -13.272 -4.306 -6.633 1.0 34.23 ? 1 A 4 -ATOM 8 N N . PRO A1 1 2 ? -14.102 -1.199 -7.382 1.0 55.32 ? 2 A 4 -ATOM 9 C CA . PRO A1 1 2 ? -13.63 0.047 -7.995 1.0 21.43 ? 2 A 4 -ATOM 10 C C . PRO A1 1 2 ? -12.42 0.626 -7.27 1.0 41.45 ? 2 A 4 -ATOM 11 O O . PRO A1 1 2 ? -12.521 1.064 -6.123 1.0 62.42 ? 2 A 4 -ATOM 12 C CB . PRO A1 1 2 ? -14.832 0.985 -7.863 1.0 51.45 ? 2 A 4 -ATOM 13 C CG . PRO A1 1 2 ? -15.595 0.46 -6.696 1.0 43.11 ? 2 A 4 -ATOM 14 C CD . PRO A1 1 2 ? -15.401 -1.031 -6.71 1.0 64.14 ? 2 A 4 -ATOM 15 H HA . PRO A1 1 2 ? -13.391 -0.09 -9.039 1.0 31.54 ? 2 A 4 -ATOM 16 H HB2 . PRO A1 1 2 ? -14.487 1.994 -7.689 1.0 42.4 ? 2 A 4 -ATOM 17 H HB3 . PRO A1 1 2 ? -15.421 0.95 -8.767 1.0 62.54 ? 2 A 4 -ATOM 18 H HG2 . PRO A1 1 2 ? -15.204 0.881 -5.782 1.0 3.22 ? 2 A 4 -ATOM 19 H HG3 . PRO A1 1 2 ? -16.642 0.702 -6.804 1.0 51.14 ? 2 A 4 -ATOM 20 H HD2 . PRO A1 1 2 ? -15.366 -1.416 -5.702 1.0 11.0 ? 2 A 4 -ATOM 21 H HD3 . PRO A1 1 2 ? -16.19 -1.509 -7.272 1.0 24.12 ? 2 A 4 -ATOM 22 N N . LEU A1 1 3 ? -11.276 0.628 -7.946 1.0 34.12 ? 3 A 4 -ATOM 23 C CA . LEU A1 1 3 ? -10.045 1.155 -7.366 1.0 54.03 ? 3 A 4 -ATOM 24 C C . LEU A1 1 3 ? -8.94 1.236 -8.415 1.0 63.21 ? 3 A 4 -ATOM 25 O O . LEU A1 1 3 ? -8.731 0.299 -9.184 1.0 11.24 ? 3 A 4 -ATOM 26 C CB . LEU A1 1 3 ? -9.592 0.278 -6.198 1.0 60.12 ? 3 A 4 -ATOM 27 C CG . LEU A1 1 3 ? -9.307 -1.188 -6.529 1.0 64.13 ? 3 A 4 -ATOM 28 C CD1 . LEU A1 1 3 ? -7.859 -1.366 -6.959 1.0 62.25 ? 3 A 4 -ATOM 29 C CD2 . LEU A1 1 3 ? -9.625 -2.076 -5.336 1.0 0.12 ? 3 A 4 -ATOM 30 H H . LEU A1 1 3 ? -11.257 0.266 -8.856 1.0 52.35 ? 3 A 4 -ATOM 31 H HA . LEU A1 1 3 ? -10.251 2.15 -7.0 1.0 43.13 ? 3 A 4 -ATOM 32 H HB2 . LEU A1 1 3 ? -8.688 0.707 -5.794 1.0 74.24 ? 3 A 4 -ATOM 33 H HB3 . LEU A1 1 3 ? -10.368 0.303 -5.446 1.0 72.41 ? 3 A 4 -ATOM 34 H HG . LEU A1 1 3 ? -9.939 -1.493 -7.352 1.0 43.5 ? 3 A 4 -ATOM 35 H HD11 . LEU A1 1 3 ? -7.391 -0.398 -7.058 1.0 50.45 ? 3 A 4 -ATOM 36 H HD12 . LEU A1 1 3 ? -7.826 -1.881 -7.907 1.0 4.34 ? 3 A 4 -ATOM 37 H HD13 . LEU A1 1 3 ? -7.333 -1.947 -6.215 1.0 54.42 ? 3 A 4 -ATOM 38 H HD21 . LEU A1 1 3 ? -9.144 -1.68 -4.454 1.0 23.33 ? 3 A 4 -ATOM 39 H HD22 . LEU A1 1 3 ? -9.263 -3.076 -5.525 1.0 1.01 ? 3 A 4 -ATOM 40 H HD23 . LEU A1 1 3 ? -10.694 -2.104 -5.182 1.0 75.24 ? 3 A 4 -ATOM 41 N N . GLY A1 1 4 ? -8.234 2.362 -8.438 1.0 4.21 ? 4 A 4 -ATOM 42 C CA . GLY A1 1 4 ? -7.158 2.543 -9.394 1.0 43.34 ? 4 A 4 -ATOM 43 C C . GLY A1 1 4 ? -6.348 3.796 -9.124 1.0 32.24 ? 4 A 4 -ATOM 44 O O . GLY A1 1 4 ? -5.897 4.022 -8.001 1.0 73.31 ? 4 A 4 -ATOM 45 H H . GLY A1 1 4 ? -8.446 3.076 -7.8 1.0 2.13 ? 4 A 4 -ATOM 46 H HA2 . GLY A1 1 4 ? -6.503 1.686 -9.349 1.0 53.5 ? 4 A 4 -ATOM 47 H HA3 . GLY A1 1 4 ? -7.58 2.609 -10.386 1.0 61.41 ? 4 A 4 -ATOM 48 N N . SER A1 1 5 ? -6.161 4.612 -10.157 1.0 14.33 ? 5 A 4 -ATOM 49 C CA . SER A1 1 5 ? -5.394 5.846 -10.027 1.0 12.42 ? 5 A 4 -ATOM 50 C C . SER A1 1 5 ? -6.297 7.005 -9.618 1.0 43.22 ? 5 A 4 -ATOM 51 O O . SER A1 1 5 ? -6.175 7.543 -8.518 1.0 33.52 ? 5 A 4 -ATOM 52 C CB . SER A1 1 5 ? -4.689 6.174 -11.344 1.0 72.02 ? 5 A 4 -ATOM 53 O OG . SER A1 1 5 ? -3.513 6.932 -11.119 1.0 21.35 ? 5 A 4 -ATOM 54 H H . SER A1 1 5 ? -6.546 4.377 -11.027 1.0 31.12 ? 5 A 4 -ATOM 55 H HA . SER A1 1 5 ? -4.651 5.695 -9.258 1.0 12.32 ? 5 A 4 -ATOM 56 H HB2 . SER A1 1 5 ? -4.42 5.255 -11.844 1.0 41.01 ? 5 A 4 -ATOM 57 H HB3 . SER A1 1 5 ? -5.356 6.744 -11.974 1.0 74.13 ? 5 A 4 -ATOM 58 H HG . SER A1 1 5 ? -2.827 6.361 -10.767 1.0 33.45 ? 5 A 4 -ATOM 59 N N . MET A1 1 6 ? -7.204 7.385 -10.512 1.0 14.01 ? 6 A 4 -ATOM 60 C CA . MET A1 1 6 ? -8.129 8.481 -10.244 1.0 54.33 ? 6 A 4 -ATOM 61 C C . MET A1 1 6 ? -9.472 8.237 -10.926 1.0 31.44 ? 6 A 4 -ATOM 62 O O . MET A1 1 6 ? -9.698 7.177 -11.508 1.0 1.11 ? 6 A 4 -ATOM 63 C CB . MET A1 1 6 ? -7.534 9.807 -10.723 1.0 70.21 ? 6 A 4 -ATOM 64 C CG . MET A1 1 6 ? -6.818 9.705 -12.059 1.0 25.05 ? 6 A 4 -ATOM 65 S SD . MET A1 1 6 ? -5.033 9.519 -11.878 1.0 3.44 ? 6 A 4 -ATOM 66 C CE . MET A1 1 6 ? -4.505 11.229 -11.958 1.0 13.21 ? 6 A 4 -ATOM 67 H H . MET A1 1 6 ? -7.254 6.918 -11.372 1.0 2.32 ? 6 A 4 -ATOM 68 H HA . MET A1 1 6 ? -8.283 8.53 -9.177 1.0 5.22 ? 6 A 4 -ATOM 69 H HB2 . MET A1 1 6 ? -8.33 10.53 -10.819 1.0 62.43 ? 6 A 4 -ATOM 70 H HB3 . MET A1 1 6 ? -6.827 10.157 -9.986 1.0 63.34 ? 6 A 4 -ATOM 71 H HG2 . MET A1 1 6 ? -7.201 8.849 -12.594 1.0 33.13 ? 6 A 4 -ATOM 72 H HG3 . MET A1 1 6 ? -7.017 10.601 -12.628 1.0 12.41 ? 6 A 4 -ATOM 73 H HE1 . MET A1 1 6 ? -5.323 11.842 -12.309 1.0 12.23 ? 6 A 4 -ATOM 74 H HE2 . MET A1 1 6 ? -4.205 11.559 -10.974 1.0 52.54 ? 6 A 4 -ATOM 75 H HE3 . MET A1 1 6 ? -3.671 11.316 -12.637 1.0 2.41 ? 6 A 4 -ATOM 76 N N . GLN A1 1 7 ? -10.358 9.225 -10.847 1.0 13.12 ? 7 A 4 -ATOM 77 C CA . GLN A1 1 7 ? -11.678 9.115 -11.456 1.0 13.2 ? 7 A 4 -ATOM 78 C C . GLN A1 1 7 ? -12.079 10.426 -12.126 1.0 42.42 ? 7 A 4 -ATOM 79 O O . GLN A1 1 7 ? -11.556 11.49 -11.792 1.0 71.33 ? 7 A 4 -ATOM 80 C CB . GLN A1 1 7 ? -12.718 8.729 -10.403 1.0 42.01 ? 7 A 4 -ATOM 81 C CG . GLN A1 1 7 ? -12.232 7.668 -9.428 1.0 12.34 ? 7 A 4 -ATOM 82 C CD . GLN A1 1 7 ? -13.196 7.444 -8.28 1.0 44.31 ? 7 A 4 -ATOM 83 O OE1 . GLN A1 1 7 ? -14.345 7.885 -8.325 1.0 33.44 ? 7 A 4 -ATOM 84 N NE2 . GLN A1 1 7 ? -12.734 6.755 -7.244 1.0 73.32 ? 7 A 4 -ATOM 85 H H . GLN A1 1 7 ? -10.118 10.045 -10.369 1.0 71.21 ? 7 A 4 -ATOM 86 H HA . GLN A1 1 7 ? -11.634 8.341 -12.206 1.0 62.03 ? 7 A 4 -ATOM 87 H HB2 . GLN A1 1 7 ? -12.986 9.61 -9.838 1.0 13.25 ? 7 A 4 -ATOM 88 H HB3 . GLN A1 1 7 ? -13.597 8.351 -10.904 1.0 41.42 ? 7 A 4 -ATOM 89 H HG2 . GLN A1 1 7 ? -12.109 6.737 -9.962 1.0 43.33 ? 7 A 4 -ATOM 90 H HG3 . GLN A1 1 7 ? -11.28 7.978 -9.024 1.0 33.21 ? 7 A 4 -ATOM 91 H HE21 . GLN A1 1 7 ? -11.807 6.436 -7.277 1.0 52.01 ? 7 A 4 -ATOM 92 H HE22 . GLN A1 1 7 ? -13.335 6.597 -6.488 1.0 55.43 ? 7 A 4 -ATOM 93 N N . ILE A1 1 8 ? -13.008 10.341 -13.072 1.0 12.12 ? 8 A 4 -ATOM 94 C CA . ILE A1 1 8 ? -13.478 11.52 -13.788 1.0 64.2 ? 8 A 4 -ATOM 95 C C . ILE A1 1 8 ? -15.001 11.591 -13.79 1.0 0.33 ? 8 A 4 -ATOM 96 O O . ILE A1 1 8 ? -15.681 10.571 -13.671 1.0 11.35 ? 8 A 4 -ATOM 97 C CB . ILE A1 1 8 ? -12.973 11.533 -15.243 1.0 65.34 ? 8 A 4 -ATOM 98 C CG1 . ILE A1 1 8 ? -12.115 10.297 -15.52 1.0 72.33 ? 8 A 4 -ATOM 99 C CG2 . ILE A1 1 8 ? -12.185 12.805 -15.519 1.0 55.24 ? 8 A 4 -ATOM 100 C CD1 . ILE A1 1 8 ? -11.73 10.142 -16.975 1.0 11.02 ? 8 A 4 -ATOM 101 H H . ILE A1 1 8 ? -13.386 9.464 -13.293 1.0 43.45 ? 8 A 4 -ATOM 102 H HA . ILE A1 1 8 ? -13.088 12.393 -13.285 1.0 41.41 ? 8 A 4 -ATOM 103 H HB . ILE A1 1 8 ? -13.831 11.521 -15.898 1.0 13.24 ? 8 A 4 -ATOM 104 H HG12 . ILE A1 1 8 ? -11.206 10.362 -14.942 1.0 4.11 ? 8 A 4 -ATOM 105 H HG13 . ILE A1 1 8 ? -12.663 9.414 -15.224 1.0 33.41 ? 8 A 4 -ATOM 106 H HG21 . ILE A1 1 8 ? -12.87 13.617 -15.714 1.0 12.11 ? 8 A 4 -ATOM 107 H HG22 . ILE A1 1 8 ? -11.579 13.046 -14.658 1.0 14.43 ? 8 A 4 -ATOM 108 H HG23 . ILE A1 1 8 ? -11.549 12.656 -16.378 1.0 53.13 ? 8 A 4 -ATOM 109 H HD11 . ILE A1 1 8 ? -10.668 9.956 -17.048 1.0 4.51 ? 8 A 4 -ATOM 110 H HD12 . ILE A1 1 8 ? -12.27 9.31 -17.403 1.0 22.53 ? 8 A 4 -ATOM 111 H HD13 . ILE A1 1 8 ? -11.975 11.046 -17.511 1.0 32.23 ? 8 A 4 -ATOM 112 N N . PHE A1 1 9 ? -15.532 12.802 -13.927 1.0 44.42 ? 9 A 4 -ATOM 113 C CA . PHE A1 1 9 ? -16.975 13.006 -13.945 1.0 45.42 ? 9 A 4 -ATOM 114 C C . PHE A1 1 9 ? -17.451 13.401 -15.34 1.0 62.05 ? 9 A 4 -ATOM 115 O O . PHE A1 1 9 ? -16.954 14.36 -15.93 1.0 33.13 ? 9 A 4 -ATOM 116 C CB . PHE A1 1 9 ? -17.371 14.085 -12.935 1.0 42.3 ? 9 A 4 -ATOM 117 C CG . PHE A1 1 9 ? -18.024 13.538 -11.698 1.0 44.44 ? 9 A 4 -ATOM 118 C CD1 . PHE A1 1 9 ? -19.246 12.889 -11.773 1.0 24.21 ? 9 A 4 -ATOM 119 C CD2 . PHE A1 1 9 ? -17.416 13.673 -10.46 1.0 24.11 ? 9 A 4 -ATOM 120 C CE1 . PHE A1 1 9 ? -19.849 12.384 -10.636 1.0 54.33 ? 9 A 4 -ATOM 121 C CE2 . PHE A1 1 9 ? -18.014 13.169 -9.321 1.0 62.43 ? 9 A 4 -ATOM 122 C CZ . PHE A1 1 9 ? -19.233 12.525 -9.409 1.0 72.21 ? 9 A 4 -ATOM 123 H H . PHE A1 1 9 ? -14.937 13.576 -14.018 1.0 15.35 ? 9 A 4 -ATOM 124 H HA . PHE A1 1 9 ? -17.445 12.076 -13.667 1.0 72.15 ? 9 A 4 -ATOM 125 H HB2 . PHE A1 1 9 ? -16.488 14.626 -12.632 1.0 13.22 ? 9 A 4 -ATOM 126 H HB3 . PHE A1 1 9 ? -18.064 14.769 -13.403 1.0 20.44 ? 9 A 4 -ATOM 127 H HD1 . PHE A1 1 9 ? -19.73 12.778 -12.733 1.0 63.23 ? 9 A 4 -ATOM 128 H HD2 . PHE A1 1 9 ? -16.463 14.177 -10.39 1.0 43.5 ? 9 A 4 -ATOM 129 H HE1 . PHE A1 1 9 ? -20.802 11.881 -10.709 1.0 53.21 ? 9 A 4 -ATOM 130 H HE2 . PHE A1 1 9 ? -17.53 13.281 -8.362 1.0 61.25 ? 9 A 4 -ATOM 131 H HZ . PHE A1 1 9 ? -19.702 12.131 -8.52 1.0 11.33 ? 9 A 4 -ATOM 132 N N . VAL A1 1 10 ? -18.417 12.652 -15.863 1.0 35.51 ? 10 A 4 -ATOM 133 C CA . VAL A1 1 10 ? -18.962 12.922 -17.188 1.0 51.35 ? 10 A 4 -ATOM 134 C C . VAL A1 1 10 ? -20.435 13.308 -17.109 1.0 20.3 ? 10 A 4 -ATOM 135 O O . VAL A1 1 10 ? -21.242 12.599 -16.507 1.0 33.54 ? 10 A 4 -ATOM 136 C CB . VAL A1 1 10 ? -18.811 11.702 -18.116 1.0 1.24 ? 10 A 4 -ATOM 137 C CG1 . VAL A1 1 10 ? -18.829 12.135 -19.574 1.0 43.55 ? 10 A 4 -ATOM 138 C CG2 . VAL A1 1 10 ? -17.534 10.942 -17.793 1.0 70.41 ? 10 A 4 -ATOM 139 H H . VAL A1 1 10 ? -18.773 11.9 -15.344 1.0 13.11 ? 10 A 4 -ATOM 140 H HA . VAL A1 1 10 ? -18.407 13.744 -17.616 1.0 52.2 ? 10 A 4 -ATOM 141 H HB . VAL A1 1 10 ? -19.65 11.043 -17.949 1.0 21.21 ? 10 A 4 -ATOM 142 H HG11 . VAL A1 1 10 ? -18.296 11.409 -20.171 1.0 75.22 ? 10 A 4 -ATOM 143 H HG12 . VAL A1 1 10 ? -19.851 12.206 -19.917 1.0 54.41 ? 10 A 4 -ATOM 144 H HG13 . VAL A1 1 10 ? -18.349 13.099 -19.669 1.0 61.31 ? 10 A 4 -ATOM 145 H HG21 . VAL A1 1 10 ? -17.65 10.426 -16.851 1.0 13.24 ? 10 A 4 -ATOM 146 H HG22 . VAL A1 1 10 ? -17.335 10.225 -18.575 1.0 62.44 ? 10 A 4 -ATOM 147 H HG23 . VAL A1 1 10 ? -16.709 11.636 -17.722 1.0 2.35 ? 10 A 4 -ATOM 148 N N . LYS A1 1 11 ? -20.779 14.436 -17.721 1.0 23.3 ? 11 A 4 -ATOM 149 C CA . LYS A1 1 11 ? -22.155 14.917 -17.723 1.0 10.31 ? 11 A 4 -ATOM 150 C C . LYS A1 1 11 ? -22.798 14.722 -19.092 1.0 22.12 ? 11 A 4 -ATOM 151 O O . LYS A1 1 11 ? -22.395 15.346 -20.074 1.0 63.21 ? 11 A 4 -ATOM 152 C CB . LYS A1 1 11 ? -22.201 16.396 -17.332 1.0 34.41 ? 11 A 4 -ATOM 153 C CG . LYS A1 1 11 ? -23.536 17.06 -17.621 1.0 63.11 ? 11 A 4 -ATOM 154 C CD . LYS A1 1 11 ? -23.524 18.528 -17.229 1.0 3.15 ? 11 A 4 -ATOM 155 C CE . LYS A1 1 11 ? -23.214 19.421 -18.421 1.0 2.52 ? 11 A 4 -ATOM 156 N NZ . LYS A1 1 11 ? -23.396 20.863 -18.096 1.0 51.12 ? 11 A 4 -ATOM 157 H H . LYS A1 1 11 ? -20.09 14.958 -18.184 1.0 4.15 ? 11 A 4 -ATOM 158 H HA . LYS A1 1 11 ? -22.708 14.343 -16.994 1.0 44.21 ? 11 A 4 -ATOM 159 H HB2 . LYS A1 1 11 ? -22.001 16.482 -16.274 1.0 75.01 ? 11 A 4 -ATOM 160 H HB3 . LYS A1 1 11 ? -21.434 16.924 -17.879 1.0 15.43 ? 11 A 4 -ATOM 161 H HG2 . LYS A1 1 11 ? -23.745 16.983 -18.678 1.0 73.24 ? 11 A 4 -ATOM 162 H HG3 . LYS A1 1 11 ? -24.309 16.553 -17.061 1.0 30.03 ? 11 A 4 -ATOM 163 H HD2 . LYS A1 1 11 ? -24.495 18.795 -16.837 1.0 63.51 ? 11 A 4 -ATOM 164 H HD3 . LYS A1 1 11 ? -22.772 18.683 -16.468 1.0 61.22 ? 11 A 4 -ATOM 165 H HE2 . LYS A1 1 11 ? -22.19 19.255 -18.721 1.0 70.24 ? 11 A 4 -ATOM 166 H HE3 . LYS A1 1 11 ? -23.874 19.157 -19.233 1.0 3.13 ? 11 A 4 -ATOM 167 H HZ1 . LYS A1 1 11 ? -22.64 21.426 -18.534 1.0 1.34 ? 11 A 4 -ATOM 168 H HZ2 . LYS A1 1 11 ? -23.366 21.003 -17.066 1.0 61.44 ? 11 A 4 -ATOM 169 H HZ3 . LYS A1 1 11 ? -24.314 21.196 -18.453 1.0 12.11 ? 11 A 4 -ATOM 170 N N . THR A1 1 12 ? -23.803 13.853 -19.151 1.0 60.33 ? 12 A 4 -ATOM 171 C CA . THR A1 1 12 ? -24.501 13.576 -20.4 1.0 63.11 ? 12 A 4 -ATOM 172 C C . THR A1 1 12 ? -25.407 14.738 -20.792 1.0 63.2 ? 12 A 4 -ATOM 173 O O . THR A1 1 12 ? -25.77 15.565 -19.955 1.0 23.14 ? 12 A 4 -ATOM 174 C CB . THR A1 1 12 ? -25.347 12.293 -20.298 1.0 13.53 ? 12 A 4 -ATOM 175 O OG1 . THR A1 1 12 ? -26.496 12.527 -19.477 1.0 44.22 ? 12 A 4 -ATOM 176 C CG2 . THR A1 1 12 ? -24.528 11.149 -19.718 1.0 44.25 ? 12 A 4 -ATOM 177 H H . THR A1 1 12 ? -24.078 13.386 -18.335 1.0 50.31 ? 12 A 4 -ATOM 178 H HA . THR A1 1 12 ? -23.76 13.433 -21.173 1.0 15.31 ? 12 A 4 -ATOM 179 H HB . THR A1 1 12 ? -25.673 12.015 -21.29 1.0 3.11 ? 12 A 4 -ATOM 180 H HG1 . THR A1 1 12 ? -27.139 11.828 -19.619 1.0 54.01 ? 12 A 4 -ATOM 181 H HG21 . THR A1 1 12 ? -23.677 10.959 -20.354 1.0 54.24 ? 12 A 4 -ATOM 182 H HG22 . THR A1 1 12 ? -25.14 10.261 -19.66 1.0 51.32 ? 12 A 4 -ATOM 183 H HG23 . THR A1 1 12 ? -24.186 11.417 -18.73 1.0 74.05 ? 12 A 4 -ATOM 184 N N . LEU A1 1 13 ? -25.769 14.795 -22.069 1.0 74.21 ? 13 A 4 -ATOM 185 C CA . LEU A1 1 13 ? -26.634 15.856 -22.573 1.0 74.52 ? 13 A 4 -ATOM 186 C C . LEU A1 1 13 ? -27.972 15.861 -21.841 1.0 25.21 ? 13 A 4 -ATOM 187 O O . LEU A1 1 13 ? -28.697 16.857 -21.854 1.0 11.35 ? 13 A 4 -ATOM 188 C CB . LEU A1 1 13 ? -26.862 15.685 -24.075 1.0 31.51 ? 13 A 4 -ATOM 189 C CG . LEU A1 1 13 ? -27.507 16.87 -24.796 1.0 30.32 ? 13 A 4 -ATOM 190 C CD1 . LEU A1 1 13 ? -26.454 17.899 -25.178 1.0 44.31 ? 13 A 4 -ATOM 191 C CD2 . LEU A1 1 13 ? -28.265 16.397 -26.027 1.0 64.01 ? 13 A 4 -ATOM 192 H H . LEU A1 1 13 ? -25.448 14.107 -22.689 1.0 42.02 ? 13 A 4 -ATOM 193 H HA . LEU A1 1 13 ? -26.138 16.799 -22.397 1.0 34.1 ? 13 A 4 -ATOM 194 H HB2 . LEU A1 1 13 ? -25.904 15.5 -24.536 1.0 62.11 ? 13 A 4 -ATOM 195 H HB3 . LEU A1 1 13 ? -27.5 14.824 -24.217 1.0 43.21 ? 13 A 4 -ATOM 196 H HG . LEU A1 1 13 ? -28.213 17.347 -24.13 1.0 45.4 ? 13 A 4 -ATOM 197 H HD11 . LEU A1 1 13 ? -26.699 18.849 -24.727 1.0 62.23 ? 13 A 4 -ATOM 198 H HD12 . LEU A1 1 13 ? -26.429 18.006 -26.252 1.0 23.44 ? 13 A 4 -ATOM 199 H HD13 . LEU A1 1 13 ? -25.487 17.572 -24.826 1.0 25.55 ? 13 A 4 -ATOM 200 H HD21 . LEU A1 1 13 ? -29.16 15.877 -25.721 1.0 62.14 ? 13 A 4 -ATOM 201 H HD22 . LEU A1 1 13 ? -27.639 15.73 -26.601 1.0 41.34 ? 13 A 4 -ATOM 202 H HD23 . LEU A1 1 13 ? -28.533 17.25 -26.634 1.0 51.42 ? 13 A 4 -ATOM 203 N N . THR A1 1 14 ? -28.295 14.741 -21.2 1.0 31.41 ? 14 A 4 -ATOM 204 C CA . THR A1 1 14 ? -29.545 14.616 -20.462 1.0 30.33 ? 14 A 4 -ATOM 205 C C . THR A1 1 14 ? -29.377 15.067 -19.016 1.0 22.13 ? 14 A 4 -ATOM 206 O O . THR A1 1 14 ? -30.284 14.916 -18.198 1.0 5.31 ? 14 A 4 -ATOM 207 C CB . THR A1 1 14 ? -30.065 13.166 -20.478 1.0 34.54 ? 14 A 4 -ATOM 208 O OG1 . THR A1 1 14 ? -29.242 12.341 -19.646 1.0 3.22 ? 14 A 4 -ATOM 209 C CG2 . THR A1 1 14 ? -30.079 12.613 -21.895 1.0 34.11 ? 14 A 4 -ATOM 210 H H . THR A1 1 14 ? -27.676 13.982 -21.226 1.0 2.31 ? 14 A 4 -ATOM 211 H HA . THR A1 1 14 ? -30.281 15.246 -20.942 1.0 25.44 ? 14 A 4 -ATOM 212 H HB . THR A1 1 14 ? -31.075 13.158 -20.094 1.0 55.24 ? 14 A 4 -ATOM 213 H HG1 . THR A1 1 14 ? -29.792 11.71 -19.177 1.0 24.42 ? 14 A 4 -ATOM 214 H HG21 . THR A1 1 14 ? -29.926 13.418 -22.597 1.0 1.02 ? 14 A 4 -ATOM 215 H HG22 . THR A1 1 14 ? -31.032 12.143 -22.089 1.0 12.23 ? 14 A 4 -ATOM 216 H HG23 . THR A1 1 14 ? -29.29 11.884 -22.005 1.0 12.42 ? 14 A 4 -ATOM 217 N N . GLY A1 1 15 ? -28.21 15.623 -18.705 1.0 61.2 ? 15 A 4 -ATOM 218 C CA . GLY A1 1 15 ? -27.944 16.088 -17.357 1.0 25.44 ? 15 A 4 -ATOM 219 C C . GLY A1 1 15 ? -27.766 14.948 -16.374 1.0 2.34 ? 15 A 4 -ATOM 220 O O . GLY A1 1 15 ? -28.458 14.879 -15.359 1.0 24.03 ? 15 A 4 -ATOM 221 H H . GLY A1 1 15 ? -27.523 15.718 -19.398 1.0 73.22 ? 15 A 4 -ATOM 222 H HA2 . GLY A1 1 15 ? -27.046 16.687 -17.364 1.0 10.15 ? 15 A 4 -ATOM 223 H HA3 . GLY A1 1 15 ? -28.771 16.702 -17.031 1.0 23.53 ? 15 A 4 -ATOM 224 N N . LYS A1 1 16 ? -26.836 14.049 -16.677 1.0 11.21 ? 16 A 4 -ATOM 225 C CA . LYS A1 1 16 ? -26.568 12.904 -15.814 1.0 34.13 ? 16 A 4 -ATOM 226 C C . LYS A1 1 16 ? -25.103 12.874 -15.391 1.0 15.24 ? 16 A 4 -ATOM 227 O O . LYS A1 1 16 ? -24.204 12.801 -16.23 1.0 50.04 ? 16 A 4 -ATOM 228 C CB . LYS A1 1 16 ? -26.929 11.602 -16.532 1.0 31.42 ? 16 A 4 -ATOM 229 C CG . LYS A1 1 16 ? -27.442 10.517 -15.602 1.0 73.35 ? 16 A 4 -ATOM 230 C CD . LYS A1 1 16 ? -26.31 9.643 -15.087 1.0 50.3 ? 16 A 4 -ATOM 231 C CE . LYS A1 1 16 ? -25.706 8.8 -16.199 1.0 52.44 ? 16 A 4 -ATOM 232 N NZ . LYS A1 1 16 ? -26.063 7.361 -16.06 1.0 2.53 ? 16 A 4 -ATOM 233 H H . LYS A1 1 16 ? -26.316 14.158 -17.501 1.0 52.54 ? 16 A 4 -ATOM 234 H HA . LYS A1 1 16 ? -27.183 13.002 -14.933 1.0 34.34 ? 16 A 4 -ATOM 235 H HB2 . LYS A1 1 16 ? -27.695 11.81 -17.265 1.0 44.24 ? 16 A 4 -ATOM 236 H HB3 . LYS A1 1 16 ? -26.051 11.228 -17.038 1.0 12.13 ? 16 A 4 -ATOM 237 H HG2 . LYS A1 1 16 ? -27.936 10.98 -14.76 1.0 3.41 ? 16 A 4 -ATOM 238 H HG3 . LYS A1 1 16 ? -28.146 9.897 -16.139 1.0 74.14 ? 16 A 4 -ATOM 239 H HD2 . LYS A1 1 16 ? -25.539 10.276 -14.671 1.0 63.23 ? 16 A 4 -ATOM 240 H HD3 . LYS A1 1 16 ? -26.693 8.988 -14.318 1.0 14.51 ? 16 A 4 -ATOM 241 H HE2 . LYS A1 1 16 ? -26.072 9.163 -17.147 1.0 44.12 ? 16 A 4 -ATOM 242 H HE3 . LYS A1 1 16 ? -24.631 8.9 -16.166 1.0 75.31 ? 16 A 4 -ATOM 243 H HZ1 . LYS A1 1 16 ? -25.929 7.053 -15.076 1.0 61.55 ? 16 A 4 -ATOM 244 H HZ2 . LYS A1 1 16 ? -25.46 6.782 -16.679 1.0 23.15 ? 16 A 4 -ATOM 245 H HZ3 . LYS A1 1 16 ? -27.057 7.212 -16.326 1.0 43.23 ? 16 A 4 -ATOM 246 N N . THR A1 1 17 ? -24.868 12.929 -14.083 1.0 33.03 ? 17 A 4 -ATOM 247 C CA . THR A1 1 17 ? -23.512 12.907 -13.549 1.0 61.21 ? 17 A 4 -ATOM 248 C C . THR A1 1 17 ? -23.043 11.478 -13.296 1.0 13.11 ? 17 A 4 -ATOM 249 O O . THR A1 1 17 ? -23.636 10.753 -12.497 1.0 32.24 ? 17 A 4 -ATOM 250 C CB . THR A1 1 17 ? -23.413 13.707 -12.236 1.0 22.54 ? 17 A 4 -ATOM 251 O OG1 . THR A1 1 17 ? -24.667 13.674 -11.546 1.0 24.32 ? 17 A 4 -ATOM 252 C CG2 . THR A1 1 17 ? -23.017 15.15 -12.511 1.0 72.42 ? 17 A 4 -ATOM 253 H H . THR A1 1 17 ? -25.626 12.986 -13.465 1.0 63.53 ? 17 A 4 -ATOM 254 H HA . THR A1 1 17 ? -22.859 13.366 -14.276 1.0 15.15 ? 17 A 4 -ATOM 255 H HB . THR A1 1 17 ? -22.655 13.254 -11.612 1.0 61.22 ? 17 A 4 -ATOM 256 H HG1 . THR A1 1 17 ? -24.703 14.394 -10.912 1.0 54.0 ? 17 A 4 -ATOM 257 H HG21 . THR A1 1 17 ? -23.893 15.779 -12.458 1.0 31.34 ? 17 A 4 -ATOM 258 H HG22 . THR A1 1 17 ? -22.582 15.223 -13.496 1.0 12.24 ? 17 A 4 -ATOM 259 H HG23 . THR A1 1 17 ? -22.297 15.472 -11.773 1.0 74.01 ? 17 A 4 -ATOM 260 N N . ILE A1 1 18 ? -21.977 11.081 -13.981 1.0 21.15 ? 18 A 4 -ATOM 261 C CA . ILE A1 1 18 ? -21.428 9.739 -13.829 1.0 42.23 ? 18 A 4 -ATOM 262 C C . ILE A1 1 18 ? -19.948 9.788 -13.466 1.0 2.02 ? 18 A 4 -ATOM 263 O O . ILE A1 1 18 ? -19.206 10.645 -13.948 1.0 34.24 ? 18 A 4 -ATOM 264 C CB . ILE A1 1 18 ? -21.602 8.911 -15.116 1.0 20.13 ? 18 A 4 -ATOM 265 C CG1 . ILE A1 1 18 ? -20.806 7.607 -15.02 1.0 0.43 ? 18 A 4 -ATOM 266 C CG2 . ILE A1 1 18 ? -21.164 9.717 -16.329 1.0 34.34 ? 18 A 4 -ATOM 267 C CD1 . ILE A1 1 18 ? -21.088 6.643 -16.151 1.0 41.12 ? 18 A 4 -ATOM 268 H H . ILE A1 1 18 ? -21.548 11.705 -14.603 1.0 72.35 ? 18 A 4 -ATOM 269 H HA . ILE A1 1 18 ? -21.967 9.247 -13.032 1.0 33.1 ? 18 A 4 -ATOM 270 H HB . ILE A1 1 18 ? -22.65 8.677 -15.228 1.0 55.23 ? 18 A 4 -ATOM 271 H HG12 . ILE A1 1 18 ? -19.752 7.834 -15.034 1.0 35.45 ? 18 A 4 -ATOM 272 H HG13 . ILE A1 1 18 ? -21.052 7.112 -14.092 1.0 15.51 ? 18 A 4 -ATOM 273 H HG21 . ILE A1 1 18 ? -20.259 10.259 -16.093 1.0 31.24 ? 18 A 4 -ATOM 274 H HG22 . ILE A1 1 18 ? -20.976 9.05 -17.156 1.0 60.32 ? 18 A 4 -ATOM 275 H HG23 . ILE A1 1 18 ? -21.942 10.416 -16.597 1.0 71.44 ? 18 A 4 -ATOM 276 H HD11 . ILE A1 1 18 ? -21.599 7.163 -16.949 1.0 32.31 ? 18 A 4 -ATOM 277 H HD12 . ILE A1 1 18 ? -20.157 6.242 -16.524 1.0 60.24 ? 18 A 4 -ATOM 278 H HD13 . ILE A1 1 18 ? -21.71 5.837 -15.792 1.0 25.35 ? 18 A 4 -ATOM 279 N N . THR A1 1 19 ? -19.522 8.862 -12.612 1.0 42.32 ? 19 A 4 -ATOM 280 C CA . THR A1 1 19 ? -18.131 8.799 -12.184 1.0 41.24 ? 19 A 4 -ATOM 281 C C . THR A1 1 19 ? -17.468 7.51 -12.657 1.0 70.21 ? 19 A 4 -ATOM 282 O O . THR A1 1 19 ? -18.069 6.436 -12.602 1.0 44.42 ? 19 A 4 -ATOM 283 C CB . THR A1 1 19 ? -18.009 8.893 -10.651 1.0 2.4 ? 19 A 4 -ATOM 284 O OG1 . THR A1 1 19 ? -19.274 9.249 -10.081 1.0 22.32 ? 19 A 4 -ATOM 285 C CG2 . THR A1 1 19 ? -16.96 9.92 -10.253 1.0 13.14 ? 19 A 4 -ATOM 286 H H . THR A1 1 19 ? -20.161 8.207 -12.262 1.0 1.15 ? 19 A 4 -ATOM 287 H HA . THR A1 1 19 ? -17.61 9.64 -12.618 1.0 65.43 ? 19 A 4 -ATOM 288 H HB . THR A1 1 19 ? -17.71 7.927 -10.269 1.0 44.24 ? 19 A 4 -ATOM 289 H HG1 . THR A1 1 19 ? -19.487 8.64 -9.369 1.0 60.25 ? 19 A 4 -ATOM 290 H HG21 . THR A1 1 19 ? -15.987 9.454 -10.244 1.0 73.33 ? 19 A 4 -ATOM 291 H HG22 . THR A1 1 19 ? -17.186 10.302 -9.269 1.0 23.45 ? 19 A 4 -ATOM 292 H HG23 . THR A1 1 19 ? -16.964 10.732 -10.965 1.0 51.03 ? 19 A 4 -ATOM 293 N N . ILE A1 1 20 ? -16.228 7.623 -13.119 1.0 2.13 ? 20 A 4 -ATOM 294 C CA . ILE A1 1 20 ? -15.484 6.465 -13.6 1.0 23.24 ? 20 A 4 -ATOM 295 C C . ILE A1 1 20 ? -14.011 6.561 -13.218 1.0 21.51 ? 20 A 4 -ATOM 296 O O . ILE A1 1 20 ? -13.374 7.596 -13.415 1.0 3.54 ? 20 A 4 -ATOM 297 C CB . ILE A1 1 20 ? -15.597 6.317 -15.128 1.0 55.55 ? 20 A 4 -ATOM 298 C CG1 . ILE A1 1 20 ? -15.636 7.695 -15.794 1.0 1.5 ? 20 A 4 -ATOM 299 C CG2 . ILE A1 1 20 ? -16.836 5.513 -15.492 1.0 1.32 ? 20 A 4 -ATOM 300 C CD1 . ILE A1 1 20 ? -14.951 7.733 -17.142 1.0 2.4 ? 20 A 4 -ATOM 301 H H . ILE A1 1 20 ? -15.803 8.505 -13.137 1.0 32.52 ? 20 A 4 -ATOM 302 H HA . ILE A1 1 20 ? -15.907 5.583 -13.14 1.0 40.32 ? 20 A 4 -ATOM 303 H HB . ILE A1 1 20 ? -14.731 5.779 -15.481 1.0 75.22 ? 20 A 4 -ATOM 304 H HG12 . ILE A1 1 20 ? -16.663 7.991 -15.936 1.0 4.24 ? 20 A 4 -ATOM 305 H HG13 . ILE A1 1 20 ? -15.145 8.411 -15.151 1.0 20.02 ? 20 A 4 -ATOM 306 H HG21 . ILE A1 1 20 ? -17.002 4.75 -14.746 1.0 41.11 ? 20 A 4 -ATOM 307 H HG22 . ILE A1 1 20 ? -17.693 6.169 -15.531 1.0 51.34 ? 20 A 4 -ATOM 308 H HG23 . ILE A1 1 20 ? -16.694 5.048 -16.456 1.0 74.34 ? 20 A 4 -ATOM 309 H HD11 . ILE A1 1 20 ? -15.089 6.786 -17.643 1.0 44.23 ? 20 A 4 -ATOM 310 H HD12 . ILE A1 1 20 ? -15.38 8.522 -17.742 1.0 43.31 ? 20 A 4 -ATOM 311 H HD13 . ILE A1 1 20 ? -13.896 7.916 -17.006 1.0 23.14 ? 20 A 4 -ATOM 312 N N . ASP A1 1 21 ? -13.475 5.475 -12.672 1.0 44.41 ? 21 A 4 -ATOM 313 C CA . ASP A1 1 21 ? -12.075 5.435 -12.265 1.0 13.43 ? 21 A 4 -ATOM 314 C C . ASP A1 1 21 ? -11.171 5.124 -13.454 1.0 74.52 ? 21 A 4 -ATOM 315 O O . ASP A1 1 21 ? -11.327 4.096 -14.113 1.0 3.25 ? 21 A 4 -ATOM 316 C CB . ASP A1 1 21 ? -11.871 4.391 -11.166 1.0 40.32 ? 21 A 4 -ATOM 317 C CG . ASP A1 1 21 ? -12.204 2.987 -11.633 1.0 70.32 ? 21 A 4 -ATOM 318 O OD1 . ASP A1 1 21 ? -13.365 2.754 -12.031 1.0 34.41 ? 21 A 4 -ATOM 319 O OD2 . ASP A1 1 21 ? -11.305 2.122 -11.601 1.0 4.34 ? 21 A 4 -ATOM 320 H H . ASP A1 1 21 ? -14.034 4.681 -12.541 1.0 61.24 ? 21 A 4 -ATOM 321 H HA . ASP A1 1 21 ? -11.815 6.408 -11.876 1.0 0.1 ? 21 A 4 -ATOM 322 H HB2 . ASP A1 1 21 ? -10.838 4.408 -10.849 1.0 73.15 ? 21 A 4 -ATOM 323 H HB3 . ASP A1 1 21 ? -12.505 4.632 -10.327 1.0 61.23 ? 21 A 4 -ATOM 324 N N . VAL A1 1 22 ? -10.227 6.02 -13.724 1.0 30.34 ? 22 A 4 -ATOM 325 C CA . VAL A1 1 22 ? -9.298 5.842 -14.833 1.0 1.34 ? 22 A 4 -ATOM 326 C C . VAL A1 1 22 ? -7.868 6.154 -14.409 1.0 61.2 ? 22 A 4 -ATOM 327 O O . VAL A1 1 22 ? -7.64 6.78 -13.373 1.0 34.03 ? 22 A 4 -ATOM 328 C CB . VAL A1 1 22 ? -9.675 6.737 -16.029 1.0 60.13 ? 22 A 4 -ATOM 329 C CG1 . VAL A1 1 22 ? -11.14 7.137 -15.957 1.0 14.0 ? 22 A 4 -ATOM 330 C CG2 . VAL A1 1 22 ? -8.779 7.966 -16.077 1.0 61.12 ? 22 A 4 -ATOM 331 H H . VAL A1 1 22 ? -10.153 6.82 -13.162 1.0 71.0 ? 22 A 4 -ATOM 332 H HA . VAL A1 1 22 ? -9.352 4.811 -15.151 1.0 41.13 ? 22 A 4 -ATOM 333 H HB . VAL A1 1 22 ? -9.523 6.172 -16.937 1.0 23.42 ? 22 A 4 -ATOM 334 H HG11 . VAL A1 1 22 ? -11.742 6.263 -15.758 1.0 3.13 ? 22 A 4 -ATOM 335 H HG12 . VAL A1 1 22 ? -11.278 7.859 -15.164 1.0 11.12 ? 22 A 4 -ATOM 336 H HG13 . VAL A1 1 22 ? -11.441 7.574 -16.898 1.0 2.3 ? 22 A 4 -ATOM 337 H HG21 . VAL A1 1 22 ? -7.786 7.676 -16.387 1.0 43.3 ? 22 A 4 -ATOM 338 H HG22 . VAL A1 1 22 ? -9.184 8.678 -16.781 1.0 71.52 ? 22 A 4 -ATOM 339 H HG23 . VAL A1 1 22 ? -8.733 8.416 -15.096 1.0 24.41 ? 22 A 4 -ATOM 340 N N . ASP A1 1 23 ? -6.908 5.715 -15.216 1.0 73.14 ? 23 A 4 -ATOM 341 C CA . ASP A1 1 23 ? -5.498 5.95 -14.925 1.0 0.33 ? 23 A 4 -ATOM 342 C C . ASP A1 1 23 ? -4.864 6.838 -15.99 1.0 62.12 ? 23 A 4 -ATOM 343 O O . ASP A1 1 23 ? -5.309 6.863 -17.138 1.0 35.34 ? 23 A 4 -ATOM 344 C CB . ASP A1 1 23 ? -4.746 4.621 -14.837 1.0 24.44 ? 23 A 4 -ATOM 345 C CG . ASP A1 1 23 ? -5.61 3.502 -14.287 1.0 11.25 ? 23 A 4 -ATOM 346 O OD1 . ASP A1 1 23 ? -6.152 3.664 -13.174 1.0 71.52 ? 23 A 4 -ATOM 347 O OD2 . ASP A1 1 23 ? -5.742 2.465 -14.97 1.0 54.12 ? 23 A 4 -ATOM 348 H H . ASP A1 1 23 ? -7.154 5.223 -16.027 1.0 71.31 ? 23 A 4 -ATOM 349 H HA . ASP A1 1 23 ? -5.436 6.452 -13.971 1.0 62.03 ? 23 A 4 -ATOM 350 H HB2 . ASP A1 1 23 ? -4.41 4.339 -15.824 1.0 75.32 ? 23 A 4 -ATOM 351 H HB3 . ASP A1 1 23 ? -3.89 4.742 -14.19 1.0 32.1 ? 23 A 4 -ATOM 352 N N . HIS A1 1 24 ? -3.822 7.567 -15.603 1.0 3.42 ? 24 A 4 -ATOM 353 C CA . HIS A1 1 24 ? -3.127 8.457 -16.525 1.0 64.1 ? 24 A 4 -ATOM 354 C C . HIS A1 1 24 ? -2.55 7.677 -17.702 1.0 13.22 ? 24 A 4 -ATOM 355 O O . HIS A1 1 24 ? -2.192 8.257 -18.727 1.0 40.32 ? 24 A 4 -ATOM 356 C CB . HIS A1 1 24 ? -2.009 9.207 -15.798 1.0 43.52 ? 24 A 4 -ATOM 357 C CG . HIS A1 1 24 ? -1.103 8.313 -15.009 1.0 63.23 ? 24 A 4 -ATOM 358 N ND1 . HIS A1 1 24 ? -0.088 7.575 -15.581 1.0 33.23 ? 24 A 4 -ATOM 359 C CD2 . HIS A1 1 24 ? -1.063 8.041 -13.684 1.0 70.35 ? 24 A 4 -ATOM 360 C CE1 . HIS A1 1 24 ? 0.536 6.887 -14.642 1.0 52.22 ? 24 A 4 -ATOM 361 N NE2 . HIS A1 1 24 ? -0.035 7.152 -13.482 1.0 51.1 ? 24 A 4 -ATOM 362 H H . HIS A1 1 24 ? -3.514 7.504 -14.675 1.0 35.01 ? 24 A 4 -ATOM 363 H HA . HIS A1 1 24 ? -3.843 9.172 -16.899 1.0 52.33 ? 24 A 4 -ATOM 364 H HB2 . HIS A1 1 24 ? -1.406 9.732 -16.524 1.0 74.33 ? 24 A 4 -ATOM 365 H HB3 . HIS A1 1 24 ? -2.448 9.921 -15.117 1.0 2.24 ? 24 A 4 -ATOM 366 H HD1 . HIS A1 1 24 ? 0.139 7.558 -16.534 1.0 61.24 ? 24 A 4 -ATOM 367 H HD2 . HIS A1 1 24 ? -1.717 8.447 -12.925 1.0 14.35 ? 24 A 4 -ATOM 368 H HE1 . HIS A1 1 24 ? 1.372 6.221 -14.797 1.0 73.24 ? 24 A 4 -ATOM 369 N N . ALA A1 1 25 ? -2.462 6.36 -17.547 1.0 63.43 ? 25 A 4 -ATOM 370 C CA . ALA A1 1 25 ? -1.931 5.501 -18.598 1.0 43.32 ? 25 A 4 -ATOM 371 C C . ALA A1 1 25 ? -3.023 5.098 -19.583 1.0 33.54 ? 25 A 4 -ATOM 372 O O . ALA A1 1 25 ? -2.8 4.269 -20.466 1.0 12.23 ? 25 A 4 -ATOM 373 C CB . ALA A1 1 25 ? -1.282 4.266 -17.992 1.0 51.34 ? 25 A 4 -ATOM 374 H H . ALA A1 1 25 ? -2.764 5.957 -16.707 1.0 55.41 ? 25 A 4 -ATOM 375 H HA . ALA A1 1 25 ? -1.168 6.055 -19.128 1.0 23.12 ? 25 A 4 -ATOM 376 H HB1 . ALA A1 1 25 ? -1.008 3.58 -18.78 1.0 42.21 ? 25 A 4 -ATOM 377 H HB2 . ALA A1 1 25 ? -0.398 4.556 -17.443 1.0 3.14 ? 25 A 4 -ATOM 378 H HB3 . ALA A1 1 25 ? -1.98 3.785 -17.323 1.0 44.44 ? 25 A 4 -ATOM 379 N N . ASP A1 1 26 ? -4.202 5.689 -19.425 1.0 53.31 ? 26 A 4 -ATOM 380 C CA . ASP A1 1 26 ? -5.329 5.391 -20.301 1.0 71.32 ? 26 A 4 -ATOM 381 C C . ASP A1 1 26 ? -5.487 6.47 -21.369 1.0 31.24 ? 26 A 4 -ATOM 382 O O . ASP A1 1 26 ? -4.614 7.321 -21.541 1.0 53.43 ? 26 A 4 -ATOM 383 C CB . ASP A1 1 26 ? -6.618 5.27 -19.487 1.0 21.1 ? 26 A 4 -ATOM 384 C CG . ASP A1 1 26 ? -6.574 4.118 -18.501 1.0 73.54 ? 26 A 4 -ATOM 385 O OD1 . ASP A1 1 26 ? -5.57 4.004 -17.766 1.0 73.22 ? 26 A 4 -ATOM 386 O OD2 . ASP A1 1 26 ? -7.543 3.332 -18.465 1.0 2.02 ? 26 A 4 -ATOM 387 H H . ASP A1 1 26 ? -4.317 6.341 -18.703 1.0 73.33 ? 26 A 4 -ATOM 388 H HA . ASP A1 1 26 ? -5.132 4.448 -20.788 1.0 35.3 ? 26 A 4 -ATOM 389 H HB2 . ASP A1 1 26 ? -6.775 6.185 -18.935 1.0 71.15 ? 26 A 4 -ATOM 390 H HB3 . ASP A1 1 26 ? -7.448 5.113 -20.159 1.0 51.4 ? 26 A 4 -ATOM 391 N N . THR A1 1 27 ? -6.607 6.427 -22.084 1.0 11.22 ? 27 A 4 -ATOM 392 C CA . THR A1 1 27 ? -6.879 7.399 -23.136 1.0 12.11 ? 27 A 4 -ATOM 393 C C . THR A1 1 27 ? -8.37 7.698 -23.236 1.0 24.55 ? 27 A 4 -ATOM 394 O O . THR A1 1 27 ? -9.2 6.948 -22.723 1.0 14.34 ? 27 A 4 -ATOM 395 C CB . THR A1 1 27 ? -6.374 6.902 -24.504 1.0 24.42 ? 27 A 4 -ATOM 396 O OG1 . THR A1 1 27 ? -6.34 5.47 -24.523 1.0 51.41 ? 27 A 4 -ATOM 397 C CG2 . THR A1 1 27 ? -4.987 7.451 -24.801 1.0 72.22 ? 27 A 4 -ATOM 398 H H . THR A1 1 27 ? -7.265 5.725 -21.899 1.0 1.33 ? 27 A 4 -ATOM 399 H HA . THR A1 1 27 ? -6.354 8.311 -22.892 1.0 54.42 ? 27 A 4 -ATOM 400 H HB . THR A1 1 27 ? -7.054 7.248 -25.269 1.0 51.23 ? 27 A 4 -ATOM 401 H HG1 . THR A1 1 27 ? -5.595 5.161 -24.002 1.0 23.44 ? 27 A 4 -ATOM 402 H HG21 . THR A1 1 27 ? -4.641 7.061 -25.746 1.0 20.21 ? 27 A 4 -ATOM 403 H HG22 . THR A1 1 27 ? -4.306 7.154 -24.017 1.0 40.31 ? 27 A 4 -ATOM 404 H HG23 . THR A1 1 27 ? -5.03 8.529 -24.851 1.0 53.14 ? 27 A 4 -ATOM 405 N N . VAL A1 1 28 ? -8.705 8.8 -23.9 1.0 70.04 ? 28 A 4 -ATOM 406 C CA . VAL A1 1 28 ? -10.098 9.198 -24.069 1.0 40.12 ? 28 A 4 -ATOM 407 C C . VAL A1 1 28 ? -10.922 8.069 -24.678 1.0 43.3 ? 28 A 4 -ATOM 408 O O . VAL A1 1 28 ? -11.996 7.733 -24.182 1.0 51.44 ? 28 A 4 -ATOM 409 C CB . VAL A1 1 28 ? -10.22 10.448 -24.961 1.0 70.14 ? 28 A 4 -ATOM 410 C CG1 . VAL A1 1 28 ? -11.641 10.99 -24.927 1.0 13.41 ? 28 A 4 -ATOM 411 C CG2 . VAL A1 1 28 ? -9.223 11.512 -24.526 1.0 73.55 ? 28 A 4 -ATOM 412 H H . VAL A1 1 28 ? -7.998 9.358 -24.287 1.0 50.23 ? 28 A 4 -ATOM 413 H HA . VAL A1 1 28 ? -10.497 9.437 -23.094 1.0 62.42 ? 28 A 4 -ATOM 414 H HB . VAL A1 1 28 ? -9.991 10.163 -25.977 1.0 52.41 ? 28 A 4 -ATOM 415 H HG11 . VAL A1 1 28 ? -11.796 11.533 -24.006 1.0 72.32 ? 28 A 4 -ATOM 416 H HG12 . VAL A1 1 28 ? -11.793 11.652 -25.767 1.0 75.12 ? 28 A 4 -ATOM 417 H HG13 . VAL A1 1 28 ? -12.341 10.17 -24.983 1.0 43.12 ? 28 A 4 -ATOM 418 H HG21 . VAL A1 1 28 ? -8.618 11.804 -25.371 1.0 22.23 ? 28 A 4 -ATOM 419 H HG22 . VAL A1 1 28 ? -9.757 12.371 -24.15 1.0 21.24 ? 28 A 4 -ATOM 420 H HG23 . VAL A1 1 28 ? -8.588 11.114 -23.748 1.0 51.43 ? 28 A 4 -ATOM 421 N N . GLY A1 1 29 ? -10.41 7.486 -25.758 1.0 51.02 ? 29 A 4 -ATOM 422 C CA . GLY A1 1 29 ? -11.111 6.401 -26.418 1.0 24.21 ? 29 A 4 -ATOM 423 C C . GLY A1 1 29 ? -11.527 5.308 -25.453 1.0 62.32 ? 29 A 4 -ATOM 424 O O . GLY A1 1 29 ? -12.684 4.887 -25.443 1.0 1.41 ? 29 A 4 -ATOM 425 H H . GLY A1 1 29 ? -9.549 7.796 -26.11 1.0 25.44 ? 29 A 4 -ATOM 426 H HA2 . GLY A1 1 29 ? -11.993 6.797 -26.9 1.0 33.14 ? 29 A 4 -ATOM 427 H HA3 . GLY A1 1 29 ? -10.464 5.974 -27.17 1.0 61.11 ? 29 A 4 -ATOM 428 N N . ALA A1 1 30 ? -10.582 4.847 -24.641 1.0 0.3 ? 30 A 4 -ATOM 429 C CA . ALA A1 1 30 ? -10.857 3.797 -23.668 1.0 24.42 ? 30 A 4 -ATOM 430 C C . ALA A1 1 30 ? -11.939 4.229 -22.684 1.0 23.15 ? 30 A 4 -ATOM 431 O O . ALA A1 1 30 ? -12.821 3.446 -22.332 1.0 23.32 ? 30 A 4 -ATOM 432 C CB . ALA A1 1 30 ? -9.584 3.421 -22.924 1.0 4.23 ? 30 A 4 -ATOM 433 H H . ALA A1 1 30 ? -9.679 5.223 -24.696 1.0 13.0 ? 30 A 4 -ATOM 434 H HA . ALA A1 1 30 ? -11.201 2.925 -24.206 1.0 42.35 ? 30 A 4 -ATOM 435 H HB1 . ALA A1 1 30 ? -9.352 2.382 -23.111 1.0 24.3 ? 30 A 4 -ATOM 436 H HB2 . ALA A1 1 30 ? -8.77 4.04 -23.269 1.0 15.25 ? 30 A 4 -ATOM 437 H HB3 . ALA A1 1 30 ? -9.729 3.572 -21.865 1.0 54.13 ? 30 A 4 -ATOM 438 N N . VAL A1 1 31 ? -11.865 5.481 -22.243 1.0 44.02 ? 31 A 4 -ATOM 439 C CA . VAL A1 1 31 ? -12.838 6.018 -21.3 1.0 44.43 ? 31 A 4 -ATOM 440 C C . VAL A1 1 31 ? -14.244 6.0 -21.89 1.0 22.33 ? 31 A 4 -ATOM 441 O O . VAL A1 1 31 ? -15.209 5.644 -21.215 1.0 41.34 ? 31 A 4 -ATOM 442 C CB . VAL A1 1 31 ? -12.485 7.459 -20.887 1.0 42.01 ? 31 A 4 -ATOM 443 C CG1 . VAL A1 1 31 ? -13.566 8.038 -19.988 1.0 61.22 ? 31 A 4 -ATOM 444 C CG2 . VAL A1 1 31 ? -11.129 7.498 -20.198 1.0 34.2 ? 31 A 4 -ATOM 445 H H . VAL A1 1 31 ? -11.139 6.057 -22.56 1.0 33.11 ? 31 A 4 -ATOM 446 H HA . VAL A1 1 31 ? -12.823 5.399 -20.415 1.0 53.53 ? 31 A 4 -ATOM 447 H HB . VAL A1 1 31 ? -12.429 8.064 -21.78 1.0 34.14 ? 31 A 4 -ATOM 448 H HG11 . VAL A1 1 31 ? -13.106 8.605 -19.192 1.0 24.43 ? 31 A 4 -ATOM 449 H HG12 . VAL A1 1 31 ? -14.209 8.684 -20.567 1.0 62.24 ? 31 A 4 -ATOM 450 H HG13 . VAL A1 1 31 ? -14.15 7.234 -19.564 1.0 4.44 ? 31 A 4 -ATOM 451 H HG21 . VAL A1 1 31 ? -10.881 6.513 -19.834 1.0 32.4 ? 31 A 4 -ATOM 452 H HG22 . VAL A1 1 31 ? -10.377 7.822 -20.903 1.0 31.51 ? 31 A 4 -ATOM 453 H HG23 . VAL A1 1 31 ? -11.166 8.19 -19.369 1.0 2.41 ? 31 A 4 -ATOM 454 N N . LYS A1 1 32 ? -14.352 6.387 -23.157 1.0 44.33 ? 32 A 4 -ATOM 455 C CA . LYS A1 1 32 ? -15.639 6.415 -23.842 1.0 33.41 ? 32 A 4 -ATOM 456 C C . LYS A1 1 32 ? -16.316 5.049 -23.783 1.0 33.52 ? 32 A 4 -ATOM 457 O O . LYS A1 1 32 ? -17.521 4.953 -23.553 1.0 55.22 ? 32 A 4 -ATOM 458 C CB . LYS A1 1 32 ? -15.455 6.842 -25.3 1.0 21.43 ? 32 A 4 -ATOM 459 C CG . LYS A1 1 32 ? -16.161 8.141 -25.647 1.0 62.04 ? 32 A 4 -ATOM 460 C CD . LYS A1 1 32 ? -15.201 9.319 -25.634 1.0 13.3 ? 32 A 4 -ATOM 461 C CE . LYS A1 1 32 ? -14.724 9.664 -27.036 1.0 61.02 ? 32 A 4 -ATOM 462 N NZ . LYS A1 1 32 ? -14.215 8.467 -27.759 1.0 10.13 ? 32 A 4 -ATOM 463 H H . LYS A1 1 32 ? -13.545 6.66 -23.644 1.0 0.43 ? 32 A 4 -ATOM 464 H HA . LYS A1 1 32 ? -16.266 7.136 -23.341 1.0 20.21 ? 32 A 4 -ATOM 465 H HB2 . LYS A1 1 32 ? -14.4 6.967 -25.495 1.0 31.13 ? 32 A 4 -ATOM 466 H HB3 . LYS A1 1 32 ? -15.842 6.064 -25.942 1.0 51.43 ? 32 A 4 -ATOM 467 H HG2 . LYS A1 1 32 ? -16.593 8.053 -26.633 1.0 34.55 ? 32 A 4 -ATOM 468 H HG3 . LYS A1 1 32 ? -16.945 8.318 -24.924 1.0 75.31 ? 32 A 4 -ATOM 469 H HD2 . LYS A1 1 32 ? -15.704 10.178 -25.215 1.0 62.53 ? 32 A 4 -ATOM 470 H HD3 . LYS A1 1 32 ? -14.345 9.067 -25.023 1.0 34.24 ? 32 A 4 -ATOM 471 H HE2 . LYS A1 1 32 ? -15.549 10.085 -27.59 1.0 32.35 ? 32 A 4 -ATOM 472 H HE3 . LYS A1 1 32 ? -13.931 10.394 -26.962 1.0 31.14 ? 32 A 4 -ATOM 473 H HZ1 . LYS A1 1 32 ? -13.661 7.868 -27.114 1.0 3.34 ? 32 A 4 -ATOM 474 H HZ2 . LYS A1 1 32 ? -13.606 8.76 -28.551 1.0 11.13 ? 32 A 4 -ATOM 475 H HZ3 . LYS A1 1 32 ? -15.009 7.912 -28.135 1.0 13.55 ? 32 A 4 -ATOM 476 N N . ALA A1 1 33 ? -15.533 3.996 -23.99 1.0 34.21 ? 33 A 4 -ATOM 477 C CA . ALA A1 1 33 ? -16.056 2.636 -23.956 1.0 60.31 ? 33 A 4 -ATOM 478 C C . ALA A1 1 33 ? -16.579 2.283 -22.568 1.0 31.03 ? 33 A 4 -ATOM 479 O O . ALA A1 1 33 ? -17.616 1.634 -22.43 1.0 31.32 ? 33 A 4 -ATOM 480 C CB . ALA A1 1 33 ? -14.984 1.647 -24.386 1.0 54.24 ? 33 A 4 -ATOM 481 H H . ALA A1 1 33 ? -14.58 4.137 -24.168 1.0 43.1 ? 33 A 4 -ATOM 482 H HA . ALA A1 1 33 ? -16.872 2.575 -24.663 1.0 53.01 ? 33 A 4 -ATOM 483 H HB1 . ALA A1 1 33 ? -14.07 1.85 -23.847 1.0 2.33 ? 33 A 4 -ATOM 484 H HB2 . ALA A1 1 33 ? -15.314 0.642 -24.17 1.0 61.23 ? 33 A 4 -ATOM 485 H HB3 . ALA A1 1 33 ? -14.806 1.747 -25.447 1.0 53.23 ? 33 A 4 -ATOM 486 N N . LYS A1 1 34 ? -15.854 2.714 -21.541 1.0 30.14 ? 34 A 4 -ATOM 487 C CA . LYS A1 1 34 ? -16.243 2.444 -20.162 1.0 3.41 ? 34 A 4 -ATOM 488 C C . LYS A1 1 34 ? -17.611 3.046 -19.856 1.0 51.04 ? 34 A 4 -ATOM 489 O O . LYS A1 1 34 ? -18.462 2.398 -19.245 1.0 30.3 ? 34 A 4 -ATOM 490 C CB . LYS A1 1 34 ? -15.199 3.007 -19.196 1.0 63.02 ? 34 A 4 -ATOM 491 C CG . LYS A1 1 34 ? -15.478 2.679 -17.739 1.0 24.43 ? 34 A 4 -ATOM 492 C CD . LYS A1 1 34 ? -15.405 1.183 -17.481 1.0 44.42 ? 34 A 4 -ATOM 493 C CE . LYS A1 1 34 ? -14.015 0.635 -17.763 1.0 34.12 ? 34 A 4 -ATOM 494 N NZ . LYS A1 1 34 ? -13.881 -0.785 -17.337 1.0 13.0 ? 34 A 4 -ATOM 495 H H . LYS A1 1 34 ? -15.037 3.227 -21.715 1.0 65.25 ? 34 A 4 -ATOM 496 H HA . LYS A1 1 34 ? -16.298 1.374 -20.036 1.0 3.22 ? 34 A 4 -ATOM 497 H HB2 . LYS A1 1 34 ? -14.231 2.603 -19.455 1.0 71.03 ? 34 A 4 -ATOM 498 H HB3 . LYS A1 1 34 ? -15.17 4.082 -19.302 1.0 71.12 ? 34 A 4 -ATOM 499 H HG2 . LYS A1 1 34 ? -14.746 3.176 -17.121 1.0 24.23 ? 34 A 4 -ATOM 500 H HG3 . LYS A1 1 34 ? -16.467 3.032 -17.484 1.0 22.21 ? 34 A 4 -ATOM 501 H HD2 . LYS A1 1 34 ? -15.652 0.992 -16.447 1.0 63.43 ? 34 A 4 -ATOM 502 H HD3 . LYS A1 1 34 ? -16.117 0.681 -18.121 1.0 75.33 ? 34 A 4 -ATOM 503 H HE2 . LYS A1 1 34 ? -13.823 0.704 -18.822 1.0 34.14 ? 34 A 4 -ATOM 504 H HE3 . LYS A1 1 34 ? -13.292 1.233 -17.227 1.0 0.12 ? 34 A 4 -ATOM 505 H HZ1 . LYS A1 1 34 ? -14.136 -0.884 -16.334 1.0 62.42 ? 34 A 4 -ATOM 506 H HZ2 . LYS A1 1 34 ? -12.9 -1.106 -17.468 1.0 14.2 ? 34 A 4 -ATOM 507 H HZ3 . LYS A1 1 34 ? -14.51 -1.389 -17.905 1.0 65.2 ? 34 A 4 -ATOM 508 N N . ILE A1 1 35 ? -17.816 4.287 -20.284 1.0 14.42 ? 35 A 4 -ATOM 509 C CA . ILE A1 1 35 ? -19.081 4.974 -20.057 1.0 22.32 ? 35 A 4 -ATOM 510 C C . ILE A1 1 35 ? -20.213 4.314 -20.838 1.0 74.31 ? 35 A 4 -ATOM 511 O O . ILE A1 1 35 ? -21.347 4.238 -20.364 1.0 33.23 ? 35 A 4 -ATOM 512 C CB . ILE A1 1 35 ? -18.995 6.459 -20.456 1.0 42.5 ? 35 A 4 -ATOM 513 C CG1 . ILE A1 1 35 ? -17.817 7.132 -19.749 1.0 22.04 ? 35 A 4 -ATOM 514 C CG2 . ILE A1 1 35 ? -20.297 7.173 -20.125 1.0 45.14 ? 35 A 4 -ATOM 515 C CD1 . ILE A1 1 35 ? -17.859 6.996 -18.243 1.0 11.1 ? 35 A 4 -ATOM 516 H H . ILE A1 1 35 ? -17.099 4.751 -20.765 1.0 54.44 ? 35 A 4 -ATOM 517 H HA . ILE A1 1 35 ? -19.306 4.918 -19.002 1.0 30.01 ? 35 A 4 -ATOM 518 H HB . ILE A1 1 35 ? -18.844 6.514 -21.523 1.0 2.44 ? 35 A 4 -ATOM 519 H HG12 . ILE A1 1 35 ? -16.897 6.69 -20.095 1.0 3.24 ? 35 A 4 -ATOM 520 H HG13 . ILE A1 1 35 ? -17.819 8.186 -19.988 1.0 0.11 ? 35 A 4 -ATOM 521 H HG21 . ILE A1 1 35 ? -21.127 6.616 -20.535 1.0 65.32 ? 35 A 4 -ATOM 522 H HG22 . ILE A1 1 35 ? -20.406 7.243 -19.053 1.0 43.1 ? 35 A 4 -ATOM 523 H HG23 . ILE A1 1 35 ? -20.283 8.164 -20.552 1.0 75.41 ? 35 A 4 -ATOM 524 H HD11 . ILE A1 1 35 ? -17.033 6.382 -17.914 1.0 43.52 ? 35 A 4 -ATOM 525 H HD12 . ILE A1 1 35 ? -17.783 7.974 -17.79 1.0 71.15 ? 35 A 4 -ATOM 526 H HD13 . ILE A1 1 35 ? -18.789 6.534 -17.948 1.0 74.3 ? 35 A 4 -ATOM 527 N N . TYR A1 1 36 ? -19.897 3.836 -22.036 1.0 62.53 ? 36 A 4 -ATOM 528 C CA . TYR A1 1 36 ? -20.887 3.182 -22.884 1.0 64.44 ? 36 A 4 -ATOM 529 C C . TYR A1 1 36 ? -21.531 2.004 -22.16 1.0 53.42 ? 36 A 4 -ATOM 530 O O . TYR A1 1 36 ? -22.75 1.836 -22.187 1.0 34.33 ? 36 A 4 -ATOM 531 C CB . TYR A1 1 36 ? -20.239 2.704 -24.185 1.0 74.42 ? 36 A 4 -ATOM 532 C CG . TYR A1 1 36 ? -20.606 1.285 -24.557 1.0 43.51 ? 36 A 4 -ATOM 533 C CD1 . TYR A1 1 36 ? -21.879 0.974 -25.019 1.0 62.31 ? 36 A 4 -ATOM 534 C CD2 . TYR A1 1 36 ? -19.68 0.255 -24.447 1.0 22.21 ? 36 A 4 -ATOM 535 C CE1 . TYR A1 1 36 ? -22.219 -0.321 -25.36 1.0 25.24 ? 36 A 4 -ATOM 536 C CE2 . TYR A1 1 36 ? -20.01 -1.042 -24.787 1.0 24.41 ? 36 A 4 -ATOM 537 C CZ . TYR A1 1 36 ? -21.281 -1.325 -25.243 1.0 51.0 ? 36 A 4 -ATOM 538 O OH . TYR A1 1 36 ? -21.614 -2.617 -25.581 1.0 31.41 ? 36 A 4 -ATOM 539 H H . TYR A1 1 36 ? -18.976 3.926 -22.36 1.0 42.53 ? 36 A 4 -ATOM 540 H HA . TYR A1 1 36 ? -21.652 3.907 -23.12 1.0 45.34 ? 36 A 4 -ATOM 541 H HB2 . TYR A1 1 36 ? -20.55 3.349 -24.992 1.0 32.41 ? 36 A 4 -ATOM 542 H HB3 . TYR A1 1 36 ? -19.165 2.754 -24.083 1.0 73.31 ? 36 A 4 -ATOM 543 H HD1 . TYR A1 1 36 ? -22.612 1.763 -25.11 1.0 14.41 ? 36 A 4 -ATOM 544 H HD2 . TYR A1 1 36 ? -18.685 0.481 -24.089 1.0 73.43 ? 36 A 4 -ATOM 545 H HE1 . TYR A1 1 36 ? -23.213 -0.543 -25.717 1.0 30.0 ? 36 A 4 -ATOM 546 H HE2 . TYR A1 1 36 ? -19.276 -1.829 -24.694 1.0 11.1 ? 36 A 4 -ATOM 547 H HH . TYR A1 1 36 ? -20.841 -3.066 -25.93 1.0 20.21 ? 36 A 4 -ATOM 548 N N . ASP A1 1 37 ? -20.703 1.192 -21.513 1.0 31.31 ? 37 A 4 -ATOM 549 C CA . ASP A1 1 37 ? -21.19 0.029 -20.779 1.0 4.3 ? 37 A 4 -ATOM 550 C C . ASP A1 1 37 ? -21.845 0.45 -19.467 1.0 30.32 ? 37 A 4 -ATOM 551 O O . ASP A1 1 37 ? -22.77 -0.203 -18.984 1.0 62.0 ? 37 A 4 -ATOM 552 C CB . ASP A1 1 37 ? -20.043 -0.943 -20.502 1.0 35.43 ? 37 A 4 -ATOM 553 C CG . ASP A1 1 37 ? -20.524 -2.369 -20.32 1.0 34.32 ? 37 A 4 -ATOM 554 O OD1 . ASP A1 1 37 ? -21.733 -2.561 -20.071 1.0 31.12 ? 37 A 4 -ATOM 555 O OD2 . ASP A1 1 37 ? -19.691 -3.294 -20.427 1.0 3.2 ? 37 A 4 -ATOM 556 H H . ASP A1 1 37 ? -19.741 1.379 -21.528 1.0 51.42 ? 37 A 4 -ATOM 557 H HA . ASP A1 1 37 ? -21.928 -0.465 -21.393 1.0 32.24 ? 37 A 4 -ATOM 558 H HB2 . ASP A1 1 37 ? -19.351 -0.92 -21.331 1.0 43.14 ? 37 A 4 -ATOM 559 H HB3 . ASP A1 1 37 ? -19.53 -0.637 -19.602 1.0 34.23 ? 37 A 4 -ATOM 560 N N . LYS A1 1 38 ? -21.358 1.546 -18.893 1.0 33.03 ? 38 A 4 -ATOM 561 C CA . LYS A1 1 38 ? -21.895 2.055 -17.637 1.0 33.5 ? 38 A 4 -ATOM 562 C C . LYS A1 1 38 ? -23.404 2.258 -17.733 1.0 62.1 ? 38 A 4 -ATOM 563 O O . LYS A1 1 38 ? -24.15 1.863 -16.837 1.0 13.24 ? 38 A 4 -ATOM 564 C CB . LYS A1 1 38 ? -21.215 3.375 -17.266 1.0 32.13 ? 38 A 4 -ATOM 565 C CG . LYS A1 1 38 ? -20.384 3.295 -15.997 1.0 11.13 ? 38 A 4 -ATOM 566 C CD . LYS A1 1 38 ? -18.926 2.995 -16.304 1.0 55.11 ? 38 A 4 -ATOM 567 C CE . LYS A1 1 38 ? -18.678 1.499 -16.426 1.0 12.13 ? 38 A 4 -ATOM 568 N NZ . LYS A1 1 38 ? -18.087 0.932 -15.182 1.0 62.42 ? 38 A 4 -ATOM 569 H H . LYS A1 1 38 ? -20.62 2.024 -19.327 1.0 40.1 ? 38 A 4 -ATOM 570 H HA . LYS A1 1 38 ? -21.69 1.325 -16.869 1.0 13.43 ? 38 A 4 -ATOM 571 H HB2 . LYS A1 1 38 ? -20.568 3.673 -18.078 1.0 53.44 ? 38 A 4 -ATOM 572 H HB3 . LYS A1 1 38 ? -21.975 4.13 -17.126 1.0 74.35 ? 38 A 4 -ATOM 573 H HG2 . LYS A1 1 38 ? -20.444 4.24 -15.478 1.0 72.35 ? 38 A 4 -ATOM 574 H HG3 . LYS A1 1 38 ? -20.778 2.51 -15.368 1.0 65.33 ? 38 A 4 -ATOM 575 H HD2 . LYS A1 1 38 ? -18.658 3.47 -17.236 1.0 31.44 ? 38 A 4 -ATOM 576 H HD3 . LYS A1 1 38 ? -18.311 3.39 -15.508 1.0 51.13 ? 38 A 4 -ATOM 577 H HE2 . LYS A1 1 38 ? -19.617 1.007 -16.625 1.0 72.24 ? 38 A 4 -ATOM 578 H HE3 . LYS A1 1 38 ? -18.0 1.326 -17.248 1.0 52.14 ? 38 A 4 -ATOM 579 H HZ1 . LYS A1 1 38 ? -17.541 0.075 -15.404 1.0 12.21 ? 38 A 4 -ATOM 580 H HZ2 . LYS A1 1 38 ? -18.841 0.686 -14.509 1.0 31.3 ? 38 A 4 -ATOM 581 H HZ3 . LYS A1 1 38 ? -17.455 1.628 -14.737 1.0 72.13 ? 38 A 4 -ATOM 582 N N . GLU A1 1 39 ? -23.846 2.874 -18.825 1.0 74.33 ? 39 A 4 -ATOM 583 C CA . GLU A1 1 39 ? -25.266 3.128 -19.036 1.0 31.43 ? 39 A 4 -ATOM 584 C C . GLU A1 1 39 ? -25.788 2.335 -20.231 1.0 55.55 ? 39 A 4 -ATOM 585 O O . GLU A1 1 39 ? -26.766 1.597 -20.121 1.0 44.25 ? 39 A 4 -ATOM 586 C CB . GLU A1 1 39 ? -25.513 4.622 -19.253 1.0 31.12 ? 39 A 4 -ATOM 587 C CG . GLU A1 1 39 ? -24.469 5.29 -20.132 1.0 22.34 ? 39 A 4 -ATOM 588 C CD . GLU A1 1 39 ? -24.592 6.801 -20.138 1.0 34.02 ? 39 A 4 -ATOM 589 O OE1 . GLU A1 1 39 ? -25.691 7.308 -19.825 1.0 60.52 ? 39 A 4 -ATOM 590 O OE2 . GLU A1 1 39 ? -23.592 7.478 -20.455 1.0 24.54 ? 39 A 4 -ATOM 591 H H . GLU A1 1 39 ? -23.202 3.165 -19.503 1.0 53.12 ? 39 A 4 -ATOM 592 H HA . GLU A1 1 39 ? -25.795 2.81 -18.15 1.0 24.23 ? 39 A 4 -ATOM 593 H HB2 . GLU A1 1 39 ? -26.48 4.751 -19.717 1.0 13.32 ? 39 A 4 -ATOM 594 H HB3 . GLU A1 1 39 ? -25.516 5.117 -18.293 1.0 53.15 ? 39 A 4 -ATOM 595 H HG2 . GLU A1 1 39 ? -23.488 5.026 -19.767 1.0 73.51 ? 39 A 4 -ATOM 596 H HG3 . GLU A1 1 39 ? -24.584 4.93 -21.143 1.0 55.55 ? 39 A 4 -ATOM 597 N N . GLY A1 1 40 ? -25.128 2.496 -21.374 1.0 41.31 ? 40 A 4 -ATOM 598 C CA . GLY A1 1 40 ? -25.54 1.791 -22.574 1.0 23.2 ? 40 A 4 -ATOM 599 C C . GLY A1 1 40 ? -25.79 2.727 -23.74 1.0 54.31 ? 40 A 4 -ATOM 600 O O . GLY A1 1 40 ? -26.825 2.641 -24.402 1.0 62.35 ? 40 A 4 -ATOM 601 H H . GLY A1 1 40 ? -24.356 3.098 -21.403 1.0 1.31 ? 40 A 4 -ATOM 602 H HA2 . GLY A1 1 40 ? -24.768 1.088 -22.849 1.0 42.33 ? 40 A 4 -ATOM 603 H HA3 . GLY A1 1 40 ? -26.449 1.246 -22.363 1.0 42.25 ? 40 A 4 -ATOM 604 N N . ILE A1 1 41 ? -24.842 3.623 -23.99 1.0 11.45 ? 41 A 4 -ATOM 605 C CA . ILE A1 1 41 ? -24.966 4.58 -25.083 1.0 13.21 ? 41 A 4 -ATOM 606 C C . ILE A1 1 41 ? -23.827 4.419 -26.085 1.0 73.14 ? 41 A 4 -ATOM 607 O O . ILE A1 1 41 ? -22.744 3.932 -25.759 1.0 54.03 ? 41 A 4 -ATOM 608 C CB . ILE A1 1 41 ? -24.978 6.03 -24.565 1.0 13.54 ? 41 A 4 -ATOM 609 C CG1 . ILE A1 1 41 ? -23.849 6.242 -23.553 1.0 35.25 ? 41 A 4 -ATOM 610 C CG2 . ILE A1 1 41 ? -26.325 6.357 -23.939 1.0 15.54 ? 41 A 4 -ATOM 611 C CD1 . ILE A1 1 41 ? -23.048 7.501 -23.798 1.0 51.21 ? 41 A 4 -ATOM 612 H H . ILE A1 1 41 ? -24.041 3.642 -23.427 1.0 10.31 ? 41 A 4 -ATOM 613 H HA . ILE A1 1 41 ? -25.903 4.391 -25.587 1.0 22.4 ? 41 A 4 -ATOM 614 H HB . ILE A1 1 41 ? -24.827 6.69 -25.405 1.0 2.22 ? 41 A 4 -ATOM 615 H HG12 . ILE A1 1 41 ? -24.269 6.304 -22.562 1.0 53.25 ? 41 A 4 -ATOM 616 H HG13 . ILE A1 1 41 ? -23.171 5.402 -23.6 1.0 73.21 ? 41 A 4 -ATOM 617 H HG21 . ILE A1 1 41 ? -26.313 7.372 -23.569 1.0 41.34 ? 41 A 4 -ATOM 618 H HG22 . ILE A1 1 41 ? -27.101 6.256 -24.683 1.0 35.01 ? 41 A 4 -ATOM 619 H HG23 . ILE A1 1 41 ? -26.518 5.678 -23.123 1.0 24.24 ? 41 A 4 -ATOM 620 H HD11 . ILE A1 1 41 ? -23.372 8.272 -23.114 1.0 13.35 ? 41 A 4 -ATOM 621 H HD12 . ILE A1 1 41 ? -21.999 7.298 -23.638 1.0 5.02 ? 41 A 4 -ATOM 622 H HD13 . ILE A1 1 41 ? -23.2 7.834 -24.813 1.0 73.01 ? 41 A 4 -ATOM 623 N N . PRO A1 1 42 ? -24.074 4.84 -27.334 1.0 42.01 ? 42 A 4 -ATOM 624 C CA . PRO A1 1 42 ? -23.081 4.756 -28.409 1.0 63.34 ? 42 A 4 -ATOM 625 C C . PRO A1 1 42 ? -21.923 5.727 -28.206 1.0 4.23 ? 42 A 4 -ATOM 626 O O . PRO A1 1 42 ? -22.096 6.946 -28.209 1.0 21.54 ? 42 A 4 -ATOM 627 C CB . PRO A1 1 42 ? -23.88 5.13 -29.66 1.0 63.45 ? 42 A 4 -ATOM 628 C CG . PRO A1 1 42 ? -25.002 5.969 -29.156 1.0 31.23 ? 42 A 4 -ATOM 629 C CD . PRO A1 1 42 ? -25.342 5.431 -27.794 1.0 52.22 ? 42 A 4 -ATOM 630 H HA . PRO A1 1 42 ? -22.694 3.753 -28.514 1.0 60.32 ? 42 A 4 -ATOM 631 H HB2 . PRO A1 1 42 ? -23.248 5.682 -30.342 1.0 50.23 ? 42 A 4 -ATOM 632 H HB3 . PRO A1 1 42 ? -24.242 4.234 -30.142 1.0 64.01 ? 42 A 4 -ATOM 633 H HG2 . PRO A1 1 42 ? -24.688 6.999 -29.085 1.0 0.11 ? 42 A 4 -ATOM 634 H HG3 . PRO A1 1 42 ? -25.852 5.88 -29.817 1.0 1.1 ? 42 A 4 -ATOM 635 H HD2 . PRO A1 1 42 ? -25.654 6.232 -27.139 1.0 11.32 ? 42 A 4 -ATOM 636 H HD3 . PRO A1 1 42 ? -26.114 4.679 -27.867 1.0 34.03 ? 42 A 4 -ATOM 637 N N . PRO A1 1 43 ? -20.713 5.177 -28.026 1.0 1.41 ? 43 A 4 -ATOM 638 C CA . PRO A1 1 43 ? -19.503 5.978 -27.819 1.0 62.53 ? 43 A 4 -ATOM 639 C C . PRO A1 1 43 ? -19.083 6.729 -29.078 1.0 21.35 ? 43 A 4 -ATOM 640 O O . PRO A1 1 43 ? -18.474 7.797 -29.001 1.0 73.42 ? 43 A 4 -ATOM 641 C CB . PRO A1 1 43 ? -18.448 4.935 -27.442 1.0 74.43 ? 43 A 4 -ATOM 642 C CG . PRO A1 1 43 ? -18.931 3.667 -28.057 1.0 42.11 ? 43 A 4 -ATOM 643 C CD . PRO A1 1 43 ? -20.433 3.732 -28.011 1.0 32.53 ? 43 A 4 -ATOM 644 H HA . PRO A1 1 43 ? -19.625 6.68 -27.007 1.0 3.1 ? 43 A 4 -ATOM 645 H HB2 . PRO A1 1 43 ? -17.488 5.229 -27.843 1.0 1.2 ? 43 A 4 -ATOM 646 H HB3 . PRO A1 1 43 ? -18.385 4.854 -26.367 1.0 52.2 ? 43 A 4 -ATOM 647 H HG2 . PRO A1 1 43 ? -18.59 3.601 -29.078 1.0 21.5 ? 43 A 4 -ATOM 648 H HG3 . PRO A1 1 43 ? -18.576 2.823 -27.484 1.0 41.32 ? 43 A 4 -ATOM 649 H HD2 . PRO A1 1 43 ? -20.858 3.248 -28.878 1.0 55.24 ? 43 A 4 -ATOM 650 H HD3 . PRO A1 1 43 ? -20.803 3.278 -27.104 1.0 31.14 ? 43 A 4 -ATOM 651 N N . ASP A1 1 44 ? -19.411 6.166 -30.235 1.0 54.12 ? 44 A 4 -ATOM 652 C CA . ASP A1 1 44 ? -19.069 6.783 -31.511 1.0 51.34 ? 44 A 4 -ATOM 653 C C . ASP A1 1 44 ? -20.02 7.932 -31.831 1.0 65.34 ? 44 A 4 -ATOM 654 O O . ASP A1 1 44 ? -19.737 8.762 -32.695 1.0 41.23 ? 44 A 4 -ATOM 655 C CB . ASP A1 1 44 ? -19.109 5.744 -32.632 1.0 23.35 ? 44 A 4 -ATOM 656 C CG . ASP A1 1 44 ? -18.421 6.226 -33.894 1.0 52.14 ? 44 A 4 -ATOM 657 O OD1 . ASP A1 1 44 ? -17.204 6.498 -33.839 1.0 70.43 ? 44 A 4 -ATOM 658 O OD2 . ASP A1 1 44 ? -19.1 6.333 -34.937 1.0 15.14 ? 44 A 4 -ATOM 659 H H . ASP A1 1 44 ? -19.896 5.314 -30.231 1.0 64.31 ? 44 A 4 -ATOM 660 H HA . ASP A1 1 44 ? -18.066 7.175 -31.432 1.0 72.42 ? 44 A 4 -ATOM 661 H HB2 . ASP A1 1 44 ? -18.616 4.843 -32.298 1.0 64.21 ? 44 A 4 -ATOM 662 H HB3 . ASP A1 1 44 ? -20.139 5.519 -32.869 1.0 74.33 ? 44 A 4 -ATOM 663 N N . GLN A1 1 45 ? -21.149 7.972 -31.13 1.0 24.51 ? 45 A 4 -ATOM 664 C CA . GLN A1 1 45 ? -22.142 9.018 -31.341 1.0 55.1 ? 45 A 4 -ATOM 665 C C . GLN A1 1 45 ? -22.03 10.1 -30.272 1.0 65.33 ? 45 A 4 -ATOM 666 O O . GLN A1 1 45 ? -22.618 11.174 -30.399 1.0 0.12 ? 45 A 4 -ATOM 667 C CB . GLN A1 1 45 ? -23.551 8.422 -31.334 1.0 3.33 ? 45 A 4 -ATOM 668 C CG . GLN A1 1 45 ? -23.995 7.895 -32.689 1.0 71.05 ? 45 A 4 -ATOM 669 C CD . GLN A1 1 45 ? -24.896 6.68 -32.576 1.0 50.21 ? 45 A 4 -ATOM 670 O OE1 . GLN A1 1 45 ? -25.997 6.759 -32.03 1.0 30.33 ? 45 A 4 -ATOM 671 N NE2 . GLN A1 1 45 ? -24.432 5.549 -33.093 1.0 54.11 ? 45 A 4 -ATOM 672 H H . GLN A1 1 45 ? -21.317 7.282 -30.456 1.0 33.14 ? 45 A 4 -ATOM 673 H HA . GLN A1 1 45 ? -21.955 9.463 -32.307 1.0 54.13 ? 45 A 4 -ATOM 674 H HB2 . GLN A1 1 45 ? -23.58 7.607 -30.627 1.0 72.22 ? 45 A 4 -ATOM 675 H HB3 . GLN A1 1 45 ? -24.25 9.184 -31.023 1.0 51.24 ? 45 A 4 -ATOM 676 H HG2 . GLN A1 1 45 ? -24.533 8.675 -33.207 1.0 11.31 ? 45 A 4 -ATOM 677 H HG3 . GLN A1 1 45 ? -23.119 7.623 -33.26 1.0 33.23 ? 45 A 4 -ATOM 678 H HE21 . GLN A1 1 45 ? -23.545 5.561 -33.512 1.0 35.4 ? 45 A 4 -ATOM 679 H HE22 . GLN A1 1 45 ? -24.993 4.748 -33.033 1.0 53.4 ? 45 A 4 -ATOM 680 N N . GLN A1 1 46 ? -21.272 9.808 -29.22 1.0 5.34 ? 46 A 4 -ATOM 681 C CA . GLN A1 1 46 ? -21.084 10.757 -28.128 1.0 54.21 ? 46 A 4 -ATOM 682 C C . GLN A1 1 46 ? -19.697 11.387 -28.188 1.0 23.33 ? 46 A 4 -ATOM 683 O O . GLN A1 1 46 ? -18.749 10.781 -28.688 1.0 42.0 ? 46 A 4 -ATOM 684 C CB . GLN A1 1 46 ? -21.284 10.061 -26.781 1.0 54.1 ? 46 A 4 -ATOM 685 C CG . GLN A1 1 46 ? -20.185 9.067 -26.44 1.0 63.33 ? 46 A 4 -ATOM 686 C CD . GLN A1 1 46 ? -19.279 9.557 -25.328 1.0 73.34 ? 46 A 4 -ATOM 687 O OE1 . GLN A1 1 46 ? -18.297 10.258 -25.575 1.0 62.34 ? 46 A 4 -ATOM 688 N NE2 . GLN A1 1 46 ? -19.604 9.189 -24.094 1.0 52.51 ? 46 A 4 -ATOM 689 H H . GLN A1 1 46 ? -20.829 8.936 -29.177 1.0 61.13 ? 46 A 4 -ATOM 690 H HA . GLN A1 1 46 ? -21.824 11.535 -28.235 1.0 1.54 ? 46 A 4 -ATOM 691 H HB2 . GLN A1 1 46 ? -21.315 10.81 -26.004 1.0 70.34 ? 46 A 4 -ATOM 692 H HB3 . GLN A1 1 46 ? -22.225 9.532 -26.798 1.0 24.41 ? 46 A 4 -ATOM 693 H HG2 . GLN A1 1 46 ? -20.641 8.139 -26.129 1.0 71.34 ? 46 A 4 -ATOM 694 H HG3 . GLN A1 1 46 ? -19.587 8.895 -27.323 1.0 12.44 ? 46 A 4 -ATOM 695 H HE21 . GLN A1 1 46 ? -20.399 8.629 -23.973 1.0 61.21 ? 46 A 4 -ATOM 696 H HE22 . GLN A1 1 46 ? -19.035 9.491 -23.356 1.0 54.41 ? 46 A 4 -ATOM 697 N N . ARG A1 1 47 ? -19.584 12.608 -27.675 1.0 11.31 ? 47 A 4 -ATOM 698 C CA . ARG A1 1 47 ? -18.313 13.321 -27.671 1.0 74.42 ? 47 A 4 -ATOM 699 C C . ARG A1 1 47 ? -18.119 14.081 -26.362 1.0 0.05 ? 47 A 4 -ATOM 700 O O . ARG A1 1 47 ? -19.084 14.379 -25.656 1.0 62.43 ? 47 A 4 -ATOM 701 C CB . ARG A1 1 47 ? -18.245 14.292 -28.851 1.0 53.24 ? 47 A 4 -ATOM 702 C CG . ARG A1 1 47 ? -18.208 13.603 -30.205 1.0 25.13 ? 47 A 4 -ATOM 703 C CD . ARG A1 1 47 ? -16.788 13.233 -30.604 1.0 74.31 ? 47 A 4 -ATOM 704 N NE . ARG A1 1 47 ? -16.318 14.014 -31.744 1.0 72.02 ? 47 A 4 -ATOM 705 C CZ . ARG A1 1 47 ? -15.255 13.687 -32.471 1.0 4.33 ? 47 A 4 -ATOM 706 N NH1 . ARG A1 1 47 ? -14.556 12.6 -32.178 1.0 22.33 ? 47 A 4 -ATOM 707 N NH2 . ARG A1 1 47 ? -14.89 14.449 -33.495 1.0 24.44 ? 47 A 4 -ATOM 708 H H . ARG A1 1 47 ? -20.376 13.04 -27.29 1.0 14.32 ? 47 A 4 -ATOM 709 H HA . ARG A1 1 47 ? -17.523 12.592 -27.77 1.0 52.1 ? 47 A 4 -ATOM 710 H HB2 . ARG A1 1 47 ? -19.112 14.936 -28.823 1.0 12.43 ? 47 A 4 -ATOM 711 H HB3 . ARG A1 1 47 ? -17.355 14.896 -28.754 1.0 31.22 ? 47 A 4 -ATOM 712 H HG2 . ARG A1 1 47 ? -18.803 12.703 -30.157 1.0 2.15 ? 47 A 4 -ATOM 713 H HG3 . ARG A1 1 47 ? -18.62 14.269 -30.949 1.0 3.22 ? 47 A 4 -ATOM 714 H HD2 . ARG A1 1 47 ? -16.134 13.412 -29.763 1.0 62.34 ? 47 A 4 -ATOM 715 H HD3 . ARG A1 1 47 ? -16.763 12.185 -30.862 1.0 4.32 ? 47 A 4 -ATOM 716 H HE . ARG A1 1 47 ? -16.82 14.822 -31.979 1.0 51.12 ? 47 A 4 -ATOM 717 H HH11 . ARG A1 1 47 ? -14.83 12.023 -31.408 1.0 35.02 ? 47 A 4 -ATOM 718 H HH12 . ARG A1 1 47 ? -13.757 12.355 -32.728 1.0 42.25 ? 47 A 4 -ATOM 719 H HH21 . ARG A1 1 47 ? -15.415 15.27 -33.719 1.0 32.54 ? 47 A 4 -ATOM 720 H HH22 . ARG A1 1 47 ? -14.091 14.203 -34.041 1.0 51.04 ? 47 A 4 -ATOM 721 N N . LEU A1 1 48 ? -16.868 14.391 -26.043 1.0 13.42 ? 48 A 4 -ATOM 722 C CA . LEU A1 1 48 ? -16.547 15.115 -24.818 1.0 63.04 ? 48 A 4 -ATOM 723 C C . LEU A1 1 48 ? -16.193 16.568 -25.122 1.0 70.54 ? 48 A 4 -ATOM 724 O O . LEU A1 1 48 ? -15.644 16.875 -26.18 1.0 13.22 ? 48 A 4 -ATOM 725 C CB . LEU A1 1 48 ? -15.385 14.437 -24.09 1.0 73.22 ? 48 A 4 -ATOM 726 C CG . LEU A1 1 48 ? -15.312 12.915 -24.215 1.0 23.01 ? 48 A 4 -ATOM 727 C CD1 . LEU A1 1 48 ? -16.7 12.303 -24.105 1.0 2.23 ? 48 A 4 -ATOM 728 C CD2 . LEU A1 1 48 ? -14.655 12.519 -25.53 1.0 62.5 ? 48 A 4 -ATOM 729 H H . LEU A1 1 48 ? -16.141 14.127 -26.645 1.0 13.1 ? 48 A 4 -ATOM 730 H HA . LEU A1 1 48 ? -17.42 15.095 -24.183 1.0 5.14 ? 48 A 4 -ATOM 731 H HB2 . LEU A1 1 48 ? -14.466 14.845 -24.482 1.0 14.35 ? 48 A 4 -ATOM 732 H HB3 . LEU A1 1 48 ? -15.467 14.68 -23.04 1.0 62.22 ? 48 A 4 -ATOM 733 H HG . LEU A1 1 48 ? -14.71 12.522 -23.408 1.0 74.12 ? 48 A 4 -ATOM 734 H HD11 . LEU A1 1 48 ? -17.107 12.153 -25.094 1.0 72.12 ? 48 A 4 -ATOM 735 H HD12 . LEU A1 1 48 ? -17.343 12.968 -23.548 1.0 51.52 ? 48 A 4 -ATOM 736 H HD13 . LEU A1 1 48 ? -16.635 11.353 -23.594 1.0 50.13 ? 48 A 4 -ATOM 737 H HD21 . LEU A1 1 48 ? -14.084 11.613 -25.388 1.0 32.51 ? 48 A 4 -ATOM 738 H HD22 . LEU A1 1 48 ? -13.998 13.311 -25.856 1.0 4.35 ? 48 A 4 -ATOM 739 H HD23 . LEU A1 1 48 ? -15.417 12.352 -26.277 1.0 44.23 ? 48 A 4 -ATOM 740 N N . ILE A1 1 49 ? -16.509 17.456 -24.186 1.0 13.31 ? 49 A 4 -ATOM 741 C CA . ILE A1 1 49 ? -16.222 18.876 -24.352 1.0 13.25 ? 49 A 4 -ATOM 742 C C . ILE A1 1 49 ? -15.733 19.494 -23.047 1.0 73.24 ? 49 A 4 -ATOM 743 O O . ILE A1 1 49 ? -16.38 19.369 -22.007 1.0 20.41 ? 49 A 4 -ATOM 744 C CB . ILE A1 1 49 ? -17.461 19.648 -24.84 1.0 42.12 ? 49 A 4 -ATOM 745 C CG1 . ILE A1 1 49 ? -17.645 19.461 -26.348 1.0 21.4 ? 49 A 4 -ATOM 746 C CG2 . ILE A1 1 49 ? -17.335 21.124 -24.496 1.0 44.11 ? 49 A 4 -ATOM 747 C CD1 . ILE A1 1 49 ? -18.961 18.816 -26.721 1.0 30.32 ? 49 A 4 -ATOM 748 H H . ILE A1 1 49 ? -16.946 17.15 -23.364 1.0 11.12 ? 49 A 4 -ATOM 749 H HA . ILE A1 1 49 ? -15.445 18.973 -25.097 1.0 31.54 ? 49 A 4 -ATOM 750 H HB . ILE A1 1 49 ? -18.327 19.256 -24.328 1.0 10.22 ? 49 A 4 -ATOM 751 H HG12 . ILE A1 1 49 ? -17.599 20.423 -26.832 1.0 52.53 ? 49 A 4 -ATOM 752 H HG13 . ILE A1 1 49 ? -16.849 18.834 -26.724 1.0 23.14 ? 49 A 4 -ATOM 753 H HG21 . ILE A1 1 49 ? -16.297 21.417 -24.543 1.0 54.41 ? 49 A 4 -ATOM 754 H HG22 . ILE A1 1 49 ? -17.905 21.708 -25.203 1.0 2.4 ? 49 A 4 -ATOM 755 H HG23 . ILE A1 1 49 ? -17.713 21.295 -23.499 1.0 53.42 ? 49 A 4 -ATOM 756 H HD11 . ILE A1 1 49 ? -19.666 19.58 -27.016 1.0 43.14 ? 49 A 4 -ATOM 757 H HD12 . ILE A1 1 49 ? -18.808 18.133 -27.543 1.0 61.33 ? 49 A 4 -ATOM 758 H HD13 . ILE A1 1 49 ? -19.352 18.276 -25.871 1.0 3.14 ? 49 A 4 -ATOM 759 N N . PHE A1 1 50 ? -14.586 20.164 -23.109 1.0 0.44 ? 50 A 4 -ATOM 760 C CA . PHE A1 1 50 ? -14.01 20.803 -21.931 1.0 63.4 ? 50 A 4 -ATOM 761 C C . PHE A1 1 50 ? -13.897 22.311 -22.133 1.0 34.31 ? 50 A 4 -ATOM 762 O O . PHE A1 1 50 ? -13.071 22.784 -22.912 1.0 24.03 ? 50 A 4 -ATOM 763 C CB . PHE A1 1 50 ? -12.632 20.213 -21.627 1.0 1.31 ? 50 A 4 -ATOM 764 C CG . PHE A1 1 50 ? -11.931 20.886 -20.482 1.0 63.44 ? 50 A 4 -ATOM 765 C CD1 . PHE A1 1 50 ? -12.125 20.45 -19.181 1.0 63.22 ? 50 A 4 -ATOM 766 C CD2 . PHE A1 1 50 ? -11.077 21.954 -20.706 1.0 31.12 ? 50 A 4 -ATOM 767 C CE1 . PHE A1 1 50 ? -11.482 21.068 -18.126 1.0 44.05 ? 50 A 4 -ATOM 768 C CE2 . PHE A1 1 50 ? -10.431 22.576 -19.655 1.0 53.14 ? 50 A 4 -ATOM 769 C CZ . PHE A1 1 50 ? -10.633 22.132 -18.363 1.0 64.24 ? 50 A 4 -ATOM 770 H H . PHE A1 1 50 ? -14.116 20.229 -23.966 1.0 32.43 ? 50 A 4 -ATOM 771 H HA . PHE A1 1 50 ? -14.667 20.612 -21.097 1.0 55.42 ? 50 A 4 -ATOM 772 H HB2 . PHE A1 1 50 ? -12.742 19.168 -21.38 1.0 72.21 ? 50 A 4 -ATOM 773 H HB3 . PHE A1 1 50 ? -12.007 20.307 -22.502 1.0 52.42 ? 50 A 4 -ATOM 774 H HD1 . PHE A1 1 50 ? -12.788 19.618 -18.994 1.0 64.41 ? 50 A 4 -ATOM 775 H HD2 . PHE A1 1 50 ? -10.918 22.302 -21.717 1.0 25.0 ? 50 A 4 -ATOM 776 H HE1 . PHE A1 1 50 ? -11.642 20.719 -17.116 1.0 33.34 ? 50 A 4 -ATOM 777 H HE2 . PHE A1 1 50 ? -9.768 23.407 -19.844 1.0 34.14 ? 50 A 4 -ATOM 778 H HZ . PHE A1 1 50 ? -10.13 22.616 -17.54 1.0 42.2 ? 50 A 4 -ATOM 779 N N . GLY A1 1 51 ? -14.735 23.062 -21.423 1.0 53.44 ? 51 A 4 -ATOM 780 C CA . GLY A1 1 51 ? -14.713 24.509 -21.538 1.0 33.5 ? 51 A 4 -ATOM 781 C C . GLY A1 1 51 ? -15.317 24.996 -22.84 1.0 34.32 ? 51 A 4 -ATOM 782 O O . GLY A1 1 51 ? -15.428 26.199 -23.07 1.0 0.02 ? 51 A 4 -ATOM 783 H H . GLY A1 1 51 ? -15.372 22.63 -20.817 1.0 14.34 ? 51 A 4 -ATOM 784 H HA2 . GLY A1 1 51 ? -15.269 24.932 -20.715 1.0 71.3 ? 51 A 4 -ATOM 785 H HA3 . GLY A1 1 51 ? -13.689 24.848 -21.481 1.0 2.33 ? 51 A 4 -ATOM 786 N N . GLY A1 1 52 ? -15.708 24.057 -23.698 1.0 51.33 ? 52 A 4 -ATOM 787 C CA . GLY A1 1 52 ? -16.298 24.417 -24.974 1.0 70.11 ? 52 A 4 -ATOM 788 C C . GLY A1 1 52 ? -15.65 23.692 -26.137 1.0 64.35 ? 52 A 4 -ATOM 789 O O . GLY A1 1 52 ? -16.268 23.508 -27.186 1.0 21.12 ? 52 A 4 -ATOM 790 H H . GLY A1 1 52 ? -15.596 23.113 -23.461 1.0 52.33 ? 52 A 4 -ATOM 791 H HA2 . GLY A1 1 52 ? -17.35 24.176 -24.953 1.0 34.31 ? 52 A 4 -ATOM 792 H HA3 . GLY A1 1 52 ? -16.186 25.481 -25.122 1.0 33.12 ? 52 A 4 -ATOM 793 N N . LYS A1 1 53 ? -14.401 23.279 -25.953 1.0 4.12 ? 53 A 4 -ATOM 794 C CA . LYS A1 1 53 ? -13.667 22.57 -26.994 1.0 20.15 ? 53 A 4 -ATOM 795 C C . LYS A1 1 53 ? -13.81 21.06 -26.828 1.0 12.34 ? 53 A 4 -ATOM 796 O O . LYS A1 1 53 ? -13.89 20.556 -25.709 1.0 53.3 ? 53 A 4 -ATOM 797 C CB . LYS A1 1 53 ? -12.188 22.96 -26.961 1.0 12.13 ? 53 A 4 -ATOM 798 C CG . LYS A1 1 53 ? -11.511 22.667 -25.634 1.0 34.42 ? 53 A 4 -ATOM 799 C CD . LYS A1 1 53 ? -10.866 21.292 -25.629 1.0 44.0 ? 53 A 4 -ATOM 800 C CE . LYS A1 1 53 ? -9.75 21.196 -26.658 1.0 75.53 ? 53 A 4 -ATOM 801 N NZ . LYS A1 1 53 ? -8.517 20.588 -26.084 1.0 61.53 ? 53 A 4 -ATOM 802 H H . LYS A1 1 53 ? -13.961 23.455 -25.094 1.0 32.12 ? 53 A 4 -ATOM 803 H HA . LYS A1 1 53 ? -14.085 22.856 -27.948 1.0 74.23 ? 53 A 4 -ATOM 804 H HB2 . LYS A1 1 53 ? -11.667 22.416 -27.735 1.0 34.02 ? 53 A 4 -ATOM 805 H HB3 . LYS A1 1 53 ? -12.103 24.019 -27.159 1.0 32.22 ? 53 A 4 -ATOM 806 H HG2 . LYS A1 1 53 ? -10.749 23.411 -25.456 1.0 24.24 ? 53 A 4 -ATOM 807 H HG3 . LYS A1 1 53 ? -12.25 22.711 -24.846 1.0 53.0 ? 53 A 4 -ATOM 808 H HD2 . LYS A1 1 53 ? -10.454 21.1 -24.649 1.0 22.42 ? 53 A 4 -ATOM 809 H HD3 . LYS A1 1 53 ? -11.618 20.549 -25.856 1.0 0.05 ? 53 A 4 -ATOM 810 H HE2 . LYS A1 1 53 ? -10.089 20.589 -27.483 1.0 25.2 ? 53 A 4 -ATOM 811 H HE3 . LYS A1 1 53 ? -9.519 22.189 -27.013 1.0 75.24 ? 53 A 4 -ATOM 812 H HZ1 . LYS A1 1 53 ? -8.493 20.733 -25.055 1.0 1.33 ? 53 A 4 -ATOM 813 H HZ2 . LYS A1 1 53 ? -7.673 21.027 -26.505 1.0 14.14 ? 53 A 4 -ATOM 814 H HZ3 . LYS A1 1 53 ? -8.497 19.567 -26.281 1.0 31.25 ? 53 A 4 -ATOM 815 N N . GLN A1 1 54 ? -13.839 20.346 -27.949 1.0 32.1 ? 54 A 4 -ATOM 816 C CA . GLN A1 1 54 ? -13.971 18.894 -27.925 1.0 3.14 ? 54 A 4 -ATOM 817 C C . GLN A1 1 54 ? -12.681 18.238 -27.442 1.0 14.5 ? 54 A 4 -ATOM 818 O O . GLN A1 1 54 ? -11.621 18.865 -27.427 1.0 22.04 ? 54 A 4 -ATOM 819 C CB . GLN A1 1 54 ? -14.332 18.371 -29.317 1.0 14.03 ? 54 A 4 -ATOM 820 C CG . GLN A1 1 54 ? -15.818 18.111 -29.502 1.0 52.41 ? 54 A 4 -ATOM 821 C CD . GLN A1 1 54 ? -16.553 19.307 -30.075 1.0 44.23 ? 54 A 4 -ATOM 822 O OE1 . GLN A1 1 54 ? -16.332 20.444 -29.658 1.0 25.33 ? 54 A 4 -ATOM 823 N NE2 . GLN A1 1 54 ? -17.434 19.056 -31.036 1.0 63.1 ? 54 A 4 -ATOM 824 H H . GLN A1 1 54 ? -13.771 20.806 -28.811 1.0 52.11 ? 54 A 4 -ATOM 825 H HA . GLN A1 1 54 ? -14.766 18.645 -27.239 1.0 62.04 ? 54 A 4 -ATOM 826 H HB2 . GLN A1 1 54 ? -14.021 19.097 -30.053 1.0 31.24 ? 54 A 4 -ATOM 827 H HB3 . GLN A1 1 54 ? -13.803 17.446 -29.489 1.0 25.42 ? 54 A 4 -ATOM 828 H HG2 . GLN A1 1 54 ? -15.944 17.276 -30.174 1.0 52.11 ? 54 A 4 -ATOM 829 H HG3 . GLN A1 1 54 ? -16.25 17.868 -28.542 1.0 53.52 ? 54 A 4 -ATOM 830 H HE21 . GLN A1 1 54 ? -17.56 18.125 -31.316 1.0 45.55 ? 54 A 4 -ATOM 831 H HE22 . GLN A1 1 54 ? -17.924 19.81 -31.423 1.0 62.42 ? 54 A 4 -ATOM 832 N N . LEU A1 1 55 ? -12.779 16.974 -27.047 1.0 51.34 ? 55 A 4 -ATOM 833 C CA . LEU A1 1 55 ? -11.62 16.232 -26.562 1.0 40.45 ? 55 A 4 -ATOM 834 C C . LEU A1 1 55 ? -11.259 15.1 -27.519 1.0 63.5 ? 55 A 4 -ATOM 835 O O . LEU A1 1 55 ? -12.096 14.259 -27.843 1.0 52.11 ? 55 A 4 -ATOM 836 C CB . LEU A1 1 55 ? -11.897 15.668 -25.168 1.0 25.03 ? 55 A 4 -ATOM 837 C CG . LEU A1 1 55 ? -12.366 16.676 -24.117 1.0 41.33 ? 55 A 4 -ATOM 838 C CD1 . LEU A1 1 55 ? -12.451 16.019 -22.748 1.0 33.24 ? 55 A 4 -ATOM 839 C CD2 . LEU A1 1 55 ? -11.434 17.878 -24.077 1.0 52.23 ? 55 A 4 -ATOM 840 H H . LEU A1 1 55 ? -13.65 16.527 -27.082 1.0 12.34 ? 55 A 4 -ATOM 841 H HA . LEU A1 1 55 ? -10.788 16.918 -26.505 1.0 22.21 ? 55 A 4 -ATOM 842 H HB2 . LEU A1 1 55 ? -12.66 14.911 -25.263 1.0 55.1 ? 55 A 4 -ATOM 843 H HB3 . LEU A1 1 55 ? -10.985 15.214 -24.808 1.0 51.11 ? 55 A 4 -ATOM 844 H HG . LEU A1 1 55 ? -13.355 17.027 -24.381 1.0 72.12 ? 55 A 4 -ATOM 845 H HD11 . LEU A1 1 55 ? -11.695 15.253 -22.669 1.0 32.04 ? 55 A 4 -ATOM 846 H HD12 . LEU A1 1 55 ? -13.428 15.575 -22.622 1.0 44.35 ? 55 A 4 -ATOM 847 H HD13 . LEU A1 1 55 ? -12.293 16.763 -21.982 1.0 32.21 ? 55 A 4 -ATOM 848 H HD21 . LEU A1 1 55 ? -11.918 18.724 -24.541 1.0 33.14 ? 55 A 4 -ATOM 849 H HD22 . LEU A1 1 55 ? -10.525 17.645 -24.612 1.0 72.01 ? 55 A 4 -ATOM 850 H HD23 . LEU A1 1 55 ? -11.197 18.115 -23.05 1.0 74.33 ? 55 A 4 -ATOM 851 N N . GLU A1 1 56 ? -10.007 15.085 -27.965 1.0 12.02 ? 56 A 4 -ATOM 852 C CA . GLU A1 1 56 ? -9.536 14.055 -28.883 1.0 31.33 ? 56 A 4 -ATOM 853 C C . GLU A1 1 56 ? -9.518 12.688 -28.204 1.0 62.51 ? 56 A 4 -ATOM 854 O O . GLU A1 1 56 ? -9.964 12.543 -27.066 1.0 51.02 ? 56 A 4 -ATOM 855 C CB . GLU A1 1 56 ? -8.136 14.399 -29.396 1.0 62.01 ? 56 A 4 -ATOM 856 C CG . GLU A1 1 56 ? -8.036 14.439 -30.912 1.0 21.02 ? 56 A 4 -ATOM 857 C CD . GLU A1 1 56 ? -8.877 15.542 -31.523 1.0 1.0 ? 56 A 4 -ATOM 858 O OE1 . GLU A1 1 56 ? -9.288 16.457 -30.778 1.0 61.34 ? 56 A 4 -ATOM 859 O OE2 . GLU A1 1 56 ? -9.125 15.492 -32.746 1.0 22.01 ? 56 A 4 -ATOM 860 H H . GLU A1 1 56 ? -9.386 15.784 -27.67 1.0 72.43 ? 56 A 4 -ATOM 861 H HA . GLU A1 1 56 ? -10.217 14.019 -29.719 1.0 4.21 ? 56 A 4 -ATOM 862 H HB2 . GLU A1 1 56 ? -7.853 15.368 -29.011 1.0 41.11 ? 56 A 4 -ATOM 863 H HB3 . GLU A1 1 56 ? -7.44 13.659 -29.03 1.0 51.02 ? 56 A 4 -ATOM 864 H HG2 . GLU A1 1 56 ? -7.005 14.599 -31.188 1.0 71.31 ? 56 A 4 -ATOM 865 H HG3 . GLU A1 1 56 ? -8.37 13.491 -31.307 1.0 60.44 ? 56 A 4 -ATOM 866 N N . ASP A1 1 57 ? -9.002 11.69 -28.912 1.0 71.03 ? 57 A 4 -ATOM 867 C CA . ASP A1 1 57 ? -8.926 10.334 -28.379 1.0 63.41 ? 57 A 4 -ATOM 868 C C . ASP A1 1 57 ? -7.828 10.225 -27.326 1.0 21.4 ? 57 A 4 -ATOM 869 O O . ASP A1 1 57 ? -7.9 9.391 -26.424 1.0 43.31 ? 57 A 4 -ATOM 870 C CB . ASP A1 1 57 ? -8.67 9.334 -29.507 1.0 45.31 ? 57 A 4 -ATOM 871 C CG . ASP A1 1 57 ? -9.776 9.334 -30.544 1.0 55.43 ? 57 A 4 -ATOM 872 O OD1 . ASP A1 1 57 ? -10.958 9.239 -30.151 1.0 72.35 ? 57 A 4 -ATOM 873 O OD2 . ASP A1 1 57 ? -9.46 9.43 -31.748 1.0 15.11 ? 57 A 4 -ATOM 874 H H . ASP A1 1 57 ? -8.663 11.868 -29.814 1.0 23.12 ? 57 A 4 -ATOM 875 H HA . ASP A1 1 57 ? -9.874 10.106 -27.916 1.0 62.14 ? 57 A 4 -ATOM 876 H HB2 . ASP A1 1 57 ? -7.741 9.585 -29.999 1.0 24.44 ? 57 A 4 -ATOM 877 H HB3 . ASP A1 1 57 ? -8.593 8.341 -29.088 1.0 64.03 ? 57 A 4 -ATOM 878 N N . SER A1 1 58 ? -6.811 11.073 -27.449 1.0 32.51 ? 58 A 4 -ATOM 879 C CA . SER A1 1 58 ? -5.695 11.068 -26.511 1.0 62.24 ? 58 A 4 -ATOM 880 C C . SER A1 1 58 ? -5.707 12.325 -25.646 1.0 2.12 ? 58 A 4 -ATOM 881 O O . SER A1 1 58 ? -4.804 12.546 -24.841 1.0 12.21 ? 58 A 4 -ATOM 882 C CB . SER A1 1 58 ? -4.367 10.967 -27.265 1.0 65.11 ? 58 A 4 -ATOM 883 O OG . SER A1 1 58 ? -3.281 10.818 -26.368 1.0 34.21 ? 58 A 4 -ATOM 884 H H . SER A1 1 58 ? -6.811 11.714 -28.19 1.0 21.03 ? 58 A 4 -ATOM 885 H HA . SER A1 1 58 ? -5.802 10.205 -25.872 1.0 33.55 ? 58 A 4 -ATOM 886 H HB2 . SER A1 1 58 ? -4.395 10.112 -27.924 1.0 31.42 ? 58 A 4 -ATOM 887 H HB3 . SER A1 1 58 ? -4.218 11.865 -27.847 1.0 40.4 ? 58 A 4 -ATOM 888 H HG . SER A1 1 58 ? -3.516 10.189 -25.682 1.0 10.23 ? 58 A 4 -ATOM 889 N N . ASN A1 1 59 ? -6.738 13.146 -25.82 1.0 35.41 ? 59 A 4 -ATOM 890 C CA . ASN A1 1 59 ? -6.868 14.381 -25.057 1.0 52.34 ? 59 A 4 -ATOM 891 C C . ASN A1 1 59 ? -7.548 14.123 -23.716 1.0 4.01 ? 59 A 4 -ATOM 892 O O . ASN A1 1 59 ? -8.748 14.349 -23.562 1.0 42.21 ? 59 A 4 -ATOM 893 C CB . ASN A1 1 59 ? -7.665 15.416 -25.854 1.0 21.1 ? 59 A 4 -ATOM 894 C CG . ASN A1 1 59 ? -7.339 16.839 -25.443 1.0 14.54 ? 59 A 4 -ATOM 895 O OD1 . ASN A1 1 59 ? -6.786 17.611 -26.226 1.0 24.42 ? 59 A 4 -ATOM 896 N ND2 . ASN A1 1 59 ? -7.682 17.191 -24.21 1.0 14.44 ? 59 A 4 -ATOM 897 H H . ASN A1 1 59 ? -7.427 12.915 -26.478 1.0 5.51 ? 59 A 4 -ATOM 898 H HA . ASN A1 1 59 ? -5.876 14.766 -24.877 1.0 74.51 ? 59 A 4 -ATOM 899 H HB2 . ASN A1 1 59 ? -7.439 15.304 -26.905 1.0 43.43 ? 59 A 4 -ATOM 900 H HB3 . ASN A1 1 59 ? -8.72 15.248 -25.698 1.0 11.21 ? 59 A 4 -ATOM 901 H HD21 . ASN A1 1 59 ? -8.119 16.523 -23.641 1.0 21.33 ? 59 A 4 -ATOM 902 H HD22 . ASN A1 1 59 ? -7.483 18.106 -23.918 1.0 12.0 ? 59 A 4 -ATOM 903 N N . ALA A1 1 60 ? -6.771 13.648 -22.747 1.0 13.11 ? 60 A 4 -ATOM 904 C CA . ALA A1 1 60 ? -7.297 13.361 -21.418 1.0 35.51 ? 60 A 4 -ATOM 905 C C . ALA A1 1 60 ? -6.182 12.949 -20.464 1.0 74.01 ? 60 A 4 -ATOM 906 O O . ALA A1 1 60 ? -5.681 13.764 -19.69 1.0 74.24 ? 60 A 4 -ATOM 907 C CB . ALA A1 1 60 ? -8.359 12.274 -21.494 1.0 64.13 ? 60 A 4 -ATOM 908 H H . ALA A1 1 60 ? -5.822 13.488 -22.931 1.0 31.12 ? 60 A 4 -ATOM 909 H HA . ALA A1 1 60 ? -7.764 14.26 -21.043 1.0 20.01 ? 60 A 4 -ATOM 910 H HB1 . ALA A1 1 60 ? -9.179 12.615 -22.109 1.0 72.33 ? 60 A 4 -ATOM 911 H HB2 . ALA A1 1 60 ? -7.93 11.382 -21.926 1.0 25.02 ? 60 A 4 -ATOM 912 H HB3 . ALA A1 1 60 ? -8.721 12.055 -20.501 1.0 51.02 ? 60 A 4 -ATOM 913 N N . MET A1 1 61 ? -5.798 11.678 -20.524 1.0 21.52 ? 61 A 4 -ATOM 914 C CA . MET A1 1 61 ? -4.74 11.158 -19.665 1.0 32.03 ? 61 A 4 -ATOM 915 C C . MET A1 1 61 ? -3.378 11.691 -20.095 1.0 55.14 ? 61 A 4 -ATOM 916 O O . MET A1 1 61 ? -2.695 12.369 -19.327 1.0 73.23 ? 61 A 4 -ATOM 917 C CB . MET A1 1 61 ? -4.735 9.628 -19.695 1.0 33.12 ? 61 A 4 -ATOM 918 C CG . MET A1 1 61 ? -6.126 9.015 -19.686 1.0 10.31 ? 61 A 4 -ATOM 919 S SD . MET A1 1 61 ? -7.191 9.729 -18.418 1.0 3.45 ? 61 A 4 -ATOM 920 C CE . MET A1 1 61 ? -8.774 9.71 -19.256 1.0 11.34 ? 61 A 4 -ATOM 921 H H . MET A1 1 61 ? -6.235 11.075 -21.162 1.0 44.35 ? 61 A 4 -ATOM 922 H HA . MET A1 1 61 ? -4.941 11.488 -18.657 1.0 14.21 ? 61 A 4 -ATOM 923 H HB2 . MET A1 1 61 ? -4.226 9.3 -20.589 1.0 14.23 ? 61 A 4 -ATOM 924 H HB3 . MET A1 1 61 ? -4.199 9.264 -18.831 1.0 0.24 ? 61 A 4 -ATOM 925 H HG2 . MET A1 1 61 ? -6.583 9.176 -20.651 1.0 62.14 ? 61 A 4 -ATOM 926 H HG3 . MET A1 1 61 ? -6.035 7.954 -19.506 1.0 32.0 ? 61 A 4 -ATOM 927 H HE1 . MET A1 1 61 ? -9.248 10.675 -19.149 1.0 54.23 ? 61 A 4 -ATOM 928 H HE2 . MET A1 1 61 ? -8.624 9.496 -20.304 1.0 64.31 ? 61 A 4 -ATOM 929 H HE3 . MET A1 1 61 ? -9.403 8.949 -18.819 1.0 24.11 ? 61 A 4 -ATOM 930 N N . SER A1 1 62 ? -2.988 11.381 -21.328 1.0 73.15 ? 62 A 4 -ATOM 931 C CA . SER A1 1 62 ? -1.705 11.826 -21.859 1.0 12.22 ? 62 A 4 -ATOM 932 C C . SER A1 1 62 ? -1.6 13.348 -21.821 1.0 13.52 ? 62 A 4 -ATOM 933 O O . SER A1 1 62 ? -0.521 13.902 -21.612 1.0 42.51 ? 62 A 4 -ATOM 934 C CB . SER A1 1 62 ? -1.522 11.327 -23.293 1.0 62.33 ? 62 A 4 -ATOM 935 O OG . SER A1 1 62 ? -0.896 12.31 -24.099 1.0 14.13 ? 62 A 4 -ATOM 936 H H . SER A1 1 62 ? -3.577 10.838 -21.892 1.0 74.25 ? 62 A 4 -ATOM 937 H HA . SER A1 1 62 ? -0.927 11.408 -21.239 1.0 74.15 ? 62 A 4 -ATOM 938 H HB2 . SER A1 1 62 ? -0.908 10.439 -23.287 1.0 54.41 ? 62 A 4 -ATOM 939 H HB3 . SER A1 1 62 ? -2.489 11.094 -23.716 1.0 23.45 ? 62 A 4 -ATOM 940 H HG . SER A1 1 62 ? -1.533 12.989 -24.33 1.0 1.23 ? 62 A 4 -ATOM 941 N N . ASP A1 1 63 ? -2.729 14.018 -22.024 1.0 34.33 ? 63 A 4 -ATOM 942 C CA . ASP A1 1 63 ? -2.766 15.476 -22.012 1.0 10.21 ? 63 A 4 -ATOM 943 C C . ASP A1 1 63 ? -2.285 16.021 -20.671 1.0 63.54 ? 63 A 4 -ATOM 944 O O . ASP A1 1 63 ? -1.845 17.167 -20.577 1.0 31.33 ? 63 A 4 -ATOM 945 C CB . ASP A1 1 63 ? -4.184 15.974 -22.3 1.0 21.1 ? 63 A 4 -ATOM 946 C CG . ASP A1 1 63 ? -4.204 17.406 -22.795 1.0 12.2 ? 63 A 4 -ATOM 947 O OD1 . ASP A1 1 63 ? -3.887 17.628 -23.982 1.0 53.24 ? 63 A 4 -ATOM 948 O OD2 . ASP A1 1 63 ? -4.538 18.306 -21.995 1.0 3.13 ? 63 A 4 -ATOM 949 H H . ASP A1 1 63 ? -3.558 13.52 -22.185 1.0 14.4 ? 63 A 4 -ATOM 950 H HA . ASP A1 1 63 ? -2.106 15.83 -22.789 1.0 72.42 ? 63 A 4 -ATOM 951 H HB2 . ASP A1 1 63 ? -4.633 15.345 -23.055 1.0 63.34 ? 63 A 4 -ATOM 952 H HB3 . ASP A1 1 63 ? -4.769 15.916 -21.394 1.0 44.51 ? 63 A 4 -ATOM 953 N N . TYR A1 1 64 ? -2.372 15.192 -19.636 1.0 43.15 ? 64 A 4 -ATOM 954 C CA . TYR A1 1 64 ? -1.949 15.592 -18.3 1.0 74.44 ? 64 A 4 -ATOM 955 C C . TYR A1 1 64 ? -2.97 16.53 -17.662 1.0 35.31 ? 64 A 4 -ATOM 956 O O . TYR A1 1 64 ? -2.61 17.541 -17.061 1.0 63.11 ? 64 A 4 -ATOM 957 C CB . TYR A1 1 64 ? -0.581 16.274 -18.358 1.0 41.31 ? 64 A 4 -ATOM 958 C CG . TYR A1 1 64 ? 0.408 15.572 -19.261 1.0 35.31 ? 64 A 4 -ATOM 959 C CD1 . TYR A1 1 64 ? 0.833 14.278 -18.986 1.0 10.21 ? 64 A 4 -ATOM 960 C CD2 . TYR A1 1 64 ? 0.917 16.203 -20.39 1.0 61.0 ? 64 A 4 -ATOM 961 C CE1 . TYR A1 1 64 ? 1.737 13.634 -19.808 1.0 31.32 ? 64 A 4 -ATOM 962 C CE2 . TYR A1 1 64 ? 1.82 15.565 -21.218 1.0 3.01 ? 64 A 4 -ATOM 963 C CZ . TYR A1 1 64 ? 2.227 14.281 -20.923 1.0 35.43 ? 64 A 4 -ATOM 964 O OH . TYR A1 1 64 ? 3.126 13.641 -21.745 1.0 23.32 ? 64 A 4 -ATOM 965 H H . TYR A1 1 64 ? -2.731 14.291 -19.774 1.0 10.22 ? 64 A 4 -ATOM 966 H HA . TYR A1 1 64 ? -1.87 14.7 -17.696 1.0 40.51 ? 64 A 4 -ATOM 967 H HB2 . TYR A1 1 64 ? -0.704 17.283 -18.722 1.0 75.32 ? 64 A 4 -ATOM 968 H HB3 . TYR A1 1 64 ? -0.159 16.305 -17.364 1.0 32.34 ? 64 A 4 -ATOM 969 H HD1 . TYR A1 1 64 ? 0.446 13.774 -18.112 1.0 1.35 ? 64 A 4 -ATOM 970 H HD2 . TYR A1 1 64 ? 0.596 17.209 -20.618 1.0 32.41 ? 64 A 4 -ATOM 971 H HE1 . TYR A1 1 64 ? 2.055 12.628 -19.577 1.0 52.21 ? 64 A 4 -ATOM 972 H HE2 . TYR A1 1 64 ? 2.204 16.072 -22.091 1.0 43.14 ? 64 A 4 -ATOM 973 H HH . TYR A1 1 64 ? 2.695 12.899 -22.175 1.0 23.33 ? 64 A 4 -ATOM 974 N N . ASN A1 1 65 ? -4.246 16.184 -17.799 1.0 61.21 ? 65 A 4 -ATOM 975 C CA . ASN A1 1 65 ? -5.321 16.994 -17.237 1.0 70.22 ? 65 A 4 -ATOM 976 C C . ASN A1 1 65 ? -6.33 16.12 -16.497 1.0 21.44 ? 65 A 4 -ATOM 977 O O . ASN A1 1 65 ? -7.447 16.55 -16.21 1.0 22.24 ? 65 A 4 -ATOM 978 C CB . ASN A1 1 65 ? -6.026 17.782 -18.343 1.0 30.31 ? 65 A 4 -ATOM 979 C CG . ASN A1 1 65 ? -6.896 18.896 -17.794 1.0 75.23 ? 65 A 4 -ATOM 980 O OD1 . ASN A1 1 65 ? -6.487 19.633 -16.896 1.0 74.2 ? 65 A 4 -ATOM 981 N ND2 . ASN A1 1 65 ? -8.103 19.025 -18.333 1.0 12.4 ? 65 A 4 -ATOM 982 H H . ASN A1 1 65 ? -4.47 15.366 -18.29 1.0 72.01 ? 65 A 4 -ATOM 983 H HA . ASN A1 1 65 ? -4.882 17.688 -16.536 1.0 43.44 ? 65 A 4 -ATOM 984 H HB2 . ASN A1 1 65 ? -5.283 18.219 -18.994 1.0 12.24 ? 65 A 4 -ATOM 985 H HB3 . ASN A1 1 65 ? -6.65 17.111 -18.914 1.0 73.02 ? 65 A 4 -ATOM 986 H HD21 . ASN A1 1 65 ? -8.361 18.402 -19.045 1.0 23.44 ? 65 A 4 -ATOM 987 H HD22 . ASN A1 1 65 ? -8.685 19.738 -17.998 1.0 32.24 ? 65 A 4 -ATOM 988 N N . VAL A1 1 66 ? -5.928 14.891 -16.191 1.0 11.4 ? 66 A 4 -ATOM 989 C CA . VAL A1 1 66 ? -6.795 13.957 -15.483 1.0 70.45 ? 66 A 4 -ATOM 990 C C . VAL A1 1 66 ? -6.627 14.086 -13.973 1.0 73.11 ? 66 A 4 -ATOM 991 O O . VAL A1 1 66 ? -5.513 14.008 -13.455 1.0 33.12 ? 66 A 4 -ATOM 992 C CB . VAL A1 1 66 ? -6.509 12.501 -15.897 1.0 40.11 ? 66 A 4 -ATOM 993 C CG1 . VAL A1 1 66 ? -5.108 12.09 -15.471 1.0 32.21 ? 66 A 4 -ATOM 994 C CG2 . VAL A1 1 66 ? -7.552 11.565 -15.307 1.0 25.13 ? 66 A 4 -ATOM 995 H H . VAL A1 1 66 ? -5.026 14.606 -16.446 1.0 25.31 ? 66 A 4 -ATOM 996 H HA . VAL A1 1 66 ? -7.818 14.189 -15.743 1.0 44.24 ? 66 A 4 -ATOM 997 H HB . VAL A1 1 66 ? -6.567 12.437 -16.974 1.0 65.05 ? 66 A 4 -ATOM 998 H HG11 . VAL A1 1 66 ? -5.167 11.496 -14.57 1.0 62.5 ? 66 A 4 -ATOM 999 H HG12 . VAL A1 1 66 ? -4.648 11.509 -16.257 1.0 4.5 ? 66 A 4 -ATOM 1000 H HG13 . VAL A1 1 66 ? -4.516 12.973 -15.281 1.0 12.32 ? 66 A 4 -ATOM 1001 H HG21 . VAL A1 1 66 ? -7.319 10.547 -15.581 1.0 23.4 ? 66 A 4 -ATOM 1002 H HG22 . VAL A1 1 66 ? -7.55 11.658 -14.231 1.0 64.2 ? 66 A 4 -ATOM 1003 H HG23 . VAL A1 1 66 ? -8.529 11.826 -15.688 1.0 74.31 ? 66 A 4 -ATOM 1004 N N . GLN A1 1 67 ? -7.739 14.285 -13.274 1.0 5.43 ? 67 A 4 -ATOM 1005 C CA . GLN A1 1 67 ? -7.714 14.425 -11.823 1.0 15.5 ? 67 A 4 -ATOM 1006 C C . GLN A1 1 67 ? -8.608 13.383 -11.16 1.0 62.54 ? 67 A 4 -ATOM 1007 O O . GLN A1 1 67 ? -9.201 12.539 -11.832 1.0 44.01 ? 67 A 4 -ATOM 1008 C CB . GLN A1 1 67 ? -8.162 15.831 -11.418 1.0 35.11 ? 67 A 4 -ATOM 1009 C CG . GLN A1 1 67 ? -9.602 16.142 -11.793 1.0 11.21 ? 67 A 4 -ATOM 1010 C CD . GLN A1 1 67 ? -10.257 17.117 -10.835 1.0 34.44 ? 67 A 4 -ATOM 1011 O OE1 . GLN A1 1 67 ? -10.421 16.826 -9.65 1.0 41.54 ? 67 A 4 -ATOM 1012 N NE2 . GLN A1 1 67 ? -10.636 18.284 -11.344 1.0 50.51 ? 67 A 4 -ATOM 1013 H H . GLN A1 1 67 ? -8.597 14.338 -13.745 1.0 54.23 ? 67 A 4 -ATOM 1014 H HA . GLN A1 1 67 ? -6.698 14.272 -11.493 1.0 21.13 ? 67 A 4 -ATOM 1015 H HB2 . GLN A1 1 67 ? -8.061 15.933 -10.348 1.0 61.05 ? 67 A 4 -ATOM 1016 H HB3 . GLN A1 1 67 ? -7.523 16.553 -11.903 1.0 21.05 ? 67 A 4 -ATOM 1017 H HG2 . GLN A1 1 67 ? -9.618 16.57 -12.784 1.0 63.24 ? 67 A 4 -ATOM 1018 H HG3 . GLN A1 1 67 ? -10.168 15.222 -11.791 1.0 63.02 ? 67 A 4 -ATOM 1019 H HE21 . GLN A1 1 67 ? -10.475 18.446 -12.297 1.0 0.12 ? 67 A 4 -ATOM 1020 H HE22 . GLN A1 1 67 ? -11.063 18.932 -10.747 1.0 72.41 ? 67 A 4 -ATOM 1021 N N . LYS A1 1 68 ? -8.701 13.447 -9.836 1.0 63.33 ? 68 A 4 -ATOM 1022 C CA . LYS A1 1 68 ? -9.523 12.509 -9.08 1.0 34.0 ? 68 A 4 -ATOM 1023 C C . LYS A1 1 68 ? -11.006 12.756 -9.337 1.0 33.21 ? 68 A 4 -ATOM 1024 O O . LYS A1 1 68 ? -11.814 11.829 -9.299 1.0 33.01 ? 68 A 4 -ATOM 1025 C CB . LYS A1 1 68 ? -9.227 12.631 -7.583 1.0 41.41 ? 68 A 4 -ATOM 1026 C CG . LYS A1 1 68 ? -9.689 11.433 -6.772 1.0 61.44 ? 68 A 4 -ATOM 1027 C CD . LYS A1 1 68 ? -8.867 10.195 -7.087 1.0 43.41 ? 68 A 4 -ATOM 1028 C CE . LYS A1 1 68 ? -7.57 10.17 -6.292 1.0 23.43 ? 68 A 4 -ATOM 1029 N NZ . LYS A1 1 68 ? -7.82 10.152 -4.824 1.0 52.05 ? 68 A 4 -ATOM 1030 H H . LYS A1 1 68 ? -8.204 14.142 -9.355 1.0 75.53 ? 68 A 4 -ATOM 1031 H HA . LYS A1 1 68 ? -9.274 11.511 -9.407 1.0 31.4 ? 68 A 4 -ATOM 1032 H HB2 . LYS A1 1 68 ? -8.161 12.742 -7.447 1.0 51.5 ? 68 A 4 -ATOM 1033 H HB3 . LYS A1 1 68 ? -9.723 13.512 -7.201 1.0 62.4 ? 68 A 4 -ATOM 1034 H HG2 . LYS A1 1 68 ? -9.589 11.661 -5.721 1.0 22.33 ? 68 A 4 -ATOM 1035 H HG3 . LYS A1 1 68 ? -10.726 11.233 -7.002 1.0 45.02 ? 68 A 4 -ATOM 1036 H HD2 . LYS A1 1 68 ? -9.444 9.317 -6.84 1.0 14.2 ? 68 A 4 -ATOM 1037 H HD3 . LYS A1 1 68 ? -8.632 10.189 -8.142 1.0 13.53 ? 68 A 4 -ATOM 1038 H HE2 . LYS A1 1 68 ? -7.013 9.287 -6.565 1.0 43.13 ? 68 A 4 -ATOM 1039 H HE3 . LYS A1 1 68 ? -6.995 11.05 -6.54 1.0 63.42 ? 68 A 4 -ATOM 1040 H HZ1 . LYS A1 1 68 ? -7.233 9.423 -4.37 1.0 1.54 ? 68 A 4 -ATOM 1041 H HZ2 . LYS A1 1 68 ? -8.822 9.943 -4.635 1.0 73.32 ? 68 A 4 -ATOM 1042 H HZ3 . LYS A1 1 68 ? -7.587 11.077 -4.41 1.0 23.44 ? 68 A 4 -ATOM 1043 N N . GLU A1 1 69 ? -11.356 14.011 -9.6 1.0 51.1 ? 69 A 4 -ATOM 1044 C CA . GLU A1 1 69 ? -12.742 14.378 -9.864 1.0 15.41 ? 69 A 4 -ATOM 1045 C C . GLU A1 1 69 ? -12.819 15.535 -10.857 1.0 20.25 ? 69 A 4 -ATOM 1046 O O . GLU A1 1 69 ? -13.054 16.681 -10.474 1.0 55.15 ? 69 A 4 -ATOM 1047 C CB . GLU A1 1 69 ? -13.448 14.761 -8.562 1.0 42.14 ? 69 A 4 -ATOM 1048 C CG . GLU A1 1 69 ? -13.647 13.593 -7.611 1.0 32.44 ? 69 A 4 -ATOM 1049 C CD . GLU A1 1 69 ? -14.052 14.037 -6.218 1.0 60.3 ? 69 A 4 -ATOM 1050 O OE1 . GLU A1 1 69 ? -14.196 15.259 -6.004 1.0 52.11 ? 69 A 4 -ATOM 1051 O OE2 . GLU A1 1 69 ? -14.225 13.163 -5.343 1.0 33.22 ? 69 A 4 -ATOM 1052 H H . GLU A1 1 69 ? -10.665 14.707 -9.616 1.0 51.55 ? 69 A 4 -ATOM 1053 H HA . GLU A1 1 69 ? -13.237 13.519 -10.291 1.0 21.13 ? 69 A 4 -ATOM 1054 H HB2 . GLU A1 1 69 ? -12.862 15.515 -8.057 1.0 70.35 ? 69 A 4 -ATOM 1055 H HB3 . GLU A1 1 69 ? -14.418 15.173 -8.801 1.0 25.14 ? 69 A 4 -ATOM 1056 H HG2 . GLU A1 1 69 ? -14.42 12.951 -8.006 1.0 60.54 ? 69 A 4 -ATOM 1057 H HG3 . GLU A1 1 69 ? -12.722 13.04 -7.542 1.0 2.43 ? 69 A 4 -ATOM 1058 N N . SER A1 1 70 ? -12.619 15.225 -12.134 1.0 51.41 ? 70 A 4 -ATOM 1059 C CA . SER A1 1 70 ? -12.661 16.238 -13.182 1.0 50.24 ? 70 A 4 -ATOM 1060 C C . SER A1 1 70 ? -14.067 16.362 -13.761 1.0 72.1 ? 70 A 4 -ATOM 1061 O O . SER A1 1 70 ? -14.678 15.37 -14.159 1.0 13.02 ? 70 A 4 -ATOM 1062 C CB . SER A1 1 70 ? -11.668 15.894 -14.293 1.0 75.43 ? 70 A 4 -ATOM 1063 O OG . SER A1 1 70 ? -12.31 15.851 -15.556 1.0 45.33 ? 70 A 4 -ATOM 1064 H H . SER A1 1 70 ? -12.436 14.293 -12.376 1.0 42.55 ? 70 A 4 -ATOM 1065 H HA . SER A1 1 70 ? -12.382 17.183 -12.741 1.0 61.25 ? 70 A 4 -ATOM 1066 H HB2 . SER A1 1 70 ? -10.891 16.643 -14.323 1.0 1.23 ? 70 A 4 -ATOM 1067 H HB3 . SER A1 1 70 ? -11.229 14.927 -14.093 1.0 50.33 ? 70 A 4 -ATOM 1068 H HG . SER A1 1 70 ? -12.385 16.741 -15.907 1.0 14.24 ? 70 A 4 -ATOM 1069 N N . THR A1 1 71 ? -14.576 17.589 -13.805 1.0 52.55 ? 71 A 4 -ATOM 1070 C CA . THR A1 1 71 ? -15.91 17.845 -14.333 1.0 43.33 ? 71 A 4 -ATOM 1071 C C . THR A1 1 71 ? -15.854 18.222 -15.809 1.0 63.44 ? 71 A 4 -ATOM 1072 O O . THR A1 1 71 ? -15.308 19.264 -16.175 1.0 13.52 ? 71 A 4 -ATOM 1073 C CB . THR A1 1 71 ? -16.617 18.971 -13.555 1.0 4.41 ? 71 A 4 -ATOM 1074 O OG1 . THR A1 1 71 ? -15.681 20.007 -13.235 1.0 4.41 ? 71 A 4 -ATOM 1075 C CG2 . THR A1 1 71 ? -17.244 18.434 -12.277 1.0 4.35 ? 71 A 4 -ATOM 1076 H H . THR A1 1 71 ? -14.041 18.34 -13.472 1.0 14.04 ? 71 A 4 -ATOM 1077 H HA . THR A1 1 71 ? -16.491 16.941 -14.224 1.0 24.13 ? 71 A 4 -ATOM 1078 H HB . THR A1 1 71 ? -17.398 19.383 -14.177 1.0 70.41 ? 71 A 4 -ATOM 1079 H HG1 . THR A1 1 71 ? -16.148 20.752 -12.848 1.0 53.11 ? 71 A 4 -ATOM 1080 H HG21 . THR A1 1 71 ? -18.249 18.099 -12.484 1.0 12.42 ? 71 A 4 -ATOM 1081 H HG22 . THR A1 1 71 ? -17.272 19.217 -11.534 1.0 75.2 ? 71 A 4 -ATOM 1082 H HG23 . THR A1 1 71 ? -16.656 17.607 -11.908 1.0 31.12 ? 71 A 4 -ATOM 1083 N N . LEU A1 1 72 ? -16.421 17.368 -16.655 1.0 74.32 ? 72 A 4 -ATOM 1084 C CA . LEU A1 1 72 ? -16.436 17.612 -18.093 1.0 62.12 ? 72 A 4 -ATOM 1085 C C . LEU A1 1 72 ? -17.848 17.479 -18.653 1.0 14.1 ? 72 A 4 -ATOM 1086 O O . LEU A1 1 72 ? -18.679 16.754 -18.105 1.0 22.33 ? 72 A 4 -ATOM 1087 C CB . LEU A1 1 72 ? -15.499 16.635 -18.805 1.0 54.24 ? 72 A 4 -ATOM 1088 C CG . LEU A1 1 72 ? -16.122 15.313 -19.255 1.0 12.34 ? 72 A 4 -ATOM 1089 C CD1 . LEU A1 1 72 ? -16.454 15.357 -20.739 1.0 71.53 ? 72 A 4 -ATOM 1090 C CD2 . LEU A1 1 72 ? -15.188 14.152 -18.95 1.0 45.31 ? 72 A 4 -ATOM 1091 H H . LEU A1 1 72 ? -16.84 16.555 -16.305 1.0 40.44 ? 72 A 4 -ATOM 1092 H HA . LEU A1 1 72 ? -16.088 18.62 -18.262 1.0 22.23 ? 72 A 4 -ATOM 1093 H HB2 . LEU A1 1 72 ? -15.108 17.131 -19.681 1.0 24.33 ? 72 A 4 -ATOM 1094 H HB3 . LEU A1 1 72 ? -14.686 16.406 -18.131 1.0 64.44 ? 72 A 4 -ATOM 1095 H HG . LEU A1 1 72 ? -17.044 15.154 -18.712 1.0 60.22 ? 72 A 4 -ATOM 1096 H HD11 . LEU A1 1 72 ? -16.578 14.351 -21.11 1.0 22.12 ? 72 A 4 -ATOM 1097 H HD12 . LEU A1 1 72 ? -15.65 15.842 -21.273 1.0 11.12 ? 72 A 4 -ATOM 1098 H HD13 . LEU A1 1 72 ? -17.37 15.911 -20.886 1.0 74.11 ? 72 A 4 -ATOM 1099 H HD21 . LEU A1 1 72 ? -15.725 13.221 -19.052 1.0 45.11 ? 72 A 4 -ATOM 1100 H HD22 . LEU A1 1 72 ? -14.816 14.245 -17.94 1.0 64.51 ? 72 A 4 -ATOM 1101 H HD23 . LEU A1 1 72 ? -14.357 14.167 -19.641 1.0 15.53 ? 72 A 4 -ATOM 1102 N N . HIS A1 1 73 ? -18.113 18.182 -19.75 1.0 22.1 ? 73 A 4 -ATOM 1103 C CA . HIS A1 1 73 ? -19.425 18.141 -20.386 1.0 43.22 ? 73 A 4 -ATOM 1104 C C . HIS A1 1 73 ? -19.433 17.154 -21.55 1.0 1.12 ? 73 A 4 -ATOM 1105 O O . HIS A1 1 73 ? -18.664 17.295 -22.502 1.0 41.41 ? 73 A 4 -ATOM 1106 C CB . HIS A1 1 73 ? -19.82 19.533 -20.88 1.0 34.11 ? 73 A 4 -ATOM 1107 C CG . HIS A1 1 73 ? -19.809 20.575 -19.805 1.0 25.31 ? 73 A 4 -ATOM 1108 N ND1 . HIS A1 1 73 ? -19.72 21.926 -20.067 1.0 22.31 ? 73 A 4 -ATOM 1109 C CD2 . HIS A1 1 73 ? -19.877 20.458 -18.458 1.0 30.12 ? 73 A 4 -ATOM 1110 C CE1 . HIS A1 1 73 ? -19.733 22.595 -18.928 1.0 74.03 ? 73 A 4 -ATOM 1111 N NE2 . HIS A1 1 73 ? -19.828 21.728 -17.936 1.0 22.32 ? 73 A 4 -ATOM 1112 H H . HIS A1 1 73 ? -17.41 18.742 -20.14 1.0 41.1 ? 73 A 4 -ATOM 1113 H HA . HIS A1 1 73 ? -20.141 17.813 -19.649 1.0 23.25 ? 73 A 4 -ATOM 1114 H HB2 . HIS A1 1 73 ? -19.129 19.844 -21.65 1.0 51.13 ? 73 A 4 -ATOM 1115 H HB3 . HIS A1 1 73 ? -20.818 19.492 -21.293 1.0 64.13 ? 73 A 4 -ATOM 1116 H HD1 . HIS A1 1 73 ? -19.656 22.333 -20.955 1.0 63.31 ? 73 A 4 -ATOM 1117 H HD2 . HIS A1 1 73 ? -19.955 19.538 -17.897 1.0 71.43 ? 73 A 4 -ATOM 1118 H HE1 . HIS A1 1 73 ? -19.676 23.668 -18.824 1.0 3.34 ? 73 A 4 -ATOM 1119 N N . LEU A1 1 74 ? -20.306 16.156 -21.467 1.0 31.4 ? 74 A 4 -ATOM 1120 C CA . LEU A1 1 74 ? -20.413 15.145 -22.513 1.0 41.22 ? 74 A 4 -ATOM 1121 C C . LEU A1 1 74 ? -21.662 15.369 -23.361 1.0 21.0 ? 74 A 4 -ATOM 1122 O O . LEU A1 1 74 ? -22.784 15.318 -22.858 1.0 70.53 ? 74 A 4 -ATOM 1123 C CB . LEU A1 1 74 ? -20.447 13.746 -21.896 1.0 42.32 ? 74 A 4 -ATOM 1124 C CG . LEU A1 1 74 ? -21.164 12.669 -22.712 1.0 13.02 ? 74 A 4 -ATOM 1125 C CD1 . LEU A1 1 74 ? -20.497 12.494 -24.067 1.0 50.12 ? 74 A 4 -ATOM 1126 C CD2 . LEU A1 1 74 ? -21.186 11.351 -21.952 1.0 22.4 ? 74 A 4 -ATOM 1127 H H . LEU A1 1 74 ? -20.892 16.097 -20.685 1.0 53.04 ? 74 A 4 -ATOM 1128 H HA . LEU A1 1 74 ? -19.543 15.23 -23.147 1.0 65.43 ? 74 A 4 -ATOM 1129 H HB2 . LEU A1 1 74 ? -19.427 13.425 -21.749 1.0 22.02 ? 74 A 4 -ATOM 1130 H HB3 . LEU A1 1 74 ? -20.941 13.82 -20.938 1.0 20.31 ? 74 A 4 -ATOM 1131 H HG . LEU A1 1 74 ? -22.187 12.976 -22.881 1.0 34.12 ? 74 A 4 -ATOM 1132 H HD11 . LEU A1 1 74 ? -20.505 11.45 -24.34 1.0 33.01 ? 74 A 4 -ATOM 1133 H HD12 . LEU A1 1 74 ? -19.477 12.844 -24.014 1.0 1.34 ? 74 A 4 -ATOM 1134 H HD13 . LEU A1 1 74 ? -21.035 13.065 -24.81 1.0 63.14 ? 74 A 4 -ATOM 1135 H HD21 . LEU A1 1 74 ? -20.179 11.078 -21.674 1.0 12.32 ? 74 A 4 -ATOM 1136 H HD22 . LEU A1 1 74 ? -21.608 10.581 -22.581 1.0 54.43 ? 74 A 4 -ATOM 1137 H HD23 . LEU A1 1 74 ? -21.789 11.459 -21.062 1.0 14.02 ? 74 A 4 -ATOM 1138 N N . VAL A1 1 75 ? -21.458 15.616 -24.651 1.0 43.5 ? 75 A 4 -ATOM 1139 C CA . VAL A1 1 75 ? -22.567 15.845 -25.57 1.0 52.32 ? 75 A 4 -ATOM 1140 C C . VAL A1 1 75 ? -22.713 14.689 -26.553 1.0 61.15 ? 75 A 4 -ATOM 1141 O O . VAL A1 1 75 ? -21.768 14.336 -27.259 1.0 54.31 ? 75 A 4 -ATOM 1142 C CB . VAL A1 1 75 ? -22.381 17.155 -26.359 1.0 24.5 ? 75 A 4 -ATOM 1143 C CG1 . VAL A1 1 75 ? -23.59 17.423 -27.242 1.0 55.3 ? 75 A 4 -ATOM 1144 C CG2 . VAL A1 1 75 ? -22.136 18.318 -25.409 1.0 64.14 ? 75 A 4 -ATOM 1145 H H . VAL A1 1 75 ? -20.54 15.644 -24.993 1.0 70.11 ? 75 A 4 -ATOM 1146 H HA . VAL A1 1 75 ? -23.473 15.926 -24.987 1.0 60.52 ? 75 A 4 -ATOM 1147 H HB . VAL A1 1 75 ? -21.515 17.048 -26.995 1.0 44.41 ? 75 A 4 -ATOM 1148 H HG11 . VAL A1 1 75 ? -23.292 17.39 -28.279 1.0 31.54 ? 75 A 4 -ATOM 1149 H HG12 . VAL A1 1 75 ? -24.344 16.671 -27.058 1.0 61.34 ? 75 A 4 -ATOM 1150 H HG13 . VAL A1 1 75 ? -23.992 18.399 -27.014 1.0 54.52 ? 75 A 4 -ATOM 1151 H HG21 . VAL A1 1 75 ? -22.002 19.225 -25.978 1.0 5.24 ? 75 A 4 -ATOM 1152 H HG22 . VAL A1 1 75 ? -22.983 18.427 -24.749 1.0 61.35 ? 75 A 4 -ATOM 1153 H HG23 . VAL A1 1 75 ? -21.247 18.125 -24.825 1.0 24.43 ? 75 A 4 -ATOM 1154 N N . LEU A1 1 76 ? -23.904 14.102 -26.594 1.0 35.1 ? 76 A 4 -ATOM 1155 C CA . LEU A1 1 76 ? -24.176 12.985 -27.492 1.0 22.53 ? 76 A 4 -ATOM 1156 C C . LEU A1 1 76 ? -25.374 13.284 -28.387 1.0 2.14 ? 76 A 4 -ATOM 1157 O O . LEU A1 1 76 ? -26.383 13.821 -27.931 1.0 21.5 ? 76 A 4 -ATOM 1158 C CB . LEU A1 1 76 ? -24.432 11.709 -26.688 1.0 73.12 ? 76 A 4 -ATOM 1159 C CG . LEU A1 1 76 ? -24.342 11.845 -25.167 1.0 64.45 ? 76 A 4 -ATOM 1160 C CD1 . LEU A1 1 76 ? -25.61 12.474 -24.612 1.0 24.13 ? 76 A 4 -ATOM 1161 C CD2 . LEU A1 1 76 ? -24.092 10.488 -24.524 1.0 22.03 ? 76 A 4 -ATOM 1162 H H . LEU A1 1 76 ? -24.618 14.427 -26.008 1.0 44.32 ? 76 A 4 -ATOM 1163 H HA . LEU A1 1 76 ? -23.305 12.84 -28.114 1.0 53.04 ? 76 A 4 -ATOM 1164 H HB2 . LEU A1 1 76 ? -25.424 11.359 -26.93 1.0 71.31 ? 76 A 4 -ATOM 1165 H HB3 . LEU A1 1 76 ? -23.706 10.971 -26.999 1.0 62.14 ? 76 A 4 -ATOM 1166 H HG . LEU A1 1 76 ? -23.512 12.492 -24.918 1.0 42.11 ? 76 A 4 -ATOM 1167 H HD11 . LEU A1 1 76 ? -26.437 12.261 -25.272 1.0 12.14 ? 76 A 4 -ATOM 1168 H HD12 . LEU A1 1 76 ? -25.477 13.543 -24.534 1.0 23.21 ? 76 A 4 -ATOM 1169 H HD13 . LEU A1 1 76 ? -25.815 12.066 -23.633 1.0 40.2 ? 76 A 4 -ATOM 1170 H HD21 . LEU A1 1 76 ? -24.053 9.729 -25.291 1.0 53.24 ? 76 A 4 -ATOM 1171 H HD22 . LEU A1 1 76 ? -24.893 10.264 -23.835 1.0 72.02 ? 76 A 4 -ATOM 1172 H HD23 . LEU A1 1 76 ? -23.153 10.511 -23.991 1.0 63.4 ? 76 A 4 -ATOM 1173 N N . ARG A1 1 77 ? -25.256 12.931 -29.663 1.0 50.44 ? 77 A 4 -ATOM 1174 C CA . ARG A1 1 77 ? -26.33 13.162 -30.622 1.0 12.4 ? 77 A 4 -ATOM 1175 C C . ARG A1 1 77 ? -26.916 11.84 -31.109 1.0 10.32 ? 77 A 4 -ATOM 1176 O O . ARG A1 1 77 ? -26.773 11.479 -32.278 1.0 12.43 ? 77 A 4 -ATOM 1177 C CB . ARG A1 1 77 ? -25.814 13.973 -31.812 1.0 55.35 ? 77 A 4 -ATOM 1178 C CG . ARG A1 1 77 ? -24.539 13.415 -32.423 1.0 12.22 ? 77 A 4 -ATOM 1179 C CD . ARG A1 1 77 ? -23.305 14.1 -31.857 1.0 60.22 ? 77 A 4 -ATOM 1180 N NE . ARG A1 1 77 ? -23.258 15.518 -32.205 1.0 64.33 ? 77 A 4 -ATOM 1181 C CZ . ARG A1 1 77 ? -22.183 16.28 -32.037 1.0 13.31 ? 77 A 4 -ATOM 1182 N NH1 . ARG A1 1 77 ? -21.072 15.763 -31.53 1.0 63.3 ? 77 A 4 -ATOM 1183 N NH2 . ARG A1 1 77 ? -22.217 17.562 -32.378 1.0 70.54 ? 77 A 4 -ATOM 1184 H H . ARG A1 1 77 ? -24.426 12.507 -29.967 1.0 2.41 ? 77 A 4 -ATOM 1185 H HA . ARG A1 1 77 ? -27.105 13.724 -30.123 1.0 53.23 ? 77 A 4 -ATOM 1186 H HB2 . ARG A1 1 77 ? -26.576 13.991 -32.578 1.0 41.04 ? 77 A 4 -ATOM 1187 H HB3 . ARG A1 1 77 ? -25.619 14.983 -31.486 1.0 23.23 ? 77 A 4 -ATOM 1188 H HG2 . ARG A1 1 77 ? -24.481 12.358 -32.209 1.0 3.21 ? 77 A 4 -ATOM 1189 H HG3 . ARG A1 1 77 ? -24.567 13.567 -33.492 1.0 45.32 ? 77 A 4 -ATOM 1190 H HD2 . ARG A1 1 77 ? -23.317 14.003 -30.782 1.0 24.22 ? 77 A 4 -ATOM 1191 H HD3 . ARG A1 1 77 ? -22.426 13.612 -32.253 1.0 55.12 ? 77 A 4 -ATOM 1192 H HE . ARG A1 1 77 ? -24.067 15.92 -32.581 1.0 41.44 ? 77 A 4 -ATOM 1193 H HH11 . ARG A1 1 77 ? -21.043 14.798 -31.273 1.0 31.24 ? 77 A 4 -ATOM 1194 H HH12 . ARG A1 1 77 ? -20.264 16.339 -31.406 1.0 72.5 ? 77 A 4 -ATOM 1195 H HH21 . ARG A1 1 77 ? -23.053 17.955 -32.761 1.0 71.34 ? 77 A 4 -ATOM 1196 H HH22 . ARG A1 1 77 ? -21.408 18.135 -32.251 1.0 1.44 ? 77 A 4 -ATOM 1197 N N . LEU A1 1 78 ? -27.575 11.122 -30.206 1.0 31.03 ? 78 A 4 -ATOM 1198 C CA . LEU A1 1 78 ? -28.183 9.84 -30.544 1.0 51.32 ? 78 A 4 -ATOM 1199 C C . LEU A1 1 78 ? -29.299 10.019 -31.567 1.0 14.11 ? 78 A 4 -ATOM 1200 O O . LEU A1 1 78 ? -29.531 9.148 -32.407 1.0 12.31 ? 78 A 4 -ATOM 1201 C CB . LEU A1 1 78 ? -28.732 9.166 -29.285 1.0 42.51 ? 78 A 4 -ATOM 1202 C CG . LEU A1 1 78 ? -27.753 8.277 -28.518 1.0 51.45 ? 78 A 4 -ATOM 1203 C CD1 . LEU A1 1 78 ? -26.593 9.1 -27.98 1.0 14.44 ? 78 A 4 -ATOM 1204 C CD2 . LEU A1 1 78 ? -28.466 7.553 -27.385 1.0 25.32 ? 78 A 4 -ATOM 1205 H H . LEU A1 1 78 ? -27.655 11.462 -29.291 1.0 75.31 ? 78 A 4 -ATOM 1206 H HA . LEU A1 1 78 ? -27.415 9.212 -30.972 1.0 64.2 ? 78 A 4 -ATOM 1207 H HB2 . LEU A1 1 78 ? -29.068 9.943 -28.615 1.0 61.14 ? 78 A 4 -ATOM 1208 H HB3 . LEU A1 1 78 ? -29.575 8.557 -29.578 1.0 62.32 ? 78 A 4 -ATOM 1209 H HG . LEU A1 1 78 ? -27.35 7.532 -29.19 1.0 53.42 ? 78 A 4 -ATOM 1210 H HD11 . LEU A1 1 78 ? -25.967 8.477 -27.359 1.0 3.24 ? 78 A 4 -ATOM 1211 H HD12 . LEU A1 1 78 ? -26.976 9.923 -27.395 1.0 74.14 ? 78 A 4 -ATOM 1212 H HD13 . LEU A1 1 78 ? -26.012 9.485 -28.806 1.0 11.41 ? 78 A 4 -ATOM 1213 H HD21 . LEU A1 1 78 ? -28.116 6.533 -27.333 1.0 65.32 ? 78 A 4 -ATOM 1214 H HD22 . LEU A1 1 78 ? -29.531 7.56 -27.567 1.0 65.43 ? 78 A 4 -ATOM 1215 H HD23 . LEU A1 1 78 ? -28.258 8.054 -26.45 1.0 34.04 ? 78 A 4 -ATOM 1216 N N . ARG A1 1 79 ? -29.987 11.153 -31.493 1.0 44.5 ? 79 A 4 -ATOM 1217 C CA . ARG A1 1 79 ? -31.079 11.447 -32.413 1.0 54.44 ? 79 A 4 -ATOM 1218 C C . ARG A1 1 79 ? -30.591 11.427 -33.859 1.0 43.43 ? 79 A 4 -ATOM 1219 O O . ARG A1 1 79 ? -31.355 11.136 -34.778 1.0 24.23 ? 79 A 4 -ATOM 1220 C CB . ARG A1 1 79 ? -31.693 12.81 -32.09 1.0 53.1 ? 79 A 4 -ATOM 1221 C CG . ARG A1 1 79 ? -33.179 12.749 -31.777 1.0 62.42 ? 79 A 4 -ATOM 1222 C CD . ARG A1 1 79 ? -33.464 11.824 -30.604 1.0 15.2 ? 79 A 4 -ATOM 1223 N NE . ARG A1 1 79 ? -34.776 12.074 -30.015 1.0 22.21 ? 79 A 4 -ATOM 1224 C CZ . ARG A1 1 79 ? -35.417 11.199 -29.248 1.0 43.33 ? 79 A 4 -ATOM 1225 N NH1 . ARG A1 1 79 ? -34.868 10.022 -28.979 1.0 51.34 ? 79 A 4 -ATOM 1226 N NH2 . ARG A1 1 79 ? -36.609 11.499 -28.749 1.0 24.34 ? 79 A 4 -ATOM 1227 H H . ARG A1 1 79 ? -29.755 11.809 -30.801 1.0 30.43 ? 79 A 4 -ATOM 1228 H HA . ARG A1 1 79 ? -31.832 10.684 -32.289 1.0 75.12 ? 79 A 4 -ATOM 1229 H HB2 . ARG A1 1 79 ? -31.184 13.228 -31.234 1.0 72.51 ? 79 A 4 -ATOM 1230 H HB3 . ARG A1 1 79 ? -31.553 13.464 -32.938 1.0 62.3 ? 79 A 4 -ATOM 1231 H HG2 . ARG A1 1 79 ? -33.527 13.742 -31.53 1.0 34.21 ? 79 A 4 -ATOM 1232 H HG3 . ARG A1 1 79 ? -33.707 12.386 -32.646 1.0 51.44 ? 79 A 4 -ATOM 1233 H HD2 . ARG A1 1 79 ? -33.424 10.802 -30.95 1.0 21.42 ? 79 A 4 -ATOM 1234 H HD3 . ARG A1 1 79 ? -32.706 11.978 -29.85 1.0 24.22 ? 79 A 4 -ATOM 1235 H HE . ARG A1 1 79 ? -35.2 12.937 -30.201 1.0 63.2 ? 79 A 4 -ATOM 1236 H HH11 . ARG A1 1 79 ? -33.969 9.793 -29.353 1.0 0.03 ? 79 A 4 -ATOM 1237 H HH12 . ARG A1 1 79 ? -35.352 9.365 -28.4 1.0 54.33 ? 79 A 4 -ATOM 1238 H HH21 . ARG A1 1 79 ? -37.026 12.385 -28.95 1.0 72.3 ? 79 A 4 -ATOM 1239 H HH22 . ARG A1 1 79 ? -37.09 10.84 -28.172 1.0 2.44 ? 79 A 4 -ATOM 1240 N N . GLY A1 1 80 ? -29.313 11.737 -34.052 1.0 11.03 ? 80 A 4 -ATOM 1241 C CA . GLY A1 1 80 ? -28.745 11.749 -35.387 1.0 3.12 ? 80 A 4 -ATOM 1242 C C . GLY A1 1 80 ? -28.493 10.354 -35.922 1.0 52.34 ? 80 A 4 -ATOM 1243 O O . GLY A1 1 80 ? -29.216 9.875 -36.795 1.0 43.44 ? 80 A 4 -ATOM 1244 H H . GLY A1 1 80 ? -28.75 11.96 -33.28 1.0 0.24 ? 80 A 4 -ATOM 1245 H HA2 . GLY A1 1 80 ? -29.426 12.26 -36.051 1.0 71.24 ? 80 A 4 -ATOM 1246 H HA3 . GLY A1 1 80 ? -27.809 12.288 -35.364 1.0 43.14 ? 80 A 4 -ATOM 1247 N N . GLY A1 1 81 ? -27.46 9.699 -35.399 1.0 43.34 ? 81 A 4 -ATOM 1248 C CA . GLY A1 1 81 ? -27.131 8.357 -35.844 1.0 20.2 ? 81 A 4 -ATOM 1249 C C . GLY A1 1 81 ? -26.628 8.326 -37.273 1.0 63.23 ? 81 A 4 -ATOM 1250 O O . GLY A1 1 81 ? -26.772 9.302 -38.01 1.0 30.24 ? 81 A 4 -ATOM 1251 H H . GLY A1 1 81 ? -26.918 10.13 -34.706 1.0 11.33 ? 81 A 4 -ATOM 1252 H HA2 . GLY A1 1 81 ? -26.368 7.952 -35.196 1.0 30.51 ? 81 A 4 -ATOM 1253 H HA3 . GLY A1 1 81 ? -28.015 7.74 -35.772 1.0 55.14 ? 81 A 4 -ATOM 1254 N N . VAL A1 1 82 ? -26.036 7.204 -37.667 1.0 30.52 ? 82 A 4 -ATOM 1255 C CA . VAL A1 1 82 ? -25.509 7.05 -39.018 1.0 4.45 ? 82 A 4 -ATOM 1256 C C . VAL A1 1 82 ? -26.263 5.967 -39.782 1.0 63.52 ? 82 A 4 -ATOM 1257 O O . VAL A1 1 82 ? -26.525 6.104 -40.977 1.0 12.52 ? 82 A 4 -ATOM 1258 C CB . VAL A1 1 82 ? -24.01 6.699 -38.999 1.0 53.54 ? 82 A 4 -ATOM 1259 C CG1 . VAL A1 1 82 ? -23.79 5.325 -38.385 1.0 33.31 ? 82 A 4 -ATOM 1260 C CG2 . VAL A1 1 82 ? -23.43 6.764 -40.404 1.0 1.13 ? 82 A 4 -ATOM 1261 H H . VAL A1 1 82 ? -25.952 6.46 -37.034 1.0 42.11 ? 82 A 4 -ATOM 1262 H HA . VAL A1 1 82 ? -25.631 7.992 -39.533 1.0 65.12 ? 82 A 4 -ATOM 1263 H HB . VAL A1 1 82 ? -23.498 7.428 -38.387 1.0 3.02 ? 82 A 4 -ATOM 1264 H HG11 . VAL A1 1 82 ? -24.437 5.206 -37.529 1.0 71.54 ? 82 A 4 -ATOM 1265 H HG12 . VAL A1 1 82 ? -24.016 4.563 -39.117 1.0 43.52 ? 82 A 4 -ATOM 1266 H HG13 . VAL A1 1 82 ? -22.76 5.231 -38.074 1.0 60.31 ? 82 A 4 -ATOM 1267 H HG21 . VAL A1 1 82 ? -23.442 7.786 -40.752 1.0 51.1 ? 82 A 4 -ATOM 1268 H HG22 . VAL A1 1 82 ? -22.414 6.399 -40.391 1.0 43.42 ? 82 A 4 -ATOM 1269 H HG23 . VAL A1 1 82 ? -24.024 6.152 -41.067 1.0 61.21 ? 82 A 4 -ATOM 1 N N . GLY A1 1 1 ? -7.895 -5.399 -4.914 1.0 13.0 ? 1 A 5 -ATOM 2 C CA . GLY A1 1 1 ? -7.708 -4.184 -4.141 1.0 45.03 ? 1 A 5 -ATOM 3 C C . GLY A1 1 1 ? -6.451 -3.434 -4.534 1.0 65.21 ? 1 A 5 -ATOM 4 O O . GLY A1 1 1 ? -5.48 -3.37 -3.78 1.0 33.34 ? 1 A 5 -ATOM 5 H H1 . GLY A1 1 1 ? -7.317 -6.174 -4.752 1.0 52.4 ? 1 A 5 -ATOM 6 H HA2 . GLY A1 1 1 ? -8.561 -3.54 -4.292 1.0 14.15 ? 1 A 5 -ATOM 7 H HA3 . GLY A1 1 1 ? -7.646 -4.443 -3.094 1.0 34.23 ? 1 A 5 -ATOM 8 N N . PRO A1 1 2 ? -6.458 -2.851 -5.742 1.0 55.32 ? 2 A 5 -ATOM 9 C CA . PRO A1 1 2 ? -5.316 -2.093 -6.262 1.0 21.43 ? 2 A 5 -ATOM 10 C C . PRO A1 1 2 ? -5.108 -0.777 -5.519 1.0 41.45 ? 2 A 5 -ATOM 11 O O . PRO A1 1 2 ? -5.823 -0.472 -4.564 1.0 62.42 ? 2 A 5 -ATOM 12 C CB . PRO A1 1 2 ? -5.7 -1.83 -7.72 1.0 51.45 ? 2 A 5 -ATOM 13 C CG . PRO A1 1 2 ? -7.189 -1.876 -7.735 1.0 43.11 ? 2 A 5 -ATOM 14 C CD . PRO A1 1 2 ? -7.581 -2.888 -6.693 1.0 64.14 ? 2 A 5 -ATOM 15 H HA . PRO A1 1 2 ? -4.406 -2.673 -6.226 1.0 31.54 ? 2 A 5 -ATOM 16 H HB2 . PRO A1 1 2 ? -5.331 -0.859 -8.022 1.0 42.4 ? 2 A 5 -ATOM 17 H HB3 . PRO A1 1 2 ? -5.275 -2.595 -8.352 1.0 62.54 ? 2 A 5 -ATOM 18 H HG2 . PRO A1 1 2 ? -7.589 -0.906 -7.485 1.0 3.22 ? 2 A 5 -ATOM 19 H HG3 . PRO A1 1 2 ? -7.536 -2.188 -8.709 1.0 51.14 ? 2 A 5 -ATOM 20 H HD2 . PRO A1 1 2 ? -8.503 -2.596 -6.213 1.0 11.0 ? 2 A 5 -ATOM 21 H HD3 . PRO A1 1 2 ? -7.679 -3.868 -7.137 1.0 24.12 ? 2 A 5 -ATOM 22 N N . LEU A1 1 3 ? -4.127 -0.001 -5.965 1.0 34.12 ? 3 A 5 -ATOM 23 C CA . LEU A1 1 3 ? -3.825 1.284 -5.343 1.0 54.03 ? 3 A 5 -ATOM 24 C C . LEU A1 1 3 ? -3.705 2.383 -6.394 1.0 63.21 ? 3 A 5 -ATOM 25 O O . LEU A1 1 3 ? -3.364 2.119 -7.546 1.0 11.24 ? 3 A 5 -ATOM 26 C CB . LEU A1 1 3 ? -2.529 1.19 -4.536 1.0 60.12 ? 3 A 5 -ATOM 27 C CG . LEU A1 1 3 ? -2.679 1.248 -3.015 1.0 64.13 ? 3 A 5 -ATOM 28 C CD1 . LEU A1 1 3 ? -2.66 -0.153 -2.424 1.0 62.25 ? 3 A 5 -ATOM 29 C CD2 . LEU A1 1 3 ? -1.579 2.102 -2.403 1.0 0.12 ? 3 A 5 -ATOM 30 H H . LEU A1 1 3 ? -3.592 -0.297 -6.73 1.0 52.35 ? 3 A 5 -ATOM 31 H HA . LEU A1 1 3 ? -4.638 1.528 -4.676 1.0 43.13 ? 3 A 5 -ATOM 32 H HB2 . LEU A1 1 3 ? -2.051 0.255 -4.786 1.0 74.24 ? 3 A 5 -ATOM 33 H HB3 . LEU A1 1 3 ? -1.892 2.01 -4.838 1.0 72.41 ? 3 A 5 -ATOM 34 H HG . LEU A1 1 3 ? -3.631 1.7 -2.771 1.0 43.5 ? 3 A 5 -ATOM 35 H HD11 . LEU A1 1 3 ? -3.389 -0.767 -2.93 1.0 50.45 ? 3 A 5 -ATOM 36 H HD12 . LEU A1 1 3 ? -2.9 -0.103 -1.372 1.0 4.34 ? 3 A 5 -ATOM 37 H HD13 . LEU A1 1 3 ? -1.677 -0.583 -2.548 1.0 54.42 ? 3 A 5 -ATOM 38 H HD21 . LEU A1 1 3 ? -0.633 1.59 -2.494 1.0 23.33 ? 3 A 5 -ATOM 39 H HD22 . LEU A1 1 3 ? -1.797 2.275 -1.359 1.0 1.01 ? 3 A 5 -ATOM 40 H HD23 . LEU A1 1 3 ? -1.529 3.049 -2.921 1.0 75.24 ? 3 A 5 -ATOM 41 N N . GLY A1 1 4 ? -3.985 3.617 -5.987 1.0 4.21 ? 4 A 5 -ATOM 42 C CA . GLY A1 1 4 ? -3.901 4.738 -6.905 1.0 43.34 ? 4 A 5 -ATOM 43 C C . GLY A1 1 4 ? -5.136 4.87 -7.774 1.0 32.24 ? 4 A 5 -ATOM 44 O O . GLY A1 1 4 ? -6.26 4.721 -7.295 1.0 73.31 ? 4 A 5 -ATOM 45 H H . GLY A1 1 4 ? -4.252 3.768 -5.056 1.0 2.13 ? 4 A 5 -ATOM 46 H HA2 . GLY A1 1 4 ? -3.776 5.647 -6.335 1.0 53.5 ? 4 A 5 -ATOM 47 H HA3 . GLY A1 1 4 ? -3.039 4.602 -7.542 1.0 61.41 ? 4 A 5 -ATOM 48 N N . SER A1 1 5 ? -4.928 5.151 -9.056 1.0 14.33 ? 5 A 5 -ATOM 49 C CA . SER A1 1 5 ? -6.033 5.309 -9.994 1.0 12.42 ? 5 A 5 -ATOM 50 C C . SER A1 1 5 ? -6.923 6.482 -9.593 1.0 43.22 ? 5 A 5 -ATOM 51 O O . SER A1 1 5 ? -6.816 7.004 -8.484 1.0 33.52 ? 5 A 5 -ATOM 52 C CB . SER A1 1 5 ? -6.862 4.024 -10.058 1.0 72.02 ? 5 A 5 -ATOM 53 O OG . SER A1 1 5 ? -6.824 3.457 -11.356 1.0 21.35 ? 5 A 5 -ATOM 54 H H . SER A1 1 5 ? -4.008 5.258 -9.379 1.0 31.12 ? 5 A 5 -ATOM 55 H HA . SER A1 1 5 ? -5.615 5.506 -10.97 1.0 12.32 ? 5 A 5 -ATOM 56 H HB2 . SER A1 1 5 ? -6.467 3.308 -9.354 1.0 41.01 ? 5 A 5 -ATOM 57 H HB3 . SER A1 1 5 ? -7.888 4.248 -9.806 1.0 74.13 ? 5 A 5 -ATOM 58 H HG . SER A1 1 5 ? -7.695 3.124 -11.586 1.0 33.45 ? 5 A 5 -ATOM 59 N N . MET A1 1 6 ? -7.8 6.89 -10.504 1.0 14.01 ? 6 A 5 -ATOM 60 C CA . MET A1 1 6 ? -8.709 8.0 -10.246 1.0 54.33 ? 6 A 5 -ATOM 61 C C . MET A1 1 6 ? -10.032 7.801 -10.978 1.0 31.44 ? 6 A 5 -ATOM 62 O O . MET A1 1 6 ? -10.26 6.76 -11.593 1.0 1.11 ? 6 A 5 -ATOM 63 C CB . MET A1 1 6 ? -8.069 9.322 -10.675 1.0 70.21 ? 6 A 5 -ATOM 64 C CG . MET A1 1 6 ? -7.267 9.219 -11.962 1.0 25.05 ? 6 A 5 -ATOM 65 S SD . MET A1 1 6 ? -5.524 8.865 -11.667 1.0 3.44 ? 6 A 5 -ATOM 66 C CE . MET A1 1 6 ? -4.759 10.328 -12.363 1.0 13.21 ? 6 A 5 -ATOM 67 H H . MET A1 1 6 ? -7.838 6.433 -11.371 1.0 2.32 ? 6 A 5 -ATOM 68 H HA . MET A1 1 6 ? -8.9 8.031 -9.183 1.0 5.22 ? 6 A 5 -ATOM 69 H HB2 . MET A1 1 6 ? -8.848 10.055 -10.819 1.0 62.43 ? 6 A 5 -ATOM 70 H HB3 . MET A1 1 6 ? -7.408 9.66 -9.891 1.0 63.34 ? 6 A 5 -ATOM 71 H HG2 . MET A1 1 6 ? -7.682 8.427 -12.567 1.0 33.13 ? 6 A 5 -ATOM 72 H HG3 . MET A1 1 6 ? -7.346 10.155 -12.494 1.0 12.41 ? 6 A 5 -ATOM 73 H HE1 . MET A1 1 6 ? -4.584 10.175 -13.418 1.0 12.23 ? 6 A 5 -ATOM 74 H HE2 . MET A1 1 6 ? -5.414 11.176 -12.226 1.0 52.54 ? 6 A 5 -ATOM 75 H HE3 . MET A1 1 6 ? -3.819 10.514 -11.865 1.0 2.41 ? 6 A 5 -ATOM 76 N N . GLN A1 1 7 ? -10.9 8.805 -10.906 1.0 13.12 ? 7 A 5 -ATOM 77 C CA . GLN A1 1 7 ? -12.201 8.738 -11.562 1.0 13.2 ? 7 A 5 -ATOM 78 C C . GLN A1 1 7 ? -12.551 10.072 -12.213 1.0 42.42 ? 7 A 5 -ATOM 79 O O . GLN A1 1 7 ? -12.021 11.116 -11.835 1.0 71.33 ? 7 A 5 -ATOM 80 C CB . GLN A1 1 7 ? -13.284 8.349 -10.554 1.0 42.01 ? 7 A 5 -ATOM 81 C CG . GLN A1 1 7 ? -12.85 7.264 -9.582 1.0 12.34 ? 7 A 5 -ATOM 82 C CD . GLN A1 1 7 ? -13.875 7.01 -8.494 1.0 44.31 ? 7 A 5 -ATOM 83 O OE1 . GLN A1 1 7 ? -15.08 7.103 -8.728 1.0 33.44 ? 7 A 5 -ATOM 84 N NE2 . GLN A1 1 7 ? -13.401 6.687 -7.297 1.0 73.32 ? 7 A 5 -ATOM 85 H H . GLN A1 1 7 ? -10.661 9.609 -10.4 1.0 71.21 ? 7 A 5 -ATOM 86 H HA . GLN A1 1 7 ? -12.147 7.98 -12.328 1.0 62.03 ? 7 A 5 -ATOM 87 H HB2 . GLN A1 1 7 ? -13.56 9.224 -9.984 1.0 13.25 ? 7 A 5 -ATOM 88 H HB3 . GLN A1 1 7 ? -14.149 7.993 -11.093 1.0 41.42 ? 7 A 5 -ATOM 89 H HG2 . GLN A1 1 7 ? -12.696 6.347 -10.131 1.0 43.33 ? 7 A 5 -ATOM 90 H HG3 . GLN A1 1 7 ? -11.922 7.565 -9.118 1.0 33.21 ? 7 A 5 -ATOM 91 H HE21 . GLN A1 1 7 ? -12.428 6.634 -7.184 1.0 52.01 ? 7 A 5 -ATOM 92 H HE22 . GLN A1 1 7 ? -14.041 6.519 -6.576 1.0 55.43 ? 7 A 5 -ATOM 93 N N . ILE A1 1 8 ? -13.447 10.028 -13.194 1.0 12.12 ? 8 A 5 -ATOM 94 C CA . ILE A1 1 8 ? -13.868 11.233 -13.897 1.0 64.2 ? 8 A 5 -ATOM 95 C C . ILE A1 1 8 ? -15.388 11.334 -13.954 1.0 0.33 ? 8 A 5 -ATOM 96 O O . ILE A1 1 8 ? -16.093 10.334 -13.818 1.0 11.35 ? 8 A 5 -ATOM 97 C CB . ILE A1 1 8 ? -13.309 11.272 -15.332 1.0 65.34 ? 8 A 5 -ATOM 98 C CG1 . ILE A1 1 8 ? -12.467 10.025 -15.609 1.0 72.33 ? 8 A 5 -ATOM 99 C CG2 . ILE A1 1 8 ? -12.484 12.533 -15.545 1.0 55.24 ? 8 A 5 -ATOM 100 C CD1 . ILE A1 1 8 ? -12.044 9.889 -17.055 1.0 11.02 ? 8 A 5 -ATOM 101 H H . ILE A1 1 8 ? -13.834 9.165 -13.45 1.0 43.45 ? 8 A 5 -ATOM 102 H HA . ILE A1 1 8 ? -13.48 12.086 -13.358 1.0 41.41 ? 8 A 5 -ATOM 103 H HB . ILE A1 1 8 ? -14.141 11.295 -16.018 1.0 13.24 ? 8 A 5 -ATOM 104 H HG12 . ILE A1 1 8 ? -11.573 10.06 -15.005 1.0 4.11 ? 8 A 5 -ATOM 105 H HG13 . ILE A1 1 8 ? -13.04 9.148 -15.346 1.0 33.41 ? 8 A 5 -ATOM 106 H HG21 . ILE A1 1 8 ? -11.753 12.358 -16.321 1.0 12.11 ? 8 A 5 -ATOM 107 H HG22 . ILE A1 1 8 ? -13.134 13.342 -15.84 1.0 14.43 ? 8 A 5 -ATOM 108 H HG23 . ILE A1 1 8 ? -11.979 12.793 -14.627 1.0 53.13 ? 8 A 5 -ATOM 109 H HD11 . ILE A1 1 8 ? -10.984 9.684 -17.102 1.0 4.51 ? 8 A 5 -ATOM 110 H HD12 . ILE A1 1 8 ? -12.588 9.077 -17.514 1.0 22.53 ? 8 A 5 -ATOM 111 H HD13 . ILE A1 1 8 ? -12.256 10.809 -17.58 1.0 32.23 ? 8 A 5 -ATOM 112 N N . PHE A1 1 9 ? -15.888 12.549 -14.155 1.0 44.42 ? 9 A 5 -ATOM 113 C CA . PHE A1 1 9 ? -17.326 12.781 -14.231 1.0 45.42 ? 9 A 5 -ATOM 114 C C . PHE A1 1 9 ? -17.737 13.193 -15.641 1.0 62.05 ? 9 A 5 -ATOM 115 O O . PHE A1 1 9 ? -17.195 14.144 -16.205 1.0 33.13 ? 9 A 5 -ATOM 116 C CB . PHE A1 1 9 ? -17.742 13.861 -13.23 1.0 42.3 ? 9 A 5 -ATOM 117 C CG . PHE A1 1 9 ? -18.346 13.31 -11.97 1.0 44.44 ? 9 A 5 -ATOM 118 C CD1 . PHE A1 1 9 ? -19.615 12.753 -11.981 1.0 24.21 ? 9 A 5 -ATOM 119 C CD2 . PHE A1 1 9 ? -17.646 13.349 -10.775 1.0 24.11 ? 9 A 5 -ATOM 120 C CE1 . PHE A1 1 9 ? -20.174 12.244 -10.823 1.0 54.33 ? 9 A 5 -ATOM 121 C CE2 . PHE A1 1 9 ? -18.2 12.842 -9.615 1.0 62.43 ? 9 A 5 -ATOM 122 C CZ . PHE A1 1 9 ? -19.466 12.29 -9.639 1.0 72.21 ? 9 A 5 -ATOM 123 H H . PHE A1 1 9 ? -15.275 13.307 -14.256 1.0 15.35 ? 9 A 5 -ATOM 124 H HA . PHE A1 1 9 ? -17.823 11.858 -13.979 1.0 72.15 ? 9 A 5 -ATOM 125 H HB2 . PHE A1 1 9 ? -16.874 14.441 -12.954 1.0 13.22 ? 9 A 5 -ATOM 126 H HB3 . PHE A1 1 9 ? -18.471 14.509 -13.693 1.0 20.44 ? 9 A 5 -ATOM 127 H HD1 . PHE A1 1 9 ? -20.171 12.717 -12.907 1.0 63.23 ? 9 A 5 -ATOM 128 H HD2 . PHE A1 1 9 ? -16.656 13.781 -10.755 1.0 43.5 ? 9 A 5 -ATOM 129 H HE1 . PHE A1 1 9 ? -21.164 11.814 -10.846 1.0 53.21 ? 9 A 5 -ATOM 130 H HE2 . PHE A1 1 9 ? -17.644 12.879 -8.69 1.0 61.25 ? 9 A 5 -ATOM 131 H HZ . PHE A1 1 9 ? -19.9 11.892 -8.733 1.0 11.33 ? 9 A 5 -ATOM 132 N N . VAL A1 1 10 ? -18.7 12.471 -16.205 1.0 35.51 ? 10 A 5 -ATOM 133 C CA . VAL A1 1 10 ? -19.185 12.76 -17.549 1.0 51.35 ? 10 A 5 -ATOM 134 C C . VAL A1 1 10 ? -20.647 13.191 -17.524 1.0 20.3 ? 10 A 5 -ATOM 135 O O . VAL A1 1 10 ? -21.5 12.502 -16.964 1.0 33.54 ? 10 A 5 -ATOM 136 C CB . VAL A1 1 10 ? -19.037 11.538 -18.475 1.0 1.24 ? 10 A 5 -ATOM 137 C CG1 . VAL A1 1 10 ? -19.034 11.97 -19.933 1.0 43.55 ? 10 A 5 -ATOM 138 C CG2 . VAL A1 1 10 ? -17.772 10.764 -18.136 1.0 70.41 ? 10 A 5 -ATOM 139 H H . VAL A1 1 10 ? -19.093 11.726 -15.705 1.0 13.11 ? 10 A 5 -ATOM 140 H HA . VAL A1 1 10 ? -18.589 13.566 -17.953 1.0 52.2 ? 10 A 5 -ATOM 141 H HB . VAL A1 1 10 ? -19.885 10.888 -18.317 1.0 21.21 ? 10 A 5 -ATOM 142 H HG11 . VAL A1 1 10 ? -20.023 12.3 -20.213 1.0 75.22 ? 10 A 5 -ATOM 143 H HG12 . VAL A1 1 10 ? -18.331 12.78 -20.068 1.0 54.41 ? 10 A 5 -ATOM 144 H HG13 . VAL A1 1 10 ? -18.745 11.135 -20.555 1.0 61.31 ? 10 A 5 -ATOM 145 H HG21 . VAL A1 1 10 ? -16.936 11.446 -18.081 1.0 13.24 ? 10 A 5 -ATOM 146 H HG22 . VAL A1 1 10 ? -17.897 10.269 -17.185 1.0 62.44 ? 10 A 5 -ATOM 147 H HG23 . VAL A1 1 10 ? -17.584 10.027 -18.904 1.0 2.35 ? 10 A 5 -ATOM 148 N N . LYS A1 1 11 ? -20.931 14.336 -18.136 1.0 23.3 ? 11 A 5 -ATOM 149 C CA . LYS A1 1 11 ? -22.291 14.86 -18.187 1.0 10.31 ? 11 A 5 -ATOM 150 C C . LYS A1 1 11 ? -22.886 14.695 -19.582 1.0 22.12 ? 11 A 5 -ATOM 151 O O . LYS A1 1 11 ? -22.432 15.322 -20.54 1.0 63.21 ? 11 A 5 -ATOM 152 C CB . LYS A1 1 11 ? -22.305 16.337 -17.786 1.0 34.41 ? 11 A 5 -ATOM 153 C CG . LYS A1 1 11 ? -23.622 17.035 -18.083 1.0 63.11 ? 11 A 5 -ATOM 154 C CD . LYS A1 1 11 ? -23.578 18.5 -17.684 1.0 3.15 ? 11 A 5 -ATOM 155 C CE . LYS A1 1 11 ? -23.18 19.385 -18.855 1.0 2.52 ? 11 A 5 -ATOM 156 N NZ . LYS A1 1 11 ? -23.337 20.831 -18.535 1.0 51.12 ? 11 A 5 -ATOM 157 H H . LYS A1 1 11 ? -20.208 14.841 -18.565 1.0 4.15 ? 11 A 5 -ATOM 158 H HA . LYS A1 1 11 ? -22.889 14.299 -17.485 1.0 44.21 ? 11 A 5 -ATOM 159 H HB2 . LYS A1 1 11 ? -22.113 16.412 -16.726 1.0 75.01 ? 11 A 5 -ATOM 160 H HB3 . LYS A1 1 11 ? -21.521 16.851 -18.323 1.0 15.43 ? 11 A 5 -ATOM 161 H HG2 . LYS A1 1 11 ? -23.824 16.967 -19.141 1.0 73.24 ? 11 A 5 -ATOM 162 H HG3 . LYS A1 1 11 ? -24.411 16.544 -17.531 1.0 30.03 ? 11 A 5 -ATOM 163 H HD2 . LYS A1 1 11 ? -24.557 18.799 -17.338 1.0 63.51 ? 11 A 5 -ATOM 164 H HD3 . LYS A1 1 11 ? -22.859 18.626 -16.887 1.0 61.22 ? 11 A 5 -ATOM 165 H HE2 . LYS A1 1 11 ? -22.148 19.19 -19.102 1.0 70.24 ? 11 A 5 -ATOM 166 H HE3 . LYS A1 1 11 ? -23.805 19.142 -19.701 1.0 3.13 ? 11 A 5 -ATOM 167 H HZ1 . LYS A1 1 11 ? -23.966 21.284 -19.228 1.0 1.34 ? 11 A 5 -ATOM 168 H HZ2 . LYS A1 1 11 ? -22.411 21.305 -18.561 1.0 61.44 ? 11 A 5 -ATOM 169 H HZ3 . LYS A1 1 11 ? -23.745 20.945 -17.586 1.0 12.11 ? 11 A 5 -ATOM 170 N N . THR A1 1 12 ? -23.905 13.848 -19.689 1.0 60.33 ? 12 A 5 -ATOM 171 C CA . THR A1 1 12 ? -24.562 13.601 -20.967 1.0 63.11 ? 12 A 5 -ATOM 172 C C . THR A1 1 12 ? -25.429 14.786 -21.377 1.0 63.2 ? 12 A 5 -ATOM 173 O O . THR A1 1 12 ? -25.79 15.622 -20.547 1.0 23.14 ? 12 A 5 -ATOM 174 C CB . THR A1 1 12 ? -25.436 12.334 -20.913 1.0 13.53 ? 12 A 5 -ATOM 175 O OG1 . THR A1 1 12 ? -26.489 12.505 -19.957 1.0 44.22 ? 12 A 5 -ATOM 176 C CG2 . THR A1 1 12 ? -24.602 11.117 -20.544 1.0 44.25 ? 12 A 5 -ATOM 177 H H . THR A1 1 12 ? -24.221 13.379 -18.889 1.0 50.31 ? 12 A 5 -ATOM 178 H HA . THR A1 1 12 ? -23.796 13.453 -21.713 1.0 15.31 ? 12 A 5 -ATOM 179 H HB . THR A1 1 12 ? -25.87 12.173 -21.889 1.0 3.11 ? 12 A 5 -ATOM 180 H HG1 . THR A1 1 12 ? -27.121 11.787 -20.044 1.0 54.01 ? 12 A 5 -ATOM 181 H HG21 . THR A1 1 12 ? -23.687 11.438 -20.071 1.0 54.24 ? 12 A 5 -ATOM 182 H HG22 . THR A1 1 12 ? -24.369 10.556 -21.437 1.0 51.32 ? 12 A 5 -ATOM 183 H HG23 . THR A1 1 12 ? -25.16 10.492 -19.862 1.0 74.05 ? 12 A 5 -ATOM 184 N N . LEU A1 1 13 ? -25.763 14.852 -22.661 1.0 74.21 ? 13 A 5 -ATOM 185 C CA . LEU A1 1 13 ? -26.589 15.936 -23.182 1.0 74.52 ? 13 A 5 -ATOM 186 C C . LEU A1 1 13 ? -27.943 15.974 -22.479 1.0 25.21 ? 13 A 5 -ATOM 187 O O . LEU A1 1 13 ? -28.638 16.991 -22.501 1.0 11.35 ? 13 A 5 -ATOM 188 C CB . LEU A1 1 13 ? -26.789 15.771 -24.69 1.0 31.51 ? 13 A 5 -ATOM 189 C CG . LEU A1 1 13 ? -27.448 16.947 -25.411 1.0 30.32 ? 13 A 5 -ATOM 190 C CD1 . LEU A1 1 13 ? -26.578 18.19 -25.312 1.0 44.31 ? 13 A 5 -ATOM 191 C CD2 . LEU A1 1 13 ? -27.716 16.597 -26.868 1.0 64.01 ? 13 A 5 -ATOM 192 H H . LEU A1 1 13 ? -25.446 14.157 -23.274 1.0 42.02 ? 13 A 5 -ATOM 193 H HA . LEU A1 1 13 ? -26.073 16.866 -22.995 1.0 34.1 ? 13 A 5 -ATOM 194 H HB2 . LEU A1 1 13 ? -25.82 15.611 -25.136 1.0 62.11 ? 13 A 5 -ATOM 195 H HB3 . LEU A1 1 13 ? -27.406 14.898 -24.847 1.0 43.21 ? 13 A 5 -ATOM 196 H HG . LEU A1 1 13 ? -28.396 17.166 -24.939 1.0 45.4 ? 13 A 5 -ATOM 197 H HD11 . LEU A1 1 13 ? -26.656 18.759 -26.226 1.0 62.23 ? 13 A 5 -ATOM 198 H HD12 . LEU A1 1 13 ? -25.55 17.898 -25.156 1.0 23.44 ? 13 A 5 -ATOM 199 H HD13 . LEU A1 1 13 ? -26.909 18.796 -24.481 1.0 25.55 ? 13 A 5 -ATOM 200 H HD21 . LEU A1 1 13 ? -28.554 17.175 -27.229 1.0 62.14 ? 13 A 5 -ATOM 201 H HD22 . LEU A1 1 13 ? -27.943 15.544 -26.948 1.0 41.34 ? 13 A 5 -ATOM 202 H HD23 . LEU A1 1 13 ? -26.84 16.822 -27.459 1.0 51.42 ? 13 A 5 -ATOM 203 N N . THR A1 1 14 ? -28.311 14.86 -21.853 1.0 31.41 ? 14 A 5 -ATOM 204 C CA . THR A1 1 14 ? -29.58 14.767 -21.143 1.0 30.33 ? 14 A 5 -ATOM 205 C C . THR A1 1 14 ? -29.427 15.189 -19.686 1.0 22.13 ? 14 A 5 -ATOM 206 O O . THR A1 1 14 ? -30.345 15.028 -18.883 1.0 5.31 ? 14 A 5 -ATOM 207 C CB . THR A1 1 14 ? -30.148 13.336 -21.194 1.0 34.54 ? 14 A 5 -ATOM 208 O OG1 . THR A1 1 14 ? -29.141 12.395 -20.803 1.0 3.22 ? 14 A 5 -ATOM 209 C CG2 . THR A1 1 14 ? -30.647 13.001 -22.591 1.0 34.11 ? 14 A 5 -ATOM 210 H H . THR A1 1 14 ? -27.714 14.084 -21.872 1.0 2.31 ? 14 A 5 -ATOM 211 H HA . THR A1 1 14 ? -30.283 15.428 -21.628 1.0 25.44 ? 14 A 5 -ATOM 212 H HB . THR A1 1 14 ? -30.978 13.27 -20.505 1.0 55.24 ? 14 A 5 -ATOM 213 H HG1 . THR A1 1 14 ? -29.257 12.168 -19.878 1.0 24.42 ? 14 A 5 -ATOM 214 H HG21 . THR A1 1 14 ? -31.192 13.844 -22.99 1.0 1.02 ? 14 A 5 -ATOM 215 H HG22 . THR A1 1 14 ? -31.299 12.141 -22.544 1.0 12.23 ? 14 A 5 -ATOM 216 H HG23 . THR A1 1 14 ? -29.806 12.781 -23.231 1.0 12.42 ? 14 A 5 -ATOM 217 N N . GLY A1 1 15 ? -28.26 15.732 -19.351 1.0 61.2 ? 15 A 5 -ATOM 218 C CA . GLY A1 1 15 ? -28.008 16.169 -17.991 1.0 25.44 ? 15 A 5 -ATOM 219 C C . GLY A1 1 15 ? -27.898 15.01 -17.02 1.0 2.34 ? 15 A 5 -ATOM 220 O O . GLY A1 1 15 ? -28.627 14.949 -16.029 1.0 24.03 ? 15 A 5 -ATOM 221 H H . GLY A1 1 15 ? -27.564 15.835 -20.034 1.0 73.22 ? 15 A 5 -ATOM 222 H HA2 . GLY A1 1 15 ? -27.087 16.732 -17.97 1.0 10.15 ? 15 A 5 -ATOM 223 H HA3 . GLY A1 1 15 ? -28.818 16.811 -17.676 1.0 23.53 ? 15 A 5 -ATOM 224 N N . LYS A1 1 16 ? -26.986 14.087 -17.304 1.0 11.21 ? 16 A 5 -ATOM 225 C CA . LYS A1 1 16 ? -26.782 12.923 -16.45 1.0 34.13 ? 16 A 5 -ATOM 226 C C . LYS A1 1 16 ? -25.337 12.848 -15.969 1.0 15.24 ? 16 A 5 -ATOM 227 O O . LYS A1 1 16 ? -24.408 12.755 -16.772 1.0 50.04 ? 16 A 5 -ATOM 228 C CB . LYS A1 1 16 ? -27.148 11.642 -17.202 1.0 31.42 ? 16 A 5 -ATOM 229 C CG . LYS A1 1 16 ? -27.723 10.556 -16.31 1.0 73.35 ? 16 A 5 -ATOM 230 C CD . LYS A1 1 16 ? -26.634 9.65 -15.762 1.0 50.3 ? 16 A 5 -ATOM 231 C CE . LYS A1 1 16 ? -26.005 8.807 -16.86 1.0 52.44 ? 16 A 5 -ATOM 232 N NZ . LYS A1 1 16 ? -26.393 7.373 -16.751 1.0 2.53 ? 16 A 5 -ATOM 233 H H . LYS A1 1 16 ? -26.435 14.191 -18.109 1.0 52.54 ? 16 A 5 -ATOM 234 H HA . LYS A1 1 16 ? -27.43 13.024 -15.592 1.0 34.34 ? 16 A 5 -ATOM 235 H HB2 . LYS A1 1 16 ? -27.879 11.88 -17.961 1.0 44.24 ? 16 A 5 -ATOM 236 H HB3 . LYS A1 1 16 ? -26.26 11.253 -17.68 1.0 12.13 ? 16 A 5 -ATOM 237 H HG2 . LYS A1 1 16 ? -28.242 11.018 -15.483 1.0 3.41 ? 16 A 5 -ATOM 238 H HG3 . LYS A1 1 16 ? -28.418 9.96 -16.885 1.0 74.14 ? 16 A 5 -ATOM 239 H HD2 . LYS A1 1 16 ? -25.866 10.258 -15.307 1.0 63.23 ? 16 A 5 -ATOM 240 H HD3 . LYS A1 1 16 ? -27.064 8.993 -15.018 1.0 14.51 ? 16 A 5 -ATOM 241 H HE2 . LYS A1 1 16 ? -26.328 9.186 -17.817 1.0 44.12 ? 16 A 5 -ATOM 242 H HE3 . LYS A1 1 16 ? -24.93 8.886 -16.786 1.0 75.31 ? 16 A 5 -ATOM 243 H HZ1 . LYS A1 1 16 ? -26.096 6.856 -17.603 1.0 61.55 ? 16 A 5 -ATOM 244 H HZ2 . LYS A1 1 16 ? -27.425 7.29 -16.65 1.0 23.15 ? 16 A 5 -ATOM 245 H HZ3 . LYS A1 1 16 ? -25.94 6.942 -15.92 1.0 43.23 ? 16 A 5 -ATOM 246 N N . THR A1 1 17 ? -25.153 12.887 -14.653 1.0 33.03 ? 17 A 5 -ATOM 247 C CA . THR A1 1 17 ? -23.821 12.823 -14.065 1.0 61.21 ? 17 A 5 -ATOM 248 C C . THR A1 1 17 ? -23.406 11.38 -13.798 1.0 13.11 ? 17 A 5 -ATOM 249 O O . THR A1 1 17 ? -24.052 10.672 -13.025 1.0 32.24 ? 17 A 5 -ATOM 250 C CB . THR A1 1 17 ? -23.749 13.617 -12.747 1.0 22.54 ? 17 A 5 -ATOM 251 O OG1 . THR A1 1 17 ? -25.058 13.743 -12.179 1.0 24.32 ? 17 A 5 -ATOM 252 C CG2 . THR A1 1 17 ? -23.157 14.999 -12.979 1.0 72.42 ? 17 A 5 -ATOM 253 H H . THR A1 1 17 ? -25.933 12.962 -14.064 1.0 63.53 ? 17 A 5 -ATOM 254 H HA . THR A1 1 17 ? -23.126 13.264 -14.765 1.0 15.15 ? 17 A 5 -ATOM 255 H HB . THR A1 1 17 ? -23.115 13.081 -12.055 1.0 61.22 ? 17 A 5 -ATOM 256 H HG1 . THR A1 1 17 ? -25.121 13.192 -11.395 1.0 54.0 ? 17 A 5 -ATOM 257 H HG21 . THR A1 1 17 ? -22.149 15.028 -12.592 1.0 31.34 ? 17 A 5 -ATOM 258 H HG22 . THR A1 1 17 ? -23.758 15.739 -12.472 1.0 12.24 ? 17 A 5 -ATOM 259 H HG23 . THR A1 1 17 ? -23.142 15.211 -14.038 1.0 74.01 ? 17 A 5 -ATOM 260 N N . ILE A1 1 18 ? -22.326 10.951 -14.443 1.0 21.15 ? 18 A 5 -ATOM 261 C CA . ILE A1 1 18 ? -21.826 9.593 -14.273 1.0 42.23 ? 18 A 5 -ATOM 262 C C . ILE A1 1 18 ? -20.361 9.596 -13.85 1.0 2.02 ? 18 A 5 -ATOM 263 O O . ILE A1 1 18 ? -19.573 10.428 -14.303 1.0 34.24 ? 18 A 5 -ATOM 264 C CB . ILE A1 1 18 ? -21.972 8.773 -15.569 1.0 20.13 ? 18 A 5 -ATOM 265 C CG1 . ILE A1 1 18 ? -21.212 7.451 -15.45 1.0 0.43 ? 18 A 5 -ATOM 266 C CG2 . ILE A1 1 18 ? -21.471 9.573 -16.762 1.0 34.34 ? 18 A 5 -ATOM 267 C CD1 . ILE A1 1 18 ? -21.452 6.51 -16.609 1.0 41.12 ? 18 A 5 -ATOM 268 H H . ILE A1 1 18 ? -21.855 11.563 -15.046 1.0 72.35 ? 18 A 5 -ATOM 269 H HA . ILE A1 1 18 ? -22.411 9.116 -13.501 1.0 33.1 ? 18 A 5 -ATOM 270 H HB . ILE A1 1 18 ? -23.02 8.565 -15.72 1.0 55.23 ? 18 A 5 -ATOM 271 H HG12 . ILE A1 1 18 ? -20.154 7.654 -15.402 1.0 35.45 ? 18 A 5 -ATOM 272 H HG13 . ILE A1 1 18 ? -21.519 6.948 -14.544 1.0 15.51 ? 18 A 5 -ATOM 273 H HG21 . ILE A1 1 18 ? -22.204 10.322 -17.026 1.0 31.24 ? 18 A 5 -ATOM 274 H HG22 . ILE A1 1 18 ? -20.541 10.057 -16.505 1.0 60.32 ? 18 A 5 -ATOM 275 H HG23 . ILE A1 1 18 ? -21.314 8.911 -17.599 1.0 71.44 ? 18 A 5 -ATOM 276 H HD11 . ILE A1 1 18 ? -21.975 7.034 -17.396 1.0 32.31 ? 18 A 5 -ATOM 277 H HD12 . ILE A1 1 18 ? -20.505 6.151 -16.985 1.0 60.24 ? 18 A 5 -ATOM 278 H HD13 . ILE A1 1 18 ? -22.048 5.673 -16.277 1.0 25.35 ? 18 A 5 -ATOM 279 N N . THR A1 1 19 ? -20.0 8.659 -12.979 1.0 42.32 ? 19 A 5 -ATOM 280 C CA . THR A1 1 19 ? -18.629 8.552 -12.495 1.0 41.24 ? 19 A 5 -ATOM 281 C C . THR A1 1 19 ? -17.974 7.264 -12.978 1.0 70.21 ? 19 A 5 -ATOM 282 O O . THR A1 1 19 ? -18.594 6.2 -12.97 1.0 44.42 ? 19 A 5 -ATOM 283 C CB . THR A1 1 19 ? -18.572 8.598 -10.956 1.0 2.4 ? 19 A 5 -ATOM 284 O OG1 . THR A1 1 19 ? -19.813 9.087 -10.434 1.0 22.32 ? 19 A 5 -ATOM 285 C CG2 . THR A1 1 19 ? -17.432 9.487 -10.483 1.0 13.14 ? 19 A 5 -ATOM 286 H H . THR A1 1 19 ? -20.673 8.025 -12.655 1.0 1.15 ? 19 A 5 -ATOM 287 H HA . THR A1 1 19 ? -18.073 9.395 -12.88 1.0 65.43 ? 19 A 5 -ATOM 288 H HB . THR A1 1 19 ? -18.405 7.596 -10.587 1.0 44.24 ? 19 A 5 -ATOM 289 H HG1 . THR A1 1 19 ? -19.991 8.668 -9.588 1.0 60.25 ? 19 A 5 -ATOM 290 H HG21 . THR A1 1 19 ? -17.631 9.821 -9.476 1.0 73.33 ? 19 A 5 -ATOM 291 H HG22 . THR A1 1 19 ? -17.348 10.343 -11.136 1.0 23.45 ? 19 A 5 -ATOM 292 H HG23 . THR A1 1 19 ? -16.508 8.928 -10.501 1.0 51.03 ? 19 A 5 -ATOM 293 N N . ILE A1 1 20 ? -16.717 7.366 -13.398 1.0 2.13 ? 20 A 5 -ATOM 294 C CA . ILE A1 1 20 ? -15.978 6.208 -13.883 1.0 23.24 ? 20 A 5 -ATOM 295 C C . ILE A1 1 20 ? -14.516 6.268 -13.452 1.0 21.51 ? 20 A 5 -ATOM 296 O O . ILE A1 1 20 ? -13.856 7.296 -13.604 1.0 3.54 ? 20 A 5 -ATOM 297 C CB . ILE A1 1 20 ? -16.044 6.099 -15.418 1.0 55.55 ? 20 A 5 -ATOM 298 C CG1 . ILE A1 1 20 ? -16.023 7.492 -16.05 1.0 1.5 ? 20 A 5 -ATOM 299 C CG2 . ILE A1 1 20 ? -17.292 5.338 -15.841 1.0 1.32 ? 20 A 5 -ATOM 300 C CD1 . ILE A1 1 20 ? -15.282 7.547 -17.368 1.0 2.4 ? 20 A 5 -ATOM 301 H H . ILE A1 1 20 ? -16.277 8.241 -13.38 1.0 32.52 ? 20 A 5 -ATOM 302 H HA . ILE A1 1 20 ? -16.43 5.322 -13.459 1.0 40.32 ? 20 A 5 -ATOM 303 H HB . ILE A1 1 20 ? -15.182 5.545 -15.755 1.0 75.22 ? 20 A 5 -ATOM 304 H HG12 . ILE A1 1 20 ? -17.037 7.816 -16.227 1.0 4.24 ? 20 A 5 -ATOM 305 H HG13 . ILE A1 1 20 ? -15.543 8.181 -15.37 1.0 20.02 ? 20 A 5 -ATOM 306 H HG21 . ILE A1 1 20 ? -17.127 4.887 -16.808 1.0 41.11 ? 20 A 5 -ATOM 307 H HG22 . ILE A1 1 20 ? -17.506 4.567 -15.117 1.0 51.34 ? 20 A 5 -ATOM 308 H HG23 . ILE A1 1 20 ? -18.127 6.02 -15.9 1.0 74.34 ? 20 A 5 -ATOM 309 H HD11 . ILE A1 1 20 ? -15.586 8.427 -17.916 1.0 44.23 ? 20 A 5 -ATOM 310 H HD12 . ILE A1 1 20 ? -14.219 7.589 -17.181 1.0 43.31 ? 20 A 5 -ATOM 311 H HD13 . ILE A1 1 20 ? -15.512 6.666 -17.947 1.0 23.14 ? 20 A 5 -ATOM 312 N N . ASP A1 1 21 ? -14.017 5.161 -12.915 1.0 44.41 ? 21 A 5 -ATOM 313 C CA . ASP A1 1 21 ? -12.632 5.086 -12.464 1.0 13.43 ? 21 A 5 -ATOM 314 C C . ASP A1 1 21 ? -11.697 4.784 -13.631 1.0 74.52 ? 21 A 5 -ATOM 315 O O . ASP A1 1 21 ? -11.847 3.771 -14.314 1.0 3.25 ? 21 A 5 -ATOM 316 C CB . ASP A1 1 21 ? -12.482 4.015 -11.383 1.0 40.32 ? 21 A 5 -ATOM 317 C CG . ASP A1 1 21 ? -12.784 2.623 -11.902 1.0 70.32 ? 21 A 5 -ATOM 318 O OD1 . ASP A1 1 21 ? -13.973 2.324 -12.144 1.0 34.41 ? 21 A 5 -ATOM 319 O OD2 . ASP A1 1 21 ? -11.832 1.832 -12.066 1.0 4.34 ? 21 A 5 -ATOM 320 H H . ASP A1 1 21 ? -14.594 4.374 -12.82 1.0 61.24 ? 21 A 5 -ATOM 321 H HA . ASP A1 1 21 ? -12.367 6.046 -12.047 1.0 0.1 ? 21 A 5 -ATOM 322 H HB2 . ASP A1 1 21 ? -11.468 4.028 -11.011 1.0 73.15 ? 21 A 5 -ATOM 323 H HB3 . ASP A1 1 21 ? -13.161 4.233 -10.572 1.0 61.23 ? 21 A 5 -ATOM 324 N N . VAL A1 1 22 ? -10.731 5.67 -13.853 1.0 30.34 ? 22 A 5 -ATOM 325 C CA . VAL A1 1 22 ? -9.771 5.498 -14.937 1.0 1.34 ? 22 A 5 -ATOM 326 C C . VAL A1 1 22 ? -8.349 5.773 -14.46 1.0 61.2 ? 22 A 5 -ATOM 327 O O . VAL A1 1 22 ? -8.142 6.372 -13.405 1.0 34.03 ? 22 A 5 -ATOM 328 C CB . VAL A1 1 22 ? -10.091 6.426 -16.124 1.0 60.13 ? 22 A 5 -ATOM 329 C CG1 . VAL A1 1 22 ? -11.551 6.854 -16.088 1.0 14.0 ? 22 A 5 -ATOM 330 C CG2 . VAL A1 1 22 ? -9.172 7.638 -16.115 1.0 61.12 ? 22 A 5 -ATOM 331 H H . VAL A1 1 22 ? -10.662 6.457 -13.275 1.0 71.0 ? 22 A 5 -ATOM 332 H HA . VAL A1 1 22 ? -9.834 4.475 -15.28 1.0 41.13 ? 22 A 5 -ATOM 333 H HB . VAL A1 1 22 ? -9.922 5.879 -17.039 1.0 23.42 ? 22 A 5 -ATOM 334 H HG11 . VAL A1 1 22 ? -11.814 7.313 -17.03 1.0 3.13 ? 22 A 5 -ATOM 335 H HG12 . VAL A1 1 22 ? -12.176 5.989 -15.921 1.0 11.12 ? 22 A 5 -ATOM 336 H HG13 . VAL A1 1 22 ? -11.698 7.565 -15.289 1.0 2.3 ? 22 A 5 -ATOM 337 H HG21 . VAL A1 1 22 ? -9.15 8.067 -15.124 1.0 43.3 ? 22 A 5 -ATOM 338 H HG22 . VAL A1 1 22 ? -8.175 7.335 -16.398 1.0 71.52 ? 22 A 5 -ATOM 339 H HG23 . VAL A1 1 22 ? -9.538 8.374 -16.816 1.0 24.41 ? 22 A 5 -ATOM 340 N N . ASP A1 1 23 ? -7.372 5.332 -15.246 1.0 73.14 ? 23 A 5 -ATOM 341 C CA . ASP A1 1 23 ? -5.968 5.532 -14.905 1.0 0.33 ? 23 A 5 -ATOM 342 C C . ASP A1 1 23 ? -5.293 6.464 -15.907 1.0 62.12 ? 23 A 5 -ATOM 343 O O . ASP A1 1 23 ? -5.705 6.55 -17.064 1.0 35.34 ? 23 A 5 -ATOM 344 C CB . ASP A1 1 23 ? -5.236 4.19 -14.863 1.0 24.44 ? 23 A 5 -ATOM 345 C CG . ASP A1 1 23 ? -4.508 3.968 -13.552 1.0 11.25 ? 23 A 5 -ATOM 346 O OD1 . ASP A1 1 23 ? -4.01 4.958 -12.975 1.0 71.52 ? 23 A 5 -ATOM 347 O OD2 . ASP A1 1 23 ? -4.436 2.805 -13.102 1.0 54.12 ? 23 A 5 -ATOM 348 H H . ASP A1 1 23 ? -7.601 4.862 -16.075 1.0 71.31 ? 23 A 5 -ATOM 349 H HA . ASP A1 1 23 ? -5.926 5.985 -13.926 1.0 62.03 ? 23 A 5 -ATOM 350 H HB2 . ASP A1 1 23 ? -5.952 3.392 -14.996 1.0 75.32 ? 23 A 5 -ATOM 351 H HB3 . ASP A1 1 23 ? -4.513 4.157 -15.665 1.0 32.1 ? 23 A 5 -ATOM 352 N N . HIS A1 1 24 ? -4.255 7.16 -15.454 1.0 3.42 ? 24 A 5 -ATOM 353 C CA . HIS A1 1 24 ? -3.523 8.086 -16.311 1.0 64.1 ? 24 A 5 -ATOM 354 C C . HIS A1 1 24 ? -2.907 7.354 -17.499 1.0 13.22 ? 24 A 5 -ATOM 355 O O . HIS A1 1 24 ? -2.499 7.976 -18.48 1.0 40.32 ? 24 A 5 -ATOM 356 C CB . HIS A1 1 24 ? -2.431 8.797 -15.512 1.0 43.52 ? 24 A 5 -ATOM 357 C CG . HIS A1 1 24 ? -1.423 7.865 -14.913 1.0 63.23 ? 24 A 5 -ATOM 358 N ND1 . HIS A1 1 24 ? -0.168 7.667 -15.448 1.0 33.23 ? 24 A 5 -ATOM 359 C CD2 . HIS A1 1 24 ? -1.491 7.074 -13.816 1.0 70.35 ? 24 A 5 -ATOM 360 C CE1 . HIS A1 1 24 ? 0.492 6.795 -14.708 1.0 52.22 ? 24 A 5 -ATOM 361 N NE2 . HIS A1 1 24 ? -0.289 6.42 -13.711 1.0 51.1 ? 24 A 5 -ATOM 362 H H . HIS A1 1 24 ? -3.975 7.047 -14.522 1.0 35.01 ? 24 A 5 -ATOM 363 H HA . HIS A1 1 24 ? -4.223 8.82 -16.68 1.0 52.33 ? 24 A 5 -ATOM 364 H HB2 . HIS A1 1 24 ? -1.904 9.479 -16.164 1.0 74.33 ? 24 A 5 -ATOM 365 H HB3 . HIS A1 1 24 ? -2.887 9.355 -14.708 1.0 2.24 ? 24 A 5 -ATOM 366 H HD1 . HIS A1 1 24 ? 0.186 8.101 -16.252 1.0 61.24 ? 24 A 5 -ATOM 367 H HD2 . HIS A1 1 24 ? -2.335 6.976 -13.147 1.0 14.35 ? 24 A 5 -ATOM 368 H HE1 . HIS A1 1 24 ? 1.498 6.447 -14.887 1.0 73.24 ? 24 A 5 -ATOM 369 N N . ALA A1 1 25 ? -2.841 6.03 -17.404 1.0 63.43 ? 25 A 5 -ATOM 370 C CA . ALA A1 1 25 ? -2.276 5.214 -18.471 1.0 43.32 ? 25 A 5 -ATOM 371 C C . ALA A1 1 25 ? -3.331 4.872 -19.518 1.0 33.54 ? 25 A 5 -ATOM 372 O O . ALA A1 1 25 ? -3.081 4.083 -20.43 1.0 12.23 ? 25 A 5 -ATOM 373 C CB . ALA A1 1 25 ? -1.666 3.944 -17.898 1.0 51.34 ? 25 A 5 -ATOM 374 H H . ALA A1 1 25 ? -3.183 5.592 -16.597 1.0 55.41 ? 25 A 5 -ATOM 375 H HA . ALA A1 1 25 ? -1.487 5.782 -18.943 1.0 23.12 ? 25 A 5 -ATOM 376 H HB1 . ALA A1 1 25 ? -1.372 3.29 -18.706 1.0 42.21 ? 25 A 5 -ATOM 377 H HB2 . ALA A1 1 25 ? -0.8 4.196 -17.305 1.0 3.14 ? 25 A 5 -ATOM 378 H HB3 . ALA A1 1 25 ? -2.394 3.444 -17.278 1.0 44.44 ? 25 A 5 -ATOM 379 N N . ASP A1 1 26 ? -4.51 5.468 -19.38 1.0 53.31 ? 26 A 5 -ATOM 380 C CA . ASP A1 1 26 ? -5.603 5.225 -20.314 1.0 71.32 ? 26 A 5 -ATOM 381 C C . ASP A1 1 26 ? -5.715 6.361 -21.326 1.0 31.24 ? 26 A 5 -ATOM 382 O O . ASP A1 1 26 ? -4.818 7.197 -21.44 1.0 53.43 ? 26 A 5 -ATOM 383 C CB . ASP A1 1 26 ? -6.923 5.068 -19.558 1.0 21.1 ? 26 A 5 -ATOM 384 C CG . ASP A1 1 26 ? -6.841 4.024 -18.461 1.0 73.54 ? 26 A 5 -ATOM 385 O OD1 . ASP A1 1 26 ? -5.85 3.264 -18.438 1.0 73.22 ? 26 A 5 -ATOM 386 O OD2 . ASP A1 1 26 ? -7.767 3.968 -17.625 1.0 2.02 ? 26 A 5 -ATOM 387 H H . ASP A1 1 26 ? -4.648 6.086 -18.632 1.0 73.33 ? 26 A 5 -ATOM 388 H HA . ASP A1 1 26 ? -5.39 4.309 -20.843 1.0 35.3 ? 26 A 5 -ATOM 389 H HB2 . ASP A1 1 26 ? -7.189 6.014 -19.109 1.0 71.15 ? 26 A 5 -ATOM 390 H HB3 . ASP A1 1 26 ? -7.696 4.774 -20.253 1.0 51.4 ? 26 A 5 -ATOM 391 N N . THR A1 1 27 ? -6.823 6.386 -22.06 1.0 11.22 ? 27 A 5 -ATOM 392 C CA . THR A1 1 27 ? -7.052 7.417 -23.064 1.0 12.11 ? 27 A 5 -ATOM 393 C C . THR A1 1 27 ? -8.534 7.75 -23.183 1.0 24.55 ? 27 A 5 -ATOM 394 O O . THR A1 1 27 ? -9.388 7.013 -22.69 1.0 14.34 ? 27 A 5 -ATOM 395 C CB . THR A1 1 27 ? -6.522 6.985 -24.445 1.0 24.42 ? 27 A 5 -ATOM 396 O OG1 . THR A1 1 27 ? -6.535 5.557 -24.549 1.0 51.41 ? 27 A 5 -ATOM 397 C CG2 . THR A1 1 27 ? -5.109 7.502 -24.669 1.0 72.22 ? 27 A 5 -ATOM 398 H H . THR A1 1 27 ? -7.501 5.692 -21.923 1.0 1.33 ? 27 A 5 -ATOM 399 H HA . THR A1 1 27 ? -6.517 8.305 -22.759 1.0 54.42 ? 27 A 5 -ATOM 400 H HB . THR A1 1 27 ? -7.166 7.4 -25.207 1.0 51.23 ? 27 A 5 -ATOM 401 H HG1 . THR A1 1 27 ? -7.23 5.201 -23.991 1.0 23.44 ? 27 A 5 -ATOM 402 H HG21 . THR A1 1 27 ? -4.739 7.14 -25.616 1.0 20.21 ? 27 A 5 -ATOM 403 H HG22 . THR A1 1 27 ? -4.467 7.152 -23.874 1.0 40.31 ? 27 A 5 -ATOM 404 H HG23 . THR A1 1 27 ? -5.118 8.582 -24.674 1.0 53.14 ? 27 A 5 -ATOM 405 N N . VAL A1 1 28 ? -8.835 8.865 -23.842 1.0 70.04 ? 28 A 5 -ATOM 406 C CA . VAL A1 1 28 ? -10.216 9.294 -24.027 1.0 40.12 ? 28 A 5 -ATOM 407 C C . VAL A1 1 28 ? -11.044 8.206 -24.701 1.0 43.3 ? 28 A 5 -ATOM 408 O O . VAL A1 1 28 ? -12.135 7.868 -24.242 1.0 51.44 ? 28 A 5 -ATOM 409 C CB . VAL A1 1 28 ? -10.296 10.581 -24.87 1.0 70.14 ? 28 A 5 -ATOM 410 C CG1 . VAL A1 1 28 ? -11.701 11.162 -24.827 1.0 13.41 ? 28 A 5 -ATOM 411 C CG2 . VAL A1 1 28 ? -9.274 11.599 -24.386 1.0 73.55 ? 28 A 5 -ATOM 412 H H . VAL A1 1 28 ? -8.111 9.411 -24.212 1.0 50.23 ? 28 A 5 -ATOM 413 H HA . VAL A1 1 28 ? -10.635 9.501 -23.053 1.0 62.42 ? 28 A 5 -ATOM 414 H HB . VAL A1 1 28 ? -10.065 10.33 -25.895 1.0 52.41 ? 28 A 5 -ATOM 415 H HG11 . VAL A1 1 28 ? -11.819 11.877 -25.628 1.0 72.32 ? 28 A 5 -ATOM 416 H HG12 . VAL A1 1 28 ? -12.423 10.367 -24.943 1.0 75.12 ? 28 A 5 -ATOM 417 H HG13 . VAL A1 1 28 ? -11.857 11.655 -23.879 1.0 43.12 ? 28 A 5 -ATOM 418 H HG21 . VAL A1 1 28 ? -8.681 11.165 -23.594 1.0 22.23 ? 28 A 5 -ATOM 419 H HG22 . VAL A1 1 28 ? -8.631 11.88 -25.206 1.0 21.24 ? 28 A 5 -ATOM 420 H HG23 . VAL A1 1 28 ? -9.786 12.474 -24.013 1.0 51.43 ? 28 A 5 -ATOM 421 N N . GLY A1 1 29 ? -10.518 7.66 -25.793 1.0 51.02 ? 29 A 5 -ATOM 422 C CA . GLY A1 1 29 ? -11.222 6.615 -26.513 1.0 24.21 ? 29 A 5 -ATOM 423 C C . GLY A1 1 29 ? -11.679 5.492 -25.604 1.0 62.32 ? 29 A 5 -ATOM 424 O O . GLY A1 1 29 ? -12.842 5.091 -25.639 1.0 1.41 ? 29 A 5 -ATOM 425 H H . GLY A1 1 29 ? -9.645 7.97 -26.113 1.0 25.44 ? 29 A 5 -ATOM 426 H HA2 . GLY A1 1 29 ? -12.085 7.046 -26.998 1.0 33.14 ? 29 A 5 -ATOM 427 H HA3 . GLY A1 1 29 ? -10.564 6.208 -27.267 1.0 61.11 ? 29 A 5 -ATOM 428 N N . ALA A1 1 30 ? -10.762 4.982 -24.789 1.0 0.3 ? 30 A 5 -ATOM 429 C CA . ALA A1 1 30 ? -11.077 3.898 -23.867 1.0 24.42 ? 30 A 5 -ATOM 430 C C . ALA A1 1 30 ? -12.173 4.31 -22.889 1.0 23.15 ? 30 A 5 -ATOM 431 O O . ALA A1 1 30 ? -13.076 3.53 -22.589 1.0 23.32 ? 30 A 5 -ATOM 432 C CB . ALA A1 1 30 ? -9.828 3.467 -23.112 1.0 4.23 ? 30 A 5 -ATOM 433 H H . ALA A1 1 30 ? -9.852 5.344 -24.808 1.0 13.0 ? 30 A 5 -ATOM 434 H HA . ALA A1 1 30 ? -11.425 3.056 -24.448 1.0 42.35 ? 30 A 5 -ATOM 435 H HB1 . ALA A1 1 30 ? -9.964 2.464 -22.735 1.0 24.3 ? 30 A 5 -ATOM 436 H HB2 . ALA A1 1 30 ? -8.979 3.491 -23.778 1.0 15.25 ? 30 A 5 -ATOM 437 H HB3 . ALA A1 1 30 ? -9.657 4.142 -22.286 1.0 54.13 ? 30 A 5 -ATOM 438 N N . VAL A1 1 31 ? -12.086 5.541 -22.395 1.0 44.02 ? 31 A 5 -ATOM 439 C CA . VAL A1 1 31 ? -13.07 6.057 -21.452 1.0 44.43 ? 31 A 5 -ATOM 440 C C . VAL A1 1 31 ? -14.464 6.082 -22.07 1.0 22.33 ? 31 A 5 -ATOM 441 O O . VAL A1 1 31 ? -15.445 5.699 -21.432 1.0 41.34 ? 31 A 5 -ATOM 442 C CB . VAL A1 1 31 ? -12.705 7.477 -20.98 1.0 42.01 ? 31 A 5 -ATOM 443 C CG1 . VAL A1 1 31 ? -13.824 8.063 -20.131 1.0 61.22 ? 31 A 5 -ATOM 444 C CG2 . VAL A1 1 31 ? -11.393 7.461 -20.21 1.0 34.2 ? 31 A 5 -ATOM 445 H H . VAL A1 1 31 ? -11.343 6.117 -22.673 1.0 33.11 ? 31 A 5 -ATOM 446 H HA . VAL A1 1 31 ? -13.081 5.406 -20.59 1.0 53.53 ? 31 A 5 -ATOM 447 H HB . VAL A1 1 31 ? -12.579 8.103 -21.851 1.0 34.14 ? 31 A 5 -ATOM 448 H HG11 . VAL A1 1 31 ? -14.495 7.273 -19.827 1.0 24.43 ? 31 A 5 -ATOM 449 H HG12 . VAL A1 1 31 ? -13.402 8.536 -19.256 1.0 62.24 ? 31 A 5 -ATOM 450 H HG13 . VAL A1 1 31 ? -14.368 8.794 -20.709 1.0 4.44 ? 31 A 5 -ATOM 451 H HG21 . VAL A1 1 31 ? -10.59 7.777 -20.859 1.0 32.4 ? 31 A 5 -ATOM 452 H HG22 . VAL A1 1 31 ? -11.463 8.134 -19.368 1.0 31.51 ? 31 A 5 -ATOM 453 H HG23 . VAL A1 1 31 ? -11.196 6.46 -19.855 1.0 2.41 ? 31 A 5 -ATOM 454 N N . LYS A1 1 32 ? -14.544 6.535 -23.316 1.0 44.33 ? 32 A 5 -ATOM 455 C CA . LYS A1 1 32 ? -15.817 6.608 -24.024 1.0 33.41 ? 32 A 5 -ATOM 456 C C . LYS A1 1 32 ? -16.502 5.246 -24.054 1.0 33.52 ? 32 A 5 -ATOM 457 O O . LYS A1 1 32 ? -17.714 5.145 -23.865 1.0 55.22 ? 32 A 5 -ATOM 458 C CB . LYS A1 1 32 ? -15.602 7.115 -25.452 1.0 21.43 ? 32 A 5 -ATOM 459 C CG . LYS A1 1 32 ? -16.171 8.501 -25.697 1.0 62.04 ? 32 A 5 -ATOM 460 C CD . LYS A1 1 32 ? -15.07 9.527 -25.906 1.0 13.3 ? 32 A 5 -ATOM 461 C CE . LYS A1 1 32 ? -14.975 9.955 -27.362 1.0 61.02 ? 32 A 5 -ATOM 462 N NZ . LYS A1 1 32 ? -16.239 10.584 -27.838 1.0 10.13 ? 32 A 5 -ATOM 463 H H . LYS A1 1 32 ? -13.726 6.826 -23.773 1.0 0.43 ? 32 A 5 -ATOM 464 H HA . LYS A1 1 32 ? -16.451 7.304 -23.495 1.0 20.21 ? 32 A 5 -ATOM 465 H HB2 . LYS A1 1 32 ? -14.542 7.142 -25.655 1.0 31.13 ? 32 A 5 -ATOM 466 H HB3 . LYS A1 1 32 ? -16.074 6.428 -26.139 1.0 51.43 ? 32 A 5 -ATOM 467 H HG2 . LYS A1 1 32 ? -16.794 8.474 -26.579 1.0 34.55 ? 32 A 5 -ATOM 468 H HG3 . LYS A1 1 32 ? -16.765 8.793 -24.843 1.0 75.31 ? 32 A 5 -ATOM 469 H HD2 . LYS A1 1 32 ? -15.28 10.396 -25.3 1.0 62.53 ? 32 A 5 -ATOM 470 H HD3 . LYS A1 1 32 ? -14.126 9.095 -25.604 1.0 34.24 ? 32 A 5 -ATOM 471 H HE2 . LYS A1 1 32 ? -14.169 10.666 -27.463 1.0 32.35 ? 32 A 5 -ATOM 472 H HE3 . LYS A1 1 32 ? -14.766 9.085 -27.967 1.0 31.14 ? 32 A 5 -ATOM 473 H HZ1 . LYS A1 1 32 ? -16.768 10.977 -27.034 1.0 3.34 ? 32 A 5 -ATOM 474 H HZ2 . LYS A1 1 32 ? -16.831 9.876 -28.317 1.0 11.13 ? 32 A 5 -ATOM 475 H HZ3 . LYS A1 1 32 ? -16.026 11.351 -28.508 1.0 13.55 ? 32 A 5 -ATOM 476 N N . ALA A1 1 33 ? -15.718 4.199 -24.292 1.0 34.21 ? 33 A 5 -ATOM 477 C CA . ALA A1 1 33 ? -16.249 2.843 -24.343 1.0 60.31 ? 33 A 5 -ATOM 478 C C . ALA A1 1 33 ? -16.819 2.425 -22.992 1.0 31.03 ? 33 A 5 -ATOM 479 O O . ALA A1 1 33 ? -17.869 1.786 -22.92 1.0 31.32 ? 33 A 5 -ATOM 480 C CB . ALA A1 1 33 ? -15.167 1.869 -24.786 1.0 54.24 ? 33 A 5 -ATOM 481 H H . ALA A1 1 33 ? -14.759 4.343 -24.434 1.0 43.1 ? 33 A 5 -ATOM 482 H HA . ALA A1 1 33 ? -17.04 2.822 -25.079 1.0 53.01 ? 33 A 5 -ATOM 483 H HB1 . ALA A1 1 33 ? -14.278 2.026 -24.192 1.0 2.33 ? 33 A 5 -ATOM 484 H HB2 . ALA A1 1 33 ? -15.517 0.856 -24.65 1.0 61.23 ? 33 A 5 -ATOM 485 H HB3 . ALA A1 1 33 ? -14.938 2.035 -25.828 1.0 53.23 ? 33 A 5 -ATOM 486 N N . LYS A1 1 34 ? -16.12 2.789 -21.922 1.0 30.14 ? 34 A 5 -ATOM 487 C CA . LYS A1 1 34 ? -16.557 2.453 -20.572 1.0 3.41 ? 34 A 5 -ATOM 488 C C . LYS A1 1 34 ? -17.931 3.048 -20.28 1.0 51.04 ? 34 A 5 -ATOM 489 O O . LYS A1 1 34 ? -18.789 2.39 -19.692 1.0 30.3 ? 34 A 5 -ATOM 490 C CB . LYS A1 1 34 ? -15.541 2.959 -19.545 1.0 63.02 ? 34 A 5 -ATOM 491 C CG . LYS A1 1 34 ? -15.888 2.589 -18.113 1.0 24.43 ? 34 A 5 -ATOM 492 C CD . LYS A1 1 34 ? -15.836 1.086 -17.898 1.0 44.42 ? 34 A 5 -ATOM 493 C CE . LYS A1 1 34 ? -14.424 0.546 -18.068 1.0 34.12 ? 34 A 5 -ATOM 494 N NZ . LYS A1 1 34 ? -14.244 -0.763 -17.382 1.0 13.0 ? 34 A 5 -ATOM 495 H H . LYS A1 1 34 ? -15.291 3.298 -22.044 1.0 65.25 ? 34 A 5 -ATOM 496 H HA . LYS A1 1 34 ? -16.621 1.378 -20.502 1.0 3.22 ? 34 A 5 -ATOM 497 H HB2 . LYS A1 1 34 ? -14.573 2.542 -19.778 1.0 71.03 ? 34 A 5 -ATOM 498 H HB3 . LYS A1 1 34 ? -15.486 4.036 -19.613 1.0 71.12 ? 34 A 5 -ATOM 499 H HG2 . LYS A1 1 34 ? -15.182 3.062 -17.447 1.0 24.23 ? 34 A 5 -ATOM 500 H HG3 . LYS A1 1 34 ? -16.886 2.941 -17.892 1.0 22.21 ? 34 A 5 -ATOM 501 H HD2 . LYS A1 1 34 ? -16.176 0.862 -16.898 1.0 63.43 ? 34 A 5 -ATOM 502 H HD3 . LYS A1 1 34 ? -16.485 0.605 -18.617 1.0 75.33 ? 34 A 5 -ATOM 503 H HE2 . LYS A1 1 34 ? -14.226 0.422 -19.122 1.0 34.14 ? 34 A 5 -ATOM 504 H HE3 . LYS A1 1 34 ? -13.728 1.26 -17.653 1.0 0.12 ? 34 A 5 -ATOM 505 H HZ1 . LYS A1 1 34 ? -14.685 -1.522 -17.939 1.0 62.42 ? 34 A 5 -ATOM 506 H HZ2 . LYS A1 1 34 ? -14.685 -0.736 -16.441 1.0 14.2 ? 34 A 5 -ATOM 507 H HZ3 . LYS A1 1 34 ? -13.231 -0.972 -17.272 1.0 65.2 ? 34 A 5 -ATOM 508 N N . ILE A1 1 35 ? -18.131 4.293 -20.696 1.0 14.42 ? 35 A 5 -ATOM 509 C CA . ILE A1 1 35 ? -19.402 4.974 -20.482 1.0 22.32 ? 35 A 5 -ATOM 510 C C . ILE A1 1 35 ? -20.516 4.33 -21.299 1.0 74.31 ? 35 A 5 -ATOM 511 O O . ILE A1 1 35 ? -21.659 4.243 -20.85 1.0 33.23 ? 35 A 5 -ATOM 512 C CB . ILE A1 1 35 ? -19.309 6.468 -20.847 1.0 42.5 ? 35 A 5 -ATOM 513 C CG1 . ILE A1 1 35 ? -18.163 7.132 -20.083 1.0 22.04 ? 35 A 5 -ATOM 514 C CG2 . ILE A1 1 35 ? -20.627 7.168 -20.551 1.0 45.14 ? 35 A 5 -ATOM 515 C CD1 . ILE A1 1 35 ? -18.296 7.026 -18.58 1.0 11.1 ? 35 A 5 -ATOM 516 H H . ILE A1 1 35 ? -17.409 4.765 -21.16 1.0 54.44 ? 35 A 5 -ATOM 517 H HA . ILE A1 1 35 ? -19.649 4.896 -19.432 1.0 30.01 ? 35 A 5 -ATOM 518 H HB . ILE A1 1 35 ? -19.119 6.544 -21.907 1.0 2.44 ? 35 A 5 -ATOM 519 H HG12 . ILE A1 1 35 ? -17.232 6.666 -20.366 1.0 3.24 ? 35 A 5 -ATOM 520 H HG13 . ILE A1 1 35 ? -18.129 8.181 -20.341 1.0 0.11 ? 35 A 5 -ATOM 521 H HG21 . ILE A1 1 35 ? -20.513 8.231 -20.708 1.0 65.32 ? 35 A 5 -ATOM 522 H HG22 . ILE A1 1 35 ? -21.393 6.788 -21.21 1.0 43.1 ? 35 A 5 -ATOM 523 H HG23 . ILE A1 1 35 ? -20.91 6.984 -19.526 1.0 75.41 ? 35 A 5 -ATOM 524 H HD11 . ILE A1 1 35 ? -17.745 7.829 -18.112 1.0 43.52 ? 35 A 5 -ATOM 525 H HD12 . ILE A1 1 35 ? -19.338 7.098 -18.305 1.0 71.15 ? 35 A 5 -ATOM 526 H HD13 . ILE A1 1 35 ? -17.901 6.077 -18.249 1.0 74.3 ? 35 A 5 -ATOM 527 N N . TYR A1 1 36 ? -20.175 3.879 -22.501 1.0 62.53 ? 36 A 5 -ATOM 528 C CA . TYR A1 1 36 ? -21.147 3.243 -23.383 1.0 64.44 ? 36 A 5 -ATOM 529 C C . TYR A1 1 36 ? -21.801 2.046 -22.7 1.0 53.42 ? 36 A 5 -ATOM 530 O O . TYR A1 1 36 ? -23.018 1.87 -22.761 1.0 34.33 ? 36 A 5 -ATOM 531 C CB . TYR A1 1 36 ? -20.473 2.797 -24.682 1.0 74.42 ? 36 A 5 -ATOM 532 C CG . TYR A1 1 36 ? -20.82 1.383 -25.09 1.0 43.51 ? 36 A 5 -ATOM 533 C CD1 . TYR A1 1 36 ? -22.074 1.074 -25.6 1.0 62.31 ? 36 A 5 -ATOM 534 C CD2 . TYR A1 1 36 ? -19.892 0.356 -24.965 1.0 22.21 ? 36 A 5 -ATOM 535 C CE1 . TYR A1 1 36 ? -22.395 -0.217 -25.973 1.0 25.24 ? 36 A 5 -ATOM 536 C CE2 . TYR A1 1 36 ? -20.204 -0.937 -25.337 1.0 24.41 ? 36 A 5 -ATOM 537 C CZ . TYR A1 1 36 ? -21.457 -1.219 -25.84 1.0 51.0 ? 36 A 5 -ATOM 538 O OH . TYR A1 1 36 ? -21.772 -2.506 -26.211 1.0 31.41 ? 36 A 5 -ATOM 539 H H . TYR A1 1 36 ? -19.248 3.977 -22.804 1.0 42.53 ? 36 A 5 -ATOM 540 H HA . TYR A1 1 36 ? -21.91 3.971 -23.616 1.0 45.34 ? 36 A 5 -ATOM 541 H HB2 . TYR A1 1 36 ? -20.776 3.456 -25.481 1.0 32.41 ? 36 A 5 -ATOM 542 H HB3 . TYR A1 1 36 ? -19.401 2.855 -24.561 1.0 73.31 ? 36 A 5 -ATOM 543 H HD1 . TYR A1 1 36 ? -22.807 1.861 -25.704 1.0 14.41 ? 36 A 5 -ATOM 544 H HD2 . TYR A1 1 36 ? -18.911 0.58 -24.57 1.0 73.43 ? 36 A 5 -ATOM 545 H HE1 . TYR A1 1 36 ? -23.376 -0.438 -26.368 1.0 30.0 ? 36 A 5 -ATOM 546 H HE2 . TYR A1 1 36 ? -19.469 -1.722 -25.232 1.0 11.1 ? 36 A 5 -ATOM 547 H HH . TYR A1 1 36 ? -22.289 -2.487 -27.02 1.0 20.21 ? 36 A 5 -ATOM 548 N N . ASP A1 1 37 ? -20.984 1.226 -22.048 1.0 31.31 ? 37 A 5 -ATOM 549 C CA . ASP A1 1 37 ? -21.481 0.046 -21.35 1.0 4.3 ? 37 A 5 -ATOM 550 C C . ASP A1 1 37 ? -22.177 0.436 -20.05 1.0 30.32 ? 37 A 5 -ATOM 551 O O . ASP A1 1 37 ? -23.119 -0.226 -19.614 1.0 62.0 ? 37 A 5 -ATOM 552 C CB . ASP A1 1 37 ? -20.333 -0.922 -21.058 1.0 35.43 ? 37 A 5 -ATOM 553 C CG . ASP A1 1 37 ? -20.635 -2.334 -21.518 1.0 34.32 ? 37 A 5 -ATOM 554 O OD1 . ASP A1 1 37 ? -21.328 -3.064 -20.778 1.0 31.12 ? 37 A 5 -ATOM 555 O OD2 . ASP A1 1 37 ? -20.181 -2.71 -22.619 1.0 3.2 ? 37 A 5 -ATOM 556 H H . ASP A1 1 37 ? -20.023 1.42 -22.035 1.0 51.42 ? 37 A 5 -ATOM 557 H HA . ASP A1 1 37 ? -22.196 -0.443 -21.994 1.0 32.24 ? 37 A 5 -ATOM 558 H HB2 . ASP A1 1 37 ? -19.444 -0.58 -21.568 1.0 43.14 ? 37 A 5 -ATOM 559 H HB3 . ASP A1 1 37 ? -20.148 -0.94 -19.994 1.0 34.23 ? 37 A 5 -ATOM 560 N N . LYS A1 1 38 ? -21.706 1.515 -19.434 1.0 33.03 ? 38 A 5 -ATOM 561 C CA . LYS A1 1 38 ? -22.282 1.995 -18.183 1.0 33.5 ? 38 A 5 -ATOM 562 C C . LYS A1 1 38 ? -23.784 2.223 -18.328 1.0 62.1 ? 38 A 5 -ATOM 563 O O . LYS A1 1 38 ? -24.568 1.808 -17.475 1.0 13.24 ? 38 A 5 -ATOM 564 C CB . LYS A1 1 38 ? -21.599 3.293 -17.748 1.0 32.13 ? 38 A 5 -ATOM 565 C CG . LYS A1 1 38 ? -20.812 3.162 -16.455 1.0 11.13 ? 38 A 5 -ATOM 566 C CD . LYS A1 1 38 ? -19.35 2.846 -16.721 1.0 55.11 ? 38 A 5 -ATOM 567 C CE . LYS A1 1 38 ? -19.123 1.351 -16.879 1.0 12.13 ? 38 A 5 -ATOM 568 N NZ . LYS A1 1 38 ? -18.543 0.745 -15.649 1.0 62.42 ? 38 A 5 -ATOM 569 H H . LYS A1 1 38 ? -20.953 2.002 -19.831 1.0 40.1 ? 38 A 5 -ATOM 570 H HA . LYS A1 1 38 ? -22.116 1.24 -17.43 1.0 13.43 ? 38 A 5 -ATOM 571 H HB2 . LYS A1 1 38 ? -20.92 3.608 -18.527 1.0 53.44 ? 38 A 5 -ATOM 572 H HB3 . LYS A1 1 38 ? -22.353 4.055 -17.61 1.0 74.35 ? 38 A 5 -ATOM 573 H HG2 . LYS A1 1 38 ? -20.875 4.093 -15.91 1.0 72.35 ? 38 A 5 -ATOM 574 H HG3 . LYS A1 1 38 ? -21.241 2.367 -15.863 1.0 65.33 ? 38 A 5 -ATOM 575 H HD2 . LYS A1 1 38 ? -19.043 3.344 -17.629 1.0 31.44 ? 38 A 5 -ATOM 576 H HD3 . LYS A1 1 38 ? -18.756 3.206 -15.893 1.0 51.13 ? 38 A 5 -ATOM 577 H HE2 . LYS A1 1 38 ? -20.069 0.877 -17.092 1.0 72.24 ? 38 A 5 -ATOM 578 H HE3 . LYS A1 1 38 ? -18.445 1.189 -17.705 1.0 52.14 ? 38 A 5 -ATOM 579 H HZ1 . LYS A1 1 38 ? -19.282 0.624 -14.928 1.0 12.21 ? 38 A 5 -ATOM 580 H HZ2 . LYS A1 1 38 ? -17.796 1.36 -15.266 1.0 31.3 ? 38 A 5 -ATOM 581 H HZ3 . LYS A1 1 38 ? -18.132 -0.185 -15.868 1.0 72.13 ? 38 A 5 -ATOM 582 N N . GLU A1 1 39 ? -24.176 2.883 -19.413 1.0 74.33 ? 39 A 5 -ATOM 583 C CA . GLU A1 1 39 ? -25.584 3.164 -19.668 1.0 31.43 ? 39 A 5 -ATOM 584 C C . GLU A1 1 39 ? -26.092 2.359 -20.861 1.0 55.55 ? 39 A 5 -ATOM 585 O O . GLU A1 1 39 ? -27.08 1.633 -20.758 1.0 44.25 ? 39 A 5 -ATOM 586 C CB . GLU A1 1 39 ? -25.791 4.658 -19.922 1.0 31.12 ? 39 A 5 -ATOM 587 C CG . GLU A1 1 39 ? -24.617 5.325 -20.62 1.0 22.34 ? 39 A 5 -ATOM 588 C CD . GLU A1 1 39 ? -24.787 6.827 -20.742 1.0 34.02 ? 39 A 5 -ATOM 589 O OE1 . GLU A1 1 39 ? -25.942 7.283 -20.88 1.0 60.52 ? 39 A 5 -ATOM 590 O OE2 . GLU A1 1 39 ? -23.767 7.546 -20.701 1.0 24.54 ? 39 A 5 -ATOM 591 H H . GLU A1 1 39 ? -23.503 3.188 -20.056 1.0 53.12 ? 39 A 5 -ATOM 592 H HA . GLU A1 1 39 ? -26.144 2.877 -18.791 1.0 24.23 ? 39 A 5 -ATOM 593 H HB2 . GLU A1 1 39 ? -26.669 4.789 -20.536 1.0 13.32 ? 39 A 5 -ATOM 594 H HB3 . GLU A1 1 39 ? -25.948 5.154 -18.975 1.0 53.15 ? 39 A 5 -ATOM 595 H HG2 . GLU A1 1 39 ? -23.718 5.126 -20.055 1.0 73.51 ? 39 A 5 -ATOM 596 H HG3 . GLU A1 1 39 ? -24.518 4.907 -21.61 1.0 55.55 ? 39 A 5 -ATOM 597 N N . GLY A1 1 40 ? -25.409 2.494 -21.993 1.0 41.31 ? 40 A 5 -ATOM 598 C CA . GLY A1 1 40 ? -25.806 1.775 -23.19 1.0 23.2 ? 40 A 5 -ATOM 599 C C . GLY A1 1 40 ? -26.074 2.7 -24.36 1.0 54.31 ? 40 A 5 -ATOM 600 O O . GLY A1 1 40 ? -27.114 2.602 -25.012 1.0 62.35 ? 40 A 5 -ATOM 601 H H . GLY A1 1 40 ? -24.629 3.088 -22.017 1.0 1.31 ? 40 A 5 -ATOM 602 H HA2 . GLY A1 1 40 ? -25.019 1.087 -23.46 1.0 42.33 ? 40 A 5 -ATOM 603 H HA3 . GLY A1 1 40 ? -26.704 1.213 -22.977 1.0 42.25 ? 40 A 5 -ATOM 604 N N . ILE A1 1 41 ? -25.135 3.602 -24.627 1.0 11.45 ? 41 A 5 -ATOM 605 C CA . ILE A1 1 41 ? -25.276 4.548 -25.726 1.0 13.21 ? 41 A 5 -ATOM 606 C C . ILE A1 1 41 ? -24.065 4.501 -26.651 1.0 73.14 ? 41 A 5 -ATOM 607 O O . ILE A1 1 41 ? -22.981 4.056 -26.273 1.0 54.03 ? 41 A 5 -ATOM 608 C CB . ILE A1 1 41 ? -25.458 5.988 -25.21 1.0 13.54 ? 41 A 5 -ATOM 609 C CG1 . ILE A1 1 41 ? -24.578 6.227 -23.981 1.0 35.25 ? 41 A 5 -ATOM 610 C CG2 . ILE A1 1 41 ? -26.919 6.252 -24.881 1.0 15.54 ? 41 A 5 -ATOM 611 C CD1 . ILE A1 1 41 ? -23.997 7.622 -23.917 1.0 51.21 ? 41 A 5 -ATOM 612 H H . ILE A1 1 41 ? -24.329 3.631 -24.071 1.0 10.31 ? 41 A 5 -ATOM 613 H HA . ILE A1 1 41 ? -26.157 4.275 -26.29 1.0 22.4 ? 41 A 5 -ATOM 614 H HB . ILE A1 1 41 ? -25.162 6.668 -25.994 1.0 2.22 ? 41 A 5 -ATOM 615 H HG12 . ILE A1 1 41 ? -25.164 6.071 -23.09 1.0 53.25 ? 41 A 5 -ATOM 616 H HG13 . ILE A1 1 41 ? -23.756 5.525 -23.994 1.0 73.21 ? 41 A 5 -ATOM 617 H HG21 . ILE A1 1 41 ? -27.466 6.436 -25.794 1.0 41.34 ? 41 A 5 -ATOM 618 H HG22 . ILE A1 1 41 ? -27.336 5.391 -24.38 1.0 35.01 ? 41 A 5 -ATOM 619 H HG23 . ILE A1 1 41 ? -26.993 7.115 -24.236 1.0 24.24 ? 41 A 5 -ATOM 620 H HD11 . ILE A1 1 41 ? -23.125 7.62 -23.279 1.0 13.35 ? 41 A 5 -ATOM 621 H HD12 . ILE A1 1 41 ? -23.714 7.942 -24.909 1.0 5.02 ? 41 A 5 -ATOM 622 H HD13 . ILE A1 1 41 ? -24.734 8.301 -23.515 1.0 73.01 ? 41 A 5 -ATOM 623 N N . PRO A1 1 42 ? -24.25 4.971 -27.893 1.0 42.01 ? 42 A 5 -ATOM 624 C CA . PRO A1 1 42 ? -23.183 4.995 -28.898 1.0 63.34 ? 42 A 5 -ATOM 625 C C . PRO A1 1 42 ? -22.099 6.016 -28.568 1.0 4.23 ? 42 A 5 -ATOM 626 O O . PRO A1 1 42 ? -22.334 7.225 -28.555 1.0 21.54 ? 42 A 5 -ATOM 627 C CB . PRO A1 1 42 ? -23.915 5.389 -30.184 1.0 63.45 ? 42 A 5 -ATOM 628 C CG . PRO A1 1 42 ? -25.115 6.14 -29.721 1.0 31.23 ? 42 A 5 -ATOM 629 C CD . PRO A1 1 42 ? -25.516 5.516 -28.413 1.0 52.22 ? 42 A 5 -ATOM 630 H HA . PRO A1 1 42 ? -22.733 4.021 -29.022 1.0 60.32 ? 42 A 5 -ATOM 631 H HB2 . PRO A1 1 42 ? -23.271 6.009 -30.792 1.0 50.23 ? 42 A 5 -ATOM 632 H HB3 . PRO A1 1 42 ? -24.192 4.501 -30.731 1.0 64.01 ? 42 A 5 -ATOM 633 H HG2 . PRO A1 1 42 ? -24.866 7.181 -29.579 1.0 0.11 ? 42 A 5 -ATOM 634 H HG3 . PRO A1 1 42 ? -25.912 6.039 -30.443 1.0 1.1 ? 42 A 5 -ATOM 635 H HD2 . PRO A1 1 42 ? -25.917 6.264 -27.745 1.0 11.32 ? 42 A 5 -ATOM 636 H HD3 . PRO A1 1 42 ? -26.236 4.728 -28.576 1.0 34.03 ? 42 A 5 -ATOM 637 N N . PRO A1 1 43 ? -20.883 5.522 -28.296 1.0 1.41 ? 43 A 5 -ATOM 638 C CA . PRO A1 1 43 ? -19.738 6.374 -27.961 1.0 62.53 ? 43 A 5 -ATOM 639 C C . PRO A1 1 43 ? -19.249 7.183 -29.158 1.0 21.35 ? 43 A 5 -ATOM 640 O O . PRO A1 1 43 ? -18.76 8.303 -29.005 1.0 73.42 ? 43 A 5 -ATOM 641 C CB . PRO A1 1 43 ? -18.668 5.374 -27.519 1.0 74.43 ? 43 A 5 -ATOM 642 C CG . PRO A1 1 43 ? -19.029 4.103 -28.206 1.0 42.11 ? 43 A 5 -ATOM 643 C CD . PRO A1 1 43 ? -20.53 4.092 -28.293 1.0 32.53 ? 43 A 5 -ATOM 644 H HA . PRO A1 1 43 ? -19.967 7.044 -27.145 1.0 3.1 ? 43 A 5 -ATOM 645 H HB2 . PRO A1 1 43 ? -17.693 5.727 -27.825 1.0 1.2 ? 43 A 5 -ATOM 646 H HB3 . PRO A1 1 43 ? -18.695 5.263 -26.445 1.0 52.2 ? 43 A 5 -ATOM 647 H HG2 . PRO A1 1 43 ? -18.596 4.084 -29.195 1.0 21.5 ? 43 A 5 -ATOM 648 H HG3 . PRO A1 1 43 ? -18.682 3.26 -27.627 1.0 41.32 ? 43 A 5 -ATOM 649 H HD2 . PRO A1 1 43 ? -20.852 3.614 -29.207 1.0 55.24 ? 43 A 5 -ATOM 650 H HD3 . PRO A1 1 43 ? -20.954 3.592 -27.434 1.0 31.14 ? 43 A 5 -ATOM 651 N N . ASP A1 1 44 ? -19.384 6.61 -30.349 1.0 54.12 ? 44 A 5 -ATOM 652 C CA . ASP A1 1 44 ? -18.957 7.279 -31.572 1.0 51.34 ? 44 A 5 -ATOM 653 C C . ASP A1 1 44 ? -19.924 8.398 -31.946 1.0 65.34 ? 44 A 5 -ATOM 654 O O . ASP A1 1 44 ? -19.597 9.27 -32.749 1.0 41.23 ? 44 A 5 -ATOM 655 C CB . ASP A1 1 44 ? -18.854 6.272 -32.72 1.0 23.35 ? 44 A 5 -ATOM 656 C CG . ASP A1 1 44 ? -17.933 6.748 -33.826 1.0 52.14 ? 44 A 5 -ATOM 657 O OD1 . ASP A1 1 44 ? -17.242 7.768 -33.624 1.0 70.43 ? 44 A 5 -ATOM 658 O OD2 . ASP A1 1 44 ? -17.904 6.1 -34.893 1.0 15.14 ? 44 A 5 -ATOM 659 H H . ASP A1 1 44 ? -19.781 5.715 -30.406 1.0 64.31 ? 44 A 5 -ATOM 660 H HA . ASP A1 1 44 ? -17.983 7.707 -31.393 1.0 72.42 ? 44 A 5 -ATOM 661 H HB2 . ASP A1 1 44 ? -18.473 5.337 -32.336 1.0 64.21 ? 44 A 5 -ATOM 662 H HB3 . ASP A1 1 44 ? -19.837 6.112 -33.138 1.0 74.33 ? 44 A 5 -ATOM 663 N N . GLN A1 1 45 ? -21.115 8.364 -31.357 1.0 24.51 ? 45 A 5 -ATOM 664 C CA . GLN A1 1 45 ? -22.13 9.375 -31.63 1.0 55.1 ? 45 A 5 -ATOM 665 C C . GLN A1 1 45 ? -22.035 10.525 -30.633 1.0 65.33 ? 45 A 5 -ATOM 666 O O . GLN A1 1 45 ? -22.644 11.577 -30.825 1.0 0.12 ? 45 A 5 -ATOM 667 C CB . GLN A1 1 45 ? -23.527 8.753 -31.578 1.0 3.33 ? 45 A 5 -ATOM 668 C CG . GLN A1 1 45 ? -23.967 8.134 -32.895 1.0 71.05 ? 45 A 5 -ATOM 669 C CD . GLN A1 1 45 ? -25.066 7.106 -32.718 1.0 50.21 ? 45 A 5 -ATOM 670 O OE1 . GLN A1 1 45 ? -26.167 7.427 -32.269 1.0 30.33 ? 45 A 5 -ATOM 671 N NE2 . GLN A1 1 45 ? -24.774 5.86 -33.072 1.0 54.11 ? 45 A 5 -ATOM 672 H H . GLN A1 1 45 ? -21.317 7.643 -30.726 1.0 33.14 ? 45 A 5 -ATOM 673 H HA . GLN A1 1 45 ? -21.955 9.761 -32.623 1.0 54.13 ? 45 A 5 -ATOM 674 H HB2 . GLN A1 1 45 ? -23.537 7.983 -30.822 1.0 72.22 ? 45 A 5 -ATOM 675 H HB3 . GLN A1 1 45 ? -24.239 9.519 -31.31 1.0 51.24 ? 45 A 5 -ATOM 676 H HG2 . GLN A1 1 45 ? -24.33 8.918 -33.543 1.0 11.31 ? 45 A 5 -ATOM 677 H HG3 . GLN A1 1 45 ? -23.115 7.655 -33.355 1.0 33.23 ? 45 A 5 -ATOM 678 H HE21 . GLN A1 1 45 ? -23.876 5.676 -33.421 1.0 35.4 ? 45 A 5 -ATOM 679 H HE22 . GLN A1 1 45 ? -25.465 5.174 -32.967 1.0 53.4 ? 45 A 5 -ATOM 680 N N . GLN A1 1 46 ? -21.268 10.316 -29.568 1.0 5.34 ? 46 A 5 -ATOM 681 C CA . GLN A1 1 46 ? -21.095 11.336 -28.54 1.0 54.21 ? 46 A 5 -ATOM 682 C C . GLN A1 1 46 ? -19.678 11.9 -28.566 1.0 23.33 ? 46 A 5 -ATOM 683 O O . GLN A1 1 46 ? -18.757 11.268 -29.084 1.0 42.0 ? 46 A 5 -ATOM 684 C CB . GLN A1 1 46 ? -21.4 10.754 -27.159 1.0 54.1 ? 46 A 5 -ATOM 685 C CG . GLN A1 1 46 ? -20.61 9.495 -26.841 1.0 63.33 ? 46 A 5 -ATOM 686 C CD . GLN A1 1 46 ? -20.559 9.197 -25.355 1.0 73.34 ? 46 A 5 -ATOM 687 O OE1 . GLN A1 1 46 ? -21.594 9.034 -24.707 1.0 62.34 ? 46 A 5 -ATOM 688 N NE2 . GLN A1 1 46 ? -19.352 9.125 -24.806 1.0 52.51 ? 46 A 5 -ATOM 689 H H . GLN A1 1 46 ? -20.808 9.457 -29.471 1.0 61.13 ? 46 A 5 -ATOM 690 H HA . GLN A1 1 46 ? -21.791 12.135 -28.746 1.0 1.54 ? 46 A 5 -ATOM 691 H HB2 . GLN A1 1 46 ? -21.169 11.497 -26.41 1.0 70.34 ? 46 A 5 -ATOM 692 H HB3 . GLN A1 1 46 ? -22.452 10.516 -27.106 1.0 24.41 ? 46 A 5 -ATOM 693 H HG2 . GLN A1 1 46 ? -21.072 8.659 -27.344 1.0 71.34 ? 46 A 5 -ATOM 694 H HG3 . GLN A1 1 46 ? -19.6 9.618 -27.203 1.0 12.44 ? 46 A 5 -ATOM 695 H HE21 . GLN A1 1 46 ? -18.573 9.268 -25.384 1.0 61.21 ? 46 A 5 -ATOM 696 H HE22 . GLN A1 1 46 ? -19.29 8.935 -23.848 1.0 54.41 ? 46 A 5 -ATOM 697 N N . ARG A1 1 47 ? -19.511 13.092 -28.004 1.0 11.31 ? 47 A 5 -ATOM 698 C CA . ARG A1 1 47 ? -18.206 13.742 -27.964 1.0 74.42 ? 47 A 5 -ATOM 699 C C . ARG A1 1 47 ? -17.982 14.428 -26.62 1.0 0.05 ? 47 A 5 -ATOM 700 O O . ARG A1 1 47 ? -18.931 14.704 -25.885 1.0 62.43 ? 47 A 5 -ATOM 701 C CB . ARG A1 1 47 ? -18.087 14.764 -29.097 1.0 53.24 ? 47 A 5 -ATOM 702 C CG . ARG A1 1 47 ? -16.939 14.483 -30.052 1.0 25.13 ? 47 A 5 -ATOM 703 C CD . ARG A1 1 47 ? -17.227 13.275 -30.93 1.0 74.31 ? 47 A 5 -ATOM 704 N NE . ARG A1 1 47 ? -16.943 13.542 -32.337 1.0 72.02 ? 47 A 5 -ATOM 705 C CZ . ARG A1 1 47 ? -16.912 12.599 -33.272 1.0 4.33 ? 47 A 5 -ATOM 706 N NH1 . ARG A1 1 47 ? -17.147 11.334 -32.951 1.0 22.33 ? 47 A 5 -ATOM 707 N NH2 . ARG A1 1 47 ? -16.646 12.92 -34.532 1.0 24.44 ? 47 A 5 -ATOM 708 H H . ARG A1 1 47 ? -20.283 13.547 -27.608 1.0 14.32 ? 47 A 5 -ATOM 709 H HA . ARG A1 1 47 ? -17.452 12.981 -28.097 1.0 52.1 ? 47 A 5 -ATOM 710 H HB2 . ARG A1 1 47 ? -19.006 14.764 -29.664 1.0 12.43 ? 47 A 5 -ATOM 711 H HB3 . ARG A1 1 47 ? -17.938 15.743 -28.667 1.0 31.22 ? 47 A 5 -ATOM 712 H HG2 . ARG A1 1 47 ? -16.789 15.346 -30.684 1.0 2.15 ? 47 A 5 -ATOM 713 H HG3 . ARG A1 1 47 ? -16.043 14.295 -29.478 1.0 3.22 ? 47 A 5 -ATOM 714 H HD2 . ARG A1 1 47 ? -16.613 12.451 -30.599 1.0 62.34 ? 47 A 5 -ATOM 715 H HD3 . ARG A1 1 47 ? -18.269 13.012 -30.826 1.0 4.32 ? 47 A 5 -ATOM 716 H HE . ARG A1 1 47 ? -16.767 14.47 -32.597 1.0 51.12 ? 47 A 5 -ATOM 717 H HH11 . ARG A1 1 47 ? -17.348 11.089 -32.002 1.0 35.02 ? 47 A 5 -ATOM 718 H HH12 . ARG A1 1 47 ? -17.124 10.626 -33.657 1.0 42.25 ? 47 A 5 -ATOM 719 H HH21 . ARG A1 1 47 ? -16.469 13.872 -34.778 1.0 32.54 ? 47 A 5 -ATOM 720 H HH22 . ARG A1 1 47 ? -16.623 12.209 -35.235 1.0 51.04 ? 47 A 5 -ATOM 721 N N . LEU A1 1 48 ? -16.72 14.7 -26.304 1.0 13.42 ? 48 A 5 -ATOM 722 C CA . LEU A1 1 48 ? -16.37 15.354 -25.048 1.0 63.04 ? 48 A 5 -ATOM 723 C C . LEU A1 1 48 ? -16.026 16.822 -25.276 1.0 70.54 ? 48 A 5 -ATOM 724 O O . LEU A1 1 48 ? -15.452 17.183 -26.304 1.0 13.22 ? 48 A 5 -ATOM 725 C CB . LEU A1 1 48 ? -15.189 14.638 -24.39 1.0 73.22 ? 48 A 5 -ATOM 726 C CG . LEU A1 1 48 ? -15.132 13.122 -24.582 1.0 23.01 ? 48 A 5 -ATOM 727 C CD1 . LEU A1 1 48 ? -16.519 12.514 -24.445 1.0 2.23 ? 48 A 5 -ATOM 728 C CD2 . LEU A1 1 48 ? -14.528 12.778 -25.935 1.0 62.5 ? 48 A 5 -ATOM 729 H H . LEU A1 1 48 ? -16.007 14.457 -26.93 1.0 13.1 ? 48 A 5 -ATOM 730 H HA . LEU A1 1 48 ? -17.227 15.295 -24.394 1.0 5.14 ? 48 A 5 -ATOM 731 H HB2 . LEU A1 1 48 ? -14.281 15.057 -24.795 1.0 14.35 ? 48 A 5 -ATOM 732 H HB3 . LEU A1 1 48 ? -15.233 14.837 -23.328 1.0 62.22 ? 48 A 5 -ATOM 733 H HG . LEU A1 1 48 ? -14.503 12.692 -23.815 1.0 74.12 ? 48 A 5 -ATOM 734 H HD11 . LEU A1 1 48 ? -16.98 12.447 -25.419 1.0 72.12 ? 48 A 5 -ATOM 735 H HD12 . LEU A1 1 48 ? -17.124 13.137 -23.803 1.0 51.52 ? 48 A 5 -ATOM 736 H HD13 . LEU A1 1 48 ? -16.439 11.526 -24.015 1.0 50.13 ? 48 A 5 -ATOM 737 H HD21 . LEU A1 1 48 ? -13.966 11.86 -25.856 1.0 32.51 ? 48 A 5 -ATOM 738 H HD22 . LEU A1 1 48 ? -13.872 13.576 -26.249 1.0 4.35 ? 48 A 5 -ATOM 739 H HD23 . LEU A1 1 48 ? -15.318 12.655 -26.662 1.0 44.23 ? 48 A 5 -ATOM 740 N N . ILE A1 1 49 ? -16.378 17.664 -24.31 1.0 13.31 ? 49 A 5 -ATOM 741 C CA . ILE A1 1 49 ? -16.104 19.092 -24.404 1.0 13.25 ? 49 A 5 -ATOM 742 C C . ILE A1 1 49 ? -15.654 19.655 -23.06 1.0 73.24 ? 49 A 5 -ATOM 743 O O . ILE A1 1 49 ? -16.355 19.528 -22.056 1.0 20.41 ? 49 A 5 -ATOM 744 C CB . ILE A1 1 49 ? -17.34 19.873 -24.887 1.0 42.12 ? 49 A 5 -ATOM 745 C CG1 . ILE A1 1 49 ? -17.332 19.991 -26.412 1.0 21.4 ? 49 A 5 -ATOM 746 C CG2 . ILE A1 1 49 ? -17.381 21.251 -24.244 1.0 44.11 ? 49 A 5 -ATOM 747 C CD1 . ILE A1 1 49 ? -18.617 19.526 -27.061 1.0 30.32 ? 49 A 5 -ATOM 748 H H . ILE A1 1 49 ? -16.833 17.316 -23.515 1.0 11.12 ? 49 A 5 -ATOM 749 H HA . ILE A1 1 49 ? -15.31 19.232 -25.124 1.0 31.54 ? 49 A 5 -ATOM 750 H HB . ILE A1 1 49 ? -18.222 19.332 -24.579 1.0 10.22 ? 49 A 5 -ATOM 751 H HG12 . ILE A1 1 49 ? -17.177 21.022 -26.687 1.0 52.53 ? 49 A 5 -ATOM 752 H HG13 . ILE A1 1 49 ? -16.524 19.392 -26.808 1.0 23.14 ? 49 A 5 -ATOM 753 H HG21 . ILE A1 1 49 ? -18.092 21.872 -24.769 1.0 54.41 ? 49 A 5 -ATOM 754 H HG22 . ILE A1 1 49 ? -17.682 21.157 -23.211 1.0 2.4 ? 49 A 5 -ATOM 755 H HG23 . ILE A1 1 49 ? -16.402 21.702 -24.295 1.0 53.42 ? 49 A 5 -ATOM 756 H HD11 . ILE A1 1 49 ? -19.389 20.264 -26.899 1.0 43.14 ? 49 A 5 -ATOM 757 H HD12 . ILE A1 1 49 ? -18.459 19.399 -28.122 1.0 61.33 ? 49 A 5 -ATOM 758 H HD13 . ILE A1 1 49 ? -18.921 18.586 -26.626 1.0 3.14 ? 49 A 5 -ATOM 759 N N . PHE A1 1 50 ? -14.481 20.28 -23.048 1.0 0.44 ? 50 A 5 -ATOM 760 C CA . PHE A1 1 50 ? -13.938 20.864 -21.828 1.0 63.4 ? 50 A 5 -ATOM 761 C C . PHE A1 1 50 ? -13.571 22.329 -22.042 1.0 34.31 ? 50 A 5 -ATOM 762 O O . PHE A1 1 50 ? -12.795 22.662 -22.937 1.0 24.03 ? 50 A 5 -ATOM 763 C CB . PHE A1 1 50 ? -12.706 20.081 -21.367 1.0 1.31 ? 50 A 5 -ATOM 764 C CG . PHE A1 1 50 ? -12.338 20.333 -19.933 1.0 63.44 ? 50 A 5 -ATOM 765 C CD1 . PHE A1 1 50 ? -11.742 21.526 -19.556 1.0 63.22 ? 50 A 5 -ATOM 766 C CD2 . PHE A1 1 50 ? -12.587 19.377 -18.961 1.0 31.12 ? 50 A 5 -ATOM 767 C CE1 . PHE A1 1 50 ? -11.402 21.761 -18.237 1.0 44.05 ? 50 A 5 -ATOM 768 C CE2 . PHE A1 1 50 ? -12.25 19.607 -17.641 1.0 53.14 ? 50 A 5 -ATOM 769 C CZ . PHE A1 1 50 ? -11.656 20.8 -17.279 1.0 64.24 ? 50 A 5 -ATOM 770 H H . PHE A1 1 50 ? -13.968 20.349 -23.881 1.0 32.43 ? 50 A 5 -ATOM 771 H HA . PHE A1 1 50 ? -14.699 20.803 -21.065 1.0 55.42 ? 50 A 5 -ATOM 772 H HB2 . PHE A1 1 50 ? -12.898 19.024 -21.479 1.0 72.21 ? 50 A 5 -ATOM 773 H HB3 . PHE A1 1 50 ? -11.863 20.357 -21.981 1.0 52.42 ? 50 A 5 -ATOM 774 H HD1 . PHE A1 1 50 ? -11.543 22.279 -20.306 1.0 64.41 ? 50 A 5 -ATOM 775 H HD2 . PHE A1 1 50 ? -13.051 18.443 -19.243 1.0 25.0 ? 50 A 5 -ATOM 776 H HE1 . PHE A1 1 50 ? -10.938 22.695 -17.958 1.0 33.34 ? 50 A 5 -ATOM 777 H HE2 . PHE A1 1 50 ? -12.449 18.853 -16.893 1.0 34.14 ? 50 A 5 -ATOM 778 H HZ . PHE A1 1 50 ? -11.391 20.982 -16.248 1.0 42.2 ? 50 A 5 -ATOM 779 N N . GLY A1 1 51 ? -14.137 23.202 -21.214 1.0 53.44 ? 51 A 5 -ATOM 780 C CA . GLY A1 1 51 ? -13.859 24.622 -21.33 1.0 33.5 ? 51 A 5 -ATOM 781 C C . GLY A1 1 51 ? -14.394 25.214 -22.618 1.0 34.32 ? 51 A 5 -ATOM 782 O O . GLY A1 1 51 ? -14.09 26.357 -22.958 1.0 0.02 ? 51 A 5 -ATOM 783 H H . GLY A1 1 51 ? -14.749 22.879 -20.519 1.0 14.34 ? 51 A 5 -ATOM 784 H HA2 . GLY A1 1 51 ? -14.312 25.135 -20.494 1.0 71.3 ? 51 A 5 -ATOM 785 H HA3 . GLY A1 1 51 ? -12.79 24.772 -21.295 1.0 2.33 ? 51 A 5 -ATOM 786 N N . GLY A1 1 52 ? -15.194 24.434 -23.34 1.0 51.33 ? 52 A 5 -ATOM 787 C CA . GLY A1 1 52 ? -15.758 24.906 -24.591 1.0 70.11 ? 52 A 5 -ATOM 788 C C . GLY A1 1 52 ? -15.196 24.171 -25.793 1.0 64.35 ? 52 A 5 -ATOM 789 O O . GLY A1 1 52 ? -15.877 24.011 -26.806 1.0 21.12 ? 52 A 5 -ATOM 790 H H . GLY A1 1 52 ? -15.402 23.532 -23.02 1.0 52.33 ? 52 A 5 -ATOM 791 H HA2 . GLY A1 1 52 ? -16.828 24.768 -24.566 1.0 34.31 ? 52 A 5 -ATOM 792 H HA3 . GLY A1 1 52 ? -15.543 25.959 -24.695 1.0 33.12 ? 52 A 5 -ATOM 793 N N . LYS A1 1 53 ? -13.95 23.724 -25.682 1.0 4.12 ? 53 A 5 -ATOM 794 C CA . LYS A1 1 53 ? -13.296 23.003 -26.767 1.0 20.15 ? 53 A 5 -ATOM 795 C C . LYS A1 1 53 ? -13.456 21.496 -26.593 1.0 12.34 ? 53 A 5 -ATOM 796 O O . LYS A1 1 53 ? -13.496 20.993 -25.471 1.0 53.3 ? 53 A 5 -ATOM 797 C CB . LYS A1 1 53 ? -11.81 23.366 -26.825 1.0 12.13 ? 53 A 5 -ATOM 798 C CG . LYS A1 1 53 ? -11.09 23.193 -25.499 1.0 34.42 ? 53 A 5 -ATOM 799 C CD . LYS A1 1 53 ? -10.497 21.801 -25.364 1.0 44.0 ? 53 A 5 -ATOM 800 C CE . LYS A1 1 53 ? -9.379 21.571 -26.369 1.0 75.53 ? 53 A 5 -ATOM 801 N NZ . LYS A1 1 53 ? -8.367 22.663 -26.333 1.0 61.53 ? 53 A 5 -ATOM 802 H H . LYS A1 1 53 ? -13.458 23.883 -24.848 1.0 32.12 ? 53 A 5 -ATOM 803 H HA . LYS A1 1 53 ? -13.766 23.299 -27.693 1.0 74.23 ? 53 A 5 -ATOM 804 H HB2 . LYS A1 1 53 ? -11.327 22.737 -27.558 1.0 34.02 ? 53 A 5 -ATOM 805 H HB3 . LYS A1 1 53 ? -11.716 24.398 -27.131 1.0 32.22 ? 53 A 5 -ATOM 806 H HG2 . LYS A1 1 53 ? -10.293 23.92 -25.435 1.0 24.24 ? 53 A 5 -ATOM 807 H HG3 . LYS A1 1 53 ? -11.793 23.355 -24.695 1.0 53.0 ? 53 A 5 -ATOM 808 H HD2 . LYS A1 1 53 ? -10.099 21.684 -24.367 1.0 22.42 ? 53 A 5 -ATOM 809 H HD3 . LYS A1 1 53 ? -11.275 21.07 -25.531 1.0 0.05 ? 53 A 5 -ATOM 810 H HE2 . LYS A1 1 53 ? -8.893 20.635 -26.14 1.0 25.2 ? 53 A 5 -ATOM 811 H HE3 . LYS A1 1 53 ? -9.807 21.521 -27.359 1.0 75.24 ? 53 A 5 -ATOM 812 H HZ1 . LYS A1 1 53 ? -8.53 23.328 -27.117 1.0 1.33 ? 53 A 5 -ATOM 813 H HZ2 . LYS A1 1 53 ? -7.41 22.267 -26.422 1.0 14.14 ? 53 A 5 -ATOM 814 H HZ3 . LYS A1 1 53 ? -8.433 23.182 -25.434 1.0 31.25 ? 53 A 5 -ATOM 815 N N . GLN A1 1 54 ? -13.546 20.782 -27.711 1.0 32.1 ? 54 A 5 -ATOM 816 C CA . GLN A1 1 54 ? -13.701 19.333 -27.681 1.0 3.14 ? 54 A 5 -ATOM 817 C C . GLN A1 1 54 ? -12.426 18.66 -27.182 1.0 14.5 ? 54 A 5 -ATOM 818 O O . GLN A1 1 54 ? -11.384 19.302 -27.046 1.0 22.04 ? 54 A 5 -ATOM 819 C CB . GLN A1 1 54 ? -14.058 18.808 -29.072 1.0 14.03 ? 54 A 5 -ATOM 820 C CG . GLN A1 1 54 ? -15.426 18.149 -29.141 1.0 52.41 ? 54 A 5 -ATOM 821 C CD . GLN A1 1 54 ? -15.868 17.867 -30.564 1.0 44.23 ? 54 A 5 -ATOM 822 O OE1 . GLN A1 1 54 ? -15.046 17.581 -31.436 1.0 25.33 ? 54 A 5 -ATOM 823 N NE2 . GLN A1 1 54 ? -17.171 17.947 -30.806 1.0 63.1 ? 54 A 5 -ATOM 824 H H . GLN A1 1 54 ? -13.508 21.241 -28.575 1.0 52.11 ? 54 A 5 -ATOM 825 H HA . GLN A1 1 54 ? -14.506 19.1 -27.0 1.0 62.04 ? 54 A 5 -ATOM 826 H HB2 . GLN A1 1 54 ? -14.043 19.632 -29.77 1.0 31.24 ? 54 A 5 -ATOM 827 H HB3 . GLN A1 1 54 ? -13.317 18.081 -29.371 1.0 25.42 ? 54 A 5 -ATOM 828 H HG2 . GLN A1 1 54 ? -15.389 17.214 -28.601 1.0 52.11 ? 54 A 5 -ATOM 829 H HG3 . GLN A1 1 54 ? -16.15 18.803 -28.677 1.0 53.52 ? 54 A 5 -ATOM 830 H HE21 . GLN A1 1 54 ? -17.766 18.181 -30.063 1.0 45.55 ? 54 A 5 -ATOM 831 H HE22 . GLN A1 1 54 ? -17.484 17.77 -31.717 1.0 62.42 ? 54 A 5 -ATOM 832 N N . LEU A1 1 55 ? -12.516 17.363 -26.91 1.0 51.34 ? 55 A 5 -ATOM 833 C CA . LEU A1 1 55 ? -11.37 16.601 -26.425 1.0 40.45 ? 55 A 5 -ATOM 834 C C . LEU A1 1 55 ? -11.024 15.468 -27.386 1.0 63.5 ? 55 A 5 -ATOM 835 O O . LEU A1 1 55 ? -11.885 14.672 -27.757 1.0 52.11 ? 55 A 5 -ATOM 836 C CB . LEU A1 1 55 ? -11.66 16.036 -25.034 1.0 25.03 ? 55 A 5 -ATOM 837 C CG . LEU A1 1 55 ? -12.269 17.011 -24.026 1.0 41.33 ? 55 A 5 -ATOM 838 C CD1 . LEU A1 1 55 ? -12.372 16.365 -22.653 1.0 33.24 ? 55 A 5 -ATOM 839 C CD2 . LEU A1 1 55 ? -11.447 18.289 -23.957 1.0 52.23 ? 55 A 5 -ATOM 840 H H . LEU A1 1 55 ? -13.373 16.905 -27.037 1.0 12.34 ? 55 A 5 -ATOM 841 H HA . LEU A1 1 55 ? -10.528 17.274 -26.363 1.0 22.21 ? 55 A 5 -ATOM 842 H HB2 . LEU A1 1 55 ? -12.344 15.209 -25.149 1.0 55.1 ? 55 A 5 -ATOM 843 H HB3 . LEU A1 1 55 ? -10.727 15.674 -24.624 1.0 51.11 ? 55 A 5 -ATOM 844 H HG . LEU A1 1 55 ? -13.268 17.272 -24.347 1.0 72.12 ? 55 A 5 -ATOM 845 H HD11 . LEU A1 1 55 ? -11.574 15.649 -22.532 1.0 32.04 ? 55 A 5 -ATOM 846 H HD12 . LEU A1 1 55 ? -13.323 15.863 -22.562 1.0 44.35 ? 55 A 5 -ATOM 847 H HD13 . LEU A1 1 55 ? -12.292 17.126 -21.891 1.0 32.21 ? 55 A 5 -ATOM 848 H HD21 . LEU A1 1 55 ? -11.237 18.527 -22.924 1.0 33.14 ? 55 A 5 -ATOM 849 H HD22 . LEU A1 1 55 ? -12.002 19.099 -24.407 1.0 72.01 ? 55 A 5 -ATOM 850 H HD23 . LEU A1 1 55 ? -10.518 18.149 -24.49 1.0 74.33 ? 55 A 5 -ATOM 851 N N . GLU A1 1 56 ? -9.756 15.401 -27.782 1.0 12.02 ? 56 A 5 -ATOM 852 C CA . GLU A1 1 56 ? -9.297 14.364 -28.698 1.0 31.33 ? 56 A 5 -ATOM 853 C C . GLU A1 1 56 ? -9.356 12.99 -28.037 1.0 62.51 ? 56 A 5 -ATOM 854 O O . GLU A1 1 56 ? -9.821 12.852 -26.906 1.0 51.02 ? 56 A 5 -ATOM 855 C CB . GLU A1 1 56 ? -7.869 14.658 -29.162 1.0 62.01 ? 56 A 5 -ATOM 856 C CG . GLU A1 1 56 ? -7.679 16.07 -29.69 1.0 21.02 ? 56 A 5 -ATOM 857 C CD . GLU A1 1 56 ? -8.797 16.5 -30.62 1.0 1.0 ? 56 A 5 -ATOM 858 O OE1 . GLU A1 1 56 ? -9.243 15.666 -31.436 1.0 61.34 ? 56 A 5 -ATOM 859 O OE2 . GLU A1 1 56 ? -9.226 17.669 -30.533 1.0 22.01 ? 56 A 5 -ATOM 860 H H . GLU A1 1 56 ? -9.116 16.065 -27.451 1.0 72.43 ? 56 A 5 -ATOM 861 H HA . GLU A1 1 56 ? -9.952 14.366 -29.556 1.0 4.21 ? 56 A 5 -ATOM 862 H HB2 . GLU A1 1 56 ? -7.196 14.514 -28.329 1.0 41.11 ? 56 A 5 -ATOM 863 H HB3 . GLU A1 1 56 ? -7.609 13.964 -29.947 1.0 51.02 ? 56 A 5 -ATOM 864 H HG2 . GLU A1 1 56 ? -7.645 16.752 -28.854 1.0 71.31 ? 56 A 5 -ATOM 865 H HG3 . GLU A1 1 56 ? -6.744 16.116 -30.229 1.0 60.44 ? 56 A 5 -ATOM 866 N N . ASP A1 1 57 ? -8.882 11.975 -28.752 1.0 71.03 ? 57 A 5 -ATOM 867 C CA . ASP A1 1 57 ? -8.879 10.611 -28.236 1.0 63.41 ? 57 A 5 -ATOM 868 C C . ASP A1 1 57 ? -7.821 10.443 -27.151 1.0 21.4 ? 57 A 5 -ATOM 869 O O . ASP A1 1 57 ? -7.934 9.57 -26.29 1.0 43.31 ? 57 A 5 -ATOM 870 C CB . ASP A1 1 57 ? -8.629 9.615 -29.37 1.0 45.31 ? 57 A 5 -ATOM 871 C CG . ASP A1 1 57 ? -9.65 9.737 -30.484 1.0 55.43 ? 57 A 5 -ATOM 872 O OD1 . ASP A1 1 57 ? -10.832 9.418 -30.242 1.0 72.35 ? 57 A 5 -ATOM 873 O OD2 . ASP A1 1 57 ? -9.266 10.151 -31.598 1.0 15.11 ? 57 A 5 -ATOM 874 H H . ASP A1 1 57 ? -8.524 12.148 -29.648 1.0 23.12 ? 57 A 5 -ATOM 875 H HA . ASP A1 1 57 ? -9.851 10.417 -27.807 1.0 62.14 ? 57 A 5 -ATOM 876 H HB2 . ASP A1 1 57 ? -7.647 9.792 -29.785 1.0 24.44 ? 57 A 5 -ATOM 877 H HB3 . ASP A1 1 57 ? -8.672 8.611 -28.974 1.0 64.03 ? 57 A 5 -ATOM 878 N N . SER A1 1 58 ? -6.792 11.283 -27.199 1.0 32.51 ? 58 A 5 -ATOM 879 C CA . SER A1 1 58 ? -5.71 11.224 -26.223 1.0 62.24 ? 58 A 5 -ATOM 880 C C . SER A1 1 58 ? -5.746 12.437 -25.299 1.0 2.12 ? 58 A 5 -ATOM 881 O O . SER A1 1 58 ? -4.872 12.61 -24.449 1.0 12.21 ? 58 A 5 -ATOM 882 C CB . SER A1 1 58 ? -4.357 11.148 -26.933 1.0 65.11 ? 58 A 5 -ATOM 883 O OG . SER A1 1 58 ? -3.312 10.89 -26.012 1.0 34.21 ? 58 A 5 -ATOM 884 H H . SER A1 1 58 ? -6.759 11.957 -27.91 1.0 21.03 ? 58 A 5 -ATOM 885 H HA . SER A1 1 58 ? -5.847 10.331 -25.631 1.0 33.55 ? 58 A 5 -ATOM 886 H HB2 . SER A1 1 58 ? -4.381 10.355 -27.664 1.0 31.42 ? 58 A 5 -ATOM 887 H HB3 . SER A1 1 58 ? -4.161 12.088 -27.428 1.0 40.4 ? 58 A 5 -ATOM 888 H HG . SER A1 1 58 ? -2.517 11.35 -26.293 1.0 10.23 ? 58 A 5 -ATOM 889 N N . ASN A1 1 59 ? -6.762 13.276 -25.472 1.0 35.41 ? 59 A 5 -ATOM 890 C CA . ASN A1 1 59 ? -6.912 14.474 -24.655 1.0 52.34 ? 59 A 5 -ATOM 891 C C . ASN A1 1 59 ? -7.634 14.155 -23.349 1.0 4.01 ? 59 A 5 -ATOM 892 O O . ASN A1 1 59 ? -8.831 14.405 -23.213 1.0 42.21 ? 59 A 5 -ATOM 893 C CB . ASN A1 1 59 ? -7.68 15.55 -25.426 1.0 21.1 ? 59 A 5 -ATOM 894 C CG . ASN A1 1 59 ? -7.359 16.95 -24.939 1.0 14.54 ? 59 A 5 -ATOM 895 O OD1 . ASN A1 1 59 ? -6.91 17.139 -23.809 1.0 24.42 ? 59 A 5 -ATOM 896 N ND2 . ASN A1 1 59 ? -7.589 17.94 -25.794 1.0 14.44 ? 59 A 5 -ATOM 897 H H . ASN A1 1 59 ? -7.427 13.084 -26.166 1.0 5.51 ? 59 A 5 -ATOM 898 H HA . ASN A1 1 59 ? -5.924 14.844 -24.425 1.0 74.51 ? 59 A 5 -ATOM 899 H HB2 . ASN A1 1 59 ? -7.423 15.486 -26.473 1.0 43.43 ? 59 A 5 -ATOM 900 H HB3 . ASN A1 1 59 ? -8.74 15.381 -25.308 1.0 11.21 ? 59 A 5 -ATOM 901 H HD21 . ASN A1 1 59 ? -7.947 17.715 -26.678 1.0 21.33 ? 59 A 5 -ATOM 902 H HD22 . ASN A1 1 59 ? -7.389 18.855 -25.506 1.0 12.0 ? 59 A 5 -ATOM 903 N N . ALA A1 1 60 ? -6.897 13.602 -22.391 1.0 13.11 ? 60 A 5 -ATOM 904 C CA . ALA A1 1 60 ? -7.466 13.252 -21.096 1.0 35.51 ? 60 A 5 -ATOM 905 C C . ALA A1 1 60 ? -6.383 12.785 -20.129 1.0 74.01 ? 60 A 5 -ATOM 906 O O . ALA A1 1 60 ? -5.922 13.55 -19.283 1.0 74.24 ? 60 A 5 -ATOM 907 C CB . ALA A1 1 60 ? -8.529 12.176 -21.26 1.0 64.13 ? 60 A 5 -ATOM 908 H H . ALA A1 1 60 ? -5.948 13.428 -22.56 1.0 31.12 ? 60 A 5 -ATOM 909 H HA . ALA A1 1 60 ? -7.941 14.134 -20.69 1.0 20.01 ? 60 A 5 -ATOM 910 H HB1 . ALA A1 1 60 ? -9.329 12.554 -21.88 1.0 72.33 ? 60 A 5 -ATOM 911 H HB2 . ALA A1 1 60 ? -8.092 11.306 -21.726 1.0 25.02 ? 60 A 5 -ATOM 912 H HB3 . ALA A1 1 60 ? -8.922 11.907 -20.291 1.0 51.02 ? 60 A 5 -ATOM 913 N N . MET A1 1 61 ? -5.983 11.525 -20.26 1.0 21.52 ? 61 A 5 -ATOM 914 C CA . MET A1 1 61 ? -4.953 10.956 -19.398 1.0 32.03 ? 61 A 5 -ATOM 915 C C . MET A1 1 61 ? -3.574 11.485 -19.777 1.0 55.14 ? 61 A 5 -ATOM 916 O O . MET A1 1 61 ? -2.887 12.097 -18.958 1.0 73.23 ? 61 A 5 -ATOM 917 C CB . MET A1 1 61 ? -4.969 9.429 -19.487 1.0 33.12 ? 61 A 5 -ATOM 918 C CG . MET A1 1 61 ? -6.368 8.838 -19.546 1.0 10.31 ? 61 A 5 -ATOM 919 S SD . MET A1 1 61 ? -7.46 9.511 -18.278 1.0 3.45 ? 61 A 5 -ATOM 920 C CE . MET A1 1 61 ? -9.022 9.532 -19.154 1.0 11.34 ? 61 A 5 -ATOM 921 H H . MET A1 1 61 ? -6.388 10.963 -20.954 1.0 44.35 ? 61 A 5 -ATOM 922 H HA . MET A1 1 61 ? -5.172 11.251 -18.382 1.0 14.21 ? 61 A 5 -ATOM 923 H HB2 . MET A1 1 61 ? -4.436 9.127 -20.376 1.0 14.23 ? 61 A 5 -ATOM 924 H HB3 . MET A1 1 61 ? -4.467 9.024 -18.621 1.0 0.24 ? 61 A 5 -ATOM 925 H HG2 . MET A1 1 61 ? -6.793 9.049 -20.515 1.0 62.14 ? 61 A 5 -ATOM 926 H HG3 . MET A1 1 61 ? -6.298 7.769 -19.411 1.0 32.0 ? 61 A 5 -ATOM 927 H HE1 . MET A1 1 61 ? -8.846 9.376 -20.208 1.0 54.23 ? 61 A 5 -ATOM 928 H HE2 . MET A1 1 61 ? -9.658 8.745 -18.775 1.0 64.31 ? 61 A 5 -ATOM 929 H HE3 . MET A1 1 61 ? -9.504 10.487 -19.007 1.0 24.11 ? 61 A 5 -ATOM 930 N N . SER A1 1 62 ? -3.174 11.246 -21.021 1.0 73.15 ? 62 A 5 -ATOM 931 C CA . SER A1 1 62 ? -1.874 11.695 -21.507 1.0 12.22 ? 62 A 5 -ATOM 932 C C . SER A1 1 62 ? -1.736 13.208 -21.369 1.0 13.52 ? 62 A 5 -ATOM 933 O O . SER A1 1 62 ? -0.643 13.723 -21.13 1.0 42.51 ? 62 A 5 -ATOM 934 C CB . SER A1 1 62 ? -1.683 11.285 -22.969 1.0 62.33 ? 62 A 5 -ATOM 935 O OG . SER A1 1 62 ? -0.771 12.149 -23.625 1.0 14.13 ? 62 A 5 -ATOM 936 H H . SER A1 1 62 ? -3.767 10.753 -21.627 1.0 74.25 ? 62 A 5 -ATOM 937 H HA . SER A1 1 62 ? -1.114 11.219 -20.906 1.0 74.15 ? 62 A 5 -ATOM 938 H HB2 . SER A1 1 62 ? -1.3 10.277 -23.01 1.0 54.41 ? 62 A 5 -ATOM 939 H HB3 . SER A1 1 62 ? -2.634 11.33 -23.479 1.0 23.45 ? 62 A 5 -ATOM 940 H HG . SER A1 1 62 ? 0.055 11.685 -23.778 1.0 1.23 ? 62 A 5 -ATOM 941 N N . ASP A1 1 63 ? -2.851 13.914 -21.52 1.0 34.33 ? 63 A 5 -ATOM 942 C CA . ASP A1 1 63 ? -2.856 15.368 -21.411 1.0 10.21 ? 63 A 5 -ATOM 943 C C . ASP A1 1 63 ? -2.454 15.809 -20.007 1.0 63.54 ? 63 A 5 -ATOM 944 O O . ASP A1 1 63 ? -1.964 16.922 -19.811 1.0 31.33 ? 63 A 5 -ATOM 945 C CB . ASP A1 1 63 ? -4.239 15.922 -21.757 1.0 21.1 ? 63 A 5 -ATOM 946 C CG . ASP A1 1 63 ? -4.184 17.36 -22.232 1.0 12.2 ? 63 A 5 -ATOM 947 O OD1 . ASP A1 1 63 ? -3.598 17.608 -23.307 1.0 53.24 ? 63 A 5 -ATOM 948 O OD2 . ASP A1 1 63 ? -4.728 18.238 -21.53 1.0 3.13 ? 63 A 5 -ATOM 949 H H . ASP A1 1 63 ? -3.691 13.445 -21.709 1.0 14.4 ? 63 A 5 -ATOM 950 H HA . ASP A1 1 63 ? -2.137 15.756 -22.116 1.0 72.42 ? 63 A 5 -ATOM 951 H HB2 . ASP A1 1 63 ? -4.676 15.32 -22.54 1.0 63.34 ? 63 A 5 -ATOM 952 H HB3 . ASP A1 1 63 ? -4.868 15.875 -20.88 1.0 44.51 ? 63 A 5 -ATOM 953 N N . TYR A1 1 64 ? -2.665 14.93 -19.033 1.0 43.15 ? 64 A 5 -ATOM 954 C CA . TYR A1 1 64 ? -2.328 15.23 -17.647 1.0 74.44 ? 64 A 5 -ATOM 955 C C . TYR A1 1 64 ? -3.401 16.103 -17.002 1.0 35.31 ? 64 A 5 -ATOM 956 O O . TYR A1 1 64 ? -3.127 16.851 -16.064 1.0 63.11 ? 64 A 5 -ATOM 957 C CB . TYR A1 1 64 ? -0.971 15.932 -17.57 1.0 41.31 ? 64 A 5 -ATOM 958 C CG . TYR A1 1 64 ? -0.087 15.421 -16.455 1.0 35.31 ? 64 A 5 -ATOM 959 C CD1 . TYR A1 1 64 ? -0.606 15.174 -15.189 1.0 10.21 ? 64 A 5 -ATOM 960 C CD2 . TYR A1 1 64 ? 1.266 15.186 -16.665 1.0 61.0 ? 64 A 5 -ATOM 961 C CE1 . TYR A1 1 64 ? 0.198 14.707 -14.167 1.0 31.32 ? 64 A 5 -ATOM 962 C CE2 . TYR A1 1 64 ? 2.076 14.719 -15.649 1.0 3.01 ? 64 A 5 -ATOM 963 C CZ . TYR A1 1 64 ? 1.538 14.481 -14.402 1.0 35.43 ? 64 A 5 -ATOM 964 O OH . TYR A1 1 64 ? 2.342 14.017 -13.386 1.0 23.32 ? 64 A 5 -ATOM 965 H H . TYR A1 1 64 ? -3.058 14.06 -19.252 1.0 10.22 ? 64 A 5 -ATOM 966 H HA . TYR A1 1 64 ? -2.269 14.295 -17.11 1.0 40.51 ? 64 A 5 -ATOM 967 H HB2 . TYR A1 1 64 ? -0.445 15.787 -18.501 1.0 75.32 ? 64 A 5 -ATOM 968 H HB3 . TYR A1 1 64 ? -1.128 16.989 -17.412 1.0 32.34 ? 64 A 5 -ATOM 969 H HD1 . TYR A1 1 64 ? -1.656 15.352 -15.009 1.0 1.35 ? 64 A 5 -ATOM 970 H HD2 . TYR A1 1 64 ? 1.685 15.374 -17.643 1.0 32.41 ? 64 A 5 -ATOM 971 H HE1 . TYR A1 1 64 ? -0.224 14.521 -13.19 1.0 52.21 ? 64 A 5 -ATOM 972 H HE2 . TYR A1 1 64 ? 3.126 14.542 -15.833 1.0 43.14 ? 64 A 5 -ATOM 973 H HH . TYR A1 1 64 ? 3.158 13.671 -13.757 1.0 23.33 ? 64 A 5 -ATOM 974 N N . ASN A1 1 65 ? -4.624 15.999 -17.512 1.0 61.21 ? 65 A 5 -ATOM 975 C CA . ASN A1 1 65 ? -5.739 16.778 -16.987 1.0 70.22 ? 65 A 5 -ATOM 976 C C . ASN A1 1 65 ? -6.75 15.875 -16.286 1.0 21.44 ? 65 A 5 -ATOM 977 O O . ASN A1 1 65 ? -7.866 16.296 -15.98 1.0 22.24 ? 65 A 5 -ATOM 978 C CB . ASN A1 1 65 ? -6.425 17.551 -18.115 1.0 30.31 ? 65 A 5 -ATOM 979 C CG . ASN A1 1 65 ? -7.301 18.675 -17.597 1.0 75.23 ? 65 A 5 -ATOM 980 O OD1 . ASN A1 1 65 ? -6.877 19.471 -16.758 1.0 74.2 ? 65 A 5 -ATOM 981 N ND2 . ASN A1 1 65 ? -8.529 18.746 -18.095 1.0 12.4 ? 65 A 5 -ATOM 982 H H . ASN A1 1 65 ? -4.78 15.385 -18.26 1.0 72.01 ? 65 A 5 -ATOM 983 H HA . ASN A1 1 65 ? -5.344 17.481 -16.269 1.0 43.44 ? 65 A 5 -ATOM 984 H HB2 . ASN A1 1 65 ? -5.671 17.977 -18.761 1.0 12.24 ? 65 A 5 -ATOM 985 H HB3 . ASN A1 1 65 ? -7.041 16.873 -18.686 1.0 73.02 ? 65 A 5 -ATOM 986 H HD21 . ASN A1 1 65 ? -8.799 18.078 -18.76 1.0 23.44 ? 65 A 5 -ATOM 987 H HD22 . ASN A1 1 65 ? -9.117 19.463 -17.778 1.0 32.24 ? 65 A 5 -ATOM 988 N N . VAL A1 1 66 ? -6.352 14.632 -16.035 1.0 11.4 ? 66 A 5 -ATOM 989 C CA . VAL A1 1 66 ? -7.222 13.67 -15.369 1.0 70.45 ? 66 A 5 -ATOM 990 C C . VAL A1 1 66 ? -7.037 13.717 -13.857 1.0 73.11 ? 66 A 5 -ATOM 991 O O . VAL A1 1 66 ? -5.925 13.563 -13.353 1.0 33.12 ? 66 A 5 -ATOM 992 C CB . VAL A1 1 66 ? -6.955 12.236 -15.864 1.0 40.11 ? 66 A 5 -ATOM 993 C CG1 . VAL A1 1 66 ? -5.524 11.822 -15.554 1.0 32.21 ? 66 A 5 -ATOM 994 C CG2 . VAL A1 1 66 ? -7.947 11.265 -15.241 1.0 25.13 ? 66 A 5 -ATOM 995 H H . VAL A1 1 66 ? -5.451 14.356 -16.304 1.0 25.31 ? 66 A 5 -ATOM 996 H HA . VAL A1 1 66 ? -8.245 13.925 -15.606 1.0 44.24 ? 66 A 5 -ATOM 997 H HB . VAL A1 1 66 ? -7.088 12.216 -16.936 1.0 65.05 ? 66 A 5 -ATOM 998 H HG11 . VAL A1 1 66 ? -5.422 11.648 -14.493 1.0 62.5 ? 66 A 5 -ATOM 999 H HG12 . VAL A1 1 66 ? -5.287 10.916 -16.093 1.0 4.5 ? 66 A 5 -ATOM 1000 H HG13 . VAL A1 1 66 ? -4.849 12.609 -15.856 1.0 12.32 ? 66 A 5 -ATOM 1001 H HG21 . VAL A1 1 66 ? -8.951 11.553 -15.513 1.0 23.4 ? 66 A 5 -ATOM 1002 H HG22 . VAL A1 1 66 ? -7.747 10.267 -15.602 1.0 64.2 ? 66 A 5 -ATOM 1003 H HG23 . VAL A1 1 66 ? -7.845 11.286 -14.166 1.0 74.31 ? 66 A 5 -ATOM 1004 N N . GLN A1 1 67 ? -8.135 13.93 -13.139 1.0 5.43 ? 67 A 5 -ATOM 1005 C CA . GLN A1 1 67 ? -8.093 13.998 -11.683 1.0 15.5 ? 67 A 5 -ATOM 1006 C C . GLN A1 1 67 ? -9.034 12.97 -11.063 1.0 62.54 ? 67 A 5 -ATOM 1007 O O . GLN A1 1 67 ? -9.674 12.192 -11.771 1.0 44.01 ? 67 A 5 -ATOM 1008 C CB . GLN A1 1 67 ? -8.468 15.402 -11.205 1.0 35.11 ? 67 A 5 -ATOM 1009 C CG . GLN A1 1 67 ? -9.873 15.825 -11.602 1.0 11.21 ? 67 A 5 -ATOM 1010 C CD . GLN A1 1 67 ? -10.524 16.726 -10.572 1.0 34.44 ? 67 A 5 -ATOM 1011 O OE1 . GLN A1 1 67 ? -10.509 16.434 -9.376 1.0 41.54 ? 67 A 5 -ATOM 1012 N NE2 . GLN A1 1 67 ? -11.101 17.831 -11.031 1.0 50.51 ? 67 A 5 -ATOM 1013 H H . GLN A1 1 67 ? -8.992 14.046 -13.598 1.0 54.23 ? 67 A 5 -ATOM 1014 H HA . GLN A1 1 67 ? -7.084 13.778 -11.369 1.0 21.13 ? 67 A 5 -ATOM 1015 H HB2 . GLN A1 1 67 ? -8.396 15.434 -10.128 1.0 61.05 ? 67 A 5 -ATOM 1016 H HB3 . GLN A1 1 67 ? -7.77 16.11 -11.626 1.0 21.05 ? 67 A 5 -ATOM 1017 H HG2 . GLN A1 1 67 ? -9.823 16.356 -12.542 1.0 63.24 ? 67 A 5 -ATOM 1018 H HG3 . GLN A1 1 67 ? -10.481 14.941 -11.722 1.0 63.02 ? 67 A 5 -ATOM 1019 H HE21 . GLN A1 1 67 ? -11.075 17.999 -11.997 1.0 0.12 ? 67 A 5 -ATOM 1020 H HE22 . GLN A1 1 67 ? -11.53 18.431 -10.387 1.0 72.41 ? 67 A 5 -ATOM 1021 N N . LYS A1 1 68 ? -9.112 12.971 -9.737 1.0 63.33 ? 68 A 5 -ATOM 1022 C CA . LYS A1 1 68 ? -9.975 12.039 -9.02 1.0 34.0 ? 68 A 5 -ATOM 1023 C C . LYS A1 1 68 ? -11.444 12.315 -9.323 1.0 33.21 ? 68 A 5 -ATOM 1024 O O . LYS A1 1 68 ? -12.268 11.401 -9.328 1.0 33.01 ? 68 A 5 -ATOM 1025 C CB . LYS A1 1 68 ? -9.727 12.138 -7.513 1.0 41.41 ? 68 A 5 -ATOM 1026 C CG . LYS A1 1 68 ? -10.22 10.93 -6.735 1.0 61.44 ? 68 A 5 -ATOM 1027 C CD . LYS A1 1 68 ? -9.39 9.694 -7.04 1.0 43.41 ? 68 A 5 -ATOM 1028 C CE . LYS A1 1 68 ? -8.071 9.707 -6.282 1.0 23.43 ? 68 A 5 -ATOM 1029 N NZ . LYS A1 1 68 ? -8.279 9.76 -4.808 1.0 52.05 ? 68 A 5 -ATOM 1030 H H . LYS A1 1 68 ? -8.577 13.615 -9.227 1.0 75.53 ? 68 A 5 -ATOM 1031 H HA . LYS A1 1 68 ? -9.733 11.04 -9.352 1.0 31.4 ? 68 A 5 -ATOM 1032 H HB2 . LYS A1 1 68 ? -8.666 12.242 -7.341 1.0 51.5 ? 68 A 5 -ATOM 1033 H HB3 . LYS A1 1 68 ? -10.232 13.014 -7.134 1.0 62.4 ? 68 A 5 -ATOM 1034 H HG2 . LYS A1 1 68 ? -10.155 11.142 -5.678 1.0 22.33 ? 68 A 5 -ATOM 1035 H HG3 . LYS A1 1 68 ? -11.249 10.736 -7.003 1.0 45.02 ? 68 A 5 -ATOM 1036 H HD2 . LYS A1 1 68 ? -9.948 8.816 -6.752 1.0 14.2 ? 68 A 5 -ATOM 1037 H HD3 . LYS A1 1 68 ? -9.185 9.661 -8.101 1.0 13.53 ? 68 A 5 -ATOM 1038 H HE2 . LYS A1 1 68 ? -7.521 8.812 -6.527 1.0 43.13 ? 68 A 5 -ATOM 1039 H HE3 . LYS A1 1 68 ? -7.504 10.574 -6.588 1.0 63.42 ? 68 A 5 -ATOM 1040 H HZ1 . LYS A1 1 68 ? -7.662 9.07 -4.335 1.0 1.54 ? 68 A 5 -ATOM 1041 H HZ2 . LYS A1 1 68 ? -9.269 9.538 -4.579 1.0 73.32 ? 68 A 5 -ATOM 1042 H HZ3 . LYS A1 1 68 ? -8.057 10.71 -4.45 1.0 23.44 ? 68 A 5 -ATOM 1043 N N . GLU A1 1 69 ? -11.764 13.58 -9.577 1.0 51.1 ? 69 A 5 -ATOM 1044 C CA . GLU A1 1 69 ? -13.135 13.974 -9.882 1.0 15.41 ? 69 A 5 -ATOM 1045 C C . GLU A1 1 69 ? -13.159 15.175 -10.823 1.0 20.25 ? 69 A 5 -ATOM 1046 O O . GLU A1 1 69 ? -13.301 16.317 -10.386 1.0 55.15 ? 69 A 5 -ATOM 1047 C CB . GLU A1 1 69 ? -13.892 14.306 -8.594 1.0 42.14 ? 69 A 5 -ATOM 1048 C CG . GLU A1 1 69 ? -13.102 15.176 -7.631 1.0 32.44 ? 69 A 5 -ATOM 1049 C CD . GLU A1 1 69 ? -13.966 16.208 -6.933 1.0 60.3 ? 69 A 5 -ATOM 1050 O OE1 . GLU A1 1 69 ? -14.856 16.783 -7.595 1.0 52.11 ? 69 A 5 -ATOM 1051 O OE2 . GLU A1 1 69 ? -13.753 16.44 -5.725 1.0 33.22 ? 69 A 5 -ATOM 1052 H H . GLU A1 1 69 ? -11.063 14.264 -9.559 1.0 51.55 ? 69 A 5 -ATOM 1053 H HA . GLU A1 1 69 ? -13.619 13.141 -10.369 1.0 21.13 ? 69 A 5 -ATOM 1054 H HB2 . GLU A1 1 69 ? -14.804 14.825 -8.851 1.0 70.35 ? 69 A 5 -ATOM 1055 H HB3 . GLU A1 1 69 ? -14.142 13.384 -8.091 1.0 25.14 ? 69 A 5 -ATOM 1056 H HG2 . GLU A1 1 69 ? -12.649 14.543 -6.882 1.0 60.54 ? 69 A 5 -ATOM 1057 H HG3 . GLU A1 1 69 ? -12.327 15.69 -8.182 1.0 2.43 ? 69 A 5 -ATOM 1058 N N . SER A1 1 70 ? -13.017 14.908 -12.117 1.0 51.41 ? 70 A 5 -ATOM 1059 C CA . SER A1 1 70 ? -13.018 15.967 -13.121 1.0 50.24 ? 70 A 5 -ATOM 1060 C C . SER A1 1 70 ? -14.389 16.09 -13.779 1.0 72.1 ? 70 A 5 -ATOM 1061 O O . SER A1 1 70 ? -14.974 15.098 -14.215 1.0 13.02 ? 70 A 5 -ATOM 1062 C CB . SER A1 1 70 ? -11.952 15.691 -14.184 1.0 75.43 ? 70 A 5 -ATOM 1063 O OG . SER A1 1 70 ? -12.479 15.857 -15.489 1.0 45.33 ? 70 A 5 -ATOM 1064 H H . SER A1 1 70 ? -12.907 13.977 -12.404 1.0 42.55 ? 70 A 5 -ATOM 1065 H HA . SER A1 1 70 ? -12.785 16.896 -12.623 1.0 61.25 ? 70 A 5 -ATOM 1066 H HB2 . SER A1 1 70 ? -11.13 16.377 -14.051 1.0 1.23 ? 70 A 5 -ATOM 1067 H HB3 . SER A1 1 70 ? -11.596 14.677 -14.078 1.0 50.33 ? 70 A 5 -ATOM 1068 H HG . SER A1 1 70 ? -11.919 16.455 -15.987 1.0 14.24 ? 70 A 5 -ATOM 1069 N N . THR A1 1 71 ? -14.897 17.317 -13.847 1.0 52.55 ? 71 A 5 -ATOM 1070 C CA . THR A1 1 71 ? -16.199 17.572 -14.449 1.0 43.33 ? 71 A 5 -ATOM 1071 C C . THR A1 1 71 ? -16.059 17.958 -15.917 1.0 63.44 ? 71 A 5 -ATOM 1072 O O . THR A1 1 71 ? -15.494 19.003 -16.244 1.0 13.52 ? 71 A 5 -ATOM 1073 C CB . THR A1 1 71 ? -16.953 18.691 -13.706 1.0 4.41 ? 71 A 5 -ATOM 1074 O OG1 . THR A1 1 71 ? -16.033 19.704 -13.282 1.0 4.41 ? 71 A 5 -ATOM 1075 C CG2 . THR A1 1 71 ? -17.694 18.135 -12.499 1.0 4.35 ? 71 A 5 -ATOM 1076 H H . THR A1 1 71 ? -14.383 18.067 -13.481 1.0 14.04 ? 71 A 5 -ATOM 1077 H HA . THR A1 1 71 ? -16.783 16.666 -14.379 1.0 24.13 ? 71 A 5 -ATOM 1078 H HB . THR A1 1 71 ? -17.673 19.13 -14.381 1.0 70.41 ? 71 A 5 -ATOM 1079 H HG1 . THR A1 1 71 ? -16.384 20.569 -13.506 1.0 53.11 ? 71 A 5 -ATOM 1080 H HG21 . THR A1 1 71 ? -17.775 18.901 -11.743 1.0 12.42 ? 71 A 5 -ATOM 1081 H HG22 . THR A1 1 71 ? -17.15 17.292 -12.1 1.0 75.2 ? 71 A 5 -ATOM 1082 H HG23 . THR A1 1 71 ? -18.682 17.818 -12.798 1.0 31.12 ? 71 A 5 -ATOM 1083 N N . LEU A1 1 72 ? -16.578 17.111 -16.799 1.0 74.32 ? 72 A 5 -ATOM 1084 C CA . LEU A1 1 72 ? -16.511 17.364 -18.234 1.0 62.12 ? 72 A 5 -ATOM 1085 C C . LEU A1 1 72 ? -17.903 17.328 -18.859 1.0 14.1 ? 72 A 5 -ATOM 1086 O O . LEU A1 1 72 ? -18.802 16.651 -18.358 1.0 22.33 ? 72 A 5 -ATOM 1087 C CB . LEU A1 1 72 ? -15.609 16.332 -18.913 1.0 54.24 ? 72 A 5 -ATOM 1088 C CG . LEU A1 1 72 ? -16.316 15.127 -19.533 1.0 12.34 ? 72 A 5 -ATOM 1089 C CD1 . LEU A1 1 72 ? -16.606 15.377 -21.005 1.0 71.53 ? 72 A 5 -ATOM 1090 C CD2 . LEU A1 1 72 ? -15.477 13.869 -19.36 1.0 45.31 ? 72 A 5 -ATOM 1091 H H . LEU A1 1 72 ? -17.016 16.295 -16.479 1.0 40.44 ? 72 A 5 -ATOM 1092 H HA . LEU A1 1 72 ? -16.091 18.348 -18.378 1.0 22.23 ? 72 A 5 -ATOM 1093 H HB2 . LEU A1 1 72 ? -15.063 16.835 -19.696 1.0 24.33 ? 72 A 5 -ATOM 1094 H HB3 . LEU A1 1 72 ? -14.913 15.964 -18.172 1.0 64.44 ? 72 A 5 -ATOM 1095 H HG . LEU A1 1 72 ? -17.26 14.972 -19.029 1.0 60.22 ? 72 A 5 -ATOM 1096 H HD11 . LEU A1 1 72 ? -16.193 14.573 -21.595 1.0 22.12 ? 72 A 5 -ATOM 1097 H HD12 . LEU A1 1 72 ? -16.156 16.312 -21.306 1.0 11.12 ? 72 A 5 -ATOM 1098 H HD13 . LEU A1 1 72 ? -17.674 15.426 -21.158 1.0 74.11 ? 72 A 5 -ATOM 1099 H HD21 . LEU A1 1 72 ? -14.429 14.124 -19.417 1.0 45.11 ? 72 A 5 -ATOM 1100 H HD22 . LEU A1 1 72 ? -15.719 13.164 -20.142 1.0 64.51 ? 72 A 5 -ATOM 1101 H HD23 . LEU A1 1 72 ? -15.689 13.425 -18.398 1.0 15.53 ? 72 A 5 -ATOM 1102 N N . HIS A1 1 73 ? -18.072 18.059 -19.956 1.0 22.1 ? 73 A 5 -ATOM 1103 C CA . HIS A1 1 73 ? -19.354 18.109 -20.65 1.0 43.22 ? 73 A 5 -ATOM 1104 C C . HIS A1 1 73 ? -19.371 17.14 -21.829 1.0 1.12 ? 73 A 5 -ATOM 1105 O O . HIS A1 1 73 ? -18.554 17.246 -22.745 1.0 41.41 ? 73 A 5 -ATOM 1106 C CB . HIS A1 1 73 ? -19.638 19.529 -21.139 1.0 34.11 ? 73 A 5 -ATOM 1107 C CG . HIS A1 1 73 ? -21.061 19.747 -21.552 1.0 25.31 ? 73 A 5 -ATOM 1108 N ND1 . HIS A1 1 73 ? -21.778 20.876 -21.217 1.0 22.31 ? 73 A 5 -ATOM 1109 C CD2 . HIS A1 1 73 ? -21.901 18.972 -22.279 1.0 30.12 ? 73 A 5 -ATOM 1110 C CE1 . HIS A1 1 73 ? -22.997 20.786 -21.719 1.0 74.03 ? 73 A 5 -ATOM 1111 N NE2 . HIS A1 1 73 ? -23.097 19.64 -22.368 1.0 22.32 ? 73 A 5 -ATOM 1112 H H . HIS A1 1 73 ? -17.318 18.577 -20.306 1.0 41.1 ? 73 A 5 -ATOM 1113 H HA . HIS A1 1 73 ? -20.122 17.817 -19.95 1.0 23.25 ? 73 A 5 -ATOM 1114 H HB2 . HIS A1 1 73 ? -19.414 20.227 -20.346 1.0 51.13 ? 73 A 5 -ATOM 1115 H HB3 . HIS A1 1 73 ? -19.008 19.744 -21.99 1.0 64.13 ? 73 A 5 -ATOM 1116 H HD1 . HIS A1 1 73 ? -21.444 21.63 -20.689 1.0 63.31 ? 73 A 5 -ATOM 1117 H HD2 . HIS A1 1 73 ? -21.672 18.007 -22.709 1.0 71.43 ? 73 A 5 -ATOM 1118 H HE1 . HIS A1 1 73 ? -23.779 21.523 -21.616 1.0 3.34 ? 73 A 5 -ATOM 1119 N N . LEU A1 1 74 ? -20.305 16.196 -21.799 1.0 31.4 ? 74 A 5 -ATOM 1120 C CA . LEU A1 1 74 ? -20.427 15.207 -22.865 1.0 41.22 ? 74 A 5 -ATOM 1121 C C . LEU A1 1 74 ? -21.727 15.4 -23.639 1.0 21.0 ? 74 A 5 -ATOM 1122 O O . LEU A1 1 74 ? -22.818 15.251 -23.089 1.0 70.53 ? 74 A 5 -ATOM 1123 C CB . LEU A1 1 74 ? -20.371 13.793 -22.284 1.0 42.32 ? 74 A 5 -ATOM 1124 C CG . LEU A1 1 74 ? -20.856 12.671 -23.203 1.0 13.02 ? 74 A 5 -ATOM 1125 C CD1 . LEU A1 1 74 ? -19.964 12.563 -24.43 1.0 50.12 ? 74 A 5 -ATOM 1126 C CD2 . LEU A1 1 74 ? -20.896 11.347 -22.452 1.0 22.4 ? 74 A 5 -ATOM 1127 H H . LEU A1 1 74 ? -20.927 16.162 -21.043 1.0 53.04 ? 74 A 5 -ATOM 1128 H HA . LEU A1 1 74 ? -19.596 15.343 -23.54 1.0 65.43 ? 74 A 5 -ATOM 1129 H HB2 . LEU A1 1 74 ? -19.346 13.584 -22.02 1.0 22.02 ? 74 A 5 -ATOM 1130 H HB3 . LEU A1 1 74 ? -20.981 13.778 -21.392 1.0 20.31 ? 74 A 5 -ATOM 1131 H HG . LEU A1 1 74 ? -21.859 12.896 -23.539 1.0 34.12 ? 74 A 5 -ATOM 1132 H HD11 . LEU A1 1 74 ? -19.044 13.1 -24.254 1.0 33.01 ? 74 A 5 -ATOM 1133 H HD12 . LEU A1 1 74 ? -20.472 12.988 -25.283 1.0 1.34 ? 74 A 5 -ATOM 1134 H HD13 . LEU A1 1 74 ? -19.743 11.523 -24.624 1.0 63.14 ? 74 A 5 -ATOM 1135 H HD21 . LEU A1 1 74 ? -21.407 10.609 -23.052 1.0 12.32 ? 74 A 5 -ATOM 1136 H HD22 . LEU A1 1 74 ? -21.422 11.48 -21.518 1.0 54.43 ? 74 A 5 -ATOM 1137 H HD23 . LEU A1 1 74 ? -19.887 11.015 -22.254 1.0 14.02 ? 74 A 5 -ATOM 1138 N N . VAL A1 1 75 ? -21.603 15.73 -24.921 1.0 43.5 ? 75 A 5 -ATOM 1139 C CA . VAL A1 1 75 ? -22.768 15.939 -25.773 1.0 52.32 ? 75 A 5 -ATOM 1140 C C . VAL A1 1 75 ? -22.875 14.851 -26.835 1.0 61.15 ? 75 A 5 -ATOM 1141 O O . VAL A1 1 75 ? -21.869 14.414 -27.396 1.0 54.31 ? 75 A 5 -ATOM 1142 C CB . VAL A1 1 75 ? -22.717 17.314 -26.465 1.0 24.5 ? 75 A 5 -ATOM 1143 C CG1 . VAL A1 1 75 ? -23.954 17.527 -27.323 1.0 55.3 ? 75 A 5 -ATOM 1144 C CG2 . VAL A1 1 75 ? -22.576 18.424 -25.434 1.0 64.14 ? 75 A 5 -ATOM 1145 H H . VAL A1 1 75 ? -20.707 15.834 -25.303 1.0 70.11 ? 75 A 5 -ATOM 1146 H HA . VAL A1 1 75 ? -23.649 15.907 -25.148 1.0 60.52 ? 75 A 5 -ATOM 1147 H HB . VAL A1 1 75 ? -21.85 17.338 -27.109 1.0 44.41 ? 75 A 5 -ATOM 1148 H HG11 . VAL A1 1 75 ? -24.205 18.577 -27.339 1.0 31.54 ? 75 A 5 -ATOM 1149 H HG12 . VAL A1 1 75 ? -23.757 17.187 -28.33 1.0 61.34 ? 75 A 5 -ATOM 1150 H HG13 . VAL A1 1 75 ? -24.78 16.967 -26.909 1.0 54.52 ? 75 A 5 -ATOM 1151 H HG21 . VAL A1 1 75 ? -23.128 18.162 -24.544 1.0 5.24 ? 75 A 5 -ATOM 1152 H HG22 . VAL A1 1 75 ? -21.533 18.554 -25.186 1.0 61.35 ? 75 A 5 -ATOM 1153 H HG23 . VAL A1 1 75 ? -22.966 19.346 -25.841 1.0 24.43 ? 75 A 5 -ATOM 1154 N N . LEU A1 1 76 ? -24.1 14.418 -27.109 1.0 35.1 ? 76 A 5 -ATOM 1155 C CA . LEU A1 1 76 ? -24.34 13.38 -28.105 1.0 22.53 ? 76 A 5 -ATOM 1156 C C . LEU A1 1 76 ? -25.324 13.861 -29.167 1.0 2.14 ? 76 A 5 -ATOM 1157 O O . LEU A1 1 76 ? -26.317 14.518 -28.854 1.0 21.5 ? 76 A 5 -ATOM 1158 C CB . LEU A1 1 76 ? -24.875 12.114 -27.434 1.0 73.12 ? 76 A 5 -ATOM 1159 C CG . LEU A1 1 76 ? -24.98 12.156 -25.909 1.0 64.45 ? 76 A 5 -ATOM 1160 C CD1 . LEU A1 1 76 ? -25.829 11.002 -25.4 1.0 24.13 ? 76 A 5 -ATOM 1161 C CD2 . LEU A1 1 76 ? -23.595 12.121 -25.278 1.0 22.03 ? 76 A 5 -ATOM 1162 H H . LEU A1 1 76 ? -24.863 14.804 -26.63 1.0 44.32 ? 76 A 5 -ATOM 1163 H HA . LEU A1 1 76 ? -23.398 13.154 -28.582 1.0 53.04 ? 76 A 5 -ATOM 1164 H HB2 . LEU A1 1 76 ? -25.862 11.923 -27.828 1.0 71.31 ? 76 A 5 -ATOM 1165 H HB3 . LEU A1 1 76 ? -24.219 11.297 -27.699 1.0 62.14 ? 76 A 5 -ATOM 1166 H HG . LEU A1 1 76 ? -25.46 13.079 -25.613 1.0 42.11 ? 76 A 5 -ATOM 1167 H HD11 . LEU A1 1 76 ? -26.674 10.86 -26.056 1.0 12.14 ? 76 A 5 -ATOM 1168 H HD12 . LEU A1 1 76 ? -26.18 11.225 -24.404 1.0 23.21 ? 76 A 5 -ATOM 1169 H HD13 . LEU A1 1 76 ? -25.234 10.1 -25.378 1.0 40.2 ? 76 A 5 -ATOM 1170 H HD21 . LEU A1 1 76 ? -23.335 11.101 -25.039 1.0 53.24 ? 76 A 5 -ATOM 1171 H HD22 . LEU A1 1 76 ? -23.596 12.715 -24.376 1.0 72.02 ? 76 A 5 -ATOM 1172 H HD23 . LEU A1 1 76 ? -22.873 12.525 -25.973 1.0 63.4 ? 76 A 5 -ATOM 1173 N N . ARG A1 1 77 ? -25.043 13.528 -30.422 1.0 50.44 ? 77 A 5 -ATOM 1174 C CA . ARG A1 1 77 ? -25.904 13.926 -31.529 1.0 12.4 ? 77 A 5 -ATOM 1175 C C . ARG A1 1 77 ? -26.73 12.743 -32.027 1.0 10.32 ? 77 A 5 -ATOM 1176 O O . ARG A1 1 77 ? -26.808 12.489 -33.23 1.0 12.43 ? 77 A 5 -ATOM 1177 C CB . ARG A1 1 77 ? -25.066 14.495 -32.676 1.0 55.35 ? 77 A 5 -ATOM 1178 C CG . ARG A1 1 77 ? -24.128 15.612 -32.249 1.0 12.22 ? 77 A 5 -ATOM 1179 C CD . ARG A1 1 77 ? -22.671 15.196 -32.376 1.0 60.22 ? 77 A 5 -ATOM 1180 N NE . ARG A1 1 77 ? -21.817 16.311 -32.776 1.0 64.33 ? 77 A 5 -ATOM 1181 C CZ . ARG A1 1 77 ? -20.522 16.184 -33.048 1.0 13.31 ? 77 A 5 -ATOM 1182 N NH1 . ARG A1 1 77 ? -19.937 14.997 -32.963 1.0 63.3 ? 77 A 5 -ATOM 1183 N NH2 . ARG A1 1 77 ? -19.811 17.245 -33.406 1.0 70.54 ? 77 A 5 -ATOM 1184 H H . ARG A1 1 77 ? -24.236 13.003 -30.608 1.0 2.41 ? 77 A 5 -ATOM 1185 H HA . ARG A1 1 77 ? -26.574 14.692 -31.17 1.0 53.23 ? 77 A 5 -ATOM 1186 H HB2 . ARG A1 1 77 ? -24.472 13.7 -33.102 1.0 41.04 ? 77 A 5 -ATOM 1187 H HB3 . ARG A1 1 77 ? -25.73 14.882 -33.433 1.0 23.23 ? 77 A 5 -ATOM 1188 H HG2 . ARG A1 1 77 ? -24.301 16.474 -32.876 1.0 3.21 ? 77 A 5 -ATOM 1189 H HG3 . ARG A1 1 77 ? -24.333 15.867 -31.219 1.0 45.32 ? 77 A 5 -ATOM 1190 H HD2 . ARG A1 1 77 ? -22.333 14.821 -31.421 1.0 24.22 ? 77 A 5 -ATOM 1191 H HD3 . ARG A1 1 77 ? -22.598 14.414 -33.116 1.0 55.12 ? 77 A 5 -ATOM 1192 H HE . ARG A1 1 77 ? -22.229 17.197 -32.845 1.0 41.44 ? 77 A 5 -ATOM 1193 H HH11 . ARG A1 1 77 ? -20.471 14.196 -32.694 1.0 31.24 ? 77 A 5 -ATOM 1194 H HH12 . ARG A1 1 77 ? -18.963 14.904 -33.169 1.0 72.5 ? 77 A 5 -ATOM 1195 H HH21 . ARG A1 1 77 ? -20.249 18.141 -33.471 1.0 71.34 ? 77 A 5 -ATOM 1196 H HH22 . ARG A1 1 77 ? -18.838 17.149 -33.61 1.0 1.44 ? 77 A 5 -ATOM 1197 N N . LEU A1 1 78 ? -27.344 12.024 -31.095 1.0 31.03 ? 78 A 5 -ATOM 1198 C CA . LEU A1 1 78 ? -28.164 10.867 -31.438 1.0 51.32 ? 78 A 5 -ATOM 1199 C C . LEU A1 1 78 ? -29.309 11.267 -32.365 1.0 14.11 ? 78 A 5 -ATOM 1200 O O . LEU A1 1 78 ? -29.574 10.599 -33.364 1.0 12.31 ? 78 A 5 -ATOM 1201 C CB . LEU A1 1 78 ? -28.722 10.218 -30.171 1.0 42.51 ? 78 A 5 -ATOM 1202 C CG . LEU A1 1 78 ? -28.046 8.92 -29.728 1.0 51.45 ? 78 A 5 -ATOM 1203 C CD1 . LEU A1 1 78 ? -26.909 9.214 -28.761 1.0 14.44 ? 78 A 5 -ATOM 1204 C CD2 . LEU A1 1 78 ? -29.06 7.981 -29.091 1.0 25.32 ? 78 A 5 -ATOM 1205 H H . LEU A1 1 78 ? -27.245 12.275 -30.154 1.0 75.31 ? 78 A 5 -ATOM 1206 H HA . LEU A1 1 78 ? -27.535 10.155 -31.951 1.0 64.2 ? 78 A 5 -ATOM 1207 H HB2 . LEU A1 1 78 ? -28.629 10.931 -29.366 1.0 61.14 ? 78 A 5 -ATOM 1208 H HB3 . LEU A1 1 78 ? -29.768 10.006 -30.341 1.0 62.32 ? 78 A 5 -ATOM 1209 H HG . LEU A1 1 78 ? -27.628 8.426 -30.594 1.0 53.42 ? 78 A 5 -ATOM 1210 H HD11 . LEU A1 1 78 ? -27.008 10.22 -28.384 1.0 3.24 ? 78 A 5 -ATOM 1211 H HD12 . LEU A1 1 78 ? -25.965 9.114 -29.276 1.0 74.14 ? 78 A 5 -ATOM 1212 H HD13 . LEU A1 1 78 ? -26.946 8.514 -27.939 1.0 11.41 ? 78 A 5 -ATOM 1213 H HD21 . LEU A1 1 78 ? -29.891 7.837 -29.766 1.0 65.32 ? 78 A 5 -ATOM 1214 H HD22 . LEU A1 1 78 ? -29.417 8.41 -28.166 1.0 65.43 ? 78 A 5 -ATOM 1215 H HD23 . LEU A1 1 78 ? -28.591 7.029 -28.888 1.0 34.04 ? 78 A 5 -ATOM 1216 N N . ARG A1 1 79 ? -29.982 12.362 -32.026 1.0 44.5 ? 79 A 5 -ATOM 1217 C CA . ARG A1 1 79 ? -31.097 12.851 -32.828 1.0 54.44 ? 79 A 5 -ATOM 1218 C C . ARG A1 1 79 ? -32.178 11.783 -32.965 1.0 43.43 ? 79 A 5 -ATOM 1219 O O . ARG A1 1 79 ? -32.755 11.604 -34.037 1.0 24.23 ? 79 A 5 -ATOM 1220 C CB . ARG A1 1 79 ? -30.608 13.278 -34.213 1.0 53.1 ? 79 A 5 -ATOM 1221 C CG . ARG A1 1 79 ? -31.356 14.473 -34.781 1.0 62.42 ? 79 A 5 -ATOM 1222 C CD . ARG A1 1 79 ? -30.408 15.611 -35.128 1.0 15.2 ? 79 A 5 -ATOM 1223 N NE . ARG A1 1 79 ? -29.783 15.423 -36.435 1.0 22.21 ? 79 A 5 -ATOM 1224 C CZ . ARG A1 1 79 ? -30.423 15.594 -37.586 1.0 43.33 ? 79 A 5 -ATOM 1225 N NH1 . ARG A1 1 79 ? -31.698 15.955 -37.593 1.0 51.34 ? 79 A 5 -ATOM 1226 N NH2 . ARG A1 1 79 ? -29.785 15.405 -38.735 1.0 24.34 ? 79 A 5 -ATOM 1227 H H . ARG A1 1 79 ? -29.723 12.852 -31.218 1.0 30.43 ? 79 A 5 -ATOM 1228 H HA . ARG A1 1 79 ? -31.517 13.709 -32.324 1.0 75.12 ? 79 A 5 -ATOM 1229 H HB2 . ARG A1 1 79 ? -29.561 13.535 -34.15 1.0 72.51 ? 79 A 5 -ATOM 1230 H HB3 . ARG A1 1 79 ? -30.727 12.45 -34.895 1.0 62.3 ? 79 A 5 -ATOM 1231 H HG2 . ARG A1 1 79 ? -31.876 14.168 -35.677 1.0 34.21 ? 79 A 5 -ATOM 1232 H HG3 . ARG A1 1 79 ? -32.069 14.821 -34.049 1.0 51.44 ? 79 A 5 -ATOM 1233 H HD2 . ARG A1 1 79 ? -30.965 16.536 -35.135 1.0 21.42 ? 79 A 5 -ATOM 1234 H HD3 . ARG A1 1 79 ? -29.637 15.661 -34.374 1.0 24.22 ? 79 A 5 -ATOM 1235 H HE . ARG A1 1 79 ? -28.841 15.157 -36.453 1.0 63.2 ? 79 A 5 -ATOM 1236 H HH11 . ARG A1 1 79 ? -32.181 16.1 -36.729 1.0 0.03 ? 79 A 5 -ATOM 1237 H HH12 . ARG A1 1 79 ? -32.177 16.085 -38.462 1.0 54.33 ? 79 A 5 -ATOM 1238 H HH21 . ARG A1 1 79 ? -28.824 15.133 -38.734 1.0 72.3 ? 79 A 5 -ATOM 1239 H HH22 . ARG A1 1 79 ? -30.267 15.534 -39.601 1.0 2.44 ? 79 A 5 -ATOM 1240 N N . GLY A1 1 80 ? -32.446 11.075 -31.872 1.0 11.03 ? 80 A 5 -ATOM 1241 C CA . GLY A1 1 80 ? -33.456 10.033 -31.892 1.0 3.12 ? 80 A 5 -ATOM 1242 C C . GLY A1 1 80 ? -32.976 8.774 -32.586 1.0 52.34 ? 80 A 5 -ATOM 1243 O O . GLY A1 1 80 ? -33.115 8.636 -33.801 1.0 43.44 ? 80 A 5 -ATOM 1244 H H . GLY A1 1 80 ? -31.954 11.262 -31.045 1.0 0.24 ? 80 A 5 -ATOM 1245 H HA2 . GLY A1 1 80 ? -33.727 9.791 -30.875 1.0 71.24 ? 80 A 5 -ATOM 1246 H HA3 . GLY A1 1 80 ? -34.329 10.405 -32.408 1.0 43.14 ? 80 A 5 -ATOM 1247 N N . GLY A1 1 81 ? -32.409 7.853 -31.813 1.0 43.34 ? 81 A 5 -ATOM 1248 C CA . GLY A1 1 81 ? -31.914 6.612 -32.38 1.0 20.2 ? 81 A 5 -ATOM 1249 C C . GLY A1 1 81 ? -32.036 5.447 -31.418 1.0 63.23 ? 81 A 5 -ATOM 1250 O O . GLY A1 1 81 ? -33.104 5.204 -30.856 1.0 30.24 ? 81 A 5 -ATOM 1251 H H . GLY A1 1 81 ? -32.325 8.018 -30.851 1.0 11.33 ? 81 A 5 -ATOM 1252 H HA2 . GLY A1 1 81 ? -32.476 6.387 -33.274 1.0 30.51 ? 81 A 5 -ATOM 1253 H HA3 . GLY A1 1 81 ? -30.874 6.739 -32.643 1.0 55.14 ? 81 A 5 -ATOM 1254 N N . VAL A1 1 82 ? -30.938 4.722 -31.227 1.0 30.52 ? 82 A 5 -ATOM 1255 C CA . VAL A1 1 82 ? -30.926 3.575 -30.327 1.0 4.45 ? 82 A 5 -ATOM 1256 C C . VAL A1 1 82 ? -31.164 4.006 -28.884 1.0 63.52 ? 82 A 5 -ATOM 1257 O O . VAL A1 1 82 ? -31.004 5.177 -28.541 1.0 12.52 ? 82 A 5 -ATOM 1258 C CB . VAL A1 1 82 ? -29.592 2.81 -30.409 1.0 53.54 ? 82 A 5 -ATOM 1259 C CG1 . VAL A1 1 82 ? -29.59 1.633 -29.447 1.0 33.31 ? 82 A 5 -ATOM 1260 C CG2 . VAL A1 1 82 ? -29.331 2.345 -31.834 1.0 1.13 ? 82 A 5 -ATOM 1261 H H . VAL A1 1 82 ? -30.116 4.964 -31.703 1.0 42.11 ? 82 A 5 -ATOM 1262 H HA . VAL A1 1 82 ? -31.719 2.906 -30.628 1.0 65.12 ? 82 A 5 -ATOM 1263 H HB . VAL A1 1 82 ? -28.797 3.483 -30.122 1.0 3.02 ? 82 A 5 -ATOM 1264 H HG11 . VAL A1 1 82 ? -29.738 1.992 -28.439 1.0 71.54 ? 82 A 5 -ATOM 1265 H HG12 . VAL A1 1 82 ? -30.387 0.952 -29.708 1.0 43.52 ? 82 A 5 -ATOM 1266 H HG13 . VAL A1 1 82 ? -28.642 1.118 -29.509 1.0 60.31 ? 82 A 5 -ATOM 1267 H HG21 . VAL A1 1 82 ? -28.881 3.148 -32.399 1.0 51.1 ? 82 A 5 -ATOM 1268 H HG22 . VAL A1 1 82 ? -28.664 1.496 -31.819 1.0 43.42 ? 82 A 5 -ATOM 1269 H HG23 . VAL A1 1 82 ? -30.266 2.06 -32.296 1.0 61.21 ? 82 A 5 -ATOM 1 N N . GLY A1 1 1 ? -15.425 -4.098 -5.149 1.0 13.0 ? 1 A 6 -ATOM 2 C CA . GLY A1 1 1 ? -14.182 -3.541 -4.647 1.0 45.03 ? 1 A 6 -ATOM 3 C C . GLY A1 1 1 ? -13.391 -2.824 -5.723 1.0 65.21 ? 1 A 6 -ATOM 4 O O . GLY A1 1 1 ? -12.316 -3.264 -6.131 1.0 33.34 ? 1 A 6 -ATOM 5 H H1 . GLY A1 1 1 ? -15.746 -3.849 -6.041 1.0 52.4 ? 1 A 6 -ATOM 6 H HA2 . GLY A1 1 1 ? -14.407 -2.843 -3.855 1.0 14.15 ? 1 A 6 -ATOM 7 H HA3 . GLY A1 1 1 ? -13.578 -4.342 -4.247 1.0 34.23 ? 1 A 6 -ATOM 8 N N . PRO A1 1 2 ? -13.928 -1.692 -6.202 1.0 55.32 ? 2 A 6 -ATOM 9 C CA . PRO A1 1 2 ? -13.283 -0.889 -7.245 1.0 21.43 ? 2 A 6 -ATOM 10 C C . PRO A1 1 2 ? -12.022 -0.194 -6.744 1.0 41.45 ? 2 A 6 -ATOM 11 O O . PRO A1 1 2 ? -11.953 0.236 -5.591 1.0 62.42 ? 2 A 6 -ATOM 12 C CB . PRO A1 1 2 ? -14.353 0.143 -7.611 1.0 51.45 ? 2 A 6 -ATOM 13 C CG . PRO A1 1 2 ? -15.202 0.257 -6.392 1.0 43.11 ? 2 A 6 -ATOM 14 C CD . PRO A1 1 2 ? -15.207 -1.109 -5.762 1.0 64.14 ? 2 A 6 -ATOM 15 H HA . PRO A1 1 2 ? -13.043 -1.485 -8.113 1.0 31.54 ? 2 A 6 -ATOM 16 H HB2 . PRO A1 1 2 ? -13.88 1.085 -7.853 1.0 42.4 ? 2 A 6 -ATOM 17 H HB3 . PRO A1 1 2 ? -14.923 -0.208 -8.457 1.0 62.54 ? 2 A 6 -ATOM 18 H HG2 . PRO A1 1 2 ? -14.777 0.981 -5.714 1.0 3.22 ? 2 A 6 -ATOM 19 H HG3 . PRO A1 1 2 ? -16.205 0.545 -6.67 1.0 51.14 ? 2 A 6 -ATOM 20 H HD2 . PRO A1 1 2 ? -15.244 -1.028 -4.686 1.0 11.0 ? 2 A 6 -ATOM 21 H HD3 . PRO A1 1 2 ? -16.041 -1.69 -6.127 1.0 24.12 ? 2 A 6 -ATOM 22 N N . LEU A1 1 3 ? -11.025 -0.086 -7.616 1.0 34.12 ? 3 A 6 -ATOM 23 C CA . LEU A1 1 3 ? -9.765 0.558 -7.262 1.0 54.03 ? 3 A 6 -ATOM 24 C C . LEU A1 1 3 ? -8.955 0.892 -8.51 1.0 63.21 ? 3 A 6 -ATOM 25 O O . LEU A1 1 3 ? -9.145 0.29 -9.565 1.0 11.24 ? 3 A 6 -ATOM 26 C CB . LEU A1 1 3 ? -8.949 -0.347 -6.337 1.0 60.12 ? 3 A 6 -ATOM 27 C CG . LEU A1 1 3 ? -8.726 0.171 -4.916 1.0 64.13 ? 3 A 6 -ATOM 28 C CD1 . LEU A1 1 3 ? -8.564 -0.988 -3.945 1.0 62.25 ? 3 A 6 -ATOM 29 C CD2 . LEU A1 1 3 ? -7.51 1.085 -4.866 1.0 0.12 ? 3 A 6 -ATOM 30 H H . LEU A1 1 3 ? -11.139 -0.447 -8.519 1.0 52.35 ? 3 A 6 -ATOM 31 H HA . LEU A1 1 3 ? -9.997 1.475 -6.741 1.0 43.13 ? 3 A 6 -ATOM 32 H HB2 . LEU A1 1 3 ? -9.46 -1.295 -6.267 1.0 74.24 ? 3 A 6 -ATOM 33 H HB3 . LEU A1 1 3 ? -7.98 -0.496 -6.793 1.0 72.41 ? 3 A 6 -ATOM 34 H HG . LEU A1 1 3 ? -9.589 0.745 -4.609 1.0 43.5 ? 3 A 6 -ATOM 35 H HD11 . LEU A1 1 3 ? -8.47 -1.911 -4.497 1.0 50.45 ? 3 A 6 -ATOM 36 H HD12 . LEU A1 1 3 ? -9.429 -1.041 -3.3 1.0 4.34 ? 3 A 6 -ATOM 37 H HD13 . LEU A1 1 3 ? -7.678 -0.835 -3.346 1.0 54.42 ? 3 A 6 -ATOM 38 H HD21 . LEU A1 1 3 ? -6.613 0.498 -5.0 1.0 23.33 ? 3 A 6 -ATOM 39 H HD22 . LEU A1 1 3 ? -7.475 1.584 -3.91 1.0 1.01 ? 3 A 6 -ATOM 40 H HD23 . LEU A1 1 3 ? -7.58 1.82 -5.654 1.0 75.24 ? 3 A 6 -ATOM 41 N N . GLY A1 1 4 ? -8.048 1.857 -8.38 1.0 4.21 ? 4 A 6 -ATOM 42 C CA . GLY A1 1 4 ? -7.221 2.253 -9.505 1.0 43.34 ? 4 A 6 -ATOM 43 C C . GLY A1 1 4 ? -6.41 3.501 -9.217 1.0 32.24 ? 4 A 6 -ATOM 44 O O . GLY A1 1 4 ? -6.069 3.776 -8.066 1.0 73.31 ? 4 A 6 -ATOM 45 H H . GLY A1 1 4 ? -7.941 2.303 -7.514 1.0 2.13 ? 4 A 6 -ATOM 46 H HA2 . GLY A1 1 4 ? -6.546 1.445 -9.744 1.0 53.5 ? 4 A 6 -ATOM 47 H HA3 . GLY A1 1 4 ? -7.858 2.441 -10.357 1.0 61.41 ? 4 A 6 -ATOM 48 N N . SER A1 1 5 ? -6.098 4.257 -10.264 1.0 14.33 ? 5 A 6 -ATOM 49 C CA . SER A1 1 5 ? -5.317 5.48 -10.119 1.0 12.42 ? 5 A 6 -ATOM 50 C C . SER A1 1 5 ? -6.214 6.656 -9.744 1.0 43.22 ? 5 A 6 -ATOM 51 O O . SER A1 1 5 ? -6.229 7.097 -8.595 1.0 33.52 ? 5 A 6 -ATOM 52 C CB . SER A1 1 5 ? -4.568 5.789 -11.417 1.0 72.02 ? 5 A 6 -ATOM 53 O OG . SER A1 1 5 ? -3.836 6.998 -11.308 1.0 21.35 ? 5 A 6 -ATOM 54 H H . SER A1 1 5 ? -6.399 3.985 -11.157 1.0 31.12 ? 5 A 6 -ATOM 55 H HA . SER A1 1 5 ? -4.6 5.323 -9.328 1.0 12.32 ? 5 A 6 -ATOM 56 H HB2 . SER A1 1 5 ? -3.881 4.985 -11.633 1.0 41.01 ? 5 A 6 -ATOM 57 H HB3 . SER A1 1 5 ? -5.278 5.883 -12.225 1.0 74.13 ? 5 A 6 -ATOM 58 H HG . SER A1 1 5 ? -2.897 6.81 -11.368 1.0 33.45 ? 5 A 6 -ATOM 59 N N . MET A1 1 6 ? -6.96 7.159 -10.722 1.0 14.01 ? 6 A 6 -ATOM 60 C CA . MET A1 1 6 ? -7.861 8.283 -10.495 1.0 54.33 ? 6 A 6 -ATOM 61 C C . MET A1 1 6 ? -9.212 8.04 -11.16 1.0 31.44 ? 6 A 6 -ATOM 62 O O . MET A1 1 6 ? -9.43 6.998 -11.778 1.0 1.11 ? 6 A 6 -ATOM 63 C CB . MET A1 1 6 ? -7.242 9.576 -11.03 1.0 70.21 ? 6 A 6 -ATOM 64 C CG . MET A1 1 6 ? -7.021 9.567 -12.534 1.0 25.05 ? 6 A 6 -ATOM 65 S SD . MET A1 1 6 ? -5.275 9.506 -12.979 1.0 3.44 ? 6 A 6 -ATOM 66 C CE . MET A1 1 6 ? -4.662 10.969 -12.148 1.0 13.21 ? 6 A 6 -ATOM 67 H H . MET A1 1 6 ? -6.905 6.764 -11.618 1.0 2.32 ? 6 A 6 -ATOM 68 H HA . MET A1 1 6 ? -8.008 8.379 -9.43 1.0 5.22 ? 6 A 6 -ATOM 69 H HB2 . MET A1 1 6 ? -7.895 10.401 -10.788 1.0 62.43 ? 6 A 6 -ATOM 70 H HB3 . MET A1 1 6 ? -6.287 9.73 -10.549 1.0 63.34 ? 6 A 6 -ATOM 71 H HG2 . MET A1 1 6 ? -7.514 8.703 -12.952 1.0 33.13 ? 6 A 6 -ATOM 72 H HG3 . MET A1 1 6 ? -7.454 10.464 -12.952 1.0 12.41 ? 6 A 6 -ATOM 73 H HE1 . MET A1 1 6 ? -5.496 11.564 -11.804 1.0 12.23 ? 6 A 6 -ATOM 74 H HE2 . MET A1 1 6 ? -4.056 10.677 -11.303 1.0 52.54 ? 6 A 6 -ATOM 75 H HE3 . MET A1 1 6 ? -4.065 11.55 -12.836 1.0 2.41 ? 6 A 6 -ATOM 76 N N . GLN A1 1 7 ? -10.114 9.006 -11.027 1.0 13.12 ? 7 A 6 -ATOM 77 C CA . GLN A1 1 7 ? -11.444 8.895 -11.614 1.0 13.2 ? 7 A 6 -ATOM 78 C C . GLN A1 1 7 ? -11.877 10.219 -12.236 1.0 42.42 ? 7 A 6 -ATOM 79 O O . GLN A1 1 7 ? -11.384 11.283 -11.86 1.0 71.33 ? 7 A 6 -ATOM 80 C CB . GLN A1 1 7 ? -12.458 8.46 -10.555 1.0 42.01 ? 7 A 6 -ATOM 81 C CG . GLN A1 1 7 ? -11.949 7.355 -9.644 1.0 12.34 ? 7 A 6 -ATOM 82 C CD . GLN A1 1 7 ? -11.424 7.882 -8.323 1.0 44.31 ? 7 A 6 -ATOM 83 O OE1 . GLN A1 1 7 ? -11.306 9.092 -8.128 1.0 33.44 ? 7 A 6 -ATOM 84 N NE2 . GLN A1 1 7 ? -11.106 6.975 -7.407 1.0 73.32 ? 7 A 6 -ATOM 85 H H . GLN A1 1 7 ? -9.88 9.812 -10.522 1.0 71.21 ? 7 A 6 -ATOM 86 H HA . GLN A1 1 7 ? -11.403 8.145 -12.389 1.0 62.03 ? 7 A 6 -ATOM 87 H HB2 . GLN A1 1 7 ? -12.711 9.314 -9.943 1.0 13.25 ? 7 A 6 -ATOM 88 H HB3 . GLN A1 1 7 ? -13.35 8.106 -11.051 1.0 41.42 ? 7 A 6 -ATOM 89 H HG2 . GLN A1 1 7 ? -12.76 6.67 -9.443 1.0 43.33 ? 7 A 6 -ATOM 90 H HG3 . GLN A1 1 7 ? -11.152 6.829 -10.148 1.0 33.21 ? 7 A 6 -ATOM 91 H HE21 . GLN A1 1 7 ? -11.225 6.028 -7.633 1.0 52.01 ? 7 A 6 -ATOM 92 H HE22 . GLN A1 1 7 ? -10.763 7.288 -6.545 1.0 55.43 ? 7 A 6 -ATOM 93 N N . ILE A1 1 8 ? -12.8 10.146 -13.189 1.0 12.12 ? 8 A 6 -ATOM 94 C CA . ILE A1 1 8 ? -13.299 11.338 -13.862 1.0 64.2 ? 8 A 6 -ATOM 95 C C . ILE A1 1 8 ? -14.823 11.38 -13.848 1.0 0.33 ? 8 A 6 -ATOM 96 O O . ILE A1 1 8 ? -15.481 10.36 -13.644 1.0 11.35 ? 8 A 6 -ATOM 97 C CB . ILE A1 1 8 ? -12.809 11.409 -15.32 1.0 65.34 ? 8 A 6 -ATOM 98 C CG1 . ILE A1 1 8 ? -11.931 10.198 -15.645 1.0 72.33 ? 8 A 6 -ATOM 99 C CG2 . ILE A1 1 8 ? -12.045 12.703 -15.56 1.0 55.24 ? 8 A 6 -ATOM 100 C CD1 . ILE A1 1 8 ? -11.571 10.089 -17.11 1.0 11.02 ? 8 A 6 -ATOM 101 H H . ILE A1 1 8 ? -13.154 9.269 -13.445 1.0 43.45 ? 8 A 6 -ATOM 102 H HA . ILE A1 1 8 ? -12.921 12.202 -13.334 1.0 41.41 ? 8 A 6 -ATOM 103 H HB . ILE A1 1 8 ? -13.672 11.403 -15.968 1.0 13.24 ? 8 A 6 -ATOM 104 H HG12 . ILE A1 1 8 ? -11.013 10.266 -15.083 1.0 4.11 ? 8 A 6 -ATOM 105 H HG13 . ILE A1 1 8 ? -12.456 9.297 -15.363 1.0 33.41 ? 8 A 6 -ATOM 106 H HG21 . ILE A1 1 8 ? -11.36 12.569 -16.384 1.0 12.11 ? 8 A 6 -ATOM 107 H HG22 . ILE A1 1 8 ? -12.742 13.492 -15.798 1.0 14.43 ? 8 A 6 -ATOM 108 H HG23 . ILE A1 1 8 ? -11.493 12.966 -14.671 1.0 53.13 ? 8 A 6 -ATOM 109 H HD11 . ILE A1 1 8 ? -12.167 9.313 -17.57 1.0 4.51 ? 8 A 6 -ATOM 110 H HD12 . ILE A1 1 8 ? -11.767 11.031 -17.601 1.0 22.53 ? 8 A 6 -ATOM 111 H HD13 . ILE A1 1 8 ? -10.524 9.843 -17.207 1.0 32.23 ? 8 A 6 -ATOM 112 N N . PHE A1 1 9 ? -15.379 12.568 -14.067 1.0 44.42 ? 9 A 6 -ATOM 113 C CA . PHE A1 1 9 ? -16.827 12.743 -14.08 1.0 45.42 ? 9 A 6 -ATOM 114 C C . PHE A1 1 9 ? -17.308 13.191 -15.457 1.0 62.05 ? 9 A 6 -ATOM 115 O O . PHE A1 1 9 ? -16.828 14.185 -16.002 1.0 33.13 ? 9 A 6 -ATOM 116 C CB . PHE A1 1 9 ? -17.247 13.767 -13.023 1.0 42.3 ? 9 A 6 -ATOM 117 C CG . PHE A1 1 9 ? -18.03 13.17 -11.889 1.0 44.44 ? 9 A 6 -ATOM 118 C CD1 . PHE A1 1 9 ? -19.284 12.622 -12.108 1.0 24.21 ? 9 A 6 -ATOM 119 C CD2 . PHE A1 1 9 ? -17.513 13.158 -10.604 1.0 24.11 ? 9 A 6 -ATOM 120 C CE1 . PHE A1 1 9 ? -20.007 12.072 -11.066 1.0 54.33 ? 9 A 6 -ATOM 121 C CE2 . PHE A1 1 9 ? -18.231 12.609 -9.558 1.0 62.43 ? 9 A 6 -ATOM 122 C CZ . PHE A1 1 9 ? -19.48 12.066 -9.79 1.0 72.21 ? 9 A 6 -ATOM 123 H H . PHE A1 1 9 ? -14.801 13.344 -14.223 1.0 15.35 ? 9 A 6 -ATOM 124 H HA . PHE A1 1 9 ? -17.277 11.791 -13.846 1.0 72.15 ? 9 A 6 -ATOM 125 H HB2 . PHE A1 1 9 ? -16.364 14.229 -12.609 1.0 13.22 ? 9 A 6 -ATOM 126 H HB3 . PHE A1 1 9 ? -17.86 14.524 -13.49 1.0 20.44 ? 9 A 6 -ATOM 127 H HD1 . PHE A1 1 9 ? -19.697 12.627 -13.107 1.0 63.23 ? 9 A 6 -ATOM 128 H HD2 . PHE A1 1 9 ? -16.537 13.582 -10.421 1.0 43.5 ? 9 A 6 -ATOM 129 H HE1 . PHE A1 1 9 ? -20.983 11.649 -11.251 1.0 53.21 ? 9 A 6 -ATOM 130 H HE2 . PHE A1 1 9 ? -17.817 12.606 -8.561 1.0 61.25 ? 9 A 6 -ATOM 131 H HZ . PHE A1 1 9 ? -20.043 11.637 -8.975 1.0 11.33 ? 9 A 6 -ATOM 132 N N . VAL A1 1 10 ? -18.259 12.448 -16.015 1.0 35.51 ? 10 A 6 -ATOM 133 C CA . VAL A1 1 10 ? -18.806 12.767 -17.328 1.0 51.35 ? 10 A 6 -ATOM 134 C C . VAL A1 1 10 ? -20.284 13.131 -17.234 1.0 20.3 ? 10 A 6 -ATOM 135 O O . VAL A1 1 10 ? -21.073 12.413 -16.62 1.0 33.54 ? 10 A 6 -ATOM 136 C CB . VAL A1 1 10 ? -18.639 11.59 -18.307 1.0 1.24 ? 10 A 6 -ATOM 137 C CG1 . VAL A1 1 10 ? -18.209 12.091 -19.677 1.0 43.55 ? 10 A 6 -ATOM 138 C CG2 . VAL A1 1 10 ? -17.64 10.582 -17.761 1.0 70.41 ? 10 A 6 -ATOM 139 H H . VAL A1 1 10 ? -18.601 11.668 -15.531 1.0 13.11 ? 10 A 6 -ATOM 140 H HA . VAL A1 1 10 ? -18.261 13.614 -17.72 1.0 52.2 ? 10 A 6 -ATOM 141 H HB . VAL A1 1 10 ? -19.595 11.097 -18.412 1.0 21.21 ? 10 A 6 -ATOM 142 H HG11 . VAL A1 1 10 ? -18.576 13.097 -19.823 1.0 75.22 ? 10 A 6 -ATOM 143 H HG12 . VAL A1 1 10 ? -17.131 12.086 -19.741 1.0 54.41 ? 10 A 6 -ATOM 144 H HG13 . VAL A1 1 10 ? -18.618 11.446 -20.441 1.0 61.31 ? 10 A 6 -ATOM 145 H HG21 . VAL A1 1 10 ? -17.358 9.893 -18.544 1.0 13.24 ? 10 A 6 -ATOM 146 H HG22 . VAL A1 1 10 ? -16.763 11.102 -17.406 1.0 62.44 ? 10 A 6 -ATOM 147 H HG23 . VAL A1 1 10 ? -18.089 10.034 -16.945 1.0 2.35 ? 10 A 6 -ATOM 148 N N . LYS A1 1 11 ? -20.652 14.25 -17.848 1.0 23.3 ? 11 A 6 -ATOM 149 C CA . LYS A1 1 11 ? -22.036 14.709 -17.836 1.0 10.31 ? 11 A 6 -ATOM 150 C C . LYS A1 1 11 ? -22.688 14.507 -19.2 1.0 22.12 ? 11 A 6 -ATOM 151 O O . LYS A1 1 11 ? -22.288 15.123 -20.189 1.0 63.21 ? 11 A 6 -ATOM 152 C CB . LYS A1 1 11 ? -22.101 16.187 -17.442 1.0 34.41 ? 11 A 6 -ATOM 153 C CG . LYS A1 1 11 ? -23.453 16.827 -17.704 1.0 63.11 ? 11 A 6 -ATOM 154 C CD . LYS A1 1 11 ? -23.446 18.306 -17.356 1.0 3.15 ? 11 A 6 -ATOM 155 C CE . LYS A1 1 11 ? -23.128 19.163 -18.572 1.0 2.52 ? 11 A 6 -ATOM 156 N NZ . LYS A1 1 11 ? -23.198 20.618 -18.259 1.0 51.12 ? 11 A 6 -ATOM 157 H H . LYS A1 1 11 ? -19.977 14.78 -18.322 1.0 4.15 ? 11 A 6 -ATOM 158 H HA . LYS A1 1 11 ? -22.573 14.126 -17.104 1.0 44.21 ? 11 A 6 -ATOM 159 H HB2 . LYS A1 1 11 ? -21.882 16.276 -16.388 1.0 75.01 ? 11 A 6 -ATOM 160 H HB3 . LYS A1 1 11 ? -21.354 16.73 -18.003 1.0 15.43 ? 11 A 6 -ATOM 161 H HG2 . LYS A1 1 11 ? -23.698 16.716 -18.75 1.0 73.24 ? 11 A 6 -ATOM 162 H HG3 . LYS A1 1 11 ? -24.2 16.329 -17.103 1.0 30.03 ? 11 A 6 -ATOM 163 H HD2 . LYS A1 1 11 ? -24.42 18.584 -16.98 1.0 63.51 ? 11 A 6 -ATOM 164 H HD3 . LYS A1 1 11 ? -22.7 18.485 -16.595 1.0 61.22 ? 11 A 6 -ATOM 165 H HE2 . LYS A1 1 11 ? -22.132 18.925 -18.913 1.0 70.24 ? 11 A 6 -ATOM 166 H HE3 . LYS A1 1 11 ? -23.84 18.937 -19.352 1.0 3.13 ? 11 A 6 -ATOM 167 H HZ1 . LYS A1 1 11 ? -22.532 21.145 -18.859 1.0 1.34 ? 11 A 6 -ATOM 168 H HZ2 . LYS A1 1 11 ? -22.954 20.78 -17.261 1.0 61.44 ? 11 A 6 -ATOM 169 H HZ3 . LYS A1 1 11 ? -24.16 20.974 -18.431 1.0 12.11 ? 11 A 6 -ATOM 170 N N . THR A1 1 12 ? -23.696 13.641 -19.247 1.0 60.33 ? 12 A 6 -ATOM 171 C CA . THR A1 1 12 ? -24.403 13.358 -20.49 1.0 63.11 ? 12 A 6 -ATOM 172 C C . THR A1 1 12 ? -25.329 14.508 -20.869 1.0 63.2 ? 12 A 6 -ATOM 173 O O . THR A1 1 12 ? -25.701 15.324 -20.024 1.0 23.14 ? 12 A 6 -ATOM 174 C CB . THR A1 1 12 ? -25.229 12.063 -20.384 1.0 13.53 ? 12 A 6 -ATOM 175 O OG1 . THR A1 1 12 ? -26.206 12.188 -19.344 1.0 44.22 ? 12 A 6 -ATOM 176 C CG2 . THR A1 1 12 ? -24.33 10.869 -20.1 1.0 44.25 ? 12 A 6 -ATOM 177 H H . THR A1 1 12 ? -23.968 13.182 -18.426 1.0 50.31 ? 12 A 6 -ATOM 178 H HA . THR A1 1 12 ? -23.668 13.229 -21.27 1.0 15.31 ? 12 A 6 -ATOM 179 H HB . THR A1 1 12 ? -25.735 11.898 -21.324 1.0 3.11 ? 12 A 6 -ATOM 180 H HG1 . THR A1 1 12 ? -26.94 11.595 -19.521 1.0 54.01 ? 12 A 6 -ATOM 181 H HG21 . THR A1 1 12 ? -23.709 10.674 -20.961 1.0 54.24 ? 12 A 6 -ATOM 182 H HG22 . THR A1 1 12 ? -24.938 10.002 -19.89 1.0 51.32 ? 12 A 6 -ATOM 183 H HG23 . THR A1 1 12 ? -23.704 11.085 -19.247 1.0 74.05 ? 12 A 6 -ATOM 184 N N . LEU A1 1 13 ? -25.699 14.568 -22.143 1.0 74.21 ? 13 A 6 -ATOM 185 C CA . LEU A1 1 13 ? -26.584 15.619 -22.635 1.0 74.52 ? 13 A 6 -ATOM 186 C C . LEU A1 1 13 ? -27.919 15.596 -21.897 1.0 25.21 ? 13 A 6 -ATOM 187 O O . LEU A1 1 13 ? -28.662 16.578 -21.904 1.0 11.35 ? 13 A 6 -ATOM 188 C CB . LEU A1 1 13 ? -26.817 15.455 -24.138 1.0 31.51 ? 13 A 6 -ATOM 189 C CG . LEU A1 1 13 ? -27.528 16.614 -24.837 1.0 30.32 ? 13 A 6 -ATOM 190 C CD1 . LEU A1 1 13 ? -26.517 17.625 -25.357 1.0 44.31 ? 13 A 6 -ATOM 191 C CD2 . LEU A1 1 13 ? -28.4 16.098 -25.972 1.0 64.01 ? 13 A 6 -ATOM 192 H H . LEU A1 1 13 ? -25.371 13.89 -22.769 1.0 42.02 ? 13 A 6 -ATOM 193 H HA . LEU A1 1 13 ? -26.103 16.568 -22.455 1.0 34.1 ? 13 A 6 -ATOM 194 H HB2 . LEU A1 1 13 ? -25.855 15.325 -24.609 1.0 62.11 ? 13 A 6 -ATOM 195 H HB3 . LEU A1 1 13 ? -27.411 14.564 -24.285 1.0 43.21 ? 13 A 6 -ATOM 196 H HG . LEU A1 1 13 ? -28.167 17.118 -24.125 1.0 45.4 ? 13 A 6 -ATOM 197 H HD11 . LEU A1 1 13 ? -27.032 18.401 -25.902 1.0 62.23 ? 13 A 6 -ATOM 198 H HD12 . LEU A1 1 13 ? -25.817 17.129 -26.012 1.0 23.44 ? 13 A 6 -ATOM 199 H HD13 . LEU A1 1 13 ? -25.984 18.061 -24.524 1.0 25.55 ? 13 A 6 -ATOM 200 H HD21 . LEU A1 1 13 ? -28.023 15.144 -26.311 1.0 62.14 ? 13 A 6 -ATOM 201 H HD22 . LEU A1 1 13 ? -28.381 16.803 -26.79 1.0 41.34 ? 13 A 6 -ATOM 202 H HD23 . LEU A1 1 13 ? -29.415 15.98 -25.621 1.0 51.42 ? 13 A 6 -ATOM 203 N N . THR A1 1 14 ? -28.217 14.469 -21.258 1.0 31.41 ? 14 A 6 -ATOM 204 C CA . THR A1 1 14 ? -29.461 14.319 -20.514 1.0 30.33 ? 14 A 6 -ATOM 205 C C . THR A1 1 14 ? -29.308 14.814 -19.081 1.0 22.13 ? 14 A 6 -ATOM 206 O O . THR A1 1 14 ? -30.233 14.713 -18.276 1.0 5.31 ? 14 A 6 -ATOM 207 C CB . THR A1 1 14 ? -29.928 12.851 -20.491 1.0 34.54 ? 14 A 6 -ATOM 208 O OG1 . THR A1 1 14 ? -29.043 12.068 -19.682 1.0 3.22 ? 14 A 6 -ATOM 209 C CG2 . THR A1 1 14 ? -29.978 12.277 -21.899 1.0 34.11 ? 14 A 6 -ATOM 210 H H . THR A1 1 14 ? -27.585 13.721 -21.29 1.0 2.31 ? 14 A 6 -ATOM 211 H HA . THR A1 1 14 ? -30.219 14.908 -21.009 1.0 25.44 ? 14 A 6 -ATOM 212 H HB . THR A1 1 14 ? -30.921 12.812 -20.066 1.0 55.24 ? 14 A 6 -ATOM 213 H HG1 . THR A1 1 14 ? -29.555 11.458 -19.145 1.0 24.42 ? 14 A 6 -ATOM 214 H HG21 . THR A1 1 14 ? -30.779 11.556 -21.965 1.0 1.02 ? 14 A 6 -ATOM 215 H HG22 . THR A1 1 14 ? -29.04 11.793 -22.124 1.0 12.23 ? 14 A 6 -ATOM 216 H HG23 . THR A1 1 14 ? -30.152 13.074 -22.606 1.0 12.42 ? 14 A 6 -ATOM 217 N N . GLY A1 1 15 ? -28.132 15.351 -18.767 1.0 61.2 ? 15 A 6 -ATOM 218 C CA . GLY A1 1 15 ? -27.88 15.854 -17.43 1.0 25.44 ? 15 A 6 -ATOM 219 C C . GLY A1 1 15 ? -27.64 14.743 -16.427 1.0 2.34 ? 15 A 6 -ATOM 220 O O . GLY A1 1 15 ? -28.293 14.684 -15.385 1.0 24.03 ? 15 A 6 -ATOM 221 H H . GLY A1 1 15 ? -27.431 15.405 -19.45 1.0 73.22 ? 15 A 6 -ATOM 222 H HA2 . GLY A1 1 15 ? -27.011 16.495 -17.456 1.0 10.15 ? 15 A 6 -ATOM 223 H HA3 . GLY A1 1 15 ? -28.733 16.434 -17.109 1.0 23.53 ? 15 A 6 -ATOM 224 N N . LYS A1 1 16 ? -26.701 13.857 -16.742 1.0 11.21 ? 16 A 6 -ATOM 225 C CA . LYS A1 1 16 ? -26.375 12.741 -15.862 1.0 34.13 ? 16 A 6 -ATOM 226 C C . LYS A1 1 16 ? -24.875 12.682 -15.591 1.0 15.24 ? 16 A 6 -ATOM 227 O O . LYS A1 1 16 ? -24.072 12.528 -16.513 1.0 50.04 ? 16 A 6 -ATOM 228 C CB . LYS A1 1 16 ? -26.845 11.423 -16.481 1.0 31.42 ? 16 A 6 -ATOM 229 C CG . LYS A1 1 16 ? -27.306 10.401 -15.457 1.0 73.35 ? 16 A 6 -ATOM 230 C CD . LYS A1 1 16 ? -26.154 9.533 -14.977 1.0 50.3 ? 16 A 6 -ATOM 231 C CE . LYS A1 1 16 ? -25.635 8.633 -16.088 1.0 52.44 ? 16 A 6 -ATOM 232 N NZ . LYS A1 1 16 ? -25.99 7.205 -15.856 1.0 2.53 ? 16 A 6 -ATOM 233 H H . LYS A1 1 16 ? -26.213 13.958 -17.587 1.0 52.54 ? 16 A 6 -ATOM 234 H HA . LYS A1 1 16 ? -26.891 12.895 -14.927 1.0 34.34 ? 16 A 6 -ATOM 235 H HB2 . LYS A1 1 16 ? -27.667 11.627 -17.151 1.0 44.24 ? 16 A 6 -ATOM 236 H HB3 . LYS A1 1 16 ? -26.03 10.994 -17.046 1.0 12.13 ? 16 A 6 -ATOM 237 H HG2 . LYS A1 1 16 ? -27.729 10.919 -14.609 1.0 3.41 ? 16 A 6 -ATOM 238 H HG3 . LYS A1 1 16 ? -28.058 9.768 -15.906 1.0 74.14 ? 16 A 6 -ATOM 239 H HD2 . LYS A1 1 16 ? -25.35 10.171 -14.641 1.0 63.23 ? 16 A 6 -ATOM 240 H HD3 . LYS A1 1 16 ? -26.496 8.918 -14.157 1.0 14.51 ? 16 A 6 -ATOM 241 H HE2 . LYS A1 1 16 ? -26.064 8.954 -17.024 1.0 44.12 ? 16 A 6 -ATOM 242 H HE3 . LYS A1 1 16 ? -24.56 8.725 -16.134 1.0 75.31 ? 16 A 6 -ATOM 243 H HZ1 . LYS A1 1 16 ? -25.285 6.757 -15.237 1.0 61.55 ? 16 A 6 -ATOM 244 H HZ2 . LYS A1 1 16 ? -26.017 6.693 -16.761 1.0 23.15 ? 16 A 6 -ATOM 245 H HZ3 . LYS A1 1 16 ? -26.925 7.138 -15.405 1.0 43.23 ? 16 A 6 -ATOM 246 N N . THR A1 1 17 ? -24.502 12.803 -14.321 1.0 33.03 ? 17 A 6 -ATOM 247 C CA . THR A1 1 17 ? -23.099 12.763 -13.929 1.0 61.21 ? 17 A 6 -ATOM 248 C C . THR A1 1 17 ? -22.665 11.343 -13.583 1.0 13.11 ? 17 A 6 -ATOM 249 O O . THR A1 1 17 ? -23.202 10.727 -12.662 1.0 32.24 ? 17 A 6 -ATOM 250 C CB . THR A1 1 17 ? -22.826 13.679 -12.722 1.0 22.54 ? 17 A 6 -ATOM 251 O OG1 . THR A1 1 17 ? -23.573 13.229 -11.586 1.0 24.32 ? 17 A 6 -ATOM 252 C CG2 . THR A1 1 17 ? -23.197 15.12 -13.041 1.0 72.42 ? 17 A 6 -ATOM 253 H H . THR A1 1 17 ? -25.188 12.924 -13.632 1.0 63.53 ? 17 A 6 -ATOM 254 H HA . THR A1 1 17 ? -22.509 13.116 -14.763 1.0 15.15 ? 17 A 6 -ATOM 255 H HB . THR A1 1 17 ? -21.771 13.638 -12.489 1.0 61.22 ? 17 A 6 -ATOM 256 H HG1 . THR A1 1 17 ? -22.975 12.844 -10.942 1.0 54.0 ? 17 A 6 -ATOM 257 H HG21 . THR A1 1 17 ? -22.789 15.772 -12.284 1.0 31.34 ? 17 A 6 -ATOM 258 H HG22 . THR A1 1 17 ? -24.272 15.219 -13.06 1.0 12.24 ? 17 A 6 -ATOM 259 H HG23 . THR A1 1 17 ? -22.793 15.39 -14.005 1.0 74.01 ? 17 A 6 -ATOM 260 N N . ILE A1 1 18 ? -21.691 10.829 -14.327 1.0 21.15 ? 18 A 6 -ATOM 261 C CA . ILE A1 1 18 ? -21.184 9.482 -14.096 1.0 42.23 ? 18 A 6 -ATOM 262 C C . ILE A1 1 18 ? -19.708 9.507 -13.717 1.0 2.02 ? 18 A 6 -ATOM 263 O O . ILE A1 1 18 ? -18.926 10.284 -14.267 1.0 34.24 ? 18 A 6 -ATOM 264 C CB . ILE A1 1 18 ? -21.368 8.591 -15.339 1.0 20.13 ? 18 A 6 -ATOM 265 C CG1 . ILE A1 1 18 ? -20.483 7.348 -15.238 1.0 0.43 ? 18 A 6 -ATOM 266 C CG2 . ILE A1 1 18 ? -21.048 9.374 -16.604 1.0 34.34 ? 18 A 6 -ATOM 267 C CD1 . ILE A1 1 18 ? -20.79 6.3 -16.285 1.0 41.12 ? 18 A 6 -ATOM 268 H H . ILE A1 1 18 ? -21.303 11.369 -15.046 1.0 72.35 ? 18 A 6 -ATOM 269 H HA . ILE A1 1 18 ? -21.747 9.049 -13.282 1.0 33.1 ? 18 A 6 -ATOM 270 H HB . ILE A1 1 18 ? -22.402 8.286 -15.386 1.0 55.23 ? 18 A 6 -ATOM 271 H HG12 . ILE A1 1 18 ? -19.45 7.638 -15.353 1.0 35.45 ? 18 A 6 -ATOM 272 H HG13 . ILE A1 1 18 ? -20.619 6.896 -14.266 1.0 15.51 ? 18 A 6 -ATOM 273 H HG21 . ILE A1 1 18 ? -20.029 9.728 -16.56 1.0 31.24 ? 18 A 6 -ATOM 274 H HG22 . ILE A1 1 18 ? -21.17 8.733 -17.464 1.0 60.32 ? 18 A 6 -ATOM 275 H HG23 . ILE A1 1 18 ? -21.718 10.217 -16.685 1.0 71.44 ? 18 A 6 -ATOM 276 H HD11 . ILE A1 1 18 ? -21.006 6.785 -17.226 1.0 32.31 ? 18 A 6 -ATOM 277 H HD12 . ILE A1 1 18 ? -19.937 5.649 -16.405 1.0 60.24 ? 18 A 6 -ATOM 278 H HD13 . ILE A1 1 18 ? -21.646 5.721 -15.975 1.0 25.35 ? 18 A 6 -ATOM 279 N N . THR A1 1 19 ? -19.33 8.65 -12.773 1.0 42.32 ? 19 A 6 -ATOM 280 C CA . THR A1 1 19 ? -17.947 8.573 -12.32 1.0 41.24 ? 19 A 6 -ATOM 281 C C . THR A1 1 19 ? -17.277 7.296 -12.813 1.0 70.21 ? 19 A 6 -ATOM 282 O O . THR A1 1 19 ? -17.873 6.219 -12.78 1.0 44.42 ? 19 A 6 -ATOM 283 C CB . THR A1 1 19 ? -17.856 8.626 -10.783 1.0 2.4 ? 19 A 6 -ATOM 284 O OG1 . THR A1 1 19 ? -19.144 8.909 -10.225 1.0 22.32 ? 19 A 6 -ATOM 285 C CG2 . THR A1 1 19 ? -16.86 9.686 -10.336 1.0 13.14 ? 19 A 6 -ATOM 286 H H . THR A1 1 19 ? -19.999 8.057 -12.372 1.0 1.15 ? 19 A 6 -ATOM 287 H HA . THR A1 1 19 ? -17.417 9.424 -12.721 1.0 65.43 ? 19 A 6 -ATOM 288 H HB . THR A1 1 19 ? -17.52 7.664 -10.424 1.0 44.24 ? 19 A 6 -ATOM 289 H HG1 . THR A1 1 19 ? -19.112 8.795 -9.272 1.0 60.25 ? 19 A 6 -ATOM 290 H HG21 . THR A1 1 19 ? -17.052 9.948 -9.307 1.0 73.33 ? 19 A 6 -ATOM 291 H HG22 . THR A1 1 19 ? -16.967 10.564 -10.956 1.0 23.45 ? 19 A 6 -ATOM 292 H HG23 . THR A1 1 19 ? -15.856 9.299 -10.429 1.0 51.03 ? 19 A 6 -ATOM 293 N N . ILE A1 1 20 ? -16.036 7.423 -13.27 1.0 2.13 ? 20 A 6 -ATOM 294 C CA . ILE A1 1 20 ? -15.285 6.277 -13.769 1.0 23.24 ? 20 A 6 -ATOM 295 C C . ILE A1 1 20 ? -13.812 6.378 -13.388 1.0 21.51 ? 20 A 6 -ATOM 296 O O . ILE A1 1 20 ? -13.183 7.42 -13.57 1.0 3.54 ? 20 A 6 -ATOM 297 C CB . ILE A1 1 20 ? -15.401 6.151 -15.299 1.0 55.55 ? 20 A 6 -ATOM 298 C CG1 . ILE A1 1 20 ? -15.464 7.538 -15.944 1.0 1.5 ? 20 A 6 -ATOM 299 C CG2 . ILE A1 1 20 ? -16.627 5.332 -15.672 1.0 1.32 ? 20 A 6 -ATOM 300 C CD1 . ILE A1 1 20 ? -14.829 7.596 -17.316 1.0 2.4 ? 20 A 6 -ATOM 301 H H . ILE A1 1 20 ? -15.615 8.307 -13.271 1.0 32.52 ? 20 A 6 -ATOM 302 H HA . ILE A1 1 20 ? -15.702 5.386 -13.322 1.0 40.32 ? 20 A 6 -ATOM 303 H HB . ILE A1 1 20 ? -14.527 5.632 -15.663 1.0 75.22 ? 20 A 6 -ATOM 304 H HG12 . ILE A1 1 20 ? -16.496 7.835 -16.044 1.0 4.24 ? 20 A 6 -ATOM 305 H HG13 . ILE A1 1 20 ? -14.95 8.245 -15.309 1.0 20.02 ? 20 A 6 -ATOM 306 H HG21 . ILE A1 1 20 ? -16.42 4.76 -16.565 1.0 41.11 ? 20 A 6 -ATOM 307 H HG22 . ILE A1 1 20 ? -16.87 4.659 -14.863 1.0 51.34 ? 20 A 6 -ATOM 308 H HG23 . ILE A1 1 20 ? -17.461 5.993 -15.854 1.0 74.34 ? 20 A 6 -ATOM 309 H HD11 . ILE A1 1 20 ? -15.142 6.738 -17.894 1.0 44.23 ? 20 A 6 -ATOM 310 H HD12 . ILE A1 1 20 ? -15.139 8.5 -17.819 1.0 43.31 ? 20 A 6 -ATOM 311 H HD13 . ILE A1 1 20 ? -13.754 7.589 -17.216 1.0 23.14 ? 20 A 6 -ATOM 312 N N . ASP A1 1 21 ? -13.267 5.287 -12.861 1.0 44.41 ? 21 A 6 -ATOM 313 C CA . ASP A1 1 21 ? -11.866 5.25 -12.458 1.0 13.43 ? 21 A 6 -ATOM 314 C C . ASP A1 1 21 ? -10.966 4.928 -13.647 1.0 74.52 ? 21 A 6 -ATOM 315 O O . ASP A1 1 21 ? -11.096 3.874 -14.269 1.0 3.25 ? 21 A 6 -ATOM 316 C CB . ASP A1 1 21 ? -11.659 4.216 -11.35 1.0 40.32 ? 21 A 6 -ATOM 317 C CG . ASP A1 1 21 ? -11.97 2.805 -11.81 1.0 70.32 ? 21 A 6 -ATOM 318 O OD1 . ASP A1 1 21 ? -13.142 2.537 -12.148 1.0 34.41 ? 21 A 6 -ATOM 319 O OD2 . ASP A1 1 21 ? -11.043 1.969 -11.831 1.0 4.34 ? 21 A 6 -ATOM 320 H H . ASP A1 1 21 ? -13.82 4.486 -12.742 1.0 61.24 ? 21 A 6 -ATOM 321 H HA . ASP A1 1 21 ? -11.605 6.227 -12.079 1.0 0.1 ? 21 A 6 -ATOM 322 H HB2 . ASP A1 1 21 ? -10.63 4.249 -11.023 1.0 73.15 ? 21 A 6 -ATOM 323 H HB3 . ASP A1 1 21 ? -12.305 4.455 -10.518 1.0 61.23 ? 21 A 6 -ATOM 324 N N . VAL A1 1 22 ? -10.054 5.843 -13.957 1.0 30.34 ? 22 A 6 -ATOM 325 C CA . VAL A1 1 22 ? -9.132 5.657 -15.071 1.0 1.34 ? 22 A 6 -ATOM 326 C C . VAL A1 1 22 ? -7.691 5.903 -14.639 1.0 61.2 ? 22 A 6 -ATOM 327 O O . VAL A1 1 22 ? -7.439 6.511 -13.599 1.0 34.03 ? 22 A 6 -ATOM 328 C CB . VAL A1 1 22 ? -9.472 6.595 -16.244 1.0 60.13 ? 22 A 6 -ATOM 329 C CG1 . VAL A1 1 22 ? -10.908 7.085 -16.138 1.0 14.0 ? 22 A 6 -ATOM 330 C CG2 . VAL A1 1 22 ? -8.503 7.767 -16.287 1.0 61.12 ? 22 A 6 -ATOM 331 H H . VAL A1 1 22 ? -9.999 6.664 -13.424 1.0 71.0 ? 22 A 6 -ATOM 332 H HA . VAL A1 1 22 ? -9.226 4.637 -15.415 1.0 41.13 ? 22 A 6 -ATOM 333 H HB . VAL A1 1 22 ? -9.373 6.039 -17.165 1.0 23.42 ? 22 A 6 -ATOM 334 H HG11 . VAL A1 1 22 ? -11.559 6.249 -15.925 1.0 3.13 ? 22 A 6 -ATOM 335 H HG12 . VAL A1 1 22 ? -10.983 7.812 -15.342 1.0 11.12 ? 22 A 6 -ATOM 336 H HG13 . VAL A1 1 22 ? -11.203 7.541 -17.071 1.0 2.3 ? 22 A 6 -ATOM 337 H HG21 . VAL A1 1 22 ? -7.535 7.422 -16.618 1.0 43.3 ? 22 A 6 -ATOM 338 H HG22 . VAL A1 1 22 ? -8.873 8.515 -16.972 1.0 71.52 ? 22 A 6 -ATOM 339 H HG23 . VAL A1 1 22 ? -8.413 8.197 -15.3 1.0 24.41 ? 22 A 6 -ATOM 340 N N . ASP A1 1 23 ? -6.748 5.426 -15.445 1.0 73.14 ? 23 A 6 -ATOM 341 C CA . ASP A1 1 23 ? -5.331 5.595 -15.147 1.0 0.33 ? 23 A 6 -ATOM 342 C C . ASP A1 1 23 ? -4.645 6.427 -16.226 1.0 62.12 ? 23 A 6 -ATOM 343 O O . ASP A1 1 23 ? -5.164 6.578 -17.332 1.0 35.34 ? 23 A 6 -ATOM 344 C CB . ASP A1 1 23 ? -4.647 4.232 -15.024 1.0 24.44 ? 23 A 6 -ATOM 345 C CG . ASP A1 1 23 ? -5.462 3.248 -14.209 1.0 11.25 ? 23 A 6 -ATOM 346 O OD1 . ASP A1 1 23 ? -6.436 2.687 -14.754 1.0 71.52 ? 23 A 6 -ATOM 347 O OD2 . ASP A1 1 23 ? -5.125 3.036 -13.025 1.0 54.12 ? 23 A 6 -ATOM 348 H H . ASP A1 1 23 ? -7.012 4.949 -16.26 1.0 71.31 ? 23 A 6 -ATOM 349 H HA . ASP A1 1 23 ? -5.25 6.114 -14.204 1.0 62.03 ? 23 A 6 -ATOM 350 H HB2 . ASP A1 1 23 ? -4.502 3.819 -16.012 1.0 75.32 ? 23 A 6 -ATOM 351 H HB3 . ASP A1 1 23 ? -3.687 4.36 -14.547 1.0 32.1 ? 23 A 6 -ATOM 352 N N . HIS A1 1 24 ? -3.475 6.965 -15.896 1.0 3.42 ? 24 A 6 -ATOM 353 C CA . HIS A1 1 24 ? -2.717 7.782 -16.837 1.0 64.1 ? 24 A 6 -ATOM 354 C C . HIS A1 1 24 ? -2.377 6.989 -18.095 1.0 13.22 ? 24 A 6 -ATOM 355 O O . HIS A1 1 24 ? -2.035 7.562 -19.129 1.0 40.32 ? 24 A 6 -ATOM 356 C CB . HIS A1 1 24 ? -1.434 8.296 -16.182 1.0 43.52 ? 24 A 6 -ATOM 357 C CG . HIS A1 1 24 ? -0.441 7.216 -15.883 1.0 63.23 ? 24 A 6 -ATOM 358 N ND1 . HIS A1 1 24 ? 0.411 6.692 -16.833 1.0 33.23 ? 24 A 6 -ATOM 359 C CD2 . HIS A1 1 24 ? -0.164 6.561 -14.731 1.0 70.35 ? 24 A 6 -ATOM 360 C CE1 . HIS A1 1 24 ? 1.166 5.761 -16.279 1.0 52.22 ? 24 A 6 -ATOM 361 N NE2 . HIS A1 1 24 ? 0.838 5.663 -15.003 1.0 51.1 ? 24 A 6 -ATOM 362 H H . HIS A1 1 24 ? -3.112 6.809 -15.0 1.0 35.01 ? 24 A 6 -ATOM 363 H HA . HIS A1 1 24 ? -3.332 8.625 -17.114 1.0 52.33 ? 24 A 6 -ATOM 364 H HB2 . HIS A1 1 24 ? -0.961 9.008 -16.842 1.0 74.33 ? 24 A 6 -ATOM 365 H HB3 . HIS A1 1 24 ? -1.684 8.785 -15.252 1.0 2.24 ? 24 A 6 -ATOM 366 H HD1 . HIS A1 1 24 ? 0.453 6.962 -17.774 1.0 61.24 ? 24 A 6 -ATOM 367 H HD2 . HIS A1 1 24 ? -0.643 6.716 -13.774 1.0 14.35 ? 24 A 6 -ATOM 368 H HE1 . HIS A1 1 24 ? 1.925 5.18 -16.782 1.0 73.24 ? 24 A 6 -ATOM 369 N N . ALA A1 1 25 ? -2.473 5.667 -17.999 1.0 63.43 ? 25 A 6 -ATOM 370 C CA . ALA A1 1 25 ? -2.177 4.795 -19.129 1.0 43.32 ? 25 A 6 -ATOM 371 C C . ALA A1 1 25 ? -3.424 4.546 -19.971 1.0 33.54 ? 25 A 6 -ATOM 372 O O . ALA A1 1 25 ? -3.405 3.739 -20.902 1.0 12.23 ? 25 A 6 -ATOM 373 C CB . ALA A1 1 25 ? -1.596 3.476 -18.64 1.0 51.34 ? 25 A 6 -ATOM 374 H H . ALA A1 1 25 ? -2.751 5.268 -17.148 1.0 55.41 ? 25 A 6 -ATOM 375 H HA . ALA A1 1 25 ? -1.433 5.283 -19.741 1.0 23.12 ? 25 A 6 -ATOM 376 H HB1 . ALA A1 1 25 ? -2.275 3.025 -17.932 1.0 42.21 ? 25 A 6 -ATOM 377 H HB2 . ALA A1 1 25 ? -1.456 2.812 -19.48 1.0 3.14 ? 25 A 6 -ATOM 378 H HB3 . ALA A1 1 25 ? -0.645 3.658 -18.162 1.0 44.44 ? 25 A 6 -ATOM 379 N N . ASP A1 1 26 ? -4.505 5.242 -19.639 1.0 53.31 ? 26 A 6 -ATOM 380 C CA . ASP A1 1 26 ? -5.761 5.096 -20.366 1.0 71.32 ? 26 A 6 -ATOM 381 C C . ASP A1 1 26 ? -6.112 6.382 -21.107 1.0 31.24 ? 26 A 6 -ATOM 382 O O . ASP A1 1 26 ? -6.27 7.44 -20.497 1.0 53.43 ? 26 A 6 -ATOM 383 C CB . ASP A1 1 26 ? -6.891 4.722 -19.404 1.0 21.1 ? 26 A 6 -ATOM 384 C CG . ASP A1 1 26 ? -6.652 3.389 -18.722 1.0 73.54 ? 26 A 6 -ATOM 385 O OD1 . ASP A1 1 26 ? -5.665 3.278 -17.964 1.0 73.22 ? 26 A 6 -ATOM 386 O OD2 . ASP A1 1 26 ? -7.453 2.458 -18.944 1.0 2.02 ? 26 A 6 -ATOM 387 H H . ASP A1 1 26 ? -4.457 5.869 -18.887 1.0 73.33 ? 26 A 6 -ATOM 388 H HA . ASP A1 1 26 ? -5.637 4.302 -21.087 1.0 35.3 ? 26 A 6 -ATOM 389 H HB2 . ASP A1 1 26 ? -6.975 5.485 -18.644 1.0 71.15 ? 26 A 6 -ATOM 390 H HB3 . ASP A1 1 26 ? -7.818 4.664 -19.955 1.0 51.4 ? 26 A 6 -ATOM 391 N N . THR A1 1 27 ? -6.233 6.284 -22.427 1.0 11.22 ? 27 A 6 -ATOM 392 C CA . THR A1 1 27 ? -6.563 7.439 -23.253 1.0 12.11 ? 27 A 6 -ATOM 393 C C . THR A1 1 27 ? -8.066 7.69 -23.272 1.0 24.55 ? 27 A 6 -ATOM 394 O O . THR A1 1 27 ? -8.85 6.861 -22.807 1.0 14.34 ? 27 A 6 -ATOM 395 C CB . THR A1 1 27 ? -6.066 7.256 -24.699 1.0 24.42 ? 27 A 6 -ATOM 396 O OG1 . THR A1 1 27 ? -6.13 5.874 -25.068 1.0 51.41 ? 27 A 6 -ATOM 397 C CG2 . THR A1 1 27 ? -4.639 7.761 -24.849 1.0 72.22 ? 27 A 6 -ATOM 398 H H . THR A1 1 27 ? -6.095 5.413 -22.855 1.0 1.33 ? 27 A 6 -ATOM 399 H HA . THR A1 1 27 ? -6.069 8.302 -22.831 1.0 54.42 ? 27 A 6 -ATOM 400 H HB . THR A1 1 27 ? -6.705 7.827 -25.358 1.0 51.23 ? 27 A 6 -ATOM 401 H HG1 . THR A1 1 27 ? -6.002 5.79 -26.016 1.0 23.44 ? 27 A 6 -ATOM 402 H HG21 . THR A1 1 27 ? -4.329 7.663 -25.878 1.0 20.21 ? 27 A 6 -ATOM 403 H HG22 . THR A1 1 27 ? -3.983 7.178 -24.219 1.0 40.31 ? 27 A 6 -ATOM 404 H HG23 . THR A1 1 27 ? -4.591 8.799 -24.556 1.0 53.14 ? 27 A 6 -ATOM 405 N N . VAL A1 1 28 ? -8.464 8.837 -23.812 1.0 70.04 ? 28 A 6 -ATOM 406 C CA . VAL A1 1 28 ? -9.874 9.196 -23.893 1.0 40.12 ? 28 A 6 -ATOM 407 C C . VAL A1 1 28 ? -10.688 8.082 -24.542 1.0 43.3 ? 28 A 6 -ATOM 408 O O . VAL A1 1 28 ? -11.737 7.689 -24.034 1.0 51.44 ? 28 A 6 -ATOM 409 C CB . VAL A1 1 28 ? -10.078 10.497 -24.692 1.0 70.14 ? 28 A 6 -ATOM 410 C CG1 . VAL A1 1 28 ? -11.466 11.065 -24.443 1.0 13.41 ? 28 A 6 -ATOM 411 C CG2 . VAL A1 1 28 ? -9.004 11.514 -24.335 1.0 73.55 ? 28 A 6 -ATOM 412 H H . VAL A1 1 28 ? -7.792 9.457 -24.165 1.0 50.23 ? 28 A 6 -ATOM 413 H HA . VAL A1 1 28 ? -10.237 9.355 -22.888 1.0 62.42 ? 28 A 6 -ATOM 414 H HB . VAL A1 1 28 ? -9.99 10.267 -25.744 1.0 52.41 ? 28 A 6 -ATOM 415 H HG11 . VAL A1 1 28 ? -11.488 11.553 -23.48 1.0 72.32 ? 28 A 6 -ATOM 416 H HG12 . VAL A1 1 28 ? -11.707 11.781 -25.216 1.0 75.12 ? 28 A 6 -ATOM 417 H HG13 . VAL A1 1 28 ? -12.191 10.264 -24.456 1.0 43.12 ? 28 A 6 -ATOM 418 H HG21 . VAL A1 1 28 ? -9.315 12.496 -24.66 1.0 22.23 ? 28 A 6 -ATOM 419 H HG22 . VAL A1 1 28 ? -8.857 11.519 -23.265 1.0 21.24 ? 28 A 6 -ATOM 420 H HG23 . VAL A1 1 28 ? -8.079 11.249 -24.825 1.0 51.43 ? 28 A 6 -ATOM 421 N N . GLY A1 1 29 ? -10.197 7.576 -25.669 1.0 51.02 ? 29 A 6 -ATOM 422 C CA . GLY A1 1 29 ? -10.891 6.512 -26.369 1.0 24.21 ? 29 A 6 -ATOM 423 C C . GLY A1 1 29 ? -11.347 5.406 -25.438 1.0 62.32 ? 29 A 6 -ATOM 424 O O . GLY A1 1 29 ? -12.513 5.015 -25.453 1.0 1.41 ? 29 A 6 -ATOM 425 H H . GLY A1 1 29 ? -9.355 7.929 -26.028 1.0 25.44 ? 29 A 6 -ATOM 426 H HA2 . GLY A1 1 29 ? -11.753 6.927 -26.869 1.0 33.14 ? 29 A 6 -ATOM 427 H HA3 . GLY A1 1 29 ? -10.226 6.091 -27.11 1.0 61.11 ? 29 A 6 -ATOM 428 N N . ALA A1 1 30 ? -10.424 4.9 -24.626 1.0 0.3 ? 30 A 6 -ATOM 429 C CA . ALA A1 1 30 ? -10.738 3.834 -23.683 1.0 24.42 ? 30 A 6 -ATOM 430 C C . ALA A1 1 30 ? -11.807 4.276 -22.69 1.0 23.15 ? 30 A 6 -ATOM 431 O O . ALA A1 1 30 ? -12.662 3.486 -22.29 1.0 23.32 ? 30 A 6 -ATOM 432 C CB . ALA A1 1 30 ? -9.482 3.393 -22.948 1.0 4.23 ? 30 A 6 -ATOM 433 H H . ALA A1 1 30 ? -9.511 5.254 -24.661 1.0 13.0 ? 30 A 6 -ATOM 434 H HA . ALA A1 1 30 ? -11.111 2.99 -24.246 1.0 42.35 ? 30 A 6 -ATOM 435 H HB1 . ALA A1 1 30 ? -9.748 2.692 -22.17 1.0 24.3 ? 30 A 6 -ATOM 436 H HB2 . ALA A1 1 30 ? -8.805 2.919 -23.643 1.0 15.25 ? 30 A 6 -ATOM 437 H HB3 . ALA A1 1 30 ? -9.002 4.254 -22.508 1.0 54.13 ? 30 A 6 -ATOM 438 N N . VAL A1 1 31 ? -11.753 5.544 -22.295 1.0 44.02 ? 31 A 6 -ATOM 439 C CA . VAL A1 1 31 ? -12.717 6.091 -21.348 1.0 44.43 ? 31 A 6 -ATOM 440 C C . VAL A1 1 31 ? -14.127 6.078 -21.929 1.0 22.33 ? 31 A 6 -ATOM 441 O O . VAL A1 1 31 ? -15.083 5.687 -21.258 1.0 41.34 ? 31 A 6 -ATOM 442 C CB . VAL A1 1 31 ? -12.353 7.533 -20.947 1.0 42.01 ? 31 A 6 -ATOM 443 C CG1 . VAL A1 1 31 ? -13.461 8.15 -20.106 1.0 61.22 ? 31 A 6 -ATOM 444 C CG2 . VAL A1 1 31 ? -11.028 7.56 -20.2 1.0 34.2 ? 31 A 6 -ATOM 445 H H . VAL A1 1 31 ? -11.048 6.125 -22.649 1.0 33.11 ? 31 A 6 -ATOM 446 H HA . VAL A1 1 31 ? -12.698 5.477 -20.459 1.0 53.53 ? 31 A 6 -ATOM 447 H HB . VAL A1 1 31 ? -12.247 8.12 -21.847 1.0 34.14 ? 31 A 6 -ATOM 448 H HG11 . VAL A1 1 31 ? -14.157 7.379 -19.808 1.0 24.43 ? 31 A 6 -ATOM 449 H HG12 . VAL A1 1 31 ? -13.033 8.61 -19.227 1.0 62.24 ? 31 A 6 -ATOM 450 H HG13 . VAL A1 1 31 ? -13.98 8.897 -20.687 1.0 4.44 ? 31 A 6 -ATOM 451 H HG21 . VAL A1 1 31 ? -10.234 7.819 -20.884 1.0 32.4 ? 31 A 6 -ATOM 452 H HG22 . VAL A1 1 31 ? -11.076 8.293 -19.409 1.0 31.51 ? 31 A 6 -ATOM 453 H HG23 . VAL A1 1 31 ? -10.834 6.585 -19.776 1.0 2.41 ? 31 A 6 -ATOM 454 N N . LYS A1 1 32 ? -14.249 6.506 -23.181 1.0 44.33 ? 32 A 6 -ATOM 455 C CA . LYS A1 1 32 ? -15.541 6.541 -23.855 1.0 33.41 ? 32 A 6 -ATOM 456 C C . LYS A1 1 32 ? -16.206 5.169 -23.831 1.0 33.52 ? 32 A 6 -ATOM 457 O O . LYS A1 1 32 ? -17.407 5.054 -23.59 1.0 55.22 ? 32 A 6 -ATOM 458 C CB . LYS A1 1 32 ? -15.372 7.013 -25.301 1.0 21.43 ? 32 A 6 -ATOM 459 C CG . LYS A1 1 32 ? -15.938 8.399 -25.558 1.0 62.04 ? 32 A 6 -ATOM 460 C CD . LYS A1 1 32 ? -14.84 9.447 -25.624 1.0 13.3 ? 32 A 6 -ATOM 461 C CE . LYS A1 1 32 ? -14.545 9.856 -27.059 1.0 61.02 ? 32 A 6 -ATOM 462 N NZ . LYS A1 1 32 ? -14.311 8.676 -27.936 1.0 10.13 ? 32 A 6 -ATOM 463 H H . LYS A1 1 32 ? -13.449 6.804 -23.664 1.0 0.43 ? 32 A 6 -ATOM 464 H HA . LYS A1 1 32 ? -16.171 7.242 -23.328 1.0 20.21 ? 32 A 6 -ATOM 465 H HB2 . LYS A1 1 32 ? -14.32 7.026 -25.542 1.0 31.13 ? 32 A 6 -ATOM 466 H HB3 . LYS A1 1 32 ? -15.874 6.315 -25.955 1.0 51.43 ? 32 A 6 -ATOM 467 H HG2 . LYS A1 1 32 ? -16.47 8.392 -26.498 1.0 34.55 ? 32 A 6 -ATOM 468 H HG3 . LYS A1 1 32 ? -16.619 8.654 -24.759 1.0 75.31 ? 32 A 6 -ATOM 469 H HD2 . LYS A1 1 32 ? -15.152 10.319 -25.07 1.0 62.53 ? 32 A 6 -ATOM 470 H HD3 . LYS A1 1 32 ? -13.94 9.041 -25.183 1.0 34.24 ? 32 A 6 -ATOM 471 H HE2 . LYS A1 1 32 ? -15.386 10.415 -27.44 1.0 32.35 ? 32 A 6 -ATOM 472 H HE3 . LYS A1 1 32 ? -13.664 10.481 -27.067 1.0 31.14 ? 32 A 6 -ATOM 473 H HZ1 . LYS A1 1 32 ? -15.219 8.271 -28.241 1.0 3.34 ? 32 A 6 -ATOM 474 H HZ2 . LYS A1 1 32 ? -13.775 7.948 -27.42 1.0 11.13 ? 32 A 6 -ATOM 475 H HZ3 . LYS A1 1 32 ? -13.768 8.958 -28.777 1.0 13.55 ? 32 A 6 -ATOM 476 N N . ALA A1 1 33 ? -15.415 4.13 -24.081 1.0 34.21 ? 33 A 6 -ATOM 477 C CA . ALA A1 1 33 ? -15.927 2.765 -24.084 1.0 60.31 ? 33 A 6 -ATOM 478 C C . ALA A1 1 33 ? -16.436 2.365 -22.704 1.0 31.03 ? 33 A 6 -ATOM 479 O O . ALA A1 1 33 ? -17.474 1.716 -22.577 1.0 31.32 ? 33 A 6 -ATOM 480 C CB . ALA A1 1 33 ? -14.848 1.798 -24.551 1.0 54.24 ? 33 A 6 -ATOM 481 H H . ALA A1 1 33 ? -14.466 4.285 -24.266 1.0 43.1 ? 33 A 6 -ATOM 482 H HA . ALA A1 1 33 ? -16.746 2.717 -24.787 1.0 53.01 ? 33 A 6 -ATOM 483 H HB1 . ALA A1 1 33 ? -13.948 1.96 -23.976 1.0 2.33 ? 33 A 6 -ATOM 484 H HB2 . ALA A1 1 33 ? -15.189 0.783 -24.41 1.0 61.23 ? 33 A 6 -ATOM 485 H HB3 . ALA A1 1 33 ? -14.642 1.967 -25.598 1.0 53.23 ? 33 A 6 -ATOM 486 N N . LYS A1 1 34 ? -15.698 2.757 -21.67 1.0 30.14 ? 34 A 6 -ATOM 487 C CA . LYS A1 1 34 ? -16.074 2.441 -20.297 1.0 3.41 ? 34 A 6 -ATOM 488 C C . LYS A1 1 34 ? -17.442 3.026 -19.96 1.0 51.04 ? 34 A 6 -ATOM 489 O O . LYS A1 1 34 ? -18.252 2.386 -19.289 1.0 30.3 ? 34 A 6 -ATOM 490 C CB . LYS A1 1 34 ? -15.024 2.978 -19.322 1.0 63.02 ? 34 A 6 -ATOM 491 C CG . LYS A1 1 34 ? -15.301 2.621 -17.872 1.0 24.43 ? 34 A 6 -ATOM 492 C CD . LYS A1 1 34 ? -15.192 1.124 -17.636 1.0 44.42 ? 34 A 6 -ATOM 493 C CE . LYS A1 1 34 ? -13.771 0.628 -17.854 1.0 34.12 ? 34 A 6 -ATOM 494 N NZ . LYS A1 1 34 ? -13.443 -0.523 -16.968 1.0 13.0 ? 34 A 6 -ATOM 495 H H . LYS A1 1 34 ? -14.881 3.273 -21.835 1.0 65.25 ? 34 A 6 -ATOM 496 H HA . LYS A1 1 34 ? -16.123 1.367 -20.206 1.0 3.22 ? 34 A 6 -ATOM 497 H HB2 . LYS A1 1 34 ? -14.059 2.574 -19.593 1.0 71.03 ? 34 A 6 -ATOM 498 H HB3 . LYS A1 1 34 ? -14.989 4.055 -19.406 1.0 71.12 ? 34 A 6 -ATOM 499 H HG2 . LYS A1 1 34 ? -14.585 3.127 -17.243 1.0 24.23 ? 34 A 6 -ATOM 500 H HG3 . LYS A1 1 34 ? -16.3 2.945 -17.616 1.0 22.21 ? 34 A 6 -ATOM 501 H HD2 . LYS A1 1 34 ? -15.484 0.907 -16.619 1.0 63.43 ? 34 A 6 -ATOM 502 H HD3 . LYS A1 1 34 ? -15.853 0.611 -18.32 1.0 75.33 ? 34 A 6 -ATOM 503 H HE2 . LYS A1 1 34 ? -13.666 0.32 -18.883 1.0 34.14 ? 34 A 6 -ATOM 504 H HE3 . LYS A1 1 34 ? -13.086 1.436 -17.649 1.0 0.12 ? 34 A 6 -ATOM 505 H HZ1 . LYS A1 1 34 ? -14.206 -1.229 -17.002 1.0 62.42 ? 34 A 6 -ATOM 506 H HZ2 . LYS A1 1 34 ? -13.33 -0.197 -15.987 1.0 14.2 ? 34 A 6 -ATOM 507 H HZ3 . LYS A1 1 34 ? -12.557 -0.971 -17.277 1.0 65.2 ? 34 A 6 -ATOM 508 N N . ILE A1 1 35 ? -17.692 4.243 -20.43 1.0 14.42 ? 35 A 6 -ATOM 509 C CA . ILE A1 1 35 ? -18.963 4.912 -20.179 1.0 22.32 ? 35 A 6 -ATOM 510 C C . ILE A1 1 35 ? -20.1 4.233 -20.936 1.0 74.31 ? 35 A 6 -ATOM 511 O O . ILE A1 1 35 ? -21.224 4.145 -20.44 1.0 33.23 ? 35 A 6 -ATOM 512 C CB . ILE A1 1 35 ? -18.907 6.397 -20.584 1.0 42.5 ? 35 A 6 -ATOM 513 C CG1 . ILE A1 1 35 ? -17.757 7.102 -19.862 1.0 22.04 ? 35 A 6 -ATOM 514 C CG2 . ILE A1 1 35 ? -20.231 7.08 -20.274 1.0 45.14 ? 35 A 6 -ATOM 515 C CD1 . ILE A1 1 35 ? -17.863 7.043 -18.355 1.0 11.1 ? 35 A 6 -ATOM 516 H H . ILE A1 1 35 ? -17.007 4.702 -20.958 1.0 54.44 ? 35 A 6 -ATOM 517 H HA . ILE A1 1 35 ? -19.166 4.856 -19.119 1.0 30.01 ? 35 A 6 -ATOM 518 H HB . ILE A1 1 35 ? -18.742 6.451 -21.649 1.0 2.44 ? 35 A 6 -ATOM 519 H HG12 . ILE A1 1 35 ? -16.825 6.639 -20.147 1.0 3.24 ? 35 A 6 -ATOM 520 H HG13 . ILE A1 1 35 ? -17.742 8.142 -20.155 1.0 0.11 ? 35 A 6 -ATOM 521 H HG21 . ILE A1 1 35 ? -20.072 7.856 -19.54 1.0 65.32 ? 35 A 6 -ATOM 522 H HG22 . ILE A1 1 35 ? -20.63 7.517 -21.178 1.0 43.1 ? 35 A 6 -ATOM 523 H HG23 . ILE A1 1 35 ? -20.929 6.354 -19.886 1.0 75.41 ? 35 A 6 -ATOM 524 H HD11 . ILE A1 1 35 ? -17.327 7.877 -17.924 1.0 43.52 ? 35 A 6 -ATOM 525 H HD12 . ILE A1 1 35 ? -18.901 7.096 -18.064 1.0 71.15 ? 35 A 6 -ATOM 526 H HD13 . ILE A1 1 35 ? -17.435 6.119 -17.998 1.0 74.3 ? 35 A 6 -ATOM 527 N N . TYR A1 1 36 ? -19.8 3.753 -22.137 1.0 62.53 ? 36 A 6 -ATOM 528 C CA . TYR A1 1 36 ? -20.797 3.082 -22.963 1.0 64.44 ? 36 A 6 -ATOM 529 C C . TYR A1 1 36 ? -21.414 1.901 -22.22 1.0 53.42 ? 36 A 6 -ATOM 530 O O . TYR A1 1 36 ? -22.63 1.713 -22.231 1.0 34.33 ? 36 A 6 -ATOM 531 C CB . TYR A1 1 36 ? -20.167 2.603 -24.272 1.0 74.42 ? 36 A 6 -ATOM 532 C CG . TYR A1 1 36 ? -20.506 1.171 -24.619 1.0 43.51 ? 36 A 6 -ATOM 533 C CD1 . TYR A1 1 36 ? -21.768 0.83 -25.089 1.0 62.31 ? 36 A 6 -ATOM 534 C CD2 . TYR A1 1 36 ? -19.565 0.159 -24.475 1.0 22.21 ? 36 A 6 -ATOM 535 C CE1 . TYR A1 1 36 ? -22.083 -0.477 -25.407 1.0 25.24 ? 36 A 6 -ATOM 536 C CE2 . TYR A1 1 36 ? -19.87 -1.151 -24.792 1.0 24.41 ? 36 A 6 -ATOM 537 C CZ . TYR A1 1 36 ? -21.13 -1.464 -25.257 1.0 51.0 ? 36 A 6 -ATOM 538 O OH . TYR A1 1 36 ? -21.439 -2.767 -25.572 1.0 31.41 ? 36 A 6 -ATOM 539 H H . TYR A1 1 36 ? -18.887 3.854 -22.478 1.0 42.53 ? 36 A 6 -ATOM 540 H HA . TYR A1 1 36 ? -21.575 3.796 -23.19 1.0 45.34 ? 36 A 6 -ATOM 541 H HB2 . TYR A1 1 36 ? -20.511 3.23 -25.08 1.0 32.41 ? 36 A 6 -ATOM 542 H HB3 . TYR A1 1 36 ? -19.092 2.681 -24.195 1.0 73.31 ? 36 A 6 -ATOM 543 H HD1 . TYR A1 1 36 ? -22.512 1.605 -25.206 1.0 14.41 ? 36 A 6 -ATOM 544 H HD2 . TYR A1 1 36 ? -18.579 0.408 -24.11 1.0 73.43 ? 36 A 6 -ATOM 545 H HE1 . TYR A1 1 36 ? -23.069 -0.723 -25.771 1.0 30.0 ? 36 A 6 -ATOM 546 H HE2 . TYR A1 1 36 ? -19.125 -1.923 -24.674 1.0 11.1 ? 36 A 6 -ATOM 547 H HH . TYR A1 1 36 ? -20.86 -3.359 -25.086 1.0 20.21 ? 36 A 6 -ATOM 548 N N . ASP A1 1 37 ? -20.565 1.107 -21.576 1.0 31.31 ? 37 A 6 -ATOM 549 C CA . ASP A1 1 37 ? -21.025 -0.056 -20.826 1.0 4.3 ? 37 A 6 -ATOM 550 C C . ASP A1 1 37 ? -21.671 0.367 -19.51 1.0 30.32 ? 37 A 6 -ATOM 551 O O . ASP A1 1 37 ? -22.613 -0.269 -19.036 1.0 62.0 ? 37 A 6 -ATOM 552 C CB . ASP A1 1 37 ? -19.859 -1.007 -20.553 1.0 35.43 ? 37 A 6 -ATOM 553 C CG . ASP A1 1 37 ? -20.303 -2.452 -20.444 1.0 34.32 ? 37 A 6 -ATOM 554 O OD1 . ASP A1 1 37 ? -21.073 -2.767 -19.513 1.0 31.12 ? 37 A 6 -ATOM 555 O OD2 . ASP A1 1 37 ? -19.881 -3.268 -21.29 1.0 3.2 ? 37 A 6 -ATOM 556 H H . ASP A1 1 37 ? -19.606 1.309 -21.605 1.0 51.42 ? 37 A 6 -ATOM 557 H HA . ASP A1 1 37 ? -21.762 -0.568 -21.426 1.0 32.24 ? 37 A 6 -ATOM 558 H HB2 . ASP A1 1 37 ? -19.143 -0.929 -21.358 1.0 43.14 ? 37 A 6 -ATOM 559 H HB3 . ASP A1 1 37 ? -19.382 -0.725 -19.625 1.0 34.23 ? 37 A 6 -ATOM 560 N N . LYS A1 1 38 ? -21.159 1.444 -18.924 1.0 33.03 ? 38 A 6 -ATOM 561 C CA . LYS A1 1 38 ? -21.685 1.953 -17.664 1.0 33.5 ? 38 A 6 -ATOM 562 C C . LYS A1 1 38 ? -23.177 2.251 -17.777 1.0 62.1 ? 38 A 6 -ATOM 563 O O . LYS A1 1 38 ? -23.966 1.844 -16.926 1.0 13.24 ? 38 A 6 -ATOM 564 C CB . LYS A1 1 38 ? -20.932 3.219 -17.247 1.0 32.13 ? 38 A 6 -ATOM 565 C CG . LYS A1 1 38 ? -20.113 3.05 -15.979 1.0 11.13 ? 38 A 6 -ATOM 566 C CD . LYS A1 1 38 ? -18.648 2.796 -16.292 1.0 55.11 ? 38 A 6 -ATOM 567 C CE . LYS A1 1 38 ? -18.368 1.313 -16.484 1.0 12.13 ? 38 A 6 -ATOM 568 N NZ . LYS A1 1 38 ? -17.621 0.736 -15.332 1.0 62.42 ? 38 A 6 -ATOM 569 H H . LYS A1 1 38 ? -20.408 1.909 -19.351 1.0 40.1 ? 38 A 6 -ATOM 570 H HA . LYS A1 1 38 ? -21.538 1.193 -16.912 1.0 13.43 ? 38 A 6 -ATOM 571 H HB2 . LYS A1 1 38 ? -20.265 3.506 -18.046 1.0 53.44 ? 38 A 6 -ATOM 572 H HB3 . LYS A1 1 38 ? -21.648 4.012 -17.085 1.0 74.35 ? 38 A 6 -ATOM 573 H HG2 . LYS A1 1 38 ? -20.193 3.949 -15.387 1.0 72.35 ? 38 A 6 -ATOM 574 H HG3 . LYS A1 1 38 ? -20.503 2.211 -15.419 1.0 65.33 ? 38 A 6 -ATOM 575 H HD2 . LYS A1 1 38 ? -18.386 3.32 -17.199 1.0 31.44 ? 38 A 6 -ATOM 576 H HD3 . LYS A1 1 38 ? -18.045 3.164 -15.474 1.0 51.13 ? 38 A 6 -ATOM 577 H HE2 . LYS A1 1 38 ? -19.308 0.793 -16.59 1.0 72.24 ? 38 A 6 -ATOM 578 H HE3 . LYS A1 1 38 ? -17.782 1.185 -17.383 1.0 52.14 ? 38 A 6 -ATOM 579 H HZ1 . LYS A1 1 38 ? -17.248 -0.202 -15.582 1.0 12.21 ? 38 A 6 -ATOM 580 H HZ2 . LYS A1 1 38 ? -18.252 0.639 -14.51 1.0 31.3 ? 38 A 6 -ATOM 581 H HZ3 . LYS A1 1 38 ? -16.827 1.356 -15.074 1.0 72.13 ? 38 A 6 -ATOM 582 N N . GLU A1 1 39 ? -23.555 2.962 -18.835 1.0 74.33 ? 39 A 6 -ATOM 583 C CA . GLU A1 1 39 ? -24.953 3.312 -19.059 1.0 31.43 ? 39 A 6 -ATOM 584 C C . GLU A1 1 39 ? -25.566 2.436 -20.148 1.0 55.55 ? 39 A 6 -ATOM 585 O O . GLU A1 1 39 ? -26.572 1.764 -19.926 1.0 44.25 ? 39 A 6 -ATOM 586 C CB . GLU A1 1 39 ? -25.076 4.787 -19.447 1.0 31.12 ? 39 A 6 -ATOM 587 C CG . GLU A1 1 39 ? -23.879 5.627 -19.035 1.0 22.34 ? 39 A 6 -ATOM 588 C CD . GLU A1 1 39 ? -23.763 5.781 -17.531 1.0 34.02 ? 39 A 6 -ATOM 589 O OE1 . GLU A1 1 39 ? -23.936 4.772 -16.816 1.0 60.52 ? 39 A 6 -ATOM 590 O OE2 . GLU A1 1 39 ? -23.501 6.911 -17.069 1.0 24.54 ? 39 A 6 -ATOM 591 H H . GLU A1 1 39 ? -22.879 3.258 -19.48 1.0 53.12 ? 39 A 6 -ATOM 592 H HA . GLU A1 1 39 ? -25.488 3.146 -18.137 1.0 24.23 ? 39 A 6 -ATOM 593 H HB2 . GLU A1 1 39 ? -25.188 4.857 -20.519 1.0 13.32 ? 39 A 6 -ATOM 594 H HB3 . GLU A1 1 39 ? -25.956 5.198 -18.975 1.0 53.15 ? 39 A 6 -ATOM 595 H HG2 . GLU A1 1 39 ? -22.98 5.154 -19.403 1.0 73.51 ? 39 A 6 -ATOM 596 H HG3 . GLU A1 1 39 ? -23.974 6.608 -19.477 1.0 55.55 ? 39 A 6 -ATOM 597 N N . GLY A1 1 40 ? -24.951 2.45 -21.327 1.0 41.31 ? 40 A 6 -ATOM 598 C CA . GLY A1 1 40 ? -25.449 1.654 -22.433 1.0 23.2 ? 40 A 6 -ATOM 599 C C . GLY A1 1 40 ? -25.756 2.492 -23.658 1.0 54.31 ? 40 A 6 -ATOM 600 O O . GLY A1 1 40 ? -26.808 2.335 -24.278 1.0 62.35 ? 40 A 6 -ATOM 601 H H . GLY A1 1 40 ? -24.152 3.005 -21.446 1.0 1.31 ? 40 A 6 -ATOM 602 H HA2 . GLY A1 1 40 ? -24.708 0.913 -22.692 1.0 42.33 ? 40 A 6 -ATOM 603 H HA3 . GLY A1 1 40 ? -26.353 1.15 -22.121 1.0 42.25 ? 40 A 6 -ATOM 604 N N . ILE A1 1 41 ? -24.836 3.384 -24.008 1.0 11.45 ? 41 A 6 -ATOM 605 C CA . ILE A1 1 41 ? -25.014 4.25 -25.167 1.0 13.21 ? 41 A 6 -ATOM 606 C C . ILE A1 1 41 ? -23.796 4.199 -26.084 1.0 73.14 ? 41 A 6 -ATOM 607 O O . ILE A1 1 41 ? -22.696 3.828 -25.675 1.0 54.03 ? 41 A 6 -ATOM 608 C CB . ILE A1 1 41 ? -25.263 5.711 -24.745 1.0 13.54 ? 41 A 6 -ATOM 609 C CG1 . ILE A1 1 41 ? -24.421 6.061 -23.517 1.0 35.25 ? 41 A 6 -ATOM 610 C CG2 . ILE A1 1 41 ? -26.741 5.935 -24.462 1.0 15.54 ? 41 A 6 -ATOM 611 C CD1 . ILE A1 1 41 ? -24.551 7.506 -23.087 1.0 51.21 ? 41 A 6 -ATOM 612 H H . ILE A1 1 41 ? -24.018 3.462 -23.474 1.0 10.31 ? 41 A 6 -ATOM 613 H HA . ILE A1 1 41 ? -25.878 3.902 -25.713 1.0 22.4 ? 41 A 6 -ATOM 614 H HB . ILE A1 1 41 ? -24.977 6.352 -25.564 1.0 2.22 ? 41 A 6 -ATOM 615 H HG12 . ILE A1 1 41 ? -24.727 5.441 -22.689 1.0 53.25 ? 41 A 6 -ATOM 616 H HG13 . ILE A1 1 41 ? -23.38 5.872 -23.738 1.0 73.21 ? 41 A 6 -ATOM 617 H HG21 . ILE A1 1 41 ? -26.928 5.811 -23.406 1.0 41.34 ? 41 A 6 -ATOM 618 H HG22 . ILE A1 1 41 ? -27.017 6.935 -24.76 1.0 35.01 ? 41 A 6 -ATOM 619 H HG23 . ILE A1 1 41 ? -27.327 5.219 -25.018 1.0 24.24 ? 41 A 6 -ATOM 620 H HD11 . ILE A1 1 41 ? -25.383 7.961 -23.604 1.0 13.35 ? 41 A 6 -ATOM 621 H HD12 . ILE A1 1 41 ? -24.722 7.551 -22.022 1.0 5.02 ? 41 A 6 -ATOM 622 H HD13 . ILE A1 1 41 ? -23.643 8.037 -23.33 1.0 73.01 ? 41 A 6 -ATOM 623 N N . PRO A1 1 42 ? -23.996 4.581 -27.354 1.0 42.01 ? 42 A 6 -ATOM 624 C CA . PRO A1 1 42 ? -22.925 4.59 -28.355 1.0 63.34 ? 42 A 6 -ATOM 625 C C . PRO A1 1 42 ? -21.89 5.676 -28.088 1.0 4.23 ? 42 A 6 -ATOM 626 O O . PRO A1 1 42 ? -22.198 6.868 -28.059 1.0 21.54 ? 42 A 6 -ATOM 627 C CB . PRO A1 1 42 ? -23.667 4.868 -29.665 1.0 63.45 ? 42 A 6 -ATOM 628 C CG . PRO A1 1 42 ? -24.902 5.593 -29.254 1.0 31.23 ? 42 A 6 -ATOM 629 C CD . PRO A1 1 42 ? -25.282 5.035 -27.91 1.0 52.22 ? 42 A 6 -ATOM 630 H HA . PRO A1 1 42 ? -22.432 3.631 -28.416 1.0 60.32 ? 42 A 6 -ATOM 631 H HB2 . PRO A1 1 42 ? -23.048 5.476 -30.31 1.0 50.23 ? 42 A 6 -ATOM 632 H HB3 . PRO A1 1 42 ? -23.901 3.936 -30.156 1.0 64.01 ? 42 A 6 -ATOM 633 H HG2 . PRO A1 1 42 ? -24.7 6.65 -29.177 1.0 0.11 ? 42 A 6 -ATOM 634 H HG3 . PRO A1 1 42 ? -25.69 5.411 -29.97 1.0 1.1 ? 42 A 6 -ATOM 635 H HD2 . PRO A1 1 42 ? -25.719 5.805 -27.292 1.0 11.32 ? 42 A 6 -ATOM 636 H HD3 . PRO A1 1 42 ? -25.965 4.207 -28.024 1.0 34.03 ? 42 A 6 -ATOM 637 N N . PRO A1 1 43 ? -20.631 5.259 -27.887 1.0 1.41 ? 43 A 6 -ATOM 638 C CA . PRO A1 1 43 ? -19.524 6.182 -27.619 1.0 62.53 ? 43 A 6 -ATOM 639 C C . PRO A1 1 43 ? -19.157 7.017 -28.841 1.0 21.35 ? 43 A 6 -ATOM 640 O O . PRO A1 1 43 ? -18.964 8.229 -28.742 1.0 73.42 ? 43 A 6 -ATOM 641 C CB . PRO A1 1 43 ? -18.37 5.251 -27.24 1.0 74.43 ? 43 A 6 -ATOM 642 C CG . PRO A1 1 43 ? -18.691 3.958 -27.907 1.0 42.11 ? 43 A 6 -ATOM 643 C CD . PRO A1 1 43 ? -20.191 3.854 -27.906 1.0 32.53 ? 43 A 6 -ATOM 644 H HA . PRO A1 1 43 ? -19.747 6.838 -26.79 1.0 3.1 ? 43 A 6 -ATOM 645 H HB2 . PRO A1 1 43 ? -17.438 5.663 -27.602 1.0 1.2 ? 43 A 6 -ATOM 646 H HB3 . PRO A1 1 43 ? -18.328 5.142 -26.167 1.0 52.2 ? 43 A 6 -ATOM 647 H HG2 . PRO A1 1 43 ? -18.316 3.964 -28.919 1.0 21.5 ? 43 A 6 -ATOM 648 H HG3 . PRO A1 1 43 ? -18.259 3.141 -27.349 1.0 41.32 ? 43 A 6 -ATOM 649 H HD2 . PRO A1 1 43 ? -20.535 3.355 -28.8 1.0 55.24 ? 43 A 6 -ATOM 650 H HD3 . PRO A1 1 43 ? -20.533 3.332 -27.025 1.0 31.14 ? 43 A 6 -ATOM 651 N N . ASP A1 1 44 ? -19.061 6.361 -29.992 1.0 54.12 ? 44 A 6 -ATOM 652 C CA . ASP A1 1 44 ? -18.718 7.043 -31.235 1.0 51.34 ? 44 A 6 -ATOM 653 C C . ASP A1 1 44 ? -19.763 8.099 -31.581 1.0 65.34 ? 44 A 6 -ATOM 654 O O . ASP A1 1 44 ? -19.509 8.995 -32.387 1.0 41.23 ? 44 A 6 -ATOM 655 C CB . ASP A1 1 44 ? -18.596 6.035 -32.378 1.0 23.35 ? 44 A 6 -ATOM 656 C CG . ASP A1 1 44 ? -17.721 6.542 -33.507 1.0 52.14 ? 44 A 6 -ATOM 657 O OD1 . ASP A1 1 44 ? -16.86 7.408 -33.246 1.0 70.43 ? 44 A 6 -ATOM 658 O OD2 . ASP A1 1 44 ? -17.897 6.075 -34.652 1.0 15.14 ? 44 A 6 -ATOM 659 H H . ASP A1 1 44 ? -19.227 5.395 -30.007 1.0 64.31 ? 44 A 6 -ATOM 660 H HA . ASP A1 1 44 ? -17.765 7.53 -31.093 1.0 72.42 ? 44 A 6 -ATOM 661 H HB2 . ASP A1 1 44 ? -18.166 5.119 -31.998 1.0 64.21 ? 44 A 6 -ATOM 662 H HB3 . ASP A1 1 44 ? -19.58 5.828 -32.774 1.0 74.33 ? 44 A 6 -ATOM 663 N N . GLN A1 1 45 ? -20.936 7.987 -30.967 1.0 24.51 ? 45 A 6 -ATOM 664 C CA . GLN A1 1 45 ? -22.019 8.932 -31.213 1.0 55.1 ? 45 A 6 -ATOM 665 C C . GLN A1 1 45 ? -21.949 10.105 -30.24 1.0 65.33 ? 45 A 6 -ATOM 666 O O . GLN A1 1 45 ? -22.631 11.114 -30.421 1.0 0.12 ? 45 A 6 -ATOM 667 C CB . GLN A1 1 45 ? -23.374 8.232 -31.089 1.0 3.33 ? 45 A 6 -ATOM 668 C CG . GLN A1 1 45 ? -23.844 7.585 -32.381 1.0 71.05 ? 45 A 6 -ATOM 669 C CD . GLN A1 1 45 ? -25.009 6.638 -32.17 1.0 50.21 ? 45 A 6 -ATOM 670 O OE1 . GLN A1 1 45 ? -26.056 7.029 -31.652 1.0 30.33 ? 45 A 6 -ATOM 671 N NE2 . GLN A1 1 45 ? -24.834 5.384 -32.569 1.0 54.11 ? 45 A 6 -ATOM 672 H H . GLN A1 1 45 ? -21.077 7.252 -30.336 1.0 33.14 ? 45 A 6 -ATOM 673 H HA . GLN A1 1 45 ? -21.91 9.308 -32.219 1.0 54.13 ? 45 A 6 -ATOM 674 H HB2 . GLN A1 1 45 ? -23.301 7.465 -30.333 1.0 72.22 ? 45 A 6 -ATOM 675 H HB3 . GLN A1 1 45 ? -24.114 8.957 -30.785 1.0 51.24 ? 45 A 6 -ATOM 676 H HG2 . GLN A1 1 45 ? -24.151 8.361 -33.067 1.0 11.31 ? 45 A 6 -ATOM 677 H HG3 . GLN A1 1 45 ? -23.023 7.031 -32.811 1.0 33.23 ? 45 A 6 -ATOM 678 H HE21 . GLN A1 1 45 ? -23.973 5.143 -32.972 1.0 35.4 ? 45 A 6 -ATOM 679 H HE22 . GLN A1 1 45 ? -25.57 4.751 -32.444 1.0 53.4 ? 45 A 6 -ATOM 680 N N . GLN A1 1 46 ? -21.122 9.964 -29.21 1.0 5.34 ? 46 A 6 -ATOM 681 C CA . GLN A1 1 46 ? -20.965 11.012 -28.208 1.0 54.21 ? 46 A 6 -ATOM 682 C C . GLN A1 1 46 ? -19.537 11.548 -28.2 1.0 23.33 ? 46 A 6 -ATOM 683 O O . GLN A1 1 46 ? -18.598 10.846 -28.579 1.0 42.0 ? 46 A 6 -ATOM 684 C CB . GLN A1 1 46 ? -21.33 10.481 -26.821 1.0 54.1 ? 46 A 6 -ATOM 685 C CG . GLN A1 1 46 ? -20.554 9.236 -26.423 1.0 63.33 ? 46 A 6 -ATOM 686 C CD . GLN A1 1 46 ? -20.509 9.032 -24.921 1.0 73.34 ? 46 A 6 -ATOM 687 O OE1 . GLN A1 1 46 ? -21.546 8.981 -24.259 1.0 62.34 ? 46 A 6 -ATOM 688 N NE2 . GLN A1 1 46 ? -19.304 8.915 -24.375 1.0 52.51 ? 46 A 6 -ATOM 689 H H . GLN A1 1 46 ? -20.606 9.136 -29.12 1.0 61.13 ? 46 A 6 -ATOM 690 H HA . GLN A1 1 46 ? -21.636 11.818 -28.463 1.0 1.54 ? 46 A 6 -ATOM 691 H HB2 . GLN A1 1 46 ? -21.134 11.251 -26.09 1.0 70.34 ? 46 A 6 -ATOM 692 H HB3 . GLN A1 1 46 ? -22.383 10.241 -26.807 1.0 24.41 ? 46 A 6 -ATOM 693 H HG2 . GLN A1 1 46 ? -21.023 8.374 -26.873 1.0 71.34 ? 46 A 6 -ATOM 694 H HG3 . GLN A1 1 46 ? -19.542 9.326 -26.789 1.0 12.44 ? 46 A 6 -ATOM 695 H HE21 . GLN A1 1 46 ? -18.522 8.967 -24.964 1.0 61.21 ? 46 A 6 -ATOM 696 H HE22 . GLN A1 1 46 ? -19.246 8.783 -23.406 1.0 54.41 ? 46 A 6 -ATOM 697 N N . ARG A1 1 47 ? -19.38 12.794 -27.768 1.0 11.31 ? 47 A 6 -ATOM 698 C CA . ARG A1 1 47 ? -18.066 13.424 -27.712 1.0 74.42 ? 47 A 6 -ATOM 699 C C . ARG A1 1 47 ? -17.878 14.174 -26.397 1.0 0.05 ? 47 A 6 -ATOM 700 O O . ARG A1 1 47 ? -18.842 14.439 -25.677 1.0 62.43 ? 47 A 6 -ATOM 701 C CB . ARG A1 1 47 ? -17.888 14.385 -28.889 1.0 53.24 ? 47 A 6 -ATOM 702 C CG . ARG A1 1 47 ? -18.192 13.757 -30.24 1.0 25.13 ? 47 A 6 -ATOM 703 C CD . ARG A1 1 47 ? -18.32 14.811 -31.328 1.0 74.31 ? 47 A 6 -ATOM 704 N NE . ARG A1 1 47 ? -19.698 15.266 -31.491 1.0 72.02 ? 47 A 6 -ATOM 705 C CZ . ARG A1 1 47 ? -20.045 16.308 -32.239 1.0 4.33 ? 47 A 6 -ATOM 706 N NH1 . ARG A1 1 47 ? -19.119 16.998 -32.889 1.0 22.33 ? 47 A 6 -ATOM 707 N NH2 . ARG A1 1 47 ? -21.32 16.66 -32.337 1.0 24.44 ? 47 A 6 -ATOM 708 H H . ARG A1 1 47 ? -20.166 13.303 -27.48 1.0 14.32 ? 47 A 6 -ATOM 709 H HA . ARG A1 1 47 ? -17.321 12.645 -27.779 1.0 52.1 ? 47 A 6 -ATOM 710 H HB2 . ARG A1 1 47 ? -18.547 15.229 -28.753 1.0 12.43 ? 47 A 6 -ATOM 711 H HB3 . ARG A1 1 47 ? -16.866 14.735 -28.901 1.0 31.22 ? 47 A 6 -ATOM 712 H HG2 . ARG A1 1 47 ? -17.391 13.082 -30.501 1.0 2.15 ? 47 A 6 -ATOM 713 H HG3 . ARG A1 1 47 ? -19.119 13.209 -30.17 1.0 3.22 ? 47 A 6 -ATOM 714 H HD2 . ARG A1 1 47 ? -17.701 15.657 -31.067 1.0 62.34 ? 47 A 6 -ATOM 715 H HD3 . ARG A1 1 47 ? -17.977 14.389 -32.261 1.0 4.32 ? 47 A 6 -ATOM 716 H HE . ARG A1 1 47 ? -20.398 14.77 -31.019 1.0 51.12 ? 47 A 6 -ATOM 717 H HH11 . ARG A1 1 47 ? -18.157 16.735 -32.818 1.0 35.02 ? 47 A 6 -ATOM 718 H HH12 . ARG A1 1 47 ? -19.383 17.782 -33.453 1.0 42.25 ? 47 A 6 -ATOM 719 H HH21 . ARG A1 1 47 ? -22.021 16.141 -31.848 1.0 32.54 ? 47 A 6 -ATOM 720 H HH22 . ARG A1 1 47 ? -21.58 17.444 -32.9 1.0 51.04 ? 47 A 6 -ATOM 721 N N . LEU A1 1 48 ? -16.631 14.513 -26.088 1.0 13.42 ? 48 A 6 -ATOM 722 C CA . LEU A1 1 48 ? -16.315 15.232 -24.859 1.0 63.04 ? 48 A 6 -ATOM 723 C C . LEU A1 1 48 ? -16.037 16.704 -25.145 1.0 70.54 ? 48 A 6 -ATOM 724 O O . LEU A1 1 48 ? -15.493 17.05 -26.195 1.0 13.22 ? 48 A 6 -ATOM 725 C CB . LEU A1 1 48 ? -15.106 14.597 -24.17 1.0 73.22 ? 48 A 6 -ATOM 726 C CG . LEU A1 1 48 ? -14.989 13.077 -24.285 1.0 23.01 ? 48 A 6 -ATOM 727 C CD1 . LEU A1 1 48 ? -16.355 12.424 -24.139 1.0 2.23 ? 48 A 6 -ATOM 728 C CD2 . LEU A1 1 48 ? -14.35 12.69 -25.61 1.0 62.5 ? 48 A 6 -ATOM 729 H H . LEU A1 1 48 ? -15.905 14.274 -26.701 1.0 13.1 ? 48 A 6 -ATOM 730 H HA . LEU A1 1 48 ? -17.171 15.16 -24.204 1.0 5.14 ? 48 A 6 -ATOM 731 H HB2 . LEU A1 1 48 ? -14.216 15.03 -24.599 1.0 14.35 ? 48 A 6 -ATOM 732 H HB3 . LEU A1 1 48 ? -15.156 14.848 -23.12 1.0 62.22 ? 48 A 6 -ATOM 733 H HG . LEU A1 1 48 ? -14.358 12.709 -23.488 1.0 74.12 ? 48 A 6 -ATOM 734 H HD11 . LEU A1 1 48 ? -16.781 12.259 -25.117 1.0 72.12 ? 48 A 6 -ATOM 735 H HD12 . LEU A1 1 48 ? -17.005 13.071 -23.569 1.0 51.52 ? 48 A 6 -ATOM 736 H HD13 . LEU A1 1 48 ? -16.25 11.479 -23.627 1.0 50.13 ? 48 A 6 -ATOM 737 H HD21 . LEU A1 1 48 ? -13.721 13.497 -25.956 1.0 32.51 ? 48 A 6 -ATOM 738 H HD22 . LEU A1 1 48 ? -15.123 12.497 -26.34 1.0 4.35 ? 48 A 6 -ATOM 739 H HD23 . LEU A1 1 48 ? -13.753 11.799 -25.475 1.0 44.23 ? 48 A 6 -ATOM 740 N N . ILE A1 1 49 ? -16.411 17.565 -24.205 1.0 13.31 ? 49 A 6 -ATOM 741 C CA . ILE A1 1 49 ? -16.198 18.999 -24.356 1.0 13.25 ? 49 A 6 -ATOM 742 C C . ILE A1 1 49 ? -15.745 19.628 -23.043 1.0 73.24 ? 49 A 6 -ATOM 743 O O . ILE A1 1 49 ? -16.413 19.5 -22.017 1.0 20.41 ? 49 A 6 -ATOM 744 C CB . ILE A1 1 49 ? -17.476 19.71 -24.838 1.0 42.12 ? 49 A 6 -ATOM 745 C CG1 . ILE A1 1 49 ? -17.522 19.742 -26.367 1.0 21.4 ? 49 A 6 -ATOM 746 C CG2 . ILE A1 1 49 ? -17.544 21.121 -24.271 1.0 44.11 ? 49 A 6 -ATOM 747 C CD1 . ILE A1 1 49 ? -18.837 19.263 -26.942 1.0 30.32 ? 49 A 6 -ATOM 748 H H . ILE A1 1 49 ? -16.839 17.228 -23.391 1.0 11.12 ? 49 A 6 -ATOM 749 H HA . ILE A1 1 49 ? -15.427 19.146 -25.098 1.0 31.54 ? 49 A 6 -ATOM 750 H HB . ILE A1 1 49 ? -18.329 19.16 -24.471 1.0 10.22 ? 49 A 6 -ATOM 751 H HG12 . ILE A1 1 49 ? -17.362 20.754 -26.705 1.0 52.53 ? 49 A 6 -ATOM 752 H HG13 . ILE A1 1 49 ? -16.738 19.108 -26.756 1.0 23.14 ? 49 A 6 -ATOM 753 H HG21 . ILE A1 1 49 ? -17.833 21.077 -23.232 1.0 54.41 ? 49 A 6 -ATOM 754 H HG22 . ILE A1 1 49 ? -16.574 21.588 -24.355 1.0 2.4 ? 49 A 6 -ATOM 755 H HG23 . ILE A1 1 49 ? -18.271 21.697 -24.824 1.0 53.42 ? 49 A 6 -ATOM 756 H HD11 . ILE A1 1 49 ? -19.449 18.855 -26.15 1.0 43.14 ? 49 A 6 -ATOM 757 H HD12 . ILE A1 1 49 ? -19.352 20.093 -27.403 1.0 61.33 ? 49 A 6 -ATOM 758 H HD13 . ILE A1 1 49 ? -18.65 18.499 -27.681 1.0 3.14 ? 49 A 6 -ATOM 759 N N . PHE A1 1 50 ? -14.605 20.311 -23.082 1.0 0.44 ? 50 A 6 -ATOM 760 C CA . PHE A1 1 50 ? -14.062 20.962 -21.896 1.0 63.4 ? 50 A 6 -ATOM 761 C C . PHE A1 1 50 ? -13.76 22.431 -22.172 1.0 34.31 ? 50 A 6 -ATOM 762 O O . PHE A1 1 50 ? -13.02 22.761 -23.098 1.0 24.03 ? 50 A 6 -ATOM 763 C CB . PHE A1 1 50 ? -12.792 20.246 -21.432 1.0 1.31 ? 50 A 6 -ATOM 764 C CG . PHE A1 1 50 ? -12.409 20.562 -20.014 1.0 63.44 ? 50 A 6 -ATOM 765 C CD1 . PHE A1 1 50 ? -11.849 21.787 -19.691 1.0 63.22 ? 50 A 6 -ATOM 766 C CD2 . PHE A1 1 50 ? -12.611 19.634 -19.006 1.0 31.12 ? 50 A 6 -ATOM 767 C CE1 . PHE A1 1 50 ? -11.495 22.079 -18.387 1.0 44.05 ? 50 A 6 -ATOM 768 C CE2 . PHE A1 1 50 ? -12.259 19.921 -17.7 1.0 53.14 ? 50 A 6 -ATOM 769 C CZ . PHE A1 1 50 ? -11.702 21.146 -17.39 1.0 64.24 ? 50 A 6 -ATOM 770 H H . PHE A1 1 50 ? -14.118 20.378 -23.93 1.0 32.43 ? 50 A 6 -ATOM 771 H HA . PHE A1 1 50 ? -14.805 20.9 -21.116 1.0 55.42 ? 50 A 6 -ATOM 772 H HB2 . PHE A1 1 50 ? -12.941 19.179 -21.505 1.0 72.21 ? 50 A 6 -ATOM 773 H HB3 . PHE A1 1 50 ? -11.971 20.535 -22.071 1.0 52.42 ? 50 A 6 -ATOM 774 H HD1 . PHE A1 1 50 ? -11.687 22.518 -20.469 1.0 64.41 ? 50 A 6 -ATOM 775 H HD2 . PHE A1 1 50 ? -13.047 18.675 -19.247 1.0 25.0 ? 50 A 6 -ATOM 776 H HE1 . PHE A1 1 50 ? -11.06 23.038 -18.147 1.0 33.34 ? 50 A 6 -ATOM 777 H HE2 . PHE A1 1 50 ? -12.423 19.188 -16.923 1.0 34.14 ? 50 A 6 -ATOM 778 H HZ . PHE A1 1 50 ? -11.426 21.372 -16.371 1.0 42.2 ? 50 A 6 -ATOM 779 N N . GLY A1 1 51 ? -14.338 23.311 -21.36 1.0 53.44 ? 51 A 6 -ATOM 780 C CA . GLY A1 1 51 ? -14.12 24.736 -21.533 1.0 33.5 ? 51 A 6 -ATOM 781 C C . GLY A1 1 51 ? -14.716 25.261 -22.824 1.0 34.32 ? 51 A 6 -ATOM 782 O O . GLY A1 1 51 ? -14.472 26.404 -23.209 1.0 0.02 ? 51 A 6 -ATOM 783 H H . GLY A1 1 51 ? -14.918 22.991 -20.638 1.0 14.34 ? 51 A 6 -ATOM 784 H HA2 . GLY A1 1 51 ? -14.566 25.261 -20.702 1.0 71.3 ? 51 A 6 -ATOM 785 H HA3 . GLY A1 1 51 ? -13.057 24.927 -21.538 1.0 2.33 ? 51 A 6 -ATOM 786 N N . GLY A1 1 52 ? -15.5 24.424 -23.496 1.0 51.33 ? 52 A 6 -ATOM 787 C CA . GLY A1 1 52 ? -16.119 24.828 -24.745 1.0 70.11 ? 52 A 6 -ATOM 788 C C . GLY A1 1 52 ? -15.563 24.076 -25.938 1.0 64.35 ? 52 A 6 -ATOM 789 O O . GLY A1 1 52 ? -16.265 23.856 -26.925 1.0 21.12 ? 52 A 6 -ATOM 790 H H . GLY A1 1 52 ? -15.66 23.524 -23.141 1.0 52.33 ? 52 A 6 -ATOM 791 H HA2 . GLY A1 1 52 ? -17.182 24.647 -24.682 1.0 34.31 ? 52 A 6 -ATOM 792 H HA3 . GLY A1 1 52 ? -15.952 25.885 -24.891 1.0 33.12 ? 52 A 6 -ATOM 793 N N . LYS A1 1 53 ? -14.298 23.681 -25.848 1.0 4.12 ? 53 A 6 -ATOM 794 C CA . LYS A1 1 53 ? -13.646 22.949 -26.928 1.0 20.15 ? 53 A 6 -ATOM 795 C C . LYS A1 1 53 ? -13.742 21.444 -26.701 1.0 12.34 ? 53 A 6 -ATOM 796 O O . LYS A1 1 53 ? -13.732 20.978 -25.563 1.0 53.3 ? 53 A 6 -ATOM 797 C CB . LYS A1 1 53 ? -12.178 23.366 -27.041 1.0 12.13 ? 53 A 6 -ATOM 798 C CG . LYS A1 1 53 ? -11.412 23.252 -25.734 1.0 34.42 ? 53 A 6 -ATOM 799 C CD . LYS A1 1 53 ? -10.759 21.888 -25.587 1.0 44.0 ? 53 A 6 -ATOM 800 C CE . LYS A1 1 53 ? -9.688 21.666 -26.643 1.0 75.53 ? 53 A 6 -ATOM 801 N NZ . LYS A1 1 53 ? -8.476 21.012 -26.076 1.0 61.53 ? 53 A 6 -ATOM 802 H H . LYS A1 1 53 ? -13.79 23.885 -25.035 1.0 32.12 ? 53 A 6 -ATOM 803 H HA . LYS A1 1 53 ? -14.153 23.196 -27.849 1.0 74.23 ? 53 A 6 -ATOM 804 H HB2 . LYS A1 1 53 ? -11.693 22.738 -27.774 1.0 34.02 ? 53 A 6 -ATOM 805 H HB3 . LYS A1 1 53 ? -12.132 24.393 -27.372 1.0 32.22 ? 53 A 6 -ATOM 806 H HG2 . LYS A1 1 53 ? -10.643 24.011 -25.71 1.0 24.24 ? 53 A 6 -ATOM 807 H HG3 . LYS A1 1 53 ? -12.096 23.405 -24.912 1.0 53.0 ? 53 A 6 -ATOM 808 H HD2 . LYS A1 1 53 ? -10.305 21.819 -24.61 1.0 22.42 ? 53 A 6 -ATOM 809 H HD3 . LYS A1 1 53 ? -11.517 21.124 -25.688 1.0 0.05 ? 53 A 6 -ATOM 810 H HE2 . LYS A1 1 53 ? -10.093 21.038 -27.422 1.0 25.2 ? 53 A 6 -ATOM 811 H HE3 . LYS A1 1 53 ? -9.409 22.622 -27.061 1.0 75.24 ? 53 A 6 -ATOM 812 H HZ1 . LYS A1 1 53 ? -7.837 21.729 -25.677 1.0 1.33 ? 53 A 6 -ATOM 813 H HZ2 . LYS A1 1 53 ? -7.972 20.488 -26.819 1.0 14.14 ? 53 A 6 -ATOM 814 H HZ3 . LYS A1 1 53 ? -8.748 20.348 -25.323 1.0 31.25 ? 53 A 6 -ATOM 815 N N . GLN A1 1 54 ? -13.834 20.69 -27.792 1.0 32.1 ? 54 A 6 -ATOM 816 C CA . GLN A1 1 54 ? -13.932 19.238 -27.711 1.0 3.14 ? 54 A 6 -ATOM 817 C C . GLN A1 1 54 ? -12.615 18.63 -27.24 1.0 14.5 ? 54 A 6 -ATOM 818 O O . GLN A1 1 54 ? -11.603 19.323 -27.13 1.0 22.04 ? 54 A 6 -ATOM 819 C CB . GLN A1 1 54 ? -14.319 18.654 -29.071 1.0 14.03 ? 54 A 6 -ATOM 820 C CG . GLN A1 1 54 ? -15.71 18.043 -29.097 1.0 52.41 ? 54 A 6 -ATOM 821 C CD . GLN A1 1 54 ? -16.155 17.662 -30.495 1.0 44.23 ? 54 A 6 -ATOM 822 O OE1 . GLN A1 1 54 ? -17.159 18.165 -30.999 1.0 25.33 ? 54 A 6 -ATOM 823 N NE2 . GLN A1 1 54 ? -15.406 16.768 -31.131 1.0 63.1 ? 54 A 6 -ATOM 824 H H . GLN A1 1 54 ? -13.838 21.121 -28.672 1.0 52.11 ? 54 A 6 -ATOM 825 H HA . GLN A1 1 54 ? -14.702 18.997 -26.994 1.0 62.04 ? 54 A 6 -ATOM 826 H HB2 . GLN A1 1 54 ? -14.28 19.44 -29.811 1.0 31.24 ? 54 A 6 -ATOM 827 H HB3 . GLN A1 1 54 ? -13.607 17.886 -29.336 1.0 25.42 ? 54 A 6 -ATOM 828 H HG2 . GLN A1 1 54 ? -15.711 17.155 -28.481 1.0 52.11 ? 54 A 6 -ATOM 829 H HG3 . GLN A1 1 54 ? -16.411 18.759 -28.694 1.0 53.52 ? 54 A 6 -ATOM 830 H HE21 . GLN A1 1 54 ? -14.621 16.408 -30.667 1.0 45.55 ? 54 A 6 -ATOM 831 H HE22 . GLN A1 1 54 ? -15.671 16.503 -32.036 1.0 62.42 ? 54 A 6 -ATOM 832 N N . LEU A1 1 55 ? -12.635 17.331 -26.962 1.0 51.34 ? 55 A 6 -ATOM 833 C CA . LEU A1 1 55 ? -11.442 16.629 -26.502 1.0 40.45 ? 55 A 6 -ATOM 834 C C . LEU A1 1 55 ? -11.109 15.459 -27.423 1.0 63.5 ? 55 A 6 -ATOM 835 O O . LEU A1 1 55 ? -11.963 14.621 -27.71 1.0 52.11 ? 55 A 6 -ATOM 836 C CB . LEU A1 1 55 ? -11.642 16.125 -25.071 1.0 25.03 ? 55 A 6 -ATOM 837 C CG . LEU A1 1 55 ? -12.2 17.141 -24.074 1.0 41.33 ? 55 A 6 -ATOM 838 C CD1 . LEU A1 1 55 ? -12.22 16.557 -22.671 1.0 33.24 ? 55 A 6 -ATOM 839 C CD2 . LEU A1 1 55 ? -11.384 18.425 -24.108 1.0 52.23 ? 55 A 6 -ATOM 840 H H . LEU A1 1 55 ? -13.47 16.831 -27.068 1.0 12.34 ? 55 A 6 -ATOM 841 H HA . LEU A1 1 55 ? -10.619 17.328 -26.517 1.0 22.21 ? 55 A 6 -ATOM 842 H HB2 . LEU A1 1 55 ? -12.323 15.289 -25.107 1.0 55.1 ? 55 A 6 -ATOM 843 H HB3 . LEU A1 1 55 ? -10.683 15.791 -24.702 1.0 51.11 ? 55 A 6 -ATOM 844 H HG . LEU A1 1 55 ? -13.218 17.384 -24.349 1.0 72.12 ? 55 A 6 -ATOM 845 H HD11 . LEU A1 1 55 ? -13.19 16.127 -22.474 1.0 32.04 ? 55 A 6 -ATOM 846 H HD12 . LEU A1 1 55 ? -12.02 17.338 -21.952 1.0 44.35 ? 55 A 6 -ATOM 847 H HD13 . LEU A1 1 55 ? -11.463 15.791 -22.589 1.0 32.21 ? 55 A 6 -ATOM 848 H HD21 . LEU A1 1 55 ? -11.879 19.15 -24.736 1.0 33.14 ? 55 A 6 -ATOM 849 H HD22 . LEU A1 1 55 ? -10.401 18.216 -24.504 1.0 72.01 ? 55 A 6 -ATOM 850 H HD23 . LEU A1 1 55 ? -11.292 18.819 -23.106 1.0 74.33 ? 55 A 6 -ATOM 851 N N . GLU A1 1 56 ? -9.862 15.408 -27.88 1.0 12.02 ? 56 A 6 -ATOM 852 C CA . GLU A1 1 56 ? -9.417 14.34 -28.767 1.0 31.33 ? 56 A 6 -ATOM 853 C C . GLU A1 1 56 ? -9.426 12.995 -28.047 1.0 62.51 ? 56 A 6 -ATOM 854 O O . GLU A1 1 56 ? -9.791 12.91 -26.874 1.0 51.02 ? 56 A 6 -ATOM 855 C CB . GLU A1 1 56 ? -8.013 14.638 -29.297 1.0 62.01 ? 56 A 6 -ATOM 856 C CG . GLU A1 1 56 ? -7.832 14.301 -30.767 1.0 21.02 ? 56 A 6 -ATOM 857 C CD . GLU A1 1 56 ? -7.948 15.519 -31.663 1.0 1.0 ? 56 A 6 -ATOM 858 O OE1 . GLU A1 1 56 ? -8.495 16.544 -31.205 1.0 61.34 ? 56 A 6 -ATOM 859 O OE2 . GLU A1 1 56 ? -7.492 15.446 -32.824 1.0 22.01 ? 56 A 6 -ATOM 860 H H . GLU A1 1 56 ? -9.227 16.106 -27.616 1.0 72.43 ? 56 A 6 -ATOM 861 H HA . GLU A1 1 56 ? -10.103 14.293 -29.6 1.0 4.21 ? 56 A 6 -ATOM 862 H HB2 . GLU A1 1 56 ? -7.805 15.689 -29.161 1.0 41.11 ? 56 A 6 -ATOM 863 H HB3 . GLU A1 1 56 ? -7.298 14.063 -28.727 1.0 51.02 ? 56 A 6 -ATOM 864 H HG2 . GLU A1 1 56 ? -6.855 13.863 -30.906 1.0 71.31 ? 56 A 6 -ATOM 865 H HG3 . GLU A1 1 56 ? -8.59 13.587 -31.055 1.0 60.44 ? 56 A 6 -ATOM 866 N N . ASP A1 1 57 ? -9.023 11.947 -28.757 1.0 71.03 ? 57 A 6 -ATOM 867 C CA . ASP A1 1 57 ? -8.984 10.606 -28.186 1.0 63.41 ? 57 A 6 -ATOM 868 C C . ASP A1 1 57 ? -7.845 10.477 -27.179 1.0 21.4 ? 57 A 6 -ATOM 869 O O . ASP A1 1 57 ? -7.837 9.568 -26.349 1.0 43.31 ? 57 A 6 -ATOM 870 C CB . ASP A1 1 57 ? -8.823 9.562 -29.292 1.0 45.31 ? 57 A 6 -ATOM 871 C CG . ASP A1 1 57 ? -9.736 9.826 -30.474 1.0 55.43 ? 57 A 6 -ATOM 872 O OD1 . ASP A1 1 57 ? -10.811 10.428 -30.27 1.0 72.35 ? 57 A 6 -ATOM 873 O OD2 . ASP A1 1 57 ? -9.376 9.429 -31.602 1.0 15.11 ? 57 A 6 -ATOM 874 H H . ASP A1 1 57 ? -8.744 12.079 -29.687 1.0 23.12 ? 57 A 6 -ATOM 875 H HA . ASP A1 1 57 ? -9.92 10.435 -27.675 1.0 62.14 ? 57 A 6 -ATOM 876 H HB2 . ASP A1 1 57 ? -7.801 9.572 -29.642 1.0 24.44 ? 57 A 6 -ATOM 877 H HB3 . ASP A1 1 57 ? -9.054 8.586 -28.893 1.0 64.03 ? 57 A 6 -ATOM 878 N N . SER A1 1 58 ? -6.884 11.392 -27.26 1.0 32.51 ? 58 A 6 -ATOM 879 C CA . SER A1 1 58 ? -5.738 11.378 -26.359 1.0 62.24 ? 58 A 6 -ATOM 880 C C . SER A1 1 58 ? -5.803 12.544 -25.377 1.0 2.12 ? 58 A 6 -ATOM 881 O O . SER A1 1 58 ? -4.889 12.751 -24.581 1.0 12.21 ? 58 A 6 -ATOM 882 C CB . SER A1 1 58 ? -4.434 11.441 -27.157 1.0 65.11 ? 58 A 6 -ATOM 883 O OG . SER A1 1 58 ? -3.307 11.365 -26.301 1.0 34.21 ? 58 A 6 -ATOM 884 H H . SER A1 1 58 ? -6.947 12.092 -27.943 1.0 21.03 ? 58 A 6 -ATOM 885 H HA . SER A1 1 58 ? -5.765 10.453 -25.802 1.0 33.55 ? 58 A 6 -ATOM 886 H HB2 . SER A1 1 58 ? -4.4 10.615 -27.851 1.0 31.42 ? 58 A 6 -ATOM 887 H HB3 . SER A1 1 58 ? -4.394 12.372 -27.703 1.0 40.4 ? 58 A 6 -ATOM 888 H HG . SER A1 1 58 ? -3.471 10.715 -25.613 1.0 10.23 ? 58 A 6 -ATOM 889 N N . ASN A1 1 59 ? -6.892 13.303 -25.442 1.0 35.41 ? 59 A 6 -ATOM 890 C CA . ASN A1 1 59 ? -7.078 14.45 -24.561 1.0 52.34 ? 59 A 6 -ATOM 891 C C . ASN A1 1 59 ? -7.559 14.004 -23.183 1.0 4.01 ? 59 A 6 -ATOM 892 O O . ASN A1 1 59 ? -8.757 14.015 -22.899 1.0 42.21 ? 59 A 6 -ATOM 893 C CB . ASN A1 1 59 ? -8.081 15.431 -25.171 1.0 21.1 ? 59 A 6 -ATOM 894 C CG . ASN A1 1 59 ? -7.411 16.478 -26.039 1.0 14.54 ? 59 A 6 -ATOM 895 O OD1 . ASN A1 1 59 ? -6.497 16.172 -26.805 1.0 24.42 ? 59 A 6 -ATOM 896 N ND2 . ASN A1 1 59 ? -7.864 17.721 -25.924 1.0 14.44 ? 59 A 6 -ATOM 897 H H . ASN A1 1 59 ? -7.587 13.088 -26.099 1.0 5.51 ? 59 A 6 -ATOM 898 H HA . ASN A1 1 59 ? -6.124 14.944 -24.454 1.0 74.51 ? 59 A 6 -ATOM 899 H HB2 . ASN A1 1 59 ? -8.786 14.884 -25.78 1.0 43.43 ? 59 A 6 -ATOM 900 H HB3 . ASN A1 1 59 ? -8.612 15.934 -24.377 1.0 11.21 ? 59 A 6 -ATOM 901 H HD21 . ASN A1 1 59 ? -8.595 17.891 -25.293 1.0 21.33 ? 59 A 6 -ATOM 902 H HD22 . ASN A1 1 59 ? -7.449 18.417 -26.474 1.0 12.0 ? 59 A 6 -ATOM 903 N N . ALA A1 1 60 ? -6.617 13.614 -22.331 1.0 13.11 ? 60 A 6 -ATOM 904 C CA . ALA A1 1 60 ? -6.944 13.167 -20.983 1.0 35.51 ? 60 A 6 -ATOM 905 C C . ALA A1 1 60 ? -5.68 12.878 -20.179 1.0 74.01 ? 60 A 6 -ATOM 906 O O . ALA A1 1 60 ? -5.165 13.75 -19.48 1.0 74.24 ? 60 A 6 -ATOM 907 C CB . ALA A1 1 60 ? -7.832 11.933 -21.036 1.0 64.13 ? 60 A 6 -ATOM 908 H H . ALA A1 1 60 ? -5.68 13.628 -22.616 1.0 31.12 ? 60 A 6 -ATOM 909 H HA . ALA A1 1 60 ? -7.496 13.957 -20.494 1.0 20.01 ? 60 A 6 -ATOM 910 H HB1 . ALA A1 1 60 ? -7.398 11.207 -21.708 1.0 72.33 ? 60 A 6 -ATOM 911 H HB2 . ALA A1 1 60 ? -7.914 11.506 -20.048 1.0 25.02 ? 60 A 6 -ATOM 912 H HB3 . ALA A1 1 60 ? -8.813 12.211 -21.391 1.0 51.02 ? 60 A 6 -ATOM 913 N N . MET A1 1 61 ? -5.188 11.648 -20.282 1.0 21.52 ? 61 A 6 -ATOM 914 C CA . MET A1 1 61 ? -3.984 11.244 -19.565 1.0 32.03 ? 61 A 6 -ATOM 915 C C . MET A1 1 61 ? -2.826 12.188 -19.872 1.0 55.14 ? 61 A 6 -ATOM 916 O O . MET A1 1 61 ? -2.168 12.694 -18.963 1.0 73.23 ? 61 A 6 -ATOM 917 C CB . MET A1 1 61 ? -3.6 9.81 -19.935 1.0 33.12 ? 61 A 6 -ATOM 918 C CG . MET A1 1 61 ? -3.906 9.454 -21.381 1.0 10.31 ? 61 A 6 -ATOM 919 S SD . MET A1 1 61 ? -2.628 8.424 -22.128 1.0 3.45 ? 61 A 6 -ATOM 920 C CE . MET A1 1 61 ? -1.973 9.542 -23.364 1.0 11.34 ? 61 A 6 -ATOM 921 H H . MET A1 1 61 ? -5.643 10.996 -20.855 1.0 44.35 ? 61 A 6 -ATOM 922 H HA . MET A1 1 61 ? -4.198 11.288 -18.508 1.0 14.21 ? 61 A 6 -ATOM 923 H HB2 . MET A1 1 61 ? -2.541 9.68 -19.771 1.0 14.23 ? 61 A 6 -ATOM 924 H HB3 . MET A1 1 61 ? -4.142 9.129 -19.297 1.0 0.24 ? 61 A 6 -ATOM 925 H HG2 . MET A1 1 61 ? -4.844 8.919 -21.416 1.0 62.14 ? 61 A 6 -ATOM 926 H HG3 . MET A1 1 61 ? -3.993 10.366 -21.951 1.0 32.0 ? 61 A 6 -ATOM 927 H HE1 . MET A1 1 61 ? -1.125 10.073 -22.955 1.0 54.23 ? 61 A 6 -ATOM 928 H HE2 . MET A1 1 61 ? -1.66 8.977 -24.23 1.0 64.31 ? 61 A 6 -ATOM 929 H HE3 . MET A1 1 61 ? -2.737 10.248 -23.652 1.0 24.11 ? 61 A 6 -ATOM 930 N N . SER A1 1 62 ? -2.583 12.421 -21.158 1.0 73.15 ? 62 A 6 -ATOM 931 C CA . SER A1 1 62 ? -1.501 13.301 -21.584 1.0 12.22 ? 62 A 6 -ATOM 932 C C . SER A1 1 62 ? -1.883 14.765 -21.388 1.0 13.52 ? 62 A 6 -ATOM 933 O O . SER A1 1 62 ? -1.032 15.606 -21.097 1.0 42.51 ? 62 A 6 -ATOM 934 C CB . SER A1 1 62 ? -1.155 13.045 -23.052 1.0 62.33 ? 62 A 6 -ATOM 935 O OG . SER A1 1 62 ? -0.508 14.167 -23.627 1.0 14.13 ? 62 A 6 -ATOM 936 H H . SER A1 1 62 ? -3.143 11.988 -21.836 1.0 74.25 ? 62 A 6 -ATOM 937 H HA . SER A1 1 62 ? -0.636 13.082 -20.976 1.0 74.15 ? 62 A 6 -ATOM 938 H HB2 . SER A1 1 62 ? -0.498 12.191 -23.121 1.0 54.41 ? 62 A 6 -ATOM 939 H HB3 . SER A1 1 62 ? -2.063 12.846 -23.604 1.0 23.45 ? 62 A 6 -ATOM 940 H HG . SER A1 1 62 ? -0.977 14.435 -24.421 1.0 1.23 ? 62 A 6 -ATOM 941 N N . ASP A1 1 63 ? -3.167 15.062 -21.55 1.0 34.33 ? 63 A 6 -ATOM 942 C CA . ASP A1 1 63 ? -3.664 16.423 -21.39 1.0 10.21 ? 63 A 6 -ATOM 943 C C . ASP A1 1 63 ? -3.326 16.966 -20.004 1.0 63.54 ? 63 A 6 -ATOM 944 O O . ASP A1 1 63 ? -3.218 18.177 -19.81 1.0 31.33 ? 63 A 6 -ATOM 945 C CB . ASP A1 1 63 ? -5.176 16.467 -21.613 1.0 21.1 ? 63 A 6 -ATOM 946 C CG . ASP A1 1 63 ? -5.673 17.862 -21.937 1.0 12.2 ? 63 A 6 -ATOM 947 O OD1 . ASP A1 1 63 ? -5.635 18.244 -23.125 1.0 53.24 ? 63 A 6 -ATOM 948 O OD2 . ASP A1 1 63 ? -6.1 18.573 -21.003 1.0 3.13 ? 63 A 6 -ATOM 949 H H . ASP A1 1 63 ? -3.797 14.347 -21.782 1.0 14.4 ? 63 A 6 -ATOM 950 H HA . ASP A1 1 63 ? -3.182 17.042 -22.132 1.0 72.42 ? 63 A 6 -ATOM 951 H HB2 . ASP A1 1 63 ? -5.431 15.815 -22.435 1.0 63.34 ? 63 A 6 -ATOM 952 H HB3 . ASP A1 1 63 ? -5.676 16.125 -20.719 1.0 44.51 ? 63 A 6 -ATOM 953 N N . TYR A1 1 64 ? -3.16 16.062 -19.045 1.0 43.15 ? 64 A 6 -ATOM 954 C CA . TYR A1 1 64 ? -2.838 16.45 -17.677 1.0 74.44 ? 64 A 6 -ATOM 955 C C . TYR A1 1 64 ? -4.059 17.036 -16.975 1.0 35.31 ? 64 A 6 -ATOM 956 O O . TYR A1 1 64 ? -3.936 17.722 -15.961 1.0 63.11 ? 64 A 6 -ATOM 957 C CB . TYR A1 1 64 ? -1.694 17.465 -17.668 1.0 41.31 ? 64 A 6 -ATOM 958 C CG . TYR A1 1 64 ? -0.54 17.069 -16.776 1.0 35.31 ? 64 A 6 -ATOM 959 C CD1 . TYR A1 1 64 ? 0.299 16.016 -17.12 1.0 10.21 ? 64 A 6 -ATOM 960 C CD2 . TYR A1 1 64 ? -0.288 17.746 -15.59 1.0 61.0 ? 64 A 6 -ATOM 961 C CE1 . TYR A1 1 64 ? 1.355 15.649 -16.308 1.0 31.32 ? 64 A 6 -ATOM 962 C CE2 . TYR A1 1 64 ? 0.767 17.388 -14.773 1.0 3.01 ? 64 A 6 -ATOM 963 C CZ . TYR A1 1 64 ? 1.585 16.339 -15.136 1.0 35.43 ? 64 A 6 -ATOM 964 O OH . TYR A1 1 64 ? 2.636 15.978 -14.324 1.0 23.32 ? 64 A 6 -ATOM 965 H H . TYR A1 1 64 ? -3.259 15.111 -19.262 1.0 10.22 ? 64 A 6 -ATOM 966 H HA . TYR A1 1 64 ? -2.523 15.563 -17.146 1.0 40.51 ? 64 A 6 -ATOM 967 H HB2 . TYR A1 1 64 ? -1.314 17.577 -18.672 1.0 75.32 ? 64 A 6 -ATOM 968 H HB3 . TYR A1 1 64 ? -2.07 18.417 -17.322 1.0 32.34 ? 64 A 6 -ATOM 969 H HD1 . TYR A1 1 64 ? 0.117 15.477 -18.039 1.0 1.35 ? 64 A 6 -ATOM 970 H HD2 . TYR A1 1 64 ? -0.931 18.567 -15.308 1.0 32.41 ? 64 A 6 -ATOM 971 H HE1 . TYR A1 1 64 ? 1.997 14.828 -16.592 1.0 52.21 ? 64 A 6 -ATOM 972 H HE2 . TYR A1 1 64 ? 0.946 17.927 -13.854 1.0 43.14 ? 64 A 6 -ATOM 973 H HH . TYR A1 1 64 ? 3.066 16.767 -13.988 1.0 23.33 ? 64 A 6 -ATOM 974 N N . ASN A1 1 65 ? -5.238 16.76 -17.523 1.0 61.21 ? 65 A 6 -ATOM 975 C CA . ASN A1 1 65 ? -6.483 17.26 -16.951 1.0 70.22 ? 65 A 6 -ATOM 976 C C . ASN A1 1 65 ? -7.293 16.123 -16.334 1.0 21.44 ? 65 A 6 -ATOM 977 O O . ASN A1 1 65 ? -8.472 16.286 -16.019 1.0 22.24 ? 65 A 6 -ATOM 978 C CB . ASN A1 1 65 ? -7.313 17.969 -18.022 1.0 30.31 ? 65 A 6 -ATOM 979 C CG . ASN A1 1 65 ? -8.123 17.001 -18.862 1.0 75.23 ? 65 A 6 -ATOM 980 O OD1 . ASN A1 1 65 ? -7.601 15.999 -19.352 1.0 74.2 ? 65 A 6 -ATOM 981 N ND2 . ASN A1 1 65 ? -9.407 17.295 -19.031 1.0 12.4 ? 65 A 6 -ATOM 982 H H . ASN A1 1 65 ? -5.272 16.208 -18.332 1.0 72.01 ? 65 A 6 -ATOM 983 H HA . ASN A1 1 65 ? -6.231 17.968 -16.176 1.0 43.44 ? 65 A 6 -ATOM 984 H HB2 . ASN A1 1 65 ? -7.994 18.658 -17.544 1.0 12.24 ? 65 A 6 -ATOM 985 H HB3 . ASN A1 1 65 ? -6.652 18.519 -18.676 1.0 73.02 ? 65 A 6 -ATOM 986 H HD21 . ASN A1 1 65 ? -9.755 18.11 -18.611 1.0 23.44 ? 65 A 6 -ATOM 987 H HD22 . ASN A1 1 65 ? -9.954 16.686 -19.569 1.0 32.24 ? 65 A 6 -ATOM 988 N N . VAL A1 1 66 ? -6.652 14.971 -16.164 1.0 11.4 ? 66 A 6 -ATOM 989 C CA . VAL A1 1 66 ? -7.311 13.807 -15.584 1.0 70.45 ? 66 A 6 -ATOM 990 C C . VAL A1 1 66 ? -6.99 13.677 -14.099 1.0 73.11 ? 66 A 6 -ATOM 991 O O . VAL A1 1 66 ? -6.071 12.954 -13.715 1.0 33.12 ? 66 A 6 -ATOM 992 C CB . VAL A1 1 66 ? -6.896 12.51 -16.304 1.0 40.11 ? 66 A 6 -ATOM 993 C CG1 . VAL A1 1 66 ? -5.382 12.418 -16.408 1.0 32.21 ? 66 A 6 -ATOM 994 C CG2 . VAL A1 1 66 ? -7.464 11.297 -15.583 1.0 25.13 ? 66 A 6 -ATOM 995 H H . VAL A1 1 66 ? -5.712 14.903 -16.435 1.0 25.31 ? 66 A 6 -ATOM 996 H HA . VAL A1 1 66 ? -8.377 13.934 -15.702 1.0 44.24 ? 66 A 6 -ATOM 997 H HB . VAL A1 1 66 ? -7.303 12.532 -17.304 1.0 65.05 ? 66 A 6 -ATOM 998 H HG11 . VAL A1 1 66 ? -5.067 11.406 -16.199 1.0 62.5 ? 66 A 6 -ATOM 999 H HG12 . VAL A1 1 66 ? -5.072 12.694 -17.406 1.0 4.5 ? 66 A 6 -ATOM 1000 H HG13 . VAL A1 1 66 ? -4.93 13.089 -15.692 1.0 12.32 ? 66 A 6 -ATOM 1001 H HG21 . VAL A1 1 66 ? -7.512 10.462 -16.266 1.0 23.4 ? 66 A 6 -ATOM 1002 H HG22 . VAL A1 1 66 ? -6.827 11.044 -14.748 1.0 64.2 ? 66 A 6 -ATOM 1003 H HG23 . VAL A1 1 66 ? -8.456 11.524 -15.222 1.0 74.31 ? 66 A 6 -ATOM 1004 N N . GLN A1 1 67 ? -7.753 14.381 -13.27 1.0 5.43 ? 67 A 6 -ATOM 1005 C CA . GLN A1 1 67 ? -7.549 14.344 -11.827 1.0 15.5 ? 67 A 6 -ATOM 1006 C C . GLN A1 1 67 ? -8.47 13.319 -11.173 1.0 62.54 ? 67 A 6 -ATOM 1007 O O . GLN A1 1 67 ? -9.222 12.621 -11.854 1.0 44.01 ? 67 A 6 -ATOM 1008 C CB . GLN A1 1 67 ? -7.793 15.727 -11.22 1.0 35.11 ? 67 A 6 -ATOM 1009 C CG . GLN A1 1 67 ? -9.2 16.254 -11.454 1.0 11.21 ? 67 A 6 -ATOM 1010 C CD . GLN A1 1 67 ? -9.212 17.687 -11.948 1.0 34.44 ? 67 A 6 -ATOM 1011 O OE1 . GLN A1 1 67 ? -8.545 18.024 -12.926 1.0 41.54 ? 67 A 6 -ATOM 1012 N NE2 . GLN A1 1 67 ? -9.973 18.54 -11.272 1.0 50.51 ? 67 A 6 -ATOM 1013 H H . GLN A1 1 67 ? -8.47 14.939 -13.638 1.0 54.23 ? 67 A 6 -ATOM 1014 H HA . GLN A1 1 67 ? -6.525 14.057 -11.645 1.0 21.13 ? 67 A 6 -ATOM 1015 H HB2 . GLN A1 1 67 ? -7.624 15.675 -10.155 1.0 61.05 ? 67 A 6 -ATOM 1016 H HB3 . GLN A1 1 67 ? -7.094 16.426 -11.654 1.0 21.05 ? 67 A 6 -ATOM 1017 H HG2 . GLN A1 1 67 ? -9.686 15.632 -12.191 1.0 63.24 ? 67 A 6 -ATOM 1018 H HG3 . GLN A1 1 67 ? -9.748 16.204 -10.525 1.0 63.02 ? 67 A 6 -ATOM 1019 H HE21 . GLN A1 1 67 ? -10.476 18.201 -10.502 1.0 0.12 ? 67 A 6 -ATOM 1020 H HE22 . GLN A1 1 67 ? -9.998 19.473 -11.569 1.0 72.41 ? 67 A 6 -ATOM 1021 N N . LYS A1 1 68 ? -8.405 13.233 -9.849 1.0 63.33 ? 68 A 6 -ATOM 1022 C CA . LYS A1 1 68 ? -9.233 12.294 -9.102 1.0 34.0 ? 68 A 6 -ATOM 1023 C C . LYS A1 1 68 ? -10.714 12.532 -9.382 1.0 33.21 ? 68 A 6 -ATOM 1024 O O . LYS A1 1 68 ? -11.518 11.601 -9.348 1.0 33.01 ? 68 A 6 -ATOM 1025 C CB . LYS A1 1 68 ? -8.96 12.423 -7.601 1.0 41.41 ? 68 A 6 -ATOM 1026 C CG . LYS A1 1 68 ? -9.495 11.261 -6.783 1.0 61.44 ? 68 A 6 -ATOM 1027 C CD . LYS A1 1 68 ? -8.737 9.977 -7.077 1.0 43.41 ? 68 A 6 -ATOM 1028 C CE . LYS A1 1 68 ? -7.404 9.938 -6.346 1.0 23.43 ? 68 A 6 -ATOM 1029 N NZ . LYS A1 1 68 ? -7.577 10.02 -4.87 1.0 52.05 ? 68 A 6 -ATOM 1030 H H . LYS A1 1 68 ? -7.786 13.817 -9.362 1.0 75.53 ? 68 A 6 -ATOM 1031 H HA . LYS A1 1 68 ? -8.975 11.296 -9.421 1.0 31.4 ? 68 A 6 -ATOM 1032 H HB2 . LYS A1 1 68 ? -7.893 12.485 -7.446 1.0 51.5 ? 68 A 6 -ATOM 1033 H HB3 . LYS A1 1 68 ? -9.421 13.332 -7.241 1.0 62.4 ? 68 A 6 -ATOM 1034 H HG2 . LYS A1 1 68 ? -9.394 11.494 -5.734 1.0 22.33 ? 68 A 6 -ATOM 1035 H HG3 . LYS A1 1 68 ? -10.539 11.115 -7.022 1.0 45.02 ? 68 A 6 -ATOM 1036 H HD2 . LYS A1 1 68 ? -9.334 9.136 -6.757 1.0 14.2 ? 68 A 6 -ATOM 1037 H HD3 . LYS A1 1 68 ? -8.558 9.91 -8.14 1.0 13.53 ? 68 A 6 -ATOM 1038 H HE2 . LYS A1 1 68 ? -6.902 9.014 -6.59 1.0 43.13 ? 68 A 6 -ATOM 1039 H HE3 . LYS A1 1 68 ? -6.803 10.773 -6.677 1.0 63.42 ? 68 A 6 -ATOM 1040 H HZ1 . LYS A1 1 68 ? -7.661 11.013 -4.574 1.0 1.54 ? 68 A 6 -ATOM 1041 H HZ2 . LYS A1 1 68 ? -6.759 9.594 -4.39 1.0 73.32 ? 68 A 6 -ATOM 1042 H HZ3 . LYS A1 1 68 ? -8.437 9.51 -4.582 1.0 23.44 ? 68 A 6 -ATOM 1043 N N . GLU A1 1 69 ? -11.066 13.783 -9.66 1.0 51.1 ? 69 A 6 -ATOM 1044 C CA . GLU A1 1 69 ? -12.45 14.141 -9.947 1.0 15.41 ? 69 A 6 -ATOM 1045 C C . GLU A1 1 69 ? -12.518 15.305 -10.931 1.0 20.25 ? 69 A 6 -ATOM 1046 O O . GLU A1 1 69 ? -12.65 16.462 -10.532 1.0 55.15 ? 69 A 6 -ATOM 1047 C CB . GLU A1 1 69 ? -13.183 14.507 -8.655 1.0 42.14 ? 69 A 6 -ATOM 1048 C CG . GLU A1 1 69 ? -12.433 15.508 -7.792 1.0 32.44 ? 69 A 6 -ATOM 1049 C CD . GLU A1 1 69 ? -13.361 16.47 -7.074 1.0 60.3 ? 69 A 6 -ATOM 1050 O OE1 . GLU A1 1 69 ? -14.521 16.091 -6.812 1.0 52.11 ? 69 A 6 -ATOM 1051 O OE2 . GLU A1 1 69 ? -12.925 17.601 -6.775 1.0 33.22 ? 69 A 6 -ATOM 1052 H H . GLU A1 1 69 ? -10.379 14.482 -9.672 1.0 51.55 ? 69 A 6 -ATOM 1053 H HA . GLU A1 1 69 ? -12.929 13.282 -10.391 1.0 21.13 ? 69 A 6 -ATOM 1054 H HB2 . GLU A1 1 69 ? -14.145 14.93 -8.908 1.0 70.35 ? 69 A 6 -ATOM 1055 H HB3 . GLU A1 1 69 ? -13.337 13.609 -8.076 1.0 25.14 ? 69 A 6 -ATOM 1056 H HG2 . GLU A1 1 69 ? -11.859 14.969 -7.054 1.0 60.54 ? 69 A 6 -ATOM 1057 H HG3 . GLU A1 1 69 ? -11.765 16.078 -8.421 1.0 2.43 ? 69 A 6 -ATOM 1058 N N . SER A1 1 70 ? -12.427 14.99 -12.219 1.0 51.41 ? 70 A 6 -ATOM 1059 C CA . SER A1 1 70 ? -12.473 16.009 -13.261 1.0 50.24 ? 70 A 6 -ATOM 1060 C C . SER A1 1 70 ? -13.877 16.124 -13.846 1.0 72.1 ? 70 A 6 -ATOM 1061 O O . SER A1 1 70 ? -14.482 15.127 -14.242 1.0 13.02 ? 70 A 6 -ATOM 1062 C CB . SER A1 1 70 ? -11.471 15.682 -14.369 1.0 75.43 ? 70 A 6 -ATOM 1063 O OG . SER A1 1 70 ? -10.676 16.81 -14.687 1.0 45.33 ? 70 A 6 -ATOM 1064 H H . SER A1 1 70 ? -12.323 14.049 -12.474 1.0 42.55 ? 70 A 6 -ATOM 1065 H HA . SER A1 1 70 ? -12.205 16.954 -12.812 1.0 61.25 ? 70 A 6 -ATOM 1066 H HB2 . SER A1 1 70 ? -10.825 14.882 -14.042 1.0 1.23 ? 70 A 6 -ATOM 1067 H HB3 . SER A1 1 70 ? -12.007 15.373 -15.255 1.0 50.33 ? 70 A 6 -ATOM 1068 H HG . SER A1 1 70 ? -11.244 17.561 -14.873 1.0 14.24 ? 70 A 6 -ATOM 1069 N N . THR A1 1 71 ? -14.392 17.349 -13.897 1.0 52.55 ? 71 A 6 -ATOM 1070 C CA . THR A1 1 71 ? -15.725 17.596 -14.433 1.0 43.33 ? 71 A 6 -ATOM 1071 C C . THR A1 1 71 ? -15.664 17.975 -15.908 1.0 63.44 ? 71 A 6 -ATOM 1072 O O . THR A1 1 71 ? -15.064 18.986 -16.275 1.0 13.52 ? 71 A 6 -ATOM 1073 C CB . THR A1 1 71 ? -16.444 18.715 -13.656 1.0 4.41 ? 71 A 6 -ATOM 1074 O OG1 . THR A1 1 71 ? -15.503 19.719 -13.261 1.0 4.41 ? 71 A 6 -ATOM 1075 C CG2 . THR A1 1 71 ? -17.144 18.157 -12.426 1.0 4.35 ? 71 A 6 -ATOM 1076 H H . THR A1 1 71 ? -13.862 18.103 -13.566 1.0 14.04 ? 71 A 6 -ATOM 1077 H HA . THR A1 1 71 ? -16.3 16.687 -14.328 1.0 24.13 ? 71 A 6 -ATOM 1078 H HB . THR A1 1 71 ? -17.186 19.162 -14.303 1.0 70.41 ? 71 A 6 -ATOM 1079 H HG1 . THR A1 1 71 ? -15.832 20.585 -13.515 1.0 53.11 ? 71 A 6 -ATOM 1080 H HG21 . THR A1 1 71 ? -16.585 17.316 -12.044 1.0 12.42 ? 71 A 6 -ATOM 1081 H HG22 . THR A1 1 71 ? -18.14 17.834 -12.694 1.0 75.2 ? 71 A 6 -ATOM 1082 H HG23 . THR A1 1 71 ? -17.206 18.923 -11.668 1.0 31.12 ? 71 A 6 -ATOM 1083 N N . LEU A1 1 72 ? -16.288 17.159 -16.75 1.0 74.32 ? 72 A 6 -ATOM 1084 C CA . LEU A1 1 72 ? -16.305 17.409 -18.187 1.0 62.12 ? 72 A 6 -ATOM 1085 C C . LEU A1 1 72 ? -17.72 17.286 -18.744 1.0 14.1 ? 72 A 6 -ATOM 1086 O O . LEU A1 1 72 ? -18.554 16.565 -18.196 1.0 22.33 ? 72 A 6 -ATOM 1087 C CB . LEU A1 1 72 ? -15.374 16.432 -18.906 1.0 54.24 ? 72 A 6 -ATOM 1088 C CG . LEU A1 1 72 ? -16.02 15.145 -19.42 1.0 12.34 ? 72 A 6 -ATOM 1089 C CD1 . LEU A1 1 72 ? -16.4 15.286 -20.886 1.0 71.53 ? 72 A 6 -ATOM 1090 C CD2 . LEU A1 1 72 ? -15.083 13.962 -19.222 1.0 45.31 ? 72 A 6 -ATOM 1091 H H . LEU A1 1 72 ? -16.749 16.369 -16.398 1.0 40.44 ? 72 A 6 -ATOM 1092 H HA . LEU A1 1 72 ? -15.953 18.417 -18.352 1.0 22.23 ? 72 A 6 -ATOM 1093 H HB2 . LEU A1 1 72 ? -14.944 16.946 -19.752 1.0 24.33 ? 72 A 6 -ATOM 1094 H HB3 . LEU A1 1 72 ? -14.588 16.157 -18.217 1.0 64.44 ? 72 A 6 -ATOM 1095 H HG . LEU A1 1 72 ? -16.924 14.954 -18.858 1.0 60.22 ? 72 A 6 -ATOM 1096 H HD11 . LEU A1 1 72 ? -17.468 15.419 -20.969 1.0 22.12 ? 72 A 6 -ATOM 1097 H HD12 . LEU A1 1 72 ? -16.105 14.396 -21.421 1.0 11.12 ? 72 A 6 -ATOM 1098 H HD13 . LEU A1 1 72 ? -15.895 16.143 -21.307 1.0 74.11 ? 72 A 6 -ATOM 1099 H HD21 . LEU A1 1 72 ? -14.06 14.308 -19.228 1.0 45.11 ? 72 A 6 -ATOM 1100 H HD22 . LEU A1 1 72 ? -15.227 13.251 -20.021 1.0 64.51 ? 72 A 6 -ATOM 1101 H HD23 . LEU A1 1 72 ? -15.297 13.488 -18.275 1.0 15.53 ? 72 A 6 -ATOM 1102 N N . HIS A1 1 73 ? -17.983 17.992 -19.84 1.0 22.1 ? 73 A 6 -ATOM 1103 C CA . HIS A1 1 73 ? -19.296 17.959 -20.474 1.0 43.22 ? 73 A 6 -ATOM 1104 C C . HIS A1 1 73 ? -19.316 16.962 -21.629 1.0 1.12 ? 73 A 6 -ATOM 1105 O O . HIS A1 1 73 ? -18.549 17.087 -22.584 1.0 41.41 ? 73 A 6 -ATOM 1106 C CB . HIS A1 1 73 ? -19.677 19.351 -20.979 1.0 34.11 ? 73 A 6 -ATOM 1107 C CG . HIS A1 1 73 ? -21.121 19.477 -21.354 1.0 25.31 ? 73 A 6 -ATOM 1108 N ND1 . HIS A1 1 73 ? -21.953 18.39 -21.524 1.0 22.31 ? 73 A 6 -ATOM 1109 C CD2 . HIS A1 1 73 ? -21.882 20.572 -21.589 1.0 30.12 ? 73 A 6 -ATOM 1110 C CE1 . HIS A1 1 73 ? -23.162 18.811 -21.85 1.0 74.03 ? 73 A 6 -ATOM 1111 N NE2 . HIS A1 1 73 ? -23.146 20.131 -21.896 1.0 22.32 ? 73 A 6 -ATOM 1112 H H . HIS A1 1 73 ? -17.277 18.547 -20.231 1.0 41.1 ? 73 A 6 -ATOM 1113 H HA . HIS A1 1 73 ? -20.014 17.645 -19.732 1.0 23.25 ? 73 A 6 -ATOM 1114 H HB2 . HIS A1 1 73 ? -19.47 20.076 -20.206 1.0 51.13 ? 73 A 6 -ATOM 1115 H HB3 . HIS A1 1 73 ? -19.085 19.584 -21.852 1.0 64.13 ? 73 A 6 -ATOM 1116 H HD1 . HIS A1 1 73 ? -21.694 17.451 -21.423 1.0 63.31 ? 73 A 6 -ATOM 1117 H HD2 . HIS A1 1 73 ? -21.556 21.601 -21.545 1.0 71.43 ? 73 A 6 -ATOM 1118 H HE1 . HIS A1 1 73 ? -24.018 18.183 -22.045 1.0 3.34 ? 73 A 6 -ATOM 1119 N N . LEU A1 1 74 ? -20.198 15.973 -21.535 1.0 31.4 ? 74 A 6 -ATOM 1120 C CA . LEU A1 1 74 ? -20.319 14.954 -22.572 1.0 41.22 ? 74 A 6 -ATOM 1121 C C . LEU A1 1 74 ? -21.635 15.1 -23.329 1.0 21.0 ? 74 A 6 -ATOM 1122 O O . LEU A1 1 74 ? -22.714 14.957 -22.753 1.0 70.53 ? 74 A 6 -ATOM 1123 C CB . LEU A1 1 74 ? -20.224 13.557 -21.955 1.0 42.32 ? 74 A 6 -ATOM 1124 C CG . LEU A1 1 74 ? -20.696 12.401 -22.837 1.0 13.02 ? 74 A 6 -ATOM 1125 C CD1 . LEU A1 1 74 ? -19.894 12.353 -24.129 1.0 50.12 ? 74 A 6 -ATOM 1126 C CD2 . LEU A1 1 74 ? -20.586 11.08 -22.089 1.0 22.4 ? 74 A 6 -ATOM 1127 H H . LEU A1 1 74 ? -20.783 15.926 -20.751 1.0 53.04 ? 74 A 6 -ATOM 1128 H HA . LEU A1 1 74 ? -19.502 15.089 -23.265 1.0 65.43 ? 74 A 6 -ATOM 1129 H HB2 . LEU A1 1 74 ? -19.19 13.378 -21.701 1.0 22.02 ? 74 A 6 -ATOM 1130 H HB3 . LEU A1 1 74 ? -20.821 13.553 -21.055 1.0 20.31 ? 74 A 6 -ATOM 1131 H HG . LEU A1 1 74 ? -21.735 12.554 -23.096 1.0 34.12 ? 74 A 6 -ATOM 1132 H HD11 . LEU A1 1 74 ? -18.964 12.883 -23.995 1.0 33.01 ? 74 A 6 -ATOM 1133 H HD12 . LEU A1 1 74 ? -20.462 12.816 -24.922 1.0 1.34 ? 74 A 6 -ATOM 1134 H HD13 . LEU A1 1 74 ? -19.689 11.324 -24.387 1.0 63.14 ? 74 A 6 -ATOM 1135 H HD21 . LEU A1 1 74 ? -21.324 10.39 -22.468 1.0 12.32 ? 74 A 6 -ATOM 1136 H HD22 . LEU A1 1 74 ? -20.755 11.249 -21.036 1.0 54.43 ? 74 A 6 -ATOM 1137 H HD23 . LEU A1 1 74 ? -19.598 10.667 -22.233 1.0 14.02 ? 74 A 6 -ATOM 1138 N N . VAL A1 1 75 ? -21.539 15.384 -24.624 1.0 43.5 ? 75 A 6 -ATOM 1139 C CA . VAL A1 1 75 ? -22.722 15.546 -25.461 1.0 52.32 ? 75 A 6 -ATOM 1140 C C . VAL A1 1 75 ? -22.837 14.413 -26.474 1.0 61.15 ? 75 A 6 -ATOM 1141 O O . VAL A1 1 75 ? -21.843 13.994 -27.07 1.0 54.31 ? 75 A 6 -ATOM 1142 C CB . VAL A1 1 75 ? -22.699 16.891 -26.211 1.0 24.5 ? 75 A 6 -ATOM 1143 C CG1 . VAL A1 1 75 ? -22.979 18.04 -25.255 1.0 55.3 ? 75 A 6 -ATOM 1144 C CG2 . VAL A1 1 75 ? -21.365 17.085 -26.915 1.0 64.14 ? 75 A 6 -ATOM 1145 H H . VAL A1 1 75 ? -20.651 15.486 -25.026 1.0 70.11 ? 75 A 6 -ATOM 1146 H HA . VAL A1 1 75 ? -23.59 15.53 -24.818 1.0 60.52 ? 75 A 6 -ATOM 1147 H HB . VAL A1 1 75 ? -23.478 16.876 -26.959 1.0 44.41 ? 75 A 6 -ATOM 1148 H HG11 . VAL A1 1 75 ? -23.653 17.707 -24.479 1.0 31.54 ? 75 A 6 -ATOM 1149 H HG12 . VAL A1 1 75 ? -22.052 18.373 -24.81 1.0 61.34 ? 75 A 6 -ATOM 1150 H HG13 . VAL A1 1 75 ? -23.432 18.857 -25.797 1.0 54.52 ? 75 A 6 -ATOM 1151 H HG21 . VAL A1 1 75 ? -21.216 16.291 -27.631 1.0 5.24 ? 75 A 6 -ATOM 1152 H HG22 . VAL A1 1 75 ? -21.363 18.036 -27.426 1.0 61.35 ? 75 A 6 -ATOM 1153 H HG23 . VAL A1 1 75 ? -20.567 17.066 -26.187 1.0 24.43 ? 75 A 6 -ATOM 1154 N N . LEU A1 1 76 ? -24.056 13.92 -26.667 1.0 35.1 ? 76 A 6 -ATOM 1155 C CA . LEU A1 1 76 ? -24.302 12.835 -27.61 1.0 22.53 ? 76 A 6 -ATOM 1156 C C . LEU A1 1 76 ? -25.355 13.235 -28.638 1.0 2.14 ? 76 A 6 -ATOM 1157 O O . LEU A1 1 76 ? -26.368 13.847 -28.297 1.0 21.5 ? 76 A 6 -ATOM 1158 C CB . LEU A1 1 76 ? -24.752 11.577 -26.864 1.0 73.12 ? 76 A 6 -ATOM 1159 C CG . LEU A1 1 76 ? -24.477 11.553 -25.36 1.0 64.45 ? 76 A 6 -ATOM 1160 C CD1 . LEU A1 1 76 ? -25.622 12.2 -24.598 1.0 24.13 ? 76 A 6 -ATOM 1161 C CD2 . LEU A1 1 76 ? -24.253 10.126 -24.882 1.0 22.03 ? 76 A 6 -ATOM 1162 H H . LEU A1 1 76 ? -24.808 14.294 -26.163 1.0 44.32 ? 76 A 6 -ATOM 1163 H HA . LEU A1 1 76 ? -23.376 12.626 -28.124 1.0 53.04 ? 76 A 6 -ATOM 1164 H HB2 . LEU A1 1 76 ? -25.817 11.472 -27.007 1.0 71.31 ? 76 A 6 -ATOM 1165 H HB3 . LEU A1 1 76 ? -24.246 10.732 -27.308 1.0 62.14 ? 76 A 6 -ATOM 1166 H HG . LEU A1 1 76 ? -23.579 12.12 -25.157 1.0 42.11 ? 76 A 6 -ATOM 1167 H HD11 . LEU A1 1 76 ? -25.617 11.851 -23.576 1.0 12.14 ? 76 A 6 -ATOM 1168 H HD12 . LEU A1 1 76 ? -26.56 11.936 -25.064 1.0 23.21 ? 76 A 6 -ATOM 1169 H HD13 . LEU A1 1 76 ? -25.504 13.274 -24.612 1.0 40.2 ? 76 A 6 -ATOM 1170 H HD21 . LEU A1 1 76 ? -23.884 9.526 -25.7 1.0 53.24 ? 76 A 6 -ATOM 1171 H HD22 . LEU A1 1 76 ? -25.186 9.716 -24.526 1.0 72.02 ? 76 A 6 -ATOM 1172 H HD23 . LEU A1 1 76 ? -23.53 10.125 -24.079 1.0 63.4 ? 76 A 6 -ATOM 1173 N N . ARG A1 1 77 ? -25.111 12.883 -29.896 1.0 50.44 ? 77 A 6 -ATOM 1174 C CA . ARG A1 1 77 ? -26.039 13.205 -30.973 1.0 12.4 ? 77 A 6 -ATOM 1175 C C . ARG A1 1 77 ? -26.915 12.003 -31.313 1.0 10.32 ? 77 A 6 -ATOM 1176 O O . ARG A1 1 77 ? -27.106 11.672 -32.484 1.0 12.43 ? 77 A 6 -ATOM 1177 C CB . ARG A1 1 77 ? -25.272 13.659 -32.217 1.0 55.35 ? 77 A 6 -ATOM 1178 C CG . ARG A1 1 77 ? -24.248 12.646 -32.704 1.0 12.22 ? 77 A 6 -ATOM 1179 C CD . ARG A1 1 77 ? -22.835 13.202 -32.626 1.0 60.22 ? 77 A 6 -ATOM 1180 N NE . ARG A1 1 77 ? -22.505 14.025 -33.786 1.0 64.33 ? 77 A 6 -ATOM 1181 C CZ . ARG A1 1 77 ? -22.124 13.527 -34.957 1.0 13.31 ? 77 A 6 -ATOM 1182 N NH1 . ARG A1 1 77 ? -22.026 12.215 -35.122 1.0 63.3 ? 77 A 6 -ATOM 1183 N NH2 . ARG A1 1 77 ? -21.841 14.341 -35.965 1.0 70.54 ? 77 A 6 -ATOM 1184 H H . ARG A1 1 77 ? -24.286 12.397 -30.105 1.0 2.41 ? 77 A 6 -ATOM 1185 H HA . ARG A1 1 77 ? -26.671 14.013 -30.637 1.0 53.23 ? 77 A 6 -ATOM 1186 H HB2 . ARG A1 1 77 ? -25.977 13.837 -33.015 1.0 41.04 ? 77 A 6 -ATOM 1187 H HB3 . ARG A1 1 77 ? -24.756 14.58 -31.991 1.0 23.23 ? 77 A 6 -ATOM 1188 H HG2 . ARG A1 1 77 ? -24.31 11.761 -32.089 1.0 3.21 ? 77 A 6 -ATOM 1189 H HG3 . ARG A1 1 77 ? -24.469 12.39 -33.73 1.0 45.32 ? 77 A 6 -ATOM 1190 H HD2 . ARG A1 1 77 ? -22.747 13.803 -31.733 1.0 24.22 ? 77 A 6 -ATOM 1191 H HD3 . ARG A1 1 77 ? -22.141 12.376 -32.573 1.0 55.12 ? 77 A 6 -ATOM 1192 H HE . ARG A1 1 77 ? -22.571 14.997 -33.686 1.0 41.44 ? 77 A 6 -ATOM 1193 H HH11 . ARG A1 1 77 ? -22.239 11.599 -34.364 1.0 31.24 ? 77 A 6 -ATOM 1194 H HH12 . ARG A1 1 77 ? -21.74 11.842 -36.005 1.0 72.5 ? 77 A 6 -ATOM 1195 H HH21 . ARG A1 1 77 ? -21.914 15.33 -35.844 1.0 71.34 ? 77 A 6 -ATOM 1196 H HH22 . ARG A1 1 77 ? -21.554 13.965 -36.846 1.0 1.44 ? 77 A 6 -ATOM 1197 N N . LEU A1 1 78 ? -27.445 11.354 -30.283 1.0 31.03 ? 78 A 6 -ATOM 1198 C CA . LEU A1 1 78 ? -28.301 10.188 -30.471 1.0 51.32 ? 78 A 6 -ATOM 1199 C C . LEU A1 1 78 ? -29.544 10.55 -31.278 1.0 14.11 ? 78 A 6 -ATOM 1200 O O . LEU A1 1 78 ? -29.923 9.836 -32.206 1.0 12.31 ? 78 A 6 -ATOM 1201 C CB . LEU A1 1 78 ? -28.71 9.606 -29.117 1.0 42.51 ? 78 A 6 -ATOM 1202 C CG . LEU A1 1 78 ? -27.928 8.378 -28.65 1.0 51.45 ? 78 A 6 -ATOM 1203 C CD1 . LEU A1 1 78 ? -26.575 8.789 -28.09 1.0 14.44 ? 78 A 6 -ATOM 1204 C CD2 . LEU A1 1 78 ? -28.724 7.602 -27.611 1.0 25.32 ? 78 A 6 -ATOM 1205 H H . LEU A1 1 78 ? -27.257 11.665 -29.373 1.0 75.31 ? 78 A 6 -ATOM 1206 H HA . LEU A1 1 78 ? -27.736 9.447 -31.016 1.0 64.2 ? 78 A 6 -ATOM 1207 H HB2 . LEU A1 1 78 ? -28.586 10.379 -28.374 1.0 61.14 ? 78 A 6 -ATOM 1208 H HB3 . LEU A1 1 78 ? -29.754 9.332 -29.177 1.0 62.32 ? 78 A 6 -ATOM 1209 H HG . LEU A1 1 78 ? -27.755 7.727 -29.495 1.0 53.42 ? 78 A 6 -ATOM 1210 H HD11 . LEU A1 1 78 ? -26.698 9.149 -27.08 1.0 3.24 ? 78 A 6 -ATOM 1211 H HD12 . LEU A1 1 78 ? -26.154 9.572 -28.703 1.0 74.14 ? 78 A 6 -ATOM 1212 H HD13 . LEU A1 1 78 ? -25.911 7.936 -28.09 1.0 11.41 ? 78 A 6 -ATOM 1213 H HD21 . LEU A1 1 78 ? -28.907 6.601 -27.972 1.0 65.32 ? 78 A 6 -ATOM 1214 H HD22 . LEU A1 1 78 ? -29.666 8.1 -27.435 1.0 65.43 ? 78 A 6 -ATOM 1215 H HD23 . LEU A1 1 78 ? -28.163 7.556 -26.689 1.0 34.04 ? 78 A 6 -ATOM 1216 N N . ARG A1 1 79 ? -30.172 11.665 -30.919 1.0 44.5 ? 79 A 6 -ATOM 1217 C CA . ARG A1 1 79 ? -31.372 12.122 -31.611 1.0 54.44 ? 79 A 6 -ATOM 1218 C C . ARG A1 1 79 ? -32.49 11.09 -31.5 1.0 43.43 ? 79 A 6 -ATOM 1219 O O . ARG A1 1 79 ? -32.364 10.097 -30.785 1.0 24.23 ? 79 A 6 -ATOM 1220 C CB . ARG A1 1 79 ? -31.063 12.4 -33.083 1.0 53.1 ? 79 A 6 -ATOM 1221 C CG . ARG A1 1 79 ? -31.704 13.673 -33.61 1.0 62.42 ? 79 A 6 -ATOM 1222 C CD . ARG A1 1 79 ? -30.715 14.828 -33.629 1.0 15.2 ? 79 A 6 -ATOM 1223 N NE . ARG A1 1 79 ? -30.531 15.369 -34.973 1.0 22.21 ? 79 A 6 -ATOM 1224 C CZ . ARG A1 1 79 ? -29.679 16.347 -35.261 1.0 43.33 ? 79 A 6 -ATOM 1225 N NH1 . ARG A1 1 79 ? -28.937 16.887 -34.305 1.0 51.34 ? 79 A 6 -ATOM 1226 N NH2 . ARG A1 1 79 ? -29.568 16.785 -36.509 1.0 24.34 ? 79 A 6 -ATOM 1227 H H . ARG A1 1 79 ? -29.822 12.192 -30.171 1.0 30.43 ? 79 A 6 -ATOM 1228 H HA . ARG A1 1 79 ? -31.696 13.038 -31.141 1.0 75.12 ? 79 A 6 -ATOM 1229 H HB2 . ARG A1 1 79 ? -29.993 12.485 -33.205 1.0 72.51 ? 79 A 6 -ATOM 1230 H HB3 . ARG A1 1 79 ? -31.419 11.571 -33.675 1.0 62.3 ? 79 A 6 -ATOM 1231 H HG2 . ARG A1 1 79 ? -32.055 13.498 -34.617 1.0 34.21 ? 79 A 6 -ATOM 1232 H HG3 . ARG A1 1 79 ? -32.538 13.934 -32.976 1.0 51.44 ? 79 A 6 -ATOM 1233 H HD2 . ARG A1 1 79 ? -31.085 15.611 -32.984 1.0 21.42 ? 79 A 6 -ATOM 1234 H HD3 . ARG A1 1 79 ? -29.764 14.476 -33.259 1.0 24.22 ? 79 A 6 -ATOM 1235 H HE . ARG A1 1 79 ? -31.07 14.984 -35.695 1.0 63.2 ? 79 A 6 -ATOM 1236 H HH11 . ARG A1 1 79 ? -29.017 16.558 -33.364 1.0 0.03 ? 79 A 6 -ATOM 1237 H HH12 . ARG A1 1 79 ? -28.295 17.622 -34.525 1.0 54.33 ? 79 A 6 -ATOM 1238 H HH21 . ARG A1 1 79 ? -30.126 16.38 -37.232 1.0 72.3 ? 79 A 6 -ATOM 1239 H HH22 . ARG A1 1 79 ? -28.927 17.521 -36.725 1.0 2.44 ? 79 A 6 -ATOM 1240 N N . GLY A1 1 80 ? -33.585 11.332 -32.214 1.0 11.03 ? 80 A 6 -ATOM 1241 C CA . GLY A1 1 80 ? -34.71 10.416 -32.182 1.0 3.12 ? 80 A 6 -ATOM 1242 C C . GLY A1 1 80 ? -34.695 9.439 -33.341 1.0 52.34 ? 80 A 6 -ATOM 1243 O O . GLY A1 1 80 ? -35.619 9.415 -34.154 1.0 43.44 ? 80 A 6 -ATOM 1244 H H . GLY A1 1 80 ? -33.63 12.14 -32.767 1.0 0.24 ? 80 A 6 -ATOM 1245 H HA2 . GLY A1 1 80 ? -34.681 9.86 -31.257 1.0 71.24 ? 80 A 6 -ATOM 1246 H HA3 . GLY A1 1 80 ? -35.626 10.987 -32.219 1.0 43.14 ? 80 A 6 -ATOM 1247 N N . GLY A1 1 81 ? -33.642 8.631 -33.42 1.0 43.34 ? 81 A 6 -ATOM 1248 C CA . GLY A1 1 81 ? -33.53 7.661 -34.493 1.0 20.2 ? 81 A 6 -ATOM 1249 C C . GLY A1 1 81 ? -32.108 7.516 -34.997 1.0 63.23 ? 81 A 6 -ATOM 1250 O O . GLY A1 1 81 ? -31.664 8.28 -35.854 1.0 30.24 ? 81 A 6 -ATOM 1251 H H . GLY A1 1 81 ? -32.935 8.695 -32.744 1.0 11.33 ? 81 A 6 -ATOM 1252 H HA2 . GLY A1 1 81 ? -33.873 6.702 -34.134 1.0 30.51 ? 81 A 6 -ATOM 1253 H HA3 . GLY A1 1 81 ? -34.16 7.974 -35.313 1.0 55.14 ? 81 A 6 -ATOM 1254 N N . VAL A1 1 82 ? -31.389 6.533 -34.464 1.0 30.52 ? 82 A 6 -ATOM 1255 C CA . VAL A1 1 82 ? -30.009 6.291 -34.864 1.0 4.45 ? 82 A 6 -ATOM 1256 C C . VAL A1 1 82 ? -29.143 7.523 -34.627 1.0 63.52 ? 82 A 6 -ATOM 1257 O O . VAL A1 1 82 ? -28.251 7.513 -33.779 1.0 12.52 ? 82 A 6 -ATOM 1258 C CB . VAL A1 1 82 ? -29.917 5.891 -36.349 1.0 53.54 ? 82 A 6 -ATOM 1259 C CG1 . VAL A1 1 82 ? -28.47 5.646 -36.748 1.0 33.31 ? 82 A 6 -ATOM 1260 C CG2 . VAL A1 1 82 ? -30.769 4.661 -36.622 1.0 1.13 ? 82 A 6 -ATOM 1261 H H . VAL A1 1 82 ? -31.798 5.957 -33.785 1.0 42.11 ? 82 A 6 -ATOM 1262 H HA . VAL A1 1 82 ? -29.627 5.474 -34.269 1.0 65.12 ? 82 A 6 -ATOM 1263 H HB . VAL A1 1 82 ? -30.298 6.707 -36.945 1.0 3.02 ? 82 A 6 -ATOM 1264 H HG11 . VAL A1 1 82 ? -27.877 5.47 -35.862 1.0 71.54 ? 82 A 6 -ATOM 1265 H HG12 . VAL A1 1 82 ? -28.415 4.783 -37.395 1.0 43.52 ? 82 A 6 -ATOM 1266 H HG13 . VAL A1 1 82 ? -28.089 6.512 -37.269 1.0 60.31 ? 82 A 6 -ATOM 1267 H HG21 . VAL A1 1 82 ? -31.806 4.952 -36.705 1.0 51.1 ? 82 A 6 -ATOM 1268 H HG22 . VAL A1 1 82 ? -30.449 4.2 -37.545 1.0 43.42 ? 82 A 6 -ATOM 1269 H HG23 . VAL A1 1 82 ? -30.657 3.956 -35.811 1.0 61.21 ? 82 A 6 -ATOM 1 N N . GLY A1 1 1 ? -16.213 -2.755 -4.123 1.0 13.0 ? 1 A 7 -ATOM 2 C CA . GLY A1 1 1 ? -14.78 -2.971 -4.2 1.0 45.03 ? 1 A 7 -ATOM 3 C C . GLY A1 1 1 ? -14.121 -2.115 -5.264 1.0 65.21 ? 1 A 7 -ATOM 4 O O . GLY A1 1 1 ? -13.649 -2.613 -6.286 1.0 33.34 ? 1 A 7 -ATOM 5 H H1 . GLY A1 1 1 ? -16.621 -2.484 -3.274 1.0 52.4 ? 1 A 7 -ATOM 6 H HA2 . GLY A1 1 1 ? -14.34 -2.738 -3.242 1.0 14.15 ? 1 A 7 -ATOM 7 H HA3 . GLY A1 1 1 ? -14.596 -4.011 -4.426 1.0 34.23 ? 1 A 7 -ATOM 8 N N . PRO A1 1 2 ? -14.084 -0.795 -5.028 1.0 55.32 ? 2 A 7 -ATOM 9 C CA . PRO A1 1 2 ? -13.482 0.159 -5.963 1.0 21.43 ? 2 A 7 -ATOM 10 C C . PRO A1 1 2 ? -11.964 0.029 -6.027 1.0 41.45 ? 2 A 7 -ATOM 11 O O . PRO A1 1 2 ? -11.329 -0.42 -5.072 1.0 62.42 ? 2 A 7 -ATOM 12 C CB . PRO A1 1 2 ? -13.878 1.52 -5.386 1.0 51.45 ? 2 A 7 -ATOM 13 C CG . PRO A1 1 2 ? -14.091 1.268 -3.933 1.0 43.11 ? 2 A 7 -ATOM 14 C CD . PRO A1 1 2 ? -14.628 -0.133 -3.83 1.0 64.14 ? 2 A 7 -ATOM 15 H HA . PRO A1 1 2 ? -13.893 0.054 -6.957 1.0 31.54 ? 2 A 7 -ATOM 16 H HB2 . PRO A1 1 2 ? -13.081 2.231 -5.552 1.0 42.4 ? 2 A 7 -ATOM 17 H HB3 . PRO A1 1 2 ? -14.783 1.868 -5.862 1.0 62.54 ? 2 A 7 -ATOM 18 H HG2 . PRO A1 1 2 ? -13.153 1.35 -3.405 1.0 3.22 ? 2 A 7 -ATOM 19 H HG3 . PRO A1 1 2 ? -14.808 1.973 -3.539 1.0 51.14 ? 2 A 7 -ATOM 20 H HD2 . PRO A1 1 2 ? -14.269 -0.61 -2.93 1.0 11.0 ? 2 A 7 -ATOM 21 H HD3 . PRO A1 1 2 ? -15.708 -0.126 -3.851 1.0 24.12 ? 2 A 7 -ATOM 22 N N . LEU A1 1 3 ? -11.387 0.426 -7.156 1.0 34.12 ? 3 A 7 -ATOM 23 C CA . LEU A1 1 3 ? -9.943 0.354 -7.344 1.0 54.03 ? 3 A 7 -ATOM 24 C C . LEU A1 1 3 ? -9.527 1.044 -8.639 1.0 63.21 ? 3 A 7 -ATOM 25 O O . LEU A1 1 3 ? -10.21 0.941 -9.656 1.0 11.24 ? 3 A 7 -ATOM 26 C CB . LEU A1 1 3 ? -9.482 -1.105 -7.359 1.0 60.12 ? 3 A 7 -ATOM 27 C CG . LEU A1 1 3 ? -8.224 -1.42 -6.55 1.0 64.13 ? 3 A 7 -ATOM 28 C CD1 . LEU A1 1 3 ? -7.058 -0.564 -7.021 1.0 62.25 ? 3 A 7 -ATOM 29 C CD2 . LEU A1 1 3 ? -8.477 -1.208 -5.065 1.0 0.12 ? 3 A 7 -ATOM 30 H H . LEU A1 1 3 ? -11.946 0.775 -7.881 1.0 52.35 ? 3 A 7 -ATOM 31 H HA . LEU A1 1 3 ? -9.475 0.862 -6.513 1.0 43.13 ? 3 A 7 -ATOM 32 H HB2 . LEU A1 1 3 ? -10.286 -1.709 -6.969 1.0 74.24 ? 3 A 7 -ATOM 33 H HB3 . LEU A1 1 3 ? -9.293 -1.38 -8.387 1.0 72.41 ? 3 A 7 -ATOM 34 H HG . LEU A1 1 3 ? -7.957 -2.457 -6.7 1.0 43.5 ? 3 A 7 -ATOM 35 H HD11 . LEU A1 1 3 ? -7.061 0.373 -6.486 1.0 50.45 ? 3 A 7 -ATOM 36 H HD12 . LEU A1 1 3 ? -7.155 -0.375 -8.08 1.0 4.34 ? 3 A 7 -ATOM 37 H HD13 . LEU A1 1 3 ? -6.13 -1.085 -6.832 1.0 54.42 ? 3 A 7 -ATOM 38 H HD21 . LEU A1 1 3 ? -7.534 -1.172 -4.54 1.0 23.33 ? 3 A 7 -ATOM 39 H HD22 . LEU A1 1 3 ? -9.072 -2.024 -4.682 1.0 1.01 ? 3 A 7 -ATOM 40 H HD23 . LEU A1 1 3 ? -9.007 -0.277 -4.92 1.0 75.24 ? 3 A 7 -ATOM 41 N N . GLY A1 1 4 ? -8.399 1.748 -8.593 1.0 4.21 ? 4 A 7 -ATOM 42 C CA . GLY A1 1 4 ? -7.911 2.443 -9.77 1.0 43.34 ? 4 A 7 -ATOM 43 C C . GLY A1 1 4 ? -7.184 3.727 -9.424 1.0 32.24 ? 4 A 7 -ATOM 44 O O . GLY A1 1 4 ? -7.356 4.272 -8.333 1.0 73.31 ? 4 A 7 -ATOM 45 H H . GLY A1 1 4 ? -7.895 1.795 -7.754 1.0 2.13 ? 4 A 7 -ATOM 46 H HA2 . GLY A1 1 4 ? -7.235 1.792 -10.304 1.0 53.5 ? 4 A 7 -ATOM 47 H HA3 . GLY A1 1 4 ? -8.749 2.678 -10.409 1.0 61.41 ? 4 A 7 -ATOM 48 N N . SER A1 1 5 ? -6.367 4.212 -10.354 1.0 14.33 ? 5 A 7 -ATOM 49 C CA . SER A1 1 5 ? -5.607 5.438 -10.14 1.0 12.42 ? 5 A 7 -ATOM 50 C C . SER A1 1 5 ? -6.534 6.598 -9.79 1.0 43.22 ? 5 A 7 -ATOM 51 O O . SER A1 1 5 ? -6.616 7.015 -8.635 1.0 33.52 ? 5 A 7 -ATOM 52 C CB . SER A1 1 5 ? -4.791 5.782 -11.387 1.0 72.02 ? 5 A 7 -ATOM 53 O OG . SER A1 1 5 ? -4.221 7.075 -11.284 1.0 21.35 ? 5 A 7 -ATOM 54 H H . SER A1 1 5 ? -6.272 3.733 -11.203 1.0 31.12 ? 5 A 7 -ATOM 55 H HA . SER A1 1 5 ? -4.933 5.27 -9.313 1.0 12.32 ? 5 A 7 -ATOM 56 H HB2 . SER A1 1 5 ? -3.997 5.06 -11.504 1.0 41.01 ? 5 A 7 -ATOM 57 H HB3 . SER A1 1 5 ? -5.434 5.753 -12.254 1.0 74.13 ? 5 A 7 -ATOM 58 H HG . SER A1 1 5 ? -3.843 7.189 -10.409 1.0 33.45 ? 5 A 7 -ATOM 59 N N . MET A1 1 6 ? -7.231 7.115 -10.796 1.0 14.01 ? 6 A 7 -ATOM 60 C CA . MET A1 1 6 ? -8.154 8.226 -10.595 1.0 54.33 ? 6 A 7 -ATOM 61 C C . MET A1 1 6 ? -9.479 7.967 -11.305 1.0 31.44 ? 6 A 7 -ATOM 62 O O . MET A1 1 6 ? -9.656 6.934 -11.95 1.0 1.11 ? 6 A 7 -ATOM 63 C CB . MET A1 1 6 ? -7.535 9.529 -11.105 1.0 70.21 ? 6 A 7 -ATOM 64 C CG . MET A1 1 6 ? -7.19 9.5 -12.585 1.0 25.05 ? 6 A 7 -ATOM 65 S SD . MET A1 1 6 ? -5.413 9.452 -12.883 1.0 3.44 ? 6 A 7 -ATOM 66 C CE . MET A1 1 6 ? -4.889 10.95 -12.053 1.0 13.21 ? 6 A 7 -ATOM 67 H H . MET A1 1 6 ? -7.124 6.74 -11.695 1.0 2.32 ? 6 A 7 -ATOM 68 H HA . MET A1 1 6 ? -8.338 8.316 -9.535 1.0 5.22 ? 6 A 7 -ATOM 69 H HB2 . MET A1 1 6 ? -8.233 10.335 -10.936 1.0 62.43 ? 6 A 7 -ATOM 70 H HB3 . MET A1 1 6 ? -6.63 9.725 -10.551 1.0 63.34 ? 6 A 7 -ATOM 71 H HG2 . MET A1 1 6 ? -7.639 8.623 -13.029 1.0 33.13 ? 6 A 7 -ATOM 72 H HG3 . MET A1 1 6 ? -7.597 10.385 -13.053 1.0 12.41 ? 6 A 7 -ATOM 73 H HE1 . MET A1 1 6 ? -5.74 11.408 -11.568 1.0 12.23 ? 6 A 7 -ATOM 74 H HE2 . MET A1 1 6 ? -4.14 10.709 -11.313 1.0 52.54 ? 6 A 7 -ATOM 75 H HE3 . MET A1 1 6 ? -4.474 11.636 -12.776 1.0 2.41 ? 6 A 7 -ATOM 76 N N . GLN A1 1 7 ? -10.407 8.911 -11.18 1.0 13.12 ? 7 A 7 -ATOM 77 C CA . GLN A1 1 7 ? -11.716 8.783 -11.809 1.0 13.2 ? 7 A 7 -ATOM 78 C C . GLN A1 1 7 ? -12.157 10.108 -12.422 1.0 42.42 ? 7 A 7 -ATOM 79 O O . GLN A1 1 7 ? -11.703 11.176 -12.009 1.0 71.33 ? 7 A 7 -ATOM 80 C CB . GLN A1 1 7 ? -12.752 8.311 -10.787 1.0 42.01 ? 7 A 7 -ATOM 81 C CG . GLN A1 1 7 ? -12.248 7.201 -9.878 1.0 12.34 ? 7 A 7 -ATOM 82 C CD . GLN A1 1 7 ? -11.771 7.718 -8.535 1.0 44.31 ? 7 A 7 -ATOM 83 O OE1 . GLN A1 1 7 ? -11.653 8.926 -8.328 1.0 33.44 ? 7 A 7 -ATOM 84 N NE2 . GLN A1 1 7 ? -11.493 6.803 -7.613 1.0 73.32 ? 7 A 7 -ATOM 85 H H . GLN A1 1 7 ? -10.206 9.712 -10.652 1.0 71.21 ? 7 A 7 -ATOM 86 H HA . GLN A1 1 7 ? -11.636 8.047 -12.593 1.0 62.03 ? 7 A 7 -ATOM 87 H HB2 . GLN A1 1 7 ? -13.04 9.149 -10.17 1.0 13.25 ? 7 A 7 -ATOM 88 H HB3 . GLN A1 1 7 ? -13.621 7.947 -11.315 1.0 41.42 ? 7 A 7 -ATOM 89 H HG2 . GLN A1 1 7 ? -13.05 6.498 -9.711 1.0 43.33 ? 7 A 7 -ATOM 90 H HG3 . GLN A1 1 7 ? -11.426 6.699 -10.367 1.0 33.21 ? 7 A 7 -ATOM 91 H HE21 . GLN A1 1 7 ? -11.61 5.859 -7.85 1.0 52.01 ? 7 A 7 -ATOM 92 H HE22 . GLN A1 1 7 ? -11.182 7.109 -6.737 1.0 55.43 ? 7 A 7 -ATOM 93 N N . ILE A1 1 8 ? -13.043 10.032 -13.409 1.0 12.12 ? 8 A 7 -ATOM 94 C CA . ILE A1 1 8 ? -13.546 11.225 -14.078 1.0 64.2 ? 8 A 7 -ATOM 95 C C . ILE A1 1 8 ? -15.07 11.233 -14.117 1.0 0.33 ? 8 A 7 -ATOM 96 O O . ILE A1 1 8 ? -15.711 10.191 -13.974 1.0 11.35 ? 8 A 7 -ATOM 97 C CB . ILE A1 1 8 ? -13.007 11.333 -15.517 1.0 65.34 ? 8 A 7 -ATOM 98 C CG1 . ILE A1 1 8 ? -12.09 10.149 -15.831 1.0 72.33 ? 8 A 7 -ATOM 99 C CG2 . ILE A1 1 8 ? -12.266 12.648 -15.708 1.0 55.24 ? 8 A 7 -ATOM 100 C CD1 . ILE A1 1 8 ? -11.677 10.073 -17.284 1.0 11.02 ? 8 A 7 -ATOM 101 H H . ILE A1 1 8 ? -13.367 9.152 -13.693 1.0 43.45 ? 8 A 7 -ATOM 102 H HA . ILE A1 1 8 ? -13.206 12.087 -13.522 1.0 41.41 ? 8 A 7 -ATOM 103 H HB . ILE A1 1 8 ? -13.846 11.319 -16.194 1.0 13.24 ? 8 A 7 -ATOM 104 H HG12 . ILE A1 1 8 ? -11.194 10.227 -15.236 1.0 4.11 ? 8 A 7 -ATOM 105 H HG13 . ILE A1 1 8 ? -12.603 9.231 -15.583 1.0 33.41 ? 8 A 7 -ATOM 106 H HG21 . ILE A1 1 8 ? -11.753 12.908 -14.793 1.0 12.11 ? 8 A 7 -ATOM 107 H HG22 . ILE A1 1 8 ? -11.546 12.543 -16.505 1.0 14.43 ? 8 A 7 -ATOM 108 H HG23 . ILE A1 1 8 ? -12.972 13.426 -15.959 1.0 53.13 ? 8 A 7 -ATOM 109 H HD11 . ILE A1 1 8 ? -12.249 9.303 -17.781 1.0 4.51 ? 8 A 7 -ATOM 110 H HD12 . ILE A1 1 8 ? -11.865 11.024 -17.762 1.0 22.53 ? 8 A 7 -ATOM 111 H HD13 . ILE A1 1 8 ? -10.625 9.839 -17.349 1.0 32.23 ? 8 A 7 -ATOM 112 N N . PHE A1 1 9 ? -15.645 12.415 -14.312 1.0 44.42 ? 9 A 7 -ATOM 113 C CA . PHE A1 1 9 ? -17.095 12.559 -14.37 1.0 45.42 ? 9 A 7 -ATOM 114 C C . PHE A1 1 9 ? -17.542 13.009 -15.758 1.0 62.05 ? 9 A 7 -ATOM 115 O O . PHE A1 1 9 ? -17.065 14.017 -16.28 1.0 33.13 ? 9 A 7 -ATOM 116 C CB . PHE A1 1 9 ? -17.572 13.564 -13.319 1.0 42.3 ? 9 A 7 -ATOM 117 C CG . PHE A1 1 9 ? -17.571 13.014 -11.921 1.0 44.44 ? 9 A 7 -ATOM 118 C CD1 . PHE A1 1 9 ? -16.384 12.864 -11.222 1.0 24.21 ? 9 A 7 -ATOM 119 C CD2 . PHE A1 1 9 ? -18.758 12.648 -11.306 1.0 24.11 ? 9 A 7 -ATOM 120 C CE1 . PHE A1 1 9 ? -16.38 12.359 -9.935 1.0 54.33 ? 9 A 7 -ATOM 121 C CE2 . PHE A1 1 9 ? -18.76 12.143 -10.019 1.0 62.43 ? 9 A 7 -ATOM 122 C CZ . PHE A1 1 9 ? -17.57 11.997 -9.334 1.0 72.21 ? 9 A 7 -ATOM 123 H H . PHE A1 1 9 ? -15.081 13.21 -14.418 1.0 15.35 ? 9 A 7 -ATOM 124 H HA . PHE A1 1 9 ? -17.532 11.596 -14.159 1.0 72.15 ? 9 A 7 -ATOM 125 H HB2 . PHE A1 1 9 ? -16.923 14.427 -13.336 1.0 13.22 ? 9 A 7 -ATOM 126 H HB3 . PHE A1 1 9 ? -18.579 13.871 -13.556 1.0 20.44 ? 9 A 7 -ATOM 127 H HD1 . PHE A1 1 9 ? -15.453 13.146 -11.692 1.0 63.23 ? 9 A 7 -ATOM 128 H HD2 . PHE A1 1 9 ? -19.689 12.76 -11.841 1.0 43.5 ? 9 A 7 -ATOM 129 H HE1 . PHE A1 1 9 ? -15.448 12.246 -9.402 1.0 53.21 ? 9 A 7 -ATOM 130 H HE2 . PHE A1 1 9 ? -19.691 11.86 -9.551 1.0 61.25 ? 9 A 7 -ATOM 131 H HZ . PHE A1 1 9 ? -17.569 11.603 -8.328 1.0 11.33 ? 9 A 7 -ATOM 132 N N . VAL A1 1 10 ? -18.46 12.252 -16.352 1.0 35.51 ? 10 A 7 -ATOM 133 C CA . VAL A1 1 10 ? -18.972 12.572 -17.679 1.0 51.35 ? 10 A 7 -ATOM 134 C C . VAL A1 1 10 ? -20.449 12.942 -17.623 1.0 20.3 ? 10 A 7 -ATOM 135 O O . VAL A1 1 10 ? -21.254 12.244 -17.006 1.0 33.54 ? 10 A 7 -ATOM 136 C CB . VAL A1 1 10 ? -18.786 11.391 -18.651 1.0 1.24 ? 10 A 7 -ATOM 137 C CG1 . VAL A1 1 10 ? -18.466 11.896 -20.05 1.0 43.55 ? 10 A 7 -ATOM 138 C CG2 . VAL A1 1 10 ? -17.696 10.456 -18.15 1.0 70.41 ? 10 A 7 -ATOM 139 H H . VAL A1 1 10 ? -18.801 11.461 -15.885 1.0 13.11 ? 10 A 7 -ATOM 140 H HA . VAL A1 1 10 ? -18.413 13.415 -18.059 1.0 52.2 ? 10 A 7 -ATOM 141 H HB . VAL A1 1 10 ? -19.713 10.839 -18.696 1.0 21.21 ? 10 A 7 -ATOM 142 H HG11 . VAL A1 1 10 ? -17.394 11.971 -20.168 1.0 75.22 ? 10 A 7 -ATOM 143 H HG12 . VAL A1 1 10 ? -18.863 11.208 -20.781 1.0 54.41 ? 10 A 7 -ATOM 144 H HG13 . VAL A1 1 10 ? -18.911 12.87 -20.191 1.0 61.31 ? 10 A 7 -ATOM 145 H HG21 . VAL A1 1 10 ? -16.868 11.036 -17.773 1.0 13.24 ? 10 A 7 -ATOM 146 H HG22 . VAL A1 1 10 ? -18.091 9.835 -17.36 1.0 62.44 ? 10 A 7 -ATOM 147 H HG23 . VAL A1 1 10 ? -17.356 9.831 -18.963 1.0 2.35 ? 10 A 7 -ATOM 148 N N . LYS A1 1 11 ? -20.801 14.047 -18.273 1.0 23.3 ? 11 A 7 -ATOM 149 C CA . LYS A1 1 11 ? -22.183 14.511 -18.301 1.0 10.31 ? 11 A 7 -ATOM 150 C C . LYS A1 1 11 ? -22.799 14.305 -19.68 1.0 22.12 ? 11 A 7 -ATOM 151 O O . LYS A1 1 11 ? -22.4 14.945 -20.653 1.0 63.21 ? 11 A 7 -ATOM 152 C CB . LYS A1 1 11 ? -22.253 15.991 -17.915 1.0 34.41 ? 11 A 7 -ATOM 153 C CG . LYS A1 1 11 ? -23.631 16.603 -18.1 1.0 63.11 ? 11 A 7 -ATOM 154 C CD . LYS A1 1 11 ? -23.564 17.9 -18.888 1.0 3.15 ? 11 A 7 -ATOM 155 C CE . LYS A1 1 11 ? -23.362 17.64 -20.373 1.0 2.52 ? 11 A 7 -ATOM 156 N NZ . LYS A1 1 11 ? -23.796 18.798 -21.202 1.0 51.12 ? 11 A 7 -ATOM 157 H H . LYS A1 1 11 ? -20.115 14.561 -18.747 1.0 4.15 ? 11 A 7 -ATOM 158 H HA . LYS A1 1 11 ? -22.742 13.934 -17.58 1.0 44.21 ? 11 A 7 -ATOM 159 H HB2 . LYS A1 1 11 ? -21.972 16.094 -16.878 1.0 75.01 ? 11 A 7 -ATOM 160 H HB3 . LYS A1 1 11 ? -21.553 16.543 -18.526 1.0 15.43 ? 11 A 7 -ATOM 161 H HG2 . LYS A1 1 11 ? -24.258 15.903 -18.632 1.0 73.24 ? 11 A 7 -ATOM 162 H HG3 . LYS A1 1 11 ? -24.058 16.804 -17.127 1.0 30.03 ? 11 A 7 -ATOM 163 H HD2 . LYS A1 1 11 ? -24.488 18.442 -18.751 1.0 63.51 ? 11 A 7 -ATOM 164 H HD3 . LYS A1 1 11 ? -22.738 18.493 -18.519 1.0 61.22 ? 11 A 7 -ATOM 165 H HE2 . LYS A1 1 11 ? -22.315 17.452 -20.553 1.0 70.24 ? 11 A 7 -ATOM 166 H HE3 . LYS A1 1 11 ? -23.938 16.771 -20.654 1.0 3.13 ? 11 A 7 -ATOM 167 H HZ1 . LYS A1 1 11 ? -23.755 19.674 -20.643 1.0 1.34 ? 11 A 7 -ATOM 168 H HZ2 . LYS A1 1 11 ? -24.772 18.656 -21.532 1.0 61.44 ? 11 A 7 -ATOM 169 H HZ3 . LYS A1 1 11 ? -23.174 18.898 -22.03 1.0 12.11 ? 11 A 7 -ATOM 170 N N . THR A1 1 12 ? -23.777 13.407 -19.759 1.0 60.33 ? 12 A 7 -ATOM 171 C CA . THR A1 1 12 ? -24.449 13.116 -21.019 1.0 63.11 ? 12 A 7 -ATOM 172 C C . THR A1 1 12 ? -25.405 14.239 -21.404 1.0 63.2 ? 12 A 7 -ATOM 173 O O . THR A1 1 12 ? -25.859 15.002 -20.55 1.0 23.14 ? 12 A 7 -ATOM 174 C CB . THR A1 1 12 ? -25.232 11.792 -20.946 1.0 13.53 ? 12 A 7 -ATOM 175 O OG1 . THR A1 1 12 ? -26.378 11.947 -20.102 1.0 44.22 ? 12 A 7 -ATOM 176 C CG2 . THR A1 1 12 ? -24.352 10.671 -20.414 1.0 44.25 ? 12 A 7 -ATOM 177 H H . THR A1 1 12 ? -24.051 12.929 -18.949 1.0 50.31 ? 12 A 7 -ATOM 178 H HA . THR A1 1 12 ? -23.693 13.022 -21.786 1.0 15.31 ? 12 A 7 -ATOM 179 H HB . THR A1 1 12 ? -25.561 11.53 -21.942 1.0 3.11 ? 12 A 7 -ATOM 180 H HG1 . THR A1 1 12 ? -26.092 12.112 -19.2 1.0 54.01 ? 12 A 7 -ATOM 181 H HG21 . THR A1 1 12 ? -23.344 10.804 -20.776 1.0 54.24 ? 12 A 7 -ATOM 182 H HG22 . THR A1 1 12 ? -24.735 9.721 -20.755 1.0 51.32 ? 12 A 7 -ATOM 183 H HG23 . THR A1 1 12 ? -24.353 10.694 -19.334 1.0 74.05 ? 12 A 7 -ATOM 184 N N . LEU A1 1 13 ? -25.709 14.336 -22.694 1.0 74.21 ? 13 A 7 -ATOM 185 C CA . LEU A1 1 13 ? -26.613 15.366 -23.192 1.0 74.52 ? 13 A 7 -ATOM 186 C C . LEU A1 1 13 ? -28.002 15.213 -22.58 1.0 25.21 ? 13 A 7 -ATOM 187 O O . LEU A1 1 13 ? -28.815 16.138 -22.618 1.0 11.35 ? 13 A 7 -ATOM 188 C CB . LEU A1 1 13 ? -26.705 15.297 -24.717 1.0 31.51 ? 13 A 7 -ATOM 189 C CG . LEU A1 1 13 ? -27.244 16.547 -25.414 1.0 30.32 ? 13 A 7 -ATOM 190 C CD1 . LEU A1 1 13 ? -26.255 17.696 -25.289 1.0 44.31 ? 13 A 7 -ATOM 191 C CD2 . LEU A1 1 13 ? -27.542 16.255 -26.877 1.0 64.01 ? 13 A 7 -ATOM 192 H H . LEU A1 1 13 ? -25.316 13.699 -23.327 1.0 42.02 ? 13 A 7 -ATOM 193 H HA . LEU A1 1 13 ? -26.211 16.326 -22.906 1.0 34.1 ? 13 A 7 -ATOM 194 H HB2 . LEU A1 1 13 ? -25.714 15.107 -25.1 1.0 62.11 ? 13 A 7 -ATOM 195 H HB3 . LEU A1 1 13 ? -27.352 14.47 -24.972 1.0 43.21 ? 13 A 7 -ATOM 196 H HG . LEU A1 1 13 ? -28.166 16.848 -24.937 1.0 45.4 ? 13 A 7 -ATOM 197 H HD11 . LEU A1 1 13 ? -25.907 17.98 -26.271 1.0 62.23 ? 13 A 7 -ATOM 198 H HD12 . LEU A1 1 13 ? -25.415 17.384 -24.685 1.0 23.44 ? 13 A 7 -ATOM 199 H HD13 . LEU A1 1 13 ? -26.741 18.54 -24.821 1.0 25.55 ? 13 A 7 -ATOM 200 H HD21 . LEU A1 1 13 ? -28.457 16.752 -27.164 1.0 62.14 ? 13 A 7 -ATOM 201 H HD22 . LEU A1 1 13 ? -27.652 15.19 -27.016 1.0 41.34 ? 13 A 7 -ATOM 202 H HD23 . LEU A1 1 13 ? -26.728 16.616 -27.49 1.0 51.42 ? 13 A 7 -ATOM 203 N N . THR A1 1 14 ? -28.268 14.04 -22.014 1.0 31.41 ? 14 A 7 -ATOM 204 C CA . THR A1 1 14 ? -29.558 13.766 -21.393 1.0 30.33 ? 14 A 7 -ATOM 205 C C . THR A1 1 14 ? -29.6 14.287 -19.961 1.0 22.13 ? 14 A 7 -ATOM 206 O O . THR A1 1 14 ? -30.643 14.254 -19.309 1.0 5.31 ? 14 A 7 -ATOM 207 C CB . THR A1 1 14 ? -29.871 12.258 -21.389 1.0 34.54 ? 14 A 7 -ATOM 208 O OG1 . THR A1 1 14 ? -29.033 11.587 -20.442 1.0 3.22 ? 14 A 7 -ATOM 209 C CG2 . THR A1 1 14 ? -29.663 11.659 -22.772 1.0 34.11 ? 14 A 7 -ATOM 210 H H . THR A1 1 14 ? -27.58 13.343 -22.016 1.0 2.31 ? 14 A 7 -ATOM 211 H HA . THR A1 1 14 ? -30.32 14.269 -21.971 1.0 25.44 ? 14 A 7 -ATOM 212 H HB . THR A1 1 14 ? -30.905 12.121 -21.105 1.0 55.24 ? 14 A 7 -ATOM 213 H HG1 . THR A1 1 14 ? -29.301 10.667 -20.372 1.0 24.42 ? 14 A 7 -ATOM 214 H HG21 . THR A1 1 14 ? -30.246 10.754 -22.863 1.0 1.02 ? 14 A 7 -ATOM 215 H HG22 . THR A1 1 14 ? -28.617 11.428 -22.911 1.0 12.23 ? 14 A 7 -ATOM 216 H HG23 . THR A1 1 14 ? -29.978 12.368 -23.523 1.0 12.42 ? 14 A 7 -ATOM 217 N N . GLY A1 1 15 ? -28.459 14.767 -19.477 1.0 61.2 ? 15 A 7 -ATOM 218 C CA . GLY A1 1 15 ? -28.387 15.288 -18.124 1.0 25.44 ? 15 A 7 -ATOM 219 C C . GLY A1 1 15 ? -28.157 14.199 -17.095 1.0 2.34 ? 15 A 7 -ATOM 220 O O . GLY A1 1 15 ? -28.999 13.966 -16.227 1.0 24.03 ? 15 A 7 -ATOM 221 H H . GLY A1 1 15 ? -27.658 14.767 -20.043 1.0 73.22 ? 15 A 7 -ATOM 222 H HA2 . GLY A1 1 15 ? -27.578 16.0 -18.067 1.0 10.15 ? 15 A 7 -ATOM 223 H HA3 . GLY A1 1 15 ? -29.315 15.792 -17.896 1.0 23.53 ? 15 A 7 -ATOM 224 N N . LYS A1 1 16 ? -27.015 13.527 -17.192 1.0 11.21 ? 16 A 7 -ATOM 225 C CA . LYS A1 1 16 ? -26.675 12.456 -16.263 1.0 34.13 ? 16 A 7 -ATOM 226 C C . LYS A1 1 16 ? -25.181 12.457 -15.954 1.0 15.24 ? 16 A 7 -ATOM 227 O O . LYS A1 1 16 ? -24.349 12.498 -16.86 1.0 50.04 ? 16 A 7 -ATOM 228 C CB . LYS A1 1 16 ? -27.086 11.101 -16.842 1.0 31.42 ? 16 A 7 -ATOM 229 C CG . LYS A1 1 16 ? -27.399 10.057 -15.785 1.0 73.35 ? 16 A 7 -ATOM 230 C CD . LYS A1 1 16 ? -26.156 9.278 -15.385 1.0 50.3 ? 16 A 7 -ATOM 231 C CE . LYS A1 1 16 ? -25.653 8.408 -16.526 1.0 52.44 ? 16 A 7 -ATOM 232 N NZ . LYS A1 1 16 ? -25.985 6.971 -16.316 1.0 2.53 ? 16 A 7 -ATOM 233 H H . LYS A1 1 16 ? -26.384 13.759 -17.906 1.0 52.54 ? 16 A 7 -ATOM 234 H HA . LYS A1 1 16 ? -27.22 12.627 -15.347 1.0 34.34 ? 16 A 7 -ATOM 235 H HB2 . LYS A1 1 16 ? -27.964 11.237 -17.456 1.0 44.24 ? 16 A 7 -ATOM 236 H HB3 . LYS A1 1 16 ? -26.281 10.728 -17.459 1.0 12.13 ? 16 A 7 -ATOM 237 H HG2 . LYS A1 1 16 ? -27.798 10.55 -14.911 1.0 3.41 ? 16 A 7 -ATOM 238 H HG3 . LYS A1 1 16 ? -28.133 9.368 -16.178 1.0 74.14 ? 16 A 7 -ATOM 239 H HD2 . LYS A1 1 16 ? -25.379 9.975 -15.109 1.0 63.23 ? 16 A 7 -ATOM 240 H HD3 . LYS A1 1 16 ? -26.394 8.648 -14.54 1.0 14.51 ? 16 A 7 -ATOM 241 H HE2 . LYS A1 1 16 ? -26.108 8.743 -17.445 1.0 44.12 ? 16 A 7 -ATOM 242 H HE3 . LYS A1 1 16 ? -24.58 8.514 -16.596 1.0 75.31 ? 16 A 7 -ATOM 243 H HZ1 . LYS A1 1 16 ? -26.147 6.504 -17.231 1.0 61.55 ? 16 A 7 -ATOM 244 H HZ2 . LYS A1 1 16 ? -26.845 6.885 -15.738 1.0 23.15 ? 16 A 7 -ATOM 245 H HZ3 . LYS A1 1 16 ? -25.203 6.491 -15.827 1.0 43.23 ? 16 A 7 -ATOM 246 N N . THR A1 1 17 ? -24.847 12.411 -14.668 1.0 33.03 ? 17 A 7 -ATOM 247 C CA . THR A1 1 17 ? -23.454 12.406 -14.239 1.0 61.21 ? 17 A 7 -ATOM 248 C C . THR A1 1 17 ? -22.97 10.988 -13.958 1.0 13.11 ? 17 A 7 -ATOM 249 O O . THR A1 1 17 ? -23.497 10.305 -13.08 1.0 32.24 ? 17 A 7 -ATOM 250 C CB . THR A1 1 17 ? -23.252 13.265 -12.977 1.0 22.54 ? 17 A 7 -ATOM 251 O OG1 . THR A1 1 17 ? -24.483 13.372 -12.254 1.0 24.32 ? 17 A 7 -ATOM 252 C CG2 . THR A1 1 17 ? -22.75 14.654 -13.342 1.0 72.42 ? 17 A 7 -ATOM 253 H H . THR A1 1 17 ? -25.556 12.38 -13.992 1.0 63.53 ? 17 A 7 -ATOM 254 H HA . THR A1 1 17 ? -22.859 12.828 -15.036 1.0 15.15 ? 17 A 7 -ATOM 255 H HB . THR A1 1 17 ? -22.514 12.786 -12.349 1.0 61.22 ? 17 A 7 -ATOM 256 H HG1 . THR A1 1 17 ? -24.305 13.34 -11.311 1.0 54.0 ? 17 A 7 -ATOM 257 H HG21 . THR A1 1 17 ? -23.268 15.391 -12.747 1.0 31.34 ? 17 A 7 -ATOM 258 H HG22 . THR A1 1 17 ? -22.939 14.841 -14.389 1.0 12.24 ? 17 A 7 -ATOM 259 H HG23 . THR A1 1 17 ? -21.69 14.716 -13.15 1.0 74.01 ? 17 A 7 -ATOM 260 N N . ILE A1 1 18 ? -21.964 10.552 -14.709 1.0 21.15 ? 18 A 7 -ATOM 261 C CA . ILE A1 1 18 ? -21.409 9.215 -14.539 1.0 42.23 ? 18 A 7 -ATOM 262 C C . ILE A1 1 18 ? -19.939 9.278 -14.136 1.0 2.02 ? 18 A 7 -ATOM 263 O O . ILE A1 1 18 ? -19.178 10.099 -14.648 1.0 34.24 ? 18 A 7 -ATOM 264 C CB . ILE A1 1 18 ? -21.542 8.382 -15.827 1.0 20.13 ? 18 A 7 -ATOM 265 C CG1 . ILE A1 1 18 ? -20.646 7.144 -15.754 1.0 0.43 ? 18 A 7 -ATOM 266 C CG2 . ILE A1 1 18 ? -21.189 9.226 -17.042 1.0 34.34 ? 18 A 7 -ATOM 267 C CD1 . ILE A1 1 18 ? -20.909 6.142 -16.856 1.0 41.12 ? 18 A 7 -ATOM 268 H H . ILE A1 1 18 ? -21.587 11.143 -15.393 1.0 72.35 ? 18 A 7 -ATOM 269 H HA . ILE A1 1 18 ? -21.965 8.721 -13.755 1.0 33.1 ? 18 A 7 -ATOM 270 H HB . ILE A1 1 18 ? -22.57 8.068 -15.922 1.0 55.23 ? 18 A 7 -ATOM 271 H HG12 . ILE A1 1 18 ? -19.614 7.449 -15.823 1.0 35.45 ? 18 A 7 -ATOM 272 H HG13 . ILE A1 1 18 ? -20.807 6.647 -14.808 1.0 15.51 ? 18 A 7 -ATOM 273 H HG21 . ILE A1 1 18 ? -21.878 10.054 -17.117 1.0 31.24 ? 18 A 7 -ATOM 274 H HG22 . ILE A1 1 18 ? -20.184 9.604 -16.938 1.0 60.32 ? 18 A 7 -ATOM 275 H HG23 . ILE A1 1 18 ? -21.256 8.62 -17.934 1.0 71.44 ? 18 A 7 -ATOM 276 H HD11 . ILE A1 1 18 ? -21.303 6.654 -17.722 1.0 32.31 ? 18 A 7 -ATOM 277 H HD12 . ILE A1 1 18 ? -19.986 5.647 -17.121 1.0 60.24 ? 18 A 7 -ATOM 278 H HD13 . ILE A1 1 18 ? -21.625 5.41 -16.515 1.0 25.35 ? 18 A 7 -ATOM 279 N N . THR A1 1 19 ? -19.545 8.403 -13.216 1.0 42.32 ? 19 A 7 -ATOM 280 C CA . THR A1 1 19 ? -18.167 8.358 -12.745 1.0 41.24 ? 19 A 7 -ATOM 281 C C . THR A1 1 19 ? -17.459 7.1 -13.236 1.0 70.21 ? 19 A 7 -ATOM 282 O O . THR A1 1 19 ? -18.036 6.013 -13.238 1.0 44.42 ? 19 A 7 -ATOM 283 C CB . THR A1 1 19 ? -18.097 8.406 -11.207 1.0 2.4 ? 19 A 7 -ATOM 284 O OG1 . THR A1 1 19 ? -19.204 9.152 -10.689 1.0 22.32 ? 19 A 7 -ATOM 285 C CG2 . THR A1 1 19 ? -16.792 9.036 -10.744 1.0 13.14 ? 19 A 7 -ATOM 286 H H . THR A1 1 19 ? -20.199 7.774 -12.846 1.0 1.15 ? 19 A 7 -ATOM 287 H HA . THR A1 1 19 ? -17.652 9.225 -13.135 1.0 65.43 ? 19 A 7 -ATOM 288 H HB . THR A1 1 19 ? -18.145 7.395 -10.828 1.0 44.24 ? 19 A 7 -ATOM 289 H HG1 . THR A1 1 19 ? -19.192 9.118 -9.729 1.0 60.25 ? 19 A 7 -ATOM 290 H HG21 . THR A1 1 19 ? -15.979 8.347 -10.913 1.0 73.33 ? 19 A 7 -ATOM 291 H HG22 . THR A1 1 19 ? -16.857 9.264 -9.69 1.0 23.45 ? 19 A 7 -ATOM 292 H HG23 . THR A1 1 19 ? -16.615 9.946 -11.299 1.0 51.03 ? 19 A 7 -ATOM 293 N N . ILE A1 1 20 ? -16.206 7.256 -13.65 1.0 2.13 ? 20 A 7 -ATOM 294 C CA . ILE A1 1 20 ? -15.419 6.132 -14.142 1.0 23.24 ? 20 A 7 -ATOM 295 C C . ILE A1 1 20 ? -13.962 6.25 -13.71 1.0 21.51 ? 20 A 7 -ATOM 296 O O . ILE A1 1 20 ? -13.343 7.304 -13.859 1.0 3.54 ? 20 A 7 -ATOM 297 C CB . ILE A1 1 20 ? -15.481 6.029 -15.677 1.0 55.55 ? 20 A 7 -ATOM 298 C CG1 . ILE A1 1 20 ? -15.547 7.425 -16.301 1.0 1.5 ? 20 A 7 -ATOM 299 C CG2 . ILE A1 1 20 ? -16.68 5.195 -16.104 1.0 1.32 ? 20 A 7 -ATOM 300 C CD1 . ILE A1 1 20 ? -14.872 7.516 -17.651 1.0 2.4 ? 20 A 7 -ATOM 301 H H . ILE A1 1 20 ? -15.801 8.148 -13.624 1.0 32.52 ? 20 A 7 -ATOM 302 H HA . ILE A1 1 20 ? -15.835 5.226 -13.723 1.0 40.32 ? 20 A 7 -ATOM 303 H HB . ILE A1 1 20 ? -14.587 5.532 -16.019 1.0 75.22 ? 20 A 7 -ATOM 304 H HG12 . ILE A1 1 20 ? -16.58 7.708 -16.427 1.0 4.24 ? 20 A 7 -ATOM 305 H HG13 . ILE A1 1 20 ? -15.064 8.13 -15.639 1.0 20.02 ? 20 A 7 -ATOM 306 H HG21 . ILE A1 1 20 ? -17.565 5.815 -16.113 1.0 41.11 ? 20 A 7 -ATOM 307 H HG22 . ILE A1 1 20 ? -16.508 4.8 -17.094 1.0 51.34 ? 20 A 7 -ATOM 308 H HG23 . ILE A1 1 20 ? -16.818 4.381 -15.41 1.0 74.34 ? 20 A 7 -ATOM 309 H HD11 . ILE A1 1 20 ? -13.803 7.591 -17.515 1.0 44.23 ? 20 A 7 -ATOM 310 H HD12 . ILE A1 1 20 ? -15.098 6.631 -18.228 1.0 43.31 ? 20 A 7 -ATOM 311 H HD13 . ILE A1 1 20 ? -15.229 8.389 -18.175 1.0 23.14 ? 20 A 7 -ATOM 312 N N . ASP A1 1 21 ? -13.419 5.162 -13.175 1.0 44.41 ? 21 A 7 -ATOM 313 C CA . ASP A1 1 21 ? -12.032 5.142 -12.724 1.0 13.43 ? 21 A 7 -ATOM 314 C C . ASP A1 1 21 ? -11.087 4.845 -13.884 1.0 74.52 ? 21 A 7 -ATOM 315 O O . ASP A1 1 21 ? -11.178 3.793 -14.518 1.0 3.25 ? 21 A 7 -ATOM 316 C CB . ASP A1 1 21 ? -11.847 4.1 -11.62 1.0 40.32 ? 21 A 7 -ATOM 317 C CG . ASP A1 1 21 ? -12.287 2.715 -12.051 1.0 70.32 ? 21 A 7 -ATOM 318 O OD1 . ASP A1 1 21 ? -13.481 2.392 -11.879 1.0 34.41 ? 21 A 7 -ATOM 319 O OD2 . ASP A1 1 21 ? -11.438 1.954 -12.56 1.0 4.34 ? 21 A 7 -ATOM 320 H H . ASP A1 1 21 ? -13.963 4.352 -13.083 1.0 61.24 ? 21 A 7 -ATOM 321 H HA . ASP A1 1 21 ? -11.798 6.119 -12.328 1.0 0.1 ? 21 A 7 -ATOM 322 H HB2 . ASP A1 1 21 ? -10.803 4.057 -11.345 1.0 73.15 ? 21 A 7 -ATOM 323 H HB3 . ASP A1 1 21 ? -12.43 4.392 -10.758 1.0 61.23 ? 21 A 7 -ATOM 324 N N . VAL A1 1 22 ? -10.181 5.778 -14.157 1.0 30.34 ? 22 A 7 -ATOM 325 C CA . VAL A1 1 22 ? -9.219 5.616 -15.241 1.0 1.34 ? 22 A 7 -ATOM 326 C C . VAL A1 1 22 ? -7.795 5.848 -14.751 1.0 61.2 ? 22 A 7 -ATOM 327 O O . VAL A1 1 22 ? -7.58 6.435 -13.69 1.0 34.03 ? 22 A 7 -ATOM 328 C CB . VAL A1 1 22 ? -9.514 6.584 -16.403 1.0 60.13 ? 22 A 7 -ATOM 329 C CG1 . VAL A1 1 22 ? -10.954 7.07 -16.34 1.0 14.0 ? 22 A 7 -ATOM 330 C CG2 . VAL A1 1 22 ? -8.545 7.756 -16.378 1.0 61.12 ? 22 A 7 -ATOM 331 H H . VAL A1 1 22 ? -10.158 6.595 -13.616 1.0 71.0 ? 22 A 7 -ATOM 332 H HA . VAL A1 1 22 ? -9.302 4.605 -15.613 1.0 41.13 ? 22 A 7 -ATOM 333 H HB . VAL A1 1 22 ? -9.378 6.05 -17.332 1.0 23.42 ? 22 A 7 -ATOM 334 H HG11 . VAL A1 1 22 ? -11.055 7.791 -15.542 1.0 3.13 ? 22 A 7 -ATOM 335 H HG12 . VAL A1 1 22 ? -11.22 7.532 -17.279 1.0 11.12 ? 22 A 7 -ATOM 336 H HG13 . VAL A1 1 22 ? -11.609 6.232 -16.152 1.0 2.3 ? 22 A 7 -ATOM 337 H HG21 . VAL A1 1 22 ? -8.494 8.161 -15.379 1.0 43.3 ? 22 A 7 -ATOM 338 H HG22 . VAL A1 1 22 ? -7.565 7.418 -16.681 1.0 71.52 ? 22 A 7 -ATOM 339 H HG23 . VAL A1 1 22 ? -8.888 8.521 -17.059 1.0 24.41 ? 22 A 7 -ATOM 340 N N . ASP A1 1 23 ? -6.824 5.383 -15.53 1.0 73.14 ? 23 A 7 -ATOM 341 C CA . ASP A1 1 23 ? -5.418 5.541 -15.176 1.0 0.33 ? 23 A 7 -ATOM 342 C C . ASP A1 1 23 ? -4.685 6.376 -16.221 1.0 62.12 ? 23 A 7 -ATOM 343 O O . ASP A1 1 23 ? -5.157 6.533 -17.347 1.0 35.34 ? 23 A 7 -ATOM 344 C CB . ASP A1 1 23 ? -4.748 4.172 -15.037 1.0 24.44 ? 23 A 7 -ATOM 345 C CG . ASP A1 1 23 ? -3.698 4.15 -13.944 1.0 11.25 ? 23 A 7 -ATOM 346 O OD1 . ASP A1 1 23 ? -2.806 5.024 -13.961 1.0 71.52 ? 23 A 7 -ATOM 347 O OD2 . ASP A1 1 23 ? -3.767 3.258 -13.072 1.0 54.12 ? 23 A 7 -ATOM 348 H H . ASP A1 1 23 ? -7.059 4.923 -16.363 1.0 71.31 ? 23 A 7 -ATOM 349 H HA . ASP A1 1 23 ? -5.37 6.052 -14.226 1.0 62.03 ? 23 A 7 -ATOM 350 H HB2 . ASP A1 1 23 ? -5.5 3.433 -14.803 1.0 75.32 ? 23 A 7 -ATOM 351 H HB3 . ASP A1 1 23 ? -4.275 3.914 -15.973 1.0 32.1 ? 23 A 7 -ATOM 352 N N . HIS A1 1 24 ? -3.529 6.91 -15.839 1.0 3.42 ? 24 A 7 -ATOM 353 C CA . HIS A1 1 24 ? -2.731 7.731 -16.744 1.0 64.1 ? 24 A 7 -ATOM 354 C C . HIS A1 1 24 ? -2.337 6.941 -17.988 1.0 13.22 ? 24 A 7 -ATOM 355 O O . HIS A1 1 24 ? -1.948 7.518 -19.003 1.0 40.32 ? 24 A 7 -ATOM 356 C CB . HIS A1 1 24 ? -1.478 8.24 -16.031 1.0 43.52 ? 24 A 7 -ATOM 357 C CG . HIS A1 1 24 ? -0.655 7.152 -15.415 1.0 63.23 ? 24 A 7 -ATOM 358 N ND1 . HIS A1 1 24 ? -0.431 7.054 -14.057 1.0 33.23 ? 24 A 7 -ATOM 359 C CD2 . HIS A1 1 24 ? -0.001 6.109 -15.978 1.0 70.35 ? 24 A 7 -ATOM 360 C CE1 . HIS A1 1 24 ? 0.326 6.0 -13.813 1.0 52.22 ? 24 A 7 -ATOM 361 N NE2 . HIS A1 1 24 ? 0.6 5.408 -14.961 1.0 51.1 ? 24 A 7 -ATOM 362 H H . HIS A1 1 24 ? -3.206 6.749 -14.929 1.0 35.01 ? 24 A 7 -ATOM 363 H HA . HIS A1 1 24 ? -3.332 8.575 -17.044 1.0 52.33 ? 24 A 7 -ATOM 364 H HB2 . HIS A1 1 24 ? -0.855 8.764 -16.742 1.0 74.33 ? 24 A 7 -ATOM 365 H HB3 . HIS A1 1 24 ? -1.77 8.922 -15.246 1.0 2.24 ? 24 A 7 -ATOM 366 H HD1 . HIS A1 1 24 ? -0.774 7.668 -13.375 1.0 61.24 ? 24 A 7 -ATOM 367 H HD2 . HIS A1 1 24 ? 0.04 5.871 -17.032 1.0 14.35 ? 24 A 7 -ATOM 368 H HE1 . HIS A1 1 24 ? 0.663 5.675 -12.84 1.0 73.24 ? 24 A 7 -ATOM 369 N N . ALA A1 1 25 ? -2.441 5.619 -17.902 1.0 63.43 ? 25 A 7 -ATOM 370 C CA . ALA A1 1 25 ? -2.097 4.751 -19.022 1.0 43.32 ? 25 A 7 -ATOM 371 C C . ALA A1 1 25 ? -3.311 4.491 -19.908 1.0 33.54 ? 25 A 7 -ATOM 372 O O . ALA A1 1 25 ? -3.249 3.691 -20.841 1.0 12.23 ? 25 A 7 -ATOM 373 C CB . ALA A1 1 25 ? -1.521 3.438 -18.514 1.0 51.34 ? 25 A 7 -ATOM 374 H H . ALA A1 1 25 ? -2.757 5.218 -17.066 1.0 55.41 ? 25 A 7 -ATOM 375 H HA . ALA A1 1 25 ? -1.336 5.247 -19.607 1.0 23.12 ? 25 A 7 -ATOM 376 H HB1 . ALA A1 1 25 ? -1.343 2.776 -19.349 1.0 42.21 ? 25 A 7 -ATOM 377 H HB2 . ALA A1 1 25 ? -0.591 3.628 -18.0 1.0 3.14 ? 25 A 7 -ATOM 378 H HB3 . ALA A1 1 25 ? -2.221 2.977 -17.833 1.0 44.44 ? 25 A 7 -ATOM 379 N N . ASP A1 1 26 ? -4.412 5.171 -19.609 1.0 53.31 ? 26 A 7 -ATOM 380 C CA . ASP A1 1 26 ? -5.64 5.014 -20.379 1.0 71.32 ? 26 A 7 -ATOM 381 C C . ASP A1 1 26 ? -5.973 6.295 -21.138 1.0 31.24 ? 26 A 7 -ATOM 382 O O . ASP A1 1 26 ? -6.165 7.353 -20.539 1.0 53.43 ? 26 A 7 -ATOM 383 C CB . ASP A1 1 26 ? -6.801 4.637 -19.457 1.0 21.1 ? 26 A 7 -ATOM 384 C CG . ASP A1 1 26 ? -6.58 3.307 -18.763 1.0 73.54 ? 26 A 7 -ATOM 385 O OD1 . ASP A1 1 26 ? -6.587 2.268 -19.455 1.0 73.22 ? 26 A 7 -ATOM 386 O OD2 . ASP A1 1 26 ? -6.4 3.305 -17.527 1.0 2.02 ? 26 A 7 -ATOM 387 H H . ASP A1 1 26 ? -4.398 5.795 -18.853 1.0 73.33 ? 26 A 7 -ATOM 388 H HA . ASP A1 1 26 ? -5.485 4.218 -21.092 1.0 35.3 ? 26 A 7 -ATOM 389 H HB2 . ASP A1 1 26 ? -6.915 5.401 -18.702 1.0 71.15 ? 26 A 7 -ATOM 390 H HB3 . ASP A1 1 26 ? -7.708 4.572 -20.039 1.0 51.4 ? 26 A 7 -ATOM 391 N N . THR A1 1 27 ? -6.039 6.192 -22.462 1.0 11.22 ? 27 A 7 -ATOM 392 C CA . THR A1 1 27 ? -6.347 7.341 -23.304 1.0 12.11 ? 27 A 7 -ATOM 393 C C . THR A1 1 27 ? -7.85 7.579 -23.381 1.0 24.55 ? 27 A 7 -ATOM 394 O O . THR A1 1 27 ? -8.645 6.744 -22.949 1.0 14.34 ? 27 A 7 -ATOM 395 C CB . THR A1 1 27 ? -5.793 7.158 -24.729 1.0 24.42 ? 27 A 7 -ATOM 396 O OG1 . THR A1 1 27 ? -5.862 5.778 -25.108 1.0 51.41 ? 27 A 7 -ATOM 397 C CG2 . THR A1 1 27 ? -4.354 7.642 -24.818 1.0 72.22 ? 27 A 7 -ATOM 398 H H . THR A1 1 27 ? -5.877 5.321 -22.881 1.0 1.33 ? 27 A 7 -ATOM 399 H HA . THR A1 1 27 ? -5.876 8.21 -22.866 1.0 54.42 ? 27 A 7 -ATOM 400 H HB . THR A1 1 27 ? -6.396 7.74 -25.411 1.0 51.23 ? 27 A 7 -ATOM 401 H HG1 . THR A1 1 27 ? -5.909 5.71 -26.064 1.0 23.44 ? 27 A 7 -ATOM 402 H HG21 . THR A1 1 27 ? -3.995 7.52 -25.829 1.0 20.21 ? 27 A 7 -ATOM 403 H HG22 . THR A1 1 27 ? -3.738 7.064 -24.145 1.0 40.31 ? 27 A 7 -ATOM 404 H HG23 . THR A1 1 27 ? -4.308 8.685 -24.542 1.0 53.14 ? 27 A 7 -ATOM 405 N N . VAL A1 1 28 ? -8.236 8.725 -23.935 1.0 70.04 ? 28 A 7 -ATOM 406 C CA . VAL A1 1 28 ? -9.645 9.072 -24.071 1.0 40.12 ? 28 A 7 -ATOM 407 C C . VAL A1 1 28 ? -10.423 7.954 -24.755 1.0 43.3 ? 28 A 7 -ATOM 408 O O . VAL A1 1 28 ? -11.491 7.553 -24.293 1.0 51.44 ? 28 A 7 -ATOM 409 C CB . VAL A1 1 28 ? -9.827 10.374 -24.874 1.0 70.14 ? 28 A 7 -ATOM 410 C CG1 . VAL A1 1 28 ? -11.221 10.944 -24.657 1.0 13.41 ? 28 A 7 -ATOM 411 C CG2 . VAL A1 1 28 ? -8.761 11.389 -24.49 1.0 73.55 ? 28 A 7 -ATOM 412 H H . VAL A1 1 28 ? -7.556 9.35 -24.261 1.0 50.23 ? 28 A 7 -ATOM 413 H HA . VAL A1 1 28 ? -10.049 9.225 -23.081 1.0 62.42 ? 28 A 7 -ATOM 414 H HB . VAL A1 1 28 ? -9.715 10.145 -25.923 1.0 52.41 ? 28 A 7 -ATOM 415 H HG11 . VAL A1 1 28 ? -11.437 11.669 -25.429 1.0 72.32 ? 28 A 7 -ATOM 416 H HG12 . VAL A1 1 28 ? -11.947 10.146 -24.697 1.0 75.12 ? 28 A 7 -ATOM 417 H HG13 . VAL A1 1 28 ? -11.267 11.425 -23.691 1.0 43.12 ? 28 A 7 -ATOM 418 H HG21 . VAL A1 1 28 ? -8.615 11.372 -23.42 1.0 22.23 ? 28 A 7 -ATOM 419 H HG22 . VAL A1 1 28 ? -7.834 11.141 -24.985 1.0 21.24 ? 28 A 7 -ATOM 420 H HG23 . VAL A1 1 28 ? -9.078 12.377 -24.793 1.0 51.43 ? 28 A 7 -ATOM 421 N N . GLY A1 1 29 ? -9.88 7.452 -25.86 1.0 51.02 ? 29 A 7 -ATOM 422 C CA . GLY A1 1 29 ? -10.537 6.384 -26.591 1.0 24.21 ? 29 A 7 -ATOM 423 C C . GLY A1 1 29 ? -11.019 5.271 -25.681 1.0 62.32 ? 29 A 7 -ATOM 424 O O . GLY A1 1 29 ? -12.18 4.866 -25.747 1.0 1.41 ? 29 A 7 -ATOM 425 H H . GLY A1 1 29 ? -9.027 7.81 -26.182 1.0 25.44 ? 29 A 7 -ATOM 426 H HA2 . GLY A1 1 29 ? -11.383 6.793 -27.122 1.0 33.14 ? 29 A 7 -ATOM 427 H HA3 . GLY A1 1 29 ? -9.84 5.971 -27.306 1.0 61.11 ? 29 A 7 -ATOM 428 N N . ALA A1 1 30 ? -10.127 4.775 -24.831 1.0 0.3 ? 30 A 7 -ATOM 429 C CA . ALA A1 1 30 ? -10.468 3.703 -23.904 1.0 24.42 ? 30 A 7 -ATOM 430 C C . ALA A1 1 30 ? -11.585 4.13 -22.958 1.0 23.15 ? 30 A 7 -ATOM 431 O O . ALA A1 1 30 ? -12.441 3.326 -22.588 1.0 23.32 ? 30 A 7 -ATOM 432 C CB . ALA A1 1 30 ? -9.239 3.276 -23.115 1.0 4.23 ? 30 A 7 -ATOM 433 H H . ALA A1 1 30 ? -9.217 5.139 -24.826 1.0 13.0 ? 30 A 7 -ATOM 434 H HA . ALA A1 1 30 ? -10.806 2.855 -24.484 1.0 42.35 ? 30 A 7 -ATOM 435 H HB1 . ALA A1 1 30 ? -9.51 2.488 -22.428 1.0 24.3 ? 30 A 7 -ATOM 436 H HB2 . ALA A1 1 30 ? -8.482 2.916 -23.796 1.0 15.25 ? 30 A 7 -ATOM 437 H HB3 . ALA A1 1 30 ? -8.855 4.12 -22.563 1.0 54.13 ? 30 A 7 -ATOM 438 N N . VAL A1 1 31 ? -11.57 5.4 -22.568 1.0 44.02 ? 31 A 7 -ATOM 439 C CA . VAL A1 1 31 ? -12.582 5.935 -21.664 1.0 44.43 ? 31 A 7 -ATOM 440 C C . VAL A1 1 31 ? -13.962 5.912 -22.31 1.0 22.33 ? 31 A 7 -ATOM 441 O O . VAL A1 1 31 ? -14.945 5.511 -21.686 1.0 41.34 ? 31 A 7 -ATOM 442 C CB . VAL A1 1 31 ? -12.25 7.378 -21.24 1.0 42.01 ? 31 A 7 -ATOM 443 C CG1 . VAL A1 1 31 ? -13.378 7.962 -20.404 1.0 61.22 ? 31 A 7 -ATOM 444 C CG2 . VAL A1 1 31 ? -10.934 7.419 -20.478 1.0 34.2 ? 31 A 7 -ATOM 445 H H . VAL A1 1 31 ? -10.862 5.993 -22.896 1.0 33.11 ? 31 A 7 -ATOM 446 H HA . VAL A1 1 31 ? -12.598 5.316 -20.778 1.0 53.53 ? 31 A 7 -ATOM 447 H HB . VAL A1 1 31 ? -12.144 7.978 -22.131 1.0 34.14 ? 31 A 7 -ATOM 448 H HG11 . VAL A1 1 31 ? -12.972 8.386 -19.498 1.0 24.43 ? 31 A 7 -ATOM 449 H HG12 . VAL A1 1 31 ? -13.884 8.731 -20.968 1.0 62.24 ? 31 A 7 -ATOM 450 H HG13 . VAL A1 1 31 ? -14.08 7.18 -20.151 1.0 4.44 ? 31 A 7 -ATOM 451 H HG21 . VAL A1 1 31 ? -10.137 7.702 -21.149 1.0 32.4 ? 31 A 7 -ATOM 452 H HG22 . VAL A1 1 31 ? -11.004 8.141 -19.678 1.0 31.51 ? 31 A 7 -ATOM 453 H HG23 . VAL A1 1 31 ? -10.726 6.443 -20.064 1.0 2.41 ? 31 A 7 -ATOM 454 N N . LYS A1 1 32 ? -14.03 6.343 -23.565 1.0 44.33 ? 32 A 7 -ATOM 455 C CA . LYS A1 1 32 ? -15.29 6.371 -24.298 1.0 33.41 ? 32 A 7 -ATOM 456 C C . LYS A1 1 32 ? -15.945 4.994 -24.307 1.0 33.52 ? 32 A 7 -ATOM 457 O O . LYS A1 1 32 ? -17.156 4.87 -24.126 1.0 55.22 ? 32 A 7 -ATOM 458 C CB . LYS A1 1 32 ? -15.058 6.847 -25.734 1.0 21.43 ? 32 A 7 -ATOM 459 C CG . LYS A1 1 32 ? -15.779 8.141 -26.07 1.0 62.04 ? 32 A 7 -ATOM 460 C CD . LYS A1 1 32 ? -14.853 9.341 -25.956 1.0 13.3 ? 32 A 7 -ATOM 461 C CE . LYS A1 1 32 ? -14.328 9.771 -27.317 1.0 61.02 ? 32 A 7 -ATOM 462 N NZ . LYS A1 1 32 ? -13.756 8.626 -28.079 1.0 10.13 ? 32 A 7 -ATOM 463 H H . LYS A1 1 32 ? -13.211 6.65 -24.009 1.0 0.43 ? 32 A 7 -ATOM 464 H HA . LYS A1 1 32 ? -15.949 7.066 -23.8 1.0 20.21 ? 32 A 7 -ATOM 465 H HB2 . LYS A1 1 32 ? -13.999 7.0 -25.883 1.0 31.13 ? 32 A 7 -ATOM 466 H HB3 . LYS A1 1 32 ? -15.401 6.081 -26.414 1.0 51.43 ? 32 A 7 -ATOM 467 H HG2 . LYS A1 1 32 ? -16.151 8.082 -27.082 1.0 34.55 ? 32 A 7 -ATOM 468 H HG3 . LYS A1 1 32 ? -16.606 8.269 -25.387 1.0 75.31 ? 32 A 7 -ATOM 469 H HD2 . LYS A1 1 32 ? -15.397 10.163 -25.516 1.0 62.53 ? 32 A 7 -ATOM 470 H HD3 . LYS A1 1 32 ? -14.017 9.08 -25.323 1.0 34.24 ? 32 A 7 -ATOM 471 H HE2 . LYS A1 1 32 ? -15.141 10.198 -27.884 1.0 32.35 ? 32 A 7 -ATOM 472 H HE3 . LYS A1 1 32 ? -13.56 10.516 -27.173 1.0 31.14 ? 32 A 7 -ATOM 473 H HZ1 . LYS A1 1 32 ? -13.059 8.121 -27.495 1.0 3.34 ? 32 A 7 -ATOM 474 H HZ2 . LYS A1 1 32 ? -13.288 8.969 -28.942 1.0 11.13 ? 32 A 7 -ATOM 475 H HZ3 . LYS A1 1 32 ? -14.511 7.963 -28.348 1.0 13.55 ? 32 A 7 -ATOM 476 N N . ALA A1 1 33 ? -15.136 3.96 -24.517 1.0 34.21 ? 33 A 7 -ATOM 477 C CA . ALA A1 1 33 ? -15.636 2.592 -24.546 1.0 60.31 ? 33 A 7 -ATOM 478 C C . ALA A1 1 33 ? -16.213 2.189 -23.193 1.0 31.03 ? 33 A 7 -ATOM 479 O O . ALA A1 1 33 ? -17.254 1.536 -23.119 1.0 31.32 ? 33 A 7 -ATOM 480 C CB . ALA A1 1 33 ? -14.528 1.633 -24.956 1.0 54.24 ? 33 A 7 -ATOM 481 H H . ALA A1 1 33 ? -14.179 4.122 -24.655 1.0 43.1 ? 33 A 7 -ATOM 482 H HA . ALA A1 1 33 ? -16.418 2.538 -25.29 1.0 53.01 ? 33 A 7 -ATOM 483 H HB1 . ALA A1 1 33 ? -13.655 1.811 -24.345 1.0 2.33 ? 33 A 7 -ATOM 484 H HB2 . ALA A1 1 33 ? -14.863 0.616 -24.819 1.0 61.23 ? 33 A 7 -ATOM 485 H HB3 . ALA A1 1 33 ? -14.279 1.794 -25.995 1.0 53.23 ? 33 A 7 -ATOM 486 N N . LYS A1 1 34 ? -15.529 2.582 -22.124 1.0 30.14 ? 34 A 7 -ATOM 487 C CA . LYS A1 1 34 ? -15.972 2.263 -20.772 1.0 3.41 ? 34 A 7 -ATOM 488 C C . LYS A1 1 34 ? -17.356 2.846 -20.501 1.0 51.04 ? 34 A 7 -ATOM 489 O O . LYS A1 1 34 ? -18.217 2.182 -19.924 1.0 30.3 ? 34 A 7 -ATOM 490 C CB . LYS A1 1 34 ? -14.972 2.799 -19.745 1.0 63.02 ? 34 A 7 -ATOM 491 C CG . LYS A1 1 34 ? -15.329 2.453 -18.31 1.0 24.43 ? 34 A 7 -ATOM 492 C CD . LYS A1 1 34 ? -14.168 2.718 -17.367 1.0 44.42 ? 34 A 7 -ATOM 493 C CE . LYS A1 1 34 ? -14.599 2.622 -15.911 1.0 34.12 ? 34 A 7 -ATOM 494 N NZ . LYS A1 1 34 ? -14.026 1.423 -15.241 1.0 13.0 ? 34 A 7 -ATOM 495 H H . LYS A1 1 34 ? -14.706 3.1 -22.247 1.0 65.25 ? 34 A 7 -ATOM 496 H HA . LYS A1 1 34 ? -16.025 1.189 -20.685 1.0 3.22 ? 34 A 7 -ATOM 497 H HB2 . LYS A1 1 34 ? -13.997 2.387 -19.961 1.0 71.03 ? 34 A 7 -ATOM 498 H HB3 . LYS A1 1 34 ? -14.926 3.875 -19.833 1.0 71.12 ? 34 A 7 -ATOM 499 H HG2 . LYS A1 1 34 ? -16.173 3.054 -18.003 1.0 24.23 ? 34 A 7 -ATOM 500 H HG3 . LYS A1 1 34 ? -15.593 1.406 -18.257 1.0 22.21 ? 34 A 7 -ATOM 501 H HD2 . LYS A1 1 34 ? -13.393 1.989 -17.549 1.0 63.43 ? 34 A 7 -ATOM 502 H HD3 . LYS A1 1 34 ? -13.783 3.71 -17.554 1.0 75.33 ? 34 A 7 -ATOM 503 H HE2 . LYS A1 1 34 ? -14.266 3.508 -15.392 1.0 34.14 ? 34 A 7 -ATOM 504 H HE3 . LYS A1 1 34 ? -15.677 2.566 -15.872 1.0 0.12 ? 34 A 7 -ATOM 505 H HZ1 . LYS A1 1 34 ? -13.07 1.233 -15.604 1.0 62.42 ? 34 A 7 -ATOM 506 H HZ2 . LYS A1 1 34 ? -14.625 0.592 -15.421 1.0 14.2 ? 34 A 7 -ATOM 507 H HZ3 . LYS A1 1 34 ? -13.971 1.579 -14.214 1.0 65.2 ? 34 A 7 -ATOM 508 N N . ILE A1 1 35 ? -17.562 4.089 -20.924 1.0 14.42 ? 35 A 7 -ATOM 509 C CA . ILE A1 1 35 ? -18.842 4.759 -20.729 1.0 22.32 ? 35 A 7 -ATOM 510 C C . ILE A1 1 35 ? -19.944 4.085 -21.539 1.0 74.31 ? 35 A 7 -ATOM 511 O O . ILE A1 1 35 ? -21.089 3.997 -21.096 1.0 33.23 ? 35 A 7 -ATOM 512 C CB . ILE A1 1 35 ? -18.765 6.245 -21.125 1.0 42.5 ? 35 A 7 -ATOM 513 C CG1 . ILE A1 1 35 ? -17.633 6.94 -20.365 1.0 22.04 ? 35 A 7 -ATOM 514 C CG2 . ILE A1 1 35 ? -20.094 6.935 -20.854 1.0 45.14 ? 35 A 7 -ATOM 515 C CD1 . ILE A1 1 35 ? -17.789 6.88 -18.861 1.0 11.1 ? 35 A 7 -ATOM 516 H H . ILE A1 1 35 ? -16.837 4.566 -21.378 1.0 54.44 ? 35 A 7 -ATOM 517 H HA . ILE A1 1 35 ? -19.093 4.699 -19.68 1.0 30.01 ? 35 A 7 -ATOM 518 H HB . ILE A1 1 35 ? -18.566 6.303 -22.184 1.0 2.44 ? 35 A 7 -ATOM 519 H HG12 . ILE A1 1 35 ? -16.696 6.471 -20.62 1.0 3.24 ? 35 A 7 -ATOM 520 H HG13 . ILE A1 1 35 ? -17.601 7.981 -20.655 1.0 0.11 ? 35 A 7 -ATOM 521 H HG21 . ILE A1 1 35 ? -20.819 6.204 -20.528 1.0 65.32 ? 35 A 7 -ATOM 522 H HG22 . ILE A1 1 35 ? -19.962 7.678 -20.082 1.0 43.1 ? 35 A 7 -ATOM 523 H HG23 . ILE A1 1 35 ? -20.443 7.411 -21.757 1.0 75.41 ? 35 A 7 -ATOM 524 H HD11 . ILE A1 1 35 ? -17.331 7.752 -18.417 1.0 43.52 ? 35 A 7 -ATOM 525 H HD12 . ILE A1 1 35 ? -18.839 6.858 -18.608 1.0 71.15 ? 35 A 7 -ATOM 526 H HD13 . ILE A1 1 35 ? -17.308 5.99 -18.484 1.0 74.3 ? 35 A 7 -ATOM 527 N N . TYR A1 1 36 ? -19.59 3.61 -22.728 1.0 62.53 ? 36 A 7 -ATOM 528 C CA . TYR A1 1 36 ? -20.549 2.944 -23.601 1.0 64.44 ? 36 A 7 -ATOM 529 C C . TYR A1 1 36 ? -21.198 1.758 -22.894 1.0 53.42 ? 36 A 7 -ATOM 530 O O . TYR A1 1 36 ? -22.414 1.574 -22.954 1.0 34.33 ? 36 A 7 -ATOM 531 C CB . TYR A1 1 36 ? -19.862 2.473 -24.884 1.0 74.42 ? 36 A 7 -ATOM 532 C CG . TYR A1 1 36 ? -20.204 1.051 -25.267 1.0 43.51 ? 36 A 7 -ATOM 533 C CD1 . TYR A1 1 36 ? -21.453 0.73 -25.783 1.0 62.31 ? 36 A 7 -ATOM 534 C CD2 . TYR A1 1 36 ? -19.276 0.027 -25.113 1.0 22.21 ? 36 A 7 -ATOM 535 C CE1 . TYR A1 1 36 ? -21.769 -0.568 -26.134 1.0 25.24 ? 36 A 7 -ATOM 536 C CE2 . TYR A1 1 36 ? -19.583 -1.274 -25.462 1.0 24.41 ? 36 A 7 -ATOM 537 C CZ . TYR A1 1 36 ? -20.831 -1.566 -25.971 1.0 51.0 ? 36 A 7 -ATOM 538 O OH . TYR A1 1 36 ? -21.142 -2.861 -26.32 1.0 31.41 ? 36 A 7 -ATOM 539 H H . TYR A1 1 36 ? -18.662 3.71 -23.027 1.0 42.53 ? 36 A 7 -ATOM 540 H HA . TYR A1 1 36 ? -21.317 3.659 -23.858 1.0 45.34 ? 36 A 7 -ATOM 541 H HB2 . TYR A1 1 36 ? -20.157 3.115 -25.699 1.0 32.41 ? 36 A 7 -ATOM 542 H HB3 . TYR A1 1 36 ? -18.791 2.534 -24.753 1.0 73.31 ? 36 A 7 -ATOM 543 H HD1 . TYR A1 1 36 ? -22.185 1.514 -25.909 1.0 14.41 ? 36 A 7 -ATOM 544 H HD2 . TYR A1 1 36 ? -18.299 0.26 -24.713 1.0 73.43 ? 36 A 7 -ATOM 545 H HE1 . TYR A1 1 36 ? -22.746 -0.798 -26.533 1.0 30.0 ? 36 A 7 -ATOM 546 H HE2 . TYR A1 1 36 ? -18.849 -2.056 -25.335 1.0 11.1 ? 36 A 7 -ATOM 547 H HH . TYR A1 1 36 ? -20.334 -3.346 -26.5 1.0 20.21 ? 36 A 7 -ATOM 548 N N . ASP A1 1 37 ? -20.378 0.957 -22.223 1.0 31.31 ? 37 A 7 -ATOM 549 C CA . ASP A1 1 37 ? -20.87 -0.211 -21.501 1.0 4.3 ? 37 A 7 -ATOM 550 C C . ASP A1 1 37 ? -21.566 0.203 -20.208 1.0 30.32 ? 37 A 7 -ATOM 551 O O . ASP A1 1 37 ? -22.528 -0.434 -19.777 1.0 62.0 ? 37 A 7 -ATOM 552 C CB . ASP A1 1 37 ? -19.718 -1.168 -21.191 1.0 35.43 ? 37 A 7 -ATOM 553 C CG . ASP A1 1 37 ? -20.021 -2.593 -21.611 1.0 34.32 ? 37 A 7 -ATOM 554 O OD1 . ASP A1 1 37 ? -19.874 -2.901 -22.812 1.0 31.12 ? 37 A 7 -ATOM 555 O OD2 . ASP A1 1 37 ? -20.405 -3.4 -20.739 1.0 3.2 ? 37 A 7 -ATOM 556 H H . ASP A1 1 37 ? -19.418 1.156 -22.212 1.0 51.42 ? 37 A 7 -ATOM 557 H HA . ASP A1 1 37 ? -21.584 -0.715 -22.134 1.0 32.24 ? 37 A 7 -ATOM 558 H HB2 . ASP A1 1 37 ? -18.833 -0.838 -21.716 1.0 43.14 ? 37 A 7 -ATOM 559 H HB3 . ASP A1 1 37 ? -19.526 -1.158 -20.128 1.0 34.23 ? 37 A 7 -ATOM 560 N N . LYS A1 1 38 ? -21.073 1.272 -19.593 1.0 33.03 ? 38 A 7 -ATOM 561 C CA . LYS A1 1 38 ? -21.647 1.772 -18.349 1.0 33.5 ? 38 A 7 -ATOM 562 C C . LYS A1 1 38 ? -23.131 2.08 -18.519 1.0 62.1 ? 38 A 7 -ATOM 563 O O . LYS A1 1 38 ? -23.955 1.676 -17.7 1.0 13.24 ? 38 A 7 -ATOM 564 C CB . LYS A1 1 38 ? -20.904 3.029 -17.89 1.0 32.13 ? 38 A 7 -ATOM 565 C CG . LYS A1 1 38 ? -20.195 2.863 -16.557 1.0 11.13 ? 38 A 7 -ATOM 566 C CD . LYS A1 1 38 ? -18.734 2.49 -16.745 1.0 55.11 ? 38 A 7 -ATOM 567 C CE . LYS A1 1 38 ? -18.518 0.991 -16.602 1.0 12.13 ? 38 A 7 -ATOM 568 N NZ . LYS A1 1 38 ? -17.837 0.412 -17.793 1.0 62.42 ? 38 A 7 -ATOM 569 H H . LYS A1 1 38 ? -20.305 1.737 -19.986 1.0 40.1 ? 38 A 7 -ATOM 570 H HA . LYS A1 1 38 ? -21.534 1.003 -17.6 1.0 13.43 ? 38 A 7 -ATOM 571 H HB2 . LYS A1 1 38 ? -20.168 3.29 -18.636 1.0 53.44 ? 38 A 7 -ATOM 572 H HB3 . LYS A1 1 38 ? -21.614 3.838 -17.798 1.0 74.35 ? 38 A 7 -ATOM 573 H HG2 . LYS A1 1 38 ? -20.25 3.793 -16.012 1.0 72.35 ? 38 A 7 -ATOM 574 H HG3 . LYS A1 1 38 ? -20.686 2.083 -15.993 1.0 65.33 ? 38 A 7 -ATOM 575 H HD2 . LYS A1 1 38 ? -18.418 2.794 -17.732 1.0 31.44 ? 38 A 7 -ATOM 576 H HD3 . LYS A1 1 38 ? -18.141 3.003 -16.001 1.0 51.13 ? 38 A 7 -ATOM 577 H HE2 . LYS A1 1 38 ? -17.912 0.81 -15.727 1.0 72.24 ? 38 A 7 -ATOM 578 H HE3 . LYS A1 1 38 ? -19.479 0.513 -16.479 1.0 52.14 ? 38 A 7 -ATOM 579 H HZ1 . LYS A1 1 38 ? -18.416 -0.349 -18.201 1.0 12.21 ? 38 A 7 -ATOM 580 H HZ2 . LYS A1 1 38 ? -16.912 0.021 -17.52 1.0 31.3 ? 38 A 7 -ATOM 581 H HZ3 . LYS A1 1 38 ? -17.691 1.147 -18.513 1.0 72.13 ? 38 A 7 -ATOM 582 N N . GLU A1 1 39 ? -23.464 2.795 -19.589 1.0 74.33 ? 39 A 7 -ATOM 583 C CA . GLU A1 1 39 ? -24.849 3.156 -19.866 1.0 31.43 ? 39 A 7 -ATOM 584 C C . GLU A1 1 39 ? -25.42 2.298 -20.992 1.0 55.55 ? 39 A 7 -ATOM 585 O O . GLU A1 1 39 ? -26.437 1.628 -20.822 1.0 44.25 ? 39 A 7 -ATOM 586 C CB . GLU A1 1 39 ? -24.95 4.637 -20.236 1.0 31.12 ? 39 A 7 -ATOM 587 C CG . GLU A1 1 39 ? -23.779 5.469 -19.743 1.0 22.34 ? 39 A 7 -ATOM 588 C CD . GLU A1 1 39 ? -23.755 5.606 -18.233 1.0 34.02 ? 39 A 7 -ATOM 589 O OE1 . GLU A1 1 39 ? -23.895 4.576 -17.541 1.0 60.52 ? 39 A 7 -ATOM 590 O OE2 . GLU A1 1 39 ? -23.597 6.744 -17.743 1.0 24.54 ? 39 A 7 -ATOM 591 H H . GLU A1 1 39 ? -22.761 3.088 -20.206 1.0 53.12 ? 39 A 7 -ATOM 592 H HA . GLU A1 1 39 ? -25.423 2.979 -18.969 1.0 24.23 ? 39 A 7 -ATOM 593 H HB2 . GLU A1 1 39 ? -25.0 4.724 -21.312 1.0 13.32 ? 39 A 7 -ATOM 594 H HB3 . GLU A1 1 39 ? -25.856 5.041 -19.81 1.0 53.15 ? 39 A 7 -ATOM 595 H HG2 . GLU A1 1 39 ? -22.86 4.998 -20.06 1.0 73.51 ? 39 A 7 -ATOM 596 H HG3 . GLU A1 1 39 ? -23.845 6.455 -20.178 1.0 55.55 ? 39 A 7 -ATOM 597 N N . GLY A1 1 40 ? -24.756 2.327 -22.144 1.0 41.31 ? 40 A 7 -ATOM 598 C CA . GLY A1 1 40 ? -25.212 1.549 -23.282 1.0 23.2 ? 40 A 7 -ATOM 599 C C . GLY A1 1 40 ? -25.48 2.409 -24.501 1.0 54.31 ? 40 A 7 -ATOM 600 O O . GLY A1 1 40 ? -26.515 2.266 -25.153 1.0 62.35 ? 40 A 7 -ATOM 601 H H . GLY A1 1 40 ? -23.951 2.88 -22.222 1.0 1.31 ? 40 A 7 -ATOM 602 H HA2 . GLY A1 1 40 ? -24.457 0.818 -23.529 1.0 42.33 ? 40 A 7 -ATOM 603 H HA3 . GLY A1 1 40 ? -26.122 1.035 -23.011 1.0 42.25 ? 40 A 7 -ATOM 604 N N . ILE A1 1 41 ? -24.548 3.304 -24.809 1.0 11.45 ? 41 A 7 -ATOM 605 C CA . ILE A1 1 41 ? -24.69 4.19 -25.957 1.0 13.21 ? 41 A 7 -ATOM 606 C C . ILE A1 1 41 ? -23.46 4.126 -26.856 1.0 73.14 ? 41 A 7 -ATOM 607 O O . ILE A1 1 41 ? -22.376 3.719 -26.439 1.0 54.03 ? 41 A 7 -ATOM 608 C CB . ILE A1 1 41 ? -24.916 5.649 -25.518 1.0 13.54 ? 41 A 7 -ATOM 609 C CG1 . ILE A1 1 41 ? -24.104 5.957 -24.258 1.0 35.25 ? 41 A 7 -ATOM 610 C CG2 . ILE A1 1 41 ? -26.396 5.907 -25.278 1.0 15.54 ? 41 A 7 -ATOM 611 C CD1 . ILE A1 1 41 ? -24.213 7.397 -23.806 1.0 51.21 ? 41 A 7 -ATOM 612 H H . ILE A1 1 41 ? -23.745 3.37 -24.25 1.0 10.31 ? 41 A 7 -ATOM 613 H HA . ILE A1 1 41 ? -25.553 3.868 -26.522 1.0 22.4 ? 41 A 7 -ATOM 614 H HB . ILE A1 1 41 ? -24.587 6.297 -26.317 1.0 2.22 ? 41 A 7 -ATOM 615 H HG12 . ILE A1 1 41 ? -24.451 5.33 -23.452 1.0 53.25 ? 41 A 7 -ATOM 616 H HG13 . ILE A1 1 41 ? -23.062 5.746 -24.45 1.0 73.21 ? 41 A 7 -ATOM 617 H HG21 . ILE A1 1 41 ? -26.974 5.092 -25.688 1.0 41.34 ? 41 A 7 -ATOM 618 H HG22 . ILE A1 1 41 ? -26.58 5.98 -24.217 1.0 35.01 ? 41 A 7 -ATOM 619 H HG23 . ILE A1 1 41 ? -26.683 6.83 -25.758 1.0 24.24 ? 41 A 7 -ATOM 620 H HD11 . ILE A1 1 41 ? -24.994 7.891 -24.366 1.0 13.35 ? 41 A 7 -ATOM 621 H HD12 . ILE A1 1 41 ? -24.452 7.427 -22.753 1.0 5.02 ? 41 A 7 -ATOM 622 H HD13 . ILE A1 1 41 ? -23.274 7.9 -23.978 1.0 73.01 ? 41 A 7 -ATOM 623 N N . PRO A1 1 42 ? -23.629 4.54 -28.121 1.0 42.01 ? 42 A 7 -ATOM 624 C CA . PRO A1 1 42 ? -22.543 4.542 -29.105 1.0 63.34 ? 42 A 7 -ATOM 625 C C . PRO A1 1 42 ? -21.485 5.595 -28.799 1.0 4.23 ? 42 A 7 -ATOM 626 O O . PRO A1 1 42 ? -21.751 6.797 -28.803 1.0 21.54 ? 42 A 7 -ATOM 627 C CB . PRO A1 1 42 ? -23.257 4.867 -30.42 1.0 63.45 ? 42 A 7 -ATOM 628 C CG . PRO A1 1 42 ? -24.479 5.614 -30.013 1.0 31.23 ? 42 A 7 -ATOM 629 C CD . PRO A1 1 42 ? -24.894 5.039 -28.687 1.0 52.22 ? 42 A 7 -ATOM 630 H HA . PRO A1 1 42 ? -22.073 3.572 -29.179 1.0 60.32 ? 42 A 7 -ATOM 631 H HB2 . PRO A1 1 42 ? -22.612 5.472 -31.042 1.0 50.23 ? 42 A 7 -ATOM 632 H HB3 . PRO A1 1 42 ? -23.507 3.951 -30.934 1.0 64.01 ? 42 A 7 -ATOM 633 H HG2 . PRO A1 1 42 ? -24.251 6.664 -29.911 1.0 0.11 ? 42 A 7 -ATOM 634 H HG3 . PRO A1 1 42 ? -25.26 5.468 -30.745 1.0 1.1 ? 42 A 7 -ATOM 635 H HD2 . PRO A1 1 42 ? -25.321 5.806 -28.059 1.0 11.32 ? 42 A 7 -ATOM 636 H HD3 . PRO A1 1 42 ? -25.597 4.231 -28.829 1.0 34.03 ? 42 A 7 -ATOM 637 N N . PRO A1 1 43 ? -20.254 5.137 -28.527 1.0 1.41 ? 43 A 7 -ATOM 638 C CA . PRO A1 1 43 ? -19.13 6.025 -28.214 1.0 62.53 ? 43 A 7 -ATOM 639 C C . PRO A1 1 43 ? -18.67 6.827 -29.427 1.0 21.35 ? 43 A 7 -ATOM 640 O O . PRO A1 1 43 ? -18.194 7.954 -29.293 1.0 73.42 ? 43 A 7 -ATOM 641 C CB . PRO A1 1 43 ? -18.031 5.06 -27.763 1.0 74.43 ? 43 A 7 -ATOM 642 C CG . PRO A1 1 43 ? -18.363 3.769 -28.427 1.0 42.11 ? 43 A 7 -ATOM 643 C CD . PRO A1 1 43 ? -19.864 3.717 -28.504 1.0 32.53 ? 43 A 7 -ATOM 644 H HA . PRO A1 1 43 ? -19.371 6.701 -27.407 1.0 3.1 ? 43 A 7 -ATOM 645 H HB2 . PRO A1 1 43 ? -17.068 5.433 -28.081 1.0 1.2 ? 43 A 7 -ATOM 646 H HB3 . PRO A1 1 43 ? -18.049 4.966 -26.687 1.0 52.2 ? 43 A 7 -ATOM 647 H HG2 . PRO A1 1 43 ? -17.936 3.745 -29.418 1.0 21.5 ? 43 A 7 -ATOM 648 H HG3 . PRO A1 1 43 ? -17.99 2.945 -27.837 1.0 41.32 ? 43 A 7 -ATOM 649 H HD2 . PRO A1 1 43 ? -20.179 3.216 -29.407 1.0 55.24 ? 43 A 7 -ATOM 650 H HD3 . PRO A1 1 43 ? -20.27 3.221 -27.634 1.0 31.14 ? 43 A 7 -ATOM 651 N N . ASP A1 1 44 ? -18.814 6.238 -30.609 1.0 54.12 ? 44 A 7 -ATOM 652 C CA . ASP A1 1 44 ? -18.414 6.898 -31.846 1.0 51.34 ? 44 A 7 -ATOM 653 C C . ASP A1 1 44 ? -19.398 8.005 -32.213 1.0 65.34 ? 44 A 7 -ATOM 654 O O . ASP A1 1 44 ? -19.095 8.868 -33.037 1.0 41.23 ? 44 A 7 -ATOM 655 C CB . ASP A1 1 44 ? -18.322 5.882 -32.985 1.0 23.35 ? 44 A 7 -ATOM 656 C CG . ASP A1 1 44 ? -17.501 6.393 -34.152 1.0 52.14 ? 44 A 7 -ATOM 657 O OD1 . ASP A1 1 44 ? -16.278 6.574 -33.982 1.0 70.43 ? 44 A 7 -ATOM 658 O OD2 . ASP A1 1 44 ? -18.082 6.613 -35.236 1.0 15.14 ? 44 A 7 -ATOM 659 H H . ASP A1 1 44 ? -19.2 5.337 -30.65 1.0 64.31 ? 44 A 7 -ATOM 660 H HA . ASP A1 1 44 ? -17.441 7.337 -31.688 1.0 72.42 ? 44 A 7 -ATOM 661 H HB2 . ASP A1 1 44 ? -17.863 4.977 -32.615 1.0 64.21 ? 44 A 7 -ATOM 662 H HB3 . ASP A1 1 44 ? -19.318 5.657 -33.339 1.0 74.33 ? 44 A 7 -ATOM 663 N N . GLN A1 1 45 ? -20.575 7.972 -31.598 1.0 24.51 ? 45 A 7 -ATOM 664 C CA . GLN A1 1 45 ? -21.603 8.972 -31.862 1.0 55.1 ? 45 A 7 -ATOM 665 C C . GLN A1 1 45 ? -21.565 10.081 -30.816 1.0 65.33 ? 45 A 7 -ATOM 666 O O . GLN A1 1 45 ? -22.194 11.126 -30.983 1.0 0.12 ? 45 A 7 -ATOM 667 C CB . GLN A1 1 45 ? -22.987 8.319 -31.88 1.0 3.33 ? 45 A 7 -ATOM 668 C CG . GLN A1 1 45 ? -23.389 7.783 -33.244 1.0 71.05 ? 45 A 7 -ATOM 669 C CD . GLN A1 1 45 ? -24.403 6.66 -33.154 1.0 50.21 ? 45 A 7 -ATOM 670 O OE1 . GLN A1 1 45 ? -25.506 6.844 -32.639 1.0 30.33 ? 45 A 7 -ATOM 671 N NE2 . GLN A1 1 45 ? -24.035 5.487 -33.657 1.0 54.11 ? 45 A 7 -ATOM 672 H H . GLN A1 1 45 ? -20.757 7.259 -30.951 1.0 33.14 ? 45 A 7 -ATOM 673 H HA . GLN A1 1 45 ? -21.406 9.402 -32.832 1.0 54.13 ? 45 A 7 -ATOM 674 H HB2 . GLN A1 1 45 ? -22.993 7.498 -31.178 1.0 72.22 ? 45 A 7 -ATOM 675 H HB3 . GLN A1 1 45 ? -23.72 9.05 -31.574 1.0 51.24 ? 45 A 7 -ATOM 676 H HG2 . GLN A1 1 45 ? -23.818 8.589 -33.821 1.0 11.31 ? 45 A 7 -ATOM 677 H HG3 . GLN A1 1 45 ? -22.506 7.413 -33.745 1.0 33.23 ? 45 A 7 -ATOM 678 H HE21 . GLN A1 1 45 ? -23.14 5.414 -34.051 1.0 35.4 ? 45 A 7 -ATOM 679 H HE22 . GLN A1 1 45 ? -24.67 4.744 -33.612 1.0 53.4 ? 45 A 7 -ATOM 680 N N . GLN A1 1 46 ? -20.824 9.847 -29.738 1.0 5.34 ? 46 A 7 -ATOM 681 C CA . GLN A1 1 46 ? -20.705 10.827 -28.665 1.0 54.21 ? 46 A 7 -ATOM 682 C C . GLN A1 1 46 ? -19.275 11.346 -28.558 1.0 23.33 ? 46 A 7 -ATOM 683 O O . GLN A1 1 46 ? -18.321 10.638 -28.88 1.0 42.0 ? 46 A 7 -ATOM 684 C CB . GLN A1 1 46 ? -21.138 10.211 -27.333 1.0 54.1 ? 46 A 7 -ATOM 685 C CG . GLN A1 1 46 ? -20.292 9.021 -26.91 1.0 63.33 ? 46 A 7 -ATOM 686 C CD . GLN A1 1 46 ? -20.183 8.889 -25.404 1.0 73.34 ? 46 A 7 -ATOM 687 O OE1 . GLN A1 1 46 ? -21.161 8.579 -24.724 1.0 62.34 ? 46 A 7 -ATOM 688 N NE2 . GLN A1 1 46 ? -18.988 9.124 -24.874 1.0 52.51 ? 46 A 7 -ATOM 689 H H . GLN A1 1 46 ? -20.346 8.995 -29.663 1.0 61.13 ? 46 A 7 -ATOM 690 H HA . GLN A1 1 46 ? -21.359 11.654 -28.898 1.0 1.54 ? 46 A 7 -ATOM 691 H HB2 . GLN A1 1 46 ? -21.071 10.965 -26.563 1.0 70.34 ? 46 A 7 -ATOM 692 H HB3 . GLN A1 1 46 ? -22.164 9.884 -27.418 1.0 24.41 ? 46 A 7 -ATOM 693 H HG2 . GLN A1 1 46 ? -20.739 8.12 -27.303 1.0 71.34 ? 46 A 7 -ATOM 694 H HG3 . GLN A1 1 46 ? -19.3 9.137 -27.32 1.0 12.44 ? 46 A 7 -ATOM 695 H HE21 . GLN A1 1 46 ? -18.254 9.368 -25.478 1.0 61.21 ? 46 A 7 -ATOM 696 H HE22 . GLN A1 1 46 ? -18.889 9.047 -23.903 1.0 54.41 ? 46 A 7 -ATOM 697 N N . ARG A1 1 47 ? -19.134 12.587 -28.104 1.0 11.31 ? 47 A 7 -ATOM 698 C CA . ARG A1 1 47 ? -17.821 13.202 -27.956 1.0 74.42 ? 47 A 7 -ATOM 699 C C . ARG A1 1 47 ? -17.72 13.958 -26.634 1.0 0.05 ? 47 A 7 -ATOM 700 O O . ARG A1 1 47 ? -18.73 14.233 -25.985 1.0 62.43 ? 47 A 7 -ATOM 701 C CB . ARG A1 1 47 ? -17.545 14.153 -29.122 1.0 53.24 ? 47 A 7 -ATOM 702 C CG . ARG A1 1 47 ? -17.727 13.511 -30.487 1.0 25.13 ? 47 A 7 -ATOM 703 C CD . ARG A1 1 47 ? -17.195 14.404 -31.598 1.0 74.31 ? 47 A 7 -ATOM 704 N NE . ARG A1 1 47 ? -17.435 13.834 -32.921 1.0 72.02 ? 47 A 7 -ATOM 705 C CZ . ARG A1 1 47 ? -17.357 14.533 -34.047 1.0 4.33 ? 47 A 7 -ATOM 706 N NH1 . ARG A1 1 47 ? -17.046 15.821 -34.012 1.0 22.33 ? 47 A 7 -ATOM 707 N NH2 . ARG A1 1 47 ? -17.589 13.943 -35.213 1.0 24.44 ? 47 A 7 -ATOM 708 H H . ARG A1 1 47 ? -19.933 13.102 -27.863 1.0 14.32 ? 47 A 7 -ATOM 709 H HA . ARG A1 1 47 ? -17.083 12.414 -27.963 1.0 52.1 ? 47 A 7 -ATOM 710 H HB2 . ARG A1 1 47 ? -18.218 14.995 -29.052 1.0 12.43 ? 47 A 7 -ATOM 711 H HB3 . ARG A1 1 47 ? -16.528 14.509 -29.048 1.0 31.22 ? 47 A 7 -ATOM 712 H HG2 . ARG A1 1 47 ? -17.192 12.573 -30.508 1.0 2.15 ? 47 A 7 -ATOM 713 H HG3 . ARG A1 1 47 ? -18.779 13.332 -30.653 1.0 3.22 ? 47 A 7 -ATOM 714 H HD2 . ARG A1 1 47 ? -17.685 15.364 -31.536 1.0 62.34 ? 47 A 7 -ATOM 715 H HD3 . ARG A1 1 47 ? -16.132 14.533 -31.459 1.0 4.32 ? 47 A 7 -ATOM 716 H HE . ARG A1 1 47 ? -17.666 12.883 -32.97 1.0 51.12 ? 47 A 7 -ATOM 717 H HH11 . ARG A1 1 47 ? -16.869 16.268 -33.135 1.0 35.02 ? 47 A 7 -ATOM 718 H HH12 . ARG A1 1 47 ? -16.986 16.345 -34.862 1.0 42.25 ? 47 A 7 -ATOM 719 H HH21 . ARG A1 1 47 ? -17.824 12.972 -35.244 1.0 32.54 ? 47 A 7 -ATOM 720 H HH22 . ARG A1 1 47 ? -17.53 14.47 -36.06 1.0 51.04 ? 47 A 7 -ATOM 721 N N . LEU A1 1 48 ? -16.496 14.291 -26.241 1.0 13.42 ? 48 A 7 -ATOM 722 C CA . LEU A1 1 48 ? -16.262 15.015 -24.996 1.0 63.04 ? 48 A 7 -ATOM 723 C C . LEU A1 1 48 ? -15.955 16.484 -25.27 1.0 70.54 ? 48 A 7 -ATOM 724 O O . LEU A1 1 48 ? -15.359 16.823 -26.292 1.0 13.22 ? 48 A 7 -ATOM 725 C CB . LEU A1 1 48 ? -15.108 14.377 -24.22 1.0 73.22 ? 48 A 7 -ATOM 726 C CG . LEU A1 1 48 ? -14.991 12.856 -24.322 1.0 23.01 ? 48 A 7 -ATOM 727 C CD1 . LEU A1 1 48 ? -16.368 12.21 -24.278 1.0 2.23 ? 48 A 7 -ATOM 728 C CD2 . LEU A1 1 48 ? -14.256 12.462 -25.595 1.0 62.5 ? 48 A 7 -ATOM 729 H H . LEU A1 1 48 ? -15.73 14.045 -26.8 1.0 13.1 ? 48 A 7 -ATOM 730 H HA . LEU A1 1 48 ? -17.162 14.952 -24.403 1.0 5.14 ? 48 A 7 -ATOM 731 H HB2 . LEU A1 1 48 ? -14.188 14.804 -24.587 1.0 14.35 ? 48 A 7 -ATOM 732 H HB3 . LEU A1 1 48 ? -15.232 14.631 -23.177 1.0 62.22 ? 48 A 7 -ATOM 733 H HG . LEU A1 1 48 ? -14.423 12.487 -23.479 1.0 74.12 ? 48 A 7 -ATOM 734 H HD11 . LEU A1 1 48 ? -17.057 12.867 -23.769 1.0 72.12 ? 48 A 7 -ATOM 735 H HD12 . LEU A1 1 48 ? -16.308 11.271 -23.748 1.0 51.52 ? 48 A 7 -ATOM 736 H HD13 . LEU A1 1 48 ? -16.715 12.033 -25.285 1.0 50.13 ? 48 A 7 -ATOM 737 H HD21 . LEU A1 1 48 ? -13.612 13.271 -25.904 1.0 32.51 ? 48 A 7 -ATOM 738 H HD22 . LEU A1 1 48 ? -14.974 12.254 -26.375 1.0 4.35 ? 48 A 7 -ATOM 739 H HD23 . LEU A1 1 48 ? -13.662 11.578 -25.409 1.0 44.23 ? 48 A 7 -ATOM 740 N N . ILE A1 1 49 ? -16.364 17.35 -24.349 1.0 13.31 ? 49 A 7 -ATOM 741 C CA . ILE A1 1 49 ? -16.13 18.782 -24.489 1.0 13.25 ? 49 A 7 -ATOM 742 C C . ILE A1 1 49 ? -15.741 19.409 -23.155 1.0 73.24 ? 49 A 7 -ATOM 743 O O . ILE A1 1 49 ? -16.429 19.232 -22.15 1.0 20.41 ? 49 A 7 -ATOM 744 C CB . ILE A1 1 49 ? -17.373 19.504 -25.041 1.0 42.12 ? 49 A 7 -ATOM 745 C CG1 . ILE A1 1 49 ? -17.475 19.307 -26.555 1.0 21.4 ? 49 A 7 -ATOM 746 C CG2 . ILE A1 1 49 ? -17.322 20.985 -24.696 1.0 44.11 ? 49 A 7 -ATOM 747 C CD1 . ILE A1 1 49 ? -18.74 18.6 -26.988 1.0 30.32 ? 49 A 7 -ATOM 748 H H . ILE A1 1 49 ? -16.834 17.018 -23.555 1.0 11.12 ? 49 A 7 -ATOM 749 H HA . ILE A1 1 49 ? -15.318 18.919 -25.19 1.0 31.54 ? 49 A 7 -ATOM 750 H HB . ILE A1 1 49 ? -18.247 19.08 -24.57 1.0 10.22 ? 49 A 7 -ATOM 751 H HG12 . ILE A1 1 49 ? -17.452 20.27 -27.039 1.0 52.53 ? 49 A 7 -ATOM 752 H HG13 . ILE A1 1 49 ? -16.633 18.719 -26.891 1.0 23.14 ? 49 A 7 -ATOM 753 H HG21 . ILE A1 1 49 ? -17.512 21.116 -23.641 1.0 54.41 ? 49 A 7 -ATOM 754 H HG22 . ILE A1 1 49 ? -16.344 21.376 -24.936 1.0 2.4 ? 49 A 7 -ATOM 755 H HG23 . ILE A1 1 49 ? -18.071 21.514 -25.265 1.0 53.42 ? 49 A 7 -ATOM 756 H HD11 . ILE A1 1 49 ? -18.516 17.934 -27.809 1.0 43.14 ? 49 A 7 -ATOM 757 H HD12 . ILE A1 1 49 ? -19.136 18.029 -26.161 1.0 61.33 ? 49 A 7 -ATOM 758 H HD13 . ILE A1 1 49 ? -19.47 19.329 -27.306 1.0 3.14 ? 49 A 7 -ATOM 759 N N . PHE A1 1 50 ? -14.635 20.145 -23.153 1.0 0.44 ? 50 A 7 -ATOM 760 C CA . PHE A1 1 50 ? -14.154 20.8 -21.943 1.0 63.4 ? 50 A 7 -ATOM 761 C C . PHE A1 1 50 ? -14.117 22.315 -22.122 1.0 34.31 ? 50 A 7 -ATOM 762 O O . PHE A1 1 50 ? -13.281 22.844 -22.853 1.0 24.03 ? 50 A 7 -ATOM 763 C CB . PHE A1 1 50 ? -12.761 20.284 -21.577 1.0 1.31 ? 50 A 7 -ATOM 764 C CG . PHE A1 1 50 ? -12.344 20.626 -20.175 1.0 63.44 ? 50 A 7 -ATOM 765 C CD1 . PHE A1 1 50 ? -13.088 20.189 -19.091 1.0 63.22 ? 50 A 7 -ATOM 766 C CD2 . PHE A1 1 50 ? -11.209 21.386 -19.941 1.0 31.12 ? 50 A 7 -ATOM 767 C CE1 . PHE A1 1 50 ? -12.707 20.502 -17.799 1.0 44.05 ? 50 A 7 -ATOM 768 C CE2 . PHE A1 1 50 ? -10.823 21.701 -18.652 1.0 53.14 ? 50 A 7 -ATOM 769 C CZ . PHE A1 1 50 ? -11.573 21.26 -17.58 1.0 64.24 ? 50 A 7 -ATOM 770 H H . PHE A1 1 50 ? -14.129 20.249 -23.987 1.0 32.43 ? 50 A 7 -ATOM 771 H HA . PHE A1 1 50 ? -14.839 20.561 -21.143 1.0 55.42 ? 50 A 7 -ATOM 772 H HB2 . PHE A1 1 50 ? -12.746 19.209 -21.674 1.0 72.21 ? 50 A 7 -ATOM 773 H HB3 . PHE A1 1 50 ? -12.037 20.713 -22.253 1.0 52.42 ? 50 A 7 -ATOM 774 H HD1 . PHE A1 1 50 ? -13.975 19.596 -19.261 1.0 64.41 ? 50 A 7 -ATOM 775 H HD2 . PHE A1 1 50 ? -10.621 21.733 -20.779 1.0 25.0 ? 50 A 7 -ATOM 776 H HE1 . PHE A1 1 50 ? -13.296 20.155 -16.963 1.0 33.34 ? 50 A 7 -ATOM 777 H HE2 . PHE A1 1 50 ? -9.936 22.294 -18.484 1.0 34.14 ? 50 A 7 -ATOM 778 H HZ . PHE A1 1 50 ? -11.273 21.504 -16.572 1.0 42.2 ? 50 A 7 -ATOM 779 N N . GLY A1 1 51 ? -15.031 23.007 -21.449 1.0 53.44 ? 51 A 7 -ATOM 780 C CA . GLY A1 1 51 ? -15.087 24.454 -21.548 1.0 33.5 ? 51 A 7 -ATOM 781 C C . GLY A1 1 51 ? -15.652 24.923 -22.874 1.0 34.32 ? 51 A 7 -ATOM 782 O O . GLY A1 1 51 ? -15.829 26.121 -23.092 1.0 0.02 ? 51 A 7 -ATOM 783 H H . GLY A1 1 51 ? -15.673 22.532 -20.882 1.0 14.34 ? 51 A 7 -ATOM 784 H HA2 . GLY A1 1 51 ? -15.706 24.835 -20.75 1.0 71.3 ? 51 A 7 -ATOM 785 H HA3 . GLY A1 1 51 ? -14.088 24.85 -21.435 1.0 2.33 ? 51 A 7 -ATOM 786 N N . GLY A1 1 52 ? -15.934 23.977 -23.764 1.0 51.33 ? 52 A 7 -ATOM 787 C CA . GLY A1 1 52 ? -16.477 24.32 -25.065 1.0 70.11 ? 52 A 7 -ATOM 788 C C . GLY A1 1 52 ? -15.736 23.641 -26.2 1.0 64.35 ? 52 A 7 -ATOM 789 O O . GLY A1 1 52 ? -16.289 23.442 -27.282 1.0 21.12 ? 52 A 7 -ATOM 790 H H . GLY A1 1 52 ? -15.772 23.037 -23.535 1.0 52.33 ? 52 A 7 -ATOM 791 H HA2 . GLY A1 1 52 ? -17.515 24.024 -25.099 1.0 34.31 ? 52 A 7 -ATOM 792 H HA3 . GLY A1 1 52 ? -16.413 25.39 -25.198 1.0 33.12 ? 52 A 7 -ATOM 793 N N . LYS A1 1 53 ? -14.479 23.286 -25.955 1.0 4.12 ? 53 A 7 -ATOM 794 C CA . LYS A1 1 53 ? -13.66 22.626 -26.965 1.0 20.15 ? 53 A 7 -ATOM 795 C C . LYS A1 1 53 ? -13.745 21.109 -26.828 1.0 12.34 ? 53 A 7 -ATOM 796 O O . LYS A1 1 53 ? -13.847 20.582 -25.721 1.0 53.3 ? 53 A 7 -ATOM 797 C CB . LYS A1 1 53 ? -12.203 23.078 -26.844 1.0 12.13 ? 53 A 7 -ATOM 798 C CG . LYS A1 1 53 ? -11.586 22.787 -25.486 1.0 34.42 ? 53 A 7 -ATOM 799 C CD . LYS A1 1 53 ? -10.872 21.446 -25.474 1.0 44.0 ? 53 A 7 -ATOM 800 C CE . LYS A1 1 53 ? -9.693 21.434 -26.435 1.0 75.53 ? 53 A 7 -ATOM 801 N NZ . LYS A1 1 53 ? -8.392 21.354 -25.715 1.0 61.53 ? 53 A 7 -ATOM 802 H H . LYS A1 1 53 ? -14.094 23.472 -25.073 1.0 32.12 ? 53 A 7 -ATOM 803 H HA . LYS A1 1 53 ? -14.036 22.91 -27.935 1.0 74.23 ? 53 A 7 -ATOM 804 H HB2 . LYS A1 1 53 ? -11.618 22.573 -27.597 1.0 34.02 ? 53 A 7 -ATOM 805 H HB3 . LYS A1 1 53 ? -12.154 24.144 -27.017 1.0 32.22 ? 53 A 7 -ATOM 806 H HG2 . LYS A1 1 53 ? -10.874 23.564 -25.25 1.0 24.24 ? 53 A 7 -ATOM 807 H HG3 . LYS A1 1 53 ? -12.369 22.775 -24.741 1.0 53.0 ? 53 A 7 -ATOM 808 H HD2 . LYS A1 1 53 ? -10.511 21.25 -24.476 1.0 22.42 ? 53 A 7 -ATOM 809 H HD3 . LYS A1 1 53 ? -11.571 20.674 -25.764 1.0 0.05 ? 53 A 7 -ATOM 810 H HE2 . LYS A1 1 53 ? -9.787 20.579 -27.087 1.0 25.2 ? 53 A 7 -ATOM 811 H HE3 . LYS A1 1 53 ? -9.716 22.339 -27.023 1.0 75.24 ? 53 A 7 -ATOM 812 H HZ1 . LYS A1 1 53 ? -7.676 20.903 -26.319 1.0 1.33 ? 53 A 7 -ATOM 813 H HZ2 . LYS A1 1 53 ? -8.499 20.795 -24.845 1.0 14.14 ? 53 A 7 -ATOM 814 H HZ3 . LYS A1 1 53 ? -8.065 22.308 -25.462 1.0 31.25 ? 53 A 7 -ATOM 815 N N . GLN A1 1 54 ? -13.702 20.414 -27.96 1.0 32.1 ? 54 A 7 -ATOM 816 C CA . GLN A1 1 54 ? -13.774 18.958 -27.966 1.0 3.14 ? 54 A 7 -ATOM 817 C C . GLN A1 1 54 ? -12.476 18.347 -27.448 1.0 14.5 ? 54 A 7 -ATOM 818 O O . GLN A1 1 54 ? -11.445 19.018 -27.38 1.0 22.04 ? 54 A 7 -ATOM 819 C CB . GLN A1 1 54 ? -14.065 18.446 -29.377 1.0 14.03 ? 54 A 7 -ATOM 820 C CG . GLN A1 1 54 ? -15.501 17.987 -29.574 1.0 52.41 ? 54 A 7 -ATOM 821 C CD . GLN A1 1 54 ? -16.46 19.142 -29.778 1.0 44.23 ? 54 A 7 -ATOM 822 O OE1 . GLN A1 1 54 ? -16.198 20.266 -29.348 1.0 25.33 ? 54 A 7 -ATOM 823 N NE2 . GLN A1 1 54 ? -17.58 18.872 -30.439 1.0 63.1 ? 54 A 7 -ATOM 824 H H . GLN A1 1 54 ? -13.62 20.892 -28.812 1.0 52.11 ? 54 A 7 -ATOM 825 H HA . GLN A1 1 54 ? -14.581 18.664 -27.312 1.0 62.04 ? 54 A 7 -ATOM 826 H HB2 . GLN A1 1 54 ? -13.863 19.237 -30.083 1.0 31.24 ? 54 A 7 -ATOM 827 H HB3 . GLN A1 1 54 ? -13.412 17.612 -29.587 1.0 25.42 ? 54 A 7 -ATOM 828 H HG2 . GLN A1 1 54 ? -15.545 17.345 -30.441 1.0 52.11 ? 54 A 7 -ATOM 829 H HG3 . GLN A1 1 54 ? -15.81 17.431 -28.7 1.0 53.52 ? 54 A 7 -ATOM 830 H HE21 . GLN A1 1 54 ? -17.723 17.954 -30.752 1.0 45.55 ? 54 A 7 -ATOM 831 H HE22 . GLN A1 1 54 ? -18.219 19.6 -30.585 1.0 62.42 ? 54 A 7 -ATOM 832 N N . LEU A1 1 55 ? -12.533 17.071 -27.084 1.0 51.34 ? 55 A 7 -ATOM 833 C CA . LEU A1 1 55 ? -11.361 16.369 -26.571 1.0 40.45 ? 55 A 7 -ATOM 834 C C . LEU A1 1 55 ? -10.943 15.246 -27.515 1.0 63.5 ? 55 A 7 -ATOM 835 O O . LEU A1 1 55 ? -11.757 14.401 -27.887 1.0 52.11 ? 55 A 7 -ATOM 836 C CB . LEU A1 1 55 ? -11.65 15.8 -25.181 1.0 25.03 ? 55 A 7 -ATOM 837 C CG . LEU A1 1 55 ? -12.203 16.789 -24.153 1.0 41.33 ? 55 A 7 -ATOM 838 C CD1 . LEU A1 1 55 ? -12.328 16.127 -22.79 1.0 33.24 ? 55 A 7 -ATOM 839 C CD2 . LEU A1 1 55 ? -11.318 18.023 -24.071 1.0 52.23 ? 55 A 7 -ATOM 840 H H . LEU A1 1 55 ? -13.382 16.589 -27.16 1.0 12.34 ? 55 A 7 -ATOM 841 H HA . LEU A1 1 55 ? -10.553 17.081 -26.499 1.0 22.21 ? 55 A 7 -ATOM 842 H HB2 . LEU A1 1 55 ? -12.369 15.003 -25.292 1.0 55.1 ? 55 A 7 -ATOM 843 H HB3 . LEU A1 1 55 ? -10.726 15.398 -24.79 1.0 51.11 ? 55 A 7 -ATOM 844 H HG . LEU A1 1 55 ? -13.191 17.104 -24.462 1.0 72.12 ? 55 A 7 -ATOM 845 H HD11 . LEU A1 1 55 ? -12.198 16.869 -22.017 1.0 32.04 ? 55 A 7 -ATOM 846 H HD12 . LEU A1 1 55 ? -11.569 15.365 -22.689 1.0 44.35 ? 55 A 7 -ATOM 847 H HD13 . LEU A1 1 55 ? -13.305 15.676 -22.696 1.0 32.21 ? 55 A 7 -ATOM 848 H HD21 . LEU A1 1 55 ? -10.339 17.741 -23.712 1.0 33.14 ? 55 A 7 -ATOM 849 H HD22 . LEU A1 1 55 ? -11.759 18.737 -23.391 1.0 72.01 ? 55 A 7 -ATOM 850 H HD23 . LEU A1 1 55 ? -11.228 18.468 -25.051 1.0 74.33 ? 55 A 7 -ATOM 851 N N . GLU A1 1 56 ? -9.67 15.243 -27.897 1.0 12.02 ? 56 A 7 -ATOM 852 C CA . GLU A1 1 56 ? -9.145 14.223 -28.796 1.0 31.33 ? 56 A 7 -ATOM 853 C C . GLU A1 1 56 ? -9.161 12.85 -28.131 1.0 62.51 ? 56 A 7 -ATOM 854 O O . GLU A1 1 56 ? -9.572 12.712 -26.978 1.0 51.02 ? 56 A 7 -ATOM 855 C CB . GLU A1 1 56 ? -7.719 14.576 -29.227 1.0 62.01 ? 56 A 7 -ATOM 856 C CG . GLU A1 1 56 ? -7.578 15.991 -29.762 1.0 21.02 ? 56 A 7 -ATOM 857 C CD . GLU A1 1 56 ? -6.163 16.307 -30.207 1.0 1.0 ? 56 A 7 -ATOM 858 O OE1 . GLU A1 1 56 ? -5.31 15.396 -30.161 1.0 61.34 ? 56 A 7 -ATOM 859 O OE2 . GLU A1 1 56 ? -5.909 17.465 -30.599 1.0 22.01 ? 56 A 7 -ATOM 860 H H . GLU A1 1 56 ? -9.07 15.944 -27.566 1.0 72.43 ? 56 A 7 -ATOM 861 H HA . GLU A1 1 56 ? -9.778 14.194 -29.67 1.0 4.21 ? 56 A 7 -ATOM 862 H HB2 . GLU A1 1 56 ? -7.062 14.467 -28.377 1.0 41.11 ? 56 A 7 -ATOM 863 H HB3 . GLU A1 1 56 ? -7.41 13.888 -30.0 1.0 51.02 ? 56 A 7 -ATOM 864 H HG2 . GLU A1 1 56 ? -8.239 16.11 -30.607 1.0 71.31 ? 56 A 7 -ATOM 865 H HG3 . GLU A1 1 56 ? -7.859 16.686 -28.985 1.0 60.44 ? 56 A 7 -ATOM 866 N N . ASP A1 1 57 ? -8.713 11.838 -28.865 1.0 71.03 ? 57 A 7 -ATOM 867 C CA . ASP A1 1 57 ? -8.676 10.475 -28.346 1.0 63.41 ? 57 A 7 -ATOM 868 C C . ASP A1 1 57 ? -7.57 10.319 -27.307 1.0 21.4 ? 57 A 7 -ATOM 869 O O . ASP A1 1 57 ? -7.608 9.412 -26.476 1.0 43.31 ? 57 A 7 -ATOM 870 C CB . ASP A1 1 57 ? -8.465 9.478 -29.487 1.0 45.31 ? 57 A 7 -ATOM 871 C CG . ASP A1 1 57 ? -9.215 9.871 -30.745 1.0 55.43 ? 57 A 7 -ATOM 872 O OD1 . ASP A1 1 57 ? -10.337 10.405 -30.624 1.0 72.35 ? 57 A 7 -ATOM 873 O OD2 . ASP A1 1 57 ? -8.68 9.644 -31.851 1.0 15.11 ? 57 A 7 -ATOM 874 H H . ASP A1 1 57 ? -8.399 12.011 -29.777 1.0 23.12 ? 57 A 7 -ATOM 875 H HA . ASP A1 1 57 ? -9.626 10.273 -27.875 1.0 62.14 ? 57 A 7 -ATOM 876 H HB2 . ASP A1 1 57 ? -7.411 9.426 -29.721 1.0 24.44 ? 57 A 7 -ATOM 877 H HB3 . ASP A1 1 57 ? -8.809 8.504 -29.173 1.0 64.03 ? 57 A 7 -ATOM 878 N N . SER A1 1 58 ? -6.584 11.209 -27.361 1.0 32.51 ? 58 A 7 -ATOM 879 C CA . SER A1 1 58 ? -5.465 11.168 -26.428 1.0 62.24 ? 58 A 7 -ATOM 880 C C . SER A1 1 58 ? -5.519 12.346 -25.46 1.0 2.12 ? 58 A 7 -ATOM 881 O O . SER A1 1 58 ? -4.624 12.53 -24.638 1.0 12.21 ? 58 A 7 -ATOM 882 C CB . SER A1 1 58 ? -4.138 11.179 -27.189 1.0 65.11 ? 58 A 7 -ATOM 883 O OG . SER A1 1 58 ? -3.052 10.886 -26.327 1.0 34.21 ? 58 A 7 -ATOM 884 H H . SER A1 1 58 ? -6.61 11.909 -28.047 1.0 21.03 ? 58 A 7 -ATOM 885 H HA . SER A1 1 58 ? -5.538 10.25 -25.863 1.0 33.55 ? 58 A 7 -ATOM 886 H HB2 . SER A1 1 58 ? -4.169 10.439 -27.973 1.0 31.42 ? 58 A 7 -ATOM 887 H HB3 . SER A1 1 58 ? -3.984 12.157 -27.623 1.0 40.4 ? 58 A 7 -ATOM 888 H HG . SER A1 1 58 ? -2.424 10.321 -26.783 1.0 10.23 ? 58 A 7 -ATOM 889 N N . ASN A1 1 59 ? -6.578 13.142 -25.567 1.0 35.41 ? 59 A 7 -ATOM 890 C CA . ASN A1 1 59 ? -6.751 14.304 -24.703 1.0 52.34 ? 59 A 7 -ATOM 891 C C . ASN A1 1 59 ? -7.307 13.893 -23.343 1.0 4.01 ? 59 A 7 -ATOM 892 O O . ASN A1 1 59 ? -8.517 13.919 -23.122 1.0 42.21 ? 59 A 7 -ATOM 893 C CB . ASN A1 1 59 ? -7.686 15.321 -25.361 1.0 21.1 ? 59 A 7 -ATOM 894 C CG . ASN A1 1 59 ? -7.249 16.752 -25.114 1.0 14.54 ? 59 A 7 -ATOM 895 O OD1 . ASN A1 1 59 ? -6.06 17.032 -24.963 1.0 24.42 ? 59 A 7 -ATOM 896 N ND2 . ASN A1 1 59 ? -8.211 17.666 -25.073 1.0 14.44 ? 59 A 7 -ATOM 897 H H . ASN A1 1 59 ? -7.26 12.944 -26.243 1.0 5.51 ? 59 A 7 -ATOM 898 H HA . ASN A1 1 59 ? -5.782 14.758 -24.56 1.0 74.51 ? 59 A 7 -ATOM 899 H HB2 . ASN A1 1 59 ? -7.701 15.149 -26.428 1.0 43.43 ? 59 A 7 -ATOM 900 H HB3 . ASN A1 1 59 ? -8.682 15.195 -24.966 1.0 11.21 ? 59 A 7 -ATOM 901 H HD21 . ASN A1 1 59 ? -9.137 17.37 -25.202 1.0 21.33 ? 59 A 7 -ATOM 902 H HD22 . ASN A1 1 59 ? -7.957 18.599 -24.915 1.0 12.0 ? 59 A 7 -ATOM 903 N N . ALA A1 1 60 ? -6.413 13.514 -22.435 1.0 13.11 ? 60 A 7 -ATOM 904 C CA . ALA A1 1 60 ? -6.814 13.099 -21.096 1.0 35.51 ? 60 A 7 -ATOM 905 C C . ALA A1 1 60 ? -5.596 12.807 -20.225 1.0 74.01 ? 60 A 7 -ATOM 906 O O . ALA A1 1 60 ? -5.098 13.686 -19.523 1.0 74.24 ? 60 A 7 -ATOM 907 C CB . ALA A1 1 60 ? -7.718 11.878 -21.169 1.0 64.13 ? 60 A 7 -ATOM 908 H H . ALA A1 1 60 ? -5.462 13.514 -22.671 1.0 31.12 ? 60 A 7 -ATOM 909 H HA . ALA A1 1 60 ? -7.376 13.907 -20.65 1.0 20.01 ? 60 A 7 -ATOM 910 H HB1 . ALA A1 1 60 ? -7.261 11.131 -21.802 1.0 72.33 ? 60 A 7 -ATOM 911 H HB2 . ALA A1 1 60 ? -7.859 11.475 -20.178 1.0 25.02 ? 60 A 7 -ATOM 912 H HB3 . ALA A1 1 60 ? -8.674 12.163 -21.582 1.0 51.02 ? 60 A 7 -ATOM 913 N N . MET A1 1 61 ? -5.123 11.566 -20.275 1.0 21.52 ? 61 A 7 -ATOM 914 C CA . MET A1 1 61 ? -3.964 11.158 -19.491 1.0 32.03 ? 61 A 7 -ATOM 915 C C . MET A1 1 61 ? -2.798 12.118 -19.705 1.0 55.14 ? 61 A 7 -ATOM 916 O O . MET A1 1 61 ? -2.227 12.64 -18.747 1.0 73.23 ? 61 A 7 -ATOM 917 C CB . MET A1 1 61 ? -3.543 9.735 -19.864 1.0 33.12 ? 61 A 7 -ATOM 918 C CG . MET A1 1 61 ? -3.79 9.392 -21.324 1.0 10.31 ? 61 A 7 -ATOM 919 S SD . MET A1 1 61 ? -2.48 8.374 -22.029 1.0 3.45 ? 61 A 7 -ATOM 920 C CE . MET A1 1 61 ? -1.89 9.442 -23.341 1.0 11.34 ? 61 A 7 -ATOM 921 H H . MET A1 1 61 ? -5.563 10.909 -20.854 1.0 44.35 ? 61 A 7 -ATOM 922 H HA . MET A1 1 61 ? -4.245 11.179 -18.449 1.0 14.21 ? 61 A 7 -ATOM 923 H HB2 . MET A1 1 61 ? -2.489 9.62 -19.663 1.0 14.23 ? 61 A 7 -ATOM 924 H HB3 . MET A1 1 61 ? -4.097 9.037 -19.254 1.0 0.24 ? 61 A 7 -ATOM 925 H HG2 . MET A1 1 61 ? -4.724 8.855 -21.401 1.0 62.14 ? 61 A 7 -ATOM 926 H HG3 . MET A1 1 61 ? -3.858 10.31 -21.889 1.0 32.0 ? 61 A 7 -ATOM 927 H HE1 . MET A1 1 61 ? -1.615 8.842 -24.196 1.0 54.23 ? 61 A 7 -ATOM 928 H HE2 . MET A1 1 61 ? -2.671 10.132 -23.622 1.0 64.31 ? 61 A 7 -ATOM 929 H HE3 . MET A1 1 61 ? -1.028 9.993 -22.995 1.0 24.11 ? 61 A 7 -ATOM 930 N N . SER A1 1 62 ? -2.448 12.346 -20.967 1.0 73.15 ? 62 A 7 -ATOM 931 C CA . SER A1 1 62 ? -1.348 13.24 -21.306 1.0 12.22 ? 62 A 7 -ATOM 932 C C . SER A1 1 62 ? -1.765 14.699 -21.149 1.0 13.52 ? 62 A 7 -ATOM 933 O O . SER A1 1 62 ? -0.953 15.553 -20.792 1.0 42.51 ? 62 A 7 -ATOM 934 C CB . SER A1 1 62 ? -0.877 12.983 -22.739 1.0 62.33 ? 62 A 7 -ATOM 935 O OG . SER A1 1 62 ? -0.353 14.164 -23.323 1.0 14.13 ? 62 A 7 -ATOM 936 H H . SER A1 1 62 ? -2.942 11.9 -21.687 1.0 74.25 ? 62 A 7 -ATOM 937 H HA . SER A1 1 62 ? -0.533 13.036 -20.627 1.0 74.15 ? 62 A 7 -ATOM 938 H HB2 . SER A1 1 62 ? -0.107 12.227 -22.732 1.0 54.41 ? 62 A 7 -ATOM 939 H HB3 . SER A1 1 62 ? -1.712 12.642 -23.333 1.0 23.45 ? 62 A 7 -ATOM 940 H HG . SER A1 1 62 ? -0.832 14.36 -24.132 1.0 1.23 ? 62 A 7 -ATOM 941 N N . ASP A1 1 63 ? -3.036 14.977 -21.419 1.0 34.33 ? 63 A 7 -ATOM 942 C CA . ASP A1 1 63 ? -3.563 16.332 -21.308 1.0 10.21 ? 63 A 7 -ATOM 943 C C . ASP A1 1 63 ? -3.346 16.885 -19.903 1.0 63.54 ? 63 A 7 -ATOM 944 O O . ASP A1 1 63 ? -3.275 18.099 -19.707 1.0 31.33 ? 63 A 7 -ATOM 945 C CB . ASP A1 1 63 ? -5.052 16.352 -21.654 1.0 21.1 ? 63 A 7 -ATOM 946 C CG . ASP A1 1 63 ? -5.539 17.737 -22.033 1.0 12.2 ? 63 A 7 -ATOM 947 O OD1 . ASP A1 1 63 ? -4.781 18.471 -22.702 1.0 53.24 ? 63 A 7 -ATOM 948 O OD2 . ASP A1 1 63 ? -6.679 18.087 -21.662 1.0 3.13 ? 63 A 7 -ATOM 949 H H . ASP A1 1 63 ? -3.634 14.252 -21.7 1.0 14.4 ? 63 A 7 -ATOM 950 H HA . ASP A1 1 63 ? -3.031 16.954 -22.012 1.0 72.42 ? 63 A 7 -ATOM 951 H HB2 . ASP A1 1 63 ? -5.231 15.688 -22.487 1.0 63.34 ? 63 A 7 -ATOM 952 H HB3 . ASP A1 1 63 ? -5.618 16.012 -20.799 1.0 44.51 ? 63 A 7 -ATOM 953 N N . TYR A1 1 64 ? -3.244 15.988 -18.929 1.0 43.15 ? 64 A 7 -ATOM 954 C CA . TYR A1 1 64 ? -3.039 16.386 -17.541 1.0 74.44 ? 64 A 7 -ATOM 955 C C . TYR A1 1 64 ? -4.328 16.935 -16.936 1.0 35.31 ? 64 A 7 -ATOM 956 O O . TYR A1 1 64 ? -4.304 17.632 -15.923 1.0 63.11 ? 64 A 7 -ATOM 957 C CB . TYR A1 1 64 ? -1.932 17.437 -17.448 1.0 41.31 ? 64 A 7 -ATOM 958 C CG . TYR A1 1 64 ? -1.237 17.468 -16.106 1.0 35.31 ? 64 A 7 -ATOM 959 C CD1 . TYR A1 1 64 ? -0.354 16.461 -15.736 1.0 10.21 ? 64 A 7 -ATOM 960 C CD2 . TYR A1 1 64 ? -1.464 18.503 -15.207 1.0 61.0 ? 64 A 7 -ATOM 961 C CE1 . TYR A1 1 64 ? 0.283 16.484 -14.51 1.0 31.32 ? 64 A 7 -ATOM 962 C CE2 . TYR A1 1 64 ? -0.831 18.535 -13.98 1.0 3.01 ? 64 A 7 -ATOM 963 C CZ . TYR A1 1 64 ? 0.041 17.523 -13.636 1.0 35.43 ? 64 A 7 -ATOM 964 O OH . TYR A1 1 64 ? 0.673 17.551 -12.413 1.0 23.32 ? 64 A 7 -ATOM 965 H H . TYR A1 1 64 ? -3.309 15.035 -19.147 1.0 10.22 ? 64 A 7 -ATOM 966 H HA . TYR A1 1 64 ? -2.738 15.51 -16.985 1.0 40.51 ? 64 A 7 -ATOM 967 H HB2 . TYR A1 1 64 ? -1.187 17.233 -18.202 1.0 75.32 ? 64 A 7 -ATOM 968 H HB3 . TYR A1 1 64 ? -2.357 18.415 -17.625 1.0 32.34 ? 64 A 7 -ATOM 969 H HD1 . TYR A1 1 64 ? -0.167 15.648 -16.422 1.0 1.35 ? 64 A 7 -ATOM 970 H HD2 . TYR A1 1 64 ? -2.148 19.293 -15.48 1.0 32.41 ? 64 A 7 -ATOM 971 H HE1 . TYR A1 1 64 ? 0.966 15.692 -14.24 1.0 52.21 ? 64 A 7 -ATOM 972 H HE2 . TYR A1 1 64 ? -1.02 19.348 -13.295 1.0 43.14 ? 64 A 7 -ATOM 973 H HH . TYR A1 1 64 ? 0.885 18.458 -12.184 1.0 23.33 ? 64 A 7 -ATOM 974 N N . ASN A1 1 65 ? -5.453 16.613 -17.566 1.0 61.21 ? 65 A 7 -ATOM 975 C CA . ASN A1 1 65 ? -6.753 17.072 -17.091 1.0 70.22 ? 65 A 7 -ATOM 976 C C . ASN A1 1 65 ? -7.554 15.918 -16.495 1.0 21.44 ? 65 A 7 -ATOM 977 O O . ASN A1 1 65 ? -8.765 16.022 -16.304 1.0 22.24 ? 65 A 7 -ATOM 978 C CB . ASN A1 1 65 ? -7.54 17.716 -18.235 1.0 30.31 ? 65 A 7 -ATOM 979 C CG . ASN A1 1 65 ? -8.783 18.435 -17.749 1.0 75.23 ? 65 A 7 -ATOM 980 O OD1 . ASN A1 1 65 ? -8.722 19.248 -16.827 1.0 74.2 ? 65 A 7 -ATOM 981 N ND2 . ASN A1 1 65 ? -9.919 18.139 -18.37 1.0 12.4 ? 65 A 7 -ATOM 982 H H . ASN A1 1 65 ? -5.409 16.053 -18.369 1.0 72.01 ? 65 A 7 -ATOM 983 H HA . ASN A1 1 65 ? -6.583 17.811 -16.323 1.0 43.44 ? 65 A 7 -ATOM 984 H HB2 . ASN A1 1 65 ? -6.907 18.431 -18.74 1.0 12.24 ? 65 A 7 -ATOM 985 H HB3 . ASN A1 1 65 ? -7.839 16.949 -18.934 1.0 73.02 ? 65 A 7 -ATOM 986 H HD21 . ASN A1 1 65 ? -9.891 17.481 -19.097 1.0 23.44 ? 65 A 7 -ATOM 987 H HD22 . ASN A1 1 65 ? -10.737 18.59 -18.077 1.0 32.24 ? 65 A 7 -ATOM 988 N N . VAL A1 1 66 ? -6.868 14.818 -16.203 1.0 11.4 ? 66 A 7 -ATOM 989 C CA . VAL A1 1 66 ? -7.513 13.644 -15.628 1.0 70.45 ? 66 A 7 -ATOM 990 C C . VAL A1 1 66 ? -7.239 13.544 -14.131 1.0 73.11 ? 66 A 7 -ATOM 991 O O . VAL A1 1 66 ? -6.303 12.868 -13.706 1.0 33.12 ? 66 A 7 -ATOM 992 C CB . VAL A1 1 66 ? -7.038 12.349 -16.313 1.0 40.11 ? 66 A 7 -ATOM 993 C CG1 . VAL A1 1 66 ? -5.519 12.302 -16.371 1.0 32.21 ? 66 A 7 -ATOM 994 C CG2 . VAL A1 1 66 ? -7.591 11.13 -15.59 1.0 25.13 ? 66 A 7 -ATOM 995 H H . VAL A1 1 66 ? -5.904 14.795 -16.379 1.0 25.31 ? 66 A 7 -ATOM 996 H HA . VAL A1 1 66 ? -8.578 13.739 -15.783 1.0 44.24 ? 66 A 7 -ATOM 997 H HB . VAL A1 1 66 ? -7.415 12.342 -17.325 1.0 65.05 ? 66 A 7 -ATOM 998 H HG11 . VAL A1 1 66 ? -5.189 12.562 -17.365 1.0 62.5 ? 66 A 7 -ATOM 999 H HG12 . VAL A1 1 66 ? -5.109 13.003 -15.658 1.0 4.5 ? 66 A 7 -ATOM 1000 H HG13 . VAL A1 1 66 ? -5.181 11.304 -16.129 1.0 12.32 ? 66 A 7 -ATOM 1001 H HG21 . VAL A1 1 66 ? -6.871 10.785 -14.863 1.0 23.4 ? 66 A 7 -ATOM 1002 H HG22 . VAL A1 1 66 ? -8.51 11.396 -15.088 1.0 64.2 ? 66 A 7 -ATOM 1003 H HG23 . VAL A1 1 66 ? -7.786 10.344 -16.305 1.0 74.31 ? 66 A 7 -ATOM 1004 N N . GLN A1 1 67 ? -8.062 14.222 -13.338 1.0 5.43 ? 67 A 7 -ATOM 1005 C CA . GLN A1 1 67 ? -7.907 14.21 -11.888 1.0 15.5 ? 67 A 7 -ATOM 1006 C C . GLN A1 1 67 ? -8.802 13.151 -11.254 1.0 62.54 ? 67 A 7 -ATOM 1007 O O . GLN A1 1 67 ? -9.491 12.405 -11.952 1.0 44.01 ? 67 A 7 -ATOM 1008 C CB . GLN A1 1 67 ? -8.235 15.586 -11.307 1.0 35.11 ? 67 A 7 -ATOM 1009 C CG . GLN A1 1 67 ? -9.607 16.104 -11.708 1.0 11.21 ? 67 A 7 -ATOM 1010 C CD . GLN A1 1 67 ? -9.947 17.427 -11.049 1.0 34.44 ? 67 A 7 -ATOM 1011 O OE1 . GLN A1 1 67 ? -9.556 17.685 -9.91 1.0 41.54 ? 67 A 7 -ATOM 1012 N NE2 . GLN A1 1 67 ? -10.679 18.274 -11.764 1.0 50.51 ? 67 A 7 -ATOM 1013 H H . GLN A1 1 67 ? -8.789 14.743 -13.736 1.0 54.23 ? 67 A 7 -ATOM 1014 H HA . GLN A1 1 67 ? -6.877 13.972 -11.667 1.0 21.13 ? 67 A 7 -ATOM 1015 H HB2 . GLN A1 1 67 ? -8.197 15.528 -10.23 1.0 61.05 ? 67 A 7 -ATOM 1016 H HB3 . GLN A1 1 67 ? -7.494 16.294 -11.648 1.0 21.05 ? 67 A 7 -ATOM 1017 H HG2 . GLN A1 1 67 ? -9.629 16.238 -12.779 1.0 63.24 ? 67 A 7 -ATOM 1018 H HG3 . GLN A1 1 67 ? -10.35 15.375 -11.422 1.0 63.02 ? 67 A 7 -ATOM 1019 H HE21 . GLN A1 1 67 ? -10.956 18.0 -12.664 1.0 0.12 ? 67 A 7 -ATOM 1020 H HE22 . GLN A1 1 67 ? -10.913 19.135 -11.362 1.0 72.41 ? 67 A 7 -ATOM 1021 N N . LYS A1 1 68 ? -8.789 13.089 -9.927 1.0 63.33 ? 68 A 7 -ATOM 1022 C CA . LYS A1 1 68 ? -9.6 12.121 -9.197 1.0 34.0 ? 68 A 7 -ATOM 1023 C C . LYS A1 1 68 ? -11.083 12.33 -9.483 1.0 33.21 ? 68 A 7 -ATOM 1024 O O . LYS A1 1 68 ? -11.866 11.38 -9.472 1.0 33.01 ? 68 A 7 -ATOM 1025 C CB . LYS A1 1 68 ? -9.338 12.236 -7.694 1.0 41.41 ? 68 A 7 -ATOM 1026 C CG . LYS A1 1 68 ? -9.867 11.059 -6.892 1.0 61.44 ? 68 A 7 -ATOM 1027 C CD . LYS A1 1 68 ? -9.097 9.785 -7.198 1.0 43.41 ? 68 A 7 -ATOM 1028 C CE . LYS A1 1 68 ? -7.779 9.736 -6.44 1.0 23.43 ? 68 A 7 -ATOM 1029 N NZ . LYS A1 1 68 ? -7.985 9.777 -4.965 1.0 52.05 ? 68 A 7 -ATOM 1030 H H . LYS A1 1 68 ? -8.219 13.71 -9.425 1.0 75.53 ? 68 A 7 -ATOM 1031 H HA . LYS A1 1 68 ? -9.317 11.134 -9.529 1.0 31.4 ? 68 A 7 -ATOM 1032 H HB2 . LYS A1 1 68 ? -8.272 12.306 -7.53 1.0 51.5 ? 68 A 7 -ATOM 1033 H HB3 . LYS A1 1 68 ? -9.809 13.136 -7.326 1.0 62.4 ? 68 A 7 -ATOM 1034 H HG2 . LYS A1 1 68 ? -9.773 11.28 -5.84 1.0 22.33 ? 68 A 7 -ATOM 1035 H HG3 . LYS A1 1 68 ? -10.908 10.907 -7.138 1.0 45.02 ? 68 A 7 -ATOM 1036 H HD2 . LYS A1 1 68 ? -9.696 8.935 -6.91 1.0 14.2 ? 68 A 7 -ATOM 1037 H HD3 . LYS A1 1 68 ? -8.894 9.743 -8.258 1.0 13.53 ? 68 A 7 -ATOM 1038 H HE2 . LYS A1 1 68 ? -7.265 8.823 -6.697 1.0 43.13 ? 68 A 7 -ATOM 1039 H HE3 . LYS A1 1 68 ? -7.177 10.583 -6.734 1.0 63.42 ? 68 A 7 -ATOM 1040 H HZ1 . LYS A1 1 68 ? -7.624 10.672 -4.579 1.0 1.54 ? 68 A 7 -ATOM 1041 H HZ2 . LYS A1 1 68 ? -7.481 8.988 -4.512 1.0 73.32 ? 68 A 7 -ATOM 1042 H HZ3 . LYS A1 1 68 ? -8.998 9.699 -4.744 1.0 23.44 ? 68 A 7 -ATOM 1043 N N . GLU A1 1 69 ? -11.463 13.578 -9.738 1.0 51.1 ? 69 A 7 -ATOM 1044 C CA . GLU A1 1 69 ? -12.853 13.91 -10.027 1.0 15.41 ? 69 A 7 -ATOM 1045 C C . GLU A1 1 69 ? -12.942 15.1 -10.978 1.0 20.25 ? 69 A 7 -ATOM 1046 O O . GLU A1 1 69 ? -13.22 16.223 -10.559 1.0 55.15 ? 69 A 7 -ATOM 1047 C CB . GLU A1 1 69 ? -13.606 14.22 -8.732 1.0 42.14 ? 69 A 7 -ATOM 1048 C CG . GLU A1 1 69 ? -12.851 15.149 -7.796 1.0 32.44 ? 69 A 7 -ATOM 1049 C CD . GLU A1 1 69 ? -13.776 16.009 -6.957 1.0 60.3 ? 69 A 7 -ATOM 1050 O OE1 . GLU A1 1 69 ? -14.421 16.914 -7.526 1.0 52.11 ? 69 A 7 -ATOM 1051 O OE2 . GLU A1 1 69 ? -13.853 15.778 -5.732 1.0 33.22 ? 69 A 7 -ATOM 1052 H H . GLU A1 1 69 ? -10.792 14.293 -9.732 1.0 51.55 ? 69 A 7 -ATOM 1053 H HA . GLU A1 1 69 ? -13.307 13.052 -10.5 1.0 21.13 ? 69 A 7 -ATOM 1054 H HB2 . GLU A1 1 69 ? -14.55 14.682 -8.981 1.0 70.35 ? 69 A 7 -ATOM 1055 H HB3 . GLU A1 1 69 ? -13.796 13.294 -8.21 1.0 25.14 ? 69 A 7 -ATOM 1056 H HG2 . GLU A1 1 69 ? -12.24 14.554 -7.135 1.0 60.54 ? 69 A 7 -ATOM 1057 H HG3 . GLU A1 1 69 ? -12.218 15.796 -8.385 1.0 2.43 ? 69 A 7 -ATOM 1058 N N . SER A1 1 70 ? -12.704 14.844 -12.261 1.0 51.41 ? 70 A 7 -ATOM 1059 C CA . SER A1 1 70 ? -12.753 15.894 -13.271 1.0 50.24 ? 70 A 7 -ATOM 1060 C C . SER A1 1 70 ? -14.137 15.971 -13.909 1.0 72.1 ? 70 A 7 -ATOM 1061 O O . SER A1 1 70 ? -14.682 14.963 -14.36 1.0 13.02 ? 70 A 7 -ATOM 1062 C CB . SER A1 1 70 ? -11.696 15.645 -14.348 1.0 75.43 ? 70 A 7 -ATOM 1063 O OG . SER A1 1 70 ? -11.012 16.841 -14.679 1.0 45.33 ? 70 A 7 -ATOM 1064 H H . SER A1 1 70 ? -12.488 13.928 -12.533 1.0 42.55 ? 70 A 7 -ATOM 1065 H HA . SER A1 1 70 ? -12.542 16.834 -12.783 1.0 61.25 ? 70 A 7 -ATOM 1066 H HB2 . SER A1 1 70 ? -10.979 14.924 -13.985 1.0 1.23 ? 70 A 7 -ATOM 1067 H HB3 . SER A1 1 70 ? -12.175 15.26 -15.237 1.0 50.33 ? 70 A 7 -ATOM 1068 H HG . SER A1 1 70 ? -11.646 17.504 -14.962 1.0 14.24 ? 70 A 7 -ATOM 1069 N N . THR A1 1 71 ? -14.701 17.174 -13.942 1.0 52.55 ? 71 A 7 -ATOM 1070 C CA . THR A1 1 71 ? -16.021 17.384 -14.523 1.0 43.33 ? 71 A 7 -ATOM 1071 C C . THR A1 1 71 ? -15.918 17.806 -15.984 1.0 63.44 ? 71 A 7 -ATOM 1072 O O . THR A1 1 71 ? -15.306 18.826 -16.305 1.0 13.52 ? 71 A 7 -ATOM 1073 C CB . THR A1 1 71 ? -16.813 18.452 -13.746 1.0 4.41 ? 71 A 7 -ATOM 1074 O OG1 . THR A1 1 71 ? -15.94 19.514 -13.344 1.0 4.41 ? 71 A 7 -ATOM 1075 C CG2 . THR A1 1 71 ? -17.48 17.846 -12.52 1.0 4.35 ? 71 A 7 -ATOM 1076 H H . THR A1 1 71 ? -14.216 17.938 -13.567 1.0 14.04 ? 71 A 7 -ATOM 1077 H HA . THR A1 1 71 ? -16.563 16.451 -14.465 1.0 24.13 ? 71 A 7 -ATOM 1078 H HB . THR A1 1 71 ? -17.58 18.852 -14.394 1.0 70.41 ? 71 A 7 -ATOM 1079 H HG1 . THR A1 1 71 ? -16.393 20.079 -12.714 1.0 53.11 ? 71 A 7 -ATOM 1080 H HG21 . THR A1 1 71 ? -18.462 17.486 -12.787 1.0 12.42 ? 71 A 7 -ATOM 1081 H HG22 . THR A1 1 71 ? -17.57 18.598 -11.75 1.0 75.2 ? 71 A 7 -ATOM 1082 H HG23 . THR A1 1 71 ? -16.882 17.025 -12.154 1.0 31.12 ? 71 A 7 -ATOM 1083 N N . LEU A1 1 72 ? -16.521 17.018 -16.867 1.0 74.32 ? 72 A 7 -ATOM 1084 C CA . LEU A1 1 72 ? -16.498 17.311 -18.296 1.0 62.12 ? 72 A 7 -ATOM 1085 C C . LEU A1 1 72 ? -17.891 17.172 -18.902 1.0 14.1 ? 72 A 7 -ATOM 1086 O O . LEU A1 1 72 ? -18.724 16.415 -18.404 1.0 22.33 ? 72 A 7 -ATOM 1087 C CB . LEU A1 1 72 ? -15.522 16.376 -19.012 1.0 54.24 ? 72 A 7 -ATOM 1088 C CG . LEU A1 1 72 ? -16.108 15.064 -19.534 1.0 12.34 ? 72 A 7 -ATOM 1089 C CD1 . LEU A1 1 72 ? -16.482 15.192 -21.002 1.0 71.53 ? 72 A 7 -ATOM 1090 C CD2 . LEU A1 1 72 ? -15.124 13.921 -19.329 1.0 45.31 ? 72 A 7 -ATOM 1091 H H . LEU A1 1 72 ? -16.993 16.219 -16.551 1.0 40.44 ? 72 A 7 -ATOM 1092 H HA . LEU A1 1 72 ? -16.165 18.33 -18.419 1.0 22.23 ? 72 A 7 -ATOM 1093 H HB2 . LEU A1 1 72 ? -15.11 16.911 -19.854 1.0 24.33 ? 72 A 7 -ATOM 1094 H HB3 . LEU A1 1 72 ? -14.729 16.134 -18.319 1.0 64.44 ? 72 A 7 -ATOM 1095 H HG . LEU A1 1 72 ? -17.009 14.835 -18.98 1.0 60.22 ? 72 A 7 -ATOM 1096 H HD11 . LEU A1 1 72 ? -15.907 15.988 -21.451 1.0 22.12 ? 72 A 7 -ATOM 1097 H HD12 . LEU A1 1 72 ? -17.535 15.416 -21.088 1.0 11.12 ? 72 A 7 -ATOM 1098 H HD13 . LEU A1 1 72 ? -16.269 14.263 -21.51 1.0 74.11 ? 72 A 7 -ATOM 1099 H HD21 . LEU A1 1 72 ? -15.403 13.089 -19.958 1.0 45.11 ? 72 A 7 -ATOM 1100 H HD22 . LEU A1 1 72 ? -15.142 13.613 -18.294 1.0 64.51 ? 72 A 7 -ATOM 1101 H HD23 . LEU A1 1 72 ? -14.129 14.253 -19.589 1.0 15.53 ? 72 A 7 -ATOM 1102 N N . HIS A1 1 73 ? -18.136 17.906 -19.983 1.0 22.1 ? 73 A 7 -ATOM 1103 C CA . HIS A1 1 73 ? -19.427 17.863 -20.66 1.0 43.22 ? 73 A 7 -ATOM 1104 C C . HIS A1 1 73 ? -19.386 16.905 -21.846 1.0 1.12 ? 73 A 7 -ATOM 1105 O O . HIS A1 1 73 ? -18.591 17.078 -22.771 1.0 41.41 ? 73 A 7 -ATOM 1106 C CB . HIS A1 1 73 ? -19.826 19.262 -21.132 1.0 34.11 ? 73 A 7 -ATOM 1107 C CG . HIS A1 1 73 ? -20.201 20.187 -20.016 1.0 25.31 ? 73 A 7 -ATOM 1108 N ND1 . HIS A1 1 73 ? -21.267 21.058 -20.087 1.0 22.31 ? 73 A 7 -ATOM 1109 C CD2 . HIS A1 1 73 ? -19.646 20.372 -18.795 1.0 30.12 ? 73 A 7 -ATOM 1110 C CE1 . HIS A1 1 73 ? -21.351 21.741 -18.959 1.0 74.03 ? 73 A 7 -ATOM 1111 N NE2 . HIS A1 1 73 ? -20.379 21.343 -18.158 1.0 22.32 ? 73 A 7 -ATOM 1112 H H . HIS A1 1 73 ? -17.432 18.491 -20.333 1.0 41.1 ? 73 A 7 -ATOM 1113 H HA . HIS A1 1 73 ? -20.161 17.509 -19.952 1.0 23.25 ? 73 A 7 -ATOM 1114 H HB2 . HIS A1 1 73 ? -18.997 19.704 -21.665 1.0 51.13 ? 73 A 7 -ATOM 1115 H HB3 . HIS A1 1 73 ? -20.674 19.182 -21.797 1.0 64.13 ? 73 A 7 -ATOM 1116 H HD1 . HIS A1 1 73 ? -21.872 21.162 -20.851 1.0 63.31 ? 73 A 7 -ATOM 1117 H HD2 . HIS A1 1 73 ? -18.786 19.853 -18.396 1.0 71.43 ? 73 A 7 -ATOM 1118 H HE1 . HIS A1 1 73 ? -22.088 22.495 -18.729 1.0 3.34 ? 73 A 7 -ATOM 1119 N N . LEU A1 1 74 ? -20.248 15.894 -21.814 1.0 31.4 ? 74 A 7 -ATOM 1120 C CA . LEU A1 1 74 ? -20.31 14.907 -22.886 1.0 41.22 ? 74 A 7 -ATOM 1121 C C . LEU A1 1 74 ? -21.574 15.089 -23.721 1.0 21.0 ? 74 A 7 -ATOM 1122 O O . LEU A1 1 74 ? -22.689 14.964 -23.214 1.0 70.53 ? 74 A 7 -ATOM 1123 C CB . LEU A1 1 74 ? -20.267 13.492 -22.307 1.0 42.32 ? 74 A 7 -ATOM 1124 C CG . LEU A1 1 74 ? -20.883 12.393 -23.174 1.0 13.02 ? 74 A 7 -ATOM 1125 C CD1 . LEU A1 1 74 ? -20.164 12.301 -24.51 1.0 50.12 ? 74 A 7 -ATOM 1126 C CD2 . LEU A1 1 74 ? -20.84 11.056 -22.449 1.0 22.4 ? 74 A 7 -ATOM 1127 H H . LEU A1 1 74 ? -20.856 15.808 -21.051 1.0 53.04 ? 74 A 7 -ATOM 1128 H HA . LEU A1 1 74 ? -19.449 15.053 -23.522 1.0 65.43 ? 74 A 7 -ATOM 1129 H HB2 . LEU A1 1 74 ? -19.233 13.236 -22.135 1.0 22.02 ? 74 A 7 -ATOM 1130 H HB3 . LEU A1 1 74 ? -20.795 13.506 -21.364 1.0 20.31 ? 74 A 7 -ATOM 1131 H HG . LEU A1 1 74 ? -21.919 12.635 -23.369 1.0 34.12 ? 74 A 7 -ATOM 1132 H HD11 . LEU A1 1 74 ? -20.154 11.274 -24.843 1.0 33.01 ? 74 A 7 -ATOM 1133 H HD12 . LEU A1 1 74 ? -19.149 12.653 -24.398 1.0 1.34 ? 74 A 7 -ATOM 1134 H HD13 . LEU A1 1 74 ? -20.678 12.912 -25.238 1.0 63.14 ? 74 A 7 -ATOM 1135 H HD21 . LEU A1 1 74 ? -19.828 10.681 -22.445 1.0 12.32 ? 74 A 7 -ATOM 1136 H HD22 . LEU A1 1 74 ? -21.483 10.351 -22.956 1.0 54.43 ? 74 A 7 -ATOM 1137 H HD23 . LEU A1 1 74 ? -21.181 11.186 -21.432 1.0 14.02 ? 74 A 7 -ATOM 1138 N N . VAL A1 1 75 ? -21.392 15.384 -25.004 1.0 43.5 ? 75 A 7 -ATOM 1139 C CA . VAL A1 1 75 ? -22.517 15.58 -25.911 1.0 52.32 ? 75 A 7 -ATOM 1140 C C . VAL A1 1 75 ? -22.567 14.483 -26.969 1.0 61.15 ? 75 A 7 -ATOM 1141 O O . VAL A1 1 75 ? -21.555 14.156 -27.589 1.0 54.31 ? 75 A 7 -ATOM 1142 C CB . VAL A1 1 75 ? -22.442 16.95 -26.61 1.0 24.5 ? 75 A 7 -ATOM 1143 C CG1 . VAL A1 1 75 ? -23.649 17.156 -27.513 1.0 55.3 ? 75 A 7 -ATOM 1144 C CG2 . VAL A1 1 75 ? -22.337 18.067 -25.583 1.0 64.14 ? 75 A 7 -ATOM 1145 H H . VAL A1 1 75 ? -20.479 15.471 -25.35 1.0 70.11 ? 75 A 7 -ATOM 1146 H HA . VAL A1 1 75 ? -23.425 15.546 -25.327 1.0 60.52 ? 75 A 7 -ATOM 1147 H HB . VAL A1 1 75 ? -21.553 16.97 -27.224 1.0 44.41 ? 75 A 7 -ATOM 1148 H HG11 . VAL A1 1 75 ? -23.85 18.213 -27.609 1.0 31.54 ? 75 A 7 -ATOM 1149 H HG12 . VAL A1 1 75 ? -23.446 16.736 -28.487 1.0 61.34 ? 75 A 7 -ATOM 1150 H HG13 . VAL A1 1 75 ? -24.509 16.665 -27.081 1.0 54.52 ? 75 A 7 -ATOM 1151 H HG21 . VAL A1 1 75 ? -22.289 17.642 -24.592 1.0 5.24 ? 75 A 7 -ATOM 1152 H HG22 . VAL A1 1 75 ? -21.446 18.646 -25.772 1.0 61.35 ? 75 A 7 -ATOM 1153 H HG23 . VAL A1 1 75 ? -23.205 18.708 -25.658 1.0 24.43 ? 75 A 7 -ATOM 1154 N N . LEU A1 1 76 ? -23.753 13.919 -27.171 1.0 35.1 ? 76 A 7 -ATOM 1155 C CA . LEU A1 1 76 ? -23.937 12.858 -28.155 1.0 22.53 ? 76 A 7 -ATOM 1156 C C . LEU A1 1 76 ? -24.901 13.295 -29.253 1.0 2.14 ? 76 A 7 -ATOM 1157 O O . LEU A1 1 76 ? -25.926 13.921 -28.98 1.0 21.5 ? 76 A 7 -ATOM 1158 C CB . LEU A1 1 76 ? -24.46 11.591 -27.477 1.0 73.12 ? 76 A 7 -ATOM 1159 C CG . LEU A1 1 76 ? -24.23 11.493 -25.968 1.0 64.45 ? 76 A 7 -ATOM 1160 C CD1 . LEU A1 1 76 ? -25.42 12.059 -25.21 1.0 24.13 ? 76 A 7 -ATOM 1161 C CD2 . LEU A1 1 76 ? -23.972 10.05 -25.56 1.0 22.03 ? 76 A 7 -ATOM 1162 H H . LEU A1 1 76 ? -24.523 14.221 -26.647 1.0 44.32 ? 76 A 7 -ATOM 1163 H HA . LEU A1 1 76 ? -22.975 12.648 -28.6 1.0 53.04 ? 76 A 7 -ATOM 1164 H HB2 . LEU A1 1 76 ? -25.523 11.536 -27.653 1.0 71.31 ? 76 A 7 -ATOM 1165 H HB3 . LEU A1 1 76 ? -23.975 10.744 -27.942 1.0 62.14 ? 76 A 7 -ATOM 1166 H HG . LEU A1 1 76 ? -23.359 12.077 -25.705 1.0 42.11 ? 76 A 7 -ATOM 1167 H HD11 . LEU A1 1 76 ? -25.415 11.682 -24.198 1.0 12.14 ? 76 A 7 -ATOM 1168 H HD12 . LEU A1 1 76 ? -26.335 11.761 -25.7 1.0 23.21 ? 76 A 7 -ATOM 1169 H HD13 . LEU A1 1 76 ? -25.357 13.137 -25.193 1.0 40.2 ? 76 A 7 -ATOM 1170 H HD21 . LEU A1 1 76 ? -24.557 9.814 -24.684 1.0 53.24 ? 76 A 7 -ATOM 1171 H HD22 . LEU A1 1 76 ? -22.923 9.922 -25.339 1.0 72.02 ? 76 A 7 -ATOM 1172 H HD23 . LEU A1 1 76 ? -24.252 9.392 -26.37 1.0 63.4 ? 76 A 7 -ATOM 1173 N N . ARG A1 1 77 ? -24.567 12.961 -30.495 1.0 50.44 ? 77 A 7 -ATOM 1174 C CA . ARG A1 1 77 ? -25.404 13.318 -31.634 1.0 12.4 ? 77 A 7 -ATOM 1175 C C . ARG A1 1 77 ? -26.52 12.297 -31.83 1.0 10.32 ? 77 A 7 -ATOM 1176 O O . ARG A1 1 77 ? -26.672 11.727 -32.912 1.0 12.43 ? 77 A 7 -ATOM 1177 C CB . ARG A1 1 77 ? -24.558 13.415 -32.905 1.0 55.35 ? 77 A 7 -ATOM 1178 C CG . ARG A1 1 77 ? -23.165 13.976 -32.669 1.0 12.22 ? 77 A 7 -ATOM 1179 C CD . ARG A1 1 77 ? -23.216 15.296 -31.916 1.0 60.22 ? 77 A 7 -ATOM 1180 N NE . ARG A1 1 77 ? -24.244 16.188 -32.445 1.0 64.33 ? 77 A 7 -ATOM 1181 C CZ . ARG A1 1 77 ? -24.098 16.9 -33.557 1.0 13.31 ? 77 A 7 -ATOM 1182 N NH1 . ARG A1 1 77 ? -22.972 16.825 -34.253 1.0 63.3 ? 77 A 7 -ATOM 1183 N NH2 . ARG A1 1 77 ? -25.079 17.69 -33.974 1.0 70.54 ? 77 A 7 -ATOM 1184 H H . ARG A1 1 77 ? -23.737 12.462 -30.65 1.0 2.41 ? 77 A 7 -ATOM 1185 H HA . ARG A1 1 77 ? -25.845 14.283 -31.432 1.0 53.23 ? 77 A 7 -ATOM 1186 H HB2 . ARG A1 1 77 ? -24.456 12.428 -33.333 1.0 41.04 ? 77 A 7 -ATOM 1187 H HB3 . ARG A1 1 77 ? -25.064 14.054 -33.613 1.0 23.23 ? 77 A 7 -ATOM 1188 H HG2 . ARG A1 1 77 ? -22.594 13.265 -32.089 1.0 3.21 ? 77 A 7 -ATOM 1189 H HG3 . ARG A1 1 77 ? -22.684 14.133 -33.623 1.0 45.32 ? 77 A 7 -ATOM 1190 H HD2 . ARG A1 1 77 ? -23.429 15.094 -30.877 1.0 24.22 ? 77 A 7 -ATOM 1191 H HD3 . ARG A1 1 77 ? -22.255 15.78 -31.999 1.0 55.12 ? 77 A 7 -ATOM 1192 H HE . ARG A1 1 77 ? -25.084 16.259 -31.946 1.0 41.44 ? 77 A 7 -ATOM 1193 H HH11 . ARG A1 1 77 ? -22.232 16.23 -33.941 1.0 31.24 ? 77 A 7 -ATOM 1194 H HH12 . ARG A1 1 77 ? -22.865 17.361 -35.091 1.0 72.5 ? 77 A 7 -ATOM 1195 H HH21 . ARG A1 1 77 ? -25.929 17.749 -33.452 1.0 71.34 ? 77 A 7 -ATOM 1196 H HH22 . ARG A1 1 77 ? -24.968 18.225 -34.811 1.0 1.44 ? 77 A 7 -ATOM 1197 N N . LEU A1 1 78 ? -27.299 12.07 -30.778 1.0 31.03 ? 78 A 7 -ATOM 1198 C CA . LEU A1 1 78 ? -28.402 11.118 -30.834 1.0 51.32 ? 78 A 7 -ATOM 1199 C C . LEU A1 1 78 ? -29.675 11.787 -31.342 1.0 14.11 ? 78 A 7 -ATOM 1200 O O . LEU A1 1 78 ? -30.289 11.325 -32.304 1.0 12.31 ? 78 A 7 -ATOM 1201 C CB . LEU A1 1 78 ? -28.649 10.512 -29.451 1.0 42.51 ? 78 A 7 -ATOM 1202 C CG . LEU A1 1 78 ? -27.889 9.222 -29.138 1.0 51.45 ? 78 A 7 -ATOM 1203 C CD1 . LEU A1 1 78 ? -26.397 9.414 -29.359 1.0 14.44 ? 78 A 7 -ATOM 1204 C CD2 . LEU A1 1 78 ? -28.165 8.774 -27.71 1.0 25.32 ? 78 A 7 -ATOM 1205 H H . LEU A1 1 78 ? -27.129 12.555 -29.944 1.0 75.31 ? 78 A 7 -ATOM 1206 H HA . LEU A1 1 78 ? -28.125 10.33 -31.518 1.0 64.2 ? 78 A 7 -ATOM 1207 H HB2 . LEU A1 1 78 ? -28.368 11.248 -28.713 1.0 61.14 ? 78 A 7 -ATOM 1208 H HB3 . LEU A1 1 78 ? -29.706 10.304 -29.365 1.0 62.32 ? 78 A 7 -ATOM 1209 H HG . LEU A1 1 78 ? -28.228 8.442 -29.806 1.0 53.42 ? 78 A 7 -ATOM 1210 H HD11 . LEU A1 1 78 ? -25.848 8.811 -28.652 1.0 3.24 ? 78 A 7 -ATOM 1211 H HD12 . LEU A1 1 78 ? -26.143 10.454 -29.219 1.0 74.14 ? 78 A 7 -ATOM 1212 H HD13 . LEU A1 1 78 ? -26.141 9.114 -30.365 1.0 11.41 ? 78 A 7 -ATOM 1213 H HD21 . LEU A1 1 78 ? -28.539 9.609 -27.136 1.0 65.32 ? 78 A 7 -ATOM 1214 H HD22 . LEU A1 1 78 ? -27.251 8.41 -27.264 1.0 65.43 ? 78 A 7 -ATOM 1215 H HD23 . LEU A1 1 78 ? -28.901 7.983 -27.717 1.0 34.04 ? 78 A 7 -ATOM 1216 N N . ARG A1 1 79 ? -30.064 12.879 -30.692 1.0 44.5 ? 79 A 7 -ATOM 1217 C CA . ARG A1 1 79 ? -31.263 13.612 -31.079 1.0 54.44 ? 79 A 7 -ATOM 1218 C C . ARG A1 1 79 ? -32.505 12.739 -30.932 1.0 43.43 ? 79 A 7 -ATOM 1219 O O . ARG A1 1 79 ? -33.389 12.75 -31.788 1.0 24.23 ? 79 A 7 -ATOM 1220 C CB . ARG A1 1 79 ? -31.141 14.106 -32.522 1.0 53.1 ? 79 A 7 -ATOM 1221 C CG . ARG A1 1 79 ? -32.179 15.15 -32.899 1.0 62.42 ? 79 A 7 -ATOM 1222 C CD . ARG A1 1 79 ? -31.555 16.528 -33.047 1.0 15.2 ? 79 A 7 -ATOM 1223 N NE . ARG A1 1 79 ? -31.466 16.942 -34.445 1.0 22.21 ? 79 A 7 -ATOM 1224 C CZ . ARG A1 1 79 ? -31.287 18.201 -34.829 1.0 43.33 ? 79 A 7 -ATOM 1225 N NH1 . ARG A1 1 79 ? -31.177 19.164 -33.924 1.0 51.34 ? 79 A 7 -ATOM 1226 N NH2 . ARG A1 1 79 ? -31.216 18.498 -36.12 1.0 24.34 ? 79 A 7 -ATOM 1227 H H . ARG A1 1 79 ? -29.532 13.198 -29.933 1.0 30.43 ? 79 A 7 -ATOM 1228 H HA . ARG A1 1 79 ? -31.356 14.465 -30.423 1.0 75.12 ? 79 A 7 -ATOM 1229 H HB2 . ARG A1 1 79 ? -30.161 14.538 -32.661 1.0 72.51 ? 79 A 7 -ATOM 1230 H HB3 . ARG A1 1 79 ? -31.251 13.263 -33.188 1.0 62.3 ? 79 A 7 -ATOM 1231 H HG2 . ARG A1 1 79 ? -32.633 14.87 -33.838 1.0 34.21 ? 79 A 7 -ATOM 1232 H HG3 . ARG A1 1 79 ? -32.934 15.187 -32.128 1.0 51.44 ? 79 A 7 -ATOM 1233 H HD2 . ARG A1 1 79 ? -32.159 17.242 -32.508 1.0 21.42 ? 79 A 7 -ATOM 1234 H HD3 . ARG A1 1 79 ? -30.561 16.506 -32.624 1.0 24.22 ? 79 A 7 -ATOM 1235 H HE . ARG A1 1 79 ? -31.544 16.246 -35.13 1.0 63.2 ? 79 A 7 -ATOM 1236 H HH11 . ARG A1 1 79 ? -31.229 18.943 -32.951 1.0 0.03 ? 79 A 7 -ATOM 1237 H HH12 . ARG A1 1 79 ? -31.041 20.111 -34.216 1.0 54.33 ? 79 A 7 -ATOM 1238 H HH21 . ARG A1 1 79 ? -31.298 17.774 -36.805 1.0 72.3 ? 79 A 7 -ATOM 1239 H HH22 . ARG A1 1 79 ? -31.082 19.446 -36.408 1.0 2.44 ? 79 A 7 -ATOM 1240 N N . GLY A1 1 80 ? -32.566 11.983 -29.84 1.0 11.03 ? 80 A 7 -ATOM 1241 C CA . GLY A1 1 80 ? -33.703 11.115 -29.601 1.0 3.12 ? 80 A 7 -ATOM 1242 C C . GLY A1 1 80 ? -33.571 10.328 -28.312 1.0 52.34 ? 80 A 7 -ATOM 1243 O O . GLY A1 1 80 ? -34.547 10.143 -27.586 1.0 43.44 ? 80 A 7 -ATOM 1244 H H . GLY A1 1 80 ? -31.832 12.016 -29.191 1.0 0.24 ? 80 A 7 -ATOM 1245 H HA2 . GLY A1 1 80 ? -34.598 11.717 -29.553 1.0 71.24 ? 80 A 7 -ATOM 1246 H HA3 . GLY A1 1 80 ? -33.792 10.422 -30.424 1.0 43.14 ? 80 A 7 -ATOM 1247 N N . GLY A1 1 81 ? -32.359 9.861 -28.027 1.0 43.34 ? 81 A 7 -ATOM 1248 C CA . GLY A1 1 81 ? -32.126 9.093 -26.818 1.0 20.2 ? 81 A 7 -ATOM 1249 C C . GLY A1 1 81 ? -31.794 7.642 -27.107 1.0 63.23 ? 81 A 7 -ATOM 1250 O O . GLY A1 1 81 ? -31.766 7.223 -28.264 1.0 30.24 ? 81 A 7 -ATOM 1251 H H . GLY A1 1 81 ? -31.618 10.039 -28.643 1.0 11.33 ? 81 A 7 -ATOM 1252 H HA2 . GLY A1 1 81 ? -31.305 9.537 -26.275 1.0 30.51 ? 81 A 7 -ATOM 1253 H HA3 . GLY A1 1 81 ? -33.014 9.131 -26.204 1.0 55.14 ? 81 A 7 -ATOM 1254 N N . VAL A1 1 82 ? -31.541 6.873 -26.053 1.0 30.52 ? 82 A 7 -ATOM 1255 C CA . VAL A1 1 82 ? -31.209 5.461 -26.199 1.0 4.45 ? 82 A 7 -ATOM 1256 C C . VAL A1 1 82 ? -32.332 4.702 -26.899 1.0 63.52 ? 82 A 7 -ATOM 1257 O O . VAL A1 1 82 ? -33.308 5.298 -27.353 1.0 12.52 ? 82 A 7 -ATOM 1258 C CB . VAL A1 1 82 ? -30.935 4.804 -24.833 1.0 53.54 ? 82 A 7 -ATOM 1259 C CG1 . VAL A1 1 82 ? -29.684 5.395 -24.199 1.0 33.31 ? 82 A 7 -ATOM 1260 C CG2 . VAL A1 1 82 ? -32.136 4.966 -23.914 1.0 1.13 ? 82 A 7 -ATOM 1261 H H . VAL A1 1 82 ? -31.58 7.264 -25.156 1.0 42.11 ? 82 A 7 -ATOM 1262 H HA . VAL A1 1 82 ? -30.312 5.389 -26.797 1.0 65.12 ? 82 A 7 -ATOM 1263 H HB . VAL A1 1 82 ? -30.768 3.749 -24.991 1.0 3.02 ? 82 A 7 -ATOM 1264 H HG11 . VAL A1 1 82 ? -29.66 6.46 -24.376 1.0 71.54 ? 82 A 7 -ATOM 1265 H HG12 . VAL A1 1 82 ? -29.696 5.205 -23.136 1.0 43.52 ? 82 A 7 -ATOM 1266 H HG13 . VAL A1 1 82 ? -28.809 4.938 -24.637 1.0 60.31 ? 82 A 7 -ATOM 1267 H HG21 . VAL A1 1 82 ? -31.939 4.472 -22.974 1.0 51.1 ? 82 A 7 -ATOM 1268 H HG22 . VAL A1 1 82 ? -32.316 6.016 -23.739 1.0 43.42 ? 82 A 7 -ATOM 1269 H HG23 . VAL A1 1 82 ? -33.006 4.524 -24.377 1.0 61.21 ? 82 A 7 -ATOM 1 N N . GLY A1 1 1 ? -14.994 2.906 -5.788 1.0 13.0 ? 1 A 8 -ATOM 2 C CA . GLY A1 1 1 ? -13.766 2.647 -6.517 1.0 45.03 ? 1 A 8 -ATOM 3 C C . GLY A1 1 1 ? -12.638 2.195 -5.61 1.0 65.21 ? 1 A 8 -ATOM 4 O O . GLY A1 1 1 ? -11.701 2.943 -5.33 1.0 33.34 ? 1 A 8 -ATOM 5 H H1 . GLY A1 1 1 ? -15.137 3.779 -5.367 1.0 52.4 ? 1 A 8 -ATOM 6 H HA2 . GLY A1 1 1 ? -13.952 1.879 -7.253 1.0 14.15 ? 1 A 8 -ATOM 7 H HA3 . GLY A1 1 1 ? -13.464 3.552 -7.023 1.0 34.23 ? 1 A 8 -ATOM 8 N N . PRO A1 1 2 ? -12.721 0.945 -5.133 1.0 55.32 ? 2 A 8 -ATOM 9 C CA . PRO A1 1 2 ? -11.708 0.367 -4.245 1.0 21.43 ? 2 A 8 -ATOM 10 C C . PRO A1 1 2 ? -10.387 0.11 -4.961 1.0 41.45 ? 2 A 8 -ATOM 11 O O . PRO A1 1 2 ? -9.331 0.037 -4.331 1.0 62.42 ? 2 A 8 -ATOM 12 C CB . PRO A1 1 2 ? -12.34 -0.954 -3.799 1.0 51.45 ? 2 A 8 -ATOM 13 C CG . PRO A1 1 2 ? -13.29 -1.308 -4.89 1.0 43.11 ? 2 A 8 -ATOM 14 C CD . PRO A1 1 2 ? -13.81 -0.002 -5.425 1.0 64.14 ? 2 A 8 -ATOM 15 H HA . PRO A1 1 2 ? -11.533 0.993 -3.383 1.0 31.54 ? 2 A 8 -ATOM 16 H HB2 . PRO A1 1 2 ? -11.57 -1.704 -3.686 1.0 42.4 ? 2 A 8 -ATOM 17 H HB3 . PRO A1 1 2 ? -12.853 -0.813 -2.859 1.0 62.54 ? 2 A 8 -ATOM 18 H HG2 . PRO A1 1 2 ? -12.772 -1.851 -5.666 1.0 3.22 ? 2 A 8 -ATOM 19 H HG3 . PRO A1 1 2 ? -14.101 -1.9 -4.493 1.0 51.14 ? 2 A 8 -ATOM 20 H HD2 . PRO A1 1 2 ? -13.985 -0.073 -6.489 1.0 11.0 ? 2 A 8 -ATOM 21 H HD3 . PRO A1 1 2 ? -14.716 0.282 -4.91 1.0 24.12 ? 2 A 8 -ATOM 22 N N . LEU A1 1 3 ? -10.452 -0.026 -6.281 1.0 34.12 ? 3 A 8 -ATOM 23 C CA . LEU A1 1 3 ? -9.26 -0.274 -7.084 1.0 54.03 ? 3 A 8 -ATOM 24 C C . LEU A1 1 3 ? -9.241 0.619 -8.321 1.0 63.21 ? 3 A 8 -ATOM 25 O O . LEU A1 1 3 ? -10.205 0.659 -9.085 1.0 11.24 ? 3 A 8 -ATOM 26 C CB . LEU A1 1 3 ? -9.199 -1.744 -7.501 1.0 60.12 ? 3 A 8 -ATOM 27 C CG . LEU A1 1 3 ? -7.97 -2.162 -8.311 1.0 64.13 ? 3 A 8 -ATOM 28 C CD1 . LEU A1 1 3 ? -6.911 -2.765 -7.402 1.0 62.25 ? 3 A 8 -ATOM 29 C CD2 . LEU A1 1 3 ? -8.361 -3.146 -9.404 1.0 0.12 ? 3 A 8 -ATOM 30 H H . LEU A1 1 3 ? -11.322 0.042 -6.727 1.0 52.35 ? 3 A 8 -ATOM 31 H HA . LEU A1 1 3 ? -8.397 -0.044 -6.477 1.0 43.13 ? 3 A 8 -ATOM 32 H HB2 . LEU A1 1 3 ? -9.222 -2.343 -6.604 1.0 74.24 ? 3 A 8 -ATOM 33 H HB3 . LEU A1 1 3 ? -10.076 -1.955 -8.096 1.0 72.41 ? 3 A 8 -ATOM 34 H HG . LEU A1 1 3 ? -7.545 -1.287 -8.784 1.0 43.5 ? 3 A 8 -ATOM 35 H HD11 . LEU A1 1 3 ? -6.884 -3.835 -7.541 1.0 50.45 ? 3 A 8 -ATOM 36 H HD12 . LEU A1 1 3 ? -7.151 -2.541 -6.373 1.0 4.34 ? 3 A 8 -ATOM 37 H HD13 . LEU A1 1 3 ? -5.946 -2.345 -7.646 1.0 54.42 ? 3 A 8 -ATOM 38 H HD21 . LEU A1 1 3 ? -7.497 -3.375 -10.008 1.0 23.33 ? 3 A 8 -ATOM 39 H HD22 . LEU A1 1 3 ? -9.13 -2.709 -10.024 1.0 1.01 ? 3 A 8 -ATOM 40 H HD23 . LEU A1 1 3 ? -8.737 -4.054 -8.953 1.0 75.24 ? 3 A 8 -ATOM 41 N N . GLY A1 1 4 ? -8.135 1.332 -8.514 1.0 4.21 ? 4 A 8 -ATOM 42 C CA . GLY A1 1 4 ? -8.011 2.212 -9.661 1.0 43.34 ? 4 A 8 -ATOM 43 C C . GLY A1 1 4 ? -7.108 3.398 -9.386 1.0 32.24 ? 4 A 8 -ATOM 44 O O . GLY A1 1 4 ? -6.836 3.725 -8.231 1.0 73.31 ? 4 A 8 -ATOM 45 H H . GLY A1 1 4 ? -7.398 1.259 -7.872 1.0 2.13 ? 4 A 8 -ATOM 46 H HA2 . GLY A1 1 4 ? -7.607 1.65 -10.49 1.0 53.5 ? 4 A 8 -ATOM 47 H HA3 . GLY A1 1 4 ? -8.992 2.576 -9.929 1.0 61.41 ? 4 A 8 -ATOM 48 N N . SER A1 1 5 ? -6.642 4.044 -10.45 1.0 14.33 ? 5 A 8 -ATOM 49 C CA . SER A1 1 5 ? -5.76 5.198 -10.318 1.0 12.42 ? 5 A 8 -ATOM 50 C C . SER A1 1 5 ? -6.545 6.437 -9.898 1.0 43.22 ? 5 A 8 -ATOM 51 O O . SER A1 1 5 ? -6.487 6.86 -8.744 1.0 33.52 ? 5 A 8 -ATOM 52 C CB . SER A1 1 5 ? -5.032 5.464 -11.637 1.0 72.02 ? 5 A 8 -ATOM 53 O OG . SER A1 1 5 ? -4.703 6.836 -11.77 1.0 21.35 ? 5 A 8 -ATOM 54 H H . SER A1 1 5 ? -6.895 3.735 -11.345 1.0 31.12 ? 5 A 8 -ATOM 55 H HA . SER A1 1 5 ? -5.031 4.972 -9.554 1.0 12.32 ? 5 A 8 -ATOM 56 H HB2 . SER A1 1 5 ? -4.123 4.884 -11.667 1.0 41.01 ? 5 A 8 -ATOM 57 H HB3 . SER A1 1 5 ? -5.67 5.177 -12.461 1.0 74.13 ? 5 A 8 -ATOM 58 H HG . SER A1 1 5 ? -3.91 7.026 -11.264 1.0 33.45 ? 5 A 8 -ATOM 59 N N . MET A1 1 6 ? -7.279 7.013 -10.844 1.0 14.01 ? 6 A 8 -ATOM 60 C CA . MET A1 1 6 ? -8.077 8.203 -10.573 1.0 54.33 ? 6 A 8 -ATOM 61 C C . MET A1 1 6 ? -9.509 8.021 -11.066 1.0 31.44 ? 6 A 8 -ATOM 62 O O . MET A1 1 6 ? -9.881 6.945 -11.534 1.0 1.11 ? 6 A 8 -ATOM 63 C CB . MET A1 1 6 ? -7.448 9.428 -11.24 1.0 70.21 ? 6 A 8 -ATOM 64 C CG . MET A1 1 6 ? -7.524 9.4 -12.758 1.0 25.05 ? 6 A 8 -ATOM 65 S SD . MET A1 1 6 ? -5.927 9.071 -13.527 1.0 3.44 ? 6 A 8 -ATOM 66 C CE . MET A1 1 6 ? -4.948 10.416 -12.864 1.0 13.21 ? 6 A 8 -ATOM 67 H H . MET A1 1 6 ? -7.284 6.63 -11.746 1.0 2.32 ? 6 A 8 -ATOM 68 H HA . MET A1 1 6 ? -8.093 8.355 -9.504 1.0 5.22 ? 6 A 8 -ATOM 69 H HB2 . MET A1 1 6 ? -7.958 10.314 -10.892 1.0 62.43 ? 6 A 8 -ATOM 70 H HB3 . MET A1 1 6 ? -6.408 9.485 -10.954 1.0 63.34 ? 6 A 8 -ATOM 71 H HG2 . MET A1 1 6 ? -8.217 8.628 -13.057 1.0 33.13 ? 6 A 8 -ATOM 72 H HG3 . MET A1 1 6 ? -7.884 10.357 -13.104 1.0 12.41 ? 6 A 8 -ATOM 73 H HE1 . MET A1 1 6 ? -4.068 10.556 -13.476 1.0 12.23 ? 6 A 8 -ATOM 74 H HE2 . MET A1 1 6 ? -5.534 11.322 -12.863 1.0 52.54 ? 6 A 8 -ATOM 75 H HE3 . MET A1 1 6 ? -4.649 10.179 -11.853 1.0 2.41 ? 6 A 8 -ATOM 76 N N . GLN A1 1 7 ? -10.307 9.078 -10.956 1.0 13.12 ? 7 A 8 -ATOM 77 C CA . GLN A1 1 7 ? -11.698 9.033 -11.39 1.0 13.2 ? 7 A 8 -ATOM 78 C C . GLN A1 1 7 ? -12.086 10.319 -12.111 1.0 42.42 ? 7 A 8 -ATOM 79 O O . GLN A1 1 7 ? -11.481 11.37 -11.895 1.0 71.33 ? 7 A 8 -ATOM 80 C CB . GLN A1 1 7 ? -12.621 8.808 -10.191 1.0 42.01 ? 7 A 8 -ATOM 81 C CG . GLN A1 1 7 ? -14.015 8.338 -10.576 1.0 12.34 ? 7 A 8 -ATOM 82 C CD . GLN A1 1 7 ? -14.338 6.961 -10.029 1.0 44.31 ? 7 A 8 -ATOM 83 O OE1 . GLN A1 1 7 ? -14.814 6.088 -10.756 1.0 33.44 ? 7 A 8 -ATOM 84 N NE2 . GLN A1 1 7 ? -14.081 6.76 -8.742 1.0 73.32 ? 7 A 8 -ATOM 85 H H . GLN A1 1 7 ? -9.952 9.907 -10.575 1.0 71.21 ? 7 A 8 -ATOM 86 H HA . GLN A1 1 7 ? -11.805 8.205 -12.075 1.0 62.03 ? 7 A 8 -ATOM 87 H HB2 . GLN A1 1 7 ? -12.179 8.063 -9.546 1.0 13.25 ? 7 A 8 -ATOM 88 H HB3 . GLN A1 1 7 ? -12.716 9.735 -9.646 1.0 41.42 ? 7 A 8 -ATOM 89 H HG2 . GLN A1 1 7 ? -14.738 9.041 -10.189 1.0 43.33 ? 7 A 8 -ATOM 90 H HG3 . GLN A1 1 7 ? -14.086 8.307 -11.653 1.0 33.21 ? 7 A 8 -ATOM 91 H HE21 . GLN A1 1 7 ? -13.703 7.502 -8.225 1.0 52.01 ? 7 A 8 -ATOM 92 H HE22 . GLN A1 1 7 ? -14.281 5.88 -8.362 1.0 55.43 ? 7 A 8 -ATOM 93 N N . ILE A1 1 8 ? -13.098 10.23 -12.968 1.0 12.12 ? 8 A 8 -ATOM 94 C CA . ILE A1 1 8 ? -13.566 11.387 -13.72 1.0 64.2 ? 8 A 8 -ATOM 95 C C . ILE A1 1 8 ? -15.09 11.435 -13.762 1.0 0.33 ? 8 A 8 -ATOM 96 O O . ILE A1 1 8 ? -15.757 10.404 -13.682 1.0 11.35 ? 8 A 8 -ATOM 97 C CB . ILE A1 1 8 ? -13.024 11.38 -15.161 1.0 65.34 ? 8 A 8 -ATOM 98 C CG1 . ILE A1 1 8 ? -12.068 10.202 -15.363 1.0 72.33 ? 8 A 8 -ATOM 99 C CG2 . ILE A1 1 8 ? -12.325 12.695 -15.471 1.0 55.24 ? 8 A 8 -ATOM 100 C CD1 . ILE A1 1 8 ? -11.617 10.029 -16.796 1.0 11.02 ? 8 A 8 -ATOM 101 H H . ILE A1 1 8 ? -13.54 9.365 -13.096 1.0 43.45 ? 8 A 8 -ATOM 102 H HA . ILE A1 1 8 ? -13.203 12.276 -13.224 1.0 41.41 ? 8 A 8 -ATOM 103 H HB . ILE A1 1 8 ? -13.859 11.276 -15.836 1.0 13.24 ? 8 A 8 -ATOM 104 H HG12 . ILE A1 1 8 ? -11.189 10.352 -14.755 1.0 4.11 ? 8 A 8 -ATOM 105 H HG13 . ILE A1 1 8 ? -12.561 9.291 -15.057 1.0 33.41 ? 8 A 8 -ATOM 106 H HG21 . ILE A1 1 8 ? -13.064 13.453 -15.686 1.0 12.11 ? 8 A 8 -ATOM 107 H HG22 . ILE A1 1 8 ? -11.737 13.0 -14.618 1.0 14.43 ? 8 A 8 -ATOM 108 H HG23 . ILE A1 1 8 ? -11.68 12.568 -16.326 1.0 53.13 ? 8 A 8 -ATOM 109 H HD11 . ILE A1 1 8 ? -11.908 10.896 -17.372 1.0 4.51 ? 8 A 8 -ATOM 110 H HD12 . ILE A1 1 8 ? -10.542 9.924 -16.826 1.0 22.53 ? 8 A 8 -ATOM 111 H HD13 . ILE A1 1 8 ? -12.078 9.148 -17.215 1.0 32.23 ? 8 A 8 -ATOM 112 N N . PHE A1 1 9 ? -15.635 12.64 -13.892 1.0 44.42 ? 9 A 8 -ATOM 113 C CA . PHE A1 1 9 ? -17.081 12.824 -13.946 1.0 45.42 ? 9 A 8 -ATOM 114 C C . PHE A1 1 9 ? -17.524 13.234 -15.348 1.0 62.05 ? 9 A 8 -ATOM 115 O O . PHE A1 1 9 ? -17.014 14.2 -15.915 1.0 33.13 ? 9 A 8 -ATOM 116 C CB . PHE A1 1 9 ? -17.521 13.88 -12.931 1.0 42.3 ? 9 A 8 -ATOM 117 C CG . PHE A1 1 9 ? -18.317 13.317 -11.788 1.0 44.44 ? 9 A 8 -ATOM 118 C CD1 . PHE A1 1 9 ? -19.464 12.575 -12.024 1.0 24.21 ? 9 A 8 -ATOM 119 C CD2 . PHE A1 1 9 ? -17.92 13.53 -10.478 1.0 24.11 ? 9 A 8 -ATOM 120 C CE1 . PHE A1 1 9 ? -20.199 12.056 -10.975 1.0 54.33 ? 9 A 8 -ATOM 121 C CE2 . PHE A1 1 9 ? -18.65 13.013 -9.425 1.0 62.43 ? 9 A 8 -ATOM 122 C CZ . PHE A1 1 9 ? -19.792 12.276 -9.674 1.0 72.21 ? 9 A 8 -ATOM 123 H H . PHE A1 1 9 ? -15.051 13.426 -13.951 1.0 15.35 ? 9 A 8 -ATOM 124 H HA . PHE A1 1 9 ? -17.543 11.881 -13.697 1.0 72.15 ? 9 A 8 -ATOM 125 H HB2 . PHE A1 1 9 ? -16.646 14.36 -12.52 1.0 13.22 ? 9 A 8 -ATOM 126 H HB3 . PHE A1 1 9 ? -18.131 14.617 -13.43 1.0 20.44 ? 9 A 8 -ATOM 127 H HD1 . PHE A1 1 9 ? -19.783 12.403 -13.042 1.0 63.23 ? 9 A 8 -ATOM 128 H HD2 . PHE A1 1 9 ? -17.028 14.107 -10.282 1.0 43.5 ? 9 A 8 -ATOM 129 H HE1 . PHE A1 1 9 ? -21.09 11.48 -11.173 1.0 53.21 ? 9 A 8 -ATOM 130 H HE2 . PHE A1 1 9 ? -18.33 13.187 -8.408 1.0 61.25 ? 9 A 8 -ATOM 131 H HZ . PHE A1 1 9 ? -20.364 11.87 -8.853 1.0 11.33 ? 9 A 8 -ATOM 132 N N . VAL A1 1 10 ? -18.478 12.491 -15.901 1.0 35.51 ? 10 A 8 -ATOM 133 C CA . VAL A1 1 10 ? -18.992 12.776 -17.235 1.0 51.35 ? 10 A 8 -ATOM 134 C C . VAL A1 1 10 ? -20.446 13.232 -17.179 1.0 20.3 ? 10 A 8 -ATOM 135 O O . VAL A1 1 10 ? -21.29 12.578 -16.566 1.0 33.54 ? 10 A 8 -ATOM 136 C CB . VAL A1 1 10 ? -18.887 11.543 -18.152 1.0 1.24 ? 10 A 8 -ATOM 137 C CG1 . VAL A1 1 10 ? -18.92 11.961 -19.615 1.0 43.55 ? 10 A 8 -ATOM 138 C CG2 . VAL A1 1 10 ? -17.623 10.755 -17.843 1.0 70.41 ? 10 A 8 -ATOM 139 H H . VAL A1 1 10 ? -18.846 11.734 -15.399 1.0 13.11 ? 10 A 8 -ATOM 140 H HA . VAL A1 1 10 ? -18.393 13.568 -17.662 1.0 52.2 ? 10 A 8 -ATOM 141 H HB . VAL A1 1 10 ? -19.739 10.906 -17.964 1.0 21.21 ? 10 A 8 -ATOM 142 H HG11 . VAL A1 1 10 ? -18.491 11.177 -20.222 1.0 75.22 ? 10 A 8 -ATOM 143 H HG12 . VAL A1 1 10 ? -19.942 12.135 -19.917 1.0 54.41 ? 10 A 8 -ATOM 144 H HG13 . VAL A1 1 10 ? -18.347 12.868 -19.743 1.0 61.31 ? 10 A 8 -ATOM 145 H HG21 . VAL A1 1 10 ? -17.239 10.318 -18.752 1.0 13.24 ? 10 A 8 -ATOM 146 H HG22 . VAL A1 1 10 ? -16.882 11.417 -17.42 1.0 62.44 ? 10 A 8 -ATOM 147 H HG23 . VAL A1 1 10 ? -17.852 9.972 -17.135 1.0 2.35 ? 10 A 8 -ATOM 148 N N . LYS A1 1 11 ? -20.732 14.359 -17.822 1.0 23.3 ? 11 A 8 -ATOM 149 C CA . LYS A1 1 11 ? -22.085 14.903 -17.848 1.0 10.31 ? 11 A 8 -ATOM 150 C C . LYS A1 1 11 ? -22.72 14.717 -19.222 1.0 22.12 ? 11 A 8 -ATOM 151 O O . LYS A1 1 11 ? -22.291 15.324 -20.204 1.0 63.21 ? 11 A 8 -ATOM 152 C CB . LYS A1 1 11 ? -22.066 16.388 -17.48 1.0 34.41 ? 11 A 8 -ATOM 153 C CG . LYS A1 1 11 ? -23.377 17.102 -17.763 1.0 63.11 ? 11 A 8 -ATOM 154 C CD . LYS A1 1 11 ? -23.3 18.575 -17.399 1.0 3.15 ? 11 A 8 -ATOM 155 C CE . LYS A1 1 11 ? -22.963 19.432 -18.609 1.0 2.52 ? 11 A 8 -ATOM 156 N NZ . LYS A1 1 11 ? -23.086 20.885 -18.311 1.0 51.12 ? 11 A 8 -ATOM 157 H H . LYS A1 1 11 ? -20.016 14.836 -18.293 1.0 4.15 ? 11 A 8 -ATOM 158 H HA . LYS A1 1 11 ? -22.672 14.367 -17.118 1.0 44.21 ? 11 A 8 -ATOM 159 H HB2 . LYS A1 1 11 ? -21.849 16.483 -16.426 1.0 75.01 ? 11 A 8 -ATOM 160 H HB3 . LYS A1 1 11 ? -21.285 16.877 -18.045 1.0 15.43 ? 11 A 8 -ATOM 161 H HG2 . LYS A1 1 11 ? -23.604 17.014 -18.815 1.0 73.24 ? 11 A 8 -ATOM 162 H HG3 . LYS A1 1 11 ? -24.161 16.637 -17.183 1.0 30.03 ? 11 A 8 -ATOM 163 H HD2 . LYS A1 1 11 ? -24.254 18.889 -17.004 1.0 63.51 ? 11 A 8 -ATOM 164 H HD3 . LYS A1 1 11 ? -22.535 18.711 -16.647 1.0 61.22 ? 11 A 8 -ATOM 165 H HE2 . LYS A1 1 11 ? -21.949 19.22 -18.913 1.0 70.24 ? 11 A 8 -ATOM 166 H HE3 . LYS A1 1 11 ? -23.64 19.179 -19.412 1.0 3.13 ? 11 A 8 -ATOM 167 H HZ1 . LYS A1 1 11 ? -23.942 21.064 -17.748 1.0 1.34 ? 11 A 8 -ATOM 168 H HZ2 . LYS A1 1 11 ? -23.146 21.428 -19.197 1.0 61.44 ? 11 A 8 -ATOM 169 H HZ3 . LYS A1 1 11 ? -22.256 21.211 -17.775 1.0 12.11 ? 11 A 8 -ATOM 170 N N . THR A1 1 12 ? -23.746 13.874 -19.285 1.0 60.33 ? 12 A 8 -ATOM 171 C CA . THR A1 1 12 ? -24.441 13.608 -20.539 1.0 63.11 ? 12 A 8 -ATOM 172 C C . THR A1 1 12 ? -25.332 14.78 -20.933 1.0 63.2 ? 12 A 8 -ATOM 173 O O . THR A1 1 12 ? -25.657 15.632 -20.104 1.0 23.14 ? 12 A 8 -ATOM 174 C CB . THR A1 1 12 ? -25.3 12.333 -20.445 1.0 13.53 ? 12 A 8 -ATOM 175 O OG1 . THR A1 1 12 ? -26.385 12.539 -19.534 1.0 44.22 ? 12 A 8 -ATOM 176 C CG2 . THR A1 1 12 ? -24.464 11.149 -19.986 1.0 44.25 ? 12 A 8 -ATOM 177 H H . THR A1 1 12 ? -24.041 13.42 -18.469 1.0 50.31 ? 12 A 8 -ATOM 178 H HA . THR A1 1 12 ? -23.696 13.46 -21.308 1.0 15.31 ? 12 A 8 -ATOM 179 H HB . THR A1 1 12 ? -25.7 12.114 -21.425 1.0 3.11 ? 12 A 8 -ATOM 180 H HG1 . THR A1 1 12 ? -26.977 11.784 -19.564 1.0 54.01 ? 12 A 8 -ATOM 181 H HG21 . THR A1 1 12 ? -23.417 11.372 -20.126 1.0 54.24 ? 12 A 8 -ATOM 182 H HG22 . THR A1 1 12 ? -24.726 10.276 -20.565 1.0 51.32 ? 12 A 8 -ATOM 183 H HG23 . THR A1 1 12 ? -24.654 10.958 -18.94 1.0 74.05 ? 12 A 8 -ATOM 184 N N . LEU A1 1 13 ? -25.725 14.819 -22.201 1.0 74.21 ? 13 A 8 -ATOM 185 C CA . LEU A1 1 13 ? -26.58 15.887 -22.705 1.0 74.52 ? 13 A 8 -ATOM 186 C C . LEU A1 1 13 ? -27.897 15.939 -21.937 1.0 25.21 ? 13 A 8 -ATOM 187 O O . LEU A1 1 13 ? -28.598 16.951 -21.951 1.0 11.35 ? 13 A 8 -ATOM 188 C CB . LEU A1 1 13 ? -26.854 15.687 -24.197 1.0 31.51 ? 13 A 8 -ATOM 189 C CG . LEU A1 1 13 ? -27.511 16.862 -24.922 1.0 30.32 ? 13 A 8 -ATOM 190 C CD1 . LEU A1 1 13 ? -26.677 17.283 -26.122 1.0 44.31 ? 13 A 8 -ATOM 191 C CD2 . LEU A1 1 13 ? -28.925 16.499 -25.354 1.0 64.01 ? 13 A 8 -ATOM 192 H H . LEU A1 1 13 ? -25.433 14.112 -22.814 1.0 42.02 ? 13 A 8 -ATOM 193 H HA . LEU A1 1 13 ? -26.059 16.823 -22.566 1.0 34.1 ? 13 A 8 -ATOM 194 H HB2 . LEU A1 1 13 ? -25.911 15.485 -24.682 1.0 62.11 ? 13 A 8 -ATOM 195 H HB3 . LEU A1 1 13 ? -27.502 14.828 -24.301 1.0 43.21 ? 13 A 8 -ATOM 196 H HG . LEU A1 1 13 ? -27.573 17.705 -24.247 1.0 45.4 ? 13 A 8 -ATOM 197 H HD11 . LEU A1 1 13 ? -26.822 18.336 -26.309 1.0 62.23 ? 13 A 8 -ATOM 198 H HD12 . LEU A1 1 13 ? -26.983 16.717 -26.989 1.0 23.44 ? 13 A 8 -ATOM 199 H HD13 . LEU A1 1 13 ? -25.633 17.093 -25.919 1.0 25.55 ? 13 A 8 -ATOM 200 H HD21 . LEU A1 1 13 ? -29.312 15.727 -24.706 1.0 62.14 ? 13 A 8 -ATOM 201 H HD22 . LEU A1 1 13 ? -28.908 16.14 -26.373 1.0 41.34 ? 13 A 8 -ATOM 202 H HD23 . LEU A1 1 13 ? -29.556 17.373 -25.291 1.0 51.42 ? 13 A 8 -ATOM 203 N N . THR A1 1 14 ? -28.227 14.841 -21.265 1.0 31.41 ? 14 A 8 -ATOM 204 C CA . THR A1 1 14 ? -29.459 14.761 -20.49 1.0 30.33 ? 14 A 8 -ATOM 205 C C . THR A1 1 14 ? -29.217 15.136 -19.032 1.0 22.13 ? 14 A 8 -ATOM 206 O O . THR A1 1 14 ? -30.064 14.902 -18.171 1.0 5.31 ? 14 A 8 -ATOM 207 C CB . THR A1 1 14 ? -30.069 13.348 -20.549 1.0 34.54 ? 14 A 8 -ATOM 208 O OG1 . THR A1 1 14 ? -29.196 12.41 -19.91 1.0 3.22 ? 14 A 8 -ATOM 209 C CG2 . THR A1 1 14 ? -30.312 12.923 -21.99 1.0 34.11 ? 14 A 8 -ATOM 210 H H . THR A1 1 14 ? -27.627 14.066 -21.292 1.0 2.31 ? 14 A 8 -ATOM 211 H HA . THR A1 1 14 ? -30.168 15.455 -20.917 1.0 25.44 ? 14 A 8 -ATOM 212 H HB . THR A1 1 14 ? -31.016 13.359 -20.028 1.0 55.24 ? 14 A 8 -ATOM 213 H HG1 . THR A1 1 14 ? -29.603 11.54 -19.914 1.0 24.42 ? 14 A 8 -ATOM 214 H HG21 . THR A1 1 14 ? -29.537 12.238 -22.298 1.0 1.02 ? 14 A 8 -ATOM 215 H HG22 . THR A1 1 14 ? -30.297 13.793 -22.629 1.0 12.23 ? 14 A 8 -ATOM 216 H HG23 . THR A1 1 14 ? -31.273 12.437 -22.065 1.0 12.42 ? 14 A 8 -ATOM 217 N N . GLY A1 1 15 ? -28.054 15.722 -18.762 1.0 61.2 ? 15 A 8 -ATOM 218 C CA . GLY A1 1 15 ? -27.722 16.121 -17.407 1.0 25.44 ? 15 A 8 -ATOM 219 C C . GLY A1 1 15 ? -27.572 14.936 -16.473 1.0 2.34 ? 15 A 8 -ATOM 220 O O . GLY A1 1 15 ? -28.265 14.842 -15.46 1.0 24.03 ? 15 A 8 -ATOM 221 H H . GLY A1 1 15 ? -27.416 15.884 -19.489 1.0 73.22 ? 15 A 8 -ATOM 222 H HA2 . GLY A1 1 15 ? -26.794 16.673 -17.423 1.0 10.15 ? 15 A 8 -ATOM 223 H HA3 . GLY A1 1 15 ? -28.504 16.764 -17.031 1.0 23.53 ? 15 A 8 -ATOM 224 N N . LYS A1 1 16 ? -26.665 14.027 -16.815 1.0 11.21 ? 16 A 8 -ATOM 225 C CA . LYS A1 1 16 ? -26.425 12.841 -16.001 1.0 34.13 ? 16 A 8 -ATOM 226 C C . LYS A1 1 16 ? -24.968 12.772 -15.556 1.0 15.24 ? 16 A 8 -ATOM 227 O O . LYS A1 1 16 ? -24.057 12.71 -16.383 1.0 50.04 ? 16 A 8 -ATOM 228 C CB . LYS A1 1 16 ? -26.791 11.578 -16.784 1.0 31.42 ? 16 A 8 -ATOM 229 C CG . LYS A1 1 16 ? -27.351 10.465 -15.915 1.0 73.35 ? 16 A 8 -ATOM 230 C CD . LYS A1 1 16 ? -26.252 9.544 -15.412 1.0 50.3 ? 16 A 8 -ATOM 231 C CE . LYS A1 1 16 ? -25.633 8.743 -16.547 1.0 52.44 ? 16 A 8 -ATOM 232 N NZ . LYS A1 1 16 ? -25.993 7.301 -16.47 1.0 2.53 ? 16 A 8 -ATOM 233 H H . LYS A1 1 16 ? -26.143 14.158 -17.635 1.0 52.54 ? 16 A 8 -ATOM 234 H HA . LYS A1 1 16 ? -27.054 12.907 -15.126 1.0 34.34 ? 16 A 8 -ATOM 235 H HB2 . LYS A1 1 16 ? -27.531 11.832 -17.528 1.0 44.24 ? 16 A 8 -ATOM 236 H HB3 . LYS A1 1 16 ? -25.906 11.208 -17.28 1.0 12.13 ? 16 A 8 -ATOM 237 H HG2 . LYS A1 1 16 ? -27.855 10.902 -15.066 1.0 3.41 ? 16 A 8 -ATOM 238 H HG3 . LYS A1 1 16 ? -28.055 9.887 -16.496 1.0 74.14 ? 16 A 8 -ATOM 239 H HD2 . LYS A1 1 16 ? -25.481 10.139 -14.944 1.0 63.23 ? 16 A 8 -ATOM 240 H HD3 . LYS A1 1 16 ? -26.671 8.86 -14.687 1.0 14.51 ? 16 A 8 -ATOM 241 H HE2 . LYS A1 1 16 ? -25.985 9.143 -17.486 1.0 44.12 ? 16 A 8 -ATOM 242 H HE3 . LYS A1 1 16 ? -24.558 8.841 -16.495 1.0 75.31 ? 16 A 8 -ATOM 243 H HZ1 . LYS A1 1 16 ? -25.461 6.84 -15.704 1.0 61.55 ? 16 A 8 -ATOM 244 H HZ2 . LYS A1 1 16 ? -25.768 6.827 -17.368 1.0 23.15 ? 16 A 8 -ATOM 245 H HZ3 . LYS A1 1 16 ? -27.01 7.196 -16.281 1.0 43.23 ? 16 A 8 -ATOM 246 N N . THR A1 1 17 ? -24.753 12.781 -14.244 1.0 33.03 ? 17 A 8 -ATOM 247 C CA . THR A1 1 17 ? -23.407 12.719 -13.689 1.0 61.21 ? 17 A 8 -ATOM 248 C C . THR A1 1 17 ? -22.991 11.279 -13.416 1.0 13.11 ? 17 A 8 -ATOM 249 O O . THR A1 1 17 ? -23.624 10.579 -12.625 1.0 32.24 ? 17 A 8 -ATOM 250 C CB . THR A1 1 17 ? -23.3 13.529 -12.383 1.0 22.54 ? 17 A 8 -ATOM 251 O OG1 . THR A1 1 17 ? -24.603 13.737 -11.827 1.0 24.32 ? 17 A 8 -ATOM 252 C CG2 . THR A1 1 17 ? -22.629 14.871 -12.632 1.0 72.42 ? 17 A 8 -ATOM 253 H H . THR A1 1 17 ? -25.52 12.832 -13.636 1.0 63.53 ? 17 A 8 -ATOM 254 H HA . THR A1 1 17 ? -22.729 13.15 -14.411 1.0 15.15 ? 17 A 8 -ATOM 255 H HB . THR A1 1 17 ? -22.702 12.969 -11.678 1.0 61.22 ? 17 A 8 -ATOM 256 H HG1 . THR A1 1 17 ? -25.04 14.453 -12.295 1.0 54.0 ? 17 A 8 -ATOM 257 H HG21 . THR A1 1 17 ? -22.925 15.569 -11.863 1.0 31.34 ? 17 A 8 -ATOM 258 H HG22 . THR A1 1 17 ? -22.93 15.251 -13.597 1.0 12.24 ? 17 A 8 -ATOM 259 H HG23 . THR A1 1 17 ? -21.557 14.746 -12.612 1.0 74.01 ? 17 A 8 -ATOM 260 N N . ILE A1 1 18 ? -21.923 10.841 -14.076 1.0 21.15 ? 18 A 8 -ATOM 261 C CA . ILE A1 1 18 ? -21.422 9.484 -13.902 1.0 42.23 ? 18 A 8 -ATOM 262 C C . ILE A1 1 18 ? -19.938 9.486 -13.551 1.0 2.02 ? 18 A 8 -ATOM 263 O O . ILE A1 1 18 ? -19.17 10.305 -14.057 1.0 34.24 ? 18 A 8 -ATOM 264 C CB . ILE A1 1 18 ? -21.636 8.638 -15.171 1.0 20.13 ? 18 A 8 -ATOM 265 C CG1 . ILE A1 1 18 ? -20.911 7.296 -15.045 1.0 0.43 ? 18 A 8 -ATOM 266 C CG2 . ILE A1 1 18 ? -21.153 9.394 -16.4 1.0 34.34 ? 18 A 8 -ATOM 267 C CD1 . ILE A1 1 18 ? -21.195 6.346 -16.187 1.0 41.12 ? 18 A 8 -ATOM 268 H H . ILE A1 1 18 ? -21.462 11.446 -14.693 1.0 72.35 ? 18 A 8 -ATOM 269 H HA . ILE A1 1 18 ? -21.972 9.027 -13.092 1.0 33.1 ? 18 A 8 -ATOM 270 H HB . ILE A1 1 18 ? -22.695 8.458 -15.283 1.0 55.23 ? 18 A 8 -ATOM 271 H HG12 . ILE A1 1 18 ? -19.847 7.471 -15.017 1.0 35.45 ? 18 A 8 -ATOM 272 H HG13 . ILE A1 1 18 ? -21.218 6.815 -14.128 1.0 15.51 ? 18 A 8 -ATOM 273 H HG21 . ILE A1 1 18 ? -21.323 8.794 -17.282 1.0 31.24 ? 18 A 8 -ATOM 274 H HG22 . ILE A1 1 18 ? -21.696 10.323 -16.487 1.0 60.32 ? 18 A 8 -ATOM 275 H HG23 . ILE A1 1 18 ? -20.098 9.601 -16.303 1.0 71.44 ? 18 A 8 -ATOM 276 H HD11 . ILE A1 1 18 ? -20.266 6.065 -16.661 1.0 32.31 ? 18 A 8 -ATOM 277 H HD12 . ILE A1 1 18 ? -21.685 5.462 -15.807 1.0 60.24 ? 18 A 8 -ATOM 278 H HD13 . ILE A1 1 18 ? -21.835 6.831 -16.909 1.0 25.35 ? 18 A 8 -ATOM 279 N N . THR A1 1 19 ? -19.54 8.563 -12.682 1.0 42.32 ? 19 A 8 -ATOM 280 C CA . THR A1 1 19 ? -18.148 8.457 -12.263 1.0 41.24 ? 19 A 8 -ATOM 281 C C . THR A1 1 19 ? -17.492 7.209 -12.842 1.0 70.21 ? 19 A 8 -ATOM 282 O O . THR A1 1 19 ? -18.113 6.148 -12.916 1.0 44.42 ? 19 A 8 -ATOM 283 C CB . THR A1 1 19 ? -18.024 8.423 -10.728 1.0 2.4 ? 19 A 8 -ATOM 284 O OG1 . THR A1 1 19 ? -19.325 8.445 -10.131 1.0 22.32 ? 19 A 8 -ATOM 285 C CG2 . THR A1 1 19 ? -17.209 9.604 -10.224 1.0 13.14 ? 19 A 8 -ATOM 286 H H . THR A1 1 19 ? -20.199 7.938 -12.314 1.0 1.15 ? 19 A 8 -ATOM 287 H HA . THR A1 1 19 ? -17.623 9.329 -12.626 1.0 65.43 ? 19 A 8 -ATOM 288 H HB . THR A1 1 19 ? -17.521 7.51 -10.443 1.0 44.24 ? 19 A 8 -ATOM 289 H HG1 . THR A1 1 19 ? -19.717 7.569 -10.184 1.0 60.25 ? 19 A 8 -ATOM 290 H HG21 . THR A1 1 19 ? -17.851 10.466 -10.123 1.0 73.33 ? 19 A 8 -ATOM 291 H HG22 . THR A1 1 19 ? -16.42 9.824 -10.928 1.0 23.45 ? 19 A 8 -ATOM 292 H HG23 . THR A1 1 19 ? -16.779 9.361 -9.264 1.0 51.03 ? 19 A 8 -ATOM 293 N N . ILE A1 1 20 ? -16.235 7.342 -13.252 1.0 2.13 ? 20 A 8 -ATOM 294 C CA . ILE A1 1 20 ? -15.496 6.224 -13.824 1.0 23.24 ? 20 A 8 -ATOM 295 C C . ILE A1 1 20 ? -14.024 6.279 -13.428 1.0 21.51 ? 20 A 8 -ATOM 296 O O . ILE A1 1 20 ? -13.38 7.323 -13.536 1.0 3.54 ? 20 A 8 -ATOM 297 C CB . ILE A1 1 20 ? -15.603 6.204 -15.36 1.0 55.55 ? 20 A 8 -ATOM 298 C CG1 . ILE A1 1 20 ? -15.662 7.632 -15.907 1.0 1.5 ? 20 A 8 -ATOM 299 C CG2 . ILE A1 1 20 ? -16.827 5.413 -15.796 1.0 1.32 ? 20 A 8 -ATOM 300 C CD1 . ILE A1 1 20 ? -15.011 7.787 -17.264 1.0 2.4 ? 20 A 8 -ATOM 301 H H . ILE A1 1 20 ? -15.795 8.213 -13.168 1.0 32.52 ? 20 A 8 -ATOM 302 H HA . ILE A1 1 20 ? -15.927 5.31 -13.441 1.0 40.32 ? 20 A 8 -ATOM 303 H HB . ILE A1 1 20 ? -14.727 5.712 -15.753 1.0 75.22 ? 20 A 8 -ATOM 304 H HG12 . ILE A1 1 20 ? -16.693 7.934 -15.998 1.0 4.24 ? 20 A 8 -ATOM 305 H HG13 . ILE A1 1 20 ? -15.157 8.294 -15.219 1.0 20.02 ? 20 A 8 -ATOM 306 H HG21 . ILE A1 1 20 ? -17.631 6.095 -16.03 1.0 41.11 ? 20 A 8 -ATOM 307 H HG22 . ILE A1 1 20 ? -16.585 4.829 -16.671 1.0 51.34 ? 20 A 8 -ATOM 308 H HG23 . ILE A1 1 20 ? -17.134 4.755 -14.997 1.0 74.34 ? 20 A 8 -ATOM 309 H HD11 . ILE A1 1 20 ? -15.516 8.566 -17.818 1.0 44.23 ? 20 A 8 -ATOM 310 H HD12 . ILE A1 1 20 ? -13.972 8.052 -17.137 1.0 43.31 ? 20 A 8 -ATOM 311 H HD13 . ILE A1 1 20 ? -15.083 6.856 -17.806 1.0 23.14 ? 20 A 8 -ATOM 312 N N . ASP A1 1 21 ? -13.497 5.148 -12.972 1.0 44.41 ? 21 A 8 -ATOM 313 C CA . ASP A1 1 21 ? -12.1 5.066 -12.563 1.0 13.43 ? 21 A 8 -ATOM 314 C C . ASP A1 1 21 ? -11.193 4.839 -13.768 1.0 74.52 ? 21 A 8 -ATOM 315 O O . ASP A1 1 21 ? -11.41 3.918 -14.557 1.0 3.25 ? 21 A 8 -ATOM 316 C CB . ASP A1 1 21 ? -11.909 3.939 -11.546 1.0 40.32 ? 21 A 8 -ATOM 317 C CG . ASP A1 1 21 ? -12.341 2.59 -12.089 1.0 70.32 ? 21 A 8 -ATOM 318 O OD1 . ASP A1 1 21 ? -13.563 2.339 -12.147 1.0 34.41 ? 21 A 8 -ATOM 319 O OD2 . ASP A1 1 21 ? -11.458 1.787 -12.455 1.0 4.34 ? 21 A 8 -ATOM 320 H H . ASP A1 1 21 ? -14.062 4.349 -12.909 1.0 61.24 ? 21 A 8 -ATOM 321 H HA . ASP A1 1 21 ? -11.834 6.004 -12.1 1.0 0.1 ? 21 A 8 -ATOM 322 H HB2 . ASP A1 1 21 ? -10.865 3.879 -11.276 1.0 73.15 ? 21 A 8 -ATOM 323 H HB3 . ASP A1 1 21 ? -12.493 4.156 -10.664 1.0 61.23 ? 21 A 8 -ATOM 324 N N . VAL A1 1 22 ? -10.177 5.685 -13.906 1.0 30.34 ? 22 A 8 -ATOM 325 C CA . VAL A1 1 22 ? -9.238 5.577 -15.015 1.0 1.34 ? 22 A 8 -ATOM 326 C C . VAL A1 1 22 ? -7.818 5.908 -14.568 1.0 61.2 ? 22 A 8 -ATOM 327 O O . VAL A1 1 22 ? -7.613 6.491 -13.503 1.0 34.03 ? 22 A 8 -ATOM 328 C CB . VAL A1 1 22 ? -9.629 6.511 -16.176 1.0 60.13 ? 22 A 8 -ATOM 329 C CG1 . VAL A1 1 22 ? -11.109 6.855 -16.108 1.0 14.0 ? 22 A 8 -ATOM 330 C CG2 . VAL A1 1 22 ? -8.779 7.772 -16.155 1.0 61.12 ? 22 A 8 -ATOM 331 H H . VAL A1 1 22 ? -10.057 6.398 -13.245 1.0 71.0 ? 22 A 8 -ATOM 332 H HA . VAL A1 1 22 ? -9.262 4.559 -15.376 1.0 41.13 ? 22 A 8 -ATOM 333 H HB . VAL A1 1 22 ? -9.446 5.993 -17.106 1.0 23.42 ? 22 A 8 -ATOM 334 H HG11 . VAL A1 1 22 ? -11.28 7.552 -15.301 1.0 3.13 ? 22 A 8 -ATOM 335 H HG12 . VAL A1 1 22 ? -11.419 7.301 -17.042 1.0 11.12 ? 22 A 8 -ATOM 336 H HG13 . VAL A1 1 22 ? -11.68 5.955 -15.931 1.0 2.3 ? 22 A 8 -ATOM 337 H HG21 . VAL A1 1 22 ? -9.189 8.494 -16.844 1.0 43.3 ? 22 A 8 -ATOM 338 H HG22 . VAL A1 1 22 ? -8.775 8.186 -15.158 1.0 71.52 ? 22 A 8 -ATOM 339 H HG23 . VAL A1 1 22 ? -7.767 7.529 -16.448 1.0 24.41 ? 22 A 8 -ATOM 340 N N . ASP A1 1 23 ? -6.843 5.533 -15.388 1.0 73.14 ? 23 A 8 -ATOM 341 C CA . ASP A1 1 23 ? -5.442 5.792 -15.077 1.0 0.33 ? 23 A 8 -ATOM 342 C C . ASP A1 1 23 ? -4.826 6.744 -16.098 1.0 62.12 ? 23 A 8 -ATOM 343 O O . ASP A1 1 23 ? -5.266 6.81 -17.246 1.0 35.34 ? 23 A 8 -ATOM 344 C CB . ASP A1 1 23 ? -4.654 4.482 -15.044 1.0 24.44 ? 23 A 8 -ATOM 345 C CG . ASP A1 1 23 ? -5.463 3.335 -14.47 1.0 11.25 ? 23 A 8 -ATOM 346 O OD1 . ASP A1 1 23 ? -6.329 2.8 -15.193 1.0 71.52 ? 23 A 8 -ATOM 347 O OD2 . ASP A1 1 23 ? -5.228 2.972 -13.299 1.0 54.12 ? 23 A 8 -ATOM 348 H H . ASP A1 1 23 ? -7.07 5.072 -16.222 1.0 71.31 ? 23 A 8 -ATOM 349 H HA . ASP A1 1 23 ? -5.398 6.253 -14.102 1.0 62.03 ? 23 A 8 -ATOM 350 H HB2 . ASP A1 1 23 ? -4.358 4.221 -16.05 1.0 75.32 ? 23 A 8 -ATOM 351 H HB3 . ASP A1 1 23 ? -3.771 4.615 -14.437 1.0 32.1 ? 23 A 8 -ATOM 352 N N . HIS A1 1 24 ? -3.805 7.482 -15.672 1.0 3.42 ? 24 A 8 -ATOM 353 C CA . HIS A1 1 24 ? -3.129 8.431 -16.549 1.0 64.1 ? 24 A 8 -ATOM 354 C C . HIS A1 1 24 ? -2.514 7.719 -17.749 1.0 13.22 ? 24 A 8 -ATOM 355 O O . HIS A1 1 24 ? -2.157 8.351 -18.742 1.0 40.32 ? 24 A 8 -ATOM 356 C CB . HIS A1 1 24 ? -2.046 9.187 -15.778 1.0 43.52 ? 24 A 8 -ATOM 357 C CG . HIS A1 1 24 ? -0.902 8.321 -15.349 1.0 63.23 ? 24 A 8 -ATOM 358 N ND1 . HIS A1 1 24 ? -0.802 7.777 -14.086 1.0 33.23 ? 24 A 8 -ATOM 359 C CD2 . HIS A1 1 24 ? 0.195 7.903 -16.024 1.0 70.35 ? 24 A 8 -ATOM 360 C CE1 . HIS A1 1 24 ? 0.307 7.064 -14.002 1.0 52.22 ? 24 A 8 -ATOM 361 N NE2 . HIS A1 1 24 ? 0.93 7.124 -15.165 1.0 51.1 ? 24 A 8 -ATOM 362 H H . HIS A1 1 24 ? -3.5 7.385 -14.746 1.0 35.01 ? 24 A 8 -ATOM 363 H HA . HIS A1 1 24 ? -3.865 9.137 -16.903 1.0 52.33 ? 24 A 8 -ATOM 364 H HB2 . HIS A1 1 24 ? -1.65 9.972 -16.405 1.0 74.33 ? 24 A 8 -ATOM 365 H HB3 . HIS A1 1 24 ? -2.482 9.625 -14.892 1.0 2.24 ? 24 A 8 -ATOM 366 H HD1 . HIS A1 1 24 ? -1.448 7.897 -13.359 1.0 61.24 ? 24 A 8 -ATOM 367 H HD2 . HIS A1 1 24 ? 0.446 8.14 -17.049 1.0 14.35 ? 24 A 8 -ATOM 368 H HE1 . HIS A1 1 24 ? 0.647 6.523 -13.131 1.0 73.24 ? 24 A 8 -ATOM 369 N N . ALA A1 1 25 ? -2.392 6.399 -17.649 1.0 63.43 ? 25 A 8 -ATOM 370 C CA . ALA A1 1 25 ? -1.821 5.601 -18.727 1.0 43.32 ? 25 A 8 -ATOM 371 C C . ALA A1 1 25 ? -2.886 5.212 -19.746 1.0 33.54 ? 25 A 8 -ATOM 372 O O . ALA A1 1 25 ? -2.627 4.431 -20.662 1.0 12.23 ? 25 A 8 -ATOM 373 C CB . ALA A1 1 25 ? -1.148 4.358 -18.164 1.0 51.34 ? 25 A 8 -ATOM 374 H H . ALA A1 1 25 ? -2.695 5.952 -16.832 1.0 55.41 ? 25 A 8 -ATOM 375 H HA . ALA A1 1 25 ? -1.066 6.197 -19.22 1.0 23.12 ? 25 A 8 -ATOM 376 H HB1 . ALA A1 1 25 ? -1.843 3.832 -17.525 1.0 42.21 ? 25 A 8 -ATOM 377 H HB2 . ALA A1 1 25 ? -0.846 3.713 -18.975 1.0 3.14 ? 25 A 8 -ATOM 378 H HB3 . ALA A1 1 25 ? -0.28 4.647 -17.591 1.0 44.44 ? 25 A 8 -ATOM 379 N N . ASP A1 1 26 ? -4.085 5.761 -19.581 1.0 53.31 ? 26 A 8 -ATOM 380 C CA . ASP A1 1 26 ? -5.19 5.472 -20.488 1.0 71.32 ? 26 A 8 -ATOM 381 C C . ASP A1 1 26 ? -5.366 6.595 -21.505 1.0 31.24 ? 26 A 8 -ATOM 382 O O . ASP A1 1 26 ? -4.5 7.459 -21.65 1.0 53.43 ? 26 A 8 -ATOM 383 C CB . ASP A1 1 26 ? -6.485 5.274 -19.699 1.0 21.1 ? 26 A 8 -ATOM 384 C CG . ASP A1 1 26 ? -6.343 4.238 -18.602 1.0 73.54 ? 26 A 8 -ATOM 385 O OD1 . ASP A1 1 26 ? -5.321 3.52 -18.592 1.0 73.22 ? 26 A 8 -ATOM 386 O OD2 . ASP A1 1 26 ? -7.252 4.146 -17.751 1.0 2.02 ? 26 A 8 -ATOM 387 H H . ASP A1 1 26 ? -4.229 6.377 -18.832 1.0 73.33 ? 26 A 8 -ATOM 388 H HA . ASP A1 1 26 ? -4.957 4.56 -21.014 1.0 35.3 ? 26 A 8 -ATOM 389 H HB2 . ASP A1 1 26 ? -6.772 6.213 -19.248 1.0 71.15 ? 26 A 8 -ATOM 390 H HB3 . ASP A1 1 26 ? -7.264 4.952 -20.375 1.0 51.4 ? 26 A 8 -ATOM 391 N N . THR A1 1 27 ? -6.493 6.577 -22.211 1.0 11.22 ? 27 A 8 -ATOM 392 C CA . THR A1 1 27 ? -6.781 7.591 -23.216 1.0 12.11 ? 27 A 8 -ATOM 393 C C . THR A1 1 27 ? -8.276 7.879 -23.293 1.0 24.55 ? 27 A 8 -ATOM 394 O O . THR A1 1 27 ? -9.092 7.126 -22.762 1.0 14.34 ? 27 A 8 -ATOM 395 C CB . THR A1 1 27 ? -6.281 7.161 -24.608 1.0 24.42 ? 27 A 8 -ATOM 396 O OG1 . THR A1 1 27 ? -6.262 5.732 -24.702 1.0 51.41 ? 27 A 8 -ATOM 397 C CG2 . THR A1 1 27 ? -4.888 7.71 -24.876 1.0 72.22 ? 27 A 8 -ATOM 398 H H . THR A1 1 27 ? -7.144 5.863 -22.05 1.0 1.33 ? 27 A 8 -ATOM 399 H HA . THR A1 1 27 ? -6.264 8.497 -22.935 1.0 54.42 ? 27 A 8 -ATOM 400 H HB . THR A1 1 27 ? -6.957 7.554 -25.354 1.0 51.23 ? 27 A 8 -ATOM 401 H HG1 . THR A1 1 27 ? -6.388 5.469 -25.617 1.0 23.44 ? 27 A 8 -ATOM 402 H HG21 . THR A1 1 27 ? -4.214 7.373 -24.104 1.0 20.21 ? 27 A 8 -ATOM 403 H HG22 . THR A1 1 27 ? -4.921 8.79 -24.878 1.0 40.31 ? 27 A 8 -ATOM 404 H HG23 . THR A1 1 27 ? -4.541 7.359 -25.836 1.0 53.14 ? 27 A 8 -ATOM 405 N N . VAL A1 1 28 ? -8.63 8.974 -23.959 1.0 70.04 ? 28 A 8 -ATOM 406 C CA . VAL A1 1 28 ? -10.028 9.361 -24.107 1.0 40.12 ? 28 A 8 -ATOM 407 C C . VAL A1 1 28 ? -10.843 8.241 -24.743 1.0 43.3 ? 28 A 8 -ATOM 408 O O . VAL A1 1 28 ? -11.907 7.874 -24.246 1.0 51.44 ? 28 A 8 -ATOM 409 C CB . VAL A1 1 28 ? -10.17 10.635 -24.961 1.0 70.14 ? 28 A 8 -ATOM 410 C CG1 . VAL A1 1 28 ? -11.591 11.172 -24.886 1.0 13.41 ? 28 A 8 -ATOM 411 C CG2 . VAL A1 1 28 ? -9.168 11.689 -24.516 1.0 73.55 ? 28 A 8 -ATOM 412 H H . VAL A1 1 28 ? -7.934 9.535 -24.36 1.0 50.23 ? 28 A 8 -ATOM 413 H HA . VAL A1 1 28 ? -10.423 9.567 -23.123 1.0 62.42 ? 28 A 8 -ATOM 414 H HB . VAL A1 1 28 ? -9.96 10.38 -25.989 1.0 52.41 ? 28 A 8 -ATOM 415 H HG11 . VAL A1 1 28 ? -12.291 10.355 -24.986 1.0 72.32 ? 28 A 8 -ATOM 416 H HG12 . VAL A1 1 28 ? -11.742 11.661 -23.935 1.0 75.12 ? 28 A 8 -ATOM 417 H HG13 . VAL A1 1 28 ? -11.75 11.881 -25.685 1.0 43.12 ? 28 A 8 -ATOM 418 H HG21 . VAL A1 1 28 ? -8.563 11.989 -25.358 1.0 22.23 ? 28 A 8 -ATOM 419 H HG22 . VAL A1 1 28 ? -9.698 12.547 -24.129 1.0 21.24 ? 28 A 8 -ATOM 420 H HG23 . VAL A1 1 28 ? -8.533 11.28 -23.744 1.0 51.43 ? 28 A 8 -ATOM 421 N N . GLY A1 1 29 ? -10.336 7.701 -25.848 1.0 51.02 ? 29 A 8 -ATOM 422 C CA . GLY A1 1 29 ? -11.03 6.628 -26.535 1.0 24.21 ? 29 A 8 -ATOM 423 C C . GLY A1 1 29 ? -11.441 5.51 -25.598 1.0 62.32 ? 29 A 8 -ATOM 424 O O . GLY A1 1 29 ? -12.595 5.082 -25.599 1.0 1.41 ? 29 A 8 -ATOM 425 H H . GLY A1 1 29 ? -9.484 8.035 -26.199 1.0 25.44 ? 29 A 8 -ATOM 426 H HA2 . GLY A1 1 29 ? -11.914 7.03 -27.008 1.0 33.14 ? 29 A 8 -ATOM 427 H HA3 . GLY A1 1 29 ? -10.38 6.223 -27.296 1.0 61.11 ? 29 A 8 -ATOM 428 N N . ALA A1 1 30 ? -10.494 5.034 -24.796 1.0 0.3 ? 30 A 8 -ATOM 429 C CA . ALA A1 1 30 ? -10.764 3.958 -23.85 1.0 24.42 ? 30 A 8 -ATOM 430 C C . ALA A1 1 30 ? -11.844 4.363 -22.853 1.0 23.15 ? 30 A 8 -ATOM 431 O O . ALA A1 1 30 ? -12.723 3.568 -22.517 1.0 23.32 ? 30 A 8 -ATOM 432 C CB . ALA A1 1 30 ? -9.488 3.567 -23.119 1.0 4.23 ? 30 A 8 -ATOM 433 H H . ALA A1 1 30 ? -9.593 5.415 -24.842 1.0 13.0 ? 30 A 8 -ATOM 434 H HA . ALA A1 1 30 ? -11.107 3.1 -24.409 1.0 42.35 ? 30 A 8 -ATOM 435 H HB1 . ALA A1 1 30 ? -9.658 2.656 -22.563 1.0 24.3 ? 30 A 8 -ATOM 436 H HB2 . ALA A1 1 30 ? -8.696 3.409 -23.836 1.0 15.25 ? 30 A 8 -ATOM 437 H HB3 . ALA A1 1 30 ? -9.206 4.357 -22.438 1.0 54.13 ? 30 A 8 -ATOM 438 N N . VAL A1 1 31 ? -11.773 5.604 -22.381 1.0 44.02 ? 31 A 8 -ATOM 439 C CA . VAL A1 1 31 ? -12.746 6.114 -21.422 1.0 44.43 ? 31 A 8 -ATOM 440 C C . VAL A1 1 31 ? -14.153 6.103 -22.008 1.0 22.33 ? 31 A 8 -ATOM 441 O O . VAL A1 1 31 ? -15.113 5.719 -21.34 1.0 41.34 ? 31 A 8 -ATOM 442 C CB . VAL A1 1 31 ? -12.398 7.547 -20.978 1.0 42.01 ? 31 A 8 -ATOM 443 C CG1 . VAL A1 1 31 ? -13.459 8.085 -20.03 1.0 61.22 ? 31 A 8 -ATOM 444 C CG2 . VAL A1 1 31 ? -11.023 7.584 -20.329 1.0 34.2 ? 31 A 8 -ATOM 445 H H . VAL A1 1 31 ? -11.05 6.19 -22.686 1.0 33.11 ? 31 A 8 -ATOM 446 H HA . VAL A1 1 31 ? -12.724 5.475 -20.551 1.0 53.53 ? 31 A 8 -ATOM 447 H HB . VAL A1 1 31 ? -12.376 8.178 -21.854 1.0 34.14 ? 31 A 8 -ATOM 448 H HG11 . VAL A1 1 31 ? -12.984 8.659 -19.248 1.0 24.43 ? 31 A 8 -ATOM 449 H HG12 . VAL A1 1 31 ? -14.144 8.717 -20.577 1.0 62.24 ? 31 A 8 -ATOM 450 H HG13 . VAL A1 1 31 ? -14.001 7.26 -19.592 1.0 4.44 ? 31 A 8 -ATOM 451 H HG21 . VAL A1 1 31 ? -10.63 6.581 -20.258 1.0 32.4 ? 31 A 8 -ATOM 452 H HG22 . VAL A1 1 31 ? -10.359 8.189 -20.928 1.0 31.51 ? 31 A 8 -ATOM 453 H HG23 . VAL A1 1 31 ? -11.103 8.01 -19.339 1.0 2.41 ? 31 A 8 -ATOM 454 N N . LYS A1 1 32 ? -14.269 6.526 -23.262 1.0 44.33 ? 32 A 8 -ATOM 455 C CA . LYS A1 1 32 ? -15.559 6.564 -23.941 1.0 33.41 ? 32 A 8 -ATOM 456 C C . LYS A1 1 32 ? -16.227 5.192 -23.918 1.0 33.52 ? 32 A 8 -ATOM 457 O O . LYS A1 1 32 ? -17.427 5.08 -23.669 1.0 55.22 ? 32 A 8 -ATOM 458 C CB . LYS A1 1 32 ? -15.384 7.032 -25.387 1.0 21.43 ? 32 A 8 -ATOM 459 C CG . LYS A1 1 32 ? -16.056 8.362 -25.682 1.0 62.04 ? 32 A 8 -ATOM 460 C CD . LYS A1 1 32 ? -15.045 9.494 -25.758 1.0 13.3 ? 32 A 8 -ATOM 461 C CE . LYS A1 1 32 ? -14.614 9.76 -27.192 1.0 61.02 ? 32 A 8 -ATOM 462 N NZ . LYS A1 1 32 ? -14.191 8.512 -27.885 1.0 10.13 ? 32 A 8 -ATOM 463 H H . LYS A1 1 32 ? -13.467 6.82 -23.744 1.0 0.43 ? 32 A 8 -ATOM 464 H HA . LYS A1 1 32 ? -16.189 7.267 -23.418 1.0 20.21 ? 32 A 8 -ATOM 465 H HB2 . LYS A1 1 32 ? -14.329 7.132 -25.595 1.0 31.13 ? 32 A 8 -ATOM 466 H HB3 . LYS A1 1 32 ? -15.803 6.287 -26.048 1.0 51.43 ? 32 A 8 -ATOM 467 H HG2 . LYS A1 1 32 ? -16.574 8.292 -26.627 1.0 34.55 ? 32 A 8 -ATOM 468 H HG3 . LYS A1 1 32 ? -16.766 8.578 -24.895 1.0 75.31 ? 32 A 8 -ATOM 469 H HD2 . LYS A1 1 32 ? -15.49 10.391 -25.355 1.0 62.53 ? 32 A 8 -ATOM 470 H HD3 . LYS A1 1 32 ? -14.175 9.228 -25.173 1.0 34.24 ? 32 A 8 -ATOM 471 H HE2 . LYS A1 1 32 ? -15.443 10.196 -27.728 1.0 32.35 ? 32 A 8 -ATOM 472 H HE3 . LYS A1 1 32 ? -13.787 10.455 -27.182 1.0 31.14 ? 32 A 8 -ATOM 473 H HZ1 . LYS A1 1 32 ? -13.636 7.915 -27.24 1.0 3.34 ? 32 A 8 -ATOM 474 H HZ2 . LYS A1 1 32 ? -13.608 8.745 -28.714 1.0 11.13 ? 32 A 8 -ATOM 475 H HZ3 . LYS A1 1 32 ? -15.026 7.979 -28.202 1.0 13.55 ? 32 A 8 -ATOM 476 N N . ALA A1 1 33 ? -15.441 4.152 -24.176 1.0 34.21 ? 33 A 8 -ATOM 477 C CA . ALA A1 1 33 ? -15.955 2.788 -24.181 1.0 60.31 ? 33 A 8 -ATOM 478 C C . ALA A1 1 33 ? -16.452 2.384 -22.797 1.0 31.03 ? 33 A 8 -ATOM 479 O O . ALA A1 1 33 ? -17.466 1.698 -22.665 1.0 31.32 ? 33 A 8 -ATOM 480 C CB . ALA A1 1 33 ? -14.884 1.822 -24.662 1.0 54.24 ? 33 A 8 -ATOM 481 H H . ALA A1 1 33 ? -14.492 4.306 -24.367 1.0 43.1 ? 33 A 8 -ATOM 482 H HA . ALA A1 1 33 ? -16.782 2.746 -24.875 1.0 53.01 ? 33 A 8 -ATOM 483 H HB1 . ALA A1 1 33 ? -13.991 1.95 -24.068 1.0 2.33 ? 33 A 8 -ATOM 484 H HB2 . ALA A1 1 33 ? -15.242 0.808 -24.561 1.0 61.23 ? 33 A 8 -ATOM 485 H HB3 . ALA A1 1 33 ? -14.658 2.022 -25.699 1.0 53.23 ? 33 A 8 -ATOM 486 N N . LYS A1 1 34 ? -15.731 2.813 -21.766 1.0 30.14 ? 34 A 8 -ATOM 487 C CA . LYS A1 1 34 ? -16.098 2.497 -20.391 1.0 3.41 ? 34 A 8 -ATOM 488 C C . LYS A1 1 34 ? -17.487 3.034 -20.061 1.0 51.04 ? 34 A 8 -ATOM 489 O O . LYS A1 1 34 ? -18.295 2.349 -19.433 1.0 30.3 ? 34 A 8 -ATOM 490 C CB . LYS A1 1 34 ? -15.069 3.081 -19.42 1.0 63.02 ? 34 A 8 -ATOM 491 C CG . LYS A1 1 34 ? -15.328 2.716 -17.968 1.0 24.43 ? 34 A 8 -ATOM 492 C CD . LYS A1 1 34 ? -15.131 1.229 -17.724 1.0 44.42 ? 34 A 8 -ATOM 493 C CE . LYS A1 1 34 ? -13.677 0.822 -17.906 1.0 34.12 ? 34 A 8 -ATOM 494 N NZ . LYS A1 1 34 ? -13.306 -0.319 -17.023 1.0 13.0 ? 34 A 8 -ATOM 495 H H . LYS A1 1 34 ? -14.933 3.357 -21.935 1.0 65.25 ? 34 A 8 -ATOM 496 H HA . LYS A1 1 34 ? -16.108 1.422 -20.289 1.0 3.22 ? 34 A 8 -ATOM 497 H HB2 . LYS A1 1 34 ? -14.089 2.718 -19.692 1.0 71.03 ? 34 A 8 -ATOM 498 H HB3 . LYS A1 1 34 ? -15.082 4.158 -19.506 1.0 71.12 ? 34 A 8 -ATOM 499 H HG2 . LYS A1 1 34 ? -14.643 3.266 -17.34 1.0 24.23 ? 34 A 8 -ATOM 500 H HG3 . LYS A1 1 34 ? -16.344 2.981 -17.715 1.0 22.21 ? 34 A 8 -ATOM 501 H HD2 . LYS A1 1 34 ? -15.434 0.995 -16.714 1.0 63.43 ? 34 A 8 -ATOM 502 H HD3 . LYS A1 1 34 ? -15.741 0.674 -18.422 1.0 75.33 ? 34 A 8 -ATOM 503 H HE2 . LYS A1 1 34 ? -13.523 0.534 -18.935 1.0 34.14 ? 34 A 8 -ATOM 504 H HE3 . LYS A1 1 34 ? -13.048 1.668 -17.671 1.0 0.12 ? 34 A 8 -ATOM 505 H HZ1 . LYS A1 1 34 ? -13.038 0.031 -16.081 1.0 62.42 ? 34 A 8 -ATOM 506 H HZ2 . LYS A1 1 34 ? -12.502 -0.838 -17.43 1.0 14.2 ? 34 A 8 -ATOM 507 H HZ3 . LYS A1 1 34 ? -14.11 -0.97 -16.924 1.0 65.2 ? 34 A 8 -ATOM 508 N N . ILE A1 1 35 ? -17.758 4.263 -20.488 1.0 14.42 ? 35 A 8 -ATOM 509 C CA . ILE A1 1 35 ? -19.05 4.89 -20.24 1.0 22.32 ? 35 A 8 -ATOM 510 C C . ILE A1 1 35 ? -20.162 4.179 -21.003 1.0 74.31 ? 35 A 8 -ATOM 511 O O . ILE A1 1 35 ? -21.288 4.066 -20.518 1.0 33.23 ? 35 A 8 -ATOM 512 C CB . ILE A1 1 35 ? -19.039 6.378 -20.638 1.0 42.5 ? 35 A 8 -ATOM 513 C CG1 . ILE A1 1 35 ? -17.865 7.099 -19.972 1.0 22.04 ? 35 A 8 -ATOM 514 C CG2 . ILE A1 1 35 ? -20.357 7.037 -20.259 1.0 45.14 ? 35 A 8 -ATOM 515 C CD1 . ILE A1 1 35 ? -17.852 6.967 -18.465 1.0 11.1 ? 35 A 8 -ATOM 516 H H . ILE A1 1 35 ? -17.073 4.759 -20.983 1.0 54.44 ? 35 A 8 -ATOM 517 H HA . ILE A1 1 35 ? -19.254 4.823 -19.181 1.0 30.01 ? 35 A 8 -ATOM 518 H HB . ILE A1 1 35 ? -18.929 6.44 -21.71 1.0 2.44 ? 35 A 8 -ATOM 519 H HG12 . ILE A1 1 35 ? -16.94 6.691 -20.348 1.0 3.24 ? 35 A 8 -ATOM 520 H HG13 . ILE A1 1 35 ? -17.914 8.151 -20.214 1.0 0.11 ? 35 A 8 -ATOM 521 H HG21 . ILE A1 1 35 ? -20.429 8.001 -20.741 1.0 65.32 ? 35 A 8 -ATOM 522 H HG22 . ILE A1 1 35 ? -21.177 6.413 -20.58 1.0 43.1 ? 35 A 8 -ATOM 523 H HG23 . ILE A1 1 35 ? -20.399 7.167 -19.188 1.0 75.41 ? 35 A 8 -ATOM 524 H HD11 . ILE A1 1 35 ? -16.997 6.379 -18.163 1.0 43.52 ? 35 A 8 -ATOM 525 H HD12 . ILE A1 1 35 ? -17.788 7.948 -18.018 1.0 71.15 ? 35 A 8 -ATOM 526 H HD13 . ILE A1 1 35 ? -18.757 6.479 -18.138 1.0 74.3 ? 35 A 8 -ATOM 527 N N . TYR A1 1 36 ? -19.838 3.699 -22.199 1.0 62.53 ? 36 A 8 -ATOM 528 C CA . TYR A1 1 36 ? -20.81 2.999 -23.03 1.0 64.44 ? 36 A 8 -ATOM 529 C C . TYR A1 1 36 ? -21.408 1.81 -22.284 1.0 53.42 ? 36 A 8 -ATOM 530 O O . TYR A1 1 36 ? -22.622 1.607 -22.29 1.0 34.33 ? 36 A 8 -ATOM 531 C CB . TYR A1 1 36 ? -20.154 2.523 -24.327 1.0 74.42 ? 36 A 8 -ATOM 532 C CG . TYR A1 1 36 ? -20.667 1.186 -24.811 1.0 43.51 ? 36 A 8 -ATOM 533 C CD1 . TYR A1 1 36 ? -21.999 1.019 -25.169 1.0 62.31 ? 36 A 8 -ATOM 534 C CD2 . TYR A1 1 36 ? -19.82 0.089 -24.91 1.0 22.21 ? 36 A 8 -ATOM 535 C CE1 . TYR A1 1 36 ? -22.472 -0.201 -25.611 1.0 25.24 ? 36 A 8 -ATOM 536 C CE2 . TYR A1 1 36 ? -20.284 -1.135 -25.352 1.0 24.41 ? 36 A 8 -ATOM 537 C CZ . TYR A1 1 36 ? -21.611 -1.275 -25.7 1.0 51.0 ? 36 A 8 -ATOM 538 O OH . TYR A1 1 36 ? -22.079 -2.492 -26.141 1.0 31.41 ? 36 A 8 -ATOM 539 H H . TYR A1 1 36 ? -18.924 3.82 -22.531 1.0 42.53 ? 36 A 8 -ATOM 540 H HA . TYR A1 1 36 ? -21.601 3.693 -23.272 1.0 45.34 ? 36 A 8 -ATOM 541 H HB2 . TYR A1 1 36 ? -20.339 3.249 -25.104 1.0 32.41 ? 36 A 8 -ATOM 542 H HB3 . TYR A1 1 36 ? -19.088 2.434 -24.172 1.0 73.31 ? 36 A 8 -ATOM 543 H HD1 . TYR A1 1 36 ? -22.671 1.863 -25.098 1.0 14.41 ? 36 A 8 -ATOM 544 H HD2 . TYR A1 1 36 ? -18.781 0.202 -24.636 1.0 73.43 ? 36 A 8 -ATOM 545 H HE1 . TYR A1 1 36 ? -23.511 -0.311 -25.884 1.0 30.0 ? 36 A 8 -ATOM 546 H HE2 . TYR A1 1 36 ? -19.61 -1.976 -25.422 1.0 11.1 ? 36 A 8 -ATOM 547 H HH . TYR A1 1 36 ? -21.414 -3.166 -25.982 1.0 20.21 ? 36 A 8 -ATOM 548 N N . ASP A1 1 37 ? -20.547 1.029 -21.642 1.0 31.31 ? 37 A 8 -ATOM 549 C CA . ASP A1 1 37 ? -20.989 -0.139 -20.889 1.0 4.3 ? 37 A 8 -ATOM 550 C C . ASP A1 1 37 ? -21.646 0.277 -19.577 1.0 30.32 ? 37 A 8 -ATOM 551 O O . ASP A1 1 37 ? -22.561 -0.388 -19.09 1.0 62.0 ? 37 A 8 -ATOM 552 C CB . ASP A1 1 37 ? -19.807 -1.069 -20.61 1.0 35.43 ? 37 A 8 -ATOM 553 C CG . ASP A1 1 37 ? -20.213 -2.53 -20.588 1.0 34.32 ? 37 A 8 -ATOM 554 O OD1 . ASP A1 1 37 ? -20.874 -2.977 -21.548 1.0 31.12 ? 37 A 8 -ATOM 555 O OD2 . ASP A1 1 37 ? -19.87 -3.227 -19.609 1.0 3.2 ? 37 A 8 -ATOM 556 H H . ASP A1 1 37 ? -19.591 1.243 -21.675 1.0 51.42 ? 37 A 8 -ATOM 557 H HA . ASP A1 1 37 ? -21.715 -0.666 -21.49 1.0 32.24 ? 37 A 8 -ATOM 558 H HB2 . ASP A1 1 37 ? -19.061 -0.934 -21.379 1.0 43.14 ? 37 A 8 -ATOM 559 H HB3 . ASP A1 1 37 ? -19.379 -0.818 -19.651 1.0 34.23 ? 37 A 8 -ATOM 560 N N . LYS A1 1 38 ? -21.174 1.38 -19.008 1.0 33.03 ? 38 A 8 -ATOM 561 C CA . LYS A1 1 38 ? -21.715 1.887 -17.753 1.0 33.5 ? 38 A 8 -ATOM 562 C C . LYS A1 1 38 ? -23.223 2.092 -17.853 1.0 62.1 ? 38 A 8 -ATOM 563 O O . LYS A1 1 38 ? -23.973 1.689 -16.966 1.0 13.24 ? 38 A 8 -ATOM 564 C CB . LYS A1 1 38 ? -21.034 3.204 -17.374 1.0 32.13 ? 38 A 8 -ATOM 565 C CG . LYS A1 1 38 ? -20.164 3.104 -16.133 1.0 11.13 ? 38 A 8 -ATOM 566 C CD . LYS A1 1 38 ? -18.715 2.813 -16.489 1.0 55.11 ? 38 A 8 -ATOM 567 C CE . LYS A1 1 38 ? -18.485 1.328 -16.721 1.0 12.13 ? 38 A 8 -ATOM 568 N NZ . LYS A1 1 38 ? -18.058 0.632 -15.476 1.0 62.42 ? 38 A 8 -ATOM 569 H H . LYS A1 1 38 ? -20.443 1.868 -19.445 1.0 40.1 ? 38 A 8 -ATOM 570 H HA . LYS A1 1 38 ? -21.514 1.154 -16.986 1.0 13.43 ? 38 A 8 -ATOM 571 H HB2 . LYS A1 1 38 ? -20.413 3.524 -18.198 1.0 53.44 ? 38 A 8 -ATOM 572 H HB3 . LYS A1 1 38 ? -21.794 3.95 -17.196 1.0 74.35 ? 38 A 8 -ATOM 573 H HG2 . LYS A1 1 38 ? -20.21 4.039 -15.595 1.0 72.35 ? 38 A 8 -ATOM 574 H HG3 . LYS A1 1 38 ? -20.537 2.307 -15.506 1.0 65.33 ? 38 A 8 -ATOM 575 H HD2 . LYS A1 1 38 ? -18.46 3.351 -17.391 1.0 31.44 ? 38 A 8 -ATOM 576 H HD3 . LYS A1 1 38 ? -18.081 3.145 -15.679 1.0 51.13 ? 38 A 8 -ATOM 577 H HE2 . LYS A1 1 38 ? -19.405 0.885 -17.073 1.0 72.24 ? 38 A 8 -ATOM 578 H HE3 . LYS A1 1 38 ? -17.718 1.209 -17.472 1.0 52.14 ? 38 A 8 -ATOM 579 H HZ1 . LYS A1 1 38 ? -17.358 1.208 -14.967 1.0 12.21 ? 38 A 8 -ATOM 580 H HZ2 . LYS A1 1 38 ? -17.63 -0.287 -15.71 1.0 31.3 ? 38 A 8 -ATOM 581 H HZ3 . LYS A1 1 38 ? -18.877 0.472 -14.857 1.0 72.13 ? 38 A 8 -ATOM 582 N N . GLU A1 1 39 ? -23.658 2.721 -18.941 1.0 74.33 ? 39 A 8 -ATOM 583 C CA . GLU A1 1 39 ? -25.077 2.979 -19.156 1.0 31.43 ? 39 A 8 -ATOM 584 C C . GLU A1 1 39 ? -25.602 2.175 -20.342 1.0 55.55 ? 39 A 8 -ATOM 585 O O . GLU A1 1 39 ? -26.528 1.377 -20.203 1.0 44.25 ? 39 A 8 -ATOM 586 C CB . GLU A1 1 39 ? -25.317 4.472 -19.392 1.0 31.12 ? 39 A 8 -ATOM 587 C CG . GLU A1 1 39 ? -24.052 5.247 -19.722 1.0 22.34 ? 39 A 8 -ATOM 588 C CD . GLU A1 1 39 ? -24.311 6.727 -19.927 1.0 34.02 ? 39 A 8 -ATOM 589 O OE1 . GLU A1 1 39 ? -25.329 7.068 -20.565 1.0 60.52 ? 39 A 8 -ATOM 590 O OE2 . GLU A1 1 39 ? -23.497 7.544 -19.449 1.0 24.54 ? 39 A 8 -ATOM 591 H H . GLU A1 1 39 ? -23.01 3.019 -19.613 1.0 53.12 ? 39 A 8 -ATOM 592 H HA . GLU A1 1 39 ? -25.608 2.676 -18.267 1.0 24.23 ? 39 A 8 -ATOM 593 H HB2 . GLU A1 1 39 ? -26.01 4.588 -20.213 1.0 13.32 ? 39 A 8 -ATOM 594 H HB3 . GLU A1 1 39 ? -25.753 4.899 -18.502 1.0 53.15 ? 39 A 8 -ATOM 595 H HG2 . GLU A1 1 39 ? -23.351 5.129 -18.909 1.0 73.51 ? 39 A 8 -ATOM 596 H HG3 . GLU A1 1 39 ? -23.623 4.843 -20.627 1.0 55.55 ? 39 A 8 -ATOM 597 N N . GLY A1 1 40 ? -25.004 2.392 -21.509 1.0 41.31 ? 40 A 8 -ATOM 598 C CA . GLY A1 1 40 ? -25.424 1.681 -22.702 1.0 23.2 ? 40 A 8 -ATOM 599 C C . GLY A1 1 40 ? -25.699 2.613 -23.865 1.0 54.31 ? 40 A 8 -ATOM 600 O O . GLY A1 1 40 ? -26.769 2.558 -24.473 1.0 62.35 ? 40 A 8 -ATOM 601 H H . GLY A1 1 40 ? -24.27 3.04 -21.56 1.0 1.31 ? 40 A 8 -ATOM 602 H HA2 . GLY A1 1 40 ? -24.648 0.986 -22.986 1.0 42.33 ? 40 A 8 -ATOM 603 H HA3 . GLY A1 1 40 ? -26.325 1.128 -22.479 1.0 42.25 ? 40 A 8 -ATOM 604 N N . ILE A1 1 41 ? -24.733 3.471 -24.175 1.0 11.45 ? 41 A 8 -ATOM 605 C CA . ILE A1 1 41 ? -24.878 4.419 -25.273 1.0 13.21 ? 41 A 8 -ATOM 606 C C . ILE A1 1 41 ? -23.673 4.366 -26.207 1.0 73.14 ? 41 A 8 -ATOM 607 O O . ILE A1 1 41 ? -22.565 4.003 -25.811 1.0 54.03 ? 41 A 8 -ATOM 608 C CB . ILE A1 1 41 ? -25.048 5.859 -24.754 1.0 13.54 ? 41 A 8 -ATOM 609 C CG1 . ILE A1 1 41 ? -23.704 6.415 -24.278 1.0 35.25 ? 41 A 8 -ATOM 610 C CG2 . ILE A1 1 41 ? -26.072 5.9 -23.63 1.0 15.54 ? 41 A 8 -ATOM 611 C CD1 . ILE A1 1 41 ? -23.271 5.878 -22.933 1.0 51.21 ? 41 A 8 -ATOM 612 H H . ILE A1 1 41 ? -23.904 3.466 -23.653 1.0 10.31 ? 41 A 8 -ATOM 613 H HA . ILE A1 1 41 ? -25.764 4.151 -25.83 1.0 22.4 ? 41 A 8 -ATOM 614 H HB . ILE A1 1 41 ? -25.415 6.469 -25.566 1.0 2.22 ? 41 A 8 -ATOM 615 H HG12 . ILE A1 1 41 ? -22.942 6.162 -24.997 1.0 53.25 ? 41 A 8 -ATOM 616 H HG13 . ILE A1 1 41 ? -23.776 7.491 -24.199 1.0 73.21 ? 41 A 8 -ATOM 617 H HG21 . ILE A1 1 41 ? -27.058 5.721 -24.035 1.0 41.34 ? 41 A 8 -ATOM 618 H HG22 . ILE A1 1 41 ? -25.839 5.137 -22.903 1.0 35.01 ? 41 A 8 -ATOM 619 H HG23 . ILE A1 1 41 ? -26.049 6.869 -23.156 1.0 24.24 ? 41 A 8 -ATOM 620 H HD11 . ILE A1 1 41 ? -23.919 5.063 -22.645 1.0 13.35 ? 41 A 8 -ATOM 621 H HD12 . ILE A1 1 41 ? -22.253 5.521 -22.998 1.0 5.02 ? 41 A 8 -ATOM 622 H HD13 . ILE A1 1 41 ? -23.331 6.663 -22.194 1.0 73.01 ? 41 A 8 -ATOM 623 N N . PRO A1 1 42 ? -23.892 4.738 -27.477 1.0 42.01 ? 42 A 8 -ATOM 624 C CA . PRO A1 1 42 ? -22.836 4.744 -28.493 1.0 63.34 ? 42 A 8 -ATOM 625 C C . PRO A1 1 42 ? -21.802 5.837 -28.248 1.0 4.23 ? 42 A 8 -ATOM 626 O O . PRO A1 1 42 ? -22.103 7.03 -28.29 1.0 21.54 ? 42 A 8 -ATOM 627 C CB . PRO A1 1 42 ? -23.598 5.009 -29.794 1.0 63.45 ? 42 A 8 -ATOM 628 C CG . PRO A1 1 42 ? -24.83 5.731 -29.371 1.0 31.23 ? 42 A 8 -ATOM 629 C CD . PRO A1 1 42 ? -25.188 5.182 -28.018 1.0 52.22 ? 42 A 8 -ATOM 630 H HA . PRO A1 1 42 ? -22.339 3.787 -28.554 1.0 60.32 ? 42 A 8 -ATOM 631 H HB2 . PRO A1 1 42 ? -22.99 5.615 -30.452 1.0 50.23 ? 42 A 8 -ATOM 632 H HB3 . PRO A1 1 42 ? -23.835 4.072 -30.275 1.0 64.01 ? 42 A 8 -ATOM 633 H HG2 . PRO A1 1 42 ? -24.631 6.79 -29.305 1.0 0.11 ? 42 A 8 -ATOM 634 H HG3 . PRO A1 1 42 ? -25.627 5.54 -30.075 1.0 1.1 ? 42 A 8 -ATOM 635 H HD2 . PRO A1 1 42 ? -25.62 5.954 -27.399 1.0 11.32 ? 42 A 8 -ATOM 636 H HD3 . PRO A1 1 42 ? -25.869 4.35 -28.116 1.0 34.03 ? 42 A 8 -ATOM 637 N N . PRO A1 1 43 ? -20.553 5.424 -27.988 1.0 1.41 ? 43 A 8 -ATOM 638 C CA . PRO A1 1 43 ? -19.448 6.353 -27.732 1.0 62.53 ? 43 A 8 -ATOM 639 C C . PRO A1 1 43 ? -19.037 7.123 -28.983 1.0 21.35 ? 43 A 8 -ATOM 640 O O . PRO A1 1 43 ? -18.574 8.26 -28.899 1.0 73.42 ? 43 A 8 -ATOM 641 C CB . PRO A1 1 43 ? -18.313 5.436 -27.271 1.0 74.43 ? 43 A 8 -ATOM 642 C CG . PRO A1 1 43 ? -18.622 4.113 -27.881 1.0 42.11 ? 43 A 8 -ATOM 643 C CD . PRO A1 1 43 ? -20.122 4.017 -27.922 1.0 32.53 ? 43 A 8 -ATOM 644 H HA . PRO A1 1 43 ? -19.692 7.052 -26.945 1.0 3.1 ? 43 A 8 -ATOM 645 H HB2 . PRO A1 1 43 ? -17.368 5.824 -27.624 1.0 1.2 ? 43 A 8 -ATOM 646 H HB3 . PRO A1 1 43 ? -18.305 5.381 -26.193 1.0 52.2 ? 43 A 8 -ATOM 647 H HG2 . PRO A1 1 43 ? -18.216 4.065 -28.88 1.0 21.5 ? 43 A 8 -ATOM 648 H HG3 . PRO A1 1 43 ? -18.213 3.322 -27.27 1.0 41.32 ? 43 A 8 -ATOM 649 H HD2 . PRO A1 1 43 ? -20.442 3.475 -28.8 1.0 55.24 ? 43 A 8 -ATOM 650 H HD3 . PRO A1 1 43 ? -20.495 3.542 -27.027 1.0 31.14 ? 43 A 8 -ATOM 651 N N . ASP A1 1 44 ? -19.21 6.495 -30.141 1.0 54.12 ? 44 A 8 -ATOM 652 C CA . ASP A1 1 44 ? -18.858 7.122 -31.41 1.0 51.34 ? 44 A 8 -ATOM 653 C C . ASP A1 1 44 ? -19.87 8.202 -31.781 1.0 65.34 ? 44 A 8 -ATOM 654 O O . ASP A1 1 44 ? -19.605 9.044 -32.638 1.0 41.23 ? 44 A 8 -ATOM 655 C CB . ASP A1 1 44 ? -18.784 6.072 -32.519 1.0 23.35 ? 44 A 8 -ATOM 656 C CG . ASP A1 1 44 ? -17.975 6.545 -33.711 1.0 52.14 ? 44 A 8 -ATOM 657 O OD1 . ASP A1 1 44 ? -16.794 6.903 -33.521 1.0 70.43 ? 44 A 8 -ATOM 658 O OD2 . ASP A1 1 44 ? -18.523 6.557 -34.833 1.0 15.14 ? 44 A 8 -ATOM 659 H H . ASP A1 1 44 ? -19.583 5.589 -30.143 1.0 64.31 ? 44 A 8 -ATOM 660 H HA . ASP A1 1 44 ? -17.887 7.581 -31.295 1.0 72.42 ? 44 A 8 -ATOM 661 H HB2 . ASP A1 1 44 ? -18.323 5.176 -32.127 1.0 64.21 ? 44 A 8 -ATOM 662 H HB3 . ASP A1 1 44 ? -19.784 5.84 -32.854 1.0 74.33 ? 44 A 8 -ATOM 663 N N . GLN A1 1 45 ? -21.028 8.169 -31.131 1.0 24.51 ? 45 A 8 -ATOM 664 C CA . GLN A1 1 45 ? -22.08 9.143 -31.396 1.0 55.1 ? 45 A 8 -ATOM 665 C C . GLN A1 1 45 ? -22.002 10.308 -30.414 1.0 65.33 ? 45 A 8 -ATOM 666 O O . GLN A1 1 45 ? -22.652 11.336 -30.604 1.0 0.12 ? 45 A 8 -ATOM 667 C CB . GLN A1 1 45 ? -23.455 8.478 -31.307 1.0 3.33 ? 45 A 8 -ATOM 668 C CG . GLN A1 1 45 ? -23.931 7.889 -32.625 1.0 71.05 ? 45 A 8 -ATOM 669 C CD . GLN A1 1 45 ? -25.032 6.863 -32.442 1.0 50.21 ? 45 A 8 -ATOM 670 O OE1 . GLN A1 1 45 ? -24.809 5.662 -32.593 1.0 30.33 ? 45 A 8 -ATOM 671 N NE2 . GLN A1 1 45 ? -26.23 7.332 -32.113 1.0 54.11 ? 45 A 8 -ATOM 672 H H . GLN A1 1 45 ? -21.18 7.473 -30.459 1.0 33.14 ? 45 A 8 -ATOM 673 H HA . GLN A1 1 45 ? -21.937 9.522 -32.396 1.0 54.13 ? 45 A 8 -ATOM 674 H HB2 . GLN A1 1 45 ? -23.411 7.685 -30.577 1.0 72.22 ? 45 A 8 -ATOM 675 H HB3 . GLN A1 1 45 ? -24.177 9.214 -30.986 1.0 51.24 ? 45 A 8 -ATOM 676 H HG2 . GLN A1 1 45 ? -24.305 8.688 -33.248 1.0 11.31 ? 45 A 8 -ATOM 677 H HG3 . GLN A1 1 45 ? -23.094 7.414 -33.115 1.0 33.23 ? 45 A 8 -ATOM 678 H HE21 . GLN A1 1 45 ? -26.334 8.302 -32.01 1.0 35.4 ? 45 A 8 -ATOM 679 H HE22 . GLN A1 1 45 ? -26.96 6.692 -31.988 1.0 53.4 ? 45 A 8 -ATOM 680 N N . GLN A1 1 46 ? -21.203 10.139 -29.366 1.0 5.34 ? 46 A 8 -ATOM 681 C CA . GLN A1 1 46 ? -21.041 11.177 -28.354 1.0 54.21 ? 46 A 8 -ATOM 682 C C . GLN A1 1 46 ? -19.619 11.727 -28.361 1.0 23.33 ? 46 A 8 -ATOM 683 O O . GLN A1 1 46 ? -18.679 11.04 -28.762 1.0 42.0 ? 46 A 8 -ATOM 684 C CB . GLN A1 1 46 ? -21.38 10.626 -26.968 1.0 54.1 ? 46 A 8 -ATOM 685 C CG . GLN A1 1 46 ? -20.57 9.397 -26.587 1.0 63.33 ? 46 A 8 -ATOM 686 C CD . GLN A1 1 46 ? -20.561 9.144 -25.093 1.0 73.34 ? 46 A 8 -ATOM 687 O OE1 . GLN A1 1 46 ? -19.533 9.292 -24.432 1.0 62.34 ? 46 A 8 -ATOM 688 N NE2 . GLN A1 1 46 ? -21.711 8.76 -24.551 1.0 52.51 ? 46 A 8 -ATOM 689 H H . GLN A1 1 46 ? -20.711 9.298 -29.27 1.0 61.13 ? 46 A 8 -ATOM 690 H HA . GLN A1 1 46 ? -21.725 11.979 -28.59 1.0 1.54 ? 46 A 8 -ATOM 691 H HB2 . GLN A1 1 46 ? -21.196 11.394 -26.233 1.0 70.34 ? 46 A 8 -ATOM 692 H HB3 . GLN A1 1 46 ? -22.427 10.36 -26.946 1.0 24.41 ? 46 A 8 -ATOM 693 H HG2 . GLN A1 1 46 ? -20.993 8.535 -27.08 1.0 71.34 ? 46 A 8 -ATOM 694 H HG3 . GLN A1 1 46 ? -19.552 9.537 -26.92 1.0 12.44 ? 46 A 8 -ATOM 695 H HE21 . GLN A1 1 46 ? -22.489 8.662 -25.139 1.0 61.21 ? 46 A 8 -ATOM 696 H HE22 . GLN A1 1 46 ? -21.734 8.589 -23.587 1.0 54.41 ? 46 A 8 -ATOM 697 N N . ARG A1 1 47 ? -19.468 12.971 -27.916 1.0 11.31 ? 47 A 8 -ATOM 698 C CA . ARG A1 1 47 ? -18.16 13.613 -27.873 1.0 74.42 ? 47 A 8 -ATOM 699 C C . ARG A1 1 47 ? -17.949 14.327 -26.541 1.0 0.05 ? 47 A 8 -ATOM 700 O O . ARG A1 1 47 ? -18.901 14.575 -25.799 1.0 62.43 ? 47 A 8 -ATOM 701 C CB . ARG A1 1 47 ? -18.02 14.61 -29.025 1.0 53.24 ? 47 A 8 -ATOM 702 C CG . ARG A1 1 47 ? -17.111 14.125 -30.143 1.0 25.13 ? 47 A 8 -ATOM 703 C CD . ARG A1 1 47 ? -17.857 13.228 -31.118 1.0 74.31 ? 47 A 8 -ATOM 704 N NE . ARG A1 1 47 ? -17.25 11.903 -31.217 1.0 72.02 ? 47 A 8 -ATOM 705 C CZ . ARG A1 1 47 ? -16.113 11.662 -31.859 1.0 4.33 ? 47 A 8 -ATOM 706 N NH1 . ARG A1 1 47 ? -15.461 12.651 -32.455 1.0 22.33 ? 47 A 8 -ATOM 707 N NH2 . ARG A1 1 47 ? -15.624 10.429 -31.905 1.0 24.44 ? 47 A 8 -ATOM 708 H H . ARG A1 1 47 ? -20.255 13.468 -27.61 1.0 14.32 ? 47 A 8 -ATOM 709 H HA . ARG A1 1 47 ? -17.409 12.845 -27.98 1.0 52.1 ? 47 A 8 -ATOM 710 H HB2 . ARG A1 1 47 ? -18.998 14.799 -29.443 1.0 12.43 ? 47 A 8 -ATOM 711 H HB3 . ARG A1 1 47 ? -17.617 15.534 -28.639 1.0 31.22 ? 47 A 8 -ATOM 712 H HG2 . ARG A1 1 47 ? -16.727 14.98 -30.679 1.0 2.15 ? 47 A 8 -ATOM 713 H HG3 . ARG A1 1 47 ? -16.291 13.57 -29.711 1.0 3.22 ? 47 A 8 -ATOM 714 H HD2 . ARG A1 1 47 ? -18.877 13.122 -30.781 1.0 62.34 ? 47 A 8 -ATOM 715 H HD3 . ARG A1 1 47 ? -17.847 13.693 -32.093 1.0 4.32 ? 47 A 8 -ATOM 716 H HE . ARG A1 1 47 ? -17.715 11.158 -30.784 1.0 51.12 ? 47 A 8 -ATOM 717 H HH11 . ARG A1 1 47 ? -15.826 13.581 -32.421 1.0 35.02 ? 47 A 8 -ATOM 718 H HH12 . ARG A1 1 47 ? -14.604 12.467 -32.936 1.0 42.25 ? 47 A 8 -ATOM 719 H HH21 . ARG A1 1 47 ? -16.112 9.681 -31.457 1.0 32.54 ? 47 A 8 -ATOM 720 H HH22 . ARG A1 1 47 ? -14.768 10.249 -32.388 1.0 51.04 ? 47 A 8 -ATOM 721 N N . LEU A1 1 48 ? -16.696 14.654 -26.243 1.0 13.42 ? 48 A 8 -ATOM 722 C CA . LEU A1 1 48 ? -16.359 15.338 -25.0 1.0 63.04 ? 48 A 8 -ATOM 723 C C . LEU A1 1 48 ? -16.074 16.816 -25.251 1.0 70.54 ? 48 A 8 -ATOM 724 O O . LEU A1 1 48 ? -15.571 17.189 -26.311 1.0 13.22 ? 48 A 8 -ATOM 725 C CB . LEU A1 1 48 ? -15.145 14.678 -24.344 1.0 73.22 ? 48 A 8 -ATOM 726 C CG . LEU A1 1 48 ? -15.069 13.155 -24.454 1.0 23.01 ? 48 A 8 -ATOM 727 C CD1 . LEU A1 1 48 ? -16.443 12.535 -24.255 1.0 2.23 ? 48 A 8 -ATOM 728 C CD2 . LEU A1 1 48 ? -14.488 12.746 -25.799 1.0 62.5 ? 48 A 8 -ATOM 729 H H . LEU A1 1 48 ? -15.981 14.43 -26.873 1.0 13.1 ? 48 A 8 -ATOM 730 H HA . LEU A1 1 48 ? -17.207 15.256 -24.336 1.0 5.14 ? 48 A 8 -ATOM 731 H HB2 . LEU A1 1 48 ? -14.258 15.087 -24.802 1.0 14.35 ? 48 A 8 -ATOM 732 H HB3 . LEU A1 1 48 ? -15.157 14.935 -23.294 1.0 62.22 ? 48 A 8 -ATOM 733 H HG . LEU A1 1 48 ? -14.417 12.776 -23.678 1.0 74.12 ? 48 A 8 -ATOM 734 H HD11 . LEU A1 1 48 ? -17.056 13.201 -23.666 1.0 72.12 ? 48 A 8 -ATOM 735 H HD12 . LEU A1 1 48 ? -16.342 11.591 -23.741 1.0 51.52 ? 48 A 8 -ATOM 736 H HD13 . LEU A1 1 48 ? -16.908 12.374 -25.216 1.0 50.13 ? 48 A 8 -ATOM 737 H HD21 . LEU A1 1 48 ? -15.288 12.619 -26.513 1.0 32.51 ? 48 A 8 -ATOM 738 H HD22 . LEU A1 1 48 ? -13.95 11.815 -25.691 1.0 4.35 ? 48 A 8 -ATOM 739 H HD23 . LEU A1 1 48 ? -13.811 13.513 -26.148 1.0 44.23 ? 48 A 8 -ATOM 740 N N . ILE A1 1 49 ? -16.398 17.651 -24.27 1.0 13.31 ? 49 A 8 -ATOM 741 C CA . ILE A1 1 49 ? -16.174 19.087 -24.384 1.0 13.25 ? 49 A 8 -ATOM 742 C C . ILE A1 1 49 ? -15.663 19.669 -23.071 1.0 73.24 ? 49 A 8 -ATOM 743 O O . ILE A1 1 49 ? -16.302 19.533 -22.028 1.0 20.41 ? 49 A 8 -ATOM 744 C CB . ILE A1 1 49 ? -17.461 19.826 -24.795 1.0 42.12 ? 49 A 8 -ATOM 745 C CG1 . ILE A1 1 49 ? -17.497 20.03 -26.311 1.0 21.4 ? 49 A 8 -ATOM 746 C CG2 . ILE A1 1 49 ? -17.557 21.162 -24.073 1.0 44.11 ? 49 A 8 -ATOM 747 C CD1 . ILE A1 1 49 ? -18.76 19.508 -26.96 1.0 30.32 ? 49 A 8 -ATOM 748 H H . ILE A1 1 49 ? -16.797 17.293 -23.45 1.0 11.12 ? 49 A 8 -ATOM 749 H HA . ILE A1 1 49 ? -15.43 19.247 -25.151 1.0 31.54 ? 49 A 8 -ATOM 750 H HB . ILE A1 1 49 ? -18.306 19.224 -24.499 1.0 10.22 ? 49 A 8 -ATOM 751 H HG12 . ILE A1 1 49 ? -17.424 21.083 -26.528 1.0 52.53 ? 49 A 8 -ATOM 752 H HG13 . ILE A1 1 49 ? -16.658 19.515 -26.755 1.0 23.14 ? 49 A 8 -ATOM 753 H HG21 . ILE A1 1 49 ? -17.771 20.993 -23.028 1.0 54.41 ? 49 A 8 -ATOM 754 H HG22 . ILE A1 1 49 ? -16.619 21.689 -24.166 1.0 2.4 ? 49 A 8 -ATOM 755 H HG23 . ILE A1 1 49 ? -18.347 21.753 -24.511 1.0 53.42 ? 49 A 8 -ATOM 756 H HD11 . ILE A1 1 49 ? -19.365 19.006 -26.219 1.0 43.14 ? 49 A 8 -ATOM 757 H HD12 . ILE A1 1 49 ? -19.317 20.333 -27.379 1.0 61.33 ? 49 A 8 -ATOM 758 H HD13 . ILE A1 1 49 ? -18.501 18.813 -27.744 1.0 3.14 ? 49 A 8 -ATOM 759 N N . PHE A1 1 50 ? -14.506 20.321 -23.13 1.0 0.44 ? 50 A 8 -ATOM 760 C CA . PHE A1 1 50 ? -13.909 20.927 -21.946 1.0 63.4 ? 50 A 8 -ATOM 761 C C . PHE A1 1 50 ? -13.563 22.391 -22.199 1.0 34.31 ? 50 A 8 -ATOM 762 O O . PHE A1 1 50 ? -12.823 22.714 -23.127 1.0 24.03 ? 50 A 8 -ATOM 763 C CB . PHE A1 1 50 ? -12.652 20.158 -21.533 1.0 1.31 ? 50 A 8 -ATOM 764 C CG . PHE A1 1 50 ? -12.142 20.529 -20.17 1.0 63.44 ? 50 A 8 -ATOM 765 C CD1 . PHE A1 1 50 ? -11.456 21.717 -19.972 1.0 63.22 ? 50 A 8 -ATOM 766 C CD2 . PHE A1 1 50 ? -12.349 19.691 -19.087 1.0 31.12 ? 50 A 8 -ATOM 767 C CE1 . PHE A1 1 50 ? -10.986 22.06 -18.719 1.0 44.05 ? 50 A 8 -ATOM 768 C CE2 . PHE A1 1 50 ? -11.881 20.03 -17.831 1.0 53.14 ? 50 A 8 -ATOM 769 C CZ . PHE A1 1 50 ? -11.2 21.217 -17.647 1.0 64.24 ? 50 A 8 -ATOM 770 H H . PHE A1 1 50 ? -14.044 20.397 -23.991 1.0 32.43 ? 50 A 8 -ATOM 771 H HA . PHE A1 1 50 ? -14.632 20.873 -21.147 1.0 55.42 ? 50 A 8 -ATOM 772 H HB2 . PHE A1 1 50 ? -12.87 19.101 -21.529 1.0 72.21 ? 50 A 8 -ATOM 773 H HB3 . PHE A1 1 50 ? -11.867 20.356 -22.248 1.0 52.42 ? 50 A 8 -ATOM 774 H HD1 . PHE A1 1 50 ? -11.289 22.378 -20.81 1.0 64.41 ? 50 A 8 -ATOM 775 H HD2 . PHE A1 1 50 ? -12.883 18.762 -19.23 1.0 25.0 ? 50 A 8 -ATOM 776 H HE1 . PHE A1 1 50 ? -10.453 22.989 -18.578 1.0 33.34 ? 50 A 8 -ATOM 777 H HE2 . PHE A1 1 50 ? -12.051 19.367 -16.995 1.0 34.14 ? 50 A 8 -ATOM 778 H HZ . PHE A1 1 50 ? -10.833 21.483 -16.667 1.0 42.2 ? 50 A 8 -ATOM 779 N N . GLY A1 1 51 ? -14.105 23.274 -21.365 1.0 53.44 ? 51 A 8 -ATOM 780 C CA . GLY A1 1 51 ? -13.843 24.693 -21.515 1.0 33.5 ? 51 A 8 -ATOM 781 C C . GLY A1 1 51 ? -14.419 25.257 -22.8 1.0 34.32 ? 51 A 8 -ATOM 782 O O . GLY A1 1 51 ? -14.127 26.392 -23.173 1.0 0.02 ? 51 A 8 -ATOM 783 H H . GLY A1 1 51 ? -14.687 22.958 -20.643 1.0 14.34 ? 51 A 8 -ATOM 784 H HA2 . GLY A1 1 51 ? -14.277 25.219 -20.678 1.0 71.3 ? 51 A 8 -ATOM 785 H HA3 . GLY A1 1 51 ? -12.775 24.853 -21.513 1.0 2.33 ? 51 A 8 -ATOM 786 N N . GLY A1 1 52 ? -15.239 24.46 -23.478 1.0 51.33 ? 52 A 8 -ATOM 787 C CA . GLY A1 1 52 ? -15.842 24.902 -24.722 1.0 70.11 ? 52 A 8 -ATOM 788 C C . GLY A1 1 52 ? -15.308 24.15 -25.925 1.0 64.35 ? 52 A 8 -ATOM 789 O O . GLY A1 1 52 ? -16.016 23.964 -26.915 1.0 21.12 ? 52 A 8 -ATOM 790 H H . GLY A1 1 52 ? -15.436 23.564 -23.132 1.0 52.33 ? 52 A 8 -ATOM 791 H HA2 . GLY A1 1 52 ? -16.91 24.755 -24.663 1.0 34.31 ? 52 A 8 -ATOM 792 H HA3 . GLY A1 1 52 ? -15.641 25.955 -24.852 1.0 33.12 ? 52 A 8 -ATOM 793 N N . LYS A1 1 53 ? -14.055 23.718 -25.842 1.0 4.12 ? 53 A 8 -ATOM 794 C CA . LYS A1 1 53 ? -13.425 22.982 -26.932 1.0 20.15 ? 53 A 8 -ATOM 795 C C . LYS A1 1 53 ? -13.564 21.478 -26.725 1.0 12.34 ? 53 A 8 -ATOM 796 O O . LYS A1 1 53 ? -13.563 20.996 -25.593 1.0 53.3 ? 53 A 8 -ATOM 797 C CB . LYS A1 1 53 ? -11.945 23.358 -27.04 1.0 12.13 ? 53 A 8 -ATOM 798 C CG . LYS A1 1 53 ? -11.185 23.22 -25.732 1.0 34.42 ? 53 A 8 -ATOM 799 C CD . LYS A1 1 53 ? -10.567 21.84 -25.59 1.0 44.0 ? 53 A 8 -ATOM 800 C CE . LYS A1 1 53 ? -9.478 21.607 -26.626 1.0 75.53 ? 53 A 8 -ATOM 801 N NZ . LYS A1 1 53 ? -8.118 21.644 -26.02 1.0 61.53 ? 53 A 8 -ATOM 802 H H . LYS A1 1 53 ? -13.541 23.897 -25.026 1.0 32.12 ? 53 A 8 -ATOM 803 H HA . LYS A1 1 53 ? -13.925 23.255 -27.849 1.0 74.23 ? 53 A 8 -ATOM 804 H HB2 . LYS A1 1 53 ? -11.476 22.719 -27.774 1.0 34.02 ? 53 A 8 -ATOM 805 H HB3 . LYS A1 1 53 ? -11.87 24.385 -27.369 1.0 32.22 ? 53 A 8 -ATOM 806 H HG2 . LYS A1 1 53 ? -10.399 23.96 -25.703 1.0 24.24 ? 53 A 8 -ATOM 807 H HG3 . LYS A1 1 53 ? -11.868 23.386 -24.911 1.0 53.0 ? 53 A 8 -ATOM 808 H HD2 . LYS A1 1 53 ? -10.135 21.748 -24.604 1.0 22.42 ? 53 A 8 -ATOM 809 H HD3 . LYS A1 1 53 ? -11.339 21.094 -25.717 1.0 0.05 ? 53 A 8 -ATOM 810 H HE2 . LYS A1 1 53 ? -9.634 20.642 -27.082 1.0 25.2 ? 53 A 8 -ATOM 811 H HE3 . LYS A1 1 53 ? -9.548 22.377 -27.381 1.0 75.24 ? 53 A 8 -ATOM 812 H HZ1 . LYS A1 1 53 ? -7.683 22.576 -26.175 1.0 1.33 ? 53 A 8 -ATOM 813 H HZ2 . LYS A1 1 53 ? -7.515 20.915 -26.452 1.0 14.14 ? 53 A 8 -ATOM 814 H HZ3 . LYS A1 1 53 ? -8.178 21.467 -24.997 1.0 31.25 ? 53 A 8 -ATOM 815 N N . GLN A1 1 54 ? -13.682 20.742 -27.826 1.0 32.1 ? 54 A 8 -ATOM 816 C CA . GLN A1 1 54 ? -13.821 19.292 -27.763 1.0 3.14 ? 54 A 8 -ATOM 817 C C . GLN A1 1 54 ? -12.519 18.639 -27.311 1.0 14.5 ? 54 A 8 -ATOM 818 O O . GLN A1 1 54 ? -11.467 19.279 -27.289 1.0 22.04 ? 54 A 8 -ATOM 819 C CB . GLN A1 1 54 ? -14.236 18.739 -29.128 1.0 14.03 ? 54 A 8 -ATOM 820 C CG . GLN A1 1 54 ? -15.551 17.976 -29.101 1.0 52.41 ? 54 A 8 -ATOM 821 C CD . GLN A1 1 54 ? -16.378 18.194 -30.352 1.0 44.23 ? 54 A 8 -ATOM 822 O OE1 . GLN A1 1 54 ? -17.494 18.71 -30.291 1.0 25.33 ? 54 A 8 -ATOM 823 N NE2 . GLN A1 1 54 ? -15.833 17.801 -31.498 1.0 63.1 ? 54 A 8 -ATOM 824 H H . GLN A1 1 54 ? -13.676 21.184 -28.699 1.0 52.11 ? 54 A 8 -ATOM 825 H HA . GLN A1 1 54 ? -14.592 19.064 -27.043 1.0 62.04 ? 54 A 8 -ATOM 826 H HB2 . GLN A1 1 54 ? -14.336 19.561 -29.821 1.0 31.24 ? 54 A 8 -ATOM 827 H HB3 . GLN A1 1 54 ? -13.465 18.071 -29.482 1.0 25.42 ? 54 A 8 -ATOM 828 H HG2 . GLN A1 1 54 ? -15.339 16.921 -29.007 1.0 52.11 ? 54 A 8 -ATOM 829 H HG3 . GLN A1 1 54 ? -16.124 18.304 -28.246 1.0 53.52 ? 54 A 8 -ATOM 830 H HE21 . GLN A1 1 54 ? -14.94 17.396 -31.47 1.0 45.55 ? 54 A 8 -ATOM 831 H HE22 . GLN A1 1 54 ? -16.346 17.929 -32.322 1.0 62.42 ? 54 A 8 -ATOM 832 N N . LEU A1 1 55 ? -12.597 17.363 -26.952 1.0 51.34 ? 55 A 8 -ATOM 833 C CA . LEU A1 1 55 ? -11.424 16.622 -26.5 1.0 40.45 ? 55 A 8 -ATOM 834 C C . LEU A1 1 55 ? -11.089 15.49 -27.466 1.0 63.5 ? 55 A 8 -ATOM 835 O O . LEU A1 1 55 ? -11.945 14.672 -27.798 1.0 52.11 ? 55 A 8 -ATOM 836 C CB . LEU A1 1 55 ? -11.661 16.058 -25.098 1.0 25.03 ? 55 A 8 -ATOM 837 C CG . LEU A1 1 55 ? -12.266 17.025 -24.079 1.0 41.33 ? 55 A 8 -ATOM 838 C CD1 . LEU A1 1 55 ? -12.309 16.388 -22.699 1.0 33.24 ? 55 A 8 -ATOM 839 C CD2 . LEU A1 1 55 ? -11.476 18.325 -24.044 1.0 52.23 ? 55 A 8 -ATOM 840 H H . LEU A1 1 55 ? -13.462 16.906 -26.991 1.0 12.34 ? 55 A 8 -ATOM 841 H HA . LEU A1 1 55 ? -10.591 17.309 -26.467 1.0 22.21 ? 55 A 8 -ATOM 842 H HB2 . LEU A1 1 55 ? -12.328 15.215 -25.19 1.0 55.1 ? 55 A 8 -ATOM 843 H HB3 . LEU A1 1 55 ? -10.709 15.722 -24.712 1.0 51.11 ? 55 A 8 -ATOM 844 H HG . LEU A1 1 55 ? -13.281 17.257 -24.371 1.0 72.12 ? 55 A 8 -ATOM 845 H HD11 . LEU A1 1 55 ? -12.173 17.149 -21.947 1.0 32.04 ? 55 A 8 -ATOM 846 H HD12 . LEU A1 1 55 ? -11.52 15.655 -22.616 1.0 44.35 ? 55 A 8 -ATOM 847 H HD13 . LEU A1 1 55 ? -13.264 15.905 -22.555 1.0 32.21 ? 55 A 8 -ATOM 848 H HD21 . LEU A1 1 55 ? -12.079 19.123 -24.451 1.0 33.14 ? 55 A 8 -ATOM 849 H HD22 . LEU A1 1 55 ? -10.578 18.216 -24.633 1.0 72.01 ? 55 A 8 -ATOM 850 H HD23 . LEU A1 1 55 ? -11.211 18.558 -23.023 1.0 74.33 ? 55 A 8 -ATOM 851 N N . GLU A1 1 56 ? -9.837 15.45 -27.912 1.0 12.02 ? 56 A 8 -ATOM 852 C CA . GLU A1 1 56 ? -9.389 14.417 -28.838 1.0 31.33 ? 56 A 8 -ATOM 853 C C . GLU A1 1 56 ? -9.393 13.046 -28.168 1.0 62.51 ? 56 A 8 -ATOM 854 O O . GLU A1 1 56 ? -9.828 12.903 -27.025 1.0 51.02 ? 56 A 8 -ATOM 855 C CB . GLU A1 1 56 ? -7.986 14.739 -29.357 1.0 62.01 ? 56 A 8 -ATOM 856 C CG . GLU A1 1 56 ? -7.895 14.792 -30.873 1.0 21.02 ? 56 A 8 -ATOM 857 C CD . GLU A1 1 56 ? -6.521 15.207 -31.361 1.0 1.0 ? 56 A 8 -ATOM 858 O OE1 . GLU A1 1 56 ? -6.161 16.39 -31.184 1.0 61.34 ? 56 A 8 -ATOM 859 O OE2 . GLU A1 1 56 ? -5.805 14.35 -31.918 1.0 22.01 ? 56 A 8 -ATOM 860 H H . GLU A1 1 56 ? -9.2 16.131 -27.61 1.0 72.43 ? 56 A 8 -ATOM 861 H HA . GLU A1 1 56 ? -10.075 14.399 -29.671 1.0 4.21 ? 56 A 8 -ATOM 862 H HB2 . GLU A1 1 56 ? -7.682 15.698 -28.965 1.0 41.11 ? 56 A 8 -ATOM 863 H HB3 . GLU A1 1 56 ? -7.302 13.982 -29.003 1.0 51.02 ? 56 A 8 -ATOM 864 H HG2 . GLU A1 1 56 ? -8.12 13.814 -31.269 1.0 71.31 ? 56 A 8 -ATOM 865 H HG3 . GLU A1 1 56 ? -8.621 15.503 -31.24 1.0 60.44 ? 56 A 8 -ATOM 866 N N . ASP A1 1 57 ? -8.907 12.041 -28.888 1.0 71.03 ? 57 A 8 -ATOM 867 C CA . ASP A1 1 57 ? -8.853 10.681 -28.364 1.0 63.41 ? 57 A 8 -ATOM 868 C C . ASP A1 1 57 ? -7.76 10.548 -27.309 1.0 21.4 ? 57 A 8 -ATOM 869 O O . ASP A1 1 57 ? -7.824 9.678 -26.44 1.0 43.31 ? 57 A 8 -ATOM 870 C CB . ASP A1 1 57 ? -8.61 9.684 -29.498 1.0 45.31 ? 57 A 8 -ATOM 871 C CG . ASP A1 1 57 ? -9.717 9.702 -30.533 1.0 55.43 ? 57 A 8 -ATOM 872 O OD1 . ASP A1 1 57 ? -10.895 9.552 -30.144 1.0 72.35 ? 57 A 8 -ATOM 873 O OD2 . ASP A1 1 57 ? -9.407 9.867 -31.731 1.0 15.11 ? 57 A 8 -ATOM 874 H H . ASP A1 1 57 ? -8.575 12.218 -29.793 1.0 23.12 ? 57 A 8 -ATOM 875 H HA . ASP A1 1 57 ? -9.806 10.465 -27.906 1.0 62.14 ? 57 A 8 -ATOM 876 H HB2 . ASP A1 1 57 ? -7.679 9.929 -29.99 1.0 24.44 ? 57 A 8 -ATOM 877 H HB3 . ASP A1 1 57 ? -8.543 8.689 -29.085 1.0 64.03 ? 57 A 8 -ATOM 878 N N . SER A1 1 58 ? -6.756 11.415 -27.392 1.0 32.51 ? 58 A 8 -ATOM 879 C CA . SER A1 1 58 ? -5.645 11.391 -26.448 1.0 62.24 ? 58 A 8 -ATOM 880 C C . SER A1 1 58 ? -5.684 12.61 -25.532 1.0 2.12 ? 58 A 8 -ATOM 881 O O . SER A1 1 58 ? -4.791 12.813 -24.711 1.0 12.21 ? 58 A 8 -ATOM 882 C CB . SER A1 1 58 ? -4.312 11.345 -27.197 1.0 65.11 ? 58 A 8 -ATOM 883 O OG . SER A1 1 58 ? -3.226 11.201 -26.297 1.0 34.21 ? 58 A 8 -ATOM 884 H H . SER A1 1 58 ? -6.761 12.085 -28.108 1.0 21.03 ? 58 A 8 -ATOM 885 H HA . SER A1 1 58 ? -5.741 10.5 -25.846 1.0 33.55 ? 58 A 8 -ATOM 886 H HB2 . SER A1 1 58 ? -4.313 10.507 -27.877 1.0 31.42 ? 58 A 8 -ATOM 887 H HB3 . SER A1 1 58 ? -4.183 12.261 -27.754 1.0 40.4 ? 58 A 8 -ATOM 888 H HG . SER A1 1 58 ? -2.462 10.862 -26.769 1.0 10.23 ? 58 A 8 -ATOM 889 N N . ASN A1 1 59 ? -6.728 13.42 -25.679 1.0 35.41 ? 59 A 8 -ATOM 890 C CA . ASN A1 1 59 ? -6.885 14.62 -24.866 1.0 52.34 ? 59 A 8 -ATOM 891 C C . ASN A1 1 59 ? -7.578 14.296 -23.546 1.0 4.01 ? 59 A 8 -ATOM 892 O O . ASN A1 1 59 ? -8.779 14.517 -23.393 1.0 42.21 ? 59 A 8 -ATOM 893 C CB . ASN A1 1 59 ? -7.686 15.677 -25.629 1.0 21.1 ? 59 A 8 -ATOM 894 C CG . ASN A1 1 59 ? -7.604 17.045 -24.98 1.0 14.54 ? 59 A 8 -ATOM 895 O OD1 . ASN A1 1 59 ? -7.754 17.178 -23.765 1.0 24.42 ? 59 A 8 -ATOM 896 N ND2 . ASN A1 1 59 ? -7.366 18.071 -25.789 1.0 14.44 ? 59 A 8 -ATOM 897 H H . ASN A1 1 59 ? -7.409 13.205 -26.351 1.0 5.51 ? 59 A 8 -ATOM 898 H HA . ASN A1 1 59 ? -5.901 15.01 -24.657 1.0 74.51 ? 59 A 8 -ATOM 899 H HB2 . ASN A1 1 59 ? -7.301 15.754 -26.636 1.0 43.43 ? 59 A 8 -ATOM 900 H HB3 . ASN A1 1 59 ? -8.723 15.378 -25.667 1.0 11.21 ? 59 A 8 -ATOM 901 H HD21 . ASN A1 1 59 ? -7.258 17.89 -26.747 1.0 21.33 ? 59 A 8 -ATOM 902 H HD22 . ASN A1 1 59 ? -7.308 18.966 -25.396 1.0 12.0 ? 59 A 8 -ATOM 903 N N . ALA A1 1 60 ? -6.812 13.773 -22.595 1.0 13.11 ? 60 A 8 -ATOM 904 C CA . ALA A1 1 60 ? -7.35 13.421 -21.287 1.0 35.51 ? 60 A 8 -ATOM 905 C C . ALA A1 1 60 ? -6.24 12.995 -20.332 1.0 74.01 ? 60 A 8 -ATOM 906 O O . ALA A1 1 60 ? -5.789 13.782 -19.5 1.0 74.24 ? 60 A 8 -ATOM 907 C CB . ALA A1 1 60 ? -8.385 12.314 -21.423 1.0 64.13 ? 60 A 8 -ATOM 908 H H . ALA A1 1 60 ? -5.861 13.621 -22.777 1.0 31.12 ? 60 A 8 -ATOM 909 H HA . ALA A1 1 60 ? -7.844 14.294 -20.883 1.0 20.01 ? 60 A 8 -ATOM 910 H HB1 . ALA A1 1 60 ? -7.928 11.449 -21.881 1.0 72.33 ? 60 A 8 -ATOM 911 H HB2 . ALA A1 1 60 ? -8.759 12.049 -20.445 1.0 25.02 ? 60 A 8 -ATOM 912 H HB3 . ALA A1 1 60 ? -9.202 12.659 -22.04 1.0 51.02 ? 60 A 8 -ATOM 913 N N . MET A1 1 61 ? -5.804 11.746 -20.458 1.0 21.52 ? 61 A 8 -ATOM 914 C CA . MET A1 1 61 ? -4.746 11.217 -19.606 1.0 32.03 ? 61 A 8 -ATOM 915 C C . MET A1 1 61 ? -3.389 11.784 -20.009 1.0 55.14 ? 61 A 8 -ATOM 916 O O . MET A1 1 61 ? -2.715 12.434 -19.21 1.0 73.23 ? 61 A 8 -ATOM 917 C CB . MET A1 1 61 ? -4.716 9.689 -19.682 1.0 33.12 ? 61 A 8 -ATOM 918 C CG . MET A1 1 61 ? -6.098 9.056 -19.714 1.0 10.31 ? 61 A 8 -ATOM 919 S SD . MET A1 1 61 ? -7.178 9.679 -18.411 1.0 3.45 ? 61 A 8 -ATOM 920 C CE . MET A1 1 61 ? -8.764 9.646 -19.243 1.0 11.34 ? 61 A 8 -ATOM 921 H H . MET A1 1 61 ? -6.203 11.166 -21.141 1.0 44.35 ? 61 A 8 -ATOM 922 H HA . MET A1 1 61 ? -4.96 11.514 -18.59 1.0 14.21 ? 61 A 8 -ATOM 923 H HB2 . MET A1 1 61 ? -4.189 9.395 -20.577 1.0 14.23 ? 61 A 8 -ATOM 924 H HB3 . MET A1 1 61 ? -4.189 9.307 -18.821 1.0 0.24 ? 61 A 8 -ATOM 925 H HG2 . MET A1 1 61 ? -6.554 9.264 -20.67 1.0 62.14 ? 61 A 8 -ATOM 926 H HG3 . MET A1 1 61 ? -5.991 7.988 -19.594 1.0 32.0 ? 61 A 8 -ATOM 927 H HE1 . MET A1 1 61 ? -9.24 10.611 -19.147 1.0 54.23 ? 61 A 8 -ATOM 928 H HE2 . MET A1 1 61 ? -8.618 9.419 -20.288 1.0 64.31 ? 61 A 8 -ATOM 929 H HE3 . MET A1 1 61 ? -9.39 8.889 -18.794 1.0 24.11 ? 61 A 8 -ATOM 930 N N . SER A1 1 62 ? -2.993 11.533 -21.253 1.0 73.15 ? 62 A 8 -ATOM 931 C CA . SER A1 1 62 ? -1.714 12.015 -21.761 1.0 12.22 ? 62 A 8 -ATOM 932 C C . SER A1 1 62 ? -1.625 13.535 -21.654 1.0 13.52 ? 62 A 8 -ATOM 933 O O . SER A1 1 62 ? -0.552 14.09 -21.417 1.0 42.51 ? 62 A 8 -ATOM 934 C CB . SER A1 1 62 ? -1.523 11.583 -23.216 1.0 62.33 ? 62 A 8 -ATOM 935 O OG . SER A1 1 62 ? -0.885 12.599 -23.97 1.0 14.13 ? 62 A 8 -ATOM 936 H H . SER A1 1 62 ? -3.575 11.009 -21.843 1.0 74.25 ? 62 A 8 -ATOM 937 H HA . SER A1 1 62 ? -0.932 11.578 -21.158 1.0 74.15 ? 62 A 8 -ATOM 938 H HB2 . SER A1 1 62 ? -0.914 10.692 -23.247 1.0 54.41 ? 62 A 8 -ATOM 939 H HB3 . SER A1 1 62 ? -2.487 11.375 -23.656 1.0 23.45 ? 62 A 8 -ATOM 940 H HG . SER A1 1 62 ? -1.545 13.095 -24.46 1.0 1.23 ? 62 A 8 -ATOM 941 N N . ASP A1 1 63 ? -2.761 14.201 -21.83 1.0 34.33 ? 63 A 8 -ATOM 942 C CA . ASP A1 1 63 ? -2.814 15.656 -21.753 1.0 10.21 ? 63 A 8 -ATOM 943 C C . ASP A1 1 63 ? -2.322 16.147 -20.395 1.0 63.54 ? 63 A 8 -ATOM 944 O O . ASP A1 1 63 ? -1.86 17.281 -20.263 1.0 31.33 ? 63 A 8 -ATOM 945 C CB . ASP A1 1 63 ? -4.24 16.15 -22.002 1.0 21.1 ? 63 A 8 -ATOM 946 C CG . ASP A1 1 63 ? -4.283 17.605 -22.425 1.0 12.2 ? 63 A 8 -ATOM 947 O OD1 . ASP A1 1 63 ? -4.236 18.483 -21.538 1.0 53.24 ? 63 A 8 -ATOM 948 O OD2 . ASP A1 1 63 ? -4.362 17.866 -23.643 1.0 3.13 ? 63 A 8 -ATOM 949 H H . ASP A1 1 63 ? -3.584 13.702 -22.016 1.0 14.4 ? 63 A 8 -ATOM 950 H HA . ASP A1 1 63 ? -2.166 16.053 -22.521 1.0 72.42 ? 63 A 8 -ATOM 951 H HB2 . ASP A1 1 63 ? -4.689 15.554 -22.783 1.0 63.34 ? 63 A 8 -ATOM 952 H HB3 . ASP A1 1 63 ? -4.815 16.04 -21.095 1.0 44.51 ? 63 A 8 -ATOM 953 N N . TYR A1 1 64 ? -2.424 15.286 -19.389 1.0 43.15 ? 64 A 8 -ATOM 954 C CA . TYR A1 1 64 ? -1.993 15.633 -18.04 1.0 74.44 ? 64 A 8 -ATOM 955 C C . TYR A1 1 64 ? -3.036 16.5 -17.341 1.0 35.31 ? 64 A 8 -ATOM 956 O O . TYR A1 1 64 ? -2.725 17.222 -16.394 1.0 63.11 ? 64 A 8 -ATOM 957 C CB . TYR A1 1 64 ? -0.651 16.365 -18.083 1.0 41.31 ? 64 A 8 -ATOM 958 C CG . TYR A1 1 64 ? 0.176 16.187 -16.83 1.0 35.31 ? 64 A 8 -ATOM 959 C CD1 . TYR A1 1 64 ? 0.744 14.959 -16.517 1.0 10.21 ? 64 A 8 -ATOM 960 C CD2 . TYR A1 1 64 ? 0.389 17.248 -15.958 1.0 61.0 ? 64 A 8 -ATOM 961 C CE1 . TYR A1 1 64 ? 1.5 14.792 -15.372 1.0 31.32 ? 64 A 8 -ATOM 962 C CE2 . TYR A1 1 64 ? 1.144 17.091 -14.812 1.0 3.01 ? 64 A 8 -ATOM 963 C CZ . TYR A1 1 64 ? 1.697 15.861 -14.524 1.0 35.43 ? 64 A 8 -ATOM 964 O OH . TYR A1 1 64 ? 2.449 15.7 -13.383 1.0 23.32 ? 64 A 8 -ATOM 965 H H . TYR A1 1 64 ? -2.801 14.397 -19.556 1.0 10.22 ? 64 A 8 -ATOM 966 H HA . TYR A1 1 64 ? -1.874 14.715 -17.483 1.0 40.51 ? 64 A 8 -ATOM 967 H HB2 . TYR A1 1 64 ? -0.073 15.994 -18.916 1.0 75.32 ? 64 A 8 -ATOM 968 H HB3 . TYR A1 1 64 ? -0.829 17.422 -18.217 1.0 32.34 ? 64 A 8 -ATOM 969 H HD1 . TYR A1 1 64 ? 0.588 14.123 -17.183 1.0 1.35 ? 64 A 8 -ATOM 970 H HD2 . TYR A1 1 64 ? -0.046 18.21 -16.187 1.0 32.41 ? 64 A 8 -ATOM 971 H HE1 . TYR A1 1 64 ? 1.934 13.829 -15.146 1.0 52.21 ? 64 A 8 -ATOM 972 H HE2 . TYR A1 1 64 ? 1.299 17.928 -14.147 1.0 43.14 ? 64 A 8 -ATOM 973 H HH . TYR A1 1 64 ? 3.372 15.586 -13.621 1.0 23.33 ? 64 A 8 -ATOM 974 N N . ASN A1 1 65 ? -4.275 16.423 -17.815 1.0 61.21 ? 65 A 8 -ATOM 975 C CA . ASN A1 1 65 ? -5.365 17.2 -17.237 1.0 70.22 ? 65 A 8 -ATOM 976 C C . ASN A1 1 65 ? -6.359 16.292 -16.52 1.0 21.44 ? 65 A 8 -ATOM 977 O O . ASN A1 1 65 ? -7.449 16.723 -16.142 1.0 22.24 ? 65 A 8 -ATOM 978 C CB . ASN A1 1 65 ? -6.082 18.001 -18.326 1.0 30.31 ? 65 A 8 -ATOM 979 C CG . ASN A1 1 65 ? -7.105 17.17 -19.076 1.0 75.23 ? 65 A 8 -ATOM 980 O OD1 . ASN A1 1 65 ? -6.757 16.208 -19.761 1.0 74.2 ? 65 A 8 -ATOM 981 N ND2 . ASN A1 1 65 ? -8.374 17.539 -18.95 1.0 12.4 ? 65 A 8 -ATOM 982 H H . ASN A1 1 65 ? -4.461 15.829 -18.573 1.0 72.01 ? 65 A 8 -ATOM 983 H HA . ASN A1 1 65 ? -4.939 17.886 -16.52 1.0 43.44 ? 65 A 8 -ATOM 984 H HB2 . ASN A1 1 65 ? -6.59 18.839 -17.872 1.0 12.24 ? 65 A 8 -ATOM 985 H HB3 . ASN A1 1 65 ? -5.353 18.368 -19.033 1.0 73.02 ? 65 A 8 -ATOM 986 H HD21 . ASN A1 1 65 ? -8.577 18.316 -18.388 1.0 23.44 ? 65 A 8 -ATOM 987 H HD22 . ASN A1 1 65 ? -9.056 17.019 -19.424 1.0 32.24 ? 65 A 8 -ATOM 988 N N . VAL A1 1 66 ? -5.976 15.033 -16.334 1.0 11.4 ? 66 A 8 -ATOM 989 C CA . VAL A1 1 66 ? -6.832 14.064 -15.661 1.0 70.45 ? 66 A 8 -ATOM 990 C C . VAL A1 1 66 ? -6.594 14.073 -14.155 1.0 73.11 ? 66 A 8 -ATOM 991 O O . VAL A1 1 66 ? -5.469 13.884 -13.694 1.0 33.12 ? 66 A 8 -ATOM 992 C CB . VAL A1 1 66 ? -6.599 12.64 -16.198 1.0 40.11 ? 66 A 8 -ATOM 993 C CG1 . VAL A1 1 66 ? -5.161 12.207 -15.957 1.0 32.21 ? 66 A 8 -ATOM 994 C CG2 . VAL A1 1 66 ? -7.573 11.663 -15.557 1.0 25.13 ? 66 A 8 -ATOM 995 H H . VAL A1 1 66 ? -5.095 14.749 -16.657 1.0 25.31 ? 66 A 8 -ATOM 996 H HA . VAL A1 1 66 ? -7.86 14.336 -15.855 1.0 44.24 ? 66 A 8 -ATOM 997 H HB . VAL A1 1 66 ? -6.776 12.645 -17.263 1.0 65.05 ? 66 A 8 -ATOM 998 H HG11 . VAL A1 1 66 ? -4.952 11.316 -16.531 1.0 62.5 ? 66 A 8 -ATOM 999 H HG12 . VAL A1 1 66 ? -4.491 12.998 -16.261 1.0 4.5 ? 66 A 8 -ATOM 1000 H HG13 . VAL A1 1 66 ? -5.019 11.999 -14.906 1.0 12.32 ? 66 A 8 -ATOM 1001 H HG21 . VAL A1 1 66 ? -8.568 11.846 -15.934 1.0 23.4 ? 66 A 8 -ATOM 1002 H HG22 . VAL A1 1 66 ? -7.277 10.652 -15.795 1.0 64.2 ? 66 A 8 -ATOM 1003 H HG23 . VAL A1 1 66 ? -7.565 11.797 -14.484 1.0 74.31 ? 66 A 8 -ATOM 1004 N N . GLN A1 1 67 ? -7.661 14.295 -13.394 1.0 5.43 ? 67 A 8 -ATOM 1005 C CA . GLN A1 1 67 ? -7.567 14.329 -11.939 1.0 15.5 ? 67 A 8 -ATOM 1006 C C . GLN A1 1 67 ? -8.503 13.303 -11.309 1.0 62.54 ? 67 A 8 -ATOM 1007 O O . GLN A1 1 67 ? -9.222 12.59 -12.01 1.0 44.01 ? 67 A 8 -ATOM 1008 C CB . GLN A1 1 67 ? -7.9 15.728 -11.418 1.0 35.11 ? 67 A 8 -ATOM 1009 C CG . GLN A1 1 67 ? -9.322 16.169 -11.725 1.0 11.21 ? 67 A 8 -ATOM 1010 C CD . GLN A1 1 67 ? -9.394 17.595 -12.235 1.0 34.44 ? 67 A 8 -ATOM 1011 O OE1 . GLN A1 1 67 ? -10.131 18.422 -11.698 1.0 41.54 ? 67 A 8 -ATOM 1012 N NE2 . GLN A1 1 67 ? -8.626 17.89 -13.277 1.0 50.51 ? 67 A 8 -ATOM 1013 H H . GLN A1 1 67 ? -8.531 14.439 -13.82 1.0 54.23 ? 67 A 8 -ATOM 1014 H HA . GLN A1 1 67 ? -6.551 14.085 -11.667 1.0 21.13 ? 67 A 8 -ATOM 1015 H HB2 . GLN A1 1 67 ? -7.765 15.742 -10.347 1.0 61.05 ? 67 A 8 -ATOM 1016 H HB3 . GLN A1 1 67 ? -7.221 16.437 -11.868 1.0 21.05 ? 67 A 8 -ATOM 1017 H HG2 . GLN A1 1 67 ? -9.735 15.513 -12.477 1.0 63.24 ? 67 A 8 -ATOM 1018 H HG3 . GLN A1 1 67 ? -9.911 16.095 -10.822 1.0 63.02 ? 67 A 8 -ATOM 1019 H HE21 . GLN A1 1 67 ? -8.064 17.18 -13.654 1.0 0.12 ? 67 A 8 -ATOM 1020 H HE22 . GLN A1 1 67 ? -8.653 18.804 -13.628 1.0 72.41 ? 67 A 8 -ATOM 1021 N N . LYS A1 1 68 ? -8.49 13.232 -9.983 1.0 63.33 ? 68 A 8 -ATOM 1022 C CA . LYS A1 1 68 ? -9.338 12.294 -9.257 1.0 34.0 ? 68 A 8 -ATOM 1023 C C . LYS A1 1 68 ? -10.813 12.627 -9.457 1.0 33.21 ? 68 A 8 -ATOM 1024 O O . LYS A1 1 68 ? -11.668 11.743 -9.416 1.0 33.01 ? 68 A 8 -ATOM 1025 C CB . LYS A1 1 68 ? -8.997 12.317 -7.765 1.0 41.41 ? 68 A 8 -ATOM 1026 C CG . LYS A1 1 68 ? -9.835 11.359 -6.935 1.0 61.44 ? 68 A 8 -ATOM 1027 C CD . LYS A1 1 68 ? -9.584 9.913 -7.329 1.0 43.41 ? 68 A 8 -ATOM 1028 C CE . LYS A1 1 68 ? -8.613 9.237 -6.373 1.0 23.43 ? 68 A 8 -ATOM 1029 N NZ . LYS A1 1 68 ? -9.154 9.169 -4.988 1.0 52.05 ? 68 A 8 -ATOM 1030 H H . LYS A1 1 68 ? -7.894 13.827 -9.479 1.0 75.53 ? 68 A 8 -ATOM 1031 H HA . LYS A1 1 68 ? -9.148 11.306 -9.646 1.0 31.4 ? 68 A 8 -ATOM 1032 H HB2 . LYS A1 1 68 ? -7.957 12.052 -7.641 1.0 51.5 ? 68 A 8 -ATOM 1033 H HB3 . LYS A1 1 68 ? -9.152 13.317 -7.387 1.0 62.4 ? 68 A 8 -ATOM 1034 H HG2 . LYS A1 1 68 ? -9.585 11.486 -5.893 1.0 22.33 ? 68 A 8 -ATOM 1035 H HG3 . LYS A1 1 68 ? -10.881 11.587 -7.087 1.0 45.02 ? 68 A 8 -ATOM 1036 H HD2 . LYS A1 1 68 ? -10.52 9.376 -7.312 1.0 14.2 ? 68 A 8 -ATOM 1037 H HD3 . LYS A1 1 68 ? -9.17 9.888 -8.327 1.0 13.53 ? 68 A 8 -ATOM 1038 H HE2 . LYS A1 1 68 ? -8.421 8.235 -6.725 1.0 43.13 ? 68 A 8 -ATOM 1039 H HE3 . LYS A1 1 68 ? -7.689 9.797 -6.363 1.0 63.42 ? 68 A 8 -ATOM 1040 H HZ1 . LYS A1 1 68 ? -10.044 9.703 -4.925 1.0 1.54 ? 68 A 8 -ATOM 1041 H HZ2 . LYS A1 1 68 ? -8.471 9.576 -4.317 1.0 73.32 ? 68 A 8 -ATOM 1042 H HZ3 . LYS A1 1 68 ? -9.335 8.181 -4.722 1.0 23.44 ? 68 A 8 -ATOM 1043 N N . GLU A1 1 69 ? -11.102 13.906 -9.676 1.0 51.1 ? 69 A 8 -ATOM 1044 C CA . GLU A1 1 69 ? -12.474 14.353 -9.884 1.0 15.41 ? 69 A 8 -ATOM 1045 C C . GLU A1 1 69 ? -12.534 15.451 -10.942 1.0 20.25 ? 69 A 8 -ATOM 1046 O O . GLU A1 1 69 ? -12.669 16.632 -10.62 1.0 55.15 ? 69 A 8 -ATOM 1047 C CB . GLU A1 1 69 ? -13.073 14.862 -8.571 1.0 42.14 ? 69 A 8 -ATOM 1048 C CG . GLU A1 1 69 ? -12.162 15.816 -7.816 1.0 32.44 ? 69 A 8 -ATOM 1049 C CD . GLU A1 1 69 ? -12.931 16.803 -6.96 1.0 60.3 ? 69 A 8 -ATOM 1050 O OE1 . GLU A1 1 69 ? -13.66 16.358 -6.05 1.0 52.11 ? 69 A 8 -ATOM 1051 O OE2 . GLU A1 1 69 ? -12.803 18.022 -7.202 1.0 33.22 ? 69 A 8 -ATOM 1052 H H . GLU A1 1 69 ? -10.376 14.564 -9.698 1.0 51.55 ? 69 A 8 -ATOM 1053 H HA . GLU A1 1 69 ? -13.05 13.507 -10.227 1.0 21.13 ? 69 A 8 -ATOM 1054 H HB2 . GLU A1 1 69 ? -13.998 15.375 -8.786 1.0 70.35 ? 69 A 8 -ATOM 1055 H HB3 . GLU A1 1 69 ? -13.281 14.016 -7.933 1.0 25.14 ? 69 A 8 -ATOM 1056 H HG2 . GLU A1 1 69 ? -11.51 15.24 -7.175 1.0 60.54 ? 69 A 8 -ATOM 1057 H HG3 . GLU A1 1 69 ? -11.567 16.366 -8.53 1.0 2.43 ? 69 A 8 -ATOM 1058 N N . SER A1 1 70 ? -12.433 15.053 -12.206 1.0 51.41 ? 70 A 8 -ATOM 1059 C CA . SER A1 1 70 ? -12.471 16.002 -13.312 1.0 50.24 ? 70 A 8 -ATOM 1060 C C . SER A1 1 70 ? -13.877 16.098 -13.897 1.0 72.1 ? 70 A 8 -ATOM 1061 O O . SER A1 1 70 ? -14.464 15.094 -14.302 1.0 13.02 ? 70 A 8 -ATOM 1062 C CB . SER A1 1 70 ? -11.48 15.588 -14.402 1.0 75.43 ? 70 A 8 -ATOM 1063 O OG . SER A1 1 70 ? -10.619 16.661 -14.742 1.0 45.33 ? 70 A 8 -ATOM 1064 H H . SER A1 1 70 ? -12.327 14.097 -12.399 1.0 42.55 ? 70 A 8 -ATOM 1065 H HA . SER A1 1 70 ? -12.187 16.97 -12.928 1.0 61.25 ? 70 A 8 -ATOM 1066 H HB2 . SER A1 1 70 ? -10.883 14.762 -14.047 1.0 1.23 ? 70 A 8 -ATOM 1067 H HB3 . SER A1 1 70 ? -12.025 15.285 -15.284 1.0 50.33 ? 70 A 8 -ATOM 1068 H HG . SER A1 1 70 ? -11.121 17.344 -15.194 1.0 14.24 ? 70 A 8 -ATOM 1069 N N . THR A1 1 71 ? -14.412 17.314 -13.939 1.0 52.55 ? 71 A 8 -ATOM 1070 C CA . THR A1 1 71 ? -15.748 17.544 -14.473 1.0 43.33 ? 71 A 8 -ATOM 1071 C C . THR A1 1 71 ? -15.693 17.937 -15.945 1.0 63.44 ? 71 A 8 -ATOM 1072 O O . THR A1 1 71 ? -15.169 18.996 -16.295 1.0 13.52 ? 71 A 8 -ATOM 1073 C CB . THR A1 1 71 ? -16.486 18.643 -13.687 1.0 4.41 ? 71 A 8 -ATOM 1074 O OG1 . THR A1 1 71 ? -15.55 19.613 -13.204 1.0 4.41 ? 71 A 8 -ATOM 1075 C CG2 . THR A1 1 71 ? -17.256 18.049 -12.517 1.0 4.35 ? 71 A 8 -ATOM 1076 H H . THR A1 1 71 ? -13.894 18.075 -13.602 1.0 14.04 ? 71 A 8 -ATOM 1077 H HA . THR A1 1 71 ? -16.308 16.624 -14.377 1.0 24.13 ? 71 A 8 -ATOM 1078 H HB . THR A1 1 71 ? -17.188 19.13 -14.35 1.0 70.41 ? 71 A 8 -ATOM 1079 H HG1 . THR A1 1 71 ? -15.951 20.121 -12.495 1.0 53.11 ? 71 A 8 -ATOM 1080 H HG21 . THR A1 1 71 ? -16.706 17.212 -12.113 1.0 12.42 ? 71 A 8 -ATOM 1081 H HG22 . THR A1 1 71 ? -18.224 17.712 -12.857 1.0 75.2 ? 71 A 8 -ATOM 1082 H HG23 . THR A1 1 71 ? -17.384 18.799 -11.751 1.0 31.12 ? 71 A 8 -ATOM 1083 N N . LEU A1 1 72 ? -16.235 17.08 -16.802 1.0 74.32 ? 72 A 8 -ATOM 1084 C CA . LEU A1 1 72 ? -16.248 17.339 -18.238 1.0 62.12 ? 72 A 8 -ATOM 1085 C C . LEU A1 1 72 ? -17.667 17.26 -18.793 1.0 14.1 ? 72 A 8 -ATOM 1086 O O . LEU A1 1 72 ? -18.521 16.564 -18.244 1.0 22.33 ? 72 A 8 -ATOM 1087 C CB . LEU A1 1 72 ? -15.348 16.338 -18.965 1.0 54.24 ? 72 A 8 -ATOM 1088 C CG . LEU A1 1 72 ? -16.04 15.094 -19.522 1.0 12.34 ? 72 A 8 -ATOM 1089 C CD1 . LEU A1 1 72 ? -16.411 15.299 -20.983 1.0 71.53 ? 72 A 8 -ATOM 1090 C CD2 . LEU A1 1 72 ? -15.149 13.871 -19.362 1.0 45.31 ? 72 A 8 -ATOM 1091 H H . LEU A1 1 72 ? -16.637 16.253 -16.463 1.0 40.44 ? 72 A 8 -ATOM 1092 H HA . LEU A1 1 72 ? -15.866 18.336 -18.398 1.0 22.23 ? 72 A 8 -ATOM 1093 H HB2 . LEU A1 1 72 ? -14.879 16.853 -19.789 1.0 24.33 ? 72 A 8 -ATOM 1094 H HB3 . LEU A1 1 72 ? -14.588 16.011 -18.268 1.0 64.44 ? 72 A 8 -ATOM 1095 H HG . LEU A1 1 72 ? -16.953 14.919 -18.969 1.0 60.22 ? 72 A 8 -ATOM 1096 H HD11 . LEU A1 1 72 ? -16.052 14.464 -21.566 1.0 22.12 ? 72 A 8 -ATOM 1097 H HD12 . LEU A1 1 72 ? -15.959 16.211 -21.344 1.0 11.12 ? 72 A 8 -ATOM 1098 H HD13 . LEU A1 1 72 ? -17.485 15.369 -21.075 1.0 74.11 ? 72 A 8 -ATOM 1099 H HD21 . LEU A1 1 72 ? -15.481 13.093 -20.034 1.0 45.11 ? 72 A 8 -ATOM 1100 H HD22 . LEU A1 1 72 ? -15.206 13.515 -18.344 1.0 64.51 ? 72 A 8 -ATOM 1101 H HD23 . LEU A1 1 72 ? -14.128 14.137 -19.595 1.0 15.53 ? 72 A 8 -ATOM 1102 N N . HIS A1 1 73 ? -17.91 17.977 -19.885 1.0 22.1 ? 73 A 8 -ATOM 1103 C CA . HIS A1 1 73 ? -19.225 17.987 -20.517 1.0 43.22 ? 73 A 8 -ATOM 1104 C C . HIS A1 1 73 ? -19.276 16.999 -21.679 1.0 1.12 ? 73 A 8 -ATOM 1105 O O . HIS A1 1 73 ? -18.515 17.116 -22.64 1.0 41.41 ? 73 A 8 -ATOM 1106 C CB . HIS A1 1 73 ? -19.566 19.393 -21.011 1.0 34.11 ? 73 A 8 -ATOM 1107 C CG . HIS A1 1 73 ? -19.401 20.452 -19.966 1.0 25.31 ? 73 A 8 -ATOM 1108 N ND1 . HIS A1 1 73 ? -19.119 21.768 -20.266 1.0 22.31 ? 73 A 8 -ATOM 1109 C CD2 . HIS A1 1 73 ? -19.48 20.384 -18.616 1.0 30.12 ? 73 A 8 -ATOM 1110 C CE1 . HIS A1 1 73 ? -19.031 22.464 -19.146 1.0 74.03 ? 73 A 8 -ATOM 1111 N NE2 . HIS A1 1 73 ? -19.246 21.647 -18.13 1.0 22.32 ? 73 A 8 -ATOM 1112 H H . HIS A1 1 73 ? -17.188 18.513 -20.276 1.0 41.1 ? 73 A 8 -ATOM 1113 H HA . HIS A1 1 73 ? -19.951 17.689 -19.775 1.0 23.25 ? 73 A 8 -ATOM 1114 H HB2 . HIS A1 1 73 ? -18.921 19.642 -21.841 1.0 51.13 ? 73 A 8 -ATOM 1115 H HB3 . HIS A1 1 73 ? -20.594 19.411 -21.343 1.0 64.13 ? 73 A 8 -ATOM 1116 H HD1 . HIS A1 1 73 ? -19.0 22.137 -21.165 1.0 63.31 ? 73 A 8 -ATOM 1117 H HD2 . HIS A1 1 73 ? -19.689 19.501 -18.029 1.0 71.43 ? 73 A 8 -ATOM 1118 H HE1 . HIS A1 1 73 ? -18.819 23.52 -19.073 1.0 3.34 ? 73 A 8 -ATOM 1119 N N . LEU A1 1 74 ? -20.178 16.028 -21.584 1.0 31.4 ? 74 A 8 -ATOM 1120 C CA . LEU A1 1 74 ? -20.328 15.019 -22.627 1.0 41.22 ? 74 A 8 -ATOM 1121 C C . LEU A1 1 74 ? -21.638 15.211 -23.384 1.0 21.0 ? 74 A 8 -ATOM 1122 O O . LEU A1 1 74 ? -22.721 15.108 -22.809 1.0 70.53 ? 74 A 8 -ATOM 1123 C CB . LEU A1 1 74 ? -20.278 13.617 -22.018 1.0 42.32 ? 74 A 8 -ATOM 1124 C CG . LEU A1 1 74 ? -20.749 12.476 -22.922 1.0 13.02 ? 74 A 8 -ATOM 1125 C CD1 . LEU A1 1 74 ? -20.015 12.513 -24.253 1.0 50.12 ? 74 A 8 -ATOM 1126 C CD2 . LEU A1 1 74 ? -20.545 11.134 -22.235 1.0 22.4 ? 74 A 8 -ATOM 1127 H H . LEU A1 1 74 ? -20.756 15.987 -20.794 1.0 53.04 ? 74 A 8 -ATOM 1128 H HA . LEU A1 1 74 ? -19.506 15.133 -23.318 1.0 65.43 ? 74 A 8 -ATOM 1129 H HB2 . LEU A1 1 74 ? -19.257 13.415 -21.736 1.0 22.02 ? 74 A 8 -ATOM 1130 H HB3 . LEU A1 1 74 ? -20.901 13.618 -21.134 1.0 20.31 ? 74 A 8 -ATOM 1131 H HG . LEU A1 1 74 ? -21.805 12.595 -23.12 1.0 34.12 ? 74 A 8 -ATOM 1132 H HD11 . LEU A1 1 74 ? -19.014 12.887 -24.102 1.0 33.01 ? 74 A 8 -ATOM 1133 H HD12 . LEU A1 1 74 ? -20.543 13.161 -24.937 1.0 1.34 ? 74 A 8 -ATOM 1134 H HD13 . LEU A1 1 74 ? -19.969 11.516 -24.666 1.0 63.14 ? 74 A 8 -ATOM 1135 H HD21 . LEU A1 1 74 ? -21.057 11.134 -21.284 1.0 12.32 ? 74 A 8 -ATOM 1136 H HD22 . LEU A1 1 74 ? -19.49 10.968 -22.076 1.0 54.43 ? 74 A 8 -ATOM 1137 H HD23 . LEU A1 1 74 ? -20.943 10.346 -22.859 1.0 14.02 ? 74 A 8 -ATOM 1138 N N . VAL A1 1 75 ? -21.531 15.489 -24.68 1.0 43.5 ? 75 A 8 -ATOM 1139 C CA . VAL A1 1 75 ? -22.707 15.691 -25.518 1.0 52.32 ? 75 A 8 -ATOM 1140 C C . VAL A1 1 75 ? -22.857 14.566 -26.535 1.0 61.15 ? 75 A 8 -ATOM 1141 O O . VAL A1 1 75 ? -21.882 14.138 -27.153 1.0 54.31 ? 75 A 8 -ATOM 1142 C CB . VAL A1 1 75 ? -22.639 17.037 -26.264 1.0 24.5 ? 75 A 8 -ATOM 1143 C CG1 . VAL A1 1 75 ? -22.725 18.197 -25.284 1.0 55.3 ? 75 A 8 -ATOM 1144 C CG2 . VAL A1 1 75 ? -21.366 17.123 -27.093 1.0 64.14 ? 75 A 8 -ATOM 1145 H H . VAL A1 1 75 ? -20.64 15.558 -25.082 1.0 70.11 ? 75 A 8 -ATOM 1146 H HA . VAL A1 1 75 ? -23.576 15.703 -24.877 1.0 60.52 ? 75 A 8 -ATOM 1147 H HB . VAL A1 1 75 ? -23.484 17.098 -26.934 1.0 44.41 ? 75 A 8 -ATOM 1148 H HG11 . VAL A1 1 75 ? -21.939 18.105 -24.548 1.0 31.54 ? 75 A 8 -ATOM 1149 H HG12 . VAL A1 1 75 ? -22.614 19.129 -25.817 1.0 61.34 ? 75 A 8 -ATOM 1150 H HG13 . VAL A1 1 75 ? -23.684 18.178 -24.788 1.0 54.52 ? 75 A 8 -ATOM 1151 H HG21 . VAL A1 1 75 ? -21.304 18.095 -27.558 1.0 5.24 ? 75 A 8 -ATOM 1152 H HG22 . VAL A1 1 75 ? -20.51 16.973 -26.453 1.0 61.35 ? 75 A 8 -ATOM 1153 H HG23 . VAL A1 1 75 ? -21.382 16.359 -27.857 1.0 24.43 ? 75 A 8 -ATOM 1154 N N . LEU A1 1 76 ? -24.086 14.09 -26.705 1.0 35.1 ? 76 A 8 -ATOM 1155 C CA . LEU A1 1 76 ? -24.366 13.013 -27.649 1.0 22.53 ? 76 A 8 -ATOM 1156 C C . LEU A1 1 76 ? -25.433 13.434 -28.654 1.0 2.14 ? 76 A 8 -ATOM 1157 O O . LEU A1 1 76 ? -26.432 14.056 -28.291 1.0 21.5 ? 76 A 8 -ATOM 1158 C CB . LEU A1 1 76 ? -24.82 11.758 -26.901 1.0 73.12 ? 76 A 8 -ATOM 1159 C CG . LEU A1 1 76 ? -24.572 11.75 -25.392 1.0 64.45 ? 76 A 8 -ATOM 1160 C CD1 . LEU A1 1 76 ? -25.713 12.441 -24.66 1.0 24.13 ? 76 A 8 -ATOM 1161 C CD2 . LEU A1 1 76 ? -24.399 10.325 -24.888 1.0 22.03 ? 76 A 8 -ATOM 1162 H H . LEU A1 1 76 ? -24.823 14.471 -26.184 1.0 44.32 ? 76 A 8 -ATOM 1163 H HA . LEU A1 1 76 ? -23.453 12.794 -28.182 1.0 53.04 ? 76 A 8 -ATOM 1164 H HB2 . LEU A1 1 76 ? -25.881 11.643 -27.062 1.0 71.31 ? 76 A 8 -ATOM 1165 H HB3 . LEU A1 1 76 ? -24.298 10.913 -27.328 1.0 62.14 ? 76 A 8 -ATOM 1166 H HG . LEU A1 1 76 ? -23.662 12.294 -25.18 1.0 42.11 ? 76 A 8 -ATOM 1167 H HD11 . LEU A1 1 76 ? -26.645 12.224 -25.16 1.0 12.14 ? 76 A 8 -ATOM 1168 H HD12 . LEU A1 1 76 ? -25.545 13.507 -24.658 1.0 23.21 ? 76 A 8 -ATOM 1169 H HD13 . LEU A1 1 76 ? -25.757 12.081 -23.642 1.0 40.2 ? 76 A 8 -ATOM 1170 H HD21 . LEU A1 1 76 ? -23.644 10.305 -24.116 1.0 53.24 ? 76 A 8 -ATOM 1171 H HD22 . LEU A1 1 76 ? -24.093 9.689 -25.706 1.0 72.02 ? 76 A 8 -ATOM 1172 H HD23 . LEU A1 1 76 ? -25.336 9.968 -24.486 1.0 63.4 ? 76 A 8 -ATOM 1173 N N . ARG A1 1 77 ? -25.216 13.089 -29.919 1.0 50.44 ? 77 A 8 -ATOM 1174 C CA . ARG A1 1 77 ? -26.159 13.43 -30.977 1.0 12.4 ? 77 A 8 -ATOM 1175 C C . ARG A1 1 77 ? -26.994 12.216 -31.373 1.0 10.32 ? 77 A 8 -ATOM 1176 O O . ARG A1 1 77 ? -27.248 11.982 -32.555 1.0 12.43 ? 77 A 8 -ATOM 1177 C CB . ARG A1 1 77 ? -25.415 13.971 -32.199 1.0 55.35 ? 77 A 8 -ATOM 1178 C CG . ARG A1 1 77 ? -24.853 15.369 -32.0 1.0 12.22 ? 77 A 8 -ATOM 1179 C CD . ARG A1 1 77 ? -23.388 15.329 -31.594 1.0 60.22 ? 77 A 8 -ATOM 1180 N NE . ARG A1 1 77 ? -22.694 16.569 -31.929 1.0 64.33 ? 77 A 8 -ATOM 1181 C CZ . ARG A1 1 77 ? -21.376 16.719 -31.847 1.0 13.31 ? 77 A 8 -ATOM 1182 N NH1 . ARG A1 1 77 ? -20.615 15.711 -31.444 1.0 63.3 ? 77 A 8 -ATOM 1183 N NH2 . ARG A1 1 77 ? -20.818 17.879 -32.169 1.0 70.54 ? 77 A 8 -ATOM 1184 H H . ARG A1 1 77 ? -24.401 12.594 -30.147 1.0 2.41 ? 77 A 8 -ATOM 1185 H HA . ARG A1 1 77 ? -26.818 14.197 -30.599 1.0 53.23 ? 77 A 8 -ATOM 1186 H HB2 . ARG A1 1 77 ? -24.594 13.307 -32.429 1.0 41.04 ? 77 A 8 -ATOM 1187 H HB3 . ARG A1 1 77 ? -26.094 13.994 -33.038 1.0 23.23 ? 77 A 8 -ATOM 1188 H HG2 . ARG A1 1 77 ? -24.944 15.918 -32.926 1.0 3.21 ? 77 A 8 -ATOM 1189 H HG3 . ARG A1 1 77 ? -25.419 15.867 -31.227 1.0 45.32 ? 77 A 8 -ATOM 1190 H HD2 . ARG A1 1 77 ? -23.328 15.171 -30.528 1.0 24.22 ? 77 A 8 -ATOM 1191 H HD3 . ARG A1 1 77 ? -22.909 14.509 -32.107 1.0 55.12 ? 77 A 8 -ATOM 1192 H HE . ARG A1 1 77 ? -23.237 17.327 -32.229 1.0 41.44 ? 77 A 8 -ATOM 1193 H HH11 . ARG A1 1 77 ? -21.033 14.836 -31.202 1.0 31.24 ? 77 A 8 -ATOM 1194 H HH12 . ARG A1 1 77 ? -19.623 15.826 -31.384 1.0 72.5 ? 77 A 8 -ATOM 1195 H HH21 . ARG A1 1 77 ? -21.388 18.641 -32.474 1.0 71.34 ? 77 A 8 -ATOM 1196 H HH22 . ARG A1 1 77 ? -19.826 17.99 -32.107 1.0 1.44 ? 77 A 8 -ATOM 1197 N N . LEU A1 1 78 ? -27.418 11.445 -30.377 1.0 31.03 ? 78 A 8 -ATOM 1198 C CA . LEU A1 1 78 ? -28.224 10.254 -30.62 1.0 51.32 ? 78 A 8 -ATOM 1199 C C . LEU A1 1 78 ? -29.516 10.611 -31.348 1.0 14.11 ? 78 A 8 -ATOM 1200 O O . LEU A1 1 78 ? -29.887 9.964 -32.328 1.0 12.31 ? 78 A 8 -ATOM 1201 C CB . LEU A1 1 78 ? -28.546 9.553 -29.299 1.0 42.51 ? 78 A 8 -ATOM 1202 C CG . LEU A1 1 78 ? -27.626 8.394 -28.913 1.0 51.45 ? 78 A 8 -ATOM 1203 C CD1 . LEU A1 1 78 ? -26.376 8.913 -28.219 1.0 14.44 ? 78 A 8 -ATOM 1204 C CD2 . LEU A1 1 78 ? -28.362 7.405 -28.02 1.0 25.32 ? 78 A 8 -ATOM 1205 H H . LEU A1 1 78 ? -27.183 11.682 -29.456 1.0 75.31 ? 78 A 8 -ATOM 1206 H HA . LEU A1 1 78 ? -27.647 9.585 -31.242 1.0 64.2 ? 78 A 8 -ATOM 1207 H HB2 . LEU A1 1 78 ? -28.496 10.291 -28.513 1.0 61.14 ? 78 A 8 -ATOM 1208 H HB3 . LEU A1 1 78 ? -29.554 9.169 -29.367 1.0 62.32 ? 78 A 8 -ATOM 1209 H HG . LEU A1 1 78 ? -27.318 7.873 -29.809 1.0 53.42 ? 78 A 8 -ATOM 1210 H HD11 . LEU A1 1 78 ? -26.032 8.182 -27.504 1.0 3.24 ? 78 A 8 -ATOM 1211 H HD12 . LEU A1 1 78 ? -26.605 9.837 -27.708 1.0 74.14 ? 78 A 8 -ATOM 1212 H HD13 . LEU A1 1 78 ? -25.605 9.091 -28.954 1.0 11.41 ? 78 A 8 -ATOM 1213 H HD21 . LEU A1 1 78 ? -27.689 7.037 -27.26 1.0 65.32 ? 78 A 8 -ATOM 1214 H HD22 . LEU A1 1 78 ? -28.717 6.578 -28.617 1.0 65.43 ? 78 A 8 -ATOM 1215 H HD23 . LEU A1 1 78 ? -29.201 7.898 -27.552 1.0 34.04 ? 78 A 8 -ATOM 1216 N N . ARG A1 1 79 ? -30.196 11.645 -30.864 1.0 44.5 ? 79 A 8 -ATOM 1217 C CA . ARG A1 1 79 ? -31.446 12.088 -31.469 1.0 54.44 ? 79 A 8 -ATOM 1218 C C . ARG A1 1 79 ? -32.553 11.062 -31.245 1.0 43.43 ? 79 A 8 -ATOM 1219 O O . ARG A1 1 79 ? -33.433 11.258 -30.408 1.0 24.23 ? 79 A 8 -ATOM 1220 C CB . ARG A1 1 79 ? -31.255 12.328 -32.968 1.0 53.1 ? 79 A 8 -ATOM 1221 C CG . ARG A1 1 79 ? -31.417 13.783 -33.378 1.0 62.42 ? 79 A 8 -ATOM 1222 C CD . ARG A1 1 79 ? -32.87 14.119 -33.676 1.0 15.2 ? 79 A 8 -ATOM 1223 N NE . ARG A1 1 79 ? -33.02 15.466 -34.219 1.0 22.21 ? 79 A 8 -ATOM 1224 C CZ . ARG A1 1 79 ? -34.084 15.868 -34.904 1.0 43.33 ? 79 A 8 -ATOM 1225 N NH1 . ARG A1 1 79 ? -35.087 15.03 -35.128 1.0 51.34 ? 79 A 8 -ATOM 1226 N NH2 . ARG A1 1 79 ? -34.147 17.11 -35.366 1.0 24.34 ? 79 A 8 -ATOM 1227 H H . ARG A1 1 79 ? -29.849 12.121 -30.081 1.0 30.43 ? 79 A 8 -ATOM 1228 H HA . ARG A1 1 79 ? -31.731 13.017 -30.999 1.0 75.12 ? 79 A 8 -ATOM 1229 H HB2 . ARG A1 1 79 ? -30.262 12.007 -33.249 1.0 72.51 ? 79 A 8 -ATOM 1230 H HB3 . ARG A1 1 79 ? -31.981 11.741 -33.51 1.0 62.3 ? 79 A 8 -ATOM 1231 H HG2 . ARG A1 1 79 ? -31.071 14.414 -32.574 1.0 34.21 ? 79 A 8 -ATOM 1232 H HG3 . ARG A1 1 79 ? -30.825 13.966 -34.263 1.0 51.44 ? 79 A 8 -ATOM 1233 H HD2 . ARG A1 1 79 ? -33.25 13.407 -34.393 1.0 21.42 ? 79 A 8 -ATOM 1234 H HD3 . ARG A1 1 79 ? -33.437 14.044 -32.76 1.0 24.22 ? 79 A 8 -ATOM 1235 H HE . ARG A1 1 79 ? -32.29 16.101 -34.065 1.0 63.2 ? 79 A 8 -ATOM 1236 H HH11 . ARG A1 1 79 ? -35.043 14.094 -34.78 1.0 0.03 ? 79 A 8 -ATOM 1237 H HH12 . ARG A1 1 79 ? -35.889 15.336 -35.643 1.0 54.33 ? 79 A 8 -ATOM 1238 H HH21 . ARG A1 1 79 ? -33.393 17.745 -35.199 1.0 72.3 ? 79 A 8 -ATOM 1239 H HH22 . ARG A1 1 79 ? -34.949 17.412 -35.882 1.0 2.44 ? 79 A 8 -ATOM 1240 N N . GLY A1 1 80 ? -32.5 9.968 -31.998 1.0 11.03 ? 80 A 8 -ATOM 1241 C CA . GLY A1 1 80 ? -33.504 8.928 -31.866 1.0 3.12 ? 80 A 8 -ATOM 1242 C C . GLY A1 1 80 ? -33.158 7.684 -32.66 1.0 52.34 ? 80 A 8 -ATOM 1243 O O . GLY A1 1 80 ? -33.717 7.446 -33.73 1.0 43.44 ? 80 A 8 -ATOM 1244 H H . GLY A1 1 80 ? -31.775 9.866 -32.649 1.0 0.24 ? 80 A 8 -ATOM 1245 H HA2 . GLY A1 1 80 ? -33.597 8.663 -30.824 1.0 71.24 ? 80 A 8 -ATOM 1246 H HA3 . GLY A1 1 80 ? -34.451 9.312 -32.216 1.0 43.14 ? 80 A 8 -ATOM 1247 N N . GLY A1 1 81 ? -32.23 6.889 -32.136 1.0 43.34 ? 81 A 8 -ATOM 1248 C CA . GLY A1 1 81 ? -31.824 5.673 -32.817 1.0 20.2 ? 81 A 8 -ATOM 1249 C C . GLY A1 1 81 ? -30.48 5.814 -33.504 1.0 63.23 ? 81 A 8 -ATOM 1250 O O . GLY A1 1 81 ? -29.743 6.767 -33.251 1.0 30.24 ? 81 A 8 -ATOM 1251 H H . GLY A1 1 81 ? -31.818 7.129 -31.28 1.0 11.33 ? 81 A 8 -ATOM 1252 H HA2 . GLY A1 1 81 ? -31.766 4.872 -32.096 1.0 30.51 ? 81 A 8 -ATOM 1253 H HA3 . GLY A1 1 81 ? -32.569 5.424 -33.558 1.0 55.14 ? 81 A 8 -ATOM 1254 N N . VAL A1 1 82 ? -30.159 4.863 -34.375 1.0 30.52 ? 82 A 8 -ATOM 1255 C CA . VAL A1 1 82 ? -28.894 4.885 -35.099 1.0 4.45 ? 82 A 8 -ATOM 1256 C C . VAL A1 1 82 ? -29.119 4.746 -36.601 1.0 63.52 ? 82 A 8 -ATOM 1257 O O . VAL A1 1 82 ? -28.817 5.657 -37.371 1.0 12.52 ? 82 A 8 -ATOM 1258 C CB . VAL A1 1 82 ? -27.956 3.759 -34.626 1.0 53.54 ? 82 A 8 -ATOM 1259 C CG1 . VAL A1 1 82 ? -28.554 2.397 -34.943 1.0 33.31 ? 82 A 8 -ATOM 1260 C CG2 . VAL A1 1 82 ? -26.582 3.909 -35.26 1.0 1.13 ? 82 A 8 -ATOM 1261 H H . VAL A1 1 82 ? -30.789 4.129 -34.534 1.0 42.11 ? 82 A 8 -ATOM 1262 H HA . VAL A1 1 82 ? -28.413 5.832 -34.903 1.0 65.12 ? 82 A 8 -ATOM 1263 H HB . VAL A1 1 82 ? -27.845 3.837 -33.554 1.0 3.02 ? 82 A 8 -ATOM 1264 H HG11 . VAL A1 1 82 ? -28.322 2.132 -35.965 1.0 71.54 ? 82 A 8 -ATOM 1265 H HG12 . VAL A1 1 82 ? -28.139 1.656 -34.275 1.0 43.52 ? 82 A 8 -ATOM 1266 H HG13 . VAL A1 1 82 ? -29.626 2.436 -34.817 1.0 60.31 ? 82 A 8 -ATOM 1267 H HG21 . VAL A1 1 82 ? -26.663 4.499 -36.16 1.0 51.1 ? 82 A 8 -ATOM 1268 H HG22 . VAL A1 1 82 ? -25.917 4.4 -34.565 1.0 43.42 ? 82 A 8 -ATOM 1269 H HG23 . VAL A1 1 82 ? -26.189 2.932 -35.505 1.0 61.21 ? 82 A 8 -ATOM 1 N N . GLY A1 1 1 ? 1.791 -0.636 -0.883 1.0 13.0 ? 1 A 9 -ATOM 2 C CA . GLY A1 1 1 ? 0.525 0.057 -1.032 1.0 45.03 ? 1 A 9 -ATOM 3 C C . GLY A1 1 1 ? 0.514 0.995 -2.223 1.0 65.21 ? 1 A 9 -ATOM 4 O O . GLY A1 1 1 ? 0.457 2.216 -2.078 1.0 33.34 ? 1 A 9 -ATOM 5 H H1 . GLY A1 1 1 ? 2.271 -0.598 -0.029 1.0 52.4 ? 1 A 9 -ATOM 6 H HA2 . GLY A1 1 1 ? -0.26 -0.674 -1.155 1.0 14.15 ? 1 A 9 -ATOM 7 H HA3 . GLY A1 1 1 ? 0.333 0.629 -0.136 1.0 34.23 ? 1 A 9 -ATOM 8 N N . PRO A1 1 2 ? 0.571 0.42 -3.434 1.0 55.32 ? 2 A 9 -ATOM 9 C CA . PRO A1 1 2 ? 0.57 1.195 -4.678 1.0 21.43 ? 2 A 9 -ATOM 10 C C . PRO A1 1 2 ? -0.777 1.858 -4.947 1.0 41.45 ? 2 A 9 -ATOM 11 O O . PRO A1 1 2 ? -1.824 1.343 -4.552 1.0 62.42 ? 2 A 9 -ATOM 12 C CB . PRO A1 1 2 ? 0.873 0.145 -5.75 1.0 51.45 ? 2 A 9 -ATOM 13 C CG . PRO A1 1 2 ? 0.406 -1.142 -5.163 1.0 43.11 ? 2 A 9 -ATOM 14 C CD . PRO A1 1 2 ? 0.64 -1.03 -3.681 1.0 64.14 ? 2 A 9 -ATOM 15 H HA . PRO A1 1 2 ? 1.345 1.947 -4.678 1.0 31.54 ? 2 A 9 -ATOM 16 H HB2 . PRO A1 1 2 ? 0.334 0.386 -6.656 1.0 42.4 ? 2 A 9 -ATOM 17 H HB3 . PRO A1 1 2 ? 1.934 0.126 -5.95 1.0 62.54 ? 2 A 9 -ATOM 18 H HG2 . PRO A1 1 2 ? -0.645 -1.279 -5.367 1.0 3.22 ? 2 A 9 -ATOM 19 H HG3 . PRO A1 1 2 ? 0.98 -1.961 -5.571 1.0 51.14 ? 2 A 9 -ATOM 20 H HD2 . PRO A1 1 2 ? -0.133 -1.551 -3.137 1.0 11.0 ? 2 A 9 -ATOM 21 H HD3 . PRO A1 1 2 ? 1.614 -1.418 -3.423 1.0 24.12 ? 2 A 9 -ATOM 22 N N . LEU A1 1 3 ? -0.744 3.001 -5.622 1.0 34.12 ? 3 A 9 -ATOM 23 C CA . LEU A1 1 3 ? -1.964 3.734 -5.945 1.0 54.03 ? 3 A 9 -ATOM 24 C C . LEU A1 1 3 ? -1.856 4.392 -7.317 1.0 63.21 ? 3 A 9 -ATOM 25 O O . LEU A1 1 3 ? -0.824 4.304 -7.98 1.0 11.24 ? 3 A 9 -ATOM 26 C CB . LEU A1 1 3 ? -2.242 4.795 -4.879 1.0 60.12 ? 3 A 9 -ATOM 27 C CG . LEU A1 1 3 ? -1.111 5.789 -4.61 1.0 64.13 ? 3 A 9 -ATOM 28 C CD1 . LEU A1 1 3 ? -1.589 7.215 -4.834 1.0 62.25 ? 3 A 9 -ATOM 29 C CD2 . LEU A1 1 3 ? -0.578 5.619 -3.195 1.0 0.12 ? 3 A 9 -ATOM 30 H H . LEU A1 1 3 ? 0.119 3.362 -5.911 1.0 52.35 ? 3 A 9 -ATOM 31 H HA . LEU A1 1 3 ? -2.78 3.028 -5.961 1.0 43.13 ? 3 A 9 -ATOM 32 H HB2 . LEU A1 1 3 ? -3.109 5.358 -5.19 1.0 74.24 ? 3 A 9 -ATOM 33 H HB3 . LEU A1 1 3 ? -2.461 4.283 -3.953 1.0 72.41 ? 3 A 9 -ATOM 34 H HG . LEU A1 1 3 ? -0.3 5.597 -5.299 1.0 43.5 ? 3 A 9 -ATOM 35 H HD11 . LEU A1 1 3 ? -0.746 7.888 -4.794 1.0 50.45 ? 3 A 9 -ATOM 36 H HD12 . LEU A1 1 3 ? -2.299 7.482 -4.065 1.0 4.34 ? 3 A 9 -ATOM 37 H HD13 . LEU A1 1 3 ? -2.064 7.288 -5.801 1.0 54.42 ? 3 A 9 -ATOM 38 H HD21 . LEU A1 1 3 ? 0.022 6.478 -2.931 1.0 23.33 ? 3 A 9 -ATOM 39 H HD22 . LEU A1 1 3 ? 0.028 4.727 -3.143 1.0 1.01 ? 3 A 9 -ATOM 40 H HD23 . LEU A1 1 3 ? -1.406 5.532 -2.506 1.0 75.24 ? 3 A 9 -ATOM 41 N N . GLY A1 1 4 ? -2.93 5.054 -7.736 1.0 4.21 ? 4 A 9 -ATOM 42 C CA . GLY A1 1 4 ? -2.936 5.719 -9.026 1.0 43.34 ? 4 A 9 -ATOM 43 C C . GLY A1 1 4 ? -4.322 5.792 -9.636 1.0 32.24 ? 4 A 9 -ATOM 44 O O . GLY A1 1 4 ? -4.716 6.825 -10.176 1.0 73.31 ? 4 A 9 -ATOM 45 H H . GLY A1 1 4 ? -3.726 5.091 -7.165 1.0 2.13 ? 4 A 9 -ATOM 46 H HA2 . GLY A1 1 4 ? -2.555 6.722 -8.904 1.0 53.5 ? 4 A 9 -ATOM 47 H HA3 . GLY A1 1 4 ? -2.287 5.178 -9.7 1.0 61.41 ? 4 A 9 -ATOM 48 N N . SER A1 1 5 ? -5.062 4.691 -9.552 1.0 14.33 ? 5 A 9 -ATOM 49 C CA . SER A1 1 5 ? -6.41 4.632 -10.104 1.0 12.42 ? 5 A 9 -ATOM 50 C C . SER A1 1 5 ? -7.245 5.816 -9.627 1.0 43.22 ? 5 A 9 -ATOM 51 O O . SER A1 1 5 ? -6.952 6.42 -8.595 1.0 33.52 ? 5 A 9 -ATOM 52 C CB . SER A1 1 5 ? -7.09 3.32 -9.707 1.0 72.02 ? 5 A 9 -ATOM 53 O OG . SER A1 1 5 ? -6.341 2.202 -10.151 1.0 21.35 ? 5 A 9 -ATOM 54 H H . SER A1 1 5 ? -4.691 3.898 -9.109 1.0 31.12 ? 5 A 9 -ATOM 55 H HA . SER A1 1 5 ? -6.329 4.674 -11.18 1.0 12.32 ? 5 A 9 -ATOM 56 H HB2 . SER A1 1 5 ? -7.178 3.275 -8.632 1.0 41.01 ? 5 A 9 -ATOM 57 H HB3 . SER A1 1 5 ? -8.074 3.279 -10.151 1.0 74.13 ? 5 A 9 -ATOM 58 H HG . SER A1 1 5 ? -6.341 1.526 -9.47 1.0 33.45 ? 5 A 9 -ATOM 59 N N . MET A1 1 6 ? -8.286 6.142 -10.386 1.0 14.01 ? 6 A 9 -ATOM 60 C CA . MET A1 1 6 ? -9.165 7.253 -10.04 1.0 54.33 ? 6 A 9 -ATOM 61 C C . MET A1 1 6 ? -10.487 7.156 -10.796 1.0 31.44 ? 6 A 9 -ATOM 62 O O . MET A1 1 6 ? -10.782 6.136 -11.418 1.0 1.11 ? 6 A 9 -ATOM 63 C CB . MET A1 1 6 ? -8.483 8.587 -10.352 1.0 70.21 ? 6 A 9 -ATOM 64 C CG . MET A1 1 6 ? -8.089 8.741 -11.812 1.0 25.05 ? 6 A 9 -ATOM 65 S SD . MET A1 1 6 ? -6.463 9.493 -12.016 1.0 3.44 ? 6 A 9 -ATOM 66 C CE . MET A1 1 6 ? -5.55 8.133 -12.741 1.0 13.21 ? 6 A 9 -ATOM 67 H H . MET A1 1 6 ? -8.469 5.623 -11.197 1.0 2.32 ? 6 A 9 -ATOM 68 H HA . MET A1 1 6 ? -9.365 7.2 -8.981 1.0 5.22 ? 6 A 9 -ATOM 69 H HB2 . MET A1 1 6 ? -9.157 9.39 -10.096 1.0 62.43 ? 6 A 9 -ATOM 70 H HB3 . MET A1 1 6 ? -7.591 8.671 -9.75 1.0 63.34 ? 6 A 9 -ATOM 71 H HG2 . MET A1 1 6 ? -8.079 7.765 -12.274 1.0 33.13 ? 6 A 9 -ATOM 72 H HG3 . MET A1 1 6 ? -8.822 9.363 -12.304 1.0 12.41 ? 6 A 9 -ATOM 73 H HE1 . MET A1 1 6 ? -4.648 7.961 -12.173 1.0 12.23 ? 6 A 9 -ATOM 74 H HE2 . MET A1 1 6 ? -6.16 7.241 -12.726 1.0 52.54 ? 6 A 9 -ATOM 75 H HE3 . MET A1 1 6 ? -5.293 8.376 -13.761 1.0 2.41 ? 6 A 9 -ATOM 76 N N . GLN A1 1 7 ? -11.278 8.222 -10.735 1.0 13.12 ? 7 A 9 -ATOM 77 C CA . GLN A1 1 7 ? -12.568 8.255 -11.413 1.0 13.2 ? 7 A 9 -ATOM 78 C C . GLN A1 1 7 ? -12.823 9.625 -12.032 1.0 42.42 ? 7 A 9 -ATOM 79 O O . GLN A1 1 7 ? -12.23 10.623 -11.62 1.0 71.33 ? 7 A 9 -ATOM 80 C CB . GLN A1 1 7 ? -13.691 7.907 -10.434 1.0 42.01 ? 7 A 9 -ATOM 81 C CG . GLN A1 1 7 ? -13.365 6.732 -9.527 1.0 12.34 ? 7 A 9 -ATOM 82 C CD . GLN A1 1 7 ? -12.835 7.168 -8.175 1.0 44.31 ? 7 A 9 -ATOM 83 O OE1 . GLN A1 1 7 ? -12.662 8.359 -7.918 1.0 33.44 ? 7 A 9 -ATOM 84 N NE2 . GLN A1 1 7 ? -12.573 6.202 -7.302 1.0 73.32 ? 7 A 9 -ATOM 85 H H . GLN A1 1 7 ? -10.987 9.005 -10.223 1.0 71.21 ? 7 A 9 -ATOM 86 H HA . GLN A1 1 7 ? -12.548 7.517 -12.2 1.0 62.03 ? 7 A 9 -ATOM 87 H HB2 . GLN A1 1 7 ? -13.892 8.768 -9.814 1.0 13.25 ? 7 A 9 -ATOM 88 H HB3 . GLN A1 1 7 ? -14.58 7.664 -10.997 1.0 41.42 ? 7 A 9 -ATOM 89 H HG2 . GLN A1 1 7 ? -14.263 6.152 -9.374 1.0 43.33 ? 7 A 9 -ATOM 90 H HG3 . GLN A1 1 7 ? -12.619 6.118 -10.01 1.0 33.21 ? 7 A 9 -ATOM 91 H HE21 . GLN A1 1 7 ? -12.734 5.274 -7.577 1.0 52.01 ? 7 A 9 -ATOM 92 H HE22 . GLN A1 1 7 ? -12.229 6.455 -6.422 1.0 55.43 ? 7 A 9 -ATOM 93 N N . ILE A1 1 8 ? -13.708 9.666 -13.022 1.0 12.12 ? 8 A 9 -ATOM 94 C CA . ILE A1 1 8 ? -14.042 10.915 -13.697 1.0 64.2 ? 8 A 9 -ATOM 95 C C . ILE A1 1 8 ? -15.552 11.119 -13.761 1.0 0.33 ? 8 A 9 -ATOM 96 O O . ILE A1 1 8 ? -16.324 10.177 -13.581 1.0 11.35 ? 8 A 9 -ATOM 97 C CB . ILE A1 1 8 ? -13.469 10.953 -15.126 1.0 65.34 ? 8 A 9 -ATOM 98 C CG1 . ILE A1 1 8 ? -12.683 9.673 -15.418 1.0 72.33 ? 8 A 9 -ATOM 99 C CG2 . ILE A1 1 8 ? -12.585 12.177 -15.31 1.0 55.24 ? 8 A 9 -ATOM 100 C CD1 . ILE A1 1 8 ? -12.249 9.546 -16.862 1.0 11.02 ? 8 A 9 -ATOM 101 H H . ILE A1 1 8 ? -14.148 8.838 -13.305 1.0 43.45 ? 8 A 9 -ATOM 102 H HA . ILE A1 1 8 ? -13.603 11.725 -13.133 1.0 41.41 ? 8 A 9 -ATOM 103 H HB . ILE A1 1 8 ? -14.293 11.027 -15.819 1.0 13.24 ? 8 A 9 -ATOM 104 H HG12 . ILE A1 1 8 ? -11.798 9.653 -14.803 1.0 4.11 ? 8 A 9 -ATOM 105 H HG13 . ILE A1 1 8 ? -13.301 8.818 -15.181 1.0 33.41 ? 8 A 9 -ATOM 106 H HG21 . ILE A1 1 8 ? -13.202 13.04 -15.51 1.0 12.11 ? 8 A 9 -ATOM 107 H HG22 . ILE A1 1 8 ? -12.013 12.346 -14.41 1.0 14.43 ? 8 A 9 -ATOM 108 H HG23 . ILE A1 1 8 ? -11.912 12.015 -16.139 1.0 53.13 ? 8 A 9 -ATOM 109 H HD11 . ILE A1 1 8 ? -11.186 9.355 -16.902 1.0 4.51 ? 8 A 9 -ATOM 110 H HD12 . ILE A1 1 8 ? -12.779 8.728 -17.327 1.0 22.53 ? 8 A 9 -ATOM 111 H HD13 . ILE A1 1 8 ? -12.469 10.464 -17.386 1.0 32.23 ? 8 A 9 -ATOM 112 N N . PHE A1 1 9 ? -15.966 12.354 -14.021 1.0 44.42 ? 9 A 9 -ATOM 113 C CA . PHE A1 1 9 ? -17.384 12.683 -14.11 1.0 45.42 ? 9 A 9 -ATOM 114 C C . PHE A1 1 9 ? -17.747 13.145 -15.517 1.0 62.05 ? 9 A 9 -ATOM 115 O O . PHE A1 1 9 ? -17.135 14.066 -16.058 1.0 33.13 ? 9 A 9 -ATOM 116 C CB . PHE A1 1 9 ? -17.742 13.77 -13.095 1.0 42.3 ? 9 A 9 -ATOM 117 C CG . PHE A1 1 9 ? -18.493 13.253 -11.901 1.0 44.44 ? 9 A 9 -ATOM 118 C CD1 . PHE A1 1 9 ? -19.757 12.705 -12.046 1.0 24.21 ? 9 A 9 -ATOM 119 C CD2 . PHE A1 1 9 ? -17.934 13.313 -10.635 1.0 24.11 ? 9 A 9 -ATOM 120 C CE1 . PHE A1 1 9 ? -20.451 12.229 -10.949 1.0 54.33 ? 9 A 9 -ATOM 121 C CE2 . PHE A1 1 9 ? -18.622 12.838 -9.534 1.0 62.43 ? 9 A 9 -ATOM 122 C CZ . PHE A1 1 9 ? -19.882 12.294 -9.692 1.0 72.21 ? 9 A 9 -ATOM 123 H H . PHE A1 1 9 ? -15.301 13.063 -14.155 1.0 15.35 ? 9 A 9 -ATOM 124 H HA . PHE A1 1 9 ? -17.945 11.79 -13.881 1.0 72.15 ? 9 A 9 -ATOM 125 H HB2 . PHE A1 1 9 ? -16.834 14.234 -12.739 1.0 13.22 ? 9 A 9 -ATOM 126 H HB3 . PHE A1 1 9 ? -18.356 14.515 -13.578 1.0 20.44 ? 9 A 9 -ATOM 127 H HD1 . PHE A1 1 9 ? -20.203 12.652 -13.029 1.0 63.23 ? 9 A 9 -ATOM 128 H HD2 . PHE A1 1 9 ? -16.948 13.738 -10.51 1.0 43.5 ? 9 A 9 -ATOM 129 H HE1 . PHE A1 1 9 ? -21.435 11.804 -11.075 1.0 53.21 ? 9 A 9 -ATOM 130 H HE2 . PHE A1 1 9 ? -18.175 12.891 -8.553 1.0 61.25 ? 9 A 9 -ATOM 131 H HZ . PHE A1 1 9 ? -20.422 11.923 -8.834 1.0 11.33 ? 9 A 9 -ATOM 132 N N . VAL A1 1 10 ? -18.749 12.499 -16.106 1.0 35.51 ? 10 A 9 -ATOM 133 C CA . VAL A1 1 10 ? -19.196 12.843 -17.45 1.0 51.35 ? 10 A 9 -ATOM 134 C C . VAL A1 1 10 ? -20.636 13.343 -17.44 1.0 20.3 ? 10 A 9 -ATOM 135 O O . VAL A1 1 10 ? -21.52 12.713 -16.858 1.0 33.54 ? 10 A 9 -ATOM 136 C CB . VAL A1 1 10 ? -19.089 11.638 -18.403 1.0 1.24 ? 10 A 9 -ATOM 137 C CG1 . VAL A1 1 10 ? -19.041 12.103 -19.85 1.0 43.55 ? 10 A 9 -ATOM 138 C CG2 . VAL A1 1 10 ? -17.868 10.797 -18.063 1.0 70.41 ? 10 A 9 -ATOM 139 H H . VAL A1 1 10 ? -19.199 11.774 -15.624 1.0 13.11 ? 10 A 9 -ATOM 140 H HA . VAL A1 1 10 ? -18.555 13.629 -17.824 1.0 52.2 ? 10 A 9 -ATOM 141 H HB . VAL A1 1 10 ? -19.969 11.025 -18.275 1.0 21.21 ? 10 A 9 -ATOM 142 H HG11 . VAL A1 1 10 ? -18.478 13.023 -19.913 1.0 75.22 ? 10 A 9 -ATOM 143 H HG12 . VAL A1 1 10 ? -18.565 11.346 -20.457 1.0 54.41 ? 10 A 9 -ATOM 144 H HG13 . VAL A1 1 10 ? -20.046 12.272 -20.208 1.0 61.31 ? 10 A 9 -ATOM 145 H HG21 . VAL A1 1 10 ? -17.026 11.445 -17.872 1.0 13.24 ? 10 A 9 -ATOM 146 H HG22 . VAL A1 1 10 ? -18.074 10.203 -17.185 1.0 62.44 ? 10 A 9 -ATOM 147 H HG23 . VAL A1 1 10 ? -17.638 10.144 -18.893 1.0 2.35 ? 10 A 9 -ATOM 148 N N . LYS A1 1 11 ? -20.867 14.48 -18.087 1.0 23.3 ? 11 A 9 -ATOM 149 C CA . LYS A1 1 11 ? -22.2 15.066 -18.155 1.0 10.31 ? 11 A 9 -ATOM 150 C C . LYS A1 1 11 ? -22.787 14.921 -19.555 1.0 22.12 ? 11 A 9 -ATOM 151 O O . LYS A1 1 11 ? -22.294 15.52 -20.512 1.0 63.21 ? 11 A 9 -ATOM 152 C CB . LYS A1 1 11 ? -22.151 16.544 -17.761 1.0 34.41 ? 11 A 9 -ATOM 153 C CG . LYS A1 1 11 ? -23.425 17.304 -18.09 1.0 63.11 ? 11 A 9 -ATOM 154 C CD . LYS A1 1 11 ? -23.327 18.762 -17.675 1.0 3.15 ? 11 A 9 -ATOM 155 C CE . LYS A1 1 11 ? -22.891 19.643 -18.836 1.0 2.52 ? 11 A 9 -ATOM 156 N NZ . LYS A1 1 11 ? -22.898 21.087 -18.469 1.0 51.12 ? 11 A 9 -ATOM 157 H H . LYS A1 1 11 ? -20.121 14.937 -18.531 1.0 4.15 ? 11 A 9 -ATOM 158 H HA . LYS A1 1 11 ? -22.831 14.537 -17.456 1.0 44.21 ? 11 A 9 -ATOM 159 H HB2 . LYS A1 1 11 ? -21.979 16.615 -16.697 1.0 75.01 ? 11 A 9 -ATOM 160 H HB3 . LYS A1 1 11 ? -21.331 17.016 -18.282 1.0 15.43 ? 11 A 9 -ATOM 161 H HG2 . LYS A1 1 11 ? -23.598 17.254 -19.154 1.0 73.24 ? 11 A 9 -ATOM 162 H HG3 . LYS A1 1 11 ? -24.252 16.845 -17.567 1.0 30.03 ? 11 A 9 -ATOM 163 H HD2 . LYS A1 1 11 ? -24.294 19.095 -17.329 1.0 63.51 ? 11 A 9 -ATOM 164 H HD3 . LYS A1 1 11 ? -22.606 18.852 -16.875 1.0 61.22 ? 11 A 9 -ATOM 165 H HE2 . LYS A1 1 11 ? -21.892 19.36 -19.13 1.0 70.24 ? 11 A 9 -ATOM 166 H HE3 . LYS A1 1 11 ? -23.567 19.487 -19.663 1.0 3.13 ? 11 A 9 -ATOM 167 H HZ1 . LYS A1 1 11 ? -22.82 21.194 -17.438 1.0 1.34 ? 11 A 9 -ATOM 168 H HZ2 . LYS A1 1 11 ? -23.783 21.531 -18.788 1.0 61.44 ? 11 A 9 -ATOM 169 H HZ3 . LYS A1 1 11 ? -22.097 21.574 -18.92 1.0 12.11 ? 11 A 9 -ATOM 170 N N . THR A1 1 12 ? -23.845 14.124 -19.669 1.0 60.33 ? 12 A 9 -ATOM 171 C CA . THR A1 1 12 ? -24.5 13.901 -20.952 1.0 63.11 ? 12 A 9 -ATOM 172 C C . THR A1 1 12 ? -25.306 15.123 -21.377 1.0 63.2 ? 12 A 9 -ATOM 173 O O . THR A1 1 12 ? -25.643 15.975 -20.554 1.0 23.14 ? 12 A 9 -ATOM 174 C CB . THR A1 1 12 ? -25.433 12.677 -20.901 1.0 13.53 ? 12 A 9 -ATOM 175 O OG1 . THR A1 1 12 ? -26.579 12.967 -20.094 1.0 44.22 ? 12 A 9 -ATOM 176 C CG2 . THR A1 1 12 ? -24.705 11.464 -20.34 1.0 44.25 ? 12 A 9 -ATOM 177 H H . THR A1 1 12 ? -24.192 13.674 -18.87 1.0 50.31 ? 12 A 9 -ATOM 178 H HA . THR A1 1 12 ? -23.733 13.713 -21.689 1.0 15.31 ? 12 A 9 -ATOM 179 H HB . THR A1 1 12 ? -25.758 12.449 -21.907 1.0 3.11 ? 12 A 9 -ATOM 180 H HG1 . THR A1 1 12 ? -27.314 12.416 -20.371 1.0 54.01 ? 12 A 9 -ATOM 181 H HG21 . THR A1 1 12 ? -24.326 11.696 -19.357 1.0 54.24 ? 12 A 9 -ATOM 182 H HG22 . THR A1 1 12 ? -23.883 11.205 -20.991 1.0 51.32 ? 12 A 9 -ATOM 183 H HG23 . THR A1 1 12 ? -25.39 10.632 -20.275 1.0 74.05 ? 12 A 9 -ATOM 184 N N . LEU A1 1 13 ? -25.613 15.203 -22.667 1.0 74.21 ? 13 A 9 -ATOM 185 C CA . LEU A1 1 13 ? -26.381 16.322 -23.203 1.0 74.52 ? 13 A 9 -ATOM 186 C C . LEU A1 1 13 ? -27.742 16.423 -22.522 1.0 25.21 ? 13 A 9 -ATOM 187 O O . LEU A1 1 13 ? -28.393 17.468 -22.561 1.0 11.35 ? 13 A 9 -ATOM 188 C CB . LEU A1 1 13 ? -26.564 16.165 -24.713 1.0 31.51 ? 13 A 9 -ATOM 189 C CG . LEU A1 1 13 ? -27.106 17.387 -25.455 1.0 30.32 ? 13 A 9 -ATOM 190 C CD1 . LEU A1 1 13 ? -25.996 18.397 -25.702 1.0 44.31 ? 13 A 9 -ATOM 191 C CD2 . LEU A1 1 13 ? -27.753 16.97 -26.768 1.0 64.01 ? 13 A 9 -ATOM 192 H H . LEU A1 1 13 ? -25.316 14.495 -23.275 1.0 42.02 ? 13 A 9 -ATOM 193 H HA . LEU A1 1 13 ? -25.827 17.228 -23.008 1.0 34.1 ? 13 A 9 -ATOM 194 H HB2 . LEU A1 1 13 ? -25.603 15.919 -25.138 1.0 62.11 ? 13 A 9 -ATOM 195 H HB3 . LEU A1 1 13 ? -27.248 15.345 -24.879 1.0 43.21 ? 13 A 9 -ATOM 196 H HG . LEU A1 1 13 ? -27.861 17.864 -24.845 1.0 45.4 ? 13 A 9 -ATOM 197 H HD11 . LEU A1 1 13 ? -25.894 18.567 -26.763 1.0 62.23 ? 13 A 9 -ATOM 198 H HD12 . LEU A1 1 13 ? -25.066 18.014 -25.308 1.0 23.44 ? 13 A 9 -ATOM 199 H HD13 . LEU A1 1 13 ? -26.239 19.327 -25.209 1.0 25.55 ? 13 A 9 -ATOM 200 H HD21 . LEU A1 1 13 ? -28.784 16.703 -26.592 1.0 62.14 ? 13 A 9 -ATOM 201 H HD22 . LEU A1 1 13 ? -27.224 16.121 -27.175 1.0 41.34 ? 13 A 9 -ATOM 202 H HD23 . LEU A1 1 13 ? -27.708 17.792 -27.468 1.0 51.42 ? 13 A 9 -ATOM 203 N N . THR A1 1 14 ? -28.168 15.33 -21.896 1.0 31.41 ? 14 A 9 -ATOM 204 C CA . THR A1 1 14 ? -29.451 15.295 -21.206 1.0 30.33 ? 14 A 9 -ATOM 205 C C . THR A1 1 14 ? -29.312 15.768 -19.763 1.0 22.13 ? 14 A 9 -ATOM 206 O O . THR A1 1 14 ? -30.262 15.702 -18.984 1.0 5.31 ? 14 A 9 -ATOM 207 C CB . THR A1 1 14 ? -30.055 13.878 -21.214 1.0 34.54 ? 14 A 9 -ATOM 208 O OG1 . THR A1 1 14 ? -29.013 12.901 -21.111 1.0 3.22 ? 14 A 9 -ATOM 209 C CG2 . THR A1 1 14 ? -30.857 13.639 -22.484 1.0 34.11 ? 14 A 9 -ATOM 210 H H . THR A1 1 14 ? -27.604 14.528 -21.901 1.0 2.31 ? 14 A 9 -ATOM 211 H HA . THR A1 1 14 ? -30.128 15.955 -21.728 1.0 25.44 ? 14 A 9 -ATOM 212 H HB . THR A1 1 14 ? -30.715 13.78 -20.364 1.0 55.24 ? 14 A 9 -ATOM 213 H HG1 . THR A1 1 14 ? -28.678 12.696 -21.987 1.0 24.42 ? 14 A 9 -ATOM 214 H HG21 . THR A1 1 14 ? -31.545 12.822 -22.326 1.0 1.02 ? 14 A 9 -ATOM 215 H HG22 . THR A1 1 14 ? -30.186 13.392 -23.293 1.0 12.23 ? 14 A 9 -ATOM 216 H HG23 . THR A1 1 14 ? -31.41 14.532 -22.733 1.0 12.42 ? 14 A 9 -ATOM 217 N N . GLY A1 1 15 ? -28.121 16.245 -19.414 1.0 61.2 ? 15 A 9 -ATOM 218 C CA . GLY A1 1 15 ? -27.881 16.723 -18.065 1.0 25.44 ? 15 A 9 -ATOM 219 C C . GLY A1 1 15 ? -27.848 15.598 -17.049 1.0 2.34 ? 15 A 9 -ATOM 220 O O . GLY A1 1 15 ? -28.591 15.616 -16.067 1.0 24.03 ? 15 A 9 -ATOM 221 H H . GLY A1 1 15 ? -27.4 16.273 -20.077 1.0 73.22 ? 15 A 9 -ATOM 222 H HA2 . GLY A1 1 15 ? -26.934 17.242 -18.042 1.0 10.15 ? 15 A 9 -ATOM 223 H HA3 . GLY A1 1 15 ? -28.666 17.413 -17.794 1.0 23.53 ? 15 A 9 -ATOM 224 N N . LYS A1 1 16 ? -26.985 14.616 -17.284 1.0 11.21 ? 16 A 9 -ATOM 225 C CA . LYS A1 1 16 ? -26.858 13.477 -16.383 1.0 34.13 ? 16 A 9 -ATOM 226 C C . LYS A1 1 16 ? -25.413 13.304 -15.925 1.0 15.24 ? 16 A 9 -ATOM 227 O O . LYS A1 1 16 ? -24.503 13.169 -16.743 1.0 50.04 ? 16 A 9 -ATOM 228 C CB . LYS A1 1 16 ? -27.342 12.198 -17.071 1.0 31.42 ? 16 A 9 -ATOM 229 C CG . LYS A1 1 16 ? -27.943 11.183 -16.115 1.0 73.35 ? 16 A 9 -ATOM 230 C CD . LYS A1 1 16 ? -26.898 10.195 -15.622 1.0 50.3 ? 16 A 9 -ATOM 231 C CE . LYS A1 1 16 ? -26.419 9.285 -16.742 1.0 52.44 ? 16 A 9 -ATOM 232 N NZ . LYS A1 1 16 ? -26.906 7.888 -16.568 1.0 2.53 ? 16 A 9 -ATOM 233 H H . LYS A1 1 16 ? -26.419 14.658 -18.084 1.0 52.54 ? 16 A 9 -ATOM 234 H HA . LYS A1 1 16 ? -27.476 13.666 -15.519 1.0 34.34 ? 16 A 9 -ATOM 235 H HB2 . LYS A1 1 16 ? -28.091 12.46 -17.803 1.0 44.24 ? 16 A 9 -ATOM 236 H HB3 . LYS A1 1 16 ? -26.505 11.736 -17.575 1.0 12.13 ? 16 A 9 -ATOM 237 H HG2 . LYS A1 1 16 ? -28.359 11.704 -15.265 1.0 3.41 ? 16 A 9 -ATOM 238 H HG3 . LYS A1 1 16 ? -28.725 10.64 -16.626 1.0 74.14 ? 16 A 9 -ATOM 239 H HD2 . LYS A1 1 16 ? -26.053 10.743 -15.232 1.0 63.23 ? 16 A 9 -ATOM 240 H HD3 . LYS A1 1 16 ? -27.33 9.59 -14.837 1.0 14.51 ? 16 A 9 -ATOM 241 H HE2 . LYS A1 1 16 ? -26.784 9.669 -17.682 1.0 44.12 ? 16 A 9 -ATOM 242 H HE3 . LYS A1 1 16 ? -25.339 9.283 -16.749 1.0 75.31 ? 16 A 9 -ATOM 243 H HZ1 . LYS A1 1 16 ? -27.943 7.86 -16.634 1.0 61.55 ? 16 A 9 -ATOM 244 H HZ2 . LYS A1 1 16 ? -26.618 7.523 -15.638 1.0 23.15 ? 16 A 9 -ATOM 245 H HZ3 . LYS A1 1 16 ? -26.505 7.276 -17.307 1.0 43.23 ? 16 A 9 -ATOM 246 N N . THR A1 1 17 ? -25.208 13.308 -14.611 1.0 33.03 ? 17 A 9 -ATOM 247 C CA . THR A1 1 17 ? -23.875 13.152 -14.045 1.0 61.21 ? 17 A 9 -ATOM 248 C C . THR A1 1 17 ? -23.551 11.683 -13.798 1.0 13.11 ? 17 A 9 -ATOM 249 O O . THR A1 1 17 ? -24.229 11.01 -13.021 1.0 32.24 ? 17 A 9 -ATOM 250 C CB . THR A1 1 17 ? -23.732 13.927 -12.721 1.0 22.54 ? 17 A 9 -ATOM 251 O OG1 . THR A1 1 17 ? -24.999 13.997 -12.056 1.0 24.32 ? 17 A 9 -ATOM 252 C CG2 . THR A1 1 17 ? -23.205 15.332 -12.97 1.0 72.42 ? 17 A 9 -ATOM 253 H H . THR A1 1 17 ? -25.974 13.42 -14.01 1.0 63.53 ? 17 A 9 -ATOM 254 H HA . THR A1 1 17 ? -23.163 13.554 -14.751 1.0 15.15 ? 17 A 9 -ATOM 255 H HB . THR A1 1 17 ? -23.031 13.402 -12.088 1.0 61.22 ? 17 A 9 -ATOM 256 H HG1 . THR A1 1 17 ? -25.26 13.119 -11.77 1.0 54.0 ? 17 A 9 -ATOM 257 H HG21 . THR A1 1 17 ? -23.993 16.048 -12.792 1.0 31.34 ? 17 A 9 -ATOM 258 H HG22 . THR A1 1 17 ? -22.869 15.414 -13.993 1.0 12.24 ? 17 A 9 -ATOM 259 H HG23 . THR A1 1 17 ? -22.381 15.53 -12.302 1.0 74.01 ? 17 A 9 -ATOM 260 N N . ILE A1 1 18 ? -22.511 11.192 -14.463 1.0 21.15 ? 18 A 9 -ATOM 261 C CA . ILE A1 1 18 ? -22.097 9.802 -14.314 1.0 42.23 ? 18 A 9 -ATOM 262 C C . ILE A1 1 18 ? -20.642 9.707 -13.866 1.0 2.02 ? 18 A 9 -ATOM 263 O O . ILE A1 1 18 ? -19.798 10.499 -14.286 1.0 34.24 ? 18 A 9 -ATOM 264 C CB . ILE A1 1 18 ? -22.269 9.019 -15.629 1.0 20.13 ? 18 A 9 -ATOM 265 C CG1 . ILE A1 1 18 ? -21.58 7.656 -15.53 1.0 0.43 ? 18 A 9 -ATOM 266 C CG2 . ILE A1 1 18 ? -21.711 9.817 -16.798 1.0 34.34 ? 18 A 9 -ATOM 267 C CD1 . ILE A1 1 18 ? -21.881 6.741 -16.697 1.0 41.12 ? 18 A 9 -ATOM 268 H H . ILE A1 1 18 ? -22.01 11.777 -15.068 1.0 72.35 ? 18 A 9 -ATOM 269 H HA . ILE A1 1 18 ? -22.724 9.346 -13.562 1.0 33.1 ? 18 A 9 -ATOM 270 H HB . ILE A1 1 18 ? -23.324 8.87 -15.797 1.0 55.23 ? 18 A 9 -ATOM 271 H HG12 . ILE A1 1 18 ? -20.512 7.801 -15.49 1.0 35.45 ? 18 A 9 -ATOM 272 H HG13 . ILE A1 1 18 ? -21.906 7.161 -14.627 1.0 15.51 ? 18 A 9 -ATOM 273 H HG21 . ILE A1 1 18 ? -20.76 10.247 -16.519 1.0 31.24 ? 18 A 9 -ATOM 274 H HG22 . ILE A1 1 18 ? -21.575 9.164 -17.646 1.0 60.32 ? 18 A 9 -ATOM 275 H HG23 . ILE A1 1 18 ? -22.4 10.606 -17.057 1.0 71.44 ? 18 A 9 -ATOM 276 H HD11 . ILE A1 1 18 ? -22.314 7.317 -17.503 1.0 32.31 ? 18 A 9 -ATOM 277 H HD12 . ILE A1 1 18 ? -20.966 6.279 -17.037 1.0 60.24 ? 18 A 9 -ATOM 278 H HD13 . ILE A1 1 18 ? -22.577 5.978 -16.386 1.0 25.35 ? 18 A 9 -ATOM 279 N N . THR A1 1 19 ? -20.355 8.731 -13.009 1.0 42.32 ? 19 A 9 -ATOM 280 C CA . THR A1 1 19 ? -19.003 8.532 -12.504 1.0 41.24 ? 19 A 9 -ATOM 281 C C . THR A1 1 19 ? -18.421 7.211 -12.997 1.0 70.21 ? 19 A 9 -ATOM 282 O O . THR A1 1 19 ? -19.111 6.192 -13.029 1.0 44.42 ? 19 A 9 -ATOM 283 C CB . THR A1 1 19 ? -18.97 8.551 -10.964 1.0 2.4 ? 19 A 9 -ATOM 284 O OG1 . THR A1 1 19 ? -20.155 9.174 -10.457 1.0 22.32 ? 19 A 9 -ATOM 285 C CG2 . THR A1 1 19 ? -17.744 9.296 -10.459 1.0 13.14 ? 19 A 9 -ATOM 286 H H . THR A1 1 19 ? -21.071 8.133 -12.711 1.0 1.15 ? 19 A 9 -ATOM 287 H HA . THR A1 1 19 ? -18.388 9.343 -12.867 1.0 65.43 ? 19 A 9 -ATOM 288 H HB . THR A1 1 19 ? -18.926 7.532 -10.607 1.0 44.24 ? 19 A 9 -ATOM 289 H HG1 . THR A1 1 19 ? -20.63 8.552 -9.899 1.0 60.25 ? 19 A 9 -ATOM 290 H HG21 . THR A1 1 19 ? -18.054 10.104 -9.813 1.0 73.33 ? 19 A 9 -ATOM 291 H HG22 . THR A1 1 19 ? -17.195 9.697 -11.298 1.0 23.45 ? 19 A 9 -ATOM 292 H HG23 . THR A1 1 19 ? -17.112 8.616 -9.906 1.0 51.03 ? 19 A 9 -ATOM 293 N N . ILE A1 1 20 ? -17.149 7.237 -13.379 1.0 2.13 ? 20 A 9 -ATOM 294 C CA . ILE A1 1 20 ? -16.475 6.041 -13.868 1.0 23.24 ? 20 A 9 -ATOM 295 C C . ILE A1 1 20 ? -15.025 5.995 -13.396 1.0 21.51 ? 20 A 9 -ATOM 296 O O . ILE A1 1 20 ? -14.295 6.98 -13.504 1.0 3.54 ? 20 A 9 -ATOM 297 C CB . ILE A1 1 20 ? -16.505 5.967 -15.406 1.0 55.55 ? 20 A 9 -ATOM 298 C CG1 . ILE A1 1 20 ? -16.397 7.369 -16.008 1.0 1.5 ? 20 A 9 -ATOM 299 C CG2 . ILE A1 1 20 ? -17.776 5.277 -15.878 1.0 1.32 ? 20 A 9 -ATOM 300 C CD1 . ILE A1 1 20 ? -15.649 7.407 -17.322 1.0 2.4 ? 20 A 9 -ATOM 301 H H . ILE A1 1 20 ? -16.651 8.079 -13.33 1.0 32.52 ? 20 A 9 -ATOM 302 H HA . ILE A1 1 20 ? -16.997 5.18 -13.476 1.0 40.32 ? 20 A 9 -ATOM 303 H HB . ILE A1 1 20 ? -15.662 5.377 -15.732 1.0 75.22 ? 20 A 9 -ATOM 304 H HG12 . ILE A1 1 20 ? -17.389 7.757 -16.181 1.0 4.24 ? 20 A 9 -ATOM 305 H HG13 . ILE A1 1 20 ? -15.88 8.013 -15.311 1.0 20.02 ? 20 A 9 -ATOM 306 H HG21 . ILE A1 1 20 ? -18.088 4.553 -15.141 1.0 41.11 ? 20 A 9 -ATOM 307 H HG22 . ILE A1 1 20 ? -18.555 6.012 -16.012 1.0 51.34 ? 20 A 9 -ATOM 308 H HG23 . ILE A1 1 20 ? -17.588 4.778 -16.817 1.0 74.34 ? 20 A 9 -ATOM 309 H HD11 . ILE A1 1 20 ? -16.002 8.24 -17.913 1.0 44.23 ? 20 A 9 -ATOM 310 H HD12 . ILE A1 1 20 ? -14.592 7.525 -17.131 1.0 43.31 ? 20 A 9 -ATOM 311 H HD13 . ILE A1 1 20 ? -15.818 6.487 -17.86 1.0 23.14 ? 20 A 9 -ATOM 312 N N . ASP A1 1 21 ? -14.615 4.844 -12.875 1.0 44.41 ? 21 A 9 -ATOM 313 C CA . ASP A1 1 21 ? -13.251 4.667 -12.389 1.0 13.43 ? 21 A 9 -ATOM 314 C C . ASP A1 1 21 ? -12.304 4.337 -13.538 1.0 74.52 ? 21 A 9 -ATOM 315 O O . ASP A1 1 21 ? -12.501 3.358 -14.258 1.0 3.25 ? 21 A 9 -ATOM 316 C CB . ASP A1 1 21 ? -13.202 3.559 -11.336 1.0 40.32 ? 21 A 9 -ATOM 317 C CG . ASP A1 1 21 ? -13.876 2.285 -11.804 1.0 70.32 ? 21 A 9 -ATOM 318 O OD1 . ASP A1 1 21 ? -15.124 2.251 -11.836 1.0 34.41 ? 21 A 9 -ATOM 319 O OD2 . ASP A1 1 21 ? -13.156 1.32 -12.138 1.0 4.34 ? 21 A 9 -ATOM 320 H H . ASP A1 1 21 ? -15.244 4.094 -12.816 1.0 61.24 ? 21 A 9 -ATOM 321 H HA . ASP A1 1 21 ? -12.938 5.596 -11.936 1.0 0.1 ? 21 A 9 -ATOM 322 H HB2 . ASP A1 1 21 ? -12.17 3.335 -11.106 1.0 73.15 ? 21 A 9 -ATOM 323 H HB3 . ASP A1 1 21 ? -13.699 3.901 -10.44 1.0 61.23 ? 21 A 9 -ATOM 324 N N . VAL A1 1 22 ? -11.274 5.161 -13.704 1.0 30.34 ? 22 A 9 -ATOM 325 C CA . VAL A1 1 22 ? -10.295 4.956 -14.765 1.0 1.34 ? 22 A 9 -ATOM 326 C C . VAL A1 1 22 ? -8.875 5.172 -14.253 1.0 61.2 ? 22 A 9 -ATOM 327 O O . VAL A1 1 22 ? -8.671 5.76 -13.19 1.0 34.03 ? 22 A 9 -ATOM 328 C CB . VAL A1 1 22 ? -10.549 5.903 -15.953 1.0 60.13 ? 22 A 9 -ATOM 329 C CG1 . VAL A1 1 22 ? -11.998 6.367 -15.966 1.0 14.0 ? 22 A 9 -ATOM 330 C CG2 . VAL A1 1 22 ? -9.601 7.091 -15.9 1.0 61.12 ? 22 A 9 -ATOM 331 H H . VAL A1 1 22 ? -11.169 5.924 -13.098 1.0 71.0 ? 22 A 9 -ATOM 332 H HA . VAL A1 1 22 ? -10.39 3.939 -15.116 1.0 41.13 ? 22 A 9 -ATOM 333 H HB . VAL A1 1 22 ? -10.36 5.36 -16.867 1.0 23.42 ? 22 A 9 -ATOM 334 H HG11 . VAL A1 1 22 ? -12.2 6.888 -16.89 1.0 3.13 ? 22 A 9 -ATOM 335 H HG12 . VAL A1 1 22 ? -12.651 5.51 -15.884 1.0 11.12 ? 22 A 9 -ATOM 336 H HG13 . VAL A1 1 22 ? -12.17 7.032 -15.133 1.0 2.3 ? 22 A 9 -ATOM 337 H HG21 . VAL A1 1 22 ? -9.569 7.482 -14.893 1.0 43.3 ? 22 A 9 -ATOM 338 H HG22 . VAL A1 1 22 ? -8.612 6.775 -16.196 1.0 71.52 ? 22 A 9 -ATOM 339 H HG23 . VAL A1 1 22 ? -9.949 7.861 -16.573 1.0 24.41 ? 22 A 9 -ATOM 340 N N . ASP A1 1 23 ? -7.898 4.693 -15.015 1.0 73.14 ? 23 A 9 -ATOM 341 C CA . ASP A1 1 23 ? -6.496 4.835 -14.639 1.0 0.33 ? 23 A 9 -ATOM 342 C C . ASP A1 1 23 ? -5.765 5.759 -15.607 1.0 62.12 ? 23 A 9 -ATOM 343 O O . ASP A1 1 23 ? -6.136 5.87 -16.776 1.0 35.34 ? 23 A 9 -ATOM 344 C CB . ASP A1 1 23 ? -5.814 3.466 -14.606 1.0 24.44 ? 23 A 9 -ATOM 345 C CG . ASP A1 1 23 ? -4.96 3.274 -13.369 1.0 11.25 ? 23 A 9 -ATOM 346 O OD1 . ASP A1 1 23 ? -4.352 4.263 -12.908 1.0 71.52 ? 23 A 9 -ATOM 347 O OD2 . ASP A1 1 23 ? -4.899 2.135 -12.861 1.0 54.12 ? 23 A 9 -ATOM 348 H H . ASP A1 1 23 ? -8.125 4.234 -15.85 1.0 71.31 ? 23 A 9 -ATOM 349 H HA . ASP A1 1 23 ? -6.46 5.268 -13.651 1.0 62.03 ? 23 A 9 -ATOM 350 H HB2 . ASP A1 1 23 ? -6.57 2.694 -14.623 1.0 75.32 ? 23 A 9 -ATOM 351 H HB3 . ASP A1 1 23 ? -5.183 3.365 -15.477 1.0 32.1 ? 23 A 9 -ATOM 352 N N . HIS A1 1 24 ? -4.724 6.422 -15.112 1.0 3.42 ? 24 A 9 -ATOM 353 C CA . HIS A1 1 24 ? -3.94 7.338 -15.934 1.0 64.1 ? 24 A 9 -ATOM 354 C C . HIS A1 1 24 ? -3.298 6.602 -17.106 1.0 13.22 ? 24 A 9 -ATOM 355 O O . HIS A1 1 24 ? -2.84 7.222 -18.065 1.0 40.32 ? 24 A 9 -ATOM 356 C CB . HIS A1 1 24 ? -2.861 8.017 -15.09 1.0 43.52 ? 24 A 9 -ATOM 357 C CG . HIS A1 1 24 ? -1.968 7.053 -14.371 1.0 63.23 ? 24 A 9 -ATOM 358 N ND1 . HIS A1 1 24 ? -1.013 6.291 -15.01 1.0 33.23 ? 24 A 9 -ATOM 359 C CD2 . HIS A1 1 24 ? -1.888 6.73 -13.059 1.0 70.35 ? 24 A 9 -ATOM 360 C CE1 . HIS A1 1 24 ? -0.385 5.541 -14.123 1.0 52.22 ? 24 A 9 -ATOM 361 N NE2 . HIS A1 1 24 ? -0.897 5.788 -12.931 1.0 51.1 ? 24 A 9 -ATOM 362 H H . HIS A1 1 24 ? -4.477 6.292 -14.173 1.0 35.01 ? 24 A 9 -ATOM 363 H HA . HIS A1 1 24 ? -4.609 8.091 -16.321 1.0 52.33 ? 24 A 9 -ATOM 364 H HB2 . HIS A1 1 24 ? -2.242 8.626 -15.732 1.0 74.33 ? 24 A 9 -ATOM 365 H HB3 . HIS A1 1 24 ? -3.334 8.647 -14.351 1.0 2.24 ? 24 A 9 -ATOM 366 H HD1 . HIS A1 1 24 ? -0.824 6.299 -15.972 1.0 61.24 ? 24 A 9 -ATOM 367 H HD2 . HIS A1 1 24 ? -2.492 7.137 -12.26 1.0 14.35 ? 24 A 9 -ATOM 368 H HE1 . HIS A1 1 24 ? 0.411 4.843 -14.335 1.0 73.24 ? 24 A 9 -ATOM 369 N N . ALA A1 1 25 ? -3.269 5.276 -17.022 1.0 63.43 ? 25 A 9 -ATOM 370 C CA . ALA A1 1 25 ? -2.685 4.456 -18.076 1.0 43.32 ? 25 A 9 -ATOM 371 C C . ALA A1 1 25 ? -3.71 4.144 -19.16 1.0 33.54 ? 25 A 9 -ATOM 372 O O . ALA A1 1 25 ? -3.447 3.354 -20.068 1.0 12.23 ? 25 A 9 -ATOM 373 C CB . ALA A1 1 25 ? -2.122 3.168 -17.492 1.0 51.34 ? 25 A 9 -ATOM 374 H H . ALA A1 1 25 ? -3.651 4.839 -16.232 1.0 55.41 ? 25 A 9 -ATOM 375 H HA . ALA A1 1 25 ? -1.868 5.01 -18.515 1.0 23.12 ? 25 A 9 -ATOM 376 H HB1 . ALA A1 1 25 ? -2.882 2.681 -16.899 1.0 42.21 ? 25 A 9 -ATOM 377 H HB2 . ALA A1 1 25 ? -1.815 2.514 -18.294 1.0 3.14 ? 25 A 9 -ATOM 378 H HB3 . ALA A1 1 25 ? -1.271 3.398 -16.868 1.0 44.44 ? 25 A 9 -ATOM 379 N N . ASP A1 1 26 ? -4.878 4.768 -19.061 1.0 53.31 ? 26 A 9 -ATOM 380 C CA . ASP A1 1 26 ? -5.944 4.556 -20.034 1.0 71.32 ? 26 A 9 -ATOM 381 C C . ASP A1 1 26 ? -6.008 5.711 -21.028 1.0 31.24 ? 26 A 9 -ATOM 382 O O . ASP A1 1 26 ? -5.091 6.53 -21.107 1.0 53.43 ? 26 A 9 -ATOM 383 C CB . ASP A1 1 26 ? -7.29 4.403 -19.324 1.0 21.1 ? 26 A 9 -ATOM 384 C CG . ASP A1 1 26 ? -7.249 3.359 -18.225 1.0 73.54 ? 26 A 9 -ATOM 385 O OD1 . ASP A1 1 26 ? -6.278 2.575 -18.189 1.0 73.22 ? 26 A 9 -ATOM 386 O OD2 . ASP A1 1 26 ? -8.188 3.326 -17.403 1.0 2.02 ? 26 A 9 -ATOM 387 H H . ASP A1 1 26 ? -5.028 5.386 -18.315 1.0 73.33 ? 26 A 9 -ATOM 388 H HA . ASP A1 1 26 ? -5.725 3.646 -20.572 1.0 35.3 ? 26 A 9 -ATOM 389 H HB2 . ASP A1 1 26 ? -7.567 5.35 -18.884 1.0 71.15 ? 26 A 9 -ATOM 390 H HB3 . ASP A1 1 26 ? -8.039 4.112 -20.045 1.0 51.4 ? 26 A 9 -ATOM 391 N N . THR A1 1 27 ? -7.097 5.772 -21.788 1.0 11.22 ? 27 A 9 -ATOM 392 C CA . THR A1 1 27 ? -7.28 6.824 -22.779 1.0 12.11 ? 27 A 9 -ATOM 393 C C . THR A1 1 27 ? -8.753 7.187 -22.93 1.0 24.55 ? 27 A 9 -ATOM 394 O O . THR A1 1 27 ? -9.63 6.494 -22.414 1.0 14.34 ? 27 A 9 -ATOM 395 C CB . THR A1 1 27 ? -6.723 6.406 -24.153 1.0 24.42 ? 27 A 9 -ATOM 396 O OG1 . THR A1 1 27 ? -6.719 4.978 -24.266 1.0 51.41 ? 27 A 9 -ATOM 397 C CG2 . THR A1 1 27 ? -5.312 6.939 -24.35 1.0 72.22 ? 27 A 9 -ATOM 398 H H . THR A1 1 27 ? -7.793 5.091 -21.679 1.0 1.33 ? 27 A 9 -ATOM 399 H HA . THR A1 1 27 ? -6.737 7.696 -22.444 1.0 54.42 ? 27 A 9 -ATOM 400 H HB . THR A1 1 27 ? -7.359 6.818 -24.923 1.0 51.23 ? 27 A 9 -ATOM 401 H HG1 . THR A1 1 27 ? -5.901 4.631 -23.902 1.0 23.44 ? 27 A 9 -ATOM 402 H HG21 . THR A1 1 27 ? -4.926 6.594 -25.297 1.0 20.21 ? 27 A 9 -ATOM 403 H HG22 . THR A1 1 27 ? -4.678 6.583 -23.551 1.0 40.31 ? 27 A 9 -ATOM 404 H HG23 . THR A1 1 27 ? -5.331 8.019 -24.341 1.0 53.14 ? 27 A 9 -ATOM 405 N N . VAL A1 1 28 ? -9.019 8.278 -23.641 1.0 70.04 ? 28 A 9 -ATOM 406 C CA . VAL A1 1 28 ? -10.387 8.732 -23.862 1.0 40.12 ? 28 A 9 -ATOM 407 C C . VAL A1 1 28 ? -11.216 7.661 -24.562 1.0 43.3 ? 28 A 9 -ATOM 408 O O . VAL A1 1 28 ? -12.326 7.343 -24.137 1.0 51.44 ? 28 A 9 -ATOM 409 C CB . VAL A1 1 28 ? -10.422 10.022 -24.702 1.0 70.14 ? 28 A 9 -ATOM 410 C CG1 . VAL A1 1 28 ? -11.809 10.645 -24.669 1.0 13.41 ? 28 A 9 -ATOM 411 C CG2 . VAL A1 1 28 ? -9.374 11.008 -24.208 1.0 73.55 ? 28 A 9 -ATOM 412 H H . VAL A1 1 28 ? -8.278 8.79 -24.028 1.0 50.23 ? 28 A 9 -ATOM 413 H HA . VAL A1 1 28 ? -10.829 8.943 -22.899 1.0 62.42 ? 28 A 9 -ATOM 414 H HB . VAL A1 1 28 ? -10.191 9.768 -25.726 1.0 52.41 ? 28 A 9 -ATOM 415 H HG11 . VAL A1 1 28 ? -11.879 11.408 -25.43 1.0 72.32 ? 28 A 9 -ATOM 416 H HG12 . VAL A1 1 28 ? -12.551 9.882 -24.853 1.0 75.12 ? 28 A 9 -ATOM 417 H HG13 . VAL A1 1 28 ? -11.982 11.088 -23.699 1.0 43.12 ? 28 A 9 -ATOM 418 H HG21 . VAL A1 1 28 ? -9.862 11.9 -23.844 1.0 22.23 ? 28 A 9 -ATOM 419 H HG22 . VAL A1 1 28 ? -8.805 10.557 -23.409 1.0 21.24 ? 28 A 9 -ATOM 420 H HG23 . VAL A1 1 28 ? -8.711 11.267 -25.02 1.0 51.43 ? 28 A 9 -ATOM 421 N N . GLY A1 1 29 ? -10.667 7.105 -25.638 1.0 51.02 ? 29 A 9 -ATOM 422 C CA . GLY A1 1 29 ? -11.369 6.074 -26.38 1.0 24.21 ? 29 A 9 -ATOM 423 C C . GLY A1 1 29 ? -11.912 4.981 -25.482 1.0 62.32 ? 29 A 9 -ATOM 424 O O . GLY A1 1 29 ? -13.092 4.639 -25.552 1.0 1.41 ? 29 A 9 -ATOM 425 H H . GLY A1 1 29 ? -9.779 7.398 -25.931 1.0 25.44 ? 29 A 9 -ATOM 426 H HA2 . GLY A1 1 29 ? -12.191 6.527 -26.915 1.0 33.14 ? 29 A 9 -ATOM 427 H HA3 . GLY A1 1 29 ? -10.688 5.633 -27.093 1.0 61.11 ? 29 A 9 -ATOM 428 N N . ALA A1 1 30 ? -11.048 4.429 -24.636 1.0 0.3 ? 30 A 9 -ATOM 429 C CA . ALA A1 1 30 ? -11.447 3.368 -23.72 1.0 24.42 ? 30 A 9 -ATOM 430 C C . ALA A1 1 30 ? -12.554 3.839 -22.783 1.0 23.15 ? 30 A 9 -ATOM 431 O O . ALA A1 1 30 ? -13.501 3.104 -22.505 1.0 23.32 ? 30 A 9 -ATOM 432 C CB . ALA A1 1 30 ? -10.247 2.882 -22.92 1.0 4.23 ? 30 A 9 -ATOM 433 H H . ALA A1 1 30 ? -10.12 4.744 -24.627 1.0 13.0 ? 30 A 9 -ATOM 434 H HA . ALA A1 1 30 ? -11.816 2.54 -24.308 1.0 42.35 ? 30 A 9 -ATOM 435 H HB1 . ALA A1 1 30 ? -10.209 1.803 -22.95 1.0 24.3 ? 30 A 9 -ATOM 436 H HB2 . ALA A1 1 30 ? -9.342 3.287 -23.347 1.0 15.25 ? 30 A 9 -ATOM 437 H HB3 . ALA A1 1 30 ? -10.341 3.211 -21.895 1.0 54.13 ? 30 A 9 -ATOM 438 N N . VAL A1 1 31 ? -12.429 5.071 -22.298 1.0 44.02 ? 31 A 9 -ATOM 439 C CA . VAL A1 1 31 ? -13.419 5.64 -21.392 1.0 44.43 ? 31 A 9 -ATOM 440 C C . VAL A1 1 31 ? -14.786 5.735 -22.062 1.0 22.33 ? 31 A 9 -ATOM 441 O O . VAL A1 1 31 ? -15.81 5.427 -21.453 1.0 41.34 ? 31 A 9 -ATOM 442 C CB . VAL A1 1 31 ? -12.998 7.041 -20.909 1.0 42.01 ? 31 A 9 -ATOM 443 C CG1 . VAL A1 1 31 ? -14.101 7.671 -20.072 1.0 61.22 ? 31 A 9 -ATOM 444 C CG2 . VAL A1 1 31 ? -11.698 6.964 -20.123 1.0 34.2 ? 31 A 9 -ATOM 445 H H . VAL A1 1 31 ? -11.652 5.609 -22.556 1.0 33.11 ? 31 A 9 -ATOM 446 H HA . VAL A1 1 31 ? -13.495 4.993 -20.531 1.0 53.53 ? 31 A 9 -ATOM 447 H HB . VAL A1 1 31 ? -12.834 7.664 -21.776 1.0 34.14 ? 31 A 9 -ATOM 448 H HG11 . VAL A1 1 31 ? -14.662 8.365 -20.681 1.0 24.43 ? 31 A 9 -ATOM 449 H HG12 . VAL A1 1 31 ? -14.759 6.899 -19.703 1.0 62.24 ? 31 A 9 -ATOM 450 H HG13 . VAL A1 1 31 ? -13.662 8.199 -19.238 1.0 4.44 ? 31 A 9 -ATOM 451 H HG21 . VAL A1 1 31 ? -10.895 7.381 -20.713 1.0 32.4 ? 31 A 9 -ATOM 452 H HG22 . VAL A1 1 31 ? -11.799 7.525 -19.206 1.0 31.51 ? 31 A 9 -ATOM 453 H HG23 . VAL A1 1 31 ? -11.477 5.932 -19.892 1.0 2.41 ? 31 A 9 -ATOM 454 N N . LYS A1 1 32 ? -14.794 6.163 -23.319 1.0 44.33 ? 32 A 9 -ATOM 455 C CA . LYS A1 1 32 ? -16.034 6.298 -24.074 1.0 33.41 ? 32 A 9 -ATOM 456 C C . LYS A1 1 32 ? -16.802 4.98 -24.098 1.0 33.52 ? 32 A 9 -ATOM 457 O O . LYS A1 1 32 ? -18.023 4.96 -23.946 1.0 55.22 ? 32 A 9 -ATOM 458 C CB . LYS A1 1 32 ? -15.737 6.753 -25.505 1.0 21.43 ? 32 A 9 -ATOM 459 C CG . LYS A1 1 32 ? -16.306 8.121 -25.839 1.0 62.04 ? 32 A 9 -ATOM 460 C CD . LYS A1 1 32 ? -15.228 9.192 -25.826 1.0 13.3 ? 32 A 9 -ATOM 461 C CE . LYS A1 1 32 ? -14.681 9.449 -27.221 1.0 61.02 ? 32 A 9 -ATOM 462 N NZ . LYS A1 1 32 ? -14.291 8.185 -27.906 1.0 10.13 ? 32 A 9 -ATOM 463 H H . LYS A1 1 32 ? -13.944 6.394 -23.751 1.0 0.43 ? 32 A 9 -ATOM 464 H HA . LYS A1 1 32 ? -16.64 7.046 -23.586 1.0 20.21 ? 32 A 9 -ATOM 465 H HB2 . LYS A1 1 32 ? -14.667 6.787 -25.644 1.0 31.13 ? 32 A 9 -ATOM 466 H HB3 . LYS A1 1 32 ? -16.158 6.033 -26.193 1.0 51.43 ? 32 A 9 -ATOM 467 H HG2 . LYS A1 1 32 ? -16.751 8.085 -26.822 1.0 34.55 ? 32 A 9 -ATOM 468 H HG3 . LYS A1 1 32 ? -17.062 8.374 -25.109 1.0 75.31 ? 32 A 9 -ATOM 469 H HD2 . LYS A1 1 32 ? -15.649 10.109 -25.442 1.0 62.53 ? 32 A 9 -ATOM 470 H HD3 . LYS A1 1 32 ? -14.42 8.868 -25.185 1.0 34.24 ? 32 A 9 -ATOM 471 H HE2 . LYS A1 1 32 ? -15.441 9.944 -27.806 1.0 32.35 ? 32 A 9 -ATOM 472 H HE3 . LYS A1 1 32 ? -13.814 10.088 -27.142 1.0 31.14 ? 32 A 9 -ATOM 473 H HZ1 . LYS A1 1 32 ? -15.132 7.713 -28.293 1.0 3.34 ? 32 A 9 -ATOM 474 H HZ2 . LYS A1 1 32 ? -13.825 7.544 -27.232 1.0 11.13 ? 32 A 9 -ATOM 475 H HZ3 . LYS A1 1 32 ? -13.632 8.389 -28.684 1.0 13.55 ? 32 A 9 -ATOM 476 N N . ALA A1 1 33 ? -16.078 3.882 -24.287 1.0 34.21 ? 33 A 9 -ATOM 477 C CA . ALA A1 1 33 ? -16.692 2.56 -24.326 1.0 60.31 ? 33 A 9 -ATOM 478 C C . ALA A1 1 33 ? -17.324 2.208 -22.984 1.0 31.03 ? 33 A 9 -ATOM 479 O O . ALA A1 1 33 ? -18.411 1.634 -22.929 1.0 31.32 ? 33 A 9 -ATOM 480 C CB . ALA A1 1 33 ? -15.662 1.511 -24.718 1.0 54.24 ? 33 A 9 -ATOM 481 H H . ALA A1 1 33 ? -15.109 3.962 -24.402 1.0 43.1 ? 33 A 9 -ATOM 482 H HA . ALA A1 1 33 ? -17.463 2.573 -25.083 1.0 53.01 ? 33 A 9 -ATOM 483 H HB1 . ALA A1 1 33 ? -14.745 1.688 -24.176 1.0 2.33 ? 33 A 9 -ATOM 484 H HB2 . ALA A1 1 33 ? -16.039 0.529 -24.478 1.0 61.23 ? 33 A 9 -ATOM 485 H HB3 . ALA A1 1 33 ? -15.471 1.574 -25.779 1.0 53.23 ? 33 A 9 -ATOM 486 N N . LYS A1 1 34 ? -16.635 2.555 -21.902 1.0 30.14 ? 34 A 9 -ATOM 487 C CA . LYS A1 1 34 ? -17.128 2.277 -20.558 1.0 3.41 ? 34 A 9 -ATOM 488 C C . LYS A1 1 34 ? -18.467 2.966 -20.316 1.0 51.04 ? 34 A 9 -ATOM 489 O O . LYS A1 1 34 ? -19.396 2.366 -19.776 1.0 30.3 ? 34 A 9 -ATOM 490 C CB . LYS A1 1 34 ? -16.109 2.737 -19.513 1.0 63.02 ? 34 A 9 -ATOM 491 C CG . LYS A1 1 34 ? -16.517 2.422 -18.085 1.0 24.43 ? 34 A 9 -ATOM 492 C CD . LYS A1 1 34 ? -16.54 0.924 -17.829 1.0 44.42 ? 34 A 9 -ATOM 493 C CE . LYS A1 1 34 ? -15.146 0.322 -17.918 1.0 34.12 ? 34 A 9 -ATOM 494 N NZ . LYS A1 1 34 ? -14.183 1.02 -17.022 1.0 13.0 ? 34 A 9 -ATOM 495 H H . LYS A1 1 34 ? -15.773 3.011 -22.01 1.0 65.25 ? 34 A 9 -ATOM 496 H HA . LYS A1 1 34 ? -17.265 1.21 -20.47 1.0 3.22 ? 34 A 9 -ATOM 497 H HB2 . LYS A1 1 34 ? -15.164 2.252 -19.711 1.0 71.03 ? 34 A 9 -ATOM 498 H HB3 . LYS A1 1 34 ? -15.979 3.806 -19.601 1.0 71.12 ? 34 A 9 -ATOM 499 H HG2 . LYS A1 1 34 ? -15.812 2.881 -17.408 1.0 24.23 ? 34 A 9 -ATOM 500 H HG3 . LYS A1 1 34 ? -17.505 2.823 -17.906 1.0 22.21 ? 34 A 9 -ATOM 501 H HD2 . LYS A1 1 34 ? -16.936 0.742 -16.841 1.0 63.43 ? 34 A 9 -ATOM 502 H HD3 . LYS A1 1 34 ? -17.174 0.451 -18.566 1.0 75.33 ? 34 A 9 -ATOM 503 H HE2 . LYS A1 1 34 ? -15.198 -0.718 -17.635 1.0 34.14 ? 34 A 9 -ATOM 504 H HE3 . LYS A1 1 34 ? -14.798 0.401 -18.937 1.0 0.12 ? 34 A 9 -ATOM 505 H HZ1 . LYS A1 1 34 ? -13.835 1.888 -17.477 1.0 62.42 ? 34 A 9 -ATOM 506 H HZ2 . LYS A1 1 34 ? -13.373 0.401 -16.817 1.0 14.2 ? 34 A 9 -ATOM 507 H HZ3 . LYS A1 1 34 ? -14.646 1.273 -16.126 1.0 65.2 ? 34 A 9 -ATOM 508 N N . ILE A1 1 35 ? -18.558 4.229 -20.72 1.0 14.42 ? 35 A 9 -ATOM 509 C CA . ILE A1 1 35 ? -19.785 4.998 -20.549 1.0 22.32 ? 35 A 9 -ATOM 510 C C . ILE A1 1 35 ? -20.916 4.425 -21.396 1.0 74.31 ? 35 A 9 -ATOM 511 O O . ILE A1 1 35 ? -22.075 4.419 -20.981 1.0 33.23 ? 35 A 9 -ATOM 512 C CB . ILE A1 1 35 ? -19.578 6.478 -20.922 1.0 42.5 ? 35 A 9 -ATOM 513 C CG1 . ILE A1 1 35 ? -18.407 7.067 -20.133 1.0 22.04 ? 35 A 9 -ATOM 514 C CG2 . ILE A1 1 35 ? -20.85 7.272 -20.665 1.0 45.14 ? 35 A 9 -ATOM 515 C CD1 . ILE A1 1 35 ? -18.563 6.937 -18.634 1.0 11.1 ? 35 A 9 -ATOM 516 H H . ILE A1 1 35 ? -17.783 4.653 -21.144 1.0 54.44 ? 35 A 9 -ATOM 517 H HA . ILE A1 1 35 ? -20.068 4.946 -19.508 1.0 30.01 ? 35 A 9 -ATOM 518 H HB . ILE A1 1 35 ? -19.355 6.532 -21.977 1.0 2.44 ? 35 A 9 -ATOM 519 H HG12 . ILE A1 1 35 ? -17.498 6.56 -20.417 1.0 3.24 ? 35 A 9 -ATOM 520 H HG13 . ILE A1 1 35 ? -18.316 8.117 -20.368 1.0 0.11 ? 35 A 9 -ATOM 521 H HG21 . ILE A1 1 35 ? -21.644 6.597 -20.382 1.0 65.32 ? 35 A 9 -ATOM 522 H HG22 . ILE A1 1 35 ? -20.678 7.978 -19.867 1.0 43.1 ? 35 A 9 -ATOM 523 H HG23 . ILE A1 1 35 ? -21.131 7.803 -21.562 1.0 75.41 ? 35 A 9 -ATOM 524 H HD11 . ILE A1 1 35 ? -17.795 6.281 -18.248 1.0 43.52 ? 35 A 9 -ATOM 525 H HD12 . ILE A1 1 35 ? -18.466 7.91 -18.176 1.0 71.15 ? 35 A 9 -ATOM 526 H HD13 . ILE A1 1 35 ? -19.534 6.525 -18.407 1.0 74.3 ? 35 A 9 -ATOM 527 N N . TYR A1 1 36 ? -20.571 3.942 -22.585 1.0 62.53 ? 36 A 9 -ATOM 528 C CA . TYR A1 1 36 ? -21.557 3.366 -23.491 1.0 64.44 ? 36 A 9 -ATOM 529 C C . TYR A1 1 36 ? -22.313 2.223 -22.82 1.0 53.42 ? 36 A 9 -ATOM 530 O O . TYR A1 1 36 ? -23.538 2.137 -22.91 1.0 34.33 ? 36 A 9 -ATOM 531 C CB . TYR A1 1 36 ? -20.877 2.863 -24.766 1.0 74.42 ? 36 A 9 -ATOM 532 C CG . TYR A1 1 36 ? -21.317 1.478 -25.181 1.0 43.51 ? 36 A 9 -ATOM 533 C CD1 . TYR A1 1 36 ? -22.583 1.259 -25.709 1.0 62.31 ? 36 A 9 -ATOM 534 C CD2 . TYR A1 1 36 ? -20.467 0.387 -25.043 1.0 22.21 ? 36 A 9 -ATOM 535 C CE1 . TYR A1 1 36 ? -22.99 -0.006 -26.089 1.0 25.24 ? 36 A 9 -ATOM 536 C CE2 . TYR A1 1 36 ? -20.865 -0.881 -25.421 1.0 24.41 ? 36 A 9 -ATOM 537 C CZ . TYR A1 1 36 ? -22.127 -1.072 -25.944 1.0 51.0 ? 36 A 9 -ATOM 538 O OH . TYR A1 1 36 ? -22.528 -2.333 -26.32 1.0 31.41 ? 36 A 9 -ATOM 539 H H . TYR A1 1 36 ? -19.631 3.974 -22.86 1.0 42.53 ? 36 A 9 -ATOM 540 H HA . TYR A1 1 36 ? -22.26 4.143 -23.753 1.0 45.34 ? 36 A 9 -ATOM 541 H HB2 . TYR A1 1 36 ? -21.103 3.539 -25.576 1.0 32.41 ? 36 A 9 -ATOM 542 H HB3 . TYR A1 1 36 ? -19.808 2.84 -24.61 1.0 73.31 ? 36 A 9 -ATOM 543 H HD1 . TYR A1 1 36 ? -23.257 2.096 -25.822 1.0 14.41 ? 36 A 9 -ATOM 544 H HD2 . TYR A1 1 36 ? -19.48 0.54 -24.633 1.0 73.43 ? 36 A 9 -ATOM 545 H HE1 . TYR A1 1 36 ? -23.978 -0.156 -26.498 1.0 30.0 ? 36 A 9 -ATOM 546 H HE2 . TYR A1 1 36 ? -20.19 -1.716 -25.307 1.0 11.1 ? 36 A 9 -ATOM 547 H HH . TYR A1 1 36 ? -22.202 -2.975 -25.685 1.0 20.21 ? 36 A 9 -ATOM 548 N N . ASP A1 1 37 ? -21.573 1.349 -22.147 1.0 31.31 ? 37 A 9 -ATOM 549 C CA . ASP A1 1 37 ? -22.172 0.212 -21.458 1.0 4.3 ? 37 A 9 -ATOM 550 C C . ASP A1 1 37 ? -22.862 0.657 -20.172 1.0 30.32 ? 37 A 9 -ATOM 551 O O . ASP A1 1 37 ? -23.851 0.059 -19.747 1.0 62.0 ? 37 A 9 -ATOM 552 C CB . ASP A1 1 37 ? -21.106 -0.839 -21.142 1.0 35.43 ? 37 A 9 -ATOM 553 C CG . ASP A1 1 37 ? -21.689 -2.232 -21.008 1.0 34.32 ? 37 A 9 -ATOM 554 O OD1 . ASP A1 1 37 ? -22.923 -2.347 -20.857 1.0 31.12 ? 37 A 9 -ATOM 555 O OD2 . ASP A1 1 37 ? -20.91 -3.208 -21.052 1.0 3.2 ? 37 A 9 -ATOM 556 H H . ASP A1 1 37 ? -20.601 1.472 -22.112 1.0 51.42 ? 37 A 9 -ATOM 557 H HA . ASP A1 1 37 ? -22.909 -0.224 -22.115 1.0 32.24 ? 37 A 9 -ATOM 558 H HB2 . ASP A1 1 37 ? -20.374 -0.85 -21.936 1.0 43.14 ? 37 A 9 -ATOM 559 H HB3 . ASP A1 1 37 ? -20.619 -0.58 -20.213 1.0 34.23 ? 37 A 9 -ATOM 560 N N . LYS A1 1 38 ? -22.334 1.709 -19.557 1.0 33.03 ? 38 A 9 -ATOM 561 C CA . LYS A1 1 38 ? -22.898 2.236 -18.32 1.0 33.5 ? 38 A 9 -ATOM 562 C C . LYS A1 1 38 ? -24.382 2.544 -18.487 1.0 62.1 ? 38 A 9 -ATOM 563 O O . LYS A1 1 38 ? -25.198 2.185 -17.638 1.0 13.24 ? 38 A 9 -ATOM 564 C CB . LYS A1 1 38 ? -22.149 3.5 -17.891 1.0 32.13 ? 38 A 9 -ATOM 565 C CG . LYS A1 1 38 ? -21.39 3.343 -16.585 1.0 11.13 ? 38 A 9 -ATOM 566 C CD . LYS A1 1 38 ? -19.954 2.907 -16.824 1.0 55.11 ? 38 A 9 -ATOM 567 C CE . LYS A1 1 38 ? -19.846 1.397 -16.963 1.0 12.13 ? 38 A 9 -ATOM 568 N NZ . LYS A1 1 38 ? -19.274 0.767 -15.74 1.0 62.42 ? 38 A 9 -ATOM 569 H H . LYS A1 1 38 ? -21.545 2.143 -19.946 1.0 40.1 ? 38 A 9 -ATOM 570 H HA . LYS A1 1 38 ? -22.782 1.482 -17.556 1.0 13.43 ? 38 A 9 -ATOM 571 H HB2 . LYS A1 1 38 ? -21.443 3.765 -18.665 1.0 53.44 ? 38 A 9 -ATOM 572 H HB3 . LYS A1 1 38 ? -22.862 4.304 -17.775 1.0 74.35 ? 38 A 9 -ATOM 573 H HG2 . LYS A1 1 38 ? -21.385 4.29 -16.066 1.0 72.35 ? 38 A 9 -ATOM 574 H HG3 . LYS A1 1 38 ? -21.886 2.6 -15.978 1.0 65.33 ? 38 A 9 -ATOM 575 H HD2 . LYS A1 1 38 ? -19.593 3.367 -17.732 1.0 31.44 ? 38 A 9 -ATOM 576 H HD3 . LYS A1 1 38 ? -19.346 3.228 -15.99 1.0 51.13 ? 38 A 9 -ATOM 577 H HE2 . LYS A1 1 38 ? -20.831 0.993 -17.138 1.0 72.24 ? 38 A 9 -ATOM 578 H HE3 . LYS A1 1 38 ? -19.209 1.17 -17.805 1.0 52.14 ? 38 A 9 -ATOM 579 H HZ1 . LYS A1 1 38 ? -19.995 0.717 -14.993 1.0 12.21 ? 38 A 9 -ATOM 580 H HZ2 . LYS A1 1 38 ? -18.468 1.327 -15.394 1.0 31.3 ? 38 A 9 -ATOM 581 H HZ3 . LYS A1 1 38 ? -18.945 -0.196 -15.955 1.0 72.13 ? 38 A 9 -ATOM 582 N N . GLU A1 1 39 ? -24.725 3.208 -19.586 1.0 74.33 ? 39 A 9 -ATOM 583 C CA . GLU A1 1 39 ? -26.112 3.563 -19.863 1.0 31.43 ? 39 A 9 -ATOM 584 C C . GLU A1 1 39 ? -26.625 2.828 -21.098 1.0 55.55 ? 39 A 9 -ATOM 585 O O . GLU A1 1 39 ? -27.656 2.157 -21.05 1.0 44.25 ? 39 A 9 -ATOM 586 C CB . GLU A1 1 39 ? -26.245 5.074 -20.063 1.0 31.12 ? 39 A 9 -ATOM 587 C CG . GLU A1 1 39 ? -25.117 5.681 -20.88 1.0 22.34 ? 39 A 9 -ATOM 588 C CD . GLU A1 1 39 ? -25.138 7.197 -20.867 1.0 34.02 ? 39 A 9 -ATOM 589 O OE1 . GLU A1 1 39 ? -26.034 7.784 -21.509 1.0 60.52 ? 39 A 9 -ATOM 590 O OE2 . GLU A1 1 39 ? -24.258 7.797 -20.214 1.0 24.54 ? 39 A 9 -ATOM 591 H H . GLU A1 1 39 ? -24.028 3.466 -20.225 1.0 53.12 ? 39 A 9 -ATOM 592 H HA . GLU A1 1 39 ? -26.706 3.269 -19.011 1.0 24.23 ? 39 A 9 -ATOM 593 H HB2 . GLU A1 1 39 ? -27.178 5.277 -20.568 1.0 13.32 ? 39 A 9 -ATOM 594 H HB3 . GLU A1 1 39 ? -26.258 5.553 -19.095 1.0 53.15 ? 39 A 9 -ATOM 595 H HG2 . GLU A1 1 39 ? -24.174 5.346 -20.474 1.0 73.51 ? 39 A 9 -ATOM 596 H HG3 . GLU A1 1 39 ? -25.208 5.344 -21.902 1.0 55.55 ? 39 A 9 -ATOM 597 N N . GLY A1 1 40 ? -25.898 2.96 -22.203 1.0 41.31 ? 40 A 9 -ATOM 598 C CA . GLY A1 1 40 ? -26.295 2.304 -23.435 1.0 23.2 ? 40 A 9 -ATOM 599 C C . GLY A1 1 40 ? -26.41 3.271 -24.596 1.0 54.31 ? 40 A 9 -ATOM 600 O O . GLY A1 1 40 ? -27.408 3.269 -25.318 1.0 62.35 ? 40 A 9 -ATOM 601 H H . GLY A1 1 40 ? -25.085 3.507 -22.182 1.0 1.31 ? 40 A 9 -ATOM 602 H HA2 . GLY A1 1 40 ? -25.564 1.548 -23.68 1.0 42.33 ? 40 A 9 -ATOM 603 H HA3 . GLY A1 1 40 ? -27.253 1.827 -23.283 1.0 42.25 ? 40 A 9 -ATOM 604 N N . ILE A1 1 41 ? -25.388 4.101 -24.776 1.0 11.45 ? 41 A 9 -ATOM 605 C CA . ILE A1 1 41 ? -25.379 5.078 -25.857 1.0 13.21 ? 41 A 9 -ATOM 606 C C . ILE A1 1 41 ? -24.204 4.844 -26.8 1.0 73.14 ? 41 A 9 -ATOM 607 O O . ILE A1 1 41 ? -23.177 4.279 -26.424 1.0 54.03 ? 41 A 9 -ATOM 608 C CB . ILE A1 1 41 ? -25.308 6.518 -25.314 1.0 13.54 ? 41 A 9 -ATOM 609 C CG1 . ILE A1 1 41 ? -24.214 6.632 -24.251 1.0 35.25 ? 41 A 9 -ATOM 610 C CG2 . ILE A1 1 41 ? -26.655 6.935 -24.743 1.0 15.54 ? 41 A 9 -ATOM 611 C CD1 . ILE A1 1 41 ? -23.269 7.791 -24.478 1.0 51.21 ? 41 A 9 -ATOM 612 H H . ILE A1 1 41 ? -24.621 4.054 -24.167 1.0 10.31 ? 41 A 9 -ATOM 613 H HA . ILE A1 1 41 ? -26.3 4.969 -26.412 1.0 22.4 ? 41 A 9 -ATOM 614 H HB . ILE A1 1 41 ? -25.073 7.178 -26.135 1.0 2.22 ? 41 A 9 -ATOM 615 H HG12 . ILE A1 1 41 ? -24.673 6.764 -23.284 1.0 53.25 ? 41 A 9 -ATOM 616 H HG13 . ILE A1 1 41 ? -23.631 5.723 -24.247 1.0 73.21 ? 41 A 9 -ATOM 617 H HG21 . ILE A1 1 41 ? -26.529 7.814 -24.128 1.0 41.34 ? 41 A 9 -ATOM 618 H HG22 . ILE A1 1 41 ? -27.335 7.158 -25.551 1.0 35.01 ? 41 A 9 -ATOM 619 H HG23 . ILE A1 1 41 ? -27.058 6.132 -24.144 1.0 24.24 ? 41 A 9 -ATOM 620 H HD11 . ILE A1 1 41 ? -23.426 8.194 -25.469 1.0 13.35 ? 41 A 9 -ATOM 621 H HD12 . ILE A1 1 41 ? -23.458 8.56 -23.744 1.0 5.02 ? 41 A 9 -ATOM 622 H HD13 . ILE A1 1 41 ? -22.25 7.448 -24.387 1.0 73.01 ? 41 A 9 -ATOM 623 N N . PRO A1 1 42 ? -24.355 5.291 -28.056 1.0 42.01 ? 42 A 9 -ATOM 624 C CA . PRO A1 1 42 ? -23.315 5.144 -29.079 1.0 63.34 ? 42 A 9 -ATOM 625 C C . PRO A1 1 42 ? -22.104 6.029 -28.805 1.0 4.23 ? 42 A 9 -ATOM 626 O O . PRO A1 1 42 ? -22.189 7.257 -28.806 1.0 21.54 ? 42 A 9 -ATOM 627 C CB . PRO A1 1 42 ? -24.019 5.583 -30.365 1.0 63.45 ? 42 A 9 -ATOM 628 C CG . PRO A1 1 42 ? -25.104 6.497 -29.911 1.0 31.23 ? 42 A 9 -ATOM 629 C CD . PRO A1 1 42 ? -25.552 5.975 -28.574 1.0 52.22 ? 42 A 9 -ATOM 630 H HA . PRO A1 1 42 ? -22.995 4.117 -29.174 1.0 60.32 ? 42 A 9 -ATOM 631 H HB2 . PRO A1 1 42 ? -23.315 6.094 -31.007 1.0 50.23 ? 42 A 9 -ATOM 632 H HB3 . PRO A1 1 42 ? -24.418 4.719 -30.875 1.0 64.01 ? 42 A 9 -ATOM 633 H HG2 . PRO A1 1 42 ? -24.721 7.501 -29.812 1.0 0.11 ? 42 A 9 -ATOM 634 H HG3 . PRO A1 1 42 ? -25.922 6.474 -30.615 1.0 1.1 ? 42 A 9 -ATOM 635 H HD2 . PRO A1 1 42 ? -25.84 6.791 -27.927 1.0 11.32 ? 42 A 9 -ATOM 636 H HD3 . PRO A1 1 42 ? -26.37 5.28 -28.695 1.0 34.03 ? 42 A 9 -ATOM 637 N N . PRO A1 1 43 ? -20.947 5.393 -28.566 1.0 1.41 ? 43 A 9 -ATOM 638 C CA . PRO A1 1 43 ? -19.696 6.103 -28.287 1.0 62.53 ? 43 A 9 -ATOM 639 C C . PRO A1 1 43 ? -19.156 6.829 -29.515 1.0 21.35 ? 43 A 9 -ATOM 640 O O . PRO A1 1 43 ? -18.471 7.845 -29.396 1.0 73.42 ? 43 A 9 -ATOM 641 C CB . PRO A1 1 43 ? -18.74 4.986 -27.863 1.0 74.43 ? 43 A 9 -ATOM 642 C CG . PRO A1 1 43 ? -19.279 3.759 -28.514 1.0 42.11 ? 43 A 9 -ATOM 643 C CD . PRO A1 1 43 ? -20.773 3.931 -28.549 1.0 32.53 ? 43 A 9 -ATOM 644 H HA . PRO A1 1 43 ? -19.811 6.808 -27.477 1.0 3.1 ? 43 A 9 -ATOM 645 H HB2 . PRO A1 1 43 ? -17.741 5.212 -28.21 1.0 1.2 ? 43 A 9 -ATOM 646 H HB3 . PRO A1 1 43 ? -18.742 4.895 -26.787 1.0 52.2 ? 43 A 9 -ATOM 647 H HG2 . PRO A1 1 43 ? -18.888 3.673 -29.516 1.0 21.5 ? 43 A 9 -ATOM 648 H HG3 . PRO A1 1 43 ? -19.016 2.889 -27.931 1.0 41.32 ? 43 A 9 -ATOM 649 H HD2 . PRO A1 1 43 ? -21.183 3.483 -29.442 1.0 55.24 ? 43 A 9 -ATOM 650 H HD3 . PRO A1 1 43 ? -21.223 3.499 -27.667 1.0 31.14 ? 43 A 9 -ATOM 651 N N . ASP A1 1 44 ? -19.468 6.301 -30.693 1.0 54.12 ? 44 A 9 -ATOM 652 C CA . ASP A1 1 44 ? -19.015 6.899 -31.944 1.0 51.34 ? 44 A 9 -ATOM 653 C C . ASP A1 1 44 ? -19.864 8.115 -32.303 1.0 65.34 ? 44 A 9 -ATOM 654 O O . ASP A1 1 44 ? -19.477 8.926 -33.144 1.0 41.23 ? 44 A 9 -ATOM 655 C CB . ASP A1 1 44 ? -19.069 5.872 -33.075 1.0 23.35 ? 44 A 9 -ATOM 656 C CG . ASP A1 1 44 ? -18.28 6.31 -34.293 1.0 52.14 ? 44 A 9 -ATOM 657 O OD1 . ASP A1 1 44 ? -17.464 7.247 -34.167 1.0 70.43 ? 44 A 9 -ATOM 658 O OD2 . ASP A1 1 44 ? -18.479 5.715 -35.373 1.0 15.14 ? 44 A 9 -ATOM 659 H H . ASP A1 1 44 ? -20.017 5.489 -30.723 1.0 64.31 ? 44 A 9 -ATOM 660 H HA . ASP A1 1 44 ? -17.993 7.218 -31.808 1.0 72.42 ? 44 A 9 -ATOM 661 H HB2 . ASP A1 1 44 ? -18.66 4.936 -32.722 1.0 64.21 ? 44 A 9 -ATOM 662 H HB3 . ASP A1 1 44 ? -20.098 5.722 -33.368 1.0 74.33 ? 44 A 9 -ATOM 663 N N . GLN A1 1 45 ? -21.022 8.232 -31.662 1.0 24.51 ? 45 A 9 -ATOM 664 C CA . GLN A1 1 45 ? -21.926 9.348 -31.916 1.0 55.1 ? 45 A 9 -ATOM 665 C C . GLN A1 1 45 ? -21.797 10.411 -30.831 1.0 65.33 ? 45 A 9 -ATOM 666 O O . GLN A1 1 45 ? -22.301 11.524 -30.977 1.0 0.12 ? 45 A 9 -ATOM 667 C CB . GLN A1 1 45 ? -23.372 8.853 -31.992 1.0 3.33 ? 45 A 9 -ATOM 668 C CG . GLN A1 1 45 ? -23.775 8.364 -33.373 1.0 71.05 ? 45 A 9 -ATOM 669 C CD . GLN A1 1 45 ? -24.746 7.2 -33.32 1.0 50.21 ? 45 A 9 -ATOM 670 O OE1 . GLN A1 1 45 ? -25.895 7.354 -32.906 1.0 30.33 ? 45 A 9 -ATOM 671 N NE2 . GLN A1 1 45 ? -24.287 6.027 -33.739 1.0 54.11 ? 45 A 9 -ATOM 672 H H . GLN A1 1 45 ? -21.275 7.553 -31.003 1.0 33.14 ? 45 A 9 -ATOM 673 H HA . GLN A1 1 45 ? -21.655 9.784 -32.865 1.0 54.13 ? 45 A 9 -ATOM 674 H HB2 . GLN A1 1 45 ? -23.498 8.039 -31.294 1.0 72.22 ? 45 A 9 -ATOM 675 H HB3 . GLN A1 1 45 ? -24.031 9.662 -31.714 1.0 51.24 ? 45 A 9 -ATOM 676 H HG2 . GLN A1 1 45 ? -24.243 9.178 -33.907 1.0 11.31 ? 45 A 9 -ATOM 677 H HG3 . GLN A1 1 45 ? -22.888 8.05 -33.903 1.0 33.23 ? 45 A 9 -ATOM 678 H HE21 . GLN A1 1 45 ? -23.359 5.979 -34.054 1.0 35.4 ? 45 A 9 -ATOM 679 H HE22 . GLN A1 1 45 ? -24.892 5.257 -33.715 1.0 53.4 ? 45 A 9 -ATOM 680 N N . GLN A1 1 46 ? -21.119 10.06 -29.743 1.0 5.34 ? 46 A 9 -ATOM 681 C CA . GLN A1 1 46 ? -20.924 10.985 -28.633 1.0 54.21 ? 46 A 9 -ATOM 682 C C . GLN A1 1 46 ? -19.504 11.541 -28.629 1.0 23.33 ? 46 A 9 -ATOM 683 O O . GLN A1 1 46 ? -18.57 10.885 -29.091 1.0 42.0 ? 46 A 9 -ATOM 684 C CB . GLN A1 1 46 ? -21.216 10.288 -27.303 1.0 54.1 ? 46 A 9 -ATOM 685 C CG . GLN A1 1 46 ? -20.174 9.249 -26.92 1.0 63.33 ? 46 A 9 -ATOM 686 C CD . GLN A1 1 46 ? -19.273 9.714 -25.793 1.0 73.34 ? 46 A 9 -ATOM 687 O OE1 . GLN A1 1 46 ? -18.27 10.391 -26.023 1.0 62.34 ? 46 A 9 -ATOM 688 N NE2 . GLN A1 1 46 ? -19.626 9.353 -24.565 1.0 52.51 ? 46 A 9 -ATOM 689 H H . GLN A1 1 46 ? -20.741 9.159 -29.685 1.0 61.13 ? 46 A 9 -ATOM 690 H HA . GLN A1 1 46 ? -21.617 11.804 -28.759 1.0 1.54 ? 46 A 9 -ATOM 691 H HB2 . GLN A1 1 46 ? -21.256 11.032 -26.521 1.0 70.34 ? 46 A 9 -ATOM 692 H HB3 . GLN A1 1 46 ? -22.175 9.796 -27.371 1.0 24.41 ? 46 A 9 -ATOM 693 H HG2 . GLN A1 1 46 ? -20.681 8.348 -26.606 1.0 71.34 ? 46 A 9 -ATOM 694 H HG3 . GLN A1 1 46 ? -19.564 9.035 -27.785 1.0 12.44 ? 46 A 9 -ATOM 695 H HE21 . GLN A1 1 46 ? -20.437 8.812 -24.457 1.0 61.21 ? 46 A 9 -ATOM 696 H HE22 . GLN A1 1 46 ? -19.061 9.639 -23.818 1.0 54.41 ? 46 A 9 -ATOM 697 N N . ARG A1 1 47 ? -19.349 12.752 -28.105 1.0 11.31 ? 47 A 9 -ATOM 698 C CA . ARG A1 1 47 ? -18.042 13.396 -28.042 1.0 74.42 ? 47 A 9 -ATOM 699 C C . ARG A1 1 47 ? -17.858 14.124 -26.714 1.0 0.05 ? 47 A 9 -ATOM 700 O O . ARG A1 1 47 ? -18.829 14.433 -26.023 1.0 62.43 ? 47 A 9 -ATOM 701 C CB . ARG A1 1 47 ? -17.878 14.379 -29.202 1.0 53.24 ? 47 A 9 -ATOM 702 C CG . ARG A1 1 47 ? -18.814 15.575 -29.124 1.0 25.13 ? 47 A 9 -ATOM 703 C CD . ARG A1 1 47 ? -19.812 15.578 -30.271 1.0 74.31 ? 47 A 9 -ATOM 704 N NE . ARG A1 1 47 ? -20.696 16.739 -30.224 1.0 72.02 ? 47 A 9 -ATOM 705 C CZ . ARG A1 1 47 ? -20.3 17.976 -30.499 1.0 4.33 ? 47 A 9 -ATOM 706 N NH1 . ARG A1 1 47 ? -19.04 18.212 -30.84 1.0 22.33 ? 47 A 9 -ATOM 707 N NH2 . ARG A1 1 47 ? -21.164 18.981 -30.435 1.0 24.44 ? 47 A 9 -ATOM 708 H H . ARG A1 1 47 ? -20.131 13.224 -27.752 1.0 14.32 ? 47 A 9 -ATOM 709 H HA . ARG A1 1 47 ? -17.289 12.627 -28.125 1.0 52.1 ? 47 A 9 -ATOM 710 H HB2 . ARG A1 1 47 ? -16.862 14.745 -29.208 1.0 12.43 ? 47 A 9 -ATOM 711 H HB3 . ARG A1 1 47 ? -18.071 13.859 -30.129 1.0 31.22 ? 47 A 9 -ATOM 712 H HG2 . ARG A1 1 47 ? -19.356 15.535 -28.19 1.0 2.15 ? 47 A 9 -ATOM 713 H HG3 . ARG A1 1 47 ? -18.228 16.481 -29.164 1.0 3.22 ? 47 A 9 -ATOM 714 H HD2 . ARG A1 1 47 ? -19.268 15.59 -31.204 1.0 62.34 ? 47 A 9 -ATOM 715 H HD3 . ARG A1 1 47 ? -20.408 14.68 -30.214 1.0 4.32 ? 47 A 9 -ATOM 716 H HE . ARG A1 1 47 ? -21.631 16.587 -29.974 1.0 51.12 ? 47 A 9 -ATOM 717 H HH11 . ARG A1 1 47 ? -18.387 17.457 -30.891 1.0 35.02 ? 47 A 9 -ATOM 718 H HH12 . ARG A1 1 47 ? -18.745 19.145 -31.048 1.0 42.25 ? 47 A 9 -ATOM 719 H HH21 . ARG A1 1 47 ? -22.115 18.807 -30.178 1.0 32.54 ? 47 A 9 -ATOM 720 H HH22 . ARG A1 1 47 ? -20.865 19.912 -30.642 1.0 51.04 ? 47 A 9 -ATOM 721 N N . LEU A1 1 48 ? -16.605 14.395 -26.363 1.0 13.42 ? 48 A 9 -ATOM 722 C CA . LEU A1 1 48 ? -16.293 15.086 -25.117 1.0 63.04 ? 48 A 9 -ATOM 723 C C . LEU A1 1 48 ? -15.887 16.532 -25.384 1.0 70.54 ? 48 A 9 -ATOM 724 O O . LEU A1 1 48 ? -15.272 16.836 -26.406 1.0 13.22 ? 48 A 9 -ATOM 725 C CB . LEU A1 1 48 ? -15.171 14.359 -24.374 1.0 73.22 ? 48 A 9 -ATOM 726 C CG . LEU A1 1 48 ? -15.164 12.834 -24.496 1.0 23.01 ? 48 A 9 -ATOM 727 C CD1 . LEU A1 1 48 ? -16.578 12.285 -24.397 1.0 2.23 ? 48 A 9 -ATOM 728 C CD2 . LEU A1 1 48 ? -14.514 12.407 -25.803 1.0 62.5 ? 48 A 9 -ATOM 729 H H . LEU A1 1 48 ? -15.873 14.124 -26.954 1.0 13.1 ? 48 A 9 -ATOM 730 H HA . LEU A1 1 48 ? -17.182 15.082 -24.504 1.0 5.14 ? 48 A 9 -ATOM 731 H HB2 . LEU A1 1 48 ? -14.23 14.725 -24.756 1.0 14.35 ? 48 A 9 -ATOM 732 H HB3 . LEU A1 1 48 ? -15.254 14.608 -23.326 1.0 62.22 ? 48 A 9 -ATOM 733 H HG . LEU A1 1 48 ? -14.587 12.417 -23.682 1.0 74.12 ? 48 A 9 -ATOM 734 H HD11 . LEU A1 1 48 ? -17.187 12.96 -23.815 1.0 72.12 ? 48 A 9 -ATOM 735 H HD12 . LEU A1 1 48 ? -16.556 11.317 -23.919 1.0 51.52 ? 48 A 9 -ATOM 736 H HD13 . LEU A1 1 48 ? -16.996 12.186 -25.388 1.0 50.13 ? 48 A 9 -ATOM 737 H HD21 . LEU A1 1 48 ? -15.269 12.319 -26.569 1.0 32.51 ? 48 A 9 -ATOM 738 H HD22 . LEU A1 1 48 ? -14.026 11.453 -25.667 1.0 4.35 ? 48 A 9 -ATOM 739 H HD23 . LEU A1 1 48 ? -13.783 13.145 -26.1 1.0 44.23 ? 48 A 9 -ATOM 740 N N . ILE A1 1 49 ? -16.234 17.419 -24.457 1.0 13.31 ? 49 A 9 -ATOM 741 C CA . ILE A1 1 49 ? -15.903 18.832 -24.592 1.0 13.25 ? 49 A 9 -ATOM 742 C C . ILE A1 1 49 ? -15.481 19.428 -23.252 1.0 73.24 ? 49 A 9 -ATOM 743 O O . ILE A1 1 49 ? -16.184 19.292 -22.251 1.0 20.41 ? 49 A 9 -ATOM 744 C CB . ILE A1 1 49 ? -17.092 19.639 -25.147 1.0 42.12 ? 49 A 9 -ATOM 745 C CG1 . ILE A1 1 49 ? -17.199 19.453 -26.662 1.0 21.4 ? 49 A 9 -ATOM 746 C CG2 . ILE A1 1 49 ? -16.941 21.112 -24.798 1.0 44.11 ? 49 A 9 -ATOM 747 C CD1 . ILE A1 1 49 ? -18.497 18.813 -27.102 1.0 30.32 ? 49 A 9 -ATOM 748 H H . ILE A1 1 49 ? -16.724 17.116 -23.665 1.0 11.12 ? 49 A 9 -ATOM 749 H HA . ILE A1 1 49 ? -15.08 18.917 -25.286 1.0 31.54 ? 49 A 9 -ATOM 750 H HB . ILE A1 1 49 ? -17.994 19.274 -24.682 1.0 10.22 ? 49 A 9 -ATOM 751 H HG12 . ILE A1 1 49 ? -17.124 20.415 -27.143 1.0 52.53 ? 49 A 9 -ATOM 752 H HG13 . ILE A1 1 49 ? -16.387 18.823 -26.998 1.0 23.14 ? 49 A 9 -ATOM 753 H HG21 . ILE A1 1 49 ? -15.893 21.374 -24.784 1.0 54.41 ? 49 A 9 -ATOM 754 H HG22 . ILE A1 1 49 ? -17.451 21.711 -25.539 1.0 2.4 ? 49 A 9 -ATOM 755 H HG23 . ILE A1 1 49 ? -17.372 21.298 -23.826 1.0 53.42 ? 49 A 9 -ATOM 756 H HD11 . ILE A1 1 49 ? -19.18 19.58 -27.439 1.0 43.14 ? 49 A 9 -ATOM 757 H HD12 . ILE A1 1 49 ? -18.304 18.125 -27.911 1.0 61.33 ? 49 A 9 -ATOM 758 H HD13 . ILE A1 1 49 ? -18.936 18.281 -26.272 1.0 3.14 ? 49 A 9 -ATOM 759 N N . PHE A1 1 50 ? -14.329 20.089 -23.242 1.0 0.44 ? 50 A 9 -ATOM 760 C CA . PHE A1 1 50 ? -13.812 20.707 -22.026 1.0 63.4 ? 50 A 9 -ATOM 761 C C . PHE A1 1 50 ? -13.673 22.217 -22.2 1.0 34.31 ? 50 A 9 -ATOM 762 O O . PHE A1 1 50 ? -12.801 22.691 -22.927 1.0 24.03 ? 50 A 9 -ATOM 763 C CB . PHE A1 1 50 ? -12.459 20.098 -21.654 1.0 1.31 ? 50 A 9 -ATOM 764 C CG . PHE A1 1 50 ? -12.022 20.418 -20.254 1.0 63.44 ? 50 A 9 -ATOM 765 C CD1 . PHE A1 1 50 ? -12.494 19.68 -19.181 1.0 63.22 ? 50 A 9 -ATOM 766 C CD2 . PHE A1 1 50 ? -11.139 21.458 -20.01 1.0 31.12 ? 50 A 9 -ATOM 767 C CE1 . PHE A1 1 50 ? -12.094 19.973 -17.891 1.0 44.05 ? 50 A 9 -ATOM 768 C CE2 . PHE A1 1 50 ? -10.735 21.755 -18.722 1.0 53.14 ? 50 A 9 -ATOM 769 C CZ . PHE A1 1 50 ? -11.212 21.011 -17.661 1.0 64.24 ? 50 A 9 -ATOM 770 H H . PHE A1 1 50 ? -13.813 20.164 -24.073 1.0 32.43 ? 50 A 9 -ATOM 771 H HA . PHE A1 1 50 ? -14.516 20.512 -21.232 1.0 55.42 ? 50 A 9 -ATOM 772 H HB2 . PHE A1 1 50 ? -12.519 19.024 -21.745 1.0 72.21 ? 50 A 9 -ATOM 773 H HB3 . PHE A1 1 50 ? -11.706 20.471 -22.332 1.0 52.42 ? 50 A 9 -ATOM 774 H HD1 . PHE A1 1 50 ? -13.183 18.867 -19.358 1.0 64.41 ? 50 A 9 -ATOM 775 H HD2 . PHE A1 1 50 ? -10.764 22.04 -20.84 1.0 25.0 ? 50 A 9 -ATOM 776 H HE1 . PHE A1 1 50 ? -12.469 19.39 -17.063 1.0 33.34 ? 50 A 9 -ATOM 777 H HE2 . PHE A1 1 50 ? -10.045 22.568 -18.546 1.0 34.14 ? 50 A 9 -ATOM 778 H HZ . PHE A1 1 50 ? -10.899 21.243 -16.654 1.0 42.2 ? 50 A 9 -ATOM 779 N N . GLY A1 1 51 ? -14.54 22.967 -21.527 1.0 53.44 ? 51 A 9 -ATOM 780 C CA . GLY A1 1 51 ? -14.498 24.414 -21.62 1.0 33.5 ? 51 A 9 -ATOM 781 C C . GLY A1 1 51 ? -15.032 24.926 -22.943 1.0 34.32 ? 51 A 9 -ATOM 782 O O . GLY A1 1 51 ? -15.13 26.134 -23.156 1.0 0.02 ? 51 A 9 -ATOM 783 H H . GLY A1 1 51 ? -15.214 22.533 -20.962 1.0 14.34 ? 51 A 9 -ATOM 784 H HA2 . GLY A1 1 51 ? -15.089 24.833 -20.819 1.0 71.3 ? 51 A 9 -ATOM 785 H HA3 . GLY A1 1 51 ? -13.475 24.741 -21.508 1.0 2.33 ? 51 A 9 -ATOM 786 N N . GLY A1 1 52 ? -15.378 24.004 -23.837 1.0 51.33 ? 52 A 9 -ATOM 787 C CA . GLY A1 1 52 ? -15.899 24.388 -25.136 1.0 70.11 ? 52 A 9 -ATOM 788 C C . GLY A1 1 52 ? -15.202 23.67 -26.275 1.0 64.35 ? 52 A 9 -ATOM 789 O O . GLY A1 1 52 ? -15.769 23.509 -27.356 1.0 21.12 ? 52 A 9 -ATOM 790 H H . GLY A1 1 52 ? -15.278 23.055 -23.612 1.0 52.33 ? 52 A 9 -ATOM 791 H HA2 . GLY A1 1 52 ? -16.953 24.159 -25.17 1.0 34.31 ? 52 A 9 -ATOM 792 H HA3 . GLY A1 1 52 ? -15.767 25.452 -25.263 1.0 33.12 ? 52 A 9 -ATOM 793 N N . LYS A1 1 53 ? -13.969 23.237 -26.034 1.0 4.12 ? 53 A 9 -ATOM 794 C CA . LYS A1 1 53 ? -13.194 22.533 -27.048 1.0 20.15 ? 53 A 9 -ATOM 795 C C . LYS A1 1 53 ? -13.362 21.023 -26.909 1.0 12.34 ? 53 A 9 -ATOM 796 O O . LYS A1 1 53 ? -13.503 20.505 -25.802 1.0 53.3 ? 53 A 9 -ATOM 797 C CB . LYS A1 1 53 ? -11.713 22.904 -26.936 1.0 12.13 ? 53 A 9 -ATOM 798 C CG . LYS A1 1 53 ? -11.112 22.602 -25.574 1.0 34.42 ? 53 A 9 -ATOM 799 C CD . LYS A1 1 53 ? -10.483 21.219 -25.537 1.0 44.0 ? 53 A 9 -ATOM 800 C CE . LYS A1 1 53 ? -9.31 21.114 -26.499 1.0 75.53 ? 53 A 9 -ATOM 801 N NZ . LYS A1 1 53 ? -8.114 20.506 -25.851 1.0 61.53 ? 53 A 9 -ATOM 802 H H . LYS A1 1 53 ? -13.572 23.395 -25.152 1.0 32.12 ? 53 A 9 -ATOM 803 H HA . LYS A1 1 53 ? -13.56 22.836 -28.016 1.0 74.23 ? 53 A 9 -ATOM 804 H HB2 . LYS A1 1 53 ? -11.159 22.353 -27.681 1.0 34.02 ? 53 A 9 -ATOM 805 H HB3 . LYS A1 1 53 ? -11.604 23.962 -27.127 1.0 32.22 ? 53 A 9 -ATOM 806 H HG2 . LYS A1 1 53 ? -10.351 23.337 -25.355 1.0 24.24 ? 53 A 9 -ATOM 807 H HG3 . LYS A1 1 53 ? -11.891 22.654 -24.827 1.0 53.0 ? 53 A 9 -ATOM 808 H HD2 . LYS A1 1 53 ? -10.132 21.02 -24.535 1.0 22.42 ? 53 A 9 -ATOM 809 H HD3 . LYS A1 1 53 ? -11.229 20.487 -25.811 1.0 0.05 ? 53 A 9 -ATOM 810 H HE2 . LYS A1 1 53 ? -9.603 20.503 -27.338 1.0 25.2 ? 53 A 9 -ATOM 811 H HE3 . LYS A1 1 53 ? -9.056 22.105 -26.846 1.0 75.24 ? 53 A 9 -ATOM 812 H HZ1 . LYS A1 1 53 ? -7.288 20.589 -26.477 1.0 1.33 ? 53 A 9 -ATOM 813 H HZ2 . LYS A1 1 53 ? -8.288 19.5 -25.654 1.0 14.14 ? 53 A 9 -ATOM 814 H HZ3 . LYS A1 1 53 ? -7.908 20.992 -24.955 1.0 31.25 ? 53 A 9 -ATOM 815 N N . GLN A1 1 54 ? -13.343 20.324 -28.04 1.0 32.1 ? 54 A 9 -ATOM 816 C CA . GLN A1 1 54 ? -13.493 18.874 -28.043 1.0 3.14 ? 54 A 9 -ATOM 817 C C . GLN A1 1 54 ? -12.248 18.197 -27.48 1.0 14.5 ? 54 A 9 -ATOM 818 O O . GLN A1 1 54 ? -11.187 18.814 -27.373 1.0 22.04 ? 54 A 9 -ATOM 819 C CB . GLN A1 1 54 ? -13.763 18.371 -29.463 1.0 14.03 ? 54 A 9 -ATOM 820 C CG . GLN A1 1 54 ? -15.232 18.092 -29.74 1.0 52.41 ? 54 A 9 -ATOM 821 C CD . GLN A1 1 54 ? -15.837 19.073 -30.724 1.0 44.23 ? 54 A 9 -ATOM 822 O OE1 . GLN A1 1 54 ? -16.302 18.687 -31.797 1.0 25.33 ? 54 A 9 -ATOM 823 N NE2 . GLN A1 1 54 ? -15.834 20.351 -30.364 1.0 63.1 ? 54 A 9 -ATOM 824 H H . GLN A1 1 54 ? -13.227 20.795 -28.891 1.0 52.11 ? 54 A 9 -ATOM 825 H HA . GLN A1 1 54 ? -14.337 18.626 -27.417 1.0 62.04 ? 54 A 9 -ATOM 826 H HB2 . GLN A1 1 54 ? -13.421 19.115 -30.166 1.0 31.24 ? 54 A 9 -ATOM 827 H HB3 . GLN A1 1 54 ? -13.21 17.457 -29.619 1.0 25.42 ? 54 A 9 -ATOM 828 H HG2 . GLN A1 1 54 ? -15.326 17.096 -30.145 1.0 52.11 ? 54 A 9 -ATOM 829 H HG3 . GLN A1 1 54 ? -15.778 18.154 -28.81 1.0 53.52 ? 54 A 9 -ATOM 830 H HE21 . GLN A1 1 54 ? -15.445 20.586 -29.495 1.0 45.55 ? 54 A 9 -ATOM 831 H HE22 . GLN A1 1 54 ? -16.218 21.007 -30.981 1.0 62.42 ? 54 A 9 -ATOM 832 N N . LEU A1 1 55 ? -12.384 16.925 -27.121 1.0 51.34 ? 55 A 9 -ATOM 833 C CA . LEU A1 1 55 ? -11.269 16.163 -26.567 1.0 40.45 ? 55 A 9 -ATOM 834 C C . LEU A1 1 55 ? -10.938 14.965 -27.45 1.0 63.5 ? 55 A 9 -ATOM 835 O O . LEU A1 1 55 ? -11.812 14.164 -27.781 1.0 52.11 ? 55 A 9 -ATOM 836 C CB . LEU A1 1 55 ? -11.602 15.691 -25.151 1.0 25.03 ? 55 A 9 -ATOM 837 C CG . LEU A1 1 55 ? -12.194 16.744 -24.214 1.0 41.33 ? 55 A 9 -ATOM 838 C CD1 . LEU A1 1 55 ? -12.34 16.186 -22.807 1.0 33.24 ? 55 A 9 -ATOM 839 C CD2 . LEU A1 1 55 ? -11.33 17.997 -24.206 1.0 52.23 ? 55 A 9 -ATOM 840 H H . LEU A1 1 55 ? -13.253 16.487 -27.229 1.0 12.34 ? 55 A 9 -ATOM 841 H HA . LEU A1 1 55 ? -10.409 16.815 -26.528 1.0 22.21 ? 55 A 9 -ATOM 842 H HB2 . LEU A1 1 55 ? -12.312 14.883 -25.23 1.0 55.1 ? 55 A 9 -ATOM 843 H HB3 . LEU A1 1 55 ? -10.689 15.324 -24.703 1.0 51.11 ? 55 A 9 -ATOM 844 H HG . LEU A1 1 55 ? -13.179 17.019 -24.568 1.0 72.12 ? 55 A 9 -ATOM 845 H HD11 . LEU A1 1 55 ? -11.632 15.384 -22.663 1.0 32.04 ? 55 A 9 -ATOM 846 H HD12 . LEU A1 1 55 ? -13.343 15.809 -22.672 1.0 44.35 ? 55 A 9 -ATOM 847 H HD13 . LEU A1 1 55 ? -12.15 16.969 -22.088 1.0 32.21 ? 55 A 9 -ATOM 848 H HD21 . LEU A1 1 55 ? -10.351 17.762 -24.595 1.0 33.14 ? 55 A 9 -ATOM 849 H HD22 . LEU A1 1 55 ? -11.238 18.363 -23.194 1.0 72.01 ? 55 A 9 -ATOM 850 H HD23 . LEU A1 1 55 ? -11.791 18.756 -24.822 1.0 74.33 ? 55 A 9 -ATOM 851 N N . GLU A1 1 56 ? -9.668 14.847 -27.827 1.0 12.02 ? 56 A 9 -ATOM 852 C CA . GLU A1 1 56 ? -9.221 13.744 -28.671 1.0 31.33 ? 56 A 9 -ATOM 853 C C . GLU A1 1 56 ? -9.236 12.428 -27.899 1.0 62.51 ? 56 A 9 -ATOM 854 O O . GLU A1 1 56 ? -9.697 12.37 -26.759 1.0 51.02 ? 56 A 9 -ATOM 855 C CB . GLU A1 1 56 ? -7.814 14.02 -29.205 1.0 62.01 ? 56 A 9 -ATOM 856 C CG . GLU A1 1 56 ? -6.805 14.35 -28.119 1.0 21.02 ? 56 A 9 -ATOM 857 C CD . GLU A1 1 56 ? -5.451 13.713 -28.367 1.0 1.0 ? 56 A 9 -ATOM 858 O OE1 . GLU A1 1 56 ? -5.416 12.571 -28.87 1.0 61.34 ? 56 A 9 -ATOM 859 O OE2 . GLU A1 1 56 ? -4.427 14.358 -28.059 1.0 22.01 ? 56 A 9 -ATOM 860 H H . GLU A1 1 56 ? -9.017 15.517 -27.532 1.0 72.43 ? 56 A 9 -ATOM 861 H HA . GLU A1 1 56 ? -9.904 13.667 -29.504 1.0 4.21 ? 56 A 9 -ATOM 862 H HB2 . GLU A1 1 56 ? -7.467 13.146 -29.738 1.0 41.11 ? 56 A 9 -ATOM 863 H HB3 . GLU A1 1 56 ? -7.86 14.853 -29.891 1.0 51.02 ? 56 A 9 -ATOM 864 H HG2 . GLU A1 1 56 ? -6.678 15.422 -28.077 1.0 71.31 ? 56 A 9 -ATOM 865 H HG3 . GLU A1 1 56 ? -7.185 13.996 -27.172 1.0 60.44 ? 56 A 9 -ATOM 866 N N . ASP A1 1 57 ? -8.728 11.374 -28.529 1.0 71.03 ? 57 A 9 -ATOM 867 C CA . ASP A1 1 57 ? -8.682 10.058 -27.902 1.0 63.41 ? 57 A 9 -ATOM 868 C C . ASP A1 1 57 ? -7.6 10.006 -26.828 1.0 21.4 ? 57 A 9 -ATOM 869 O O . ASP A1 1 57 ? -7.6 9.118 -25.975 1.0 43.31 ? 57 A 9 -ATOM 870 C CB . ASP A1 1 57 ? -8.427 8.978 -28.954 1.0 45.31 ? 57 A 9 -ATOM 871 C CG . ASP A1 1 57 ? -7.329 9.364 -29.926 1.0 55.43 ? 57 A 9 -ATOM 872 O OD1 . ASP A1 1 57 ? -6.201 9.641 -29.468 1.0 72.35 ? 57 A 9 -ATOM 873 O OD2 . ASP A1 1 57 ? -7.599 9.39 -31.145 1.0 15.11 ? 57 A 9 -ATOM 874 H H . ASP A1 1 57 ? -8.376 11.484 -29.437 1.0 23.12 ? 57 A 9 -ATOM 875 H HA . ASP A1 1 57 ? -9.64 9.878 -27.439 1.0 62.14 ? 57 A 9 -ATOM 876 H HB2 . ASP A1 1 57 ? -8.136 8.063 -28.458 1.0 24.44 ? 57 A 9 -ATOM 877 H HB3 . ASP A1 1 57 ? -9.335 8.807 -29.513 1.0 64.03 ? 57 A 9 -ATOM 878 N N . SER A1 1 58 ? -6.678 10.962 -26.877 1.0 32.51 ? 58 A 9 -ATOM 879 C CA . SER A1 1 58 ? -5.587 11.022 -25.911 1.0 62.24 ? 58 A 9 -ATOM 880 C C . SER A1 1 58 ? -5.769 12.2 -24.958 1.0 2.12 ? 58 A 9 -ATOM 881 O O . SER A1 1 58 ? -4.897 12.492 -24.141 1.0 12.21 ? 58 A 9 -ATOM 882 C CB . SER A1 1 58 ? -4.244 11.139 -26.634 1.0 65.11 ? 58 A 9 -ATOM 883 O OG . SER A1 1 58 ? -3.174 10.759 -25.786 1.0 34.21 ? 58 A 9 -ATOM 884 H H . SER A1 1 58 ? -6.731 11.642 -27.581 1.0 21.03 ? 58 A 9 -ATOM 885 H HA . SER A1 1 58 ? -5.6 10.106 -25.339 1.0 33.55 ? 58 A 9 -ATOM 886 H HB2 . SER A1 1 58 ? -4.247 10.496 -27.5 1.0 31.42 ? 58 A 9 -ATOM 887 H HB3 . SER A1 1 58 ? -4.094 12.163 -26.946 1.0 40.4 ? 58 A 9 -ATOM 888 H HG . SER A1 1 58 ? -2.813 9.92 -26.083 1.0 10.23 ? 58 A 9 -ATOM 889 N N . ASN A1 1 59 ? -6.909 12.873 -25.071 1.0 35.41 ? 59 A 9 -ATOM 890 C CA . ASN A1 1 59 ? -7.207 14.02 -24.22 1.0 52.34 ? 59 A 9 -ATOM 891 C C . ASN A1 1 59 ? -7.942 13.584 -22.957 1.0 4.01 ? 59 A 9 -ATOM 892 O O . ASN A1 1 59 ? -9.15 13.784 -22.829 1.0 42.21 ? 59 A 9 -ATOM 893 C CB . ASN A1 1 59 ? -8.048 15.044 -24.986 1.0 21.1 ? 59 A 9 -ATOM 894 C CG . ASN A1 1 59 ? -7.201 16.134 -25.613 1.0 14.54 ? 59 A 9 -ATOM 895 O OD1 . ASN A1 1 59 ? -6.008 15.947 -25.856 1.0 24.42 ? 59 A 9 -ATOM 896 N ND2 . ASN A1 1 59 ? -7.815 17.282 -25.878 1.0 14.44 ? 59 A 9 -ATOM 897 H H . ASN A1 1 59 ? -7.566 12.592 -25.742 1.0 5.51 ? 59 A 9 -ATOM 898 H HA . ASN A1 1 59 ? -6.27 14.476 -23.939 1.0 74.51 ? 59 A 9 -ATOM 899 H HB2 . ASN A1 1 59 ? -8.59 14.54 -25.772 1.0 43.43 ? 59 A 9 -ATOM 900 H HB3 . ASN A1 1 59 ? -8.75 15.504 -24.307 1.0 11.21 ? 59 A 9 -ATOM 901 H HD21 . ASN A1 1 59 ? -8.766 17.36 -25.657 1.0 21.33 ? 59 A 9 -ATOM 902 H HD22 . ASN A1 1 59 ? -7.291 18.003 -26.284 1.0 12.0 ? 59 A 9 -ATOM 903 N N . ALA A1 1 60 ? -7.205 12.988 -22.025 1.0 13.11 ? 60 A 9 -ATOM 904 C CA . ALA A1 1 60 ? -7.786 12.527 -20.771 1.0 35.51 ? 60 A 9 -ATOM 905 C C . ALA A1 1 60 ? -6.703 12.074 -19.798 1.0 74.01 ? 60 A 9 -ATOM 906 O O . ALA A1 1 60 ? -6.297 12.826 -18.913 1.0 74.24 ? 60 A 9 -ATOM 907 C CB . ALA A1 1 60 ? -8.771 11.396 -21.03 1.0 64.13 ? 60 A 9 -ATOM 908 H H . ALA A1 1 60 ? -6.247 12.858 -22.185 1.0 31.12 ? 60 A 9 -ATOM 909 H HA . ALA A1 1 60 ? -8.329 13.351 -20.331 1.0 20.01 ? 60 A 9 -ATOM 910 H HB1 . ALA A1 1 60 ? -9.177 11.051 -20.09 1.0 72.33 ? 60 A 9 -ATOM 911 H HB2 . ALA A1 1 60 ? -9.573 11.755 -21.658 1.0 25.02 ? 60 A 9 -ATOM 912 H HB3 . ALA A1 1 60 ? -8.263 10.582 -21.524 1.0 51.02 ? 60 A 9 -ATOM 913 N N . MET A1 1 61 ? -6.24 10.84 -19.968 1.0 21.52 ? 61 A 9 -ATOM 914 C CA . MET A1 1 61 ? -5.203 10.288 -19.104 1.0 32.03 ? 61 A 9 -ATOM 915 C C . MET A1 1 61 ? -3.826 10.805 -19.508 1.0 55.14 ? 61 A 9 -ATOM 916 O O . MET A1 1 61 ? -3.1 11.37 -18.69 1.0 73.23 ? 61 A 9 -ATOM 917 C CB . MET A1 1 61 ? -5.222 8.759 -19.16 1.0 33.12 ? 61 A 9 -ATOM 918 C CG . MET A1 1 61 ? -6.621 8.172 -19.255 1.0 10.31 ? 61 A 9 -ATOM 919 S SD . MET A1 1 61 ? -7.746 8.856 -18.022 1.0 3.45 ? 61 A 9 -ATOM 920 C CE . MET A1 1 61 ? -9.306 8.761 -18.897 1.0 11.34 ? 61 A 9 -ATOM 921 H H . MET A1 1 61 ? -6.603 10.287 -20.691 1.0 44.35 ? 61 A 9 -ATOM 922 H HA . MET A1 1 61 ? -5.411 10.604 -18.093 1.0 14.21 ? 61 A 9 -ATOM 923 H HB2 . MET A1 1 61 ? -4.66 8.435 -20.023 1.0 14.23 ? 61 A 9 -ATOM 924 H HB3 . MET A1 1 61 ? -4.753 8.371 -18.269 1.0 0.24 ? 61 A 9 -ATOM 925 H HG2 . MET A1 1 61 ? -7.019 8.379 -20.237 1.0 62.14 ? 61 A 9 -ATOM 926 H HG3 . MET A1 1 61 ? -6.559 7.104 -19.112 1.0 32.0 ? 61 A 9 -ATOM 927 H HE1 . MET A1 1 61 ? -9.85 7.887 -18.567 1.0 54.23 ? 61 A 9 -ATOM 928 H HE2 . MET A1 1 61 ? -9.888 9.646 -18.692 1.0 64.31 ? 61 A 9 -ATOM 929 H HE3 . MET A1 1 61 ? -9.119 8.69 -19.958 1.0 24.11 ? 61 A 9 -ATOM 930 N N . SER A1 1 62 ? -3.473 10.609 -20.775 1.0 73.15 ? 62 A 9 -ATOM 931 C CA . SER A1 1 62 ? -2.182 11.053 -21.286 1.0 12.22 ? 62 A 9 -ATOM 932 C C . SER A1 1 62 ? -2.007 12.556 -21.09 1.0 13.52 ? 62 A 9 -ATOM 933 O O . SER A1 1 62 ? -0.896 13.039 -20.867 1.0 42.51 ? 62 A 9 -ATOM 934 C CB . SER A1 1 62 ? -2.049 10.702 -22.769 1.0 62.33 ? 62 A 9 -ATOM 935 O OG . SER A1 1 62 ? -0.721 10.319 -23.085 1.0 14.13 ? 62 A 9 -ATOM 936 H H . SER A1 1 62 ? -4.096 10.153 -21.379 1.0 74.25 ? 62 A 9 -ATOM 937 H HA . SER A1 1 62 ? -1.411 10.537 -20.732 1.0 74.15 ? 62 A 9 -ATOM 938 H HB2 . SER A1 1 62 ? -2.712 9.883 -23.003 1.0 54.41 ? 62 A 9 -ATOM 939 H HB3 . SER A1 1 62 ? -2.315 11.563 -23.365 1.0 23.45 ? 62 A 9 -ATOM 940 H HG . SER A1 1 62 ? -0.588 9.399 -22.848 1.0 1.23 ? 62 A 9 -ATOM 941 N N . ASP A1 1 63 ? -3.111 13.289 -21.174 1.0 34.33 ? 63 A 9 -ATOM 942 C CA . ASP A1 1 63 ? -3.082 14.737 -21.005 1.0 10.21 ? 63 A 9 -ATOM 943 C C . ASP A1 1 63 ? -2.595 15.112 -19.608 1.0 63.54 ? 63 A 9 -ATOM 944 O O . ASP A1 1 63 ? -2.068 16.204 -19.396 1.0 31.33 ? 63 A 9 -ATOM 945 C CB . ASP A1 1 63 ? -4.471 15.329 -21.249 1.0 21.1 ? 63 A 9 -ATOM 946 C CG . ASP A1 1 63 ? -4.418 16.799 -21.616 1.0 12.2 ? 63 A 9 -ATOM 947 O OD1 . ASP A1 1 63 ? -4.04 17.614 -20.748 1.0 53.24 ? 63 A 9 -ATOM 948 O OD2 . ASP A1 1 63 ? -4.753 17.134 -22.771 1.0 3.13 ? 63 A 9 -ATOM 949 H H . ASP A1 1 63 ? -3.967 12.846 -21.353 1.0 14.4 ? 63 A 9 -ATOM 950 H HA . ASP A1 1 63 ? -2.395 15.143 -21.732 1.0 72.42 ? 63 A 9 -ATOM 951 H HB2 . ASP A1 1 63 ? -4.946 14.793 -22.058 1.0 63.34 ? 63 A 9 -ATOM 952 H HB3 . ASP A1 1 63 ? -5.064 15.221 -20.353 1.0 44.51 ? 63 A 9 -ATOM 953 N N . TYR A1 1 64 ? -2.775 14.199 -18.66 1.0 43.15 ? 64 A 9 -ATOM 954 C CA . TYR A1 1 64 ? -2.357 14.435 -17.283 1.0 74.44 ? 64 A 9 -ATOM 955 C C . TYR A1 1 64 ? -3.354 15.332 -16.557 1.0 35.31 ? 64 A 9 -ATOM 956 O O . TYR A1 1 64 ? -3.026 15.952 -15.546 1.0 63.11 ? 64 A 9 -ATOM 957 C CB . TYR A1 1 64 ? -0.965 15.069 -17.252 1.0 41.31 ? 64 A 9 -ATOM 958 C CG . TYR A1 1 64 ? -0.188 14.763 -15.992 1.0 35.31 ? 64 A 9 -ATOM 959 C CD1 . TYR A1 1 64 ? 0.232 13.47 -15.708 1.0 10.21 ? 64 A 9 -ATOM 960 C CD2 . TYR A1 1 64 ? 0.126 15.768 -15.085 1.0 61.0 ? 64 A 9 -ATOM 961 C CE1 . TYR A1 1 64 ? 0.942 13.186 -14.557 1.0 31.32 ? 64 A 9 -ATOM 962 C CE2 . TYR A1 1 64 ? 0.836 15.494 -13.932 1.0 3.01 ? 64 A 9 -ATOM 963 C CZ . TYR A1 1 64 ? 1.241 14.201 -13.673 1.0 35.43 ? 64 A 9 -ATOM 964 O OH . TYR A1 1 64 ? 1.949 13.922 -12.526 1.0 23.32 ? 64 A 9 -ATOM 965 H H . TYR A1 1 64 ? -3.2 13.347 -18.891 1.0 10.22 ? 64 A 9 -ATOM 966 H HA . TYR A1 1 64 ? -2.317 13.479 -16.781 1.0 40.51 ? 64 A 9 -ATOM 967 H HB2 . TYR A1 1 64 ? -0.392 14.705 -18.091 1.0 75.32 ? 64 A 9 -ATOM 968 H HB3 . TYR A1 1 64 ? -1.065 16.142 -17.329 1.0 32.34 ? 64 A 9 -ATOM 969 H HD1 . TYR A1 1 64 ? -0.004 12.677 -16.403 1.0 1.35 ? 64 A 9 -ATOM 970 H HD2 . TYR A1 1 64 ? -0.193 16.78 -15.291 1.0 32.41 ? 64 A 9 -ATOM 971 H HE1 . TYR A1 1 64 ? 1.259 12.174 -14.354 1.0 52.21 ? 64 A 9 -ATOM 972 H HE2 . TYR A1 1 64 ? 1.071 16.288 -13.239 1.0 43.14 ? 64 A 9 -ATOM 973 H HH . TYR A1 1 64 ? 1.492 13.242 -12.025 1.0 23.33 ? 64 A 9 -ATOM 974 N N . ASN A1 1 65 ? -4.573 15.397 -17.082 1.0 61.21 ? 65 A 9 -ATOM 975 C CA . ASN A1 1 65 ? -5.62 16.218 -16.485 1.0 70.22 ? 65 A 9 -ATOM 976 C C . ASN A1 1 65 ? -6.684 15.347 -15.824 1.0 21.44 ? 65 A 9 -ATOM 977 O O . ASN A1 1 65 ? -7.76 15.827 -15.466 1.0 22.24 ? 65 A 9 -ATOM 978 C CB . ASN A1 1 65 ? -6.264 17.112 -17.547 1.0 30.31 ? 65 A 9 -ATOM 979 C CG . ASN A1 1 65 ? -7.143 18.189 -16.94 1.0 75.23 ? 65 A 9 -ATOM 980 O OD1 . ASN A1 1 65 ? -6.845 18.718 -15.87 1.0 74.2 ? 65 A 9 -ATOM 981 N ND2 . ASN A1 1 65 ? -8.233 18.517 -17.624 1.0 12.4 ? 65 A 9 -ATOM 982 H H . ASN A1 1 65 ? -4.774 14.88 -17.89 1.0 72.01 ? 65 A 9 -ATOM 983 H HA . ASN A1 1 65 ? -5.163 16.841 -15.731 1.0 43.44 ? 65 A 9 -ATOM 984 H HB2 . ASN A1 1 65 ? -5.487 17.592 -18.124 1.0 12.24 ? 65 A 9 -ATOM 985 H HB3 . ASN A1 1 65 ? -6.87 16.504 -18.201 1.0 73.02 ? 65 A 9 -ATOM 986 H HD21 . ASN A1 1 65 ? -8.406 18.053 -18.47 1.0 23.44 ? 65 A 9 -ATOM 987 H HD22 . ASN A1 1 65 ? -8.818 19.211 -17.256 1.0 32.24 ? 65 A 9 -ATOM 988 N N . VAL A1 1 66 ? -6.376 14.064 -15.664 1.0 11.4 ? 66 A 9 -ATOM 989 C CA . VAL A1 1 66 ? -7.304 13.126 -15.044 1.0 70.45 ? 66 A 9 -ATOM 990 C C . VAL A1 1 66 ? -7.179 13.152 -13.525 1.0 73.11 ? 66 A 9 -ATOM 991 O O . VAL A1 1 66 ? -6.103 12.915 -12.977 1.0 33.12 ? 66 A 9 -ATOM 992 C CB . VAL A1 1 66 ? -7.066 11.689 -15.543 1.0 40.11 ? 66 A 9 -ATOM 993 C CG1 . VAL A1 1 66 ? -5.643 11.246 -15.236 1.0 32.21 ? 66 A 9 -ATOM 994 C CG2 . VAL A1 1 66 ? -8.075 10.735 -14.921 1.0 25.13 ? 66 A 9 -ATOM 995 H H . VAL A1 1 66 ? -5.502 13.741 -15.969 1.0 25.31 ? 66 A 9 -ATOM 996 H HA . VAL A1 1 66 ? -8.307 13.419 -15.318 1.0 44.24 ? 66 A 9 -ATOM 997 H HB . VAL A1 1 66 ? -7.201 11.674 -16.614 1.0 65.05 ? 66 A 9 -ATOM 998 H HG11 . VAL A1 1 66 ? -5.664 10.456 -14.499 1.0 62.5 ? 66 A 9 -ATOM 999 H HG12 . VAL A1 1 66 ? -5.176 10.884 -16.14 1.0 4.5 ? 66 A 9 -ATOM 1000 H HG13 . VAL A1 1 66 ? -5.081 12.083 -14.85 1.0 12.32 ? 66 A 9 -ATOM 1001 H HG21 . VAL A1 1 66 ? -8.068 10.852 -13.848 1.0 23.4 ? 66 A 9 -ATOM 1002 H HG22 . VAL A1 1 66 ? -9.061 10.959 -15.302 1.0 64.2 ? 66 A 9 -ATOM 1003 H HG23 . VAL A1 1 66 ? -7.814 9.718 -15.175 1.0 74.31 ? 66 A 9 -ATOM 1004 N N . GLN A1 1 67 ? -8.288 13.442 -12.851 1.0 5.43 ? 67 A 9 -ATOM 1005 C CA . GLN A1 1 67 ? -8.302 13.499 -11.394 1.0 15.5 ? 67 A 9 -ATOM 1006 C C . GLN A1 1 67 ? -9.326 12.525 -10.821 1.0 62.54 ? 67 A 9 -ATOM 1007 O O . GLN A1 1 67 ? -9.976 11.784 -11.559 1.0 44.01 ? 67 A 9 -ATOM 1008 C CB . GLN A1 1 67 ? -8.613 14.92 -10.921 1.0 35.11 ? 67 A 9 -ATOM 1009 C CG . GLN A1 1 67 ? -10.002 15.4 -11.31 1.0 11.21 ? 67 A 9 -ATOM 1010 C CD . GLN A1 1 67 ? -10.439 16.621 -10.524 1.0 34.44 ? 67 A 9 -ATOM 1011 O OE1 . GLN A1 1 67 ? -10.642 17.697 -11.088 1.0 41.54 ? 67 A 9 -ATOM 1012 N NE2 . GLN A1 1 67 ? -10.585 16.461 -9.214 1.0 50.51 ? 67 A 9 -ATOM 1013 H H . GLN A1 1 67 ? -9.114 13.621 -13.344 1.0 54.23 ? 67 A 9 -ATOM 1014 H HA . GLN A1 1 67 ? -7.321 13.219 -11.041 1.0 21.13 ? 67 A 9 -ATOM 1015 H HB2 . GLN A1 1 67 ? -8.531 14.955 -9.845 1.0 61.05 ? 67 A 9 -ATOM 1016 H HB3 . GLN A1 1 67 ? -7.889 15.596 -11.351 1.0 21.05 ? 67 A 9 -ATOM 1017 H HG2 . GLN A1 1 67 ? -10.002 15.649 -12.361 1.0 63.24 ? 67 A 9 -ATOM 1018 H HG3 . GLN A1 1 67 ? -10.708 14.603 -11.13 1.0 63.02 ? 67 A 9 -ATOM 1019 H HE21 . GLN A1 1 67 ? -10.405 15.576 -8.833 1.0 0.12 ? 67 A 9 -ATOM 1020 H HE22 . GLN A1 1 67 ? -10.866 17.234 -8.682 1.0 72.41 ? 67 A 9 -ATOM 1021 N N . LYS A1 1 68 ? -9.465 12.529 -9.499 1.0 63.33 ? 68 A 9 -ATOM 1022 C CA . LYS A1 1 68 ? -10.41 11.647 -8.826 1.0 34.0 ? 68 A 9 -ATOM 1023 C C . LYS A1 1 68 ? -11.847 12.013 -9.184 1.0 33.21 ? 68 A 9 -ATOM 1024 O O . LYS A1 1 68 ? -12.726 11.152 -9.217 1.0 33.01 ? 68 A 9 -ATOM 1025 C CB . LYS A1 1 68 ? -10.217 11.721 -7.309 1.0 41.41 ? 68 A 9 -ATOM 1026 C CG . LYS A1 1 68 ? -10.817 10.543 -6.561 1.0 61.44 ? 68 A 9 -ATOM 1027 C CD . LYS A1 1 68 ? -10.066 9.255 -6.855 1.0 43.41 ? 68 A 9 -ATOM 1028 C CE . LYS A1 1 68 ? -8.825 9.123 -5.987 1.0 23.43 ? 68 A 9 -ATOM 1029 N NZ . LYS A1 1 68 ? -9.163 9.09 -4.537 1.0 52.05 ? 68 A 9 -ATOM 1030 H H . LYS A1 1 68 ? -8.918 13.142 -8.964 1.0 75.53 ? 68 A 9 -ATOM 1031 H HA . LYS A1 1 68 ? -10.215 10.638 -9.156 1.0 31.4 ? 68 A 9 -ATOM 1032 H HB2 . LYS A1 1 68 ? -9.159 11.756 -7.094 1.0 51.5 ? 68 A 9 -ATOM 1033 H HB3 . LYS A1 1 68 ? -10.68 12.626 -6.944 1.0 62.4 ? 68 A 9 -ATOM 1034 H HG2 . LYS A1 1 68 ? -10.77 10.74 -5.501 1.0 22.33 ? 68 A 9 -ATOM 1035 H HG3 . LYS A1 1 68 ? -11.848 10.425 -6.862 1.0 45.02 ? 68 A 9 -ATOM 1036 H HD2 . LYS A1 1 68 ? -10.718 8.416 -6.661 1.0 14.2 ? 68 A 9 -ATOM 1037 H HD3 . LYS A1 1 68 ? -9.77 9.251 -7.895 1.0 13.53 ? 68 A 9 -ATOM 1038 H HE2 . LYS A1 1 68 ? -8.313 8.21 -6.249 1.0 43.13 ? 68 A 9 -ATOM 1039 H HE3 . LYS A1 1 68 ? -8.177 9.966 -6.177 1.0 63.42 ? 68 A 9 -ATOM 1040 H HZ1 . LYS A1 1 68 ? -8.446 8.547 -4.015 1.0 1.54 ? 68 A 9 -ATOM 1041 H HZ2 . LYS A1 1 68 ? -10.091 8.642 -4.397 1.0 73.32 ? 68 A 9 -ATOM 1042 H HZ3 . LYS A1 1 68 ? -9.197 10.056 -4.155 1.0 23.44 ? 68 A 9 -ATOM 1043 N N . GLU A1 1 69 ? -12.076 13.294 -9.455 1.0 51.1 ? 69 A 9 -ATOM 1044 C CA . GLU A1 1 69 ? -13.407 13.772 -9.812 1.0 15.41 ? 69 A 9 -ATOM 1045 C C . GLU A1 1 69 ? -13.322 14.921 -10.812 1.0 20.25 ? 69 A 9 -ATOM 1046 O O . GLU A1 1 69 ? -13.444 16.089 -10.444 1.0 55.15 ? 69 A 9 -ATOM 1047 C CB . GLU A1 1 69 ? -14.163 14.224 -8.561 1.0 42.14 ? 69 A 9 -ATOM 1048 C CG . GLU A1 1 69 ? -13.333 15.088 -7.627 1.0 32.44 ? 69 A 9 -ATOM 1049 C CD . GLU A1 1 69 ? -14.186 15.95 -6.717 1.0 60.3 ? 69 A 9 -ATOM 1050 O OE1 . GLU A1 1 69 ? -14.659 15.434 -5.682 1.0 52.11 ? 69 A 9 -ATOM 1051 O OE2 . GLU A1 1 69 ? -14.38 17.141 -7.039 1.0 33.22 ? 69 A 9 -ATOM 1052 H H . GLU A1 1 69 ? -11.334 13.932 -9.412 1.0 51.55 ? 69 A 9 -ATOM 1053 H HA . GLU A1 1 69 ? -13.942 12.953 -10.268 1.0 21.13 ? 69 A 9 -ATOM 1054 H HB2 . GLU A1 1 69 ? -15.032 14.79 -8.865 1.0 70.35 ? 69 A 9 -ATOM 1055 H HB3 . GLU A1 1 69 ? -14.488 13.35 -8.016 1.0 25.14 ? 69 A 9 -ATOM 1056 H HG2 . GLU A1 1 69 ? -12.717 14.445 -7.015 1.0 60.54 ? 69 A 9 -ATOM 1057 H HG3 . GLU A1 1 69 ? -12.7 15.732 -8.22 1.0 2.43 ? 69 A 9 -ATOM 1058 N N . SER A1 1 70 ? -13.111 14.58 -12.08 1.0 51.41 ? 70 A 9 -ATOM 1059 C CA . SER A1 1 70 ? -13.005 15.583 -13.133 1.0 50.24 ? 70 A 9 -ATOM 1060 C C . SER A1 1 70 ? -14.359 15.82 -13.796 1.0 72.1 ? 70 A 9 -ATOM 1061 O O . SER A1 1 70 ? -15.014 14.882 -14.251 1.0 13.02 ? 70 A 9 -ATOM 1062 C CB . SER A1 1 70 ? -11.981 15.145 -14.182 1.0 75.43 ? 70 A 9 -ATOM 1063 O OG . SER A1 1 70 ? -11.057 16.184 -14.458 1.0 45.33 ? 70 A 9 -ATOM 1064 H H . SER A1 1 70 ? -13.023 13.632 -12.311 1.0 42.55 ? 70 A 9 -ATOM 1065 H HA . SER A1 1 70 ? -12.672 16.505 -12.681 1.0 61.25 ? 70 A 9 -ATOM 1066 H HB2 . SER A1 1 70 ? -11.44 14.286 -13.816 1.0 1.23 ? 70 A 9 -ATOM 1067 H HB3 . SER A1 1 70 ? -12.495 14.884 -15.096 1.0 50.33 ? 70 A 9 -ATOM 1068 H HG . SER A1 1 70 ? -11.053 16.367 -15.4 1.0 14.24 ? 70 A 9 -ATOM 1069 N N . THR A1 1 71 ? -14.773 17.083 -13.846 1.0 52.55 ? 71 A 9 -ATOM 1070 C CA . THR A1 1 71 ? -16.048 17.445 -14.451 1.0 43.33 ? 71 A 9 -ATOM 1071 C C . THR A1 1 71 ? -15.871 17.841 -15.912 1.0 63.44 ? 71 A 9 -ATOM 1072 O O . THR A1 1 71 ? -15.23 18.847 -16.22 1.0 13.52 ? 71 A 9 -ATOM 1073 C CB . THR A1 1 71 ? -16.719 18.607 -13.694 1.0 4.41 ? 71 A 9 -ATOM 1074 O OG1 . THR A1 1 71 ? -15.726 19.529 -13.233 1.0 4.41 ? 71 A 9 -ATOM 1075 C CG2 . THR A1 1 71 ? -17.525 18.088 -12.512 1.0 4.35 ? 71 A 9 -ATOM 1076 H H . THR A1 1 71 ? -14.206 17.786 -13.466 1.0 14.04 ? 71 A 9 -ATOM 1077 H HA . THR A1 1 71 ? -16.699 16.584 -14.398 1.0 24.13 ? 71 A 9 -ATOM 1078 H HB . THR A1 1 71 ? -17.389 19.118 -14.37 1.0 70.41 ? 71 A 9 -ATOM 1079 H HG1 . THR A1 1 71 ? -16.147 20.22 -12.715 1.0 53.11 ? 71 A 9 -ATOM 1080 H HG21 . THR A1 1 71 ? -18.522 17.837 -12.839 1.0 12.42 ? 71 A 9 -ATOM 1081 H HG22 . THR A1 1 71 ? -17.579 18.852 -11.75 1.0 75.2 ? 71 A 9 -ATOM 1082 H HG23 . THR A1 1 71 ? -17.046 17.209 -12.108 1.0 31.12 ? 71 A 9 -ATOM 1083 N N . LEU A1 1 72 ? -16.442 17.045 -16.81 1.0 74.32 ? 72 A 9 -ATOM 1084 C CA . LEU A1 1 72 ? -16.348 17.314 -18.24 1.0 62.12 ? 72 A 9 -ATOM 1085 C C . LEU A1 1 72 ? -17.729 17.308 -18.888 1.0 14.1 ? 72 A 9 -ATOM 1086 O O . LEU A1 1 72 ? -18.652 16.655 -18.4 1.0 22.33 ? 72 A 9 -ATOM 1087 C CB . LEU A1 1 72 ? -15.451 16.275 -18.916 1.0 54.24 ? 72 A 9 -ATOM 1088 C CG . LEU A1 1 72 ? -16.164 15.065 -19.521 1.0 12.34 ? 72 A 9 -ATOM 1089 C CD1 . LEU A1 1 72 ? -16.349 15.248 -21.019 1.0 71.53 ? 72 A 9 -ATOM 1090 C CD2 . LEU A1 1 72 ? -15.387 13.789 -19.23 1.0 45.31 ? 72 A 9 -ATOM 1091 H H . LEU A1 1 72 ? -16.939 16.259 -16.504 1.0 40.44 ? 72 A 9 -ATOM 1092 H HA . LEU A1 1 72 ? -15.909 18.292 -18.365 1.0 22.23 ? 72 A 9 -ATOM 1093 H HB2 . LEU A1 1 72 ? -14.91 16.77 -19.708 1.0 24.33 ? 72 A 9 -ATOM 1094 H HB3 . LEU A1 1 72 ? -14.751 15.913 -18.177 1.0 64.44 ? 72 A 9 -ATOM 1095 H HG . LEU A1 1 72 ? -17.143 14.971 -19.073 1.0 60.22 ? 72 A 9 -ATOM 1096 H HD11 . LEU A1 1 72 ? -15.388 15.407 -21.484 1.0 22.12 ? 72 A 9 -ATOM 1097 H HD12 . LEU A1 1 72 ? -16.983 16.104 -21.201 1.0 11.12 ? 72 A 9 -ATOM 1098 H HD13 . LEU A1 1 72 ? -16.81 14.364 -21.435 1.0 74.11 ? 72 A 9 -ATOM 1099 H HD21 . LEU A1 1 72 ? -14.53 13.732 -19.885 1.0 45.11 ? 72 A 9 -ATOM 1100 H HD22 . LEU A1 1 72 ? -16.026 12.934 -19.397 1.0 64.51 ? 72 A 9 -ATOM 1101 H HD23 . LEU A1 1 72 ? -15.056 13.795 -18.202 1.0 15.53 ? 72 A 9 -ATOM 1102 N N . HIS A1 1 73 ? -17.863 18.038 -19.99 1.0 22.1 ? 73 A 9 -ATOM 1103 C CA . HIS A1 1 73 ? -19.131 18.115 -20.707 1.0 43.22 ? 73 A 9 -ATOM 1104 C C . HIS A1 1 73 ? -19.16 17.126 -21.868 1.0 1.12 ? 73 A 9 -ATOM 1105 O O . HIS A1 1 73 ? -18.334 17.197 -22.779 1.0 41.41 ? 73 A 9 -ATOM 1106 C CB . HIS A1 1 73 ? -19.363 19.535 -21.226 1.0 34.11 ? 73 A 9 -ATOM 1107 C CG . HIS A1 1 73 ? -20.8 19.84 -21.515 1.0 25.31 ? 73 A 9 -ATOM 1108 N ND1 . HIS A1 1 73 ? -21.35 21.094 -21.357 1.0 22.31 ? 73 A 9 -ATOM 1109 C CD2 . HIS A1 1 73 ? -21.802 19.044 -21.957 1.0 30.12 ? 73 A 9 -ATOM 1110 C CE1 . HIS A1 1 73 ? -22.629 21.057 -21.687 1.0 74.03 ? 73 A 9 -ATOM 1111 N NE2 . HIS A1 1 73 ? -22.928 19.824 -22.056 1.0 22.32 ? 73 A 9 -ATOM 1112 H H . HIS A1 1 73 ? -17.091 18.537 -20.33 1.0 41.1 ? 73 A 9 -ATOM 1113 H HA . HIS A1 1 73 ? -19.919 17.862 -20.014 1.0 23.25 ? 73 A 9 -ATOM 1114 H HB2 . HIS A1 1 73 ? -19.016 20.242 -20.486 1.0 51.13 ? 73 A 9 -ATOM 1115 H HB3 . HIS A1 1 73 ? -18.803 19.673 -22.139 1.0 64.13 ? 73 A 9 -ATOM 1116 H HD1 . HIS A1 1 73 ? -20.875 21.892 -21.046 1.0 63.31 ? 73 A 9 -ATOM 1117 H HD2 . HIS A1 1 73 ? -21.731 17.991 -22.189 1.0 71.43 ? 73 A 9 -ATOM 1118 H HE1 . HIS A1 1 73 ? -23.313 21.891 -21.661 1.0 3.34 ? 73 A 9 -ATOM 1119 N N . LEU A1 1 74 ? -20.115 16.203 -21.829 1.0 31.4 ? 74 A 9 -ATOM 1120 C CA . LEU A1 1 74 ? -20.252 15.198 -22.877 1.0 41.22 ? 74 A 9 -ATOM 1121 C C . LEU A1 1 74 ? -21.463 15.49 -23.757 1.0 21.0 ? 74 A 9 -ATOM 1122 O O . LEU A1 1 74 ? -22.601 15.484 -23.286 1.0 70.53 ? 74 A 9 -ATOM 1123 C CB . LEU A1 1 74 ? -20.378 13.804 -22.261 1.0 42.32 ? 74 A 9 -ATOM 1124 C CG . LEU A1 1 74 ? -21.085 12.753 -23.118 1.0 13.02 ? 74 A 9 -ATOM 1125 C CD1 . LEU A1 1 74 ? -20.424 12.644 -24.483 1.0 50.12 ? 74 A 9 -ATOM 1126 C CD2 . LEU A1 1 74 ? -21.086 11.404 -22.414 1.0 22.4 ? 74 A 9 -ATOM 1127 H H . LEU A1 1 74 ? -20.744 16.197 -21.078 1.0 53.04 ? 74 A 9 -ATOM 1128 H HA . LEU A1 1 74 ? -19.362 15.234 -23.488 1.0 65.43 ? 74 A 9 -ATOM 1129 H HB2 . LEU A1 1 74 ? -19.382 13.444 -22.052 1.0 22.02 ? 74 A 9 -ATOM 1130 H HB3 . LEU A1 1 74 ? -20.926 13.901 -21.335 1.0 20.31 ? 74 A 9 -ATOM 1131 H HG . LEU A1 1 74 ? -22.113 13.053 -23.268 1.0 34.12 ? 74 A 9 -ATOM 1132 H HD11 . LEU A1 1 74 ? -19.387 12.932 -24.405 1.0 33.01 ? 74 A 9 -ATOM 1133 H HD12 . LEU A1 1 74 ? -20.928 13.298 -25.18 1.0 1.34 ? 74 A 9 -ATOM 1134 H HD13 . LEU A1 1 74 ? -20.49 11.625 -24.834 1.0 63.14 ? 74 A 9 -ATOM 1135 H HD21 . LEU A1 1 74 ? -20.074 11.138 -22.145 1.0 12.32 ? 74 A 9 -ATOM 1136 H HD22 . LEU A1 1 74 ? -21.492 10.653 -23.076 1.0 54.43 ? 74 A 9 -ATOM 1137 H HD23 . LEU A1 1 74 ? -21.693 11.463 -21.522 1.0 14.02 ? 74 A 9 -ATOM 1138 N N . VAL A1 1 75 ? -21.212 15.742 -25.037 1.0 43.5 ? 75 A 9 -ATOM 1139 C CA . VAL A1 1 75 ? -22.282 16.032 -25.984 1.0 52.32 ? 75 A 9 -ATOM 1140 C C . VAL A1 1 75 ? -22.448 14.9 -26.991 1.0 61.15 ? 75 A 9 -ATOM 1141 O O . VAL A1 1 75 ? -21.483 14.476 -27.629 1.0 54.31 ? 75 A 9 -ATOM 1142 C CB . VAL A1 1 75 ? -22.019 17.346 -26.744 1.0 24.5 ? 75 A 9 -ATOM 1143 C CG1 . VAL A1 1 75 ? -23.204 17.697 -27.63 1.0 55.3 ? 75 A 9 -ATOM 1144 C CG2 . VAL A1 1 75 ? -21.719 18.474 -25.769 1.0 64.14 ? 75 A 9 -ATOM 1145 H H . VAL A1 1 75 ? -20.284 15.732 -25.353 1.0 70.11 ? 75 A 9 -ATOM 1146 H HA . VAL A1 1 75 ? -23.201 16.142 -25.426 1.0 60.52 ? 75 A 9 -ATOM 1147 H HB . VAL A1 1 75 ? -21.154 17.205 -27.376 1.0 44.41 ? 75 A 9 -ATOM 1148 H HG11 . VAL A1 1 75 ? -23.629 18.636 -27.307 1.0 31.54 ? 75 A 9 -ATOM 1149 H HG12 . VAL A1 1 75 ? -22.874 17.784 -28.655 1.0 61.34 ? 75 A 9 -ATOM 1150 H HG13 . VAL A1 1 75 ? -23.951 16.92 -27.557 1.0 54.52 ? 75 A 9 -ATOM 1151 H HG21 . VAL A1 1 75 ? -21.787 19.422 -26.282 1.0 5.24 ? 75 A 9 -ATOM 1152 H HG22 . VAL A1 1 75 ? -22.434 18.45 -24.96 1.0 61.35 ? 75 A 9 -ATOM 1153 H HG23 . VAL A1 1 75 ? -20.722 18.351 -25.371 1.0 24.43 ? 75 A 9 -ATOM 1154 N N . LEU A1 1 76 ? -23.676 14.414 -27.129 1.0 35.1 ? 76 A 9 -ATOM 1155 C CA . LEU A1 1 76 ? -23.969 13.329 -28.06 1.0 22.53 ? 76 A 9 -ATOM 1156 C C . LEU A1 1 76 ? -25.073 13.73 -29.034 1.0 2.14 ? 76 A 9 -ATOM 1157 O O . LEU A1 1 76 ? -26.07 14.336 -28.641 1.0 21.5 ? 76 A 9 -ATOM 1158 C CB . LEU A1 1 76 ? -24.381 12.071 -27.294 1.0 73.12 ? 76 A 9 -ATOM 1159 C CG . LEU A1 1 76 ? -24.311 12.16 -25.769 1.0 64.45 ? 76 A 9 -ATOM 1160 C CD1 . LEU A1 1 76 ? -25.526 12.891 -25.221 1.0 24.13 ? 76 A 9 -ATOM 1161 C CD2 . LEU A1 1 76 ? -24.202 10.77 -25.159 1.0 22.03 ? 76 A 9 -ATOM 1162 H H . LEU A1 1 76 ? -24.404 14.792 -26.594 1.0 44.32 ? 76 A 9 -ATOM 1163 H HA . LEU A1 1 76 ? -23.07 13.121 -28.62 1.0 53.04 ? 76 A 9 -ATOM 1164 H HB2 . LEU A1 1 76 ? -25.4 11.838 -27.565 1.0 71.31 ? 76 A 9 -ATOM 1165 H HB3 . LEU A1 1 76 ? -23.734 11.265 -27.61 1.0 62.14 ? 76 A 9 -ATOM 1166 H HG . LEU A1 1 76 ? -23.43 12.72 -25.488 1.0 42.11 ? 76 A 9 -ATOM 1167 H HD11 . LEU A1 1 76 ? -25.784 12.486 -24.254 1.0 12.14 ? 76 A 9 -ATOM 1168 H HD12 . LEU A1 1 76 ? -26.358 12.766 -25.898 1.0 23.21 ? 76 A 9 -ATOM 1169 H HD13 . LEU A1 1 76 ? -25.299 13.943 -25.122 1.0 40.2 ? 76 A 9 -ATOM 1170 H HD21 . LEU A1 1 76 ? -23.313 10.714 -24.548 1.0 53.24 ? 76 A 9 -ATOM 1171 H HD22 . LEU A1 1 76 ? -24.144 10.035 -25.947 1.0 72.02 ? 76 A 9 -ATOM 1172 H HD23 . LEU A1 1 76 ? -25.072 10.576 -24.548 1.0 63.4 ? 76 A 9 -ATOM 1173 N N . ARG A1 1 77 ? -24.888 13.387 -30.304 1.0 50.44 ? 77 A 9 -ATOM 1174 C CA . ARG A1 1 77 ? -25.868 13.71 -31.333 1.0 12.4 ? 77 A 9 -ATOM 1175 C C . ARG A1 1 77 ? -26.539 12.446 -31.862 1.0 10.32 ? 77 A 9 -ATOM 1176 O O . ARG A1 1 77 ? -26.292 12.024 -32.992 1.0 12.43 ? 77 A 9 -ATOM 1177 C CB . ARG A1 1 77 ? -25.201 14.465 -32.484 1.0 55.35 ? 77 A 9 -ATOM 1178 C CG . ARG A1 1 77 ? -24.389 15.669 -32.034 1.0 12.22 ? 77 A 9 -ATOM 1179 C CD . ARG A1 1 77 ? -22.934 15.55 -32.458 1.0 60.22 ? 77 A 9 -ATOM 1180 N NE . ARG A1 1 77 ? -22.372 16.839 -32.853 1.0 64.33 ? 77 A 9 -ATOM 1181 C CZ . ARG A1 1 77 ? -21.288 16.967 -33.61 1.0 13.31 ? 77 A 9 -ATOM 1182 N NH1 . ARG A1 1 77 ? -20.654 15.89 -34.053 1.0 63.3 ? 77 A 9 -ATOM 1183 N NH2 . ARG A1 1 77 ? -20.837 18.174 -33.927 1.0 70.54 ? 77 A 9 -ATOM 1184 H H . ARG A1 1 77 ? -24.072 12.905 -30.555 1.0 2.41 ? 77 A 9 -ATOM 1185 H HA . ARG A1 1 77 ? -26.621 14.344 -30.888 1.0 53.23 ? 77 A 9 -ATOM 1186 H HB2 . ARG A1 1 77 ? -24.54 13.789 -33.008 1.0 41.04 ? 77 A 9 -ATOM 1187 H HB3 . ARG A1 1 77 ? -25.965 14.808 -33.165 1.0 23.23 ? 77 A 9 -ATOM 1188 H HG2 . ARG A1 1 77 ? -24.809 16.56 -32.475 1.0 3.21 ? 77 A 9 -ATOM 1189 H HG3 . ARG A1 1 77 ? -24.437 15.741 -30.958 1.0 45.32 ? 77 A 9 -ATOM 1190 H HD2 . ARG A1 1 77 ? -22.362 15.157 -31.63 1.0 24.22 ? 77 A 9 -ATOM 1191 H HD3 . ARG A1 1 77 ? -22.871 14.869 -33.294 1.0 55.12 ? 77 A 9 -ATOM 1192 H HE . ARG A1 1 77 ? -22.825 17.647 -32.537 1.0 41.44 ? 77 A 9 -ATOM 1193 H HH11 . ARG A1 1 77 ? -20.991 14.979 -33.817 1.0 31.24 ? 77 A 9 -ATOM 1194 H HH12 . ARG A1 1 77 ? -19.839 15.989 -34.625 1.0 72.5 ? 77 A 9 -ATOM 1195 H HH21 . ARG A1 1 77 ? -21.313 18.988 -33.595 1.0 71.34 ? 77 A 9 -ATOM 1196 H HH22 . ARG A1 1 77 ? -20.022 18.269 -34.497 1.0 1.44 ? 77 A 9 -ATOM 1197 N N . LEU A1 1 78 ? -27.389 11.845 -31.036 1.0 31.03 ? 78 A 9 -ATOM 1198 C CA . LEU A1 1 78 ? -28.096 10.628 -31.42 1.0 51.32 ? 78 A 9 -ATOM 1199 C C . LEU A1 1 78 ? -29.222 10.938 -32.401 1.0 14.11 ? 78 A 9 -ATOM 1200 O O . LEU A1 1 78 ? -29.411 10.227 -33.389 1.0 12.31 ? 78 A 9 -ATOM 1201 C CB . LEU A1 1 78 ? -28.662 9.931 -30.181 1.0 42.51 ? 78 A 9 -ATOM 1202 C CG . LEU A1 1 78 ? -27.692 9.032 -29.414 1.0 51.45 ? 78 A 9 -ATOM 1203 C CD1 . LEU A1 1 78 ? -26.573 9.856 -28.798 1.0 14.44 ? 78 A 9 -ATOM 1204 C CD2 . LEU A1 1 78 ? -28.43 8.244 -28.342 1.0 25.32 ? 78 A 9 -ATOM 1205 H H . LEU A1 1 78 ? -27.546 12.227 -30.148 1.0 75.31 ? 78 A 9 -ATOM 1206 H HA . LEU A1 1 78 ? -27.387 9.97 -31.9 1.0 64.2 ? 78 A 9 -ATOM 1207 H HB2 . LEU A1 1 78 ? -29.011 10.695 -29.503 1.0 61.14 ? 78 A 9 -ATOM 1208 H HB3 . LEU A1 1 78 ? -29.499 9.325 -30.497 1.0 62.32 ? 78 A 9 -ATOM 1209 H HG . LEU A1 1 78 ? -27.246 8.326 -30.102 1.0 53.42 ? 78 A 9 -ATOM 1210 H HD11 . LEU A1 1 78 ? -26.997 10.637 -28.185 1.0 3.24 ? 78 A 9 -ATOM 1211 H HD12 . LEU A1 1 78 ? -25.977 10.298 -29.582 1.0 74.14 ? 78 A 9 -ATOM 1212 H HD13 . LEU A1 1 78 ? -25.95 9.218 -28.189 1.0 11.41 ? 78 A 9 -ATOM 1213 H HD21 . LEU A1 1 78 ? -27.79 8.122 -27.481 1.0 65.32 ? 78 A 9 -ATOM 1214 H HD22 . LEU A1 1 78 ? -28.7 7.273 -28.731 1.0 65.43 ? 78 A 9 -ATOM 1215 H HD23 . LEU A1 1 78 ? -29.324 8.778 -28.054 1.0 34.04 ? 78 A 9 -ATOM 1216 N N . ARG A1 1 79 ? -29.964 12.004 -32.124 1.0 44.5 ? 79 A 9 -ATOM 1217 C CA . ARG A1 1 79 ? -31.07 12.41 -32.984 1.0 54.44 ? 79 A 9 -ATOM 1218 C C . ARG A1 1 79 ? -30.556 13.113 -34.236 1.0 43.43 ? 79 A 9 -ATOM 1219 O O . ARG A1 1 79 ? -30.309 14.318 -34.227 1.0 24.23 ? 79 A 9 -ATOM 1220 C CB . ARG A1 1 79 ? -32.024 13.333 -32.223 1.0 53.1 ? 79 A 9 -ATOM 1221 C CG . ARG A1 1 79 ? -33.264 12.628 -31.697 1.0 62.42 ? 79 A 9 -ATOM 1222 C CD . ARG A1 1 79 ? -32.91 11.588 -30.646 1.0 15.2 ? 79 A 9 -ATOM 1223 N NE . ARG A1 1 79 ? -33.266 10.237 -31.072 1.0 22.21 ? 79 A 9 -ATOM 1224 C CZ . ARG A1 1 79 ? -34.518 9.801 -31.166 1.0 43.33 ? 79 A 9 -ATOM 1225 N NH1 . ARG A1 1 79 ? -35.527 10.607 -30.866 1.0 51.34 ? 79 A 9 -ATOM 1226 N NH2 . ARG A1 1 79 ? -34.761 8.558 -31.56 1.0 24.34 ? 79 A 9 -ATOM 1227 H H . ARG A1 1 79 ? -29.765 12.531 -31.323 1.0 30.43 ? 79 A 9 -ATOM 1228 H HA . ARG A1 1 79 ? -31.605 11.519 -33.279 1.0 75.12 ? 79 A 9 -ATOM 1229 H HB2 . ARG A1 1 79 ? -31.498 13.761 -31.382 1.0 72.51 ? 79 A 9 -ATOM 1230 H HB3 . ARG A1 1 79 ? -32.34 14.127 -32.882 1.0 62.3 ? 79 A 9 -ATOM 1231 H HG2 . ARG A1 1 79 ? -33.923 13.36 -31.255 1.0 34.21 ? 79 A 9 -ATOM 1232 H HG3 . ARG A1 1 79 ? -33.765 12.14 -32.52 1.0 51.44 ? 79 A 9 -ATOM 1233 H HD2 . ARG A1 1 79 ? -31.847 11.628 -30.462 1.0 21.42 ? 79 A 9 -ATOM 1234 H HD3 . ARG A1 1 79 ? -33.442 11.82 -29.736 1.0 24.22 ? 79 A 9 -ATOM 1235 H HE . ARG A1 1 79 ? -32.535 9.625 -31.298 1.0 63.2 ? 79 A 9 -ATOM 1236 H HH11 . ARG A1 1 79 ? -35.347 11.544 -30.57 1.0 0.03 ? 79 A 9 -ATOM 1237 H HH12 . ARG A1 1 79 ? -36.469 10.277 -30.939 1.0 54.33 ? 79 A 9 -ATOM 1238 H HH21 . ARG A1 1 79 ? -34.003 7.948 -31.787 1.0 72.3 ? 79 A 9 -ATOM 1239 H HH22 . ARG A1 1 79 ? -35.703 8.232 -31.631 1.0 2.44 ? 79 A 9 -ATOM 1240 N N . GLY A1 1 80 ? -30.396 12.35 -35.314 1.0 11.03 ? 80 A 9 -ATOM 1241 C CA . GLY A1 1 80 ? -29.912 12.917 -36.559 1.0 3.12 ? 80 A 9 -ATOM 1242 C C . GLY A1 1 80 ? -29.827 11.889 -37.67 1.0 52.34 ? 80 A 9 -ATOM 1243 O O . GLY A1 1 80 ? -28.955 11.969 -38.533 1.0 43.44 ? 80 A 9 -ATOM 1244 H H . GLY A1 1 80 ? -30.609 11.395 -35.263 1.0 0.24 ? 80 A 9 -ATOM 1245 H HA2 . GLY A1 1 80 ? -30.579 13.709 -36.865 1.0 71.24 ? 80 A 9 -ATOM 1246 H HA3 . GLY A1 1 80 ? -28.929 13.333 -36.393 1.0 43.14 ? 80 A 9 -ATOM 1247 N N . GLY A1 1 81 ? -30.735 10.919 -37.647 1.0 43.34 ? 81 A 9 -ATOM 1248 C CA . GLY A1 1 81 ? -30.741 9.884 -38.664 1.0 20.2 ? 81 A 9 -ATOM 1249 C C . GLY A1 1 81 ? -30.906 8.496 -38.077 1.0 63.23 ? 81 A 9 -ATOM 1250 O O . GLY A1 1 81 ? -31.912 8.202 -37.431 1.0 30.24 ? 81 A 9 -ATOM 1251 H H . GLY A1 1 81 ? -31.407 10.906 -36.933 1.0 11.33 ? 81 A 9 -ATOM 1252 H HA2 . GLY A1 1 81 ? -31.553 10.072 -39.35 1.0 30.51 ? 81 A 9 -ATOM 1253 H HA3 . GLY A1 1 81 ? -29.807 9.923 -39.207 1.0 55.14 ? 81 A 9 -ATOM 1254 N N . VAL A1 1 82 ? -29.916 7.637 -38.304 1.0 30.52 ? 82 A 9 -ATOM 1255 C CA . VAL A1 1 82 ? -29.956 6.272 -37.794 1.0 4.45 ? 82 A 9 -ATOM 1256 C C . VAL A1 1 82 ? -28.726 5.965 -36.947 1.0 63.52 ? 82 A 9 -ATOM 1257 O O . VAL A1 1 82 ? -28.672 6.306 -35.766 1.0 12.52 ? 82 A 9 -ATOM 1258 C CB . VAL A1 1 82 ? -30.046 5.247 -38.94 1.0 53.54 ? 82 A 9 -ATOM 1259 C CG1 . VAL A1 1 82 ? -28.829 5.352 -39.847 1.0 33.31 ? 82 A 9 -ATOM 1260 C CG2 . VAL A1 1 82 ? -30.187 3.838 -38.384 1.0 1.13 ? 82 A 9 -ATOM 1261 H H . VAL A1 1 82 ? -29.14 7.93 -38.826 1.0 42.11 ? 82 A 9 -ATOM 1262 H HA . VAL A1 1 82 ? -30.839 6.171 -37.179 1.0 65.12 ? 82 A 9 -ATOM 1263 H HB . VAL A1 1 82 ? -30.925 5.47 -39.527 1.0 3.02 ? 82 A 9 -ATOM 1264 H HG11 . VAL A1 1 82 ? -28.729 6.369 -40.197 1.0 71.54 ? 82 A 9 -ATOM 1265 H HG12 . VAL A1 1 82 ? -27.944 5.071 -39.295 1.0 43.52 ? 82 A 9 -ATOM 1266 H HG13 . VAL A1 1 82 ? -28.952 4.691 -40.692 1.0 60.31 ? 82 A 9 -ATOM 1267 H HG21 . VAL A1 1 82 ? -31.144 3.43 -38.675 1.0 51.1 ? 82 A 9 -ATOM 1268 H HG22 . VAL A1 1 82 ? -29.396 3.216 -38.776 1.0 43.42 ? 82 A 9 -ATOM 1269 H HG23 . VAL A1 1 82 ? -30.121 3.867 -37.306 1.0 61.21 ? 82 A 9 -ATOM 1 N N . GLY A1 1 1 ? -9.315 -3.394 -3.453 1.0 13.0 ? 1 A 10 -ATOM 2 C CA . GLY A1 1 1 ? -8.883 -2.262 -2.652 1.0 45.03 ? 1 A 10 -ATOM 3 C C . GLY A1 1 1 ? -7.565 -1.684 -3.129 1.0 65.21 ? 1 A 10 -ATOM 4 O O . GLY A1 1 1 ? -6.539 -1.786 -2.456 1.0 33.34 ? 1 A 10 -ATOM 5 H H1 . GLY A1 1 1 ? -9.316 -4.294 -3.065 1.0 52.4 ? 1 A 10 -ATOM 6 H HA2 . GLY A1 1 1 ? -9.64 -1.493 -2.699 1.0 14.15 ? 1 A 10 -ATOM 7 H HA3 . GLY A1 1 1 ? -8.773 -2.583 -1.627 1.0 34.23 ? 1 A 10 -ATOM 8 N N . PRO A1 1 2 ? -7.582 -1.062 -4.317 1.0 55.32 ? 2 A 10 -ATOM 9 C CA . PRO A1 1 2 ? -6.387 -0.454 -4.909 1.0 21.43 ? 2 A 10 -ATOM 10 C C . PRO A1 1 2 ? -5.934 0.79 -4.154 1.0 41.45 ? 2 A 10 -ATOM 11 O O . PRO A1 1 2 ? -6.508 1.147 -3.124 1.0 62.42 ? 2 A 10 -ATOM 12 C CB . PRO A1 1 2 ? -6.841 -0.086 -6.324 1.0 51.45 ? 2 A 10 -ATOM 13 C CG . PRO A1 1 2 ? -8.318 0.08 -6.217 1.0 43.11 ? 2 A 10 -ATOM 14 C CD . PRO A1 1 2 ? -8.77 -0.903 -5.173 1.0 64.14 ? 2 A 10 -ATOM 15 H HA . PRO A1 1 2 ? -5.57 -1.158 -4.964 1.0 31.54 ? 2 A 10 -ATOM 16 H HB2 . PRO A1 1 2 ? -6.361 0.833 -6.631 1.0 42.4 ? 2 A 10 -ATOM 17 H HB3 . PRO A1 1 2 ? -6.581 -0.88 -7.008 1.0 62.54 ? 2 A 10 -ATOM 18 H HG2 . PRO A1 1 2 ? -8.553 1.088 -5.91 1.0 3.22 ? 2 A 10 -ATOM 19 H HG3 . PRO A1 1 2 ? -8.781 -0.143 -7.167 1.0 51.14 ? 2 A 10 -ATOM 20 H HD2 . PRO A1 1 2 ? -9.6 -0.501 -4.61 1.0 11.0 ? 2 A 10 -ATOM 21 H HD3 . PRO A1 1 2 ? -9.042 -1.842 -5.631 1.0 24.12 ? 2 A 10 -ATOM 22 N N . LEU A1 1 3 ? -4.902 1.448 -4.671 1.0 34.12 ? 3 A 10 -ATOM 23 C CA . LEU A1 1 3 ? -4.372 2.654 -4.045 1.0 54.03 ? 3 A 10 -ATOM 24 C C . LEU A1 1 3 ? -4.382 3.824 -5.023 1.0 63.21 ? 3 A 10 -ATOM 25 O O . LEU A1 1 3 ? -5.097 4.806 -4.825 1.0 11.24 ? 3 A 10 -ATOM 26 C CB . LEU A1 1 3 ? -2.949 2.408 -3.541 1.0 60.12 ? 3 A 10 -ATOM 27 C CG . LEU A1 1 3 ? -2.813 2.049 -2.061 1.0 64.13 ? 3 A 10 -ATOM 28 C CD1 . LEU A1 1 3 ? -1.495 1.336 -1.802 1.0 62.25 ? 3 A 10 -ATOM 29 C CD2 . LEU A1 1 3 ? -2.925 3.298 -1.197 1.0 0.12 ? 3 A 10 -ATOM 30 H H . LEU A1 1 3 ? -4.486 1.115 -5.493 1.0 52.35 ? 3 A 10 -ATOM 31 H HA . LEU A1 1 3 ? -5.006 2.897 -3.205 1.0 43.13 ? 3 A 10 -ATOM 32 H HB2 . LEU A1 1 3 ? -2.53 1.597 -4.117 1.0 74.24 ? 3 A 10 -ATOM 33 H HB3 . LEU A1 1 3 ? -2.376 3.307 -3.719 1.0 72.41 ? 3 A 10 -ATOM 34 H HG . LEU A1 1 3 ? -3.615 1.378 -1.784 1.0 43.5 ? 3 A 10 -ATOM 35 H HD11 . LEU A1 1 3 ? -1.625 0.615 -1.01 1.0 50.45 ? 3 A 10 -ATOM 36 H HD12 . LEU A1 1 3 ? -0.746 2.058 -1.513 1.0 4.34 ? 3 A 10 -ATOM 37 H HD13 . LEU A1 1 3 ? -1.178 0.83 -2.702 1.0 54.42 ? 3 A 10 -ATOM 38 H HD21 . LEU A1 1 3 ? -3.668 3.96 -1.616 1.0 23.33 ? 3 A 10 -ATOM 39 H HD22 . LEU A1 1 3 ? -1.969 3.8 -1.168 1.0 1.01 ? 3 A 10 -ATOM 40 H HD23 . LEU A1 1 3 ? -3.215 3.017 -0.195 1.0 75.24 ? 3 A 10 -ATOM 41 N N . GLY A1 1 4 ? -3.584 3.712 -6.081 1.0 4.21 ? 4 A 10 -ATOM 42 C CA . GLY A1 1 4 ? -3.518 4.767 -7.075 1.0 43.34 ? 4 A 10 -ATOM 43 C C . GLY A1 1 4 ? -4.793 4.878 -7.888 1.0 32.24 ? 4 A 10 -ATOM 44 O O . GLY A1 1 4 ? -5.893 4.755 -7.349 1.0 73.31 ? 4 A 10 -ATOM 45 H H . GLY A1 1 4 ? -3.036 2.906 -6.187 1.0 2.13 ? 4 A 10 -ATOM 46 H HA2 . GLY A1 1 4 ? -3.338 5.707 -6.576 1.0 53.5 ? 4 A 10 -ATOM 47 H HA3 . GLY A1 1 4 ? -2.695 4.563 -7.745 1.0 61.41 ? 4 A 10 -ATOM 48 N N . SER A1 1 5 ? -4.646 5.114 -9.188 1.0 14.33 ? 5 A 10 -ATOM 49 C CA . SER A1 1 5 ? -5.795 5.248 -10.075 1.0 12.42 ? 5 A 10 -ATOM 50 C C . SER A1 1 5 ? -6.66 6.437 -9.667 1.0 43.22 ? 5 A 10 -ATOM 51 O O . SER A1 1 5 ? -6.508 6.984 -8.576 1.0 33.52 ? 5 A 10 -ATOM 52 C CB . SER A1 1 5 ? -6.629 3.966 -10.061 1.0 72.02 ? 5 A 10 -ATOM 53 O OG . SER A1 1 5 ? -5.802 2.82 -9.96 1.0 21.35 ? 5 A 10 -ATOM 54 H H . SER A1 1 5 ? -3.742 5.203 -9.558 1.0 31.12 ? 5 A 10 -ATOM 55 H HA . SER A1 1 5 ? -5.423 5.415 -11.075 1.0 12.32 ? 5 A 10 -ATOM 56 H HB2 . SER A1 1 5 ? -7.301 3.986 -9.216 1.0 41.01 ? 5 A 10 -ATOM 57 H HB3 . SER A1 1 5 ? -7.202 3.903 -10.975 1.0 74.13 ? 5 A 10 -ATOM 58 H HG . SER A1 1 5 ? -5.546 2.531 -10.839 1.0 33.45 ? 5 A 10 -ATOM 59 N N . MET A1 1 6 ? -7.569 6.83 -10.553 1.0 14.01 ? 6 A 10 -ATOM 60 C CA . MET A1 1 6 ? -8.461 7.953 -10.286 1.0 54.33 ? 6 A 10 -ATOM 61 C C . MET A1 1 6 ? -9.804 7.758 -10.981 1.0 31.44 ? 6 A 10 -ATOM 62 O O . MET A1 1 6 ? -10.057 6.713 -11.58 1.0 1.11 ? 6 A 10 -ATOM 63 C CB . MET A1 1 6 ? -7.819 9.263 -10.749 1.0 70.21 ? 6 A 10 -ATOM 64 C CG . MET A1 1 6 ? -7.173 9.171 -12.121 1.0 25.05 ? 6 A 10 -ATOM 65 S SD . MET A1 1 6 ? -5.423 8.742 -12.037 1.0 3.44 ? 6 A 10 -ATOM 66 C CE . MET A1 1 6 ? -4.7 10.341 -11.675 1.0 13.21 ? 6 A 10 -ATOM 67 H H . MET A1 1 6 ? -7.644 6.354 -11.407 1.0 2.32 ? 6 A 10 -ATOM 68 H HA . MET A1 1 6 ? -8.624 7.999 -9.22 1.0 5.22 ? 6 A 10 -ATOM 69 H HB2 . MET A1 1 6 ? -8.579 10.029 -10.783 1.0 62.43 ? 6 A 10 -ATOM 70 H HB3 . MET A1 1 6 ? -7.061 9.55 -10.036 1.0 63.34 ? 6 A 10 -ATOM 71 H HG2 . MET A1 1 6 ? -7.686 8.415 -12.697 1.0 33.13 ? 6 A 10 -ATOM 72 H HG3 . MET A1 1 6 ? -7.272 10.126 -12.615 1.0 12.41 ? 6 A 10 -ATOM 73 H HE1 . MET A1 1 6 ? -5.425 10.955 -11.161 1.0 12.23 ? 6 A 10 -ATOM 74 H HE2 . MET A1 1 6 ? -3.831 10.209 -11.048 1.0 52.54 ? 6 A 10 -ATOM 75 H HE3 . MET A1 1 6 ? -4.409 10.821 -12.598 1.0 2.41 ? 6 A 10 -ATOM 76 N N . GLN A1 1 7 ? -10.662 8.77 -10.897 1.0 13.12 ? 7 A 10 -ATOM 77 C CA . GLN A1 1 7 ? -11.979 8.708 -11.518 1.0 13.2 ? 7 A 10 -ATOM 78 C C . GLN A1 1 7 ? -12.339 10.04 -12.168 1.0 42.42 ? 7 A 10 -ATOM 79 O O . GLN A1 1 7 ? -11.798 11.085 -11.804 1.0 71.33 ? 7 A 10 -ATOM 80 C CB . GLN A1 1 7 ? -13.038 8.331 -10.48 1.0 42.01 ? 7 A 10 -ATOM 81 C CG . GLN A1 1 7 ? -12.595 7.229 -9.532 1.0 12.34 ? 7 A 10 -ATOM 82 C CD . GLN A1 1 7 ? -12.064 7.768 -8.218 1.0 44.31 ? 7 A 10 -ATOM 83 O OE1 . GLN A1 1 7 ? -11.95 8.98 -8.032 1.0 33.44 ? 7 A 10 -ATOM 84 N NE2 . GLN A1 1 7 ? -11.737 6.868 -7.298 1.0 73.32 ? 7 A 10 -ATOM 85 H H . GLN A1 1 7 ? -10.402 9.577 -10.407 1.0 71.21 ? 7 A 10 -ATOM 86 H HA . GLN A1 1 7 ? -11.95 7.946 -12.282 1.0 62.03 ? 7 A 10 -ATOM 87 H HB2 . GLN A1 1 7 ? -13.278 9.206 -9.895 1.0 13.25 ? 7 A 10 -ATOM 88 H HB3 . GLN A1 1 7 ? -13.927 7.997 -10.995 1.0 41.42 ? 7 A 10 -ATOM 89 H HG2 . GLN A1 1 7 ? -13.44 6.588 -9.325 1.0 43.33 ? 7 A 10 -ATOM 90 H HG3 . GLN A1 1 7 ? -11.816 6.653 -10.009 1.0 33.21 ? 7 A 10 -ATOM 91 H HE21 . GLN A1 1 7 ? -11.853 5.919 -7.517 1.0 52.01 ? 7 A 10 -ATOM 92 H HE22 . GLN A1 1 7 ? -11.391 7.188 -6.44 1.0 55.43 ? 7 A 10 -ATOM 93 N N . ILE A1 1 8 ? -13.253 9.996 -13.13 1.0 12.12 ? 8 A 10 -ATOM 94 C CA . ILE A1 1 8 ? -13.685 11.2 -13.83 1.0 64.2 ? 8 A 10 -ATOM 95 C C . ILE A1 1 8 ? -15.205 11.314 -13.841 1.0 0.33 ? 8 A 10 -ATOM 96 O O . ILE A1 1 8 ? -15.915 10.316 -13.71 1.0 11.35 ? 8 A 10 -ATOM 97 C CB . ILE A1 1 8 ? -13.169 11.224 -15.28 1.0 65.34 ? 8 A 10 -ATOM 98 C CG1 . ILE A1 1 8 ? -12.348 9.966 -15.573 1.0 72.33 ? 8 A 10 -ATOM 99 C CG2 . ILE A1 1 8 ? -12.338 12.474 -15.527 1.0 55.24 ? 8 A 10 -ATOM 100 C CD1 . ILE A1 1 8 ? -11.971 9.817 -17.031 1.0 11.02 ? 8 A 10 -ATOM 101 H H . ILE A1 1 8 ? -13.648 9.134 -13.375 1.0 43.45 ? 8 A 10 -ATOM 102 H HA . ILE A1 1 8 ? -13.274 12.053 -13.308 1.0 41.41 ? 8 A 10 -ATOM 103 H HB . ILE A1 1 8 ? -14.021 11.251 -15.942 1.0 13.24 ? 8 A 10 -ATOM 104 H HG12 . ILE A1 1 8 ? -11.437 9.996 -14.997 1.0 4.11 ? 8 A 10 -ATOM 105 H HG13 . ILE A1 1 8 ? -12.921 9.096 -15.287 1.0 33.41 ? 8 A 10 -ATOM 106 H HG21 . ILE A1 1 8 ? -11.743 12.689 -14.651 1.0 12.11 ? 8 A 10 -ATOM 107 H HG22 . ILE A1 1 8 ? -11.687 12.313 -16.373 1.0 14.43 ? 8 A 10 -ATOM 108 H HG23 . ILE A1 1 8 ? -12.993 13.308 -15.73 1.0 53.13 ? 8 A 10 -ATOM 109 H HD11 . ILE A1 1 8 ? -12.197 10.734 -17.557 1.0 4.51 ? 8 A 10 -ATOM 110 H HD12 . ILE A1 1 8 ? -10.914 9.608 -17.11 1.0 22.53 ? 8 A 10 -ATOM 111 H HD13 . ILE A1 1 8 ? -12.533 9.005 -17.467 1.0 32.23 ? 8 A 10 -ATOM 112 N N . PHE A1 1 9 ? -15.7 12.537 -14.0 1.0 44.42 ? 9 A 10 -ATOM 113 C CA . PHE A1 1 9 ? -17.137 12.783 -14.03 1.0 45.42 ? 9 A 10 -ATOM 114 C C . PHE A1 1 9 ? -17.595 13.168 -15.433 1.0 62.05 ? 9 A 10 -ATOM 115 O O . PHE A1 1 9 ? -17.069 14.105 -16.034 1.0 33.13 ? 9 A 10 -ATOM 116 C CB . PHE A1 1 9 ? -17.508 13.888 -13.039 1.0 42.3 ? 9 A 10 -ATOM 117 C CG . PHE A1 1 9 ? -18.202 13.382 -11.807 1.0 44.44 ? 9 A 10 -ATOM 118 C CD1 . PHE A1 1 9 ? -19.457 12.8 -11.893 1.0 24.21 ? 9 A 10 -ATOM 119 C CD2 . PHE A1 1 9 ? -17.601 13.488 -10.564 1.0 24.11 ? 9 A 10 -ATOM 120 C CE1 . PHE A1 1 9 ? -20.099 12.332 -10.762 1.0 54.33 ? 9 A 10 -ATOM 121 C CE2 . PHE A1 1 9 ? -18.237 13.021 -9.429 1.0 62.43 ? 9 A 10 -ATOM 122 C CZ . PHE A1 1 9 ? -19.488 12.444 -9.528 1.0 72.21 ? 9 A 10 -ATOM 123 H H . PHE A1 1 9 ? -15.084 13.293 -14.099 1.0 15.35 ? 9 A 10 -ATOM 124 H HA . PHE A1 1 9 ? -17.635 11.87 -13.74 1.0 72.15 ? 9 A 10 -ATOM 125 H HB2 . PHE A1 1 9 ? -16.609 14.398 -12.726 1.0 13.22 ? 9 A 10 -ATOM 126 H HB3 . PHE A1 1 9 ? -18.165 14.593 -13.526 1.0 20.44 ? 9 A 10 -ATOM 127 H HD1 . PHE A1 1 9 ? -19.936 12.712 -12.858 1.0 63.23 ? 9 A 10 -ATOM 128 H HD2 . PHE A1 1 9 ? -16.623 13.94 -10.484 1.0 43.5 ? 9 A 10 -ATOM 129 H HE1 . PHE A1 1 9 ? -21.077 11.881 -10.843 1.0 53.21 ? 9 A 10 -ATOM 130 H HE2 . PHE A1 1 9 ? -17.758 13.11 -8.465 1.0 61.25 ? 9 A 10 -ATOM 131 H HZ . PHE A1 1 9 ? -19.988 12.079 -8.643 1.0 11.33 ? 9 A 10 -ATOM 132 N N . VAL A1 1 10 ? -18.577 12.437 -15.951 1.0 35.51 ? 10 A 10 -ATOM 133 C CA . VAL A1 1 10 ? -19.106 12.701 -17.284 1.0 51.35 ? 10 A 10 -ATOM 134 C C . VAL A1 1 10 ? -20.576 13.1 -17.222 1.0 20.3 ? 10 A 10 -ATOM 135 O O . VAL A1 1 10 ? -21.378 12.457 -16.544 1.0 33.54 ? 10 A 10 -ATOM 136 C CB . VAL A1 1 10 ? -18.957 11.473 -18.2 1.0 1.24 ? 10 A 10 -ATOM 137 C CG1 . VAL A1 1 10 ? -19.085 11.878 -19.661 1.0 43.55 ? 10 A 10 -ATOM 138 C CG2 . VAL A1 1 10 ? -17.629 10.776 -17.946 1.0 70.41 ? 10 A 10 -ATOM 139 H H . VAL A1 1 10 ? -18.955 11.703 -15.423 1.0 13.11 ? 10 A 10 -ATOM 140 H HA . VAL A1 1 10 ? -18.54 13.515 -17.712 1.0 52.2 ? 10 A 10 -ATOM 141 H HB . VAL A1 1 10 ? -19.753 10.779 -17.971 1.0 21.21 ? 10 A 10 -ATOM 142 H HG11 . VAL A1 1 10 ? -20.117 12.11 -19.881 1.0 75.22 ? 10 A 10 -ATOM 143 H HG12 . VAL A1 1 10 ? -18.472 12.746 -19.849 1.0 54.41 ? 10 A 10 -ATOM 144 H HG13 . VAL A1 1 10 ? -18.759 11.062 -20.29 1.0 61.31 ? 10 A 10 -ATOM 145 H HG21 . VAL A1 1 10 ? -17.43 10.077 -18.744 1.0 13.24 ? 10 A 10 -ATOM 146 H HG22 . VAL A1 1 10 ? -16.84 11.512 -17.906 1.0 62.44 ? 10 A 10 -ATOM 147 H HG23 . VAL A1 1 10 ? -17.674 10.246 -17.006 1.0 2.35 ? 10 A 10 -ATOM 148 N N . LYS A1 1 11 ? -20.924 14.166 -17.935 1.0 23.3 ? 11 A 10 -ATOM 149 C CA . LYS A1 1 11 ? -22.299 14.652 -17.964 1.0 10.31 ? 11 A 10 -ATOM 150 C C . LYS A1 1 11 ? -22.936 14.401 -19.327 1.0 22.12 ? 11 A 10 -ATOM 151 O O . LYS A1 1 11 ? -22.538 14.996 -20.329 1.0 63.21 ? 11 A 10 -ATOM 152 C CB . LYS A1 1 11 ? -22.34 16.147 -17.636 1.0 34.41 ? 11 A 10 -ATOM 153 C CG . LYS A1 1 11 ? -23.686 16.793 -17.916 1.0 63.11 ? 11 A 10 -ATOM 154 C CD . LYS A1 1 11 ? -23.636 18.298 -17.708 1.0 3.15 ? 11 A 10 -ATOM 155 C CE . LYS A1 1 11 ? -23.242 19.024 -18.985 1.0 2.52 ? 11 A 10 -ATOM 156 N NZ . LYS A1 1 11 ? -23.426 20.497 -18.865 1.0 51.12 ? 11 A 10 -ATOM 157 H H . LYS A1 1 11 ? -20.24 14.638 -18.455 1.0 4.15 ? 11 A 10 -ATOM 158 H HA . LYS A1 1 11 ? -22.857 14.113 -17.214 1.0 44.21 ? 11 A 10 -ATOM 159 H HB2 . LYS A1 1 11 ? -22.11 16.28 -16.59 1.0 75.01 ? 11 A 10 -ATOM 160 H HB3 . LYS A1 1 11 ? -21.591 16.653 -18.228 1.0 15.43 ? 11 A 10 -ATOM 161 H HG2 . LYS A1 1 11 ? -23.967 16.591 -18.939 1.0 73.24 ? 11 A 10 -ATOM 162 H HG3 . LYS A1 1 11 ? -24.423 16.371 -17.248 1.0 30.03 ? 11 A 10 -ATOM 163 H HD2 . LYS A1 1 11 ? -24.61 18.643 -17.397 1.0 63.51 ? 11 A 10 -ATOM 164 H HD3 . LYS A1 1 11 ? -22.91 18.522 -16.939 1.0 61.22 ? 11 A 10 -ATOM 165 H HE2 . LYS A1 1 11 ? -22.205 18.816 -19.197 1.0 70.24 ? 11 A 10 -ATOM 166 H HE3 . LYS A1 1 11 ? -23.855 18.658 -19.795 1.0 3.13 ? 11 A 10 -ATOM 167 H HZ1 . LYS A1 1 11 ? -24.231 20.805 -19.447 1.0 1.34 ? 11 A 10 -ATOM 168 H HZ2 . LYS A1 1 11 ? -22.57 20.991 -19.187 1.0 61.44 ? 11 A 10 -ATOM 169 H HZ3 . LYS A1 1 11 ? -23.61 20.754 -17.875 1.0 12.11 ? 11 A 10 -ATOM 170 N N . THR A1 1 12 ? -23.929 13.518 -19.357 1.0 60.33 ? 12 A 10 -ATOM 171 C CA . THR A1 1 12 ? -24.622 13.19 -20.597 1.0 63.11 ? 12 A 10 -ATOM 172 C C . THR A1 1 12 ? -25.542 14.325 -21.03 1.0 63.2 ? 12 A 10 -ATOM 173 O O . THR A1 1 12 ? -25.902 15.187 -20.227 1.0 23.14 ? 12 A 10 -ATOM 174 C CB . THR A1 1 12 ? -25.45 11.899 -20.452 1.0 13.53 ? 12 A 10 -ATOM 175 O OG1 . THR A1 1 12 ? -26.491 12.09 -19.488 1.0 44.22 ? 12 A 10 -ATOM 176 C CG2 . THR A1 1 12 ? -24.567 10.734 -20.03 1.0 44.25 ? 12 A 10 -ATOM 177 H H . THR A1 1 12 ? -24.201 13.078 -18.525 1.0 50.31 ? 12 A 10 -ATOM 178 H HA . THR A1 1 12 ? -23.877 13.031 -21.363 1.0 15.31 ? 12 A 10 -ATOM 179 H HB . THR A1 1 12 ? -25.895 11.666 -21.409 1.0 3.11 ? 12 A 10 -ATOM 180 H HG1 . THR A1 1 12 ? -26.891 11.243 -19.277 1.0 54.01 ? 12 A 10 -ATOM 181 H HG21 . THR A1 1 12 ? -24.787 10.469 -19.007 1.0 54.24 ? 12 A 10 -ATOM 182 H HG22 . THR A1 1 12 ? -23.529 11.021 -20.112 1.0 51.32 ? 12 A 10 -ATOM 183 H HG23 . THR A1 1 12 ? -24.759 9.886 -20.671 1.0 74.05 ? 12 A 10 -ATOM 184 N N . LEU A1 1 13 ? -25.922 14.319 -22.303 1.0 74.21 ? 13 A 10 -ATOM 185 C CA . LEU A1 1 13 ? -26.803 15.349 -22.844 1.0 74.52 ? 13 A 10 -ATOM 186 C C . LEU A1 1 13 ? -28.134 15.372 -22.099 1.0 25.21 ? 13 A 10 -ATOM 187 O O . LEU A1 1 13 ? -28.872 16.357 -22.154 1.0 11.35 ? 13 A 10 -ATOM 188 C CB . LEU A1 1 13 ? -27.043 15.111 -24.335 1.0 31.51 ? 13 A 10 -ATOM 189 C CG . LEU A1 1 13 ? -27.715 16.253 -25.098 1.0 30.32 ? 13 A 10 -ATOM 190 C CD1 . LEU A1 1 13 ? -26.675 17.24 -25.606 1.0 44.31 ? 13 A 10 -ATOM 191 C CD2 . LEU A1 1 13 ? -28.545 15.709 -26.251 1.0 64.01 ? 13 A 10 -ATOM 192 H H . LEU A1 1 13 ? -25.603 13.606 -22.894 1.0 42.02 ? 13 A 10 -ATOM 193 H HA . LEU A1 1 13 ? -26.315 16.303 -22.714 1.0 34.1 ? 13 A 10 -ATOM 194 H HB2 . LEU A1 1 13 ? -26.087 14.921 -24.798 1.0 62.11 ? 13 A 10 -ATOM 195 H HB3 . LEU A1 1 13 ? -27.668 14.234 -24.432 1.0 43.21 ? 13 A 10 -ATOM 196 H HG . LEU A1 1 13 ? -28.378 16.784 -24.428 1.0 45.4 ? 13 A 10 -ATOM 197 H HD11 . LEU A1 1 13 ? -26.05 17.558 -24.785 1.0 62.23 ? 13 A 10 -ATOM 198 H HD12 . LEU A1 1 13 ? -27.171 18.097 -26.035 1.0 23.44 ? 13 A 10 -ATOM 199 H HD13 . LEU A1 1 13 ? -26.065 16.763 -26.359 1.0 25.55 ? 13 A 10 -ATOM 200 H HD21 . LEU A1 1 13 ? -29.275 16.447 -26.549 1.0 62.14 ? 13 A 10 -ATOM 201 H HD22 . LEU A1 1 13 ? -29.05 14.808 -25.937 1.0 41.34 ? 13 A 10 -ATOM 202 H HD23 . LEU A1 1 13 ? -27.897 15.485 -27.087 1.0 51.42 ? 13 A 10 -ATOM 203 N N . THR A1 1 14 ? -28.435 14.282 -21.401 1.0 31.41 ? 14 A 10 -ATOM 204 C CA . THR A1 1 14 ? -29.676 14.177 -20.644 1.0 30.33 ? 14 A 10 -ATOM 205 C C . THR A1 1 14 ? -29.525 14.782 -19.253 1.0 22.13 ? 14 A 10 -ATOM 206 O O . THR A1 1 14 ? -30.444 14.725 -18.438 1.0 5.31 ? 14 A 10 -ATOM 207 C CB . THR A1 1 14 ? -30.129 12.711 -20.508 1.0 34.54 ? 14 A 10 -ATOM 208 O OG1 . THR A1 1 14 ? -29.123 11.949 -19.831 1.0 3.22 ? 14 A 10 -ATOM 209 C CG2 . THR A1 1 14 ? -30.403 12.1 -21.874 1.0 34.11 ? 14 A 10 -ATOM 210 H H . THR A1 1 14 ? -27.806 13.53 -21.396 1.0 2.31 ? 14 A 10 -ATOM 211 H HA . THR A1 1 14 ? -30.441 14.72 -21.181 1.0 25.44 ? 14 A 10 -ATOM 212 H HB . THR A1 1 14 ? -31.041 12.685 -19.928 1.0 55.24 ? 14 A 10 -ATOM 213 H HG1 . THR A1 1 14 ? -29.446 11.058 -19.678 1.0 24.42 ? 14 A 10 -ATOM 214 H HG21 . THR A1 1 14 ? -29.681 12.471 -22.585 1.0 1.02 ? 14 A 10 -ATOM 215 H HG22 . THR A1 1 14 ? -31.398 12.371 -22.196 1.0 12.23 ? 14 A 10 -ATOM 216 H HG23 . THR A1 1 14 ? -30.326 11.025 -21.809 1.0 12.42 ? 14 A 10 -ATOM 217 N N . GLY A1 1 15 ? -28.359 15.364 -18.989 1.0 61.2 ? 15 A 10 -ATOM 218 C CA . GLY A1 1 15 ? -28.109 15.972 -17.695 1.0 25.44 ? 15 A 10 -ATOM 219 C C . GLY A1 1 15 ? -27.949 14.944 -16.593 1.0 2.34 ? 15 A 10 -ATOM 220 O O . GLY A1 1 15 ? -28.644 14.998 -15.578 1.0 24.03 ? 15 A 10 -ATOM 221 H H . GLY A1 1 15 ? -27.662 15.379 -19.679 1.0 73.22 ? 15 A 10 -ATOM 222 H HA2 . GLY A1 1 15 ? -27.207 16.563 -17.756 1.0 10.15 ? 15 A 10 -ATOM 223 H HA3 . GLY A1 1 15 ? -28.937 16.62 -17.45 1.0 23.53 ? 15 A 10 -ATOM 224 N N . LYS A1 1 16 ? -27.032 14.003 -16.791 1.0 11.21 ? 16 A 10 -ATOM 225 C CA . LYS A1 1 16 ? -26.783 12.957 -15.807 1.0 34.13 ? 16 A 10 -ATOM 226 C C . LYS A1 1 16 ? -25.299 12.878 -15.461 1.0 15.24 ? 16 A 10 -ATOM 227 O O . LYS A1 1 16 ? -24.451 12.745 -16.344 1.0 50.04 ? 16 A 10 -ATOM 228 C CB . LYS A1 1 16 ? -27.268 11.605 -16.335 1.0 31.42 ? 16 A 10 -ATOM 229 C CG . LYS A1 1 16 ? -27.696 10.643 -15.24 1.0 73.35 ? 16 A 10 -ATOM 230 C CD . LYS A1 1 16 ? -26.505 9.911 -14.644 1.0 50.3 ? 16 A 10 -ATOM 231 C CE . LYS A1 1 16 ? -25.919 8.908 -15.625 1.0 52.44 ? 16 A 10 -ATOM 232 N NZ . LYS A1 1 16 ? -26.238 7.505 -15.241 1.0 2.53 ? 16 A 10 -ATOM 233 H H . LYS A1 1 16 ? -26.51 14.013 -17.621 1.0 52.54 ? 16 A 10 -ATOM 234 H HA . LYS A1 1 16 ? -27.336 13.204 -14.913 1.0 34.34 ? 16 A 10 -ATOM 235 H HB2 . LYS A1 1 16 ? -28.11 11.769 -16.991 1.0 44.24 ? 16 A 10 -ATOM 236 H HB3 . LYS A1 1 16 ? -26.468 11.144 -16.897 1.0 12.13 ? 16 A 10 -ATOM 237 H HG2 . LYS A1 1 16 ? -28.192 11.198 -14.458 1.0 3.41 ? 16 A 10 -ATOM 238 H HG3 . LYS A1 1 16 ? -28.38 9.918 -15.659 1.0 74.14 ? 16 A 10 -ATOM 239 H HD2 . LYS A1 1 16 ? -25.744 10.631 -14.385 1.0 63.23 ? 16 A 10 -ATOM 240 H HD3 . LYS A1 1 16 ? -26.825 9.387 -13.754 1.0 14.51 ? 16 A 10 -ATOM 241 H HE2 . LYS A1 1 16 ? -26.324 9.104 -16.606 1.0 44.12 ? 16 A 10 -ATOM 242 H HE3 . LYS A1 1 16 ? -24.846 9.031 -15.647 1.0 75.31 ? 16 A 10 -ATOM 243 H HZ1 . LYS A1 1 16 ? -25.361 6.962 -15.109 1.0 61.55 ? 16 A 10 -ATOM 244 H HZ2 . LYS A1 1 16 ? -26.806 7.051 -15.986 1.0 23.15 ? 16 A 10 -ATOM 245 H HZ3 . LYS A1 1 16 ? -26.779 7.491 -14.353 1.0 43.23 ? 16 A 10 -ATOM 246 N N . THR A1 1 17 ? -24.992 12.959 -14.17 1.0 33.03 ? 17 A 10 -ATOM 247 C CA . THR A1 1 17 ? -23.611 12.896 -13.708 1.0 61.21 ? 17 A 10 -ATOM 248 C C . THR A1 1 17 ? -23.194 11.459 -13.416 1.0 13.11 ? 17 A 10 -ATOM 249 O O . THR A1 1 17 ? -23.771 10.799 -12.551 1.0 32.24 ? 17 A 10 -ATOM 250 C CB . THR A1 1 17 ? -23.403 13.746 -12.441 1.0 22.54 ? 17 A 10 -ATOM 251 O OG1 . THR A1 1 17 ? -24.573 13.69 -11.616 1.0 24.32 ? 17 A 10 -ATOM 252 C CG2 . THR A1 1 17 ? -23.101 15.193 -12.803 1.0 72.42 ? 17 A 10 -ATOM 253 H H . THR A1 1 17 ? -25.712 13.064 -13.514 1.0 63.53 ? 17 A 10 -ATOM 254 H HA . THR A1 1 17 ? -22.979 13.292 -14.49 1.0 15.15 ? 17 A 10 -ATOM 255 H HB . THR A1 1 17 ? -22.564 13.346 -11.89 1.0 61.22 ? 17 A 10 -ATOM 256 H HG1 . THR A1 1 17 ? -24.447 14.248 -10.844 1.0 54.0 ? 17 A 10 -ATOM 257 H HG21 . THR A1 1 17 ? -23.946 15.812 -12.542 1.0 31.34 ? 17 A 10 -ATOM 258 H HG22 . THR A1 1 17 ? -22.915 15.266 -13.865 1.0 12.24 ? 17 A 10 -ATOM 259 H HG23 . THR A1 1 17 ? -22.229 15.525 -12.261 1.0 74.01 ? 17 A 10 -ATOM 260 N N . ILE A1 1 18 ? -22.189 10.981 -14.141 1.0 21.15 ? 18 A 10 -ATOM 261 C CA . ILE A1 1 18 ? -21.694 9.622 -13.957 1.0 42.23 ? 18 A 10 -ATOM 262 C C . ILE A1 1 18 ? -20.214 9.621 -13.587 1.0 2.02 ? 18 A 10 -ATOM 263 O O . ILE A1 1 18 ? -19.438 10.438 -14.082 1.0 34.24 ? 18 A 10 -ATOM 264 C CB . ILE A1 1 18 ? -21.894 8.773 -15.227 1.0 20.13 ? 18 A 10 -ATOM 265 C CG1 . ILE A1 1 18 ? -21.082 7.479 -15.135 1.0 0.43 ? 18 A 10 -ATOM 266 C CG2 . ILE A1 1 18 ? -21.497 9.567 -16.462 1.0 34.34 ? 18 A 10 -ATOM 267 C CD1 . ILE A1 1 18 ? -21.46 6.454 -16.181 1.0 41.12 ? 18 A 10 -ATOM 268 H H . ILE A1 1 18 ? -21.769 11.555 -14.815 1.0 72.35 ? 18 A 10 -ATOM 269 H HA . ILE A1 1 18 ? -22.256 9.169 -13.153 1.0 33.1 ? 18 A 10 -ATOM 270 H HB . ILE A1 1 18 ? -22.942 8.528 -15.307 1.0 55.23 ? 18 A 10 -ATOM 271 H HG12 . ILE A1 1 18 ? -20.036 7.708 -15.258 1.0 35.45 ? 18 A 10 -ATOM 272 H HG13 . ILE A1 1 18 ? -21.237 7.035 -14.162 1.0 15.51 ? 18 A 10 -ATOM 273 H HG21 . ILE A1 1 18 ? -20.531 10.023 -16.302 1.0 31.24 ? 18 A 10 -ATOM 274 H HG22 . ILE A1 1 18 ? -21.445 8.905 -17.314 1.0 60.32 ? 18 A 10 -ATOM 275 H HG23 . ILE A1 1 18 ? -22.231 10.336 -16.648 1.0 71.44 ? 18 A 10 -ATOM 276 H HD11 . ILE A1 1 18 ? -20.604 5.831 -16.4 1.0 32.31 ? 18 A 10 -ATOM 277 H HD12 . ILE A1 1 18 ? -22.265 5.838 -15.808 1.0 60.24 ? 18 A 10 -ATOM 278 H HD13 . ILE A1 1 18 ? -21.777 6.958 -17.082 1.0 25.35 ? 18 A 10 -ATOM 279 N N . THR A1 1 19 ? -19.829 8.696 -12.713 1.0 42.32 ? 19 A 10 -ATOM 280 C CA . THR A1 1 19 ? -18.443 8.587 -12.276 1.0 41.24 ? 19 A 10 -ATOM 281 C C . THR A1 1 19 ? -17.816 7.284 -12.756 1.0 70.21 ? 19 A 10 -ATOM 282 O O . THR A1 1 19 ? -18.448 6.228 -12.715 1.0 44.42 ? 19 A 10 -ATOM 283 C CB . THR A1 1 19 ? -18.33 8.663 -10.741 1.0 2.4 ? 19 A 10 -ATOM 284 O OG1 . THR A1 1 19 ? -19.615 8.929 -10.168 1.0 22.32 ? 19 A 10 -ATOM 285 C CG2 . THR A1 1 19 ? -17.349 9.748 -10.324 1.0 13.14 ? 19 A 10 -ATOM 286 H H . THR A1 1 19 ? -20.495 8.073 -12.354 1.0 1.15 ? 19 A 10 -ATOM 287 H HA . THR A1 1 19 ? -17.895 9.417 -12.698 1.0 65.43 ? 19 A 10 -ATOM 288 H HB . THR A1 1 19 ? -17.97 7.713 -10.375 1.0 44.24 ? 19 A 10 -ATOM 289 H HG1 . THR A1 1 19 ? -19.505 9.251 -9.27 1.0 60.25 ? 19 A 10 -ATOM 290 H HG21 . THR A1 1 19 ? -17.302 10.505 -11.092 1.0 73.33 ? 19 A 10 -ATOM 291 H HG22 . THR A1 1 19 ? -16.37 9.315 -10.186 1.0 23.45 ? 19 A 10 -ATOM 292 H HG23 . THR A1 1 19 ? -17.679 10.195 -9.398 1.0 51.03 ? 19 A 10 -ATOM 293 N N . ILE A1 1 20 ? -16.57 7.364 -13.21 1.0 2.13 ? 20 A 10 -ATOM 294 C CA . ILE A1 1 20 ? -15.857 6.19 -13.696 1.0 23.24 ? 20 A 10 -ATOM 295 C C . ILE A1 1 20 ? -14.385 6.238 -13.303 1.0 21.51 ? 20 A 10 -ATOM 296 O O . ILE A1 1 20 ? -13.715 7.254 -13.487 1.0 3.54 ? 20 A 10 -ATOM 297 C CB . ILE A1 1 20 ? -15.963 6.06 -15.228 1.0 55.55 ? 20 A 10 -ATOM 298 C CG1 . ILE A1 1 20 ? -15.95 7.444 -15.88 1.0 1.5 ? 20 A 10 -ATOM 299 C CG2 . ILE A1 1 20 ? -17.225 5.301 -15.609 1.0 1.32 ? 20 A 10 -ATOM 300 C CD1 . ILE A1 1 20 ? -15.262 7.47 -17.227 1.0 2.4 ? 20 A 10 -ATOM 301 H H . ILE A1 1 20 ? -16.119 8.234 -13.217 1.0 32.52 ? 20 A 10 -ATOM 302 H HA . ILE A1 1 20 ? -16.31 5.316 -13.249 1.0 40.32 ? 20 A 10 -ATOM 303 H HB . ILE A1 1 20 ? -15.113 5.496 -15.579 1.0 75.22 ? 20 A 10 -ATOM 304 H HG12 . ILE A1 1 20 ? -16.965 7.78 -16.02 1.0 4.24 ? 20 A 10 -ATOM 305 H HG13 . ILE A1 1 20 ? -15.433 8.135 -15.23 1.0 20.02 ? 20 A 10 -ATOM 306 H HG21 . ILE A1 1 20 ? -17.106 4.877 -16.595 1.0 41.11 ? 20 A 10 -ATOM 307 H HG22 . ILE A1 1 20 ? -17.398 4.51 -14.895 1.0 51.34 ? 20 A 10 -ATOM 308 H HG23 . ILE A1 1 20 ? -18.067 5.978 -15.607 1.0 74.34 ? 20 A 10 -ATOM 309 H HD11 . ILE A1 1 20 ? -14.21 7.673 -17.09 1.0 44.23 ? 20 A 10 -ATOM 310 H HD12 . ILE A1 1 20 ? -15.382 6.513 -17.712 1.0 43.31 ? 20 A 10 -ATOM 311 H HD13 . ILE A1 1 20 ? -15.7 8.243 -17.841 1.0 23.14 ? 20 A 10 -ATOM 312 N N . ASP A1 1 21 ? -13.887 5.132 -12.761 1.0 44.41 ? 21 A 10 -ATOM 313 C CA . ASP A1 1 21 ? -12.492 5.046 -12.343 1.0 13.43 ? 21 A 10 -ATOM 314 C C . ASP A1 1 21 ? -11.589 4.718 -13.528 1.0 74.52 ? 21 A 10 -ATOM 315 O O . ASP A1 1 21 ? -11.759 3.691 -14.186 1.0 3.25 ? 21 A 10 -ATOM 316 C CB . ASP A1 1 21 ? -12.328 3.986 -11.252 1.0 40.32 ? 21 A 10 -ATOM 317 C CG . ASP A1 1 21 ? -12.688 2.596 -11.737 1.0 70.32 ? 21 A 10 -ATOM 318 O OD1 . ASP A1 1 21 ? -13.891 2.259 -11.734 1.0 34.41 ? 21 A 10 -ATOM 319 O OD2 . ASP A1 1 21 ? -11.767 1.845 -12.121 1.0 4.34 ? 21 A 10 -ATOM 320 H H . ASP A1 1 21 ? -14.471 4.354 -12.639 1.0 61.24 ? 21 A 10 -ATOM 321 H HA . ASP A1 1 21 ? -12.206 6.007 -11.944 1.0 0.1 ? 21 A 10 -ATOM 322 H HB2 . ASP A1 1 21 ? -11.3 3.977 -10.92 1.0 73.15 ? 21 A 10 -ATOM 323 H HB3 . ASP A1 1 21 ? -12.969 4.235 -10.419 1.0 61.23 ? 21 A 10 -ATOM 324 N N . VAL A1 1 22 ? -10.629 5.598 -13.796 1.0 30.34 ? 22 A 10 -ATOM 325 C CA . VAL A1 1 22 ? -9.699 5.402 -14.901 1.0 1.34 ? 22 A 10 -ATOM 326 C C . VAL A1 1 22 ? -8.265 5.686 -14.47 1.0 61.2 ? 22 A 10 -ATOM 327 O O . VAL A1 1 22 ? -8.029 6.307 -13.433 1.0 34.03 ? 22 A 10 -ATOM 328 C CB . VAL A1 1 22 ? -10.052 6.305 -16.098 1.0 60.13 ? 22 A 10 -ATOM 329 C CG1 . VAL A1 1 22 ? -11.507 6.741 -16.027 1.0 14.0 ? 22 A 10 -ATOM 330 C CG2 . VAL A1 1 22 ? -9.126 7.511 -16.145 1.0 61.12 ? 22 A 10 -ATOM 331 H H . VAL A1 1 22 ? -10.544 6.397 -13.235 1.0 71.0 ? 22 A 10 -ATOM 332 H HA . VAL A1 1 22 ? -9.772 4.372 -15.22 1.0 41.13 ? 22 A 10 -ATOM 333 H HB . VAL A1 1 22 ? -9.914 5.736 -17.006 1.0 23.42 ? 22 A 10 -ATOM 334 H HG11 . VAL A1 1 22 ? -11.639 7.42 -15.197 1.0 3.13 ? 22 A 10 -ATOM 335 H HG12 . VAL A1 1 22 ? -11.779 7.239 -16.946 1.0 11.12 ? 22 A 10 -ATOM 336 H HG13 . VAL A1 1 22 ? -12.136 5.875 -15.886 1.0 2.3 ? 22 A 10 -ATOM 337 H HG21 . VAL A1 1 22 ? -9.514 8.235 -16.846 1.0 43.3 ? 22 A 10 -ATOM 338 H HG22 . VAL A1 1 22 ? -9.066 7.956 -15.164 1.0 71.52 ? 22 A 10 -ATOM 339 H HG23 . VAL A1 1 22 ? -8.141 7.198 -16.459 1.0 24.41 ? 22 A 10 -ATOM 340 N N . ASP A1 1 23 ? -7.31 5.227 -15.271 1.0 73.14 ? 23 A 10 -ATOM 341 C CA . ASP A1 1 23 ? -5.897 5.433 -14.974 1.0 0.33 ? 23 A 10 -ATOM 342 C C . ASP A1 1 23 ? -5.248 6.335 -16.018 1.0 62.12 ? 23 A 10 -ATOM 343 O O . ASP A1 1 23 ? -5.693 6.395 -17.165 1.0 35.34 ? 23 A 10 -ATOM 344 C CB . ASP A1 1 23 ? -5.166 4.091 -14.915 1.0 24.44 ? 23 A 10 -ATOM 345 C CG . ASP A1 1 23 ? -4.4 3.905 -13.619 1.0 11.25 ? 23 A 10 -ATOM 346 O OD1 . ASP A1 1 23 ? -3.838 4.899 -13.115 1.0 71.52 ? 23 A 10 -ATOM 347 O OD2 . ASP A1 1 23 ? -4.362 2.765 -13.11 1.0 54.12 ? 23 A 10 -ATOM 348 H H . ASP A1 1 23 ? -7.561 4.739 -16.084 1.0 71.31 ? 23 A 10 -ATOM 349 H HA . ASP A1 1 23 ? -5.828 5.913 -14.009 1.0 62.03 ? 23 A 10 -ATOM 350 H HB2 . ASP A1 1 23 ? -5.887 3.291 -15.003 1.0 75.32 ? 23 A 10 -ATOM 351 H HB3 . ASP A1 1 23 ? -4.467 4.033 -15.737 1.0 32.1 ? 23 A 10 -ATOM 352 N N . HIS A1 1 24 ? -4.193 7.035 -15.614 1.0 3.42 ? 24 A 10 -ATOM 353 C CA . HIS A1 1 24 ? -3.482 7.935 -16.515 1.0 64.1 ? 24 A 10 -ATOM 354 C C . HIS A1 1 24 ? -2.906 7.171 -17.704 1.0 13.22 ? 24 A 10 -ATOM 355 O O . HIS A1 1 24 ? -2.526 7.766 -18.712 1.0 40.32 ? 24 A 10 -ATOM 356 C CB . HIS A1 1 24 ? -2.361 8.659 -15.768 1.0 43.52 ? 24 A 10 -ATOM 357 C CG . HIS A1 1 24 ? -1.216 7.767 -15.396 1.0 63.23 ? 24 A 10 -ATOM 358 N ND1 . HIS A1 1 24 ? -1.292 6.825 -14.392 1.0 33.23 ? 24 A 10 -ATOM 359 C CD2 . HIS A1 1 24 ? 0.036 7.677 -15.901 1.0 70.35 ? 24 A 10 -ATOM 360 C CE1 . HIS A1 1 24 ? -0.135 6.195 -14.294 1.0 52.22 ? 24 A 10 -ATOM 361 N NE2 . HIS A1 1 24 ? 0.688 6.693 -15.199 1.0 51.1 ? 24 A 10 -ATOM 362 H H . HIS A1 1 24 ? -3.885 6.944 -14.688 1.0 35.01 ? 24 A 10 -ATOM 363 H HA . HIS A1 1 24 ? -4.188 8.665 -16.881 1.0 52.33 ? 24 A 10 -ATOM 364 H HB2 . HIS A1 1 24 ? -1.974 9.451 -16.392 1.0 74.33 ? 24 A 10 -ATOM 365 H HB3 . HIS A1 1 24 ? -2.76 9.085 -14.859 1.0 2.24 ? 24 A 10 -ATOM 366 H HD1 . HIS A1 1 24 ? -2.076 6.646 -13.833 1.0 61.24 ? 24 A 10 -ATOM 367 H HD2 . HIS A1 1 24 ? 0.448 8.27 -16.706 1.0 14.35 ? 24 A 10 -ATOM 368 H HE1 . HIS A1 1 24 ? 0.099 5.407 -13.595 1.0 73.24 ? 24 A 10 -ATOM 369 N N . ALA A1 1 25 ? -2.844 5.849 -17.577 1.0 63.43 ? 25 A 10 -ATOM 370 C CA . ALA A1 1 25 ? -2.316 5.004 -18.641 1.0 43.32 ? 25 A 10 -ATOM 371 C C . ALA A1 1 25 ? -3.402 4.647 -19.649 1.0 33.54 ? 25 A 10 -ATOM 372 O O . ALA A1 1 25 ? -3.185 3.835 -20.549 1.0 12.23 ? 25 A 10 -ATOM 373 C CB . ALA A1 1 25 ? -1.701 3.741 -18.055 1.0 51.34 ? 25 A 10 -ATOM 374 H H . ALA A1 1 25 ? -3.162 5.433 -16.749 1.0 55.41 ? 25 A 10 -ATOM 375 H HA . ALA A1 1 25 ? -1.535 5.553 -19.147 1.0 23.12 ? 25 A 10 -ATOM 376 H HB1 . ALA A1 1 25 ? -2.418 3.262 -17.404 1.0 42.21 ? 25 A 10 -ATOM 377 H HB2 . ALA A1 1 25 ? -1.434 3.067 -18.855 1.0 3.14 ? 25 A 10 -ATOM 378 H HB3 . ALA A1 1 25 ? -0.818 3.999 -17.491 1.0 44.44 ? 25 A 10 -ATOM 379 N N . ASP A1 1 26 ? -4.571 5.258 -19.493 1.0 53.31 ? 26 A 10 -ATOM 380 C CA . ASP A1 1 26 ? -5.693 5.005 -20.391 1.0 71.32 ? 26 A 10 -ATOM 381 C C . ASP A1 1 26 ? -5.821 6.118 -21.427 1.0 31.24 ? 26 A 10 -ATOM 382 O O . ASP A1 1 26 ? -4.925 6.95 -21.575 1.0 53.43 ? 26 A 10 -ATOM 383 C CB . ASP A1 1 26 ? -6.993 4.88 -19.595 1.0 21.1 ? 26 A 10 -ATOM 384 C CG . ASP A1 1 26 ? -6.927 3.785 -18.548 1.0 73.54 ? 26 A 10 -ATOM 385 O OD1 . ASP A1 1 26 ? -6.059 3.87 -17.654 1.0 73.22 ? 26 A 10 -ATOM 386 O OD2 . ASP A1 1 26 ? -7.744 2.843 -18.623 1.0 2.02 ? 26 A 10 -ATOM 387 H H . ASP A1 1 26 ? -4.683 5.896 -18.757 1.0 73.33 ? 26 A 10 -ATOM 388 H HA . ASP A1 1 26 ? -5.504 4.074 -20.903 1.0 35.3 ? 26 A 10 -ATOM 389 H HB2 . ASP A1 1 26 ? -7.194 5.817 -19.096 1.0 71.15 ? 26 A 10 -ATOM 390 H HB3 . ASP A1 1 26 ? -7.802 4.657 -20.273 1.0 51.4 ? 26 A 10 -ATOM 391 N N . THR A1 1 27 ? -6.941 6.126 -22.142 1.0 11.22 ? 27 A 10 -ATOM 392 C CA . THR A1 1 27 ? -7.187 7.135 -23.166 1.0 12.11 ? 27 A 10 -ATOM 393 C C . THR A1 1 27 ? -8.671 7.468 -23.265 1.0 24.55 ? 27 A 10 -ATOM 394 O O . THR A1 1 27 ? -9.518 6.732 -22.759 1.0 14.34 ? 27 A 10 -ATOM 395 C CB . THR A1 1 27 ? -6.683 6.669 -24.545 1.0 24.42 ? 27 A 10 -ATOM 396 O OG1 . THR A1 1 27 ? -6.678 5.238 -24.607 1.0 51.41 ? 27 A 10 -ATOM 397 C CG2 . THR A1 1 27 ? -5.283 7.199 -24.818 1.0 72.22 ? 27 A 10 -ATOM 398 H H . THR A1 1 27 ? -7.618 5.437 -21.978 1.0 1.33 ? 27 A 10 -ATOM 399 H HA . THR A1 1 27 ? -6.645 8.028 -22.891 1.0 54.42 ? 27 A 10 -ATOM 400 H HB . THR A1 1 27 ? -7.351 7.052 -25.304 1.0 51.23 ? 27 A 10 -ATOM 401 H HG1 . THR A1 1 27 ? -5.902 4.901 -24.152 1.0 23.44 ? 27 A 10 -ATOM 402 H HG21 . THR A1 1 27 ? -4.934 6.82 -25.766 1.0 20.21 ? 27 A 10 -ATOM 403 H HG22 . THR A1 1 27 ? -4.616 6.874 -24.033 1.0 40.31 ? 27 A 10 -ATOM 404 H HG23 . THR A1 1 27 ? -5.307 8.278 -24.847 1.0 53.14 ? 27 A 10 -ATOM 405 N N . VAL A1 1 28 ? -8.98 8.581 -23.922 1.0 70.04 ? 28 A 10 -ATOM 406 C CA . VAL A1 1 28 ? -10.363 9.011 -24.089 1.0 40.12 ? 28 A 10 -ATOM 407 C C . VAL A1 1 28 ? -11.207 7.911 -24.723 1.0 43.3 ? 28 A 10 -ATOM 408 O O . VAL A1 1 28 ? -12.286 7.581 -24.232 1.0 51.44 ? 28 A 10 -ATOM 409 C CB . VAL A1 1 28 ? -10.456 10.28 -24.958 1.0 70.14 ? 28 A 10 -ATOM 410 C CG1 . VAL A1 1 28 ? -11.86 10.861 -24.907 1.0 13.41 ? 28 A 10 -ATOM 411 C CG2 . VAL A1 1 28 ? -9.428 11.307 -24.51 1.0 73.55 ? 28 A 10 -ATOM 412 H H . VAL A1 1 28 ? -8.261 9.127 -24.303 1.0 50.23 ? 28 A 10 -ATOM 413 H HA . VAL A1 1 28 ? -10.763 9.24 -23.112 1.0 62.42 ? 28 A 10 -ATOM 414 H HB . VAL A1 1 28 ? -10.24 10.007 -25.981 1.0 52.41 ? 28 A 10 -ATOM 415 H HG11 . VAL A1 1 28 ? -12.003 11.375 -23.967 1.0 72.32 ? 28 A 10 -ATOM 416 H HG12 . VAL A1 1 28 ? -11.992 11.556 -25.723 1.0 75.12 ? 28 A 10 -ATOM 417 H HG13 . VAL A1 1 28 ? -12.583 10.063 -24.993 1.0 43.12 ? 28 A 10 -ATOM 418 H HG21 . VAL A1 1 28 ? -9.934 12.191 -24.152 1.0 22.23 ? 28 A 10 -ATOM 419 H HG22 . VAL A1 1 28 ? -8.825 10.891 -23.717 1.0 21.24 ? 28 A 10 -ATOM 420 H HG23 . VAL A1 1 28 ? -8.793 11.57 -25.345 1.0 51.43 ? 28 A 10 -ATOM 421 N N . GLY A1 1 29 ? -10.708 7.347 -25.819 1.0 51.02 ? 29 A 10 -ATOM 422 C CA . GLY A1 1 29 ? -11.429 6.29 -26.503 1.0 24.21 ? 29 A 10 -ATOM 423 C C . GLY A1 1 29 ? -11.869 5.185 -25.563 1.0 62.32 ? 29 A 10 -ATOM 424 O O . GLY A1 1 29 ? -13.036 4.794 -25.557 1.0 1.41 ? 29 A 10 -ATOM 425 H H . GLY A1 1 29 ? -9.844 7.651 -26.166 1.0 25.44 ? 29 A 10 -ATOM 426 H HA2 . GLY A1 1 29 ? -12.302 6.713 -26.978 1.0 33.14 ? 29 A 10 -ATOM 427 H HA3 . GLY A1 1 29 ? -10.789 5.866 -27.262 1.0 61.11 ? 29 A 10 -ATOM 428 N N . ALA A1 1 30 ? -10.933 4.681 -24.766 1.0 0.3 ? 30 A 10 -ATOM 429 C CA . ALA A1 1 30 ? -11.23 3.615 -23.817 1.0 24.42 ? 30 A 10 -ATOM 430 C C . ALA A1 1 30 ? -12.301 4.05 -22.821 1.0 23.15 ? 30 A 10 -ATOM 431 O O . ALA A1 1 30 ? -13.182 3.269 -22.461 1.0 23.32 ? 30 A 10 -ATOM 432 C CB . ALA A1 1 30 ? -9.965 3.194 -23.084 1.0 4.23 ? 30 A 10 -ATOM 433 H H . ALA A1 1 30 ? -10.021 5.035 -24.817 1.0 13.0 ? 30 A 10 -ATOM 434 H HA . ALA A1 1 30 ? -11.595 2.764 -24.374 1.0 42.35 ? 30 A 10 -ATOM 435 H HB1 . ALA A1 1 30 ? -10.09 2.191 -22.701 1.0 24.3 ? 30 A 10 -ATOM 436 H HB2 . ALA A1 1 30 ? -9.129 3.218 -23.766 1.0 15.25 ? 30 A 10 -ATOM 437 H HB3 . ALA A1 1 30 ? -9.782 3.872 -22.264 1.0 54.13 ? 30 A 10 -ATOM 438 N N . VAL A1 1 31 ? -12.219 5.301 -22.379 1.0 44.02 ? 31 A 10 -ATOM 439 C CA . VAL A1 1 31 ? -13.181 5.839 -21.426 1.0 44.43 ? 31 A 10 -ATOM 440 C C . VAL A1 1 31 ? -14.586 5.864 -22.017 1.0 22.33 ? 31 A 10 -ATOM 441 O O . VAL A1 1 31 ? -15.56 5.516 -21.348 1.0 41.34 ? 31 A 10 -ATOM 442 C CB . VAL A1 1 31 ? -12.797 7.264 -20.984 1.0 42.01 ? 31 A 10 -ATOM 443 C CG1 . VAL A1 1 31 ? -13.863 7.845 -20.068 1.0 61.22 ? 31 A 10 -ATOM 444 C CG2 . VAL A1 1 31 ? -11.438 7.261 -20.3 1.0 34.2 ? 31 A 10 -ATOM 445 H H . VAL A1 1 31 ? -11.494 5.875 -22.703 1.0 33.11 ? 31 A 10 -ATOM 446 H HA . VAL A1 1 31 ? -13.179 5.202 -20.553 1.0 53.53 ? 31 A 10 -ATOM 447 H HB . VAL A1 1 31 ? -12.733 7.886 -21.864 1.0 34.14 ? 31 A 10 -ATOM 448 H HG11 . VAL A1 1 31 ? -14.495 8.516 -20.631 1.0 24.43 ? 31 A 10 -ATOM 449 H HG12 . VAL A1 1 31 ? -14.461 7.044 -19.658 1.0 62.24 ? 31 A 10 -ATOM 450 H HG13 . VAL A1 1 31 ? -13.389 8.388 -19.264 1.0 4.44 ? 31 A 10 -ATOM 451 H HG21 . VAL A1 1 31 ? -11.185 6.254 -20.005 1.0 32.4 ? 31 A 10 -ATOM 452 H HG22 . VAL A1 1 31 ? -10.691 7.634 -20.985 1.0 31.51 ? 31 A 10 -ATOM 453 H HG23 . VAL A1 1 31 ? -11.473 7.894 -19.426 1.0 2.41 ? 31 A 10 -ATOM 454 N N . LYS A1 1 32 ? -14.685 6.276 -23.276 1.0 44.33 ? 32 A 10 -ATOM 455 C CA . LYS A1 1 32 ? -15.971 6.345 -23.961 1.0 33.41 ? 32 A 10 -ATOM 456 C C . LYS A1 1 32 ? -16.682 4.996 -23.92 1.0 33.52 ? 32 A 10 -ATOM 457 O O . LYS A1 1 32 ? -17.89 4.928 -23.698 1.0 55.22 ? 32 A 10 -ATOM 458 C CB . LYS A1 1 32 ? -15.775 6.786 -25.413 1.0 21.43 ? 32 A 10 -ATOM 459 C CG . LYS A1 1 32 ? -16.397 8.136 -25.727 1.0 62.04 ? 32 A 10 -ATOM 460 C CD . LYS A1 1 32 ? -15.336 9.207 -25.921 1.0 13.3 ? 32 A 10 -ATOM 461 C CE . LYS A1 1 32 ? -15.247 9.647 -27.375 1.0 61.02 ? 32 A 10 -ATOM 462 N NZ . LYS A1 1 32 ? -16.522 10.252 -27.85 1.0 10.13 ? 32 A 10 -ATOM 463 H H . LYS A1 1 32 ? -13.872 6.54 -23.758 1.0 0.43 ? 32 A 10 -ATOM 464 H HA . LYS A1 1 32 ? -16.58 7.075 -23.45 1.0 20.21 ? 32 A 10 -ATOM 465 H HB2 . LYS A1 1 32 ? -14.717 6.844 -25.62 1.0 31.13 ? 32 A 10 -ATOM 466 H HB3 . LYS A1 1 32 ? -16.221 6.048 -26.064 1.0 51.43 ? 32 A 10 -ATOM 467 H HG2 . LYS A1 1 32 ? -16.978 8.053 -26.633 1.0 34.55 ? 32 A 10 -ATOM 468 H HG3 . LYS A1 1 32 ? -17.041 8.425 -24.909 1.0 75.31 ? 32 A 10 -ATOM 469 H HD2 . LYS A1 1 32 ? -15.585 10.063 -25.312 1.0 62.53 ? 32 A 10 -ATOM 470 H HD3 . LYS A1 1 32 ? -14.378 8.812 -25.615 1.0 34.24 ? 32 A 10 -ATOM 471 H HE2 . LYS A1 1 32 ? -14.456 10.375 -27.469 1.0 32.35 ? 32 A 10 -ATOM 472 H HE3 . LYS A1 1 32 ? -15.018 8.785 -27.984 1.0 31.14 ? 32 A 10 -ATOM 473 H HZ1 . LYS A1 1 32 ? -16.366 10.758 -28.744 1.0 3.34 ? 32 A 10 -ATOM 474 H HZ2 . LYS A1 1 32 ? -16.884 10.923 -27.142 1.0 11.13 ? 32 A 10 -ATOM 475 H HZ3 . LYS A1 1 32 ? -17.234 9.51 -28.003 1.0 13.55 ? 32 A 10 -ATOM 476 N N . ALA A1 1 33 ? -15.924 3.926 -24.133 1.0 34.21 ? 33 A 10 -ATOM 477 C CA . ALA A1 1 33 ? -16.481 2.579 -24.117 1.0 60.31 ? 33 A 10 -ATOM 478 C C . ALA A1 1 33 ? -17.027 2.228 -22.737 1.0 31.03 ? 33 A 10 -ATOM 479 O O . ALA A1 1 33 ? -18.1 1.636 -22.615 1.0 31.32 ? 33 A 10 -ATOM 480 C CB . ALA A1 1 33 ? -15.429 1.567 -24.543 1.0 54.24 ? 33 A 10 -ATOM 481 H H . ALA A1 1 33 ? -14.966 4.045 -24.305 1.0 43.1 ? 33 A 10 -ATOM 482 H HA . ALA A1 1 33 ? -17.29 2.544 -24.833 1.0 53.01 ? 33 A 10 -ATOM 483 H HB1 . ALA A1 1 33 ? -14.512 1.753 -24.003 1.0 2.33 ? 33 A 10 -ATOM 484 H HB2 . ALA A1 1 33 ? -15.78 0.569 -24.326 1.0 61.23 ? 33 A 10 -ATOM 485 H HB3 . ALA A1 1 33 ? -15.247 1.662 -25.603 1.0 53.23 ? 33 A 10 -ATOM 486 N N . LYS A1 1 34 ? -16.283 2.596 -21.7 1.0 30.14 ? 34 A 10 -ATOM 487 C CA . LYS A1 1 34 ? -16.692 2.321 -20.328 1.0 3.41 ? 34 A 10 -ATOM 488 C C . LYS A1 1 34 ? -18.027 2.989 -20.013 1.0 51.04 ? 34 A 10 -ATOM 489 O O . LYS A1 1 34 ? -18.889 2.399 -19.363 1.0 30.3 ? 34 A 10 -ATOM 490 C CB . LYS A1 1 34 ? -15.622 2.807 -19.348 1.0 63.02 ? 34 A 10 -ATOM 491 C CG . LYS A1 1 34 ? -15.965 2.541 -17.892 1.0 24.43 ? 34 A 10 -ATOM 492 C CD . LYS A1 1 34 ? -15.943 1.055 -17.577 1.0 44.42 ? 34 A 10 -ATOM 493 C CE . LYS A1 1 34 ? -14.548 0.472 -17.737 1.0 34.12 ? 34 A 10 -ATOM 494 N NZ . LYS A1 1 34 ? -14.444 -0.89 -17.143 1.0 13.0 ? 34 A 10 -ATOM 495 H H . LYS A1 1 34 ? -15.437 3.066 -21.862 1.0 65.25 ? 34 A 10 -ATOM 496 H HA . LYS A1 1 34 ? -16.805 1.252 -20.223 1.0 3.22 ? 34 A 10 -ATOM 497 H HB2 . LYS A1 1 34 ? -14.691 2.309 -19.573 1.0 71.03 ? 34 A 10 -ATOM 498 H HB3 . LYS A1 1 34 ? -15.491 3.872 -19.476 1.0 71.12 ? 34 A 10 -ATOM 499 H HG2 . LYS A1 1 34 ? -15.243 3.042 -17.264 1.0 24.23 ? 34 A 10 -ATOM 500 H HG3 . LYS A1 1 34 ? -16.953 2.929 -17.688 1.0 22.21 ? 34 A 10 -ATOM 501 H HD2 . LYS A1 1 34 ? -16.267 0.907 -16.557 1.0 63.43 ? 34 A 10 -ATOM 502 H HD3 . LYS A1 1 34 ? -16.617 0.543 -18.249 1.0 75.33 ? 34 A 10 -ATOM 503 H HE2 . LYS A1 1 34 ? -14.315 0.415 -18.79 1.0 34.14 ? 34 A 10 -ATOM 504 H HE3 . LYS A1 1 34 ? -13.84 1.124 -17.247 1.0 0.12 ? 34 A 10 -ATOM 505 H HZ1 . LYS A1 1 34 ? -14.375 -0.824 -16.108 1.0 62.42 ? 34 A 10 -ATOM 506 H HZ2 . LYS A1 1 34 ? -13.597 -1.374 -17.506 1.0 14.2 ? 34 A 10 -ATOM 507 H HZ3 . LYS A1 1 34 ? -15.283 -1.452 -17.389 1.0 65.2 ? 34 A 10 -ATOM 508 N N . ILE A1 1 35 ? -18.19 4.223 -20.48 1.0 14.42 ? 35 A 10 -ATOM 509 C CA . ILE A1 1 35 ? -19.42 4.969 -20.251 1.0 22.32 ? 35 A 10 -ATOM 510 C C . ILE A1 1 35 ? -20.579 4.377 -21.046 1.0 74.31 ? 35 A 10 -ATOM 511 O O . ILE A1 1 35 ? -21.719 4.357 -20.58 1.0 33.23 ? 35 A 10 -ATOM 512 C CB . ILE A1 1 35 ? -19.258 6.453 -20.629 1.0 42.5 ? 35 A 10 -ATOM 513 C CG1 . ILE A1 1 35 ? -18.084 7.071 -19.866 1.0 22.04 ? 35 A 10 -ATOM 514 C CG2 . ILE A1 1 35 ? -20.543 7.216 -20.345 1.0 45.14 ? 35 A 10 -ATOM 515 C CD1 . ILE A1 1 35 ? -18.193 6.92 -18.365 1.0 11.1 ? 35 A 10 -ATOM 516 H H . ILE A1 1 35 ? -17.466 4.64 -20.992 1.0 54.44 ? 35 A 10 -ATOM 517 H HA . ILE A1 1 35 ? -19.654 4.911 -19.197 1.0 30.01 ? 35 A 10 -ATOM 518 H HB . ILE A1 1 35 ? -19.06 6.512 -21.689 1.0 2.44 ? 35 A 10 -ATOM 519 H HG12 . ILE A1 1 35 ? -17.168 6.597 -20.181 1.0 3.24 ? 35 A 10 -ATOM 520 H HG13 . ILE A1 1 35 ? -18.035 8.127 -20.091 1.0 0.11 ? 35 A 10 -ATOM 521 H HG21 . ILE A1 1 35 ? -20.354 7.972 -19.596 1.0 65.32 ? 35 A 10 -ATOM 522 H HG22 . ILE A1 1 35 ? -20.889 7.689 -21.252 1.0 43.1 ? 35 A 10 -ATOM 523 H HG23 . ILE A1 1 35 ? -21.296 6.532 -19.985 1.0 75.41 ? 35 A 10 -ATOM 524 H HD11 . ILE A1 1 35 ? -17.422 6.249 -18.014 1.0 43.52 ? 35 A 10 -ATOM 525 H HD12 . ILE A1 1 35 ? -18.07 7.884 -17.895 1.0 71.15 ? 35 A 10 -ATOM 526 H HD13 . ILE A1 1 35 ? -19.162 6.516 -18.112 1.0 74.3 ? 35 A 10 -ATOM 527 N N . TYR A1 1 36 ? -20.28 3.895 -22.247 1.0 62.53 ? 36 A 10 -ATOM 528 C CA . TYR A1 1 36 ? -21.296 3.303 -23.108 1.0 64.44 ? 36 A 10 -ATOM 529 C C . TYR A1 1 36 ? -22.014 2.16 -22.396 1.0 53.42 ? 36 A 10 -ATOM 530 O O . TYR A1 1 36 ? -23.24 2.058 -22.442 1.0 34.33 ? 36 A 10 -ATOM 531 C CB . TYR A1 1 36 ? -20.663 2.794 -24.404 1.0 74.42 ? 36 A 10 -ATOM 532 C CG . TYR A1 1 36 ? -21.079 1.387 -24.769 1.0 43.51 ? 36 A 10 -ATOM 533 C CD1 . TYR A1 1 36 ? -22.358 1.12 -25.24 1.0 62.31 ? 36 A 10 -ATOM 534 C CD2 . TYR A1 1 36 ? -20.192 0.325 -24.642 1.0 22.21 ? 36 A 10 -ATOM 535 C CE1 . TYR A1 1 36 ? -22.743 -0.165 -25.574 1.0 25.24 ? 36 A 10 -ATOM 536 C CE2 . TYR A1 1 36 ? -20.568 -0.962 -24.975 1.0 24.41 ? 36 A 10 -ATOM 537 C CZ . TYR A1 1 36 ? -21.844 -1.202 -25.441 1.0 51.0 ? 36 A 10 -ATOM 538 O OH . TYR A1 1 36 ? -22.222 -2.483 -25.772 1.0 31.41 ? 36 A 10 -ATOM 539 H H . TYR A1 1 36 ? -19.353 3.94 -22.563 1.0 42.53 ? 36 A 10 -ATOM 540 H HA . TYR A1 1 36 ? -22.017 4.071 -23.348 1.0 45.34 ? 36 A 10 -ATOM 541 H HB2 . TYR A1 1 36 ? -20.95 3.445 -25.216 1.0 32.41 ? 36 A 10 -ATOM 542 H HB3 . TYR A1 1 36 ? -19.588 2.807 -24.301 1.0 73.31 ? 36 A 10 -ATOM 543 H HD1 . TYR A1 1 36 ? -23.061 1.934 -25.344 1.0 14.41 ? 36 A 10 -ATOM 544 H HD2 . TYR A1 1 36 ? -19.194 0.516 -24.277 1.0 73.43 ? 36 A 10 -ATOM 545 H HE1 . TYR A1 1 36 ? -23.742 -0.353 -25.939 1.0 30.0 ? 36 A 10 -ATOM 546 H HE2 . TYR A1 1 36 ? -19.864 -1.775 -24.87 1.0 11.1 ? 36 A 10 -ATOM 547 H HH . TYR A1 1 36 ? -22.805 -2.457 -26.534 1.0 20.21 ? 36 A 10 -ATOM 548 N N . ASP A1 1 37 ? -21.241 1.303 -21.739 1.0 31.31 ? 37 A 10 -ATOM 549 C CA . ASP A1 1 37 ? -21.801 0.168 -21.015 1.0 4.3 ? 37 A 10 -ATOM 550 C C . ASP A1 1 37 ? -22.444 0.62 -19.708 1.0 30.32 ? 37 A 10 -ATOM 551 O O . ASP A1 1 37 ? -23.441 0.051 -19.264 1.0 62.0 ? 37 A 10 -ATOM 552 C CB . ASP A1 1 37 ? -20.714 -0.87 -20.732 1.0 35.43 ? 37 A 10 -ATOM 553 C CG . ASP A1 1 37 ? -20.961 -2.179 -21.455 1.0 34.32 ? 37 A 10 -ATOM 554 O OD1 . ASP A1 1 37 ? -21.905 -2.901 -21.071 1.0 31.12 ? 37 A 10 -ATOM 555 O OD2 . ASP A1 1 37 ? -20.209 -2.483 -22.406 1.0 3.2 ? 37 A 10 -ATOM 556 H H . ASP A1 1 37 ? -20.27 1.438 -21.739 1.0 51.42 ? 37 A 10 -ATOM 557 H HA . ASP A1 1 37 ? -22.56 -0.281 -21.638 1.0 32.24 ? 37 A 10 -ATOM 558 H HB2 . ASP A1 1 37 ? -19.759 -0.479 -21.051 1.0 43.14 ? 37 A 10 -ATOM 559 H HB3 . ASP A1 1 37 ? -20.681 -1.067 -19.67 1.0 34.23 ? 37 A 10 -ATOM 560 N N . LYS A1 1 38 ? -21.865 1.646 -19.094 1.0 33.03 ? 38 A 10 -ATOM 561 C CA . LYS A1 1 38 ? -22.379 2.176 -17.837 1.0 33.5 ? 38 A 10 -ATOM 562 C C . LYS A1 1 38 ? -23.843 2.582 -17.976 1.0 62.1 ? 38 A 10 -ATOM 563 O O . LYS A1 1 38 ? -24.678 2.22 -17.148 1.0 13.24 ? 38 A 10 -ATOM 564 C CB . LYS A1 1 38 ? -21.546 3.379 -17.387 1.0 32.13 ? 38 A 10 -ATOM 565 C CG . LYS A1 1 38 ? -20.791 3.144 -16.091 1.0 11.13 ? 38 A 10 -ATOM 566 C CD . LYS A1 1 38 ? -19.332 2.807 -16.348 1.0 55.11 ? 38 A 10 -ATOM 567 C CE . LYS A1 1 38 ? -19.123 1.307 -16.488 1.0 12.13 ? 38 A 10 -ATOM 568 N NZ . LYS A1 1 38 ? -18.425 0.731 -15.306 1.0 62.42 ? 38 A 10 -ATOM 569 H H . LYS A1 1 38 ? -21.071 2.059 -19.497 1.0 40.1 ? 38 A 10 -ATOM 570 H HA . LYS A1 1 38 ? -22.304 1.398 -17.093 1.0 13.43 ? 38 A 10 -ATOM 571 H HB2 . LYS A1 1 38 ? -20.829 3.614 -18.16 1.0 53.44 ? 38 A 10 -ATOM 572 H HB3 . LYS A1 1 38 ? -22.204 4.225 -17.248 1.0 74.35 ? 38 A 10 -ATOM 573 H HG2 . LYS A1 1 38 ? -20.841 4.039 -15.488 1.0 72.35 ? 38 A 10 -ATOM 574 H HG3 . LYS A1 1 38 ? -21.252 2.324 -15.559 1.0 65.33 ? 38 A 10 -ATOM 575 H HD2 . LYS A1 1 38 ? -19.015 3.289 -17.261 1.0 31.44 ? 38 A 10 -ATOM 576 H HD3 . LYS A1 1 38 ? -18.736 3.169 -15.522 1.0 51.13 ? 38 A 10 -ATOM 577 H HE2 . LYS A1 1 38 ? -20.086 0.831 -16.594 1.0 72.24 ? 38 A 10 -ATOM 578 H HE3 . LYS A1 1 38 ? -18.53 1.12 -17.372 1.0 52.14 ? 38 A 10 -ATOM 579 H HZ1 . LYS A1 1 38 ? -17.863 -0.096 -15.59 1.0 12.21 ? 38 A 10 -ATOM 580 H HZ2 . LYS A1 1 38 ? -19.12 0.436 -14.59 1.0 31.3 ? 38 A 10 -ATOM 581 H HZ3 . LYS A1 1 38 ? -17.791 1.44 -14.885 1.0 72.13 ? 38 A 10 -ATOM 582 N N . GLU A1 1 39 ? -24.146 3.334 -19.03 1.0 74.33 ? 39 A 10 -ATOM 583 C CA . GLU A1 1 39 ? -25.51 3.788 -19.277 1.0 31.43 ? 39 A 10 -ATOM 584 C C . GLU A1 1 39 ? -26.159 2.977 -20.394 1.0 55.55 ? 39 A 10 -ATOM 585 O O . GLU A1 1 39 ? -27.217 2.377 -20.206 1.0 44.25 ? 39 A 10 -ATOM 586 C CB . GLU A1 1 39 ? -25.519 5.274 -19.64 1.0 31.12 ? 39 A 10 -ATOM 587 C CG . GLU A1 1 39 ? -24.295 6.029 -19.146 1.0 22.34 ? 39 A 10 -ATOM 588 C CD . GLU A1 1 39 ? -24.253 6.148 -17.635 1.0 34.02 ? 39 A 10 -ATOM 589 O OE1 . GLU A1 1 39 ? -24.41 5.112 -16.955 1.0 60.52 ? 39 A 10 -ATOM 590 O OE2 . GLU A1 1 39 ? -24.064 7.275 -17.133 1.0 24.54 ? 39 A 10 -ATOM 591 H H . GLU A1 1 39 ? -23.436 3.59 -19.655 1.0 53.12 ? 39 A 10 -ATOM 592 H HA . GLU A1 1 39 ? -26.076 3.645 -18.369 1.0 24.23 ? 39 A 10 -ATOM 593 H HB2 . GLU A1 1 39 ? -25.566 5.37 -20.714 1.0 13.32 ? 39 A 10 -ATOM 594 H HB3 . GLU A1 1 39 ? -26.396 5.732 -19.207 1.0 53.15 ? 39 A 10 -ATOM 595 H HG2 . GLU A1 1 39 ? -23.409 5.507 -19.476 1.0 73.51 ? 39 A 10 -ATOM 596 H HG3 . GLU A1 1 39 ? -24.305 7.022 -19.571 1.0 55.55 ? 39 A 10 -ATOM 597 N N . GLY A1 1 40 ? -25.517 2.964 -21.558 1.0 41.31 ? 40 A 10 -ATOM 598 C CA . GLY A1 1 40 ? -26.046 2.224 -22.689 1.0 23.2 ? 40 A 10 -ATOM 599 C C . GLY A1 1 40 ? -26.269 3.103 -23.904 1.0 54.31 ? 40 A 10 -ATOM 600 O O . GLY A1 1 40 ? -27.31 3.02 -24.556 1.0 62.35 ? 40 A 10 -ATOM 601 H H . GLY A1 1 40 ? -24.677 3.46 -21.65 1.0 1.31 ? 40 A 10 -ATOM 602 H HA2 . GLY A1 1 40 ? -25.352 1.439 -22.948 1.0 42.33 ? 40 A 10 -ATOM 603 H HA3 . GLY A1 1 40 ? -26.988 1.779 -22.404 1.0 42.25 ? 40 A 10 -ATOM 604 N N . ILE A1 1 41 ? -25.29 3.949 -24.208 1.0 11.45 ? 41 A 10 -ATOM 605 C CA . ILE A1 1 41 ? -25.385 4.847 -25.352 1.0 13.21 ? 41 A 10 -ATOM 606 C C . ILE A1 1 41 ? -24.237 4.617 -26.328 1.0 73.14 ? 41 A 10 -ATOM 607 O O . ILE A1 1 41 ? -23.176 4.105 -25.968 1.0 54.03 ? 41 A 10 -ATOM 608 C CB . ILE A1 1 41 ? -25.381 6.323 -24.91 1.0 13.54 ? 41 A 10 -ATOM 609 C CG1 . ILE A1 1 41 ? -24.33 6.549 -23.821 1.0 35.25 ? 41 A 10 -ATOM 610 C CG2 . ILE A1 1 41 ? -26.76 6.732 -24.416 1.0 15.54 ? 41 A 10 -ATOM 611 C CD1 . ILE A1 1 41 ? -23.651 7.898 -23.908 1.0 51.21 ? 41 A 10 -ATOM 612 H H . ILE A1 1 41 ? -24.485 3.969 -23.65 1.0 10.31 ? 41 A 10 -ATOM 613 H HA . ILE A1 1 41 ? -26.319 4.646 -25.857 1.0 22.4 ? 41 A 10 -ATOM 614 H HB . ILE A1 1 41 ? -25.137 6.931 -25.768 1.0 2.22 ? 41 A 10 -ATOM 615 H HG12 . ILE A1 1 41 ? -24.802 6.477 -22.854 1.0 53.25 ? 41 A 10 -ATOM 616 H HG13 . ILE A1 1 41 ? -23.568 5.787 -23.903 1.0 73.21 ? 41 A 10 -ATOM 617 H HG21 . ILE A1 1 41 ? -26.78 6.7 -23.337 1.0 41.34 ? 41 A 10 -ATOM 618 H HG22 . ILE A1 1 41 ? -26.979 7.735 -24.75 1.0 35.01 ? 41 A 10 -ATOM 619 H HG23 . ILE A1 1 41 ? -27.501 6.052 -24.81 1.0 24.24 ? 41 A 10 -ATOM 620 H HD11 . ILE A1 1 41 ? -23.533 8.176 -24.946 1.0 13.35 ? 41 A 10 -ATOM 621 H HD12 . ILE A1 1 41 ? -24.256 8.639 -23.405 1.0 5.02 ? 41 A 10 -ATOM 622 H HD13 . ILE A1 1 41 ? -22.681 7.844 -23.438 1.0 73.01 ? 41 A 10 -ATOM 623 N N . PRO A1 1 42 ? -24.45 5.004 -27.594 1.0 42.01 ? 42 A 10 -ATOM 624 C CA . PRO A1 1 42 ? -23.444 4.852 -28.649 1.0 63.34 ? 42 A 10 -ATOM 625 C C . PRO A1 1 42 ? -22.258 5.792 -28.458 1.0 4.23 ? 42 A 10 -ATOM 626 O O . PRO A1 1 42 ? -22.393 7.015 -28.484 1.0 21.54 ? 42 A 10 -ATOM 627 C CB . PRO A1 1 42 ? -24.21 5.211 -29.925 1.0 63.45 ? 42 A 10 -ATOM 628 C CG . PRO A1 1 42 ? -25.312 6.103 -29.467 1.0 31.23 ? 42 A 10 -ATOM 629 C CD . PRO A1 1 42 ? -25.691 5.621 -28.094 1.0 52.22 ? 42 A 10 -ATOM 630 H HA . PRO A1 1 42 ? -23.088 3.834 -28.714 1.0 60.32 ? 42 A 10 -ATOM 631 H HB2 . PRO A1 1 42 ? -23.549 5.719 -30.613 1.0 50.23 ? 42 A 10 -ATOM 632 H HB3 . PRO A1 1 42 ? -24.594 4.312 -30.383 1.0 64.01 ? 42 A 10 -ATOM 633 H HG2 . PRO A1 1 42 ? -24.964 7.124 -29.424 1.0 0.11 ? 42 A 10 -ATOM 634 H HG3 . PRO A1 1 42 ? -26.154 6.019 -30.138 1.0 1.1 ? 42 A 10 -ATOM 635 H HD2 . PRO A1 1 42 ? -25.986 6.452 -27.471 1.0 11.32 ? 42 A 10 -ATOM 636 H HD3 . PRO A1 1 42 ? -26.485 4.892 -28.155 1.0 34.03 ? 42 A 10 -ATOM 637 N N . PRO A1 1 43 ? -21.066 5.209 -28.262 1.0 1.41 ? 43 A 10 -ATOM 638 C CA . PRO A1 1 43 ? -19.832 5.976 -28.064 1.0 62.53 ? 43 A 10 -ATOM 639 C C . PRO A1 1 43 ? -19.384 6.69 -29.334 1.0 21.35 ? 43 A 10 -ATOM 640 O O . PRO A1 1 43 ? -18.741 7.739 -29.274 1.0 73.42 ? 43 A 10 -ATOM 641 C CB . PRO A1 1 43 ? -18.811 4.909 -27.662 1.0 74.43 ? 43 A 10 -ATOM 642 C CG . PRO A1 1 43 ? -19.331 3.645 -28.255 1.0 42.11 ? 43 A 10 -ATOM 643 C CD . PRO A1 1 43 ? -20.83 3.756 -28.219 1.0 32.53 ? 43 A 10 -ATOM 644 H HA . PRO A1 1 43 ? -19.937 6.696 -27.265 1.0 3.1 ? 43 A 10 -ATOM 645 H HB2 . PRO A1 1 43 ? -17.841 5.165 -28.063 1.0 1.2 ? 43 A 10 -ATOM 646 H HB3 . PRO A1 1 43 ? -18.756 4.845 -26.585 1.0 52.2 ? 43 A 10 -ATOM 647 H HG2 . PRO A1 1 43 ? -18.986 3.549 -29.273 1.0 21.5 ? 43 A 10 -ATOM 648 H HG3 . PRO A1 1 43 ? -19.004 2.801 -27.666 1.0 41.32 ? 43 A 10 -ATOM 649 H HD2 . PRO A1 1 43 ? -21.265 3.269 -29.079 1.0 55.24 ? 43 A 10 -ATOM 650 H HD3 . PRO A1 1 43 ? -21.218 3.33 -27.305 1.0 31.14 ? 43 A 10 -ATOM 651 N N . ASP A1 1 44 ? -19.727 6.117 -30.482 1.0 54.12 ? 44 A 10 -ATOM 652 C CA . ASP A1 1 44 ? -19.361 6.7 -31.768 1.0 51.34 ? 44 A 10 -ATOM 653 C C . ASP A1 1 44 ? -20.286 7.86 -32.122 1.0 65.34 ? 44 A 10 -ATOM 654 O O . ASP A1 1 44 ? -19.986 8.657 -33.01 1.0 41.23 ? 44 A 10 -ATOM 655 C CB . ASP A1 1 44 ? -19.41 5.638 -32.867 1.0 23.35 ? 44 A 10 -ATOM 656 C CG . ASP A1 1 44 ? -18.699 6.079 -34.131 1.0 52.14 ? 44 A 10 -ATOM 657 O OD1 . ASP A1 1 44 ? -17.656 6.756 -34.019 1.0 70.43 ? 44 A 10 -ATOM 658 O OD2 . ASP A1 1 44 ? -19.187 5.748 -35.232 1.0 15.14 ? 44 A 10 -ATOM 659 H H . ASP A1 1 44 ? -20.24 5.282 -30.465 1.0 64.31 ? 44 A 10 -ATOM 660 H HA . ASP A1 1 44 ? -18.351 7.074 -31.686 1.0 72.42 ? 44 A 10 -ATOM 661 H HB2 . ASP A1 1 44 ? -18.938 4.735 -32.507 1.0 64.21 ? 44 A 10 -ATOM 662 H HB3 . ASP A1 1 44 ? -20.441 5.428 -33.109 1.0 74.33 ? 44 A 10 -ATOM 663 N N . GLN A1 1 45 ? -21.413 7.946 -31.422 1.0 24.51 ? 45 A 10 -ATOM 664 C CA . GLN A1 1 45 ? -22.384 9.007 -31.665 1.0 55.1 ? 45 A 10 -ATOM 665 C C . GLN A1 1 45 ? -22.256 10.11 -30.62 1.0 65.33 ? 45 A 10 -ATOM 666 O O . GLN A1 1 45 ? -22.82 11.193 -30.776 1.0 0.12 ? 45 A 10 -ATOM 667 C CB . GLN A1 1 45 ? -23.804 8.44 -31.654 1.0 3.33 ? 45 A 10 -ATOM 668 C CG . GLN A1 1 45 ? -24.261 7.917 -33.007 1.0 71.05 ? 45 A 10 -ATOM 669 C CD . GLN A1 1 45 ? -25.17 6.709 -32.889 1.0 50.21 ? 45 A 10 -ATOM 670 O OE1 . GLN A1 1 45 ? -26.386 6.845 -32.747 1.0 30.33 ? 45 A 10 -ATOM 671 N NE2 . GLN A1 1 45 ? -24.584 5.519 -32.947 1.0 54.11 ? 45 A 10 -ATOM 672 H H . GLN A1 1 45 ? -21.597 7.28 -30.728 1.0 33.14 ? 45 A 10 -ATOM 673 H HA . GLN A1 1 45 ? -22.18 9.425 -32.639 1.0 54.13 ? 45 A 10 -ATOM 674 H HB2 . GLN A1 1 45 ? -23.85 7.628 -30.944 1.0 72.22 ? 45 A 10 -ATOM 675 H HB3 . GLN A1 1 45 ? -24.487 9.217 -31.344 1.0 51.24 ? 45 A 10 -ATOM 676 H HG2 . GLN A1 1 45 ? -24.796 8.702 -33.52 1.0 11.31 ? 45 A 10 -ATOM 677 H HG3 . GLN A1 1 45 ? -23.39 7.639 -33.583 1.0 33.23 ? 45 A 10 -ATOM 678 H HE21 . GLN A1 1 45 ? -23.611 5.488 -33.06 1.0 35.4 ? 45 A 10 -ATOM 679 H HE22 . GLN A1 1 45 ? -25.148 4.722 -32.873 1.0 53.4 ? 45 A 10 -ATOM 680 N N . GLN A1 1 46 ? -21.512 9.827 -29.555 1.0 5.34 ? 46 A 10 -ATOM 681 C CA . GLN A1 1 46 ? -21.313 10.796 -28.484 1.0 54.21 ? 46 A 10 -ATOM 682 C C . GLN A1 1 46 ? -19.903 11.378 -28.532 1.0 23.33 ? 46 A 10 -ATOM 683 O O . GLN A1 1 46 ? -18.989 10.769 -29.089 1.0 42.0 ? 46 A 10 -ATOM 684 C CB . GLN A1 1 46 ? -21.562 10.143 -27.124 1.0 54.1 ? 46 A 10 -ATOM 685 C CG . GLN A1 1 46 ? -20.639 8.97 -26.834 1.0 63.33 ? 46 A 10 -ATOM 686 C CD . GLN A1 1 46 ? -19.791 9.186 -25.597 1.0 73.34 ? 46 A 10 -ATOM 687 O OE1 . GLN A1 1 46 ? -20.041 8.594 -24.547 1.0 62.34 ? 46 A 10 -ATOM 688 N NE2 . GLN A1 1 46 ? -18.779 10.038 -25.714 1.0 52.51 ? 46 A 10 -ATOM 689 H H . GLN A1 1 46 ? -21.089 8.947 -29.488 1.0 61.13 ? 46 A 10 -ATOM 690 H HA . GLN A1 1 46 ? -22.023 11.597 -28.625 1.0 1.54 ? 46 A 10 -ATOM 691 H HB2 . GLN A1 1 46 ? -21.421 10.884 -26.351 1.0 70.34 ? 46 A 10 -ATOM 692 H HB3 . GLN A1 1 46 ? -22.581 9.788 -27.089 1.0 24.41 ? 46 A 10 -ATOM 693 H HG2 . GLN A1 1 46 ? -21.24 8.084 -26.689 1.0 71.34 ? 46 A 10 -ATOM 694 H HG3 . GLN A1 1 46 ? -19.985 8.826 -27.681 1.0 12.44 ? 46 A 10 -ATOM 695 H HE21 . GLN A1 1 46 ? -18.64 10.475 -26.581 1.0 61.21 ? 46 A 10 -ATOM 696 H HE22 . GLN A1 1 46 ? -18.215 10.198 -24.93 1.0 54.41 ? 46 A 10 -ATOM 697 N N . ARG A1 1 47 ? -19.735 12.558 -27.946 1.0 11.31 ? 47 A 10 -ATOM 698 C CA . ARG A1 1 47 ? -18.438 13.222 -27.923 1.0 74.42 ? 47 A 10 -ATOM 699 C C . ARG A1 1 47 ? -18.226 13.957 -26.603 1.0 0.05 ? 47 A 10 -ATOM 700 O O . ARG A1 1 47 ? -19.176 14.206 -25.859 1.0 62.43 ? 47 A 10 -ATOM 701 C CB . ARG A1 1 47 ? -18.323 14.205 -29.09 1.0 53.24 ? 47 A 10 -ATOM 702 C CG . ARG A1 1 47 ? -18.388 13.54 -30.455 1.0 25.13 ? 47 A 10 -ATOM 703 C CD . ARG A1 1 47 ? -19.808 13.521 -30.998 1.0 74.31 ? 47 A 10 -ATOM 704 N NE . ARG A1 1 47 ? -19.933 12.663 -32.173 1.0 72.02 ? 47 A 10 -ATOM 705 C CZ . ARG A1 1 47 ? -19.569 13.033 -33.396 1.0 4.33 ? 47 A 10 -ATOM 706 N NH1 . ARG A1 1 47 ? -19.06 14.239 -33.603 1.0 22.33 ? 47 A 10 -ATOM 707 N NH2 . ARG A1 1 47 ? -19.714 12.195 -34.415 1.0 24.44 ? 47 A 10 -ATOM 708 H H . ARG A1 1 47 ? -20.502 12.994 -27.519 1.0 14.32 ? 47 A 10 -ATOM 709 H HA . ARG A1 1 47 ? -17.675 12.465 -28.026 1.0 52.1 ? 47 A 10 -ATOM 710 H HB2 . ARG A1 1 47 ? -19.13 14.92 -29.024 1.0 12.43 ? 47 A 10 -ATOM 711 H HB3 . ARG A1 1 47 ? -17.382 14.728 -29.013 1.0 31.22 ? 47 A 10 -ATOM 712 H HG2 . ARG A1 1 47 ? -17.759 14.087 -31.142 1.0 2.15 ? 47 A 10 -ATOM 713 H HG3 . ARG A1 1 47 ? -18.032 12.525 -30.367 1.0 3.22 ? 47 A 10 -ATOM 714 H HD2 . ARG A1 1 47 ? -20.47 13.157 -30.227 1.0 62.34 ? 47 A 10 -ATOM 715 H HD3 . ARG A1 1 47 ? -20.09 14.528 -31.268 1.0 4.32 ? 47 A 10 -ATOM 716 H HE . ARG A1 1 47 ? -20.307 11.767 -32.043 1.0 51.12 ? 47 A 10 -ATOM 717 H HH11 . ARG A1 1 47 ? -18.948 14.872 -32.837 1.0 35.02 ? 47 A 10 -ATOM 718 H HH12 . ARG A1 1 47 ? -18.785 14.515 -34.524 1.0 42.25 ? 47 A 10 -ATOM 719 H HH21 . ARG A1 1 47 ? -20.097 11.285 -34.263 1.0 32.54 ? 47 A 10 -ATOM 720 H HH22 . ARG A1 1 47 ? -19.44 12.474 -35.334 1.0 51.04 ? 47 A 10 -ATOM 721 N N . LEU A1 1 48 ? -16.975 14.302 -26.317 1.0 13.42 ? 48 A 10 -ATOM 722 C CA . LEU A1 1 48 ? -16.638 15.008 -25.086 1.0 63.04 ? 48 A 10 -ATOM 723 C C . LEU A1 1 48 ? -16.316 16.472 -25.369 1.0 70.54 ? 48 A 10 -ATOM 724 O O . LEU A1 1 48 ? -15.748 16.803 -26.41 1.0 13.22 ? 48 A 10 -ATOM 725 C CB . LEU A1 1 48 ? -15.447 14.336 -24.4 1.0 73.22 ? 48 A 10 -ATOM 726 C CG . LEU A1 1 48 ? -15.363 12.816 -24.538 1.0 23.01 ? 48 A 10 -ATOM 727 C CD1 . LEU A1 1 48 ? -16.741 12.189 -24.389 1.0 2.23 ? 48 A 10 -ATOM 728 C CD2 . LEU A1 1 48 ? -14.744 12.435 -25.875 1.0 62.5 ? 48 A 10 -ATOM 729 H H . LEU A1 1 48 ? -16.261 14.077 -26.949 1.0 13.1 ? 48 A 10 -ATOM 730 H HA . LEU A1 1 48 ? -17.495 14.96 -24.431 1.0 5.14 ? 48 A 10 -ATOM 731 H HB2 . LEU A1 1 48 ? -14.545 14.756 -24.816 1.0 14.35 ? 48 A 10 -ATOM 732 H HB3 . LEU A1 1 48 ? -15.498 14.571 -23.346 1.0 62.22 ? 48 A 10 -ATOM 733 H HG . LEU A1 1 48 ? -14.732 12.423 -23.752 1.0 74.12 ? 48 A 10 -ATOM 734 H HD11 . LEU A1 1 48 ? -17.377 12.849 -23.819 1.0 72.12 ? 48 A 10 -ATOM 735 H HD12 . LEU A1 1 48 ? -16.652 11.243 -23.876 1.0 51.52 ? 48 A 10 -ATOM 736 H HD13 . LEU A1 1 48 ? -17.171 12.029 -25.367 1.0 50.13 ? 48 A 10 -ATOM 737 H HD21 . LEU A1 1 48 ? -14.196 11.51 -25.768 1.0 32.51 ? 48 A 10 -ATOM 738 H HD22 . LEU A1 1 48 ? -14.071 13.217 -26.195 1.0 4.35 ? 48 A 10 -ATOM 739 H HD23 . LEU A1 1 48 ? -15.525 12.309 -26.611 1.0 44.23 ? 48 A 10 -ATOM 740 N N . ILE A1 1 49 ? -16.682 17.343 -24.435 1.0 13.31 ? 49 A 10 -ATOM 741 C CA . ILE A1 1 49 ? -16.429 18.771 -24.582 1.0 13.25 ? 49 A 10 -ATOM 742 C C . ILE A1 1 49 ? -15.989 19.391 -23.26 1.0 73.24 ? 49 A 10 -ATOM 743 O O . ILE A1 1 49 ? -16.67 19.258 -22.243 1.0 20.41 ? 49 A 10 -ATOM 744 C CB . ILE A1 1 49 ? -17.678 19.514 -25.094 1.0 42.12 ? 49 A 10 -ATOM 745 C CG1 . ILE A1 1 49 ? -17.681 19.557 -26.623 1.0 21.4 ? 49 A 10 -ATOM 746 C CG2 . ILE A1 1 49 ? -17.73 20.922 -24.519 1.0 44.11 ? 49 A 10 -ATOM 747 C CD1 . ILE A1 1 49 ? -18.967 19.05 -27.239 1.0 30.32 ? 49 A 10 -ATOM 748 H H . ILE A1 1 49 ? -17.131 17.018 -23.627 1.0 11.12 ? 49 A 10 -ATOM 749 H HA . ILE A1 1 49 ? -15.638 18.897 -25.307 1.0 31.54 ? 49 A 10 -ATOM 750 H HB . ILE A1 1 49 ? -18.552 18.98 -24.753 1.0 10.22 ? 49 A 10 -ATOM 751 H HG12 . ILE A1 1 49 ? -17.537 20.575 -26.949 1.0 52.53 ? 49 A 10 -ATOM 752 H HG13 . ILE A1 1 49 ? -16.871 18.946 -26.995 1.0 23.14 ? 49 A 10 -ATOM 753 H HG21 . ILE A1 1 49 ? -16.75 21.371 -24.58 1.0 54.41 ? 49 A 10 -ATOM 754 H HG22 . ILE A1 1 49 ? -18.433 21.515 -25.084 1.0 2.4 ? 49 A 10 -ATOM 755 H HG23 . ILE A1 1 49 ? -18.042 20.878 -23.486 1.0 53.42 ? 49 A 10 -ATOM 756 H HD11 . ILE A1 1 49 ? -19.801 19.328 -26.61 1.0 43.14 ? 49 A 10 -ATOM 757 H HD12 . ILE A1 1 49 ? -19.094 19.487 -28.218 1.0 61.33 ? 49 A 10 -ATOM 758 H HD13 . ILE A1 1 49 ? -18.926 17.975 -27.326 1.0 3.14 ? 49 A 10 -ATOM 759 N N . PHE A1 1 50 ? -14.847 20.07 -23.283 1.0 0.44 ? 50 A 10 -ATOM 760 C CA . PHE A1 1 50 ? -14.316 20.712 -22.086 1.0 63.4 ? 50 A 10 -ATOM 761 C C . PHE A1 1 50 ? -13.979 22.175 -22.358 1.0 34.31 ? 50 A 10 -ATOM 762 O O . PHE A1 1 50 ? -13.167 22.486 -23.229 1.0 24.03 ? 50 A 10 -ATOM 763 C CB . PHE A1 1 50 ? -13.069 19.973 -21.596 1.0 1.31 ? 50 A 10 -ATOM 764 C CG . PHE A1 1 50 ? -12.754 20.223 -20.149 1.0 63.44 ? 50 A 10 -ATOM 765 C CD1 . PHE A1 1 50 ? -12.429 21.496 -19.707 1.0 63.22 ? 50 A 10 -ATOM 766 C CD2 . PHE A1 1 50 ? -12.783 19.187 -19.23 1.0 31.12 ? 50 A 10 -ATOM 767 C CE1 . PHE A1 1 50 ? -12.138 21.729 -18.376 1.0 44.05 ? 50 A 10 -ATOM 768 C CE2 . PHE A1 1 50 ? -12.493 19.414 -17.898 1.0 53.14 ? 50 A 10 -ATOM 769 C CZ . PHE A1 1 50 ? -12.171 20.687 -17.47 1.0 64.24 ? 50 A 10 -ATOM 770 H H . PHE A1 1 50 ? -14.349 20.141 -24.124 1.0 32.43 ? 50 A 10 -ATOM 771 H HA . PHE A1 1 50 ? -15.075 20.666 -21.321 1.0 55.42 ? 50 A 10 -ATOM 772 H HB2 . PHE A1 1 50 ? -13.215 18.911 -21.724 1.0 72.21 ? 50 A 10 -ATOM 773 H HB3 . PHE A1 1 50 ? -12.219 20.288 -22.181 1.0 52.42 ? 50 A 10 -ATOM 774 H HD1 . PHE A1 1 50 ? -12.404 22.312 -20.414 1.0 64.41 ? 50 A 10 -ATOM 775 H HD2 . PHE A1 1 50 ? -13.035 18.19 -19.564 1.0 25.0 ? 50 A 10 -ATOM 776 H HE1 . PHE A1 1 50 ? -11.887 22.725 -18.045 1.0 33.34 ? 50 A 10 -ATOM 777 H HE2 . PHE A1 1 50 ? -12.519 18.596 -17.192 1.0 34.14 ? 50 A 10 -ATOM 778 H HZ . PHE A1 1 50 ? -11.943 20.866 -16.43 1.0 42.2 ? 50 A 10 -ATOM 779 N N . GLY A1 1 51 ? -14.61 23.072 -21.605 1.0 53.44 ? 51 A 10 -ATOM 780 C CA . GLY A1 1 51 ? -14.365 24.491 -21.78 1.0 33.5 ? 51 A 10 -ATOM 781 C C . GLY A1 1 51 ? -14.886 25.011 -23.105 1.0 34.32 ? 51 A 10 -ATOM 782 O O . GLY A1 1 51 ? -14.634 26.157 -23.473 1.0 0.02 ? 51 A 10 -ATOM 783 H H . GLY A1 1 51 ? -15.247 22.766 -20.926 1.0 14.34 ? 51 A 10 -ATOM 784 H HA2 . GLY A1 1 51 ? -14.849 25.03 -20.979 1.0 71.3 ? 51 A 10 -ATOM 785 H HA3 . GLY A1 1 51 ? -13.301 24.67 -21.73 1.0 2.33 ? 51 A 10 -ATOM 786 N N . GLY A1 1 52 ? -15.615 24.163 -23.826 1.0 51.33 ? 52 A 10 -ATOM 787 C CA . GLY A1 1 52 ? -16.159 24.561 -25.111 1.0 70.11 ? 52 A 10 -ATOM 788 C C . GLY A1 1 52 ? -15.558 23.779 -26.263 1.0 64.35 ? 52 A 10 -ATOM 789 O O . GLY A1 1 52 ? -16.209 23.567 -27.286 1.0 21.12 ? 52 A 10 -ATOM 790 H H . GLY A1 1 52 ? -15.784 23.261 -23.483 1.0 52.33 ? 52 A 10 -ATOM 791 H HA2 . GLY A1 1 52 ? -17.227 24.404 -25.102 1.0 34.31 ? 52 A 10 -ATOM 792 H HA3 . GLY A1 1 52 ? -15.962 25.612 -25.264 1.0 33.12 ? 52 A 10 -ATOM 793 N N . LYS A1 1 53 ? -14.311 23.351 -26.097 1.0 4.12 ? 53 A 10 -ATOM 794 C CA . LYS A1 1 53 ? -13.621 22.588 -27.131 1.0 20.15 ? 53 A 10 -ATOM 795 C C . LYS A1 1 53 ? -13.776 21.089 -26.896 1.0 12.34 ? 53 A 10 -ATOM 796 O O . LYS A1 1 53 ? -13.843 20.635 -25.754 1.0 53.3 ? 53 A 10 -ATOM 797 C CB . LYS A1 1 53 ? -12.136 22.959 -27.161 1.0 12.13 ? 53 A 10 -ATOM 798 C CG . LYS A1 1 53 ? -11.449 22.828 -25.813 1.0 34.42 ? 53 A 10 -ATOM 799 C CD . LYS A1 1 53 ? -10.844 21.446 -25.628 1.0 44.0 ? 53 A 10 -ATOM 800 C CE . LYS A1 1 53 ? -9.721 21.191 -26.621 1.0 75.53 ? 53 A 10 -ATOM 801 N NZ . LYS A1 1 53 ? -8.58 20.469 -25.994 1.0 61.53 ? 53 A 10 -ATOM 802 H H . LYS A1 1 53 ? -13.844 23.551 -25.259 1.0 32.12 ? 53 A 10 -ATOM 803 H HA . LYS A1 1 53 ? -14.066 22.839 -28.082 1.0 74.23 ? 53 A 10 -ATOM 804 H HB2 . LYS A1 1 53 ? -11.631 22.314 -27.865 1.0 34.02 ? 53 A 10 -ATOM 805 H HB3 . LYS A1 1 53 ? -12.041 23.984 -27.492 1.0 32.22 ? 53 A 10 -ATOM 806 H HG2 . LYS A1 1 53 ? -10.662 23.565 -25.748 1.0 24.24 ? 53 A 10 -ATOM 807 H HG3 . LYS A1 1 53 ? -12.174 23.002 -25.031 1.0 53.0 ? 53 A 10 -ATOM 808 H HD2 . LYS A1 1 53 ? -10.449 21.367 -24.626 1.0 22.42 ? 53 A 10 -ATOM 809 H HD3 . LYS A1 1 53 ? -11.616 20.703 -25.772 1.0 0.05 ? 53 A 10 -ATOM 810 H HE2 . LYS A1 1 53 ? -10.107 20.599 -27.436 1.0 25.2 ? 53 A 10 -ATOM 811 H HE3 . LYS A1 1 53 ? -9.371 22.14 -27.0 1.0 75.24 ? 53 A 10 -ATOM 812 H HZ1 . LYS A1 1 53 ? -7.729 20.563 -26.584 1.0 1.33 ? 53 A 10 -ATOM 813 H HZ2 . LYS A1 1 53 ? -8.809 19.459 -25.893 1.0 14.14 ? 53 A 10 -ATOM 814 H HZ3 . LYS A1 1 53 ? -8.381 20.863 -25.053 1.0 31.25 ? 53 A 10 -ATOM 815 N N . GLN A1 1 54 ? -13.83 20.327 -27.983 1.0 32.1 ? 54 A 10 -ATOM 816 C CA . GLN A1 1 54 ? -13.976 18.879 -27.894 1.0 3.14 ? 54 A 10 -ATOM 817 C C . GLN A1 1 54 ? -12.679 18.229 -27.423 1.0 14.5 ? 54 A 10 -ATOM 818 O O . GLN A1 1 54 ? -11.622 18.861 -27.415 1.0 22.04 ? 54 A 10 -ATOM 819 C CB . GLN A1 1 54 ? -14.386 18.302 -29.25 1.0 14.03 ? 54 A 10 -ATOM 820 C CG . GLN A1 1 54 ? -15.837 17.852 -29.306 1.0 52.41 ? 54 A 10 -ATOM 821 C CD . GLN A1 1 54 ? -16.29 17.515 -30.713 1.0 44.23 ? 54 A 10 -ATOM 822 O OE1 . GLN A1 1 54 ? -17.342 17.97 -31.165 1.0 25.33 ? 54 A 10 -ATOM 823 N NE2 . GLN A1 1 54 ? -15.496 16.715 -31.415 1.0 63.1 ? 54 A 10 -ATOM 824 H H . GLN A1 1 54 ? -13.77 20.748 -28.865 1.0 52.11 ? 54 A 10 -ATOM 825 H HA . GLN A1 1 54 ? -14.752 18.668 -27.174 1.0 62.04 ? 54 A 10 -ATOM 826 H HB2 . GLN A1 1 54 ? -14.235 19.054 -30.009 1.0 31.24 ? 54 A 10 -ATOM 827 H HB3 . GLN A1 1 54 ? -13.76 17.45 -29.469 1.0 25.42 ? 54 A 10 -ATOM 828 H HG2 . GLN A1 1 54 ? -15.953 16.975 -28.687 1.0 52.11 ? 54 A 10 -ATOM 829 H HG3 . GLN A1 1 54 ? -16.461 18.646 -28.923 1.0 53.52 ? 54 A 10 -ATOM 830 H HE21 . GLN A1 1 54 ? -14.675 16.39 -30.989 1.0 45.55 ? 54 A 10 -ATOM 831 H HE22 . GLN A1 1 54 ? -15.765 16.48 -32.326 1.0 62.42 ? 54 A 10 -ATOM 832 N N . LEU A1 1 55 ? -12.766 16.963 -27.03 1.0 51.34 ? 55 A 10 -ATOM 833 C CA . LEU A1 1 55 ? -11.599 16.226 -26.557 1.0 40.45 ? 55 A 10 -ATOM 834 C C . LEU A1 1 55 ? -11.26 15.078 -27.502 1.0 63.5 ? 55 A 10 -ATOM 835 O O . LEU A1 1 55 ? -12.112 14.248 -27.815 1.0 52.11 ? 55 A 10 -ATOM 836 C CB . LEU A1 1 55 ? -11.85 15.685 -25.148 1.0 25.03 ? 55 A 10 -ATOM 837 C CG . LEU A1 1 55 ? -12.291 16.711 -24.104 1.0 41.33 ? 55 A 10 -ATOM 838 C CD1 . LEU A1 1 55 ? -12.344 16.078 -22.722 1.0 33.24 ? 55 A 10 -ATOM 839 C CD2 . LEU A1 1 55 ? -11.354 17.911 -24.106 1.0 52.23 ? 55 A 10 -ATOM 840 H H . LEU A1 1 55 ? -13.635 16.512 -27.059 1.0 12.34 ? 55 A 10 -ATOM 841 H HA . LEU A1 1 55 ? -10.765 16.911 -26.527 1.0 22.21 ? 55 A 10 -ATOM 842 H HB2 . LEU A1 1 55 ? -12.619 14.931 -25.216 1.0 55.1 ? 55 A 10 -ATOM 843 H HB3 . LEU A1 1 55 ? -10.933 15.231 -24.801 1.0 51.11 ? 55 A 10 -ATOM 844 H HG . LEU A1 1 55 ? -13.284 17.061 -24.348 1.0 72.12 ? 55 A 10 -ATOM 845 H HD11 . LEU A1 1 55 ? -11.383 15.647 -22.486 1.0 32.04 ? 55 A 10 -ATOM 846 H HD12 . LEU A1 1 55 ? -13.098 15.305 -22.71 1.0 44.35 ? 55 A 10 -ATOM 847 H HD13 . LEU A1 1 55 ? -12.591 16.832 -21.989 1.0 32.21 ? 55 A 10 -ATOM 848 H HD21 . LEU A1 1 55 ? -10.482 17.685 -24.701 1.0 33.14 ? 55 A 10 -ATOM 849 H HD22 . LEU A1 1 55 ? -11.052 18.133 -23.093 1.0 72.01 ? 55 A 10 -ATOM 850 H HD23 . LEU A1 1 55 ? -11.866 18.766 -24.525 1.0 74.33 ? 55 A 10 -ATOM 851 N N . GLU A1 1 56 ? -10.009 15.037 -27.95 1.0 12.02 ? 56 A 10 -ATOM 852 C CA . GLU A1 1 56 ? -9.557 13.99 -28.858 1.0 31.33 ? 56 A 10 -ATOM 853 C C . GLU A1 1 56 ? -9.589 12.626 -28.174 1.0 62.51 ? 56 A 10 -ATOM 854 O O . GLU A1 1 56 ? -10.042 12.501 -27.036 1.0 51.02 ? 56 A 10 -ATOM 855 C CB . GLU A1 1 56 ? -8.142 14.29 -29.355 1.0 62.01 ? 56 A 10 -ATOM 856 C CG . GLU A1 1 56 ? -7.99 15.677 -29.957 1.0 21.02 ? 56 A 10 -ATOM 857 C CD . GLU A1 1 56 ? -6.767 15.796 -30.846 1.0 1.0 ? 56 A 10 -ATOM 858 O OE1 . GLU A1 1 56 ? -6.055 14.785 -31.016 1.0 61.34 ? 56 A 10 -ATOM 859 O OE2 . GLU A1 1 56 ? -6.523 16.902 -31.373 1.0 22.01 ? 56 A 10 -ATOM 860 H H . GLU A1 1 56 ? -9.375 15.728 -27.664 1.0 72.43 ? 56 A 10 -ATOM 861 H HA . GLU A1 1 56 ? -10.229 13.971 -29.703 1.0 4.21 ? 56 A 10 -ATOM 862 H HB2 . GLU A1 1 56 ? -7.456 14.202 -28.526 1.0 41.11 ? 56 A 10 -ATOM 863 H HB3 . GLU A1 1 56 ? -7.876 13.563 -30.109 1.0 51.02 ? 56 A 10 -ATOM 864 H HG2 . GLU A1 1 56 ? -8.867 15.898 -30.546 1.0 71.31 ? 56 A 10 -ATOM 865 H HG3 . GLU A1 1 56 ? -7.905 16.396 -29.156 1.0 60.44 ? 56 A 10 -ATOM 866 N N . ASP A1 1 57 ? -9.106 11.607 -28.876 1.0 71.03 ? 57 A 10 -ATOM 867 C CA . ASP A1 1 57 ? -9.078 10.252 -28.338 1.0 63.41 ? 57 A 10 -ATOM 868 C C . ASP A1 1 57 ? -8.006 10.118 -27.261 1.0 21.4 ? 57 A 10 -ATOM 869 O O . ASP A1 1 57 ? -8.102 9.264 -26.379 1.0 43.31 ? 57 A 10 -ATOM 870 C CB . ASP A1 1 57 ? -8.823 9.241 -29.457 1.0 45.31 ? 57 A 10 -ATOM 871 C CG . ASP A1 1 57 ? -9.769 9.423 -30.628 1.0 55.43 ? 57 A 10 -ATOM 872 O OD1 . ASP A1 1 57 ? -9.522 10.325 -31.456 1.0 72.35 ? 57 A 10 -ATOM 873 O OD2 . ASP A1 1 57 ? -10.756 8.664 -30.717 1.0 15.11 ? 57 A 10 -ATOM 874 H H . ASP A1 1 57 ? -8.759 11.771 -29.779 1.0 23.12 ? 57 A 10 -ATOM 875 H HA . ASP A1 1 57 ? -10.042 10.051 -27.896 1.0 62.14 ? 57 A 10 -ATOM 876 H HB2 . ASP A1 1 57 ? -7.811 9.357 -29.815 1.0 24.44 ? 57 A 10 -ATOM 877 H HB3 . ASP A1 1 57 ? -8.951 8.242 -29.066 1.0 64.03 ? 57 A 10 -ATOM 878 N N . SER A1 1 58 ? -6.986 10.966 -27.339 1.0 32.51 ? 58 A 10 -ATOM 879 C CA . SER A1 1 58 ? -5.893 10.938 -26.373 1.0 62.24 ? 58 A 10 -ATOM 880 C C . SER A1 1 58 ? -5.931 12.171 -25.476 1.0 2.12 ? 58 A 10 -ATOM 881 O O . SER A1 1 58 ? -5.049 12.373 -24.642 1.0 12.21 ? 58 A 10 -ATOM 882 C CB . SER A1 1 58 ? -4.547 10.861 -27.097 1.0 65.11 ? 58 A 10 -ATOM 883 O OG . SER A1 1 58 ? -3.482 10.704 -26.175 1.0 34.21 ? 58 A 10 -ATOM 884 H H . SER A1 1 58 ? -6.966 11.624 -28.065 1.0 21.03 ? 58 A 10 -ATOM 885 H HA . SER A1 1 58 ? -6.014 10.058 -25.761 1.0 33.55 ? 58 A 10 -ATOM 886 H HB2 . SER A1 1 58 ? -4.551 10.017 -27.77 1.0 31.42 ? 58 A 10 -ATOM 887 H HB3 . SER A1 1 58 ? -4.391 11.77 -27.659 1.0 40.4 ? 58 A 10 -ATOM 888 H HG . SER A1 1 58 ? -2.75 11.27 -26.433 1.0 10.23 ? 58 A 10 -ATOM 889 N N . ASN A1 1 59 ? -6.959 12.994 -25.653 1.0 35.41 ? 59 A 10 -ATOM 890 C CA . ASN A1 1 59 ? -7.113 14.208 -24.86 1.0 52.34 ? 59 A 10 -ATOM 891 C C . ASN A1 1 59 ? -7.797 13.906 -23.53 1.0 4.01 ? 59 A 10 -ATOM 892 O O . ASN A1 1 59 ? -8.986 14.173 -23.358 1.0 42.21 ? 59 A 10 -ATOM 893 C CB . ASN A1 1 59 ? -7.92 15.251 -25.637 1.0 21.1 ? 59 A 10 -ATOM 894 C CG . ASN A1 1 59 ? -7.801 16.638 -25.037 1.0 14.54 ? 59 A 10 -ATOM 895 O OD1 . ASN A1 1 59 ? -8.328 16.907 -23.957 1.0 24.42 ? 59 A 10 -ATOM 896 N ND2 . ASN A1 1 59 ? -7.106 17.528 -25.736 1.0 14.44 ? 59 A 10 -ATOM 897 H H . ASN A1 1 59 ? -7.631 12.78 -26.334 1.0 5.51 ? 59 A 10 -ATOM 898 H HA . ASN A1 1 59 ? -6.127 14.602 -24.664 1.0 74.51 ? 59 A 10 -ATOM 899 H HB2 . ASN A1 1 59 ? -7.562 15.288 -26.655 1.0 43.43 ? 59 A 10 -ATOM 900 H HB3 . ASN A1 1 59 ? -8.961 14.966 -25.635 1.0 11.21 ? 59 A 10 -ATOM 901 H HD21 . ASN A1 1 59 ? -6.715 17.243 -26.589 1.0 21.33 ? 59 A 10 -ATOM 902 H HD22 . ASN A1 1 59 ? -7.013 18.432 -25.372 1.0 12.0 ? 59 A 10 -ATOM 903 N N . ALA A1 1 60 ? -7.037 13.35 -22.593 1.0 13.11 ? 60 A 10 -ATOM 904 C CA . ALA A1 1 60 ? -7.568 13.014 -21.278 1.0 35.51 ? 60 A 10 -ATOM 905 C C . ALA A1 1 60 ? -6.457 12.565 -20.335 1.0 74.01 ? 60 A 10 -ATOM 906 O O . ALA A1 1 60 ? -5.97 13.347 -19.518 1.0 74.24 ? 60 A 10 -ATOM 907 C CB . ALA A1 1 60 ? -8.63 11.931 -21.398 1.0 64.13 ? 60 A 10 -ATOM 908 H H . ALA A1 1 60 ? -6.096 13.161 -22.791 1.0 31.12 ? 60 A 10 -ATOM 909 H HA . ALA A1 1 60 ? -8.036 13.899 -20.871 1.0 20.01 ? 60 A 10 -ATOM 910 H HB1 . ALA A1 1 60 ? -8.199 11.056 -21.862 1.0 72.33 ? 60 A 10 -ATOM 911 H HB2 . ALA A1 1 60 ? -8.996 11.675 -20.415 1.0 25.02 ? 60 A 10 -ATOM 912 H HB3 . ALA A1 1 60 ? -9.447 12.295 -22.004 1.0 51.02 ? 60 A 10 -ATOM 913 N N . MET A1 1 61 ? -6.061 11.302 -20.453 1.0 21.52 ? 61 A 10 -ATOM 914 C CA . MET A1 1 61 ? -5.006 10.75 -19.611 1.0 32.03 ? 61 A 10 -ATOM 915 C C . MET A1 1 61 ? -3.639 11.276 -20.037 1.0 55.14 ? 61 A 10 -ATOM 916 O O . MET A1 1 61 ? -2.93 11.898 -19.246 1.0 73.23 ? 61 A 10 -ATOM 917 C CB . MET A1 1 61 ? -5.021 9.222 -19.675 1.0 33.12 ? 61 A 10 -ATOM 918 C CG . MET A1 1 61 ? -6.419 8.627 -19.685 1.0 10.31 ? 61 A 10 -ATOM 919 S SD . MET A1 1 61 ? -7.479 9.322 -18.403 1.0 3.45 ? 61 A 10 -ATOM 920 C CE . MET A1 1 61 ? -9.075 9.266 -19.215 1.0 11.34 ? 61 A 10 -ATOM 921 H H . MET A1 1 61 ? -6.487 10.727 -21.123 1.0 44.35 ? 61 A 10 -ATOM 922 H HA . MET A1 1 61 ? -5.198 11.061 -18.595 1.0 14.21 ? 61 A 10 -ATOM 923 H HB2 . MET A1 1 61 ? -4.512 8.906 -20.574 1.0 14.23 ? 61 A 10 -ATOM 924 H HB3 . MET A1 1 61 ? -4.494 8.832 -18.817 1.0 0.24 ? 61 A 10 -ATOM 925 H HG2 . MET A1 1 61 ? -6.871 8.818 -20.647 1.0 62.14 ? 61 A 10 -ATOM 926 H HG3 . MET A1 1 61 ? -6.343 7.56 -19.532 1.0 32.0 ? 61 A 10 -ATOM 927 H HE1 . MET A1 1 61 ? -9.645 8.433 -18.83 1.0 54.23 ? 61 A 10 -ATOM 928 H HE2 . MET A1 1 61 ? -9.608 10.185 -19.024 1.0 64.31 ? 61 A 10 -ATOM 929 H HE3 . MET A1 1 61 ? -8.933 9.145 -20.278 1.0 24.11 ? 61 A 10 -ATOM 930 N N . SER A1 1 62 ? -3.276 11.022 -21.29 1.0 73.15 ? 62 A 10 -ATOM 931 C CA . SER A1 1 62 ? -1.992 11.466 -21.819 1.0 12.22 ? 62 A 10 -ATOM 932 C C . SER A1 1 62 ? -1.85 12.98 -21.699 1.0 13.52 ? 62 A 10 -ATOM 933 O O . SER A1 1 62 ? -0.751 13.498 -21.499 1.0 42.51 ? 62 A 10 -ATOM 934 C CB . SER A1 1 62 ? -1.846 11.043 -23.282 1.0 62.33 ? 62 A 10 -ATOM 935 O OG . SER A1 1 62 ? -1.165 9.805 -23.389 1.0 14.13 ? 62 A 10 -ATOM 936 H H . SER A1 1 62 ? -3.886 10.521 -21.871 1.0 74.25 ? 62 A 10 -ATOM 937 H HA . SER A1 1 62 ? -1.213 10.996 -21.237 1.0 74.15 ? 62 A 10 -ATOM 938 H HB2 . SER A1 1 62 ? -2.825 10.941 -23.724 1.0 54.41 ? 62 A 10 -ATOM 939 H HB3 . SER A1 1 62 ? -1.285 11.796 -23.817 1.0 23.45 ? 62 A 10 -ATOM 940 H HG . SER A1 1 62 ? -0.635 9.799 -24.19 1.0 1.23 ? 62 A 10 -ATOM 941 N N . ASP A1 1 63 ? -2.969 13.685 -21.822 1.0 34.33 ? 63 A 10 -ATOM 942 C CA . ASP A1 1 63 ? -2.971 15.14 -21.727 1.0 10.21 ? 63 A 10 -ATOM 943 C C . ASP A1 1 63 ? -2.497 15.595 -20.35 1.0 63.54 ? 63 A 10 -ATOM 944 O O . ASP A1 1 63 ? -1.999 16.71 -20.191 1.0 31.33 ? 63 A 10 -ATOM 945 C CB . ASP A1 1 63 ? -4.372 15.689 -22.004 1.0 21.1 ? 63 A 10 -ATOM 946 C CG . ASP A1 1 63 ? -4.347 17.135 -22.457 1.0 12.2 ? 63 A 10 -ATOM 947 O OD1 . ASP A1 1 63 ? -3.265 17.615 -22.854 1.0 53.24 ? 63 A 10 -ATOM 948 O OD2 . ASP A1 1 63 ? -5.411 17.787 -22.416 1.0 3.13 ? 63 A 10 -ATOM 949 H H . ASP A1 1 63 ? -3.815 13.215 -21.981 1.0 14.4 ? 63 A 10 -ATOM 950 H HA . ASP A1 1 63 ? -2.291 15.522 -22.473 1.0 72.42 ? 63 A 10 -ATOM 951 H HB2 . ASP A1 1 63 ? -4.837 15.096 -22.779 1.0 63.34 ? 63 A 10 -ATOM 952 H HB3 . ASP A1 1 63 ? -4.962 15.622 -21.102 1.0 44.51 ? 63 A 10 -ATOM 953 N N . TYR A1 1 64 ? -2.654 14.725 -19.359 1.0 43.15 ? 64 A 10 -ATOM 954 C CA . TYR A1 1 64 ? -2.245 15.039 -17.995 1.0 74.44 ? 64 A 10 -ATOM 955 C C . TYR A1 1 64 ? -3.274 15.933 -17.309 1.0 35.31 ? 64 A 10 -ATOM 956 O O . TYR A1 1 64 ? -2.945 16.692 -16.399 1.0 63.11 ? 64 A 10 -ATOM 957 C CB . TYR A1 1 64 ? -0.878 15.723 -17.995 1.0 41.31 ? 64 A 10 -ATOM 958 C CG . TYR A1 1 64 ? 0.071 15.181 -16.95 1.0 35.31 ? 64 A 10 -ATOM 959 C CD1 . TYR A1 1 64 ? -0.32 15.065 -15.622 1.0 10.21 ? 64 A 10 -ATOM 960 C CD2 . TYR A1 1 64 ? 1.359 14.785 -17.29 1.0 61.0 ? 64 A 10 -ATOM 961 C CE1 . TYR A1 1 64 ? 0.544 14.57 -14.663 1.0 31.32 ? 64 A 10 -ATOM 962 C CE2 . TYR A1 1 64 ? 2.228 14.288 -16.339 1.0 3.01 ? 64 A 10 -ATOM 963 C CZ . TYR A1 1 64 ? 1.816 14.183 -15.027 1.0 35.43 ? 64 A 10 -ATOM 964 O OH . TYR A1 1 64 ? 2.68 13.69 -14.076 1.0 23.32 ? 64 A 10 -ATOM 965 H H . TYR A1 1 64 ? -3.057 13.852 -19.548 1.0 10.22 ? 64 A 10 -ATOM 966 H HA . TYR A1 1 64 ? -2.172 14.11 -17.449 1.0 40.51 ? 64 A 10 -ATOM 967 H HB2 . TYR A1 1 64 ? -0.416 15.591 -18.961 1.0 75.32 ? 64 A 10 -ATOM 968 H HB3 . TYR A1 1 64 ? -1.011 16.779 -17.806 1.0 32.34 ? 64 A 10 -ATOM 969 H HD1 . TYR A1 1 64 ? -1.317 15.369 -15.34 1.0 1.35 ? 64 A 10 -ATOM 970 H HD2 . TYR A1 1 64 ? 1.678 14.869 -18.319 1.0 32.41 ? 64 A 10 -ATOM 971 H HE1 . TYR A1 1 64 ? 0.222 14.488 -13.636 1.0 52.21 ? 64 A 10 -ATOM 972 H HE2 . TYR A1 1 64 ? 3.225 13.985 -16.624 1.0 43.14 ? 64 A 10 -ATOM 973 H HH . TYR A1 1 64 ? 3.217 12.993 -14.462 1.0 23.33 ? 64 A 10 -ATOM 974 N N . ASN A1 1 65 ? -4.523 15.836 -17.754 1.0 61.21 ? 65 A 10 -ATOM 975 C CA . ASN A1 1 65 ? -5.601 16.635 -17.185 1.0 70.22 ? 65 A 10 -ATOM 976 C C . ASN A1 1 65 ? -6.6 15.752 -16.443 1.0 21.44 ? 65 A 10 -ATOM 977 O O . ASN A1 1 65 ? -7.697 16.191 -16.097 1.0 22.24 ? 65 A 10 -ATOM 978 C CB . ASN A1 1 65 ? -6.318 17.421 -18.285 1.0 30.31 ? 65 A 10 -ATOM 979 C CG . ASN A1 1 65 ? -7.157 18.556 -17.732 1.0 75.23 ? 65 A 10 -ATOM 980 O OD1 . ASN A1 1 65 ? -8.372 18.426 -17.577 1.0 74.2 ? 65 A 10 -ATOM 981 N ND2 . ASN A1 1 65 ? -6.512 19.677 -17.43 1.0 12.4 ? 65 A 10 -ATOM 982 H H . ASN A1 1 65 ? -4.724 15.212 -18.483 1.0 72.01 ? 65 A 10 -ATOM 983 H HA . ASN A1 1 65 ? -5.164 17.331 -16.484 1.0 43.44 ? 65 A 10 -ATOM 984 H HB2 . ASN A1 1 65 ? -5.582 17.838 -18.958 1.0 12.24 ? 65 A 10 -ATOM 985 H HB3 . ASN A1 1 65 ? -6.964 16.753 -18.834 1.0 73.02 ? 65 A 10 -ATOM 986 H HD21 . ASN A1 1 65 ? -5.544 19.709 -17.58 1.0 23.44 ? 65 A 10 -ATOM 987 H HD22 . ASN A1 1 65 ? -7.03 20.427 -17.07 1.0 32.24 ? 65 A 10 -ATOM 988 N N . VAL A1 1 66 ? -6.212 14.503 -16.201 1.0 11.4 ? 66 A 10 -ATOM 989 C CA . VAL A1 1 66 ? -7.072 13.558 -15.499 1.0 70.45 ? 66 A 10 -ATOM 990 C C . VAL A1 1 66 ? -6.853 13.631 -13.992 1.0 73.11 ? 66 A 10 -ATOM 991 O O . VAL A1 1 66 ? -5.731 13.477 -13.511 1.0 33.12 ? 66 A 10 -ATOM 992 C CB . VAL A1 1 66 ? -6.823 12.114 -15.974 1.0 40.11 ? 66 A 10 -ATOM 993 C CG1 . VAL A1 1 66 ? -5.395 11.689 -15.667 1.0 32.21 ? 66 A 10 -ATOM 994 C CG2 . VAL A1 1 66 ? -7.821 11.163 -15.331 1.0 25.13 ? 66 A 10 -ATOM 995 H H . VAL A1 1 66 ? -5.326 14.212 -16.502 1.0 25.31 ? 66 A 10 -ATOM 996 H HA . VAL A1 1 66 ? -8.098 13.815 -15.717 1.0 44.24 ? 66 A 10 -ATOM 997 H HB . VAL A1 1 66 ? -6.963 12.079 -17.044 1.0 65.05 ? 66 A 10 -ATOM 998 H HG11 . VAL A1 1 66 ? -5.165 10.783 -16.208 1.0 62.5 ? 66 A 10 -ATOM 999 H HG12 . VAL A1 1 66 ? -4.714 12.472 -15.967 1.0 4.5 ? 66 A 10 -ATOM 1000 H HG13 . VAL A1 1 66 ? -5.294 11.51 -14.607 1.0 12.32 ? 66 A 10 -ATOM 1001 H HG21 . VAL A1 1 66 ? -8.825 11.475 -15.576 1.0 23.4 ? 66 A 10 -ATOM 1002 H HG22 . VAL A1 1 66 ? -7.653 10.162 -15.701 1.0 64.2 ? 66 A 10 -ATOM 1003 H HG23 . VAL A1 1 66 ? -7.692 11.176 -14.258 1.0 74.31 ? 66 A 10 -ATOM 1004 N N . GLN A1 1 67 ? -7.933 13.866 -13.254 1.0 5.43 ? 67 A 10 -ATOM 1005 C CA . GLN A1 1 67 ? -7.859 13.959 -11.801 1.0 15.5 ? 67 A 10 -ATOM 1006 C C . GLN A1 1 67 ? -8.794 12.95 -11.142 1.0 62.54 ? 67 A 10 -ATOM 1007 O O . GLN A1 1 67 ? -9.456 12.166 -11.821 1.0 44.01 ? 67 A 10 -ATOM 1008 C CB . GLN A1 1 67 ? -8.21 15.375 -11.341 1.0 35.11 ? 67 A 10 -ATOM 1009 C CG . GLN A1 1 67 ? -9.647 15.773 -11.64 1.0 11.21 ? 67 A 10 -ATOM 1010 C CD . GLN A1 1 67 ? -10.108 16.959 -10.817 1.0 34.44 ? 67 A 10 -ATOM 1011 O OE1 . GLN A1 1 67 ? -10.362 16.836 -9.618 1.0 41.54 ? 67 A 10 -ATOM 1012 N NE2 . GLN A1 1 67 ? -10.217 18.117 -11.456 1.0 50.51 ? 67 A 10 -ATOM 1013 H H . GLN A1 1 67 ? -8.799 13.98 -13.697 1.0 54.23 ? 67 A 10 -ATOM 1014 H HA . GLN A1 1 67 ? -6.844 13.736 -11.506 1.0 21.13 ? 67 A 10 -ATOM 1015 H HB2 . GLN A1 1 67 ? -8.055 15.443 -10.274 1.0 61.05 ? 67 A 10 -ATOM 1016 H HB3 . GLN A1 1 67 ? -7.555 16.075 -11.838 1.0 21.05 ? 67 A 10 -ATOM 1017 H HG2 . GLN A1 1 67 ? -9.725 16.028 -12.686 1.0 63.24 ? 67 A 10 -ATOM 1018 H HG3 . GLN A1 1 67 ? -10.291 14.932 -11.427 1.0 63.02 ? 67 A 10 -ATOM 1019 H HE21 . GLN A1 1 67 ? -9.999 18.14 -12.412 1.0 0.12 ? 67 A 10 -ATOM 1020 H HE22 . GLN A1 1 67 ? -10.514 18.9 -10.949 1.0 72.41 ? 67 A 10 -ATOM 1021 N N . LYS A1 1 68 ? -8.843 12.976 -9.814 1.0 63.33 ? 68 A 10 -ATOM 1022 C CA . LYS A1 1 68 ? -9.698 12.066 -9.062 1.0 34.0 ? 68 A 10 -ATOM 1023 C C . LYS A1 1 68 ? -11.171 12.347 -9.34 1.0 33.21 ? 68 A 10 -ATOM 1024 O O . LYS A1 1 68 ? -12.003 11.441 -9.304 1.0 33.01 ? 68 A 10 -ATOM 1025 C CB . LYS A1 1 68 ? -9.418 12.192 -7.563 1.0 41.41 ? 68 A 10 -ATOM 1026 C CG . LYS A1 1 68 ? -10.018 11.068 -6.736 1.0 61.44 ? 68 A 10 -ATOM 1027 C CD . LYS A1 1 68 ? -9.338 9.74 -7.022 1.0 43.41 ? 68 A 10 -ATOM 1028 C CE . LYS A1 1 68 ? -8.06 9.582 -6.214 1.0 23.43 ? 68 A 10 -ATOM 1029 N NZ . LYS A1 1 68 ? -8.323 9.611 -4.748 1.0 52.05 ? 68 A 10 -ATOM 1030 H H . LYS A1 1 68 ? -8.292 13.625 -9.328 1.0 75.53 ? 68 A 10 -ATOM 1031 H HA . LYS A1 1 68 ? -9.47 11.059 -9.379 1.0 31.4 ? 68 A 10 -ATOM 1032 H HB2 . LYS A1 1 68 ? -8.349 12.194 -7.408 1.0 51.5 ? 68 A 10 -ATOM 1033 H HB3 . LYS A1 1 68 ? -9.826 13.128 -7.21 1.0 62.4 ? 68 A 10 -ATOM 1034 H HG2 . LYS A1 1 68 ? -9.9 11.302 -5.688 1.0 22.33 ? 68 A 10 -ATOM 1035 H HG3 . LYS A1 1 68 ? -11.07 10.982 -6.971 1.0 45.02 ? 68 A 10 -ATOM 1036 H HD2 . LYS A1 1 68 ? -10.014 8.937 -6.767 1.0 14.2 ? 68 A 10 -ATOM 1037 H HD3 . LYS A1 1 68 ? -9.097 9.689 -8.075 1.0 13.53 ? 68 A 10 -ATOM 1038 H HE2 . LYS A1 1 68 ? -7.601 8.639 -6.47 1.0 43.13 ? 68 A 10 -ATOM 1039 H HE3 . LYS A1 1 68 ? -7.388 10.389 -6.466 1.0 63.42 ? 68 A 10 -ATOM 1040 H HZ1 . LYS A1 1 68 ? -7.612 9.042 -4.246 1.0 1.54 ? 68 A 10 -ATOM 1041 H HZ2 . LYS A1 1 68 ? -9.267 9.223 -4.548 1.0 73.32 ? 68 A 10 -ATOM 1042 H HZ3 . LYS A1 1 68 ? -8.281 10.589 -4.397 1.0 23.44 ? 68 A 10 -ATOM 1043 N N . GLU A1 1 69 ? -11.486 13.608 -9.62 1.0 51.1 ? 69 A 10 -ATOM 1044 C CA . GLU A1 1 69 ? -12.859 14.007 -9.904 1.0 15.41 ? 69 A 10 -ATOM 1045 C C . GLU A1 1 69 ? -12.893 15.208 -10.845 1.0 20.25 ? 69 A 10 -ATOM 1046 O O . GLU A1 1 69 ? -13.001 16.352 -10.404 1.0 55.15 ? 69 A 10 -ATOM 1047 C CB . GLU A1 1 69 ? -13.596 14.341 -8.606 1.0 42.14 ? 69 A 10 -ATOM 1048 C CG . GLU A1 1 69 ? -12.799 15.227 -7.664 1.0 32.44 ? 69 A 10 -ATOM 1049 C CD . GLU A1 1 69 ? -13.656 16.278 -6.985 1.0 60.3 ? 69 A 10 -ATOM 1050 O OE1 . GLU A1 1 69 ? -14.35 15.934 -6.006 1.0 52.11 ? 69 A 10 -ATOM 1051 O OE2 . GLU A1 1 69 ? -13.632 17.443 -7.434 1.0 33.22 ? 69 A 10 -ATOM 1052 H H . GLU A1 1 69 ? -10.778 14.286 -9.634 1.0 51.55 ? 69 A 10 -ATOM 1053 H HA . GLU A1 1 69 ? -13.353 13.176 -10.384 1.0 21.13 ? 69 A 10 -ATOM 1054 H HB2 . GLU A1 1 69 ? -14.518 14.848 -8.85 1.0 70.35 ? 69 A 10 -ATOM 1055 H HB3 . GLU A1 1 69 ? -13.828 13.421 -8.091 1.0 25.14 ? 69 A 10 -ATOM 1056 H HG2 . GLU A1 1 69 ? -12.347 14.607 -6.903 1.0 60.54 ? 69 A 10 -ATOM 1057 H HG3 . GLU A1 1 69 ? -12.024 15.725 -8.228 1.0 2.43 ? 69 A 10 -ATOM 1058 N N . SER A1 1 70 ? -12.798 14.939 -12.143 1.0 51.41 ? 70 A 10 -ATOM 1059 C CA . SER A1 1 70 ? -12.813 15.997 -13.146 1.0 50.24 ? 70 A 10 -ATOM 1060 C C . SER A1 1 70 ? -14.201 16.142 -13.762 1.0 72.1 ? 70 A 10 -ATOM 1061 O O . SER A1 1 70 ? -14.87 15.151 -14.057 1.0 13.02 ? 70 A 10 -ATOM 1062 C CB . SER A1 1 70 ? -11.785 15.705 -14.241 1.0 75.43 ? 70 A 10 -ATOM 1063 O OG . SER A1 1 70 ? -10.992 16.847 -14.514 1.0 45.33 ? 70 A 10 -ATOM 1064 H H . SER A1 1 70 ? -12.713 14.006 -12.432 1.0 42.55 ? 70 A 10 -ATOM 1065 H HA . SER A1 1 70 ? -12.55 16.923 -12.656 1.0 61.25 ? 70 A 10 -ATOM 1066 H HB2 . SER A1 1 70 ? -11.139 14.902 -13.921 1.0 1.23 ? 70 A 10 -ATOM 1067 H HB3 . SER A1 1 70 ? -12.299 15.414 -15.146 1.0 50.33 ? 70 A 10 -ATOM 1068 H HG . SER A1 1 70 ? -10.875 16.937 -15.463 1.0 14.24 ? 70 A 10 -ATOM 1069 N N . THR A1 1 71 ? -14.629 17.386 -13.953 1.0 52.55 ? 71 A 10 -ATOM 1070 C CA . THR A1 1 71 ? -15.938 17.663 -14.532 1.0 43.33 ? 71 A 10 -ATOM 1071 C C . THR A1 1 71 ? -15.839 17.875 -16.039 1.0 63.44 ? 71 A 10 -ATOM 1072 O O . THR A1 1 71 ? -15.212 18.829 -16.502 1.0 13.52 ? 71 A 10 -ATOM 1073 C CB . THR A1 1 71 ? -16.584 18.906 -13.892 1.0 4.41 ? 71 A 10 -ATOM 1074 O OG1 . THR A1 1 71 ? -15.621 19.962 -13.791 1.0 4.41 ? 71 A 10 -ATOM 1075 C CG2 . THR A1 1 71 ? -17.133 18.58 -12.511 1.0 4.35 ? 71 A 10 -ATOM 1076 H H . THR A1 1 71 ? -14.051 18.134 -13.698 1.0 14.04 ? 71 A 10 -ATOM 1077 H HA . THR A1 1 71 ? -16.575 16.812 -14.339 1.0 24.13 ? 71 A 10 -ATOM 1078 H HB . THR A1 1 71 ? -17.4 19.233 -14.52 1.0 70.41 ? 71 A 10 -ATOM 1079 H HG1 . THR A1 1 71 ? -15.898 20.584 -13.114 1.0 53.11 ? 71 A 10 -ATOM 1080 H HG21 . THR A1 1 71 ? -18.178 18.321 -12.592 1.0 12.42 ? 71 A 10 -ATOM 1081 H HG22 . THR A1 1 71 ? -17.024 19.441 -11.868 1.0 75.2 ? 71 A 10 -ATOM 1082 H HG23 . THR A1 1 71 ? -16.586 17.748 -12.094 1.0 31.12 ? 71 A 10 -ATOM 1083 N N . LEU A1 1 72 ? -16.461 16.981 -16.799 1.0 74.32 ? 72 A 10 -ATOM 1084 C CA . LEU A1 1 72 ? -16.444 17.071 -18.255 1.0 62.12 ? 72 A 10 -ATOM 1085 C C . LEU A1 1 72 ? -17.86 17.026 -18.82 1.0 14.1 ? 72 A 10 -ATOM 1086 O O . LEU A1 1 72 ? -18.738 16.358 -18.273 1.0 22.33 ? 72 A 10 -ATOM 1087 C CB . LEU A1 1 72 ? -15.611 15.932 -18.846 1.0 54.24 ? 72 A 10 -ATOM 1088 C CG . LEU A1 1 72 ? -15.91 15.566 -20.3 1.0 12.34 ? 72 A 10 -ATOM 1089 C CD1 . LEU A1 1 72 ? -15.547 16.717 -21.226 1.0 71.53 ? 72 A 10 -ATOM 1090 C CD2 . LEU A1 1 72 ? -15.16 14.303 -20.698 1.0 45.31 ? 72 A 10 -ATOM 1091 H H . LEU A1 1 72 ? -16.944 16.243 -16.373 1.0 40.44 ? 72 A 10 -ATOM 1092 H HA . LEU A1 1 72 ? -15.992 18.014 -18.524 1.0 22.23 ? 72 A 10 -ATOM 1093 H HB2 . LEU A1 1 72 ? -14.572 16.216 -18.784 1.0 24.33 ? 72 A 10 -ATOM 1094 H HB3 . LEU A1 1 72 ? -15.779 15.052 -18.241 1.0 64.44 ? 72 A 10 -ATOM 1095 H HG . LEU A1 1 72 ? -16.969 15.374 -20.406 1.0 60.22 ? 72 A 10 -ATOM 1096 H HD11 . LEU A1 1 72 ? -14.788 16.394 -21.921 1.0 22.12 ? 72 A 10 -ATOM 1097 H HD12 . LEU A1 1 72 ? -15.173 17.544 -20.641 1.0 11.12 ? 72 A 10 -ATOM 1098 H HD13 . LEU A1 1 72 ? -16.426 17.031 -21.771 1.0 74.11 ? 72 A 10 -ATOM 1099 H HD21 . LEU A1 1 72 ? -14.981 13.699 -19.82 1.0 45.11 ? 72 A 10 -ATOM 1100 H HD22 . LEU A1 1 72 ? -14.215 14.573 -21.147 1.0 64.51 ? 72 A 10 -ATOM 1101 H HD23 . LEU A1 1 72 ? -15.75 13.742 -21.408 1.0 15.53 ? 72 A 10 -ATOM 1102 N N . HIS A1 1 73 ? -18.076 17.74 -19.921 1.0 22.1 ? 73 A 10 -ATOM 1103 C CA . HIS A1 1 73 ? -19.385 17.78 -20.562 1.0 43.22 ? 73 A 10 -ATOM 1104 C C . HIS A1 1 73 ? -19.454 16.787 -21.719 1.0 1.12 ? 73 A 10 -ATOM 1105 O O . HIS A1 1 73 ? -18.68 16.875 -22.673 1.0 41.41 ? 73 A 10 -ATOM 1106 C CB . HIS A1 1 73 ? -19.686 19.191 -21.068 1.0 34.11 ? 73 A 10 -ATOM 1107 C CG . HIS A1 1 73 ? -19.52 20.25 -20.022 1.0 25.31 ? 73 A 10 -ATOM 1108 N ND1 . HIS A1 1 73 ? -19.343 21.584 -20.323 1.0 22.31 ? 73 A 10 -ATOM 1109 C CD2 . HIS A1 1 73 ? -19.507 20.166 -18.671 1.0 30.12 ? 73 A 10 -ATOM 1110 C CE1 . HIS A1 1 73 ? -19.226 22.274 -19.202 1.0 74.03 ? 73 A 10 -ATOM 1111 N NE2 . HIS A1 1 73 ? -19.323 21.437 -18.185 1.0 22.32 ? 73 A 10 -ATOM 1112 H H . HIS A1 1 73 ? -17.336 18.252 -20.31 1.0 41.1 ? 73 A 10 -ATOM 1113 H HA . HIS A1 1 73 ? -20.124 17.506 -19.825 1.0 23.25 ? 73 A 10 -ATOM 1114 H HB2 . HIS A1 1 73 ? -19.018 19.424 -21.884 1.0 51.13 ? 73 A 10 -ATOM 1115 H HB3 . HIS A1 1 73 ? -20.706 19.23 -21.421 1.0 64.13 ? 73 A 10 -ATOM 1116 H HD1 . HIS A1 1 73 ? -19.306 21.968 -21.223 1.0 63.31 ? 73 A 10 -ATOM 1117 H HD2 . HIS A1 1 73 ? -19.62 19.266 -18.083 1.0 71.43 ? 73 A 10 -ATOM 1118 H HE1 . HIS A1 1 73 ? -19.078 23.341 -19.129 1.0 3.34 ? 73 A 10 -ATOM 1119 N N . LEU A1 1 74 ? -20.384 15.843 -21.627 1.0 31.4 ? 74 A 10 -ATOM 1120 C CA . LEU A1 1 74 ? -20.553 14.833 -22.665 1.0 41.22 ? 74 A 10 -ATOM 1121 C C . LEU A1 1 74 ? -21.86 15.044 -23.422 1.0 21.0 ? 74 A 10 -ATOM 1122 O O . LEU A1 1 74 ? -22.944 14.967 -22.844 1.0 70.53 ? 74 A 10 -ATOM 1123 C CB . LEU A1 1 74 ? -20.527 13.432 -22.051 1.0 42.32 ? 74 A 10 -ATOM 1124 C CG . LEU A1 1 74 ? -21.197 12.328 -22.868 1.0 13.02 ? 74 A 10 -ATOM 1125 C CD1 . LEU A1 1 74 ? -20.623 12.282 -24.276 1.0 50.12 ? 74 A 10 -ATOM 1126 C CD2 . LEU A1 1 74 ? -21.034 10.98 -22.18 1.0 22.4 ? 74 A 10 -ATOM 1127 H H . LEU A1 1 74 ? -20.971 15.824 -20.843 1.0 53.04 ? 74 A 10 -ATOM 1128 H HA . LEU A1 1 74 ? -19.73 14.929 -23.358 1.0 65.43 ? 74 A 10 -ATOM 1129 H HB2 . LEU A1 1 74 ? -19.494 13.155 -21.905 1.0 22.02 ? 74 A 10 -ATOM 1130 H HB3 . LEU A1 1 74 ? -21.023 13.483 -21.092 1.0 20.31 ? 74 A 10 -ATOM 1131 H HG . LEU A1 1 74 ? -22.255 12.538 -22.947 1.0 34.12 ? 74 A 10 -ATOM 1132 H HD11 . LEU A1 1 74 ? -21.228 12.889 -24.931 1.0 33.01 ? 74 A 10 -ATOM 1133 H HD12 . LEU A1 1 74 ? -20.62 11.262 -24.63 1.0 1.34 ? 74 A 10 -ATOM 1134 H HD13 . LEU A1 1 74 ? -19.612 12.661 -24.264 1.0 63.14 ? 74 A 10 -ATOM 1135 H HD21 . LEU A1 1 74 ? -21.583 10.983 -21.25 1.0 12.32 ? 74 A 10 -ATOM 1136 H HD22 . LEU A1 1 74 ? -19.988 10.803 -21.98 1.0 54.43 ? 74 A 10 -ATOM 1137 H HD23 . LEU A1 1 74 ? -21.415 10.2 -22.822 1.0 14.02 ? 74 A 10 -ATOM 1138 N N . VAL A1 1 75 ? -21.751 15.307 -24.72 1.0 43.5 ? 75 A 10 -ATOM 1139 C CA . VAL A1 1 75 ? -22.924 15.526 -25.558 1.0 52.32 ? 75 A 10 -ATOM 1140 C C . VAL A1 1 75 ? -23.042 14.449 -26.63 1.0 61.15 ? 75 A 10 -ATOM 1141 O O . VAL A1 1 75 ? -22.041 14.016 -27.204 1.0 54.31 ? 75 A 10 -ATOM 1142 C CB . VAL A1 1 75 ? -22.879 16.908 -26.237 1.0 24.5 ? 75 A 10 -ATOM 1143 C CG1 . VAL A1 1 75 ? -23.246 18.002 -25.246 1.0 55.3 ? 75 A 10 -ATOM 1144 C CG2 . VAL A1 1 75 ? -21.505 17.161 -26.839 1.0 64.14 ? 75 A 10 -ATOM 1145 H H . VAL A1 1 75 ? -20.859 15.355 -25.125 1.0 70.11 ? 75 A 10 -ATOM 1146 H HA . VAL A1 1 75 ? -23.798 15.487 -24.925 1.0 60.52 ? 75 A 10 -ATOM 1147 H HB . VAL A1 1 75 ? -23.606 16.918 -27.035 1.0 44.41 ? 75 A 10 -ATOM 1148 H HG11 . VAL A1 1 75 ? -23.938 17.608 -24.515 1.0 31.54 ? 75 A 10 -ATOM 1149 H HG12 . VAL A1 1 75 ? -22.354 18.351 -24.747 1.0 61.34 ? 75 A 10 -ATOM 1150 H HG13 . VAL A1 1 75 ? -23.71 18.823 -25.772 1.0 54.52 ? 75 A 10 -ATOM 1151 H HG21 . VAL A1 1 75 ? -21.212 16.312 -27.437 1.0 5.24 ? 75 A 10 -ATOM 1152 H HG22 . VAL A1 1 75 ? -21.543 18.044 -27.459 1.0 61.35 ? 75 A 10 -ATOM 1153 H HG23 . VAL A1 1 75 ? -20.786 17.309 -26.046 1.0 24.43 ? 75 A 10 -ATOM 1154 N N . LEU A1 1 76 ? -24.271 14.02 -26.898 1.0 35.1 ? 76 A 10 -ATOM 1155 C CA . LEU A1 1 76 ? -24.521 12.993 -27.903 1.0 22.53 ? 76 A 10 -ATOM 1156 C C . LEU A1 1 76 ? -25.441 13.518 -29.0 1.0 2.14 ? 76 A 10 -ATOM 1157 O O . LEU A1 1 76 ? -26.419 14.212 -28.724 1.0 21.5 ? 76 A 10 -ATOM 1158 C CB . LEU A1 1 76 ? -25.139 11.755 -27.252 1.0 73.12 ? 76 A 10 -ATOM 1159 C CG . LEU A1 1 76 ? -25.096 11.707 -25.724 1.0 64.45 ? 76 A 10 -ATOM 1160 C CD1 . LEU A1 1 76 ? -25.934 10.55 -25.202 1.0 24.13 ? 76 A 10 -ATOM 1161 C CD2 . LEU A1 1 76 ? -23.66 11.592 -25.234 1.0 22.03 ? 76 A 10 -ATOM 1162 H H . LEU A1 1 76 ? -25.028 14.403 -26.408 1.0 44.32 ? 76 A 10 -ATOM 1163 H HA . LEU A1 1 76 ? -23.573 12.723 -28.343 1.0 53.04 ? 76 A 10 -ATOM 1164 H HB2 . LEU A1 1 76 ? -26.174 11.704 -27.555 1.0 71.31 ? 76 A 10 -ATOM 1165 H HB3 . LEU A1 1 76 ? -24.614 10.888 -27.626 1.0 62.14 ? 76 A 10 -ATOM 1166 H HG . LEU A1 1 76 ? -25.512 12.624 -25.33 1.0 42.11 ? 76 A 10 -ATOM 1167 H HD11 . LEU A1 1 76 ? -26.78 10.936 -24.654 1.0 12.14 ? 76 A 10 -ATOM 1168 H HD12 . LEU A1 1 76 ? -25.332 9.936 -24.549 1.0 23.21 ? 76 A 10 -ATOM 1169 H HD13 . LEU A1 1 76 ? -26.283 9.955 -26.033 1.0 40.2 ? 76 A 10 -ATOM 1170 H HD21 . LEU A1 1 76 ? -23.562 12.095 -24.284 1.0 53.24 ? 76 A 10 -ATOM 1171 H HD22 . LEU A1 1 76 ? -22.997 12.048 -25.955 1.0 72.02 ? 76 A 10 -ATOM 1172 H HD23 . LEU A1 1 76 ? -23.402 10.549 -25.118 1.0 63.4 ? 76 A 10 -ATOM 1173 N N . ARG A1 1 77 ? -25.121 13.18 -30.245 1.0 50.44 ? 77 A 10 -ATOM 1174 C CA . ARG A1 1 77 ? -25.919 13.616 -31.384 1.0 12.4 ? 77 A 10 -ATOM 1175 C C . ARG A1 1 77 ? -26.547 12.422 -32.098 1.0 10.32 ? 77 A 10 -ATOM 1176 O O . ARG A1 1 77 ? -26.049 11.97 -33.13 1.0 12.43 ? 77 A 10 -ATOM 1177 C CB . ARG A1 1 77 ? -25.056 14.413 -32.364 1.0 55.35 ? 77 A 10 -ATOM 1178 C CG . ARG A1 1 77 ? -24.567 15.739 -31.805 1.0 12.22 ? 77 A 10 -ATOM 1179 C CD . ARG A1 1 77 ? -23.053 15.761 -31.669 1.0 60.22 ? 77 A 10 -ATOM 1180 N NE . ARG A1 1 77 ? -22.577 16.995 -31.049 1.0 64.33 ? 77 A 10 -ATOM 1181 C CZ . ARG A1 1 77 ? -22.55 18.168 -31.673 1.0 13.31 ? 77 A 10 -ATOM 1182 N NH1 . ARG A1 1 77 ? -22.97 18.265 -32.927 1.0 63.3 ? 77 A 10 -ATOM 1183 N NH2 . ARG A1 1 77 ? -22.104 19.246 -31.042 1.0 70.54 ? 77 A 10 -ATOM 1184 H H . ARG A1 1 77 ? -24.329 12.624 -30.401 1.0 2.41 ? 77 A 10 -ATOM 1185 H HA . ARG A1 1 77 ? -26.708 14.253 -31.013 1.0 53.23 ? 77 A 10 -ATOM 1186 H HB2 . ARG A1 1 77 ? -24.193 13.82 -32.631 1.0 41.04 ? 77 A 10 -ATOM 1187 H HB3 . ARG A1 1 77 ? -25.634 14.613 -33.254 1.0 23.23 ? 77 A 10 -ATOM 1188 H HG2 . ARG A1 1 77 ? -24.869 16.533 -32.472 1.0 3.21 ? 77 A 10 -ATOM 1189 H HG3 . ARG A1 1 77 ? -25.01 15.894 -30.833 1.0 45.32 ? 77 A 10 -ATOM 1190 H HD2 . ARG A1 1 77 ? -22.747 14.924 -31.06 1.0 24.22 ? 77 A 10 -ATOM 1191 H HD3 . ARG A1 1 77 ? -22.615 15.671 -32.652 1.0 55.12 ? 77 A 10 -ATOM 1192 H HE . ARG A1 1 77 ? -22.262 16.946 -30.123 1.0 41.44 ? 77 A 10 -ATOM 1193 H HH11 . ARG A1 1 77 ? -23.308 17.454 -33.404 1.0 31.24 ? 77 A 10 -ATOM 1194 H HH12 . ARG A1 1 77 ? -22.95 19.15 -33.394 1.0 72.5 ? 77 A 10 -ATOM 1195 H HH21 . ARG A1 1 77 ? -21.787 19.177 -30.097 1.0 71.34 ? 77 A 10 -ATOM 1196 H HH22 . ARG A1 1 77 ? -22.084 20.128 -31.512 1.0 1.44 ? 77 A 10 -ATOM 1197 N N . LEU A1 1 78 ? -27.641 11.915 -31.541 1.0 31.03 ? 78 A 10 -ATOM 1198 C CA . LEU A1 1 78 ? -28.337 10.773 -32.123 1.0 51.32 ? 78 A 10 -ATOM 1199 C C . LEU A1 1 78 ? -29.16 11.197 -33.335 1.0 14.11 ? 78 A 10 -ATOM 1200 O O . LEU A1 1 78 ? -29.106 10.561 -34.388 1.0 12.31 ? 78 A 10 -ATOM 1201 C CB . LEU A1 1 78 ? -29.244 10.117 -31.08 1.0 42.51 ? 78 A 10 -ATOM 1202 C CG . LEU A1 1 78 ? -28.537 9.447 -29.902 1.0 51.45 ? 78 A 10 -ATOM 1203 C CD1 . LEU A1 1 78 ? -27.402 8.562 -30.394 1.0 14.44 ? 78 A 10 -ATOM 1204 C CD2 . LEU A1 1 78 ? -28.016 10.492 -28.927 1.0 25.32 ? 78 A 10 -ATOM 1205 H H . LEU A1 1 78 ? -27.991 12.318 -30.719 1.0 75.31 ? 78 A 10 -ATOM 1206 H HA . LEU A1 1 78 ? -27.593 10.058 -32.441 1.0 64.2 ? 78 A 10 -ATOM 1207 H HB2 . LEU A1 1 78 ? -29.896 10.88 -30.683 1.0 61.14 ? 78 A 10 -ATOM 1208 H HB3 . LEU A1 1 78 ? -29.836 9.366 -31.583 1.0 62.32 ? 78 A 10 -ATOM 1209 H HG . LEU A1 1 78 ? -29.244 8.82 -29.375 1.0 53.42 ? 78 A 10 -ATOM 1210 H HD11 . LEU A1 1 78 ? -26.463 9.081 -30.274 1.0 3.24 ? 78 A 10 -ATOM 1211 H HD12 . LEU A1 1 78 ? -27.555 8.329 -31.438 1.0 74.14 ? 78 A 10 -ATOM 1212 H HD13 . LEU A1 1 78 ? -27.385 7.647 -29.82 1.0 11.41 ? 78 A 10 -ATOM 1213 H HD21 . LEU A1 1 78 ? -27.131 10.957 -29.337 1.0 65.32 ? 78 A 10 -ATOM 1214 H HD22 . LEU A1 1 78 ? -27.772 10.018 -27.988 1.0 65.43 ? 78 A 10 -ATOM 1215 H HD23 . LEU A1 1 78 ? -28.776 11.243 -28.765 1.0 34.04 ? 78 A 10 -ATOM 1216 N N . ARG A1 1 79 ? -29.921 12.275 -33.18 1.0 44.5 ? 79 A 10 -ATOM 1217 C CA . ARG A1 1 79 ? -30.755 12.785 -34.262 1.0 54.44 ? 79 A 10 -ATOM 1218 C C . ARG A1 1 79 ? -29.896 13.356 -35.386 1.0 43.43 ? 79 A 10 -ATOM 1219 O O . ARG A1 1 79 ? -29.597 14.549 -35.408 1.0 24.23 ? 79 A 10 -ATOM 1220 C CB . ARG A1 1 79 ? -31.708 13.86 -33.737 1.0 53.1 ? 79 A 10 -ATOM 1221 C CG . ARG A1 1 79 ? -32.962 13.298 -33.088 1.0 62.42 ? 79 A 10 -ATOM 1222 C CD . ARG A1 1 79 ? -33.05 13.683 -31.619 1.0 15.2 ? 79 A 10 -ATOM 1223 N NE . ARG A1 1 79 ? -33.765 14.941 -31.425 1.0 22.21 ? 79 A 10 -ATOM 1224 C CZ . ARG A1 1 79 ? -34.09 15.425 -30.231 1.0 43.33 ? 79 A 10 -ATOM 1225 N NH1 . ARG A1 1 79 ? -33.766 14.759 -29.131 1.0 51.34 ? 79 A 10 -ATOM 1226 N NH2 . ARG A1 1 79 ? -34.741 16.577 -30.136 1.0 24.34 ? 79 A 10 -ATOM 1227 H H . ARG A1 1 79 ? -29.922 12.74 -32.316 1.0 30.43 ? 79 A 10 -ATOM 1228 H HA . ARG A1 1 79 ? -31.334 11.961 -34.65 1.0 75.12 ? 79 A 10 -ATOM 1229 H HB2 . ARG A1 1 79 ? -31.188 14.459 -33.004 1.0 72.51 ? 79 A 10 -ATOM 1230 H HB3 . ARG A1 1 79 ? -32.006 14.492 -34.559 1.0 62.3 ? 79 A 10 -ATOM 1231 H HG2 . ARG A1 1 79 ? -33.828 13.687 -33.603 1.0 34.21 ? 79 A 10 -ATOM 1232 H HG3 . ARG A1 1 79 ? -32.946 12.221 -33.169 1.0 51.44 ? 79 A 10 -ATOM 1233 H HD2 . ARG A1 1 79 ? -33.567 12.9 -31.086 1.0 21.42 ? 79 A 10 -ATOM 1234 H HD3 . ARG A1 1 79 ? -32.049 13.784 -31.227 1.0 24.22 ? 79 A 10 -ATOM 1235 H HE . ARG A1 1 79 ? -34.015 15.449 -32.224 1.0 63.2 ? 79 A 10 -ATOM 1236 H HH11 . ARG A1 1 79 ? -33.274 13.891 -29.2 1.0 0.03 ? 79 A 10 -ATOM 1237 H HH12 . ARG A1 1 79 ? -34.011 15.126 -28.234 1.0 54.33 ? 79 A 10 -ATOM 1238 H HH21 . ARG A1 1 79 ? -34.988 17.082 -30.963 1.0 72.3 ? 79 A 10 -ATOM 1239 H HH22 . ARG A1 1 79 ? -34.986 16.94 -29.237 1.0 2.44 ? 79 A 10 -ATOM 1240 N N . GLY A1 1 80 ? -29.502 12.495 -36.319 1.0 11.03 ? 80 A 10 -ATOM 1241 C CA . GLY A1 1 80 ? -28.682 12.932 -37.434 1.0 3.12 ? 80 A 10 -ATOM 1242 C C . GLY A1 1 80 ? -27.45 12.068 -37.621 1.0 52.34 ? 80 A 10 -ATOM 1243 O O . GLY A1 1 80 ? -26.324 12.562 -37.575 1.0 43.44 ? 80 A 10 -ATOM 1244 H H . GLY A1 1 80 ? -29.771 11.554 -36.25 1.0 0.24 ? 80 A 10 -ATOM 1245 H HA2 . GLY A1 1 80 ? -29.273 12.898 -38.337 1.0 71.24 ? 80 A 10 -ATOM 1246 H HA3 . GLY A1 1 80 ? -28.369 13.951 -37.258 1.0 43.14 ? 80 A 10 -ATOM 1247 N N . GLY A1 1 81 ? -27.664 10.772 -37.831 1.0 43.34 ? 81 A 10 -ATOM 1248 C CA . GLY A1 1 81 ? -26.553 9.859 -38.02 1.0 20.2 ? 81 A 10 -ATOM 1249 C C . GLY A1 1 81 ? -26.951 8.411 -37.813 1.0 63.23 ? 81 A 10 -ATOM 1250 O O . GLY A1 1 81 ? -28.106 8.115 -37.506 1.0 30.24 ? 81 A 10 -ATOM 1251 H H . GLY A1 1 81 ? -28.584 10.435 -37.857 1.0 11.33 ? 81 A 10 -ATOM 1252 H HA2 . GLY A1 1 81 ? -26.171 9.976 -39.023 1.0 30.51 ? 81 A 10 -ATOM 1253 H HA3 . GLY A1 1 81 ? -25.772 10.109 -37.317 1.0 55.14 ? 81 A 10 -ATOM 1254 N N . VAL A1 1 82 ? -25.993 7.505 -37.983 1.0 30.52 ? 82 A 10 -ATOM 1255 C CA . VAL A1 1 82 ? -26.25 6.08 -37.813 1.0 4.45 ? 82 A 10 -ATOM 1256 C C . VAL A1 1 82 ? -25.05 5.376 -37.189 1.0 63.52 ? 82 A 10 -ATOM 1257 O O . VAL A1 1 82 ? -24.155 6.02 -36.642 1.0 12.52 ? 82 A 10 -ATOM 1258 C CB . VAL A1 1 82 ? -26.584 5.406 -39.157 1.0 53.54 ? 82 A 10 -ATOM 1259 C CG1 . VAL A1 1 82 ? -25.44 5.585 -40.144 1.0 33.31 ? 82 A 10 -ATOM 1260 C CG2 . VAL A1 1 82 ? -26.895 3.931 -38.951 1.0 1.13 ? 82 A 10 -ATOM 1261 H H . VAL A1 1 82 ? -25.092 7.802 -38.228 1.0 42.11 ? 82 A 10 -ATOM 1262 H HA . VAL A1 1 82 ? -27.101 5.969 -37.158 1.0 65.12 ? 82 A 10 -ATOM 1263 H HB . VAL A1 1 82 ? -27.462 5.883 -39.568 1.0 3.02 ? 82 A 10 -ATOM 1264 H HG11 . VAL A1 1 82 ? -25.603 4.95 -41.002 1.0 71.54 ? 82 A 10 -ATOM 1265 H HG12 . VAL A1 1 82 ? -25.396 6.616 -40.461 1.0 43.52 ? 82 A 10 -ATOM 1266 H HG13 . VAL A1 1 82 ? -24.509 5.314 -39.668 1.0 60.31 ? 82 A 10 -ATOM 1267 H HG21 . VAL A1 1 82 ? -26.003 3.347 -39.123 1.0 51.1 ? 82 A 10 -ATOM 1268 H HG22 . VAL A1 1 82 ? -27.238 3.775 -37.939 1.0 43.42 ? 82 A 10 -ATOM 1269 H HG23 . VAL A1 1 82 ? -27.665 3.624 -39.644 1.0 61.21 ? 82 A 10 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -ALA 'L-PEPTIDE LINKING' ALANINE ? 'C3 H7 N O2' 89.093 -ARG 'L-PEPTIDE LINKING' ARGININE ? 'C6 H15 N4 O2' 175.209 -ASN 'L-PEPTIDE LINKING' ASPARAGINE ? 'C4 H8 N2 O3' 132.118 -ASP 'L-PEPTIDE LINKING' 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 -GLN 'L-PEPTIDE LINKING' GLUTAMINE ? 'C5 H10 N2 O3' 146.144 -GLU 'L-PEPTIDE LINKING' 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 -GLY 'PEPTIDE LINKING' GLYCINE ? 'C2 H5 N O2' 75.067 -HIS 'L-PEPTIDE LINKING' HISTIDINE ? 'C6 H10 N3 O2' 156.162 -ILE 'L-PEPTIDE LINKING' ISOLEUCINE ? 'C6 H13 N O2' 131.173 -LEU 'L-PEPTIDE LINKING' LEUCINE ? 'C6 H13 N O2' 131.173 -LYS 'L-PEPTIDE LINKING' LYSINE ? 'C6 H15 N2 O2' 147.195 -MET 'L-PEPTIDE LINKING' METHIONINE ? 'C5 H11 N O2 S' 149.211 -PHE 'L-PEPTIDE LINKING' PHENYLALANINE ? 'C9 H11 N O2' 165.189 -PRO 'L-PEPTIDE LINKING' PROLINE ? 'C5 H9 N O2' 115.130 -SER 'L-PEPTIDE LINKING' SERINE ? 'C3 H7 N O3' 105.093 -THR 'L-PEPTIDE LINKING' THREONINE ? 'C4 H9 N O3' 119.119 -TYR 'L-PEPTIDE LINKING' TYROSINE ? 'C9 H11 N O3' 181.189 -VAL 'L-PEPTIDE LINKING' VALINE ? 'C5 H11 N O2' 117.146 -# -loop_ -_chem_comp_atom.comp_id -_chem_comp_atom.atom_id -_chem_comp_atom.type_symbol -_chem_comp_atom.pdbx_aromatic_flag -_chem_comp_atom.pdbx_stereo_config -_chem_comp_atom.pdbx_ordinal -ALA N N N N 1 -ALA CA C N S 2 -ALA C C N N 3 -ALA O O N N 4 -ALA CB C N N 5 -ALA OXT O N N 6 -ALA H H N N 7 -ALA H2 H N N 8 -ALA HA H N N 9 -ALA HB1 H N N 10 -ALA HB2 H N N 11 -ALA HB3 H N N 12 -ALA HXT H N N 13 -ARG N N N N 14 -ARG CA C N S 15 -ARG C C N N 16 -ARG O O N N 17 -ARG CB C N N 18 -ARG CG C N N 19 -ARG CD C N N 20 -ARG NE N N N 21 -ARG CZ C N N 22 -ARG NH1 N N N 23 -ARG NH2 N N N 24 -ARG OXT O N N 25 -ARG H H N N 26 -ARG H2 H N N 27 -ARG HA H N N 28 -ARG HB2 H N N 29 -ARG HB3 H N N 30 -ARG HG2 H N N 31 -ARG HG3 H N N 32 -ARG HD2 H N N 33 -ARG HD3 H N N 34 -ARG HE H N N 35 -ARG HH11 H N N 36 -ARG HH12 H N N 37 -ARG HH21 H N N 38 -ARG HH22 H N N 39 -ARG HXT H N N 40 -ASN N N N N 41 -ASN CA C N S 42 -ASN C C N N 43 -ASN O O N N 44 -ASN CB C N N 45 -ASN CG C N N 46 -ASN OD1 O N N 47 -ASN ND2 N N N 48 -ASN OXT O N N 49 -ASN H H N N 50 -ASN H2 H N N 51 -ASN HA H N N 52 -ASN HB2 H N N 53 -ASN HB3 H N N 54 -ASN HD21 H N N 55 -ASN HD22 H N N 56 -ASN HXT H N N 57 -ASP N N N N 58 -ASP CA C N S 59 -ASP C C N N 60 -ASP O O N N 61 -ASP CB C N N 62 -ASP CG C N N 63 -ASP OD1 O N N 64 -ASP OD2 O N N 65 -ASP OXT O N N 66 -ASP H H N N 67 -ASP H2 H N N 68 -ASP HA H N N 69 -ASP HB2 H N N 70 -ASP HB3 H N N 71 -ASP HD2 H N N 72 -ASP HXT H N N 73 -GLN N N N N 74 -GLN CA C N S 75 -GLN C C N N 76 -GLN O O N N 77 -GLN CB C N N 78 -GLN CG C N N 79 -GLN CD C N N 80 -GLN OE1 O N N 81 -GLN NE2 N N N 82 -GLN OXT O N N 83 -GLN H H N N 84 -GLN H2 H N N 85 -GLN HA H N N 86 -GLN HB2 H N N 87 -GLN HB3 H N N 88 -GLN HG2 H N N 89 -GLN HG3 H N N 90 -GLN HE21 H N N 91 -GLN HE22 H N N 92 -GLN HXT H N N 93 -GLU N N N N 94 -GLU CA C N S 95 -GLU C C N N 96 -GLU O O N N 97 -GLU CB C N N 98 -GLU CG C N N 99 -GLU CD C N N 100 -GLU OE1 O N N 101 -GLU OE2 O N N 102 -GLU OXT O N N 103 -GLU H H N N 104 -GLU H2 H N N 105 -GLU HA H N N 106 -GLU HB2 H N N 107 -GLU HB3 H N N 108 -GLU HG2 H N N 109 -GLU HG3 H N N 110 -GLU HE2 H N N 111 -GLU HXT H N N 112 -GLY N N N N 113 -GLY CA C N N 114 -GLY C C N N 115 -GLY O O N N 116 -GLY OXT O N N 117 -GLY H H N N 118 -GLY H2 H N N 119 -GLY HA2 H N N 120 -GLY HA3 H N N 121 -GLY HXT H N N 122 -HIS N N N N 123 -HIS CA C N S 124 -HIS C C N N 125 -HIS O O N N 126 -HIS CB C N N 127 -HIS CG C Y N 128 -HIS ND1 N Y N 129 -HIS CD2 C Y N 130 -HIS CE1 C Y N 131 -HIS NE2 N Y N 132 -HIS OXT O N N 133 -HIS H H N N 134 -HIS H2 H N N 135 -HIS HA H N N 136 -HIS HB2 H N N 137 -HIS HB3 H N N 138 -HIS HD1 H N N 139 -HIS HD2 H N N 140 -HIS HE1 H N N 141 -HIS HE2 H N N 142 -HIS HXT H N N 143 -ILE N N N N 144 -ILE CA C N S 145 -ILE C C N N 146 -ILE O O N N 147 -ILE CB C N S 148 -ILE CG1 C N N 149 -ILE CG2 C N N 150 -ILE CD1 C N N 151 -ILE OXT O N N 152 -ILE H H N N 153 -ILE H2 H N N 154 -ILE HA H N N 155 -ILE HB H N N 156 -ILE HG12 H N N 157 -ILE HG13 H N N 158 -ILE HG21 H N N 159 -ILE HG22 H N N 160 -ILE HG23 H N N 161 -ILE HD11 H N N 162 -ILE HD12 H N N 163 -ILE HD13 H N N 164 -ILE HXT H N N 165 -LEU N N N N 166 -LEU CA C N S 167 -LEU C C N N 168 -LEU O O N N 169 -LEU CB C N N 170 -LEU CG C N N 171 -LEU CD1 C N N 172 -LEU CD2 C N N 173 -LEU OXT O N N 174 -LEU H H N N 175 -LEU H2 H N N 176 -LEU HA H N N 177 -LEU HB2 H N N 178 -LEU HB3 H N N 179 -LEU HG H N N 180 -LEU HD11 H N N 181 -LEU HD12 H N N 182 -LEU HD13 H N N 183 -LEU HD21 H N N 184 -LEU HD22 H N N 185 -LEU HD23 H N N 186 -LEU HXT H N N 187 -LYS N N N N 188 -LYS CA C N S 189 -LYS C C N N 190 -LYS O O N N 191 -LYS CB C N N 192 -LYS CG C N N 193 -LYS CD C N N 194 -LYS CE C N N 195 -LYS NZ N N N 196 -LYS OXT O N N 197 -LYS H H N N 198 -LYS H2 H N N 199 -LYS HA H N N 200 -LYS HB2 H N N 201 -LYS HB3 H N N 202 -LYS HG2 H N N 203 -LYS HG3 H N N 204 -LYS HD2 H N N 205 -LYS HD3 H N N 206 -LYS HE2 H N N 207 -LYS HE3 H N N 208 -LYS HZ1 H N N 209 -LYS HZ2 H N N 210 -LYS HZ3 H N N 211 -LYS HXT H N N 212 -MET N N N N 213 -MET CA C N S 214 -MET C C N N 215 -MET O O N N 216 -MET CB C N N 217 -MET CG C N N 218 -MET SD S N N 219 -MET CE C N N 220 -MET OXT O N N 221 -MET H H N N 222 -MET H2 H N N 223 -MET HA H N N 224 -MET HB2 H N N 225 -MET HB3 H N N 226 -MET HG2 H N N 227 -MET HG3 H N N 228 -MET HE1 H N N 229 -MET HE2 H N N 230 -MET HE3 H N N 231 -MET HXT H N N 232 -PHE N N N N 233 -PHE CA C N S 234 -PHE C C N N 235 -PHE O O N N 236 -PHE CB C N N 237 -PHE CG C Y N 238 -PHE CD1 C Y N 239 -PHE CD2 C Y N 240 -PHE CE1 C Y N 241 -PHE CE2 C Y N 242 -PHE CZ C Y N 243 -PHE OXT O N N 244 -PHE H H N N 245 -PHE H2 H N N 246 -PHE HA H N N 247 -PHE HB2 H N N 248 -PHE HB3 H N N 249 -PHE HD1 H N N 250 -PHE HD2 H N N 251 -PHE HE1 H N N 252 -PHE HE2 H N N 253 -PHE HZ H N N 254 -PHE HXT H N N 255 -PRO N N N N 256 -PRO CA C N S 257 -PRO C C N N 258 -PRO O O N N 259 -PRO CB C N N 260 -PRO CG C N N 261 -PRO CD C N N 262 -PRO OXT O N N 263 -PRO H H N N 264 -PRO HA H N N 265 -PRO HB2 H N N 266 -PRO HB3 H N N 267 -PRO HG2 H N N 268 -PRO HG3 H N N 269 -PRO HD2 H N N 270 -PRO HD3 H N N 271 -PRO HXT H N N 272 -SER N N N N 273 -SER CA C N S 274 -SER C C N N 275 -SER O O N N 276 -SER CB C N N 277 -SER OG O N N 278 -SER OXT O N N 279 -SER H H N N 280 -SER H2 H N N 281 -SER HA H N N 282 -SER HB2 H N N 283 -SER HB3 H N N 284 -SER HG H N N 285 -SER HXT H N N 286 -THR N N N N 287 -THR CA C N S 288 -THR C C N N 289 -THR O O N N 290 -THR CB C N R 291 -THR OG1 O N N 292 -THR CG2 C N N 293 -THR OXT O N N 294 -THR H H N N 295 -THR H2 H N N 296 -THR HA H N N 297 -THR HB H N N 298 -THR HG1 H N N 299 -THR HG21 H N N 300 -THR HG22 H N N 301 -THR HG23 H N N 302 -THR HXT H N N 303 -TYR N N N N 304 -TYR CA C N S 305 -TYR C C N N 306 -TYR O O N N 307 -TYR CB C N N 308 -TYR CG C Y N 309 -TYR CD1 C Y N 310 -TYR CD2 C Y N 311 -TYR CE1 C Y N 312 -TYR CE2 C Y N 313 -TYR CZ C Y N 314 -TYR OH O N N 315 -TYR OXT O N N 316 -TYR H H N N 317 -TYR H2 H N N 318 -TYR HA H N N 319 -TYR HB2 H N N 320 -TYR HB3 H N N 321 -TYR HD1 H N N 322 -TYR HD2 H N N 323 -TYR HE1 H N N 324 -TYR HE2 H N N 325 -TYR HH H N N 326 -TYR HXT H N N 327 -VAL N N N N 328 -VAL CA C N S 329 -VAL C C N N 330 -VAL O O N N 331 -VAL CB C N N 332 -VAL CG1 C N N 333 -VAL CG2 C N N 334 -VAL OXT O N N 335 -VAL H H N N 336 -VAL H2 H N N 337 -VAL HA H N N 338 -VAL HB H N N 339 -VAL HG11 H N N 340 -VAL HG12 H N N 341 -VAL HG13 H N N 342 -VAL HG21 H N N 343 -VAL HG22 H N N 344 -VAL HG23 H N N 345 -VAL HXT H N N 346 -# -loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -ALA N CA SING N N 1 -ALA N H SING N N 2 -ALA N H2 SING N N 3 -ALA CA C SING N N 4 -ALA CA CB SING N N 5 -ALA CA HA SING N N 6 -ALA C O DOUB N N 7 -ALA C OXT SING N N 8 -ALA CB HB1 SING N N 9 -ALA CB HB2 SING N N 10 -ALA CB HB3 SING N N 11 -ALA OXT HXT SING N N 12 -ARG N CA SING N N 13 -ARG N H SING N N 14 -ARG N H2 SING N N 15 -ARG CA C SING N N 16 -ARG CA CB SING N N 17 -ARG CA HA SING N N 18 -ARG C O DOUB N N 19 -ARG C OXT SING N N 20 -ARG CB CG SING N N 21 -ARG CB HB2 SING N N 22 -ARG CB HB3 SING N N 23 -ARG CG CD SING N N 24 -ARG CG HG2 SING N N 25 -ARG CG HG3 SING N N 26 -ARG CD NE SING N N 27 -ARG CD HD2 SING N N 28 -ARG CD HD3 SING N N 29 -ARG NE CZ SING N N 30 -ARG NE HE SING N N 31 -ARG CZ NH1 SING N N 32 -ARG CZ NH2 DOUB N N 33 -ARG NH1 HH11 SING N N 34 -ARG NH1 HH12 SING N N 35 -ARG NH2 HH21 SING N N 36 -ARG NH2 HH22 SING N N 37 -ARG OXT HXT SING N N 38 -ASN N CA SING N N 39 -ASN N H SING N N 40 -ASN N H2 SING N N 41 -ASN CA C SING N N 42 -ASN CA CB SING N N 43 -ASN CA HA SING N N 44 -ASN C O DOUB N N 45 -ASN C OXT SING N N 46 -ASN CB CG SING N N 47 -ASN CB HB2 SING N N 48 -ASN CB HB3 SING N N 49 -ASN CG OD1 DOUB N N 50 -ASN CG ND2 SING N N 51 -ASN ND2 HD21 SING N N 52 -ASN ND2 HD22 SING N N 53 -ASN OXT HXT SING N N 54 -ASP N CA SING N N 55 -ASP N H SING N N 56 -ASP N H2 SING N N 57 -ASP CA C SING N N 58 -ASP CA CB SING N N 59 -ASP CA HA SING N N 60 -ASP C O DOUB N N 61 -ASP C OXT SING N N 62 -ASP CB CG SING N N 63 -ASP CB HB2 SING N N 64 -ASP CB HB3 SING N N 65 -ASP CG OD1 DOUB N N 66 -ASP CG OD2 SING N N 67 -ASP OD2 HD2 SING N N 68 -ASP OXT HXT SING N N 69 -GLN N CA SING N N 70 -GLN N H SING N N 71 -GLN N H2 SING N N 72 -GLN CA C SING N N 73 -GLN CA CB SING N N 74 -GLN CA HA SING N N 75 -GLN C O DOUB N N 76 -GLN C OXT SING N N 77 -GLN CB CG SING N N 78 -GLN CB HB2 SING N N 79 -GLN CB HB3 SING N N 80 -GLN CG CD SING N N 81 -GLN CG HG2 SING N N 82 -GLN CG HG3 SING N N 83 -GLN CD OE1 DOUB N N 84 -GLN CD NE2 SING N N 85 -GLN NE2 HE21 SING N N 86 -GLN NE2 HE22 SING N N 87 -GLN OXT HXT SING N N 88 -GLU N CA SING N N 89 -GLU N H SING N N 90 -GLU N H2 SING N N 91 -GLU CA C SING N N 92 -GLU CA CB SING N N 93 -GLU CA HA SING N N 94 -GLU C O DOUB N N 95 -GLU C OXT SING N N 96 -GLU CB CG SING N N 97 -GLU CB HB2 SING N N 98 -GLU CB HB3 SING N N 99 -GLU CG CD SING N N 100 -GLU CG HG2 SING N N 101 -GLU CG HG3 SING N N 102 -GLU CD OE1 DOUB N N 103 -GLU CD OE2 SING N N 104 -GLU OE2 HE2 SING N N 105 -GLU OXT HXT SING N N 106 -GLY N CA SING N N 107 -GLY N H SING N N 108 -GLY N H2 SING N N 109 -GLY CA C SING N N 110 -GLY CA HA2 SING N N 111 -GLY CA HA3 SING N N 112 -GLY C O DOUB N N 113 -GLY C OXT SING N N 114 -GLY OXT HXT SING N N 115 -HIS N CA SING N N 116 -HIS N H SING N N 117 -HIS N H2 SING N N 118 -HIS CA C SING N N 119 -HIS CA CB SING N N 120 -HIS CA HA SING N N 121 -HIS C O DOUB N N 122 -HIS C OXT SING N N 123 -HIS CB CG SING N N 124 -HIS CB HB2 SING N N 125 -HIS CB HB3 SING N N 126 -HIS CG ND1 SING Y N 127 -HIS CG CD2 DOUB Y N 128 -HIS ND1 CE1 DOUB Y N 129 -HIS ND1 HD1 SING N N 130 -HIS CD2 NE2 SING Y N 131 -HIS CD2 HD2 SING N N 132 -HIS CE1 NE2 SING Y N 133 -HIS CE1 HE1 SING N N 134 -HIS NE2 HE2 SING N N 135 -HIS OXT HXT SING N N 136 -ILE N CA SING N N 137 -ILE N H SING N N 138 -ILE N H2 SING N N 139 -ILE CA C SING N N 140 -ILE CA CB SING N N 141 -ILE CA HA SING N N 142 -ILE C O DOUB N N 143 -ILE C OXT SING N N 144 -ILE CB CG1 SING N N 145 -ILE CB CG2 SING N N 146 -ILE CB HB SING N N 147 -ILE CG1 CD1 SING N N 148 -ILE CG1 HG12 SING N N 149 -ILE CG1 HG13 SING N N 150 -ILE CG2 HG21 SING N N 151 -ILE CG2 HG22 SING N N 152 -ILE CG2 HG23 SING N N 153 -ILE CD1 HD11 SING N N 154 -ILE CD1 HD12 SING N N 155 -ILE CD1 HD13 SING N N 156 -ILE OXT HXT SING N N 157 -LEU N CA SING N N 158 -LEU N H SING N N 159 -LEU N H2 SING N N 160 -LEU CA C SING N N 161 -LEU CA CB SING N N 162 -LEU CA HA SING N N 163 -LEU C O DOUB N N 164 -LEU C OXT SING N N 165 -LEU CB CG SING N N 166 -LEU CB HB2 SING N N 167 -LEU CB HB3 SING N N 168 -LEU CG CD1 SING N N 169 -LEU CG CD2 SING N N 170 -LEU CG HG SING N N 171 -LEU CD1 HD11 SING N N 172 -LEU CD1 HD12 SING N N 173 -LEU CD1 HD13 SING N N 174 -LEU CD2 HD21 SING N N 175 -LEU CD2 HD22 SING N N 176 -LEU CD2 HD23 SING N N 177 -LEU OXT HXT SING N N 178 -LYS N CA SING N N 179 -LYS N H SING N N 180 -LYS N H2 SING N N 181 -LYS CA C SING N N 182 -LYS CA CB SING N N 183 -LYS CA HA SING N N 184 -LYS C O DOUB N N 185 -LYS C OXT SING N N 186 -LYS CB CG SING N N 187 -LYS CB HB2 SING N N 188 -LYS CB HB3 SING N N 189 -LYS CG CD SING N N 190 -LYS CG HG2 SING N N 191 -LYS CG HG3 SING N N 192 -LYS CD CE SING N N 193 -LYS CD HD2 SING N N 194 -LYS CD HD3 SING N N 195 -LYS CE NZ SING N N 196 -LYS CE HE2 SING N N 197 -LYS CE HE3 SING N N 198 -LYS NZ HZ1 SING N N 199 -LYS NZ HZ2 SING N N 200 -LYS NZ HZ3 SING N N 201 -LYS OXT HXT SING N N 202 -MET N CA SING N N 203 -MET N H SING N N 204 -MET N H2 SING N N 205 -MET CA C SING N N 206 -MET CA CB SING N N 207 -MET CA HA SING N N 208 -MET C O DOUB N N 209 -MET C OXT SING N N 210 -MET CB CG SING N N 211 -MET CB HB2 SING N N 212 -MET CB HB3 SING N N 213 -MET CG SD SING N N 214 -MET CG HG2 SING N N 215 -MET CG HG3 SING N N 216 -MET SD CE SING N N 217 -MET CE HE1 SING N N 218 -MET CE HE2 SING N N 219 -MET CE HE3 SING N N 220 -MET OXT HXT SING N N 221 -PHE N CA SING N N 222 -PHE N H SING N N 223 -PHE N H2 SING N N 224 -PHE CA C SING N N 225 -PHE CA CB SING N N 226 -PHE CA HA SING N N 227 -PHE C O DOUB N N 228 -PHE C OXT SING N N 229 -PHE CB CG SING N N 230 -PHE CB HB2 SING N N 231 -PHE CB HB3 SING N N 232 -PHE CG CD1 DOUB Y N 233 -PHE CG CD2 SING Y N 234 -PHE CD1 CE1 SING Y N 235 -PHE CD1 HD1 SING N N 236 -PHE CD2 CE2 DOUB Y N 237 -PHE CD2 HD2 SING N N 238 -PHE CE1 CZ DOUB Y N 239 -PHE CE1 HE1 SING N N 240 -PHE CE2 CZ SING Y N 241 -PHE CE2 HE2 SING N N 242 -PHE CZ HZ SING N N 243 -PHE OXT HXT SING N N 244 -PRO N CA SING N N 245 -PRO N CD SING N N 246 -PRO N H SING N N 247 -PRO CA C SING N N 248 -PRO CA CB SING N N 249 -PRO CA HA SING N N 250 -PRO C O DOUB N N 251 -PRO C OXT SING N N 252 -PRO CB CG SING N N 253 -PRO CB HB2 SING N N 254 -PRO CB HB3 SING N N 255 -PRO CG CD SING N N 256 -PRO CG HG2 SING N N 257 -PRO CG HG3 SING N N 258 -PRO CD HD2 SING N N 259 -PRO CD HD3 SING N N 260 -PRO OXT HXT SING N N 261 -SER N CA SING N N 262 -SER N H SING N N 263 -SER N H2 SING N N 264 -SER CA C SING N N 265 -SER CA CB SING N N 266 -SER CA HA SING N N 267 -SER C O DOUB N N 268 -SER C OXT SING N N 269 -SER CB OG SING N N 270 -SER CB HB2 SING N N 271 -SER CB HB3 SING N N 272 -SER OG HG SING N N 273 -SER OXT HXT SING N N 274 -THR N CA SING N N 275 -THR N H SING N N 276 -THR N H2 SING N N 277 -THR CA C SING N N 278 -THR CA CB SING N N 279 -THR CA HA SING N N 280 -THR C O DOUB N N 281 -THR C OXT SING N N 282 -THR CB OG1 SING N N 283 -THR CB CG2 SING N N 284 -THR CB HB SING N N 285 -THR OG1 HG1 SING N N 286 -THR CG2 HG21 SING N N 287 -THR CG2 HG22 SING N N 288 -THR CG2 HG23 SING N N 289 -THR OXT HXT SING N N 290 -TYR N CA SING N N 291 -TYR N H SING N N 292 -TYR N H2 SING N N 293 -TYR CA C SING N N 294 -TYR CA CB SING N N 295 -TYR CA HA SING N N 296 -TYR C O DOUB N N 297 -TYR C OXT SING N N 298 -TYR CB CG SING N N 299 -TYR CB HB2 SING N N 300 -TYR CB HB3 SING N N 301 -TYR CG CD1 DOUB Y N 302 -TYR CG CD2 SING Y N 303 -TYR CD1 CE1 SING Y N 304 -TYR CD1 HD1 SING N N 305 -TYR CD2 CE2 DOUB Y N 306 -TYR CD2 HD2 SING N N 307 -TYR CE1 CZ DOUB Y N 308 -TYR CE1 HE1 SING N N 309 -TYR CE2 CZ SING Y N 310 -TYR CE2 HE2 SING N N 311 -TYR CZ OH SING N N 312 -TYR OH HH SING N N 313 -TYR OXT HXT SING N N 314 -VAL N CA SING N N 315 -VAL N H SING N N 316 -VAL N H2 SING N N 317 -VAL CA C SING N N 318 -VAL CA CB SING N N 319 -VAL CA HA SING N N 320 -VAL C O DOUB N N 321 -VAL C OXT SING N N 322 -VAL CB CG1 SING N N 323 -VAL CB CG2 SING N N 324 -VAL CB HB SING N N 325 -VAL CG1 HG11 SING N N 326 -VAL CG1 HG12 SING N N 327 -VAL CG1 HG13 SING N N 328 -VAL CG2 HG21 SING N N 329 -VAL CG2 HG22 SING N N 330 -VAL CG2 HG23 SING N N 331 -VAL OXT HXT SING N N 332 -# +data_N +# +_entry.id N +# +loop_ +_atom_type.symbol +C +H +N +O +S +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +chiLife 1 +'Maxx Tessmer' 2 +'Stefan Stoll' 3 +# +_citation.book_publisher ? +_citation.country US +_citation.id primary +_citation.journal_full 'PLoS Computational Biology' +_citation.journal_id_ISSN 1553-734X +_citation.journal_volume 19 +_citation.journal_issue 3 +_citation.journal_page_first e1010834 +_citation.journal_page_last e1010834 +_citation.title +'chiLife: An open-source Python package for in silico spin labeling and integrative protein modeling' +_citation.year 2023 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Maxx Tessmer' 1 +primary 'Stefan Stoll' 2 +# +loop_ +_entity.id +_entity.pdbx_description +_entity.type +1 . polymer +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_type +1 A polypeptide +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n PRO 2 +1 n LEU 3 +1 n GLY 4 +1 n SER 5 +1 n MET 6 +1 n GLN 7 +1 n ILE 8 +1 n PHE 9 +1 n VAL 10 +1 n LYS 11 +1 n THR 12 +1 n LEU 13 +1 n THR 14 +1 n GLY 15 +1 n LYS 16 +1 n THR 17 +1 n ILE 18 +1 n THR 19 +1 n ILE 20 +1 n ASP 21 +1 n VAL 22 +1 n ASP 23 +1 n HIS 24 +1 n ALA 25 +1 n ASP 26 +1 n THR 27 +1 n VAL 28 +1 n GLY 29 +1 n ALA 30 +1 n VAL 31 +1 n LYS 32 +1 n ALA 33 +1 n LYS 34 +1 n ILE 35 +1 n TYR 36 +1 n ASP 37 +1 n LYS 38 +1 n GLU 39 +1 n GLY 40 +1 n ILE 41 +1 n PRO 42 +1 n PRO 43 +1 n ASP 44 +1 n GLN 45 +1 n GLN 46 +1 n ARG 47 +1 n LEU 48 +1 n ILE 49 +1 n PHE 50 +1 n GLY 51 +1 n GLY 52 +1 n LYS 53 +1 n GLN 54 +1 n LEU 55 +1 n GLU 56 +1 n ASP 57 +1 n SER 58 +1 n ASN 59 +1 n ALA 60 +1 n MET 61 +1 n SER 62 +1 n ASP 63 +1 n TYR 64 +1 n ASN 65 +1 n VAL 66 +1 n GLN 67 +1 n LYS 68 +1 n GLU 69 +1 n SER 70 +1 n THR 71 +1 n LEU 72 +1 n HIS 73 +1 n LEU 74 +1 n VAL 75 +1 n LEU 76 +1 n ARG 77 +1 n LEU 78 +1 n ARG 79 +1 n GLY 80 +1 n GLY 81 +1 n VAL 82 +# +_ma_data.content_type model_coordinates +_ma_data.name Model +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.hetero +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.seq_id +A 1 1 n GLY . 1 A 1 +A 2 1 n PRO . 2 A 2 +A 3 1 n LEU . 3 A 3 +A 4 1 n GLY . 4 A 4 +A 5 1 n SER . 5 A 5 +A 6 1 n MET . 6 A 6 +A 7 1 n GLN . 7 A 7 +A 8 1 n ILE . 8 A 8 +A 9 1 n PHE . 9 A 9 +A 10 1 n VAL . 10 A 10 +A 11 1 n LYS . 11 A 11 +A 12 1 n THR . 12 A 12 +A 13 1 n LEU . 13 A 13 +A 14 1 n THR . 14 A 14 +A 15 1 n GLY . 15 A 15 +A 16 1 n LYS . 16 A 16 +A 17 1 n THR . 17 A 17 +A 18 1 n ILE . 18 A 18 +A 19 1 n THR . 19 A 19 +A 20 1 n ILE . 20 A 20 +A 21 1 n ASP . 21 A 21 +A 22 1 n VAL . 22 A 22 +A 23 1 n ASP . 23 A 23 +A 24 1 n HIS . 24 A 24 +A 25 1 n ALA . 25 A 25 +A 26 1 n ASP . 26 A 26 +A 27 1 n THR . 27 A 27 +A 28 1 n VAL . 28 A 28 +A 29 1 n GLY . 29 A 29 +A 30 1 n ALA . 30 A 30 +A 31 1 n VAL . 31 A 31 +A 32 1 n LYS . 32 A 32 +A 33 1 n ALA . 33 A 33 +A 34 1 n LYS . 34 A 34 +A 35 1 n ILE . 35 A 35 +A 36 1 n TYR . 36 A 36 +A 37 1 n ASP . 37 A 37 +A 38 1 n LYS . 38 A 38 +A 39 1 n GLU . 39 A 39 +A 40 1 n GLY . 40 A 40 +A 41 1 n ILE . 41 A 41 +A 42 1 n PRO . 42 A 42 +A 43 1 n PRO . 43 A 43 +A 44 1 n ASP . 44 A 44 +A 45 1 n GLN . 45 A 45 +A 46 1 n GLN . 46 A 46 +A 47 1 n ARG . 47 A 47 +A 48 1 n LEU . 48 A 48 +A 49 1 n ILE . 49 A 49 +A 50 1 n PHE . 50 A 50 +A 51 1 n GLY . 51 A 51 +A 52 1 n GLY . 52 A 52 +A 53 1 n LYS . 53 A 53 +A 54 1 n GLN . 54 A 54 +A 55 1 n LEU . 55 A 55 +A 56 1 n GLU . 56 A 56 +A 57 1 n ASP . 57 A 57 +A 58 1 n SER . 58 A 58 +A 59 1 n ASN . 59 A 59 +A 60 1 n ALA . 60 A 60 +A 61 1 n MET . 61 A 61 +A 62 1 n SER . 62 A 62 +A 63 1 n ASP . 63 A 63 +A 64 1 n TYR . 64 A 64 +A 65 1 n ASN . 65 A 65 +A 66 1 n VAL . 66 A 66 +A 67 1 n GLN . 67 A 67 +A 68 1 n LYS . 68 A 68 +A 69 1 n GLU . 69 A 69 +A 70 1 n SER . 70 A 70 +A 71 1 n THR . 71 A 71 +A 72 1 n LEU . 72 A 72 +A 73 1 n HIS . 73 A 73 +A 74 1 n LEU . 74 A 74 +A 75 1 n VAL . 75 A 75 +A 76 1 n LEU . 76 A 76 +A 77 1 n ARG . 77 A 77 +A 78 1 n LEU . 78 A 78 +A 79 1 n ARG . 79 A 79 +A 80 1 n GLY . 80 A 80 +A 81 1 n GLY . 81 A 81 +A 82 1 n VAL . 82 A 82 +# +_software.classification 'model building' +_software.date 2023-03-31 +_software.description 'Protein modeling' +_software.name chiLife +_software.pdbx_ordinal 1 +_software.type 'python package' +_software.version 1.2.2 +# +loop_ +_struct_asym.entity_id +_struct_asym.id +1 A +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_asym_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 1 ? 1.33 0.0 0.0 1.0 13.0 ? 1 A 1 +ATOM 2 C CA . GLY A 1 1 ? 2.071 0.001 -1.247 1.0 45.03 ? 1 A 1 +ATOM 3 C C . GLY A 1 1 ? 1.548 1.028 -2.232 1.0 65.21 ? 1 A 1 +ATOM 4 O O . GLY A 1 1 ? 0.779 1.922 -1.88 1.0 33.34 ? 1 A 1 +ATOM 5 H H1 . GLY A 1 1 ? 1.811 -0.001 0.854 1.0 52.4 ? 1 A 1 +ATOM 6 H HA2 . GLY A 1 1 ? 3.109 0.215 -1.037 1.0 14.15 ? 1 A 1 +ATOM 7 H HA3 . GLY A 1 1 ? 2.001 -0.979 -1.696 1.0 34.23 ? 1 A 1 +ATOM 8 N N . PRO A 1 2 ? 1.972 0.907 -3.499 1.0 55.32 ? 2 A 1 +ATOM 9 C CA . PRO A 1 2 ? 1.554 1.825 -4.564 1.0 21.43 ? 2 A 1 +ATOM 10 C C . PRO A 1 2 ? 0.085 1.652 -4.934 1.0 41.45 ? 2 A 1 +ATOM 11 O O . PRO A 1 2 ? -0.585 0.739 -4.451 1.0 62.42 ? 2 A 1 +ATOM 12 C CB . PRO A 1 2 ? 2.452 1.434 -5.74 1.0 51.45 ? 2 A 1 +ATOM 13 C CG . PRO A 1 2 ? 2.814 0.012 -5.485 1.0 43.11 ? 2 A 1 +ATOM 14 C CD . PRO A 1 2 ? 2.889 -0.134 -3.99 1.0 64.14 ? 2 A 1 +ATOM 15 H HA . PRO A 1 2 ? 1.738 2.855 -4.295 1.0 31.54 ? 2 A 1 +ATOM 16 H HB2 . PRO A 1 2 ? 1.904 1.543 -6.666 1.0 42.4 ? 2 A 1 +ATOM 17 H HB3 . PRO A 1 2 ? 3.326 2.068 -5.756 1.0 62.54 ? 2 A 1 +ATOM 18 H HG2 . PRO A 1 2 ? 2.053 -0.639 -5.888 1.0 3.22 ? 2 A 1 +ATOM 19 H HG3 . PRO A 1 2 ? 3.773 -0.208 -5.931 1.0 51.14 ? 2 A 1 +ATOM 20 H HD2 . PRO A 1 2 ? 2.555 -1.116 -3.69 1.0 11.0 ? 2 A 1 +ATOM 21 H HD3 . PRO A 1 2 ? 3.896 0.046 -3.644 1.0 24.12 ? 2 A 1 +ATOM 22 N N . LEU A 1 3 ? -0.41 2.535 -5.795 1.0 34.12 ? 3 A 1 +ATOM 23 C CA . LEU A 1 3 ? -1.801 2.48 -6.231 1.0 54.03 ? 3 A 1 +ATOM 24 C C . LEU A 1 3 ? -2.068 3.503 -7.331 1.0 63.21 ? 3 A 1 +ATOM 25 O O . LEU A 1 3 ? -1.295 4.441 -7.521 1.0 11.24 ? 3 A 1 +ATOM 26 C CB . LEU A 1 3 ? -2.738 2.731 -5.048 1.0 60.12 ? 3 A 1 +ATOM 27 C CG . LEU A 1 3 ? -3.691 1.589 -4.692 1.0 64.13 ? 3 A 1 +ATOM 28 C CD1 . LEU A 1 3 ? -3.952 1.559 -3.194 1.0 62.25 ? 3 A 1 +ATOM 29 C CD2 . LEU A 1 3 ? -4.997 1.725 -5.461 1.0 0.12 ? 3 A 1 +ATOM 30 H H . LEU A 1 3 ? 0.172 3.24 -6.145 1.0 52.35 ? 3 A 1 +ATOM 31 H HA . LEU A 1 3 ? -1.987 1.491 -6.623 1.0 43.13 ? 3 A 1 +ATOM 32 H HB2 . LEU A 1 3 ? -2.128 2.935 -4.181 1.0 74.24 ? 3 A 1 +ATOM 33 H HB3 . LEU A 1 3 ? -3.335 3.602 -5.279 1.0 72.41 ? 3 A 1 +ATOM 34 H HG . LEU A 1 3 ? -3.235 0.648 -4.97 1.0 43.5 ? 3 A 1 +ATOM 35 H HD11 . LEU A 1 3 ? -3.269 2.23 -2.696 1.0 50.45 ? 3 A 1 +ATOM 36 H HD12 . LEU A 1 3 ? -3.805 0.555 -2.824 1.0 4.34 ? 3 A 1 +ATOM 37 H HD13 . LEU A 1 3 ? -4.968 1.868 -3.0 1.0 54.42 ? 3 A 1 +ATOM 38 H HD21 . LEU A 1 3 ? -4.854 1.389 -6.477 1.0 23.33 ? 3 A 1 +ATOM 39 H HD22 . LEU A 1 3 ? -5.306 2.76 -5.464 1.0 1.01 ? 3 A 1 +ATOM 40 H HD23 . LEU A 1 3 ? -5.758 1.124 -4.985 1.0 75.24 ? 3 A 1 +ATOM 41 N N . GLY A 1 4 ? -3.169 3.315 -8.053 1.0 4.21 ? 4 A 1 +ATOM 42 C CA . GLY A 1 4 ? -3.519 4.23 -9.123 1.0 43.34 ? 4 A 1 +ATOM 43 C C . GLY A 1 4 ? -4.943 4.041 -9.606 1.0 32.24 ? 4 A 1 +ATOM 44 O O . GLY A 1 4 ? -5.239 3.091 -10.33 1.0 73.31 ? 4 A 1 +ATOM 45 H H . GLY A 1 4 ? -3.748 2.549 -7.857 1.0 2.13 ? 4 A 1 +ATOM 46 H HA2 . GLY A 1 4 ? -3.401 5.243 -8.769 1.0 53.5 ? 4 A 1 +ATOM 47 H HA3 . GLY A 1 4 ? -2.846 4.07 -9.953 1.0 61.41 ? 4 A 1 +ATOM 48 N N . SER A 1 5 ? -5.828 4.946 -9.202 1.0 14.33 ? 5 A 1 +ATOM 49 C CA . SER A 1 5 ? -7.231 4.871 -9.593 1.0 12.42 ? 5 A 1 +ATOM 50 C C . SER A 1 5 ? -7.919 6.221 -9.411 1.0 43.22 ? 5 A 1 +ATOM 51 O O . SER A 1 5 ? -7.815 6.846 -8.356 1.0 33.52 ? 5 A 1 +ATOM 52 C CB . SER A 1 5 ? -7.955 3.803 -8.771 1.0 72.02 ? 5 A 1 +ATOM 53 O OG . SER A 1 5 ? -7.409 2.518 -9.012 1.0 21.35 ? 5 A 1 +ATOM 54 H H . SER A 1 5 ? -5.531 5.681 -8.625 1.0 31.12 ? 5 A 1 +ATOM 55 H HA . SER A 1 5 ? -7.27 4.598 -10.637 1.0 12.32 ? 5 A 1 +ATOM 56 H HB2 . SER A 1 5 ? -7.857 4.032 -7.721 1.0 41.01 ? 5 A 1 +ATOM 57 H HB3 . SER A 1 5 ? -9.001 3.793 -9.041 1.0 74.13 ? 5 A 1 +ATOM 58 H HG . SER A 1 5 ? -7.616 1.939 -8.275 1.0 33.45 ? 5 A 1 +ATOM 59 N N . MET A 1 6 ? -8.62 6.665 -10.449 1.0 14.01 ? 6 A 1 +ATOM 60 C CA . MET A 1 6 ? -9.326 7.94 -10.404 1.0 54.33 ? 6 A 1 +ATOM 61 C C . MET A 1 6 ? -10.558 7.912 -11.304 1.0 31.44 ? 6 A 1 +ATOM 62 O O . MET A 1 6 ? -10.47 7.561 -12.48 1.0 1.11 ? 6 A 1 +ATOM 63 C CB . MET A 1 6 ? -8.396 9.078 -10.83 1.0 70.21 ? 6 A 1 +ATOM 64 C CG . MET A 1 6 ? -7.818 8.9 -12.225 1.0 25.05 ? 6 A 1 +ATOM 65 S SD . MET A 1 6 ? -6.019 8.776 -12.22 1.0 3.44 ? 6 A 1 +ATOM 66 C CE . MET A 1 6 ? -5.791 7.175 -11.45 1.0 13.21 ? 6 A 1 +ATOM 67 H H . MET A 1 6 ? -8.666 6.122 -11.264 1.0 2.32 ? 6 A 1 +ATOM 68 H HA . MET A 1 6 ? -9.643 8.108 -9.386 1.0 5.22 ? 6 A 1 +ATOM 69 H HB2 . MET A 1 6 ? -8.948 10.006 -10.808 1.0 62.43 ? 6 A 1 +ATOM 70 H HB3 . MET A 1 6 ? -7.577 9.139 -10.129 1.0 63.34 ? 6 A 1 +ATOM 71 H HG2 . MET A 1 6 ? -8.224 7.998 -12.657 1.0 33.13 ? 6 A 1 +ATOM 72 H HG3 . MET A 1 6 ? -8.105 9.747 -12.829 1.0 12.41 ? 6 A 1 +ATOM 73 H HE1 . MET A 1 6 ? -5.835 7.283 -10.376 1.0 12.23 ? 6 A 1 +ATOM 74 H HE2 . MET A 1 6 ? -6.572 6.504 -11.776 1.0 52.54 ? 6 A 1 +ATOM 75 H HE3 . MET A 1 6 ? -4.83 6.773 -11.733 1.0 2.41 ? 6 A 1 +ATOM 76 N N . GLN A 1 7 ? -11.704 8.282 -10.742 1.0 13.12 ? 7 A 1 +ATOM 77 C CA . GLN A 1 7 ? -12.953 8.297 -11.494 1.0 13.2 ? 7 A 1 +ATOM 78 C C . GLN A 1 7 ? -13.209 9.674 -12.097 1.0 42.42 ? 7 A 1 +ATOM 79 O O . GLN A 1 7 ? -12.659 10.676 -11.637 1.0 71.33 ? 7 A 1 +ATOM 80 C CB . GLN A 1 7 ? -14.122 7.898 -10.591 1.0 42.01 ? 7 A 1 +ATOM 81 C CG . GLN A 1 7 ? -13.784 6.78 -9.618 1.0 12.34 ? 7 A 1 +ATOM 82 C CD . GLN A 1 7 ? -13.385 7.298 -8.25 1.0 44.31 ? 7 A 1 +ATOM 83 O OE1 . GLN A 1 7 ? -13.361 8.507 -8.014 1.0 33.44 ? 7 A 1 +ATOM 84 N NE2 . GLN A 1 7 ? -13.067 6.385 -7.34 1.0 73.32 ? 7 A 1 +ATOM 85 H H . GLN A 1 7 ? -11.71 8.551 -9.8 1.0 71.21 ? 7 A 1 +ATOM 86 H HA . GLN A 1 7 ? -12.867 7.578 -12.294 1.0 62.03 ? 7 A 1 +ATOM 87 H HB2 . GLN A 1 7 ? -14.432 8.761 -10.022 1.0 13.25 ? 7 A 1 +ATOM 88 H HB3 . GLN A 1 7 ? -14.944 7.57 -11.21 1.0 41.42 ? 7 A 1 +ATOM 89 H HG2 . GLN A 1 7 ? -14.65 6.144 -9.505 1.0 43.33 ? 7 A 1 +ATOM 90 H HG3 . GLN A 1 7 ? -12.965 6.204 -10.022 1.0 33.21 ? 7 A 1 +ATOM 91 H HE21 . GLN A 1 7 ? -13.107 5.44 -7.6 1.0 52.01 ? 7 A 1 +ATOM 92 H HE22 . GLN A 1 7 ? -12.804 6.691 -6.448 1.0 55.43 ? 7 A 1 +ATOM 93 N N . ILE A 1 8 ? -14.045 9.717 -13.129 1.0 12.12 ? 8 A 1 +ATOM 94 C CA . ILE A 1 8 ? -14.374 10.972 -13.794 1.0 64.2 ? 8 A 1 +ATOM 95 C C . ILE A 1 8 ? -15.883 11.149 -13.919 1.0 0.33 ? 8 A 1 +ATOM 96 O O . ILE A 1 8 ? -16.637 10.176 -13.9 1.0 11.35 ? 8 A 1 +ATOM 97 C CB . ILE A 1 8 ? -13.742 11.048 -15.196 1.0 65.34 ? 8 A 1 +ATOM 98 C CG1 . ILE A 1 8 ? -12.943 9.776 -15.489 1.0 72.33 ? 8 A 1 +ATOM 99 C CG2 . ILE A 1 8 ? -12.851 12.276 -15.31 1.0 55.24 ? 8 A 1 +ATOM 100 C CD1 . ILE A 1 8 ? -12.441 9.692 -16.914 1.0 11.02 ? 8 A 1 +ATOM 101 H H . ILE A 1 8 ? -14.452 8.885 -13.449 1.0 43.45 ? 8 A 1 +ATOM 102 H HA . ILE A 1 8 ? -13.975 11.779 -13.197 1.0 41.41 ? 8 A 1 +ATOM 103 H HB . ILE A 1 8 ? -14.536 11.14 -15.921 1.0 13.24 ? 8 A 1 +ATOM 104 H HG12 . ILE A 1 8 ? -12.088 9.736 -14.834 1.0 4.11 ? 8 A 1 +ATOM 105 H HG13 . ILE A 1 8 ? -13.571 8.916 -15.307 1.0 33.41 ? 8 A 1 +ATOM 106 H HG21 . ILE A 1 8 ? -13.465 13.153 -15.455 1.0 12.11 ? 8 A 1 +ATOM 107 H HG22 . ILE A 1 8 ? -12.274 12.387 -14.405 1.0 14.43 ? 8 A 1 +ATOM 108 H HG23 . ILE A 1 8 ? -12.184 12.161 -16.151 1.0 53.13 ? 8 A 1 +ATOM 109 H HD11 . ILE A 1 8 ? -12.638 10.626 -17.42 1.0 4.51 ? 8 A 1 +ATOM 110 H HD12 . ILE A 1 8 ? -11.378 9.503 -16.911 1.0 22.53 ? 8 A 1 +ATOM 111 H HD13 . ILE A 1 8 ? -12.949 8.891 -17.429 1.0 32.23 ? 8 A 1 +ATOM 112 N N . PHE A 1 9 ? -16.318 12.398 -14.048 1.0 44.42 ? 9 A 1 +ATOM 113 C CA . PHE A 1 9 ? -17.738 12.704 -14.177 1.0 45.42 ? 9 A 1 +ATOM 114 C C . PHE A 1 9 ? -18.066 13.177 -15.59 1.0 62.05 ? 9 A 1 +ATOM 115 O O . PHE A 1 9 ? -17.464 14.125 -16.096 1.0 33.13 ? 9 A 1 +ATOM 116 C CB . PHE A 1 9 ? -18.145 13.774 -13.162 1.0 42.3 ? 9 A 1 +ATOM 117 C CG . PHE A 1 9 ? -19.027 13.253 -12.063 1.0 44.44 ? 9 A 1 +ATOM 118 C CD1 . PHE A 1 9 ? -20.265 12.703 -12.353 1.0 24.21 ? 9 A 1 +ATOM 119 C CD2 . PHE A 1 9 ? -18.618 13.315 -10.741 1.0 24.11 ? 9 A 1 +ATOM 120 C CE1 . PHE A 1 9 ? -21.078 12.222 -11.344 1.0 54.33 ? 9 A 1 +ATOM 121 C CE2 . PHE A 1 9 ? -19.427 12.836 -9.728 1.0 62.43 ? 9 A 1 +ATOM 122 C CZ . PHE A 1 9 ? -20.659 12.29 -10.03 1.0 72.21 ? 9 A 1 +ATOM 123 H H . PHE A 1 9 ? -15.667 13.132 -14.057 1.0 15.35 ? 9 A 1 +ATOM 124 H HA . PHE A 1 9 ? -18.29 11.8 -13.975 1.0 72.15 ? 9 A 1 +ATOM 125 H HB2 . PHE A 1 9 ? -17.256 14.185 -12.707 1.0 13.22 ? 9 A 1 +ATOM 126 H HB3 . PHE A 1 9 ? -18.679 14.561 -13.674 1.0 20.44 ? 9 A 1 +ATOM 127 H HD1 . PHE A 1 9 ? -20.594 12.65 -13.381 1.0 63.23 ? 9 A 1 +ATOM 128 H HD2 . PHE A 1 9 ? -17.655 13.742 -10.503 1.0 43.5 ? 9 A 1 +ATOM 129 H HE1 . PHE A 1 9 ? -22.041 11.796 -11.584 1.0 53.21 ? 9 A 1 +ATOM 130 H HE2 . PHE A 1 9 ? -19.097 12.89 -8.701 1.0 61.25 ? 9 A 1 +ATOM 131 H HZ . PHE A 1 9 ? -21.293 11.914 -9.241 1.0 11.33 ? 9 A 1 +ATOM 132 N N . VAL A 1 10 ? -19.024 12.509 -16.224 1.0 35.51 ? 10 A 1 +ATOM 133 C CA . VAL A 1 10 ? -19.434 12.859 -17.578 1.0 51.35 ? 10 A 1 +ATOM 134 C C . VAL A 1 10 ? -20.874 13.36 -17.605 1.0 20.3 ? 10 A 1 +ATOM 135 O O . VAL A 1 10 ? -21.771 12.734 -17.041 1.0 33.54 ? 10 A 1 +ATOM 136 C CB . VAL A 1 10 ? -19.302 11.658 -18.534 1.0 1.24 ? 10 A 1 +ATOM 137 C CG1 . VAL A 1 10 ? -18.919 12.125 -19.929 1.0 43.55 ? 10 A 1 +ATOM 138 C CG2 . VAL A 1 10 ? -18.285 10.662 -17.998 1.0 70.41 ? 10 A 1 +ATOM 139 H H . VAL A 1 10 ? -19.467 11.762 -15.769 1.0 13.11 ? 10 A 1 +ATOM 140 H HA . VAL A 1 10 ? -18.783 13.646 -17.931 1.0 52.2 ? 10 A 1 +ATOM 141 H HB . VAL A 1 10 ? -20.261 11.165 -18.594 1.0 21.21 ? 10 A 1 +ATOM 142 H HG11 . VAL A 1 10 ? -17.843 12.2 -20.001 1.0 75.22 ? 10 A 1 +ATOM 143 H HG12 . VAL A 1 10 ? -19.281 11.416 -20.659 1.0 54.41 ? 10 A 1 +ATOM 144 H HG13 . VAL A 1 10 ? -19.359 13.094 -20.118 1.0 61.31 ? 10 A 1 +ATOM 145 H HG21 . VAL A 1 10 ? -18.694 10.157 -17.136 1.0 13.24 ? 10 A 1 +ATOM 146 H HG22 . VAL A 1 10 ? -18.055 9.937 -18.764 1.0 62.44 ? 10 A 1 +ATOM 147 H HG23 . VAL A 1 10 ? -17.383 11.184 -17.715 1.0 2.35 ? 10 A 1 +ATOM 148 N N . LYS A 1 11 ? -21.089 14.493 -18.265 1.0 23.3 ? 11 A 1 +ATOM 149 C CA . LYS A 1 11 ? -22.42 15.078 -18.368 1.0 10.31 ? 11 A 1 +ATOM 150 C C . LYS A 1 11 ? -22.966 14.943 -19.786 1.0 22.12 ? 11 A 1 +ATOM 151 O O . LYS A 1 11 ? -22.436 15.536 -20.726 1.0 63.21 ? 11 A 1 +ATOM 152 C CB . LYS A 1 11 ? -22.383 16.554 -17.963 1.0 34.41 ? 11 A 1 +ATOM 153 C CG . LYS A 1 11 ? -23.659 17.308 -18.297 1.0 63.11 ? 11 A 1 +ATOM 154 C CD . LYS A 1 11 ? -23.539 18.784 -17.958 1.0 3.15 ? 11 A 1 +ATOM 155 C CE . LYS A 1 11 ? -23.013 19.586 -19.138 1.0 2.52 ? 11 A 1 +ATOM 156 N NZ . LYS A 1 11 ? -23.113 21.053 -18.9 1.0 51.12 ? 11 A 1 +ATOM 157 H H . LYS A 1 11 ? -20.333 14.946 -18.695 1.0 4.15 ? 11 A 1 +ATOM 158 H HA . LYS A 1 11 ? -23.071 14.544 -17.692 1.0 44.21 ? 11 A 1 +ATOM 159 H HB2 . LYS A 1 11 ? -22.22 16.618 -16.897 1.0 75.01 ? 11 A 1 +ATOM 160 H HB3 . LYS A 1 11 ? -21.561 17.034 -18.474 1.0 15.43 ? 11 A 1 +ATOM 161 H HG2 . LYS A 1 11 ? -23.859 17.208 -19.353 1.0 73.24 ? 11 A 1 +ATOM 162 H HG3 . LYS A 1 11 ? -24.476 16.883 -17.732 1.0 30.03 ? 11 A 1 +ATOM 163 H HD2 . LYS A 1 11 ? -24.513 19.163 -17.685 1.0 63.51 ? 11 A 1 +ATOM 164 H HD3 . LYS A 1 11 ? -22.86 18.899 -17.124 1.0 61.22 ? 11 A 1 +ATOM 165 H HE2 . LYS A 1 11 ? -21.978 19.327 -19.3 1.0 70.24 ? 11 A 1 +ATOM 166 H HE3 . LYS A 1 11 ? -23.59 19.332 -20.015 1.0 3.13 ? 11 A 1 +ATOM 167 H HZ1 . LYS A 1 11 ? -23.763 21.483 -19.589 1.0 1.34 ? 11 A 1 +ATOM 168 H HZ2 . LYS A 1 11 ? -22.177 21.496 -18.999 1.0 61.44 ? 11 A 1 +ATOM 169 H HZ3 . LYS A 1 11 ? -23.47 21.236 -17.941 1.0 12.11 ? 11 A 1 +ATOM 170 N N . THR A 1 12 ? -24.03 14.16 -19.933 1.0 60.33 ? 12 A 1 +ATOM 171 C CA . THR A 1 12 ? -24.648 13.947 -21.236 1.0 63.11 ? 12 A 1 +ATOM 172 C C . THR A 1 12 ? -25.436 15.175 -21.678 1.0 63.2 ? 12 A 1 +ATOM 173 O O . THR A 1 12 ? -25.789 16.026 -20.861 1.0 23.14 ? 12 A 1 +ATOM 174 C CB . THR A 1 12 ? -25.587 12.726 -21.22 1.0 13.53 ? 12 A 1 +ATOM 175 O OG1 . THR A 1 12 ? -26.7 12.976 -20.353 1.0 44.22 ? 12 A 1 +ATOM 176 C CG2 . THR A 1 12 ? -24.848 11.48 -20.757 1.0 44.25 ? 12 A 1 +ATOM 177 H H . THR A 1 12 ? -24.407 13.714 -19.146 1.0 50.31 ? 12 A 1 +ATOM 178 H HA . THR A 1 12 ? -23.86 13.759 -21.952 1.0 15.31 ? 12 A 1 +ATOM 179 H HB . THR A 1 12 ? -25.953 12.559 -22.223 1.0 3.11 ? 12 A 1 +ATOM 180 H HG1 . THR A 1 12 ? -27.49 12.577 -20.724 1.0 54.01 ? 12 A 1 +ATOM 181 H HG21 . THR A 1 12 ? -25.377 11.034 -19.929 1.0 54.24 ? 12 A 1 +ATOM 182 H HG22 . THR A 1 12 ? -23.85 11.749 -20.443 1.0 51.32 ? 12 A 1 +ATOM 183 H HG23 . THR A 1 12 ? -24.79 10.773 -21.571 1.0 74.05 ? 12 A 1 +ATOM 184 N N . LEU A 1 13 ? -25.709 15.261 -22.975 1.0 74.21 ? 13 A 1 +ATOM 185 C CA . LEU A 1 13 ? -26.457 16.386 -23.526 1.0 74.52 ? 13 A 1 +ATOM 186 C C . LEU A 1 13 ? -27.837 16.49 -22.883 1.0 25.21 ? 13 A 1 +ATOM 187 O O . LEU A 1 13 ? -28.479 17.539 -22.932 1.0 11.35 ? 13 A 1 +ATOM 188 C CB . LEU A 1 13 ? -26.599 16.236 -25.042 1.0 31.51 ? 13 A 1 +ATOM 189 C CG . LEU A 1 13 ? -27.097 17.47 -25.795 1.0 30.32 ? 13 A 1 +ATOM 190 C CD1 . LEU A 1 13 ? -25.937 18.392 -26.134 1.0 44.31 ? 13 A 1 +ATOM 191 C CD2 . LEU A 1 13 ? -27.842 17.06 -27.057 1.0 64.01 ? 13 A 1 +ATOM 192 H H . LEU A 1 13 ? -25.402 14.552 -23.577 1.0 42.02 ? 13 A 1 +ATOM 193 H HA . LEU A 1 13 ? -25.904 17.288 -23.312 1.0 34.1 ? 13 A 1 +ATOM 194 H HB2 . LEU A 1 13 ? -25.631 15.974 -25.44 1.0 62.11 ? 13 A 1 +ATOM 195 H HB3 . LEU A 1 13 ? -27.294 15.429 -25.23 1.0 43.21 ? 13 A 1 +ATOM 196 H HG . LEU A 1 13 ? -27.784 18.016 -25.163 1.0 45.4 ? 13 A 1 +ATOM 197 H HD11 . LEU A 1 13 ? -25.014 17.833 -26.112 1.0 62.23 ? 13 A 1 +ATOM 198 H HD12 . LEU A 1 13 ? -25.89 19.193 -25.411 1.0 23.44 ? 13 A 1 +ATOM 199 H HD13 . LEU A 1 13 ? -26.084 18.808 -27.121 1.0 25.55 ? 13 A 1 +ATOM 200 H HD21 . LEU A 1 13 ? -28.19 16.043 -26.955 1.0 62.14 ? 13 A 1 +ATOM 201 H HD22 . LEU A 1 13 ? -27.177 17.13 -27.905 1.0 41.34 ? 13 A 1 +ATOM 202 H HD23 . LEU A 1 13 ? -28.686 17.717 -27.206 1.0 51.42 ? 13 A 1 +ATOM 203 N N . THR A 1 14 ? -28.286 15.395 -22.278 1.0 31.41 ? 14 A 1 +ATOM 204 C CA . THR A 1 14 ? -29.588 15.363 -21.624 1.0 30.33 ? 14 A 1 +ATOM 205 C C . THR A 1 14 ? -29.474 15.746 -20.153 1.0 22.13 ? 14 A 1 +ATOM 206 O O . THR A 1 14 ? -30.434 15.623 -19.393 1.0 5.31 ? 14 A 1 +ATOM 207 C CB . THR A 1 14 ? -30.236 13.97 -21.731 1.0 34.54 ? 14 A 1 +ATOM 208 O OG1 . THR A 1 14 ? -29.473 13.015 -20.985 1.0 3.22 ? 14 A 1 +ATOM 209 C CG2 . THR A 1 14 ? -30.331 13.527 -23.183 1.0 34.11 ? 14 A 1 +ATOM 210 H H . THR A 1 14 ? -27.728 14.589 -22.273 1.0 2.31 ? 14 A 1 +ATOM 211 H HA . THR A 1 14 ? -30.23 16.075 -22.123 1.0 25.44 ? 14 A 1 +ATOM 212 H HB . THR A 1 14 ? -31.234 14.021 -21.319 1.0 55.24 ? 14 A 1 +ATOM 213 H HG1 . THR A 1 14 ? -30.068 12.435 -20.504 1.0 24.42 ? 14 A 1 +ATOM 214 H HG21 . THR A 1 14 ? -30.887 14.261 -23.747 1.0 1.02 ? 14 A 1 +ATOM 215 H HG22 . THR A 1 14 ? -30.837 12.574 -23.237 1.0 12.23 ? 14 A 1 +ATOM 216 H HG23 . THR A 1 14 ? -29.338 13.431 -23.596 1.0 12.42 ? 14 A 1 +ATOM 217 N N . GLY A 1 15 ? -28.293 16.212 -19.757 1.0 61.2 ? 15 A 1 +ATOM 218 C CA . GLY A 1 15 ? -28.076 16.607 -18.378 1.0 25.44 ? 15 A 1 +ATOM 219 C C . GLY A 1 15 ? -28.057 15.422 -17.432 1.0 2.34 ? 15 A 1 +ATOM 220 O O . GLY A 1 15 ? -28.844 15.36 -16.487 1.0 24.03 ? 15 A 1 +ATOM 221 H H . GLY A 1 15 ? -27.563 16.288 -20.407 1.0 73.22 ? 15 A 1 +ATOM 222 H HA2 . GLY A 1 15 ? -27.131 17.125 -18.308 1.0 10.15 ? 15 A 1 +ATOM 223 H HA3 . GLY A 1 15 ? -28.867 17.279 -18.079 1.0 23.53 ? 15 A 1 +ATOM 224 N N . LYS A 1 16 ? -27.157 14.478 -17.686 1.0 11.21 ? 16 A 1 +ATOM 225 C CA . LYS A 1 16 ? -27.038 13.289 -16.851 1.0 34.13 ? 16 A 1 +ATOM 226 C C . LYS A 1 16 ? -25.614 13.132 -16.327 1.0 15.24 ? 16 A 1 +ATOM 227 O O . LYS A 1 16 ? -24.664 13.025 -17.102 1.0 50.04 ? 16 A 1 +ATOM 228 C CB . LYS A 1 16 ? -27.442 12.043 -17.642 1.0 31.42 ? 16 A 1 +ATOM 229 C CG . LYS A 1 16 ? -28.098 10.969 -16.791 1.0 73.35 ? 16 A 1 +ATOM 230 C CD . LYS A 1 16 ? -27.069 10.023 -16.195 1.0 50.3 ? 16 A 1 +ATOM 231 C CE . LYS A 1 16 ? -26.406 9.172 -17.267 1.0 52.44 ? 16 A 1 +ATOM 232 N NZ . LYS A 1 16 ? -26.843 7.75 -17.196 1.0 2.53 ? 16 A 1 +ATOM 233 H H . LYS A 1 16 ? -26.557 14.584 -18.454 1.0 52.54 ? 16 A 1 +ATOM 234 H HA . LYS A 1 16 ? -27.707 13.405 -16.012 1.0 34.34 ? 16 A 1 +ATOM 235 H HB2 . LYS A 1 16 ? -28.136 12.332 -18.417 1.0 44.24 ? 16 A 1 +ATOM 236 H HB3 . LYS A 1 16 ? -26.559 11.62 -18.1 1.0 12.13 ? 16 A 1 +ATOM 237 H HG2 . LYS A 1 16 ? -28.645 11.441 -15.989 1.0 3.41 ? 16 A 1 +ATOM 238 H HG3 . LYS A 1 16 ? -28.78 10.401 -17.408 1.0 74.14 ? 16 A 1 +ATOM 239 H HD2 . LYS A 1 16 ? -26.31 10.603 -15.691 1.0 63.23 ? 16 A 1 +ATOM 240 H HD3 . LYS A 1 16 ? -27.559 9.373 -15.484 1.0 14.51 ? 16 A 1 +ATOM 241 H HE2 . LYS A 1 16 ? -26.666 9.571 -18.236 1.0 44.12 ? 16 A 1 +ATOM 242 H HE3 . LYS A 1 16 ? -25.335 9.219 -17.134 1.0 75.31 ? 16 A 1 +ATOM 243 H HZ1 . LYS A 1 16 ? -27.802 7.691 -16.798 1.0 61.55 ? 16 A 1 +ATOM 244 H HZ2 . LYS A 1 16 ? -26.194 7.208 -16.591 1.0 23.15 ? 16 A 1 +ATOM 245 H HZ3 . LYS A 1 16 ? -26.846 7.329 -18.146 1.0 43.23 ? 16 A 1 +ATOM 246 N N . THR A 1 17 ? -25.473 13.118 -15.005 1.0 33.03 ? 17 A 1 +ATOM 247 C CA . THR A 1 17 ? -24.166 12.974 -14.377 1.0 61.21 ? 17 A 1 +ATOM 248 C C . THR A 1 17 ? -23.827 11.506 -14.143 1.0 13.11 ? 17 A 1 +ATOM 249 O O . THR A 1 17 ? -24.531 10.806 -13.415 1.0 32.24 ? 17 A 1 +ATOM 250 C CB . THR A 1 17 ? -24.102 13.725 -13.034 1.0 22.54 ? 17 A 1 +ATOM 251 O OG1 . THR A 1 17 ? -25.414 13.833 -12.47 1.0 24.32 ? 17 A 1 +ATOM 252 C CG2 . THR A 1 17 ? -23.507 15.113 -13.217 1.0 72.42 ? 17 A 1 +ATOM 253 H H . THR A 1 17 ? -26.269 13.208 -14.439 1.0 63.53 ? 17 A 1 +ATOM 254 H HA . THR A 1 17 ? -23.428 13.402 -15.041 1.0 15.15 ? 17 A 1 +ATOM 255 H HB . THR A 1 17 ? -23.472 13.166 -12.356 1.0 61.22 ? 17 A 1 +ATOM 256 H HG1 . THR A 1 17 ? -25.36 14.271 -11.617 1.0 54.0 ? 17 A 1 +ATOM 257 H HG21 . THR A 1 17 ? -24.301 15.844 -13.24 1.0 31.34 ? 17 A 1 +ATOM 258 H HG22 . THR A 1 17 ? -22.958 15.149 -14.147 1.0 12.24 ? 17 A 1 +ATOM 259 H HG23 . THR A 1 17 ? -22.84 15.33 -12.396 1.0 74.01 ? 17 A 1 +ATOM 260 N N . ILE A 1 18 ? -22.746 11.047 -14.764 1.0 21.15 ? 18 A 1 +ATOM 261 C CA . ILE A 1 18 ? -22.314 9.662 -14.62 1.0 42.23 ? 18 A 1 +ATOM 262 C C . ILE A 1 18 ? -20.885 9.584 -14.094 1.0 2.02 ? 18 A 1 +ATOM 263 O O . ILE A 1 18 ? -20.033 10.399 -14.452 1.0 34.24 ? 18 A 1 +ATOM 264 C CB . ILE A 1 18 ? -22.398 8.905 -15.959 1.0 20.13 ? 18 A 1 +ATOM 265 C CG1 . ILE A 1 18 ? -21.691 7.552 -15.85 1.0 0.43 ? 18 A 1 +ATOM 266 C CG2 . ILE A 1 18 ? -21.79 9.738 -17.078 1.0 34.34 ? 18 A 1 +ATOM 267 C CD1 . ILE A 1 18 ? -21.953 6.637 -17.025 1.0 41.12 ? 18 A 1 +ATOM 268 H H . ILE A 1 18 ? -22.226 11.654 -15.33 1.0 72.35 ? 18 A 1 +ATOM 269 H HA . ILE A 1 18 ? -22.973 9.179 -13.914 1.0 33.1 ? 18 A 1 +ATOM 270 H HB . ILE A 1 18 ? -23.439 8.741 -16.189 1.0 55.23 ? 18 A 1 +ATOM 271 H HG12 . ILE A 1 18 ? -20.626 7.714 -15.787 1.0 35.45 ? 18 A 1 +ATOM 272 H HG13 . ILE A 1 18 ? -22.028 7.049 -14.955 1.0 15.51 ? 18 A 1 +ATOM 273 H HG21 . ILE A 1 18 ? -21.662 9.122 -17.956 1.0 31.24 ? 18 A 1 +ATOM 274 H HG22 . ILE A 1 18 ? -22.448 10.562 -17.31 1.0 60.32 ? 18 A 1 +ATOM 275 H HG23 . ILE A 1 18 ? -20.831 10.12 -16.762 1.0 71.44 ? 18 A 1 +ATOM 276 H HD11 . ILE A 1 18 ? -22.28 7.224 -17.872 1.0 32.31 ? 18 A 1 +ATOM 277 H HD12 . ILE A 1 18 ? -21.045 6.112 -17.282 1.0 60.24 ? 18 A 1 +ATOM 278 H HD13 . ILE A 1 18 ? -22.721 5.925 -16.764 1.0 25.35 ? 18 A 1 +ATOM 279 N N . THR A 1 19 ? -20.627 8.596 -13.242 1.0 42.32 ? 19 A 1 +ATOM 280 C CA . THR A 1 19 ? -19.301 8.41 -12.666 1.0 41.24 ? 19 A 1 +ATOM 281 C C . THR A 1 19 ? -18.67 7.109 -13.148 1.0 70.21 ? 19 A 1 +ATOM 282 O O . THR A 1 19 ? -19.325 6.066 -13.182 1.0 44.42 ? 19 A 1 +ATOM 283 C CB . THR A 1 19 ? -19.353 8.403 -11.127 1.0 2.4 ? 19 A 1 +ATOM 284 O OG1 . THR A 1 19 ? -20.631 8.868 -10.678 1.0 22.32 ? 19 A 1 +ATOM 285 C CG2 . THR A 1 19 ? -18.255 9.281 -10.545 1.0 13.14 ? 19 A 1 +ATOM 286 H H . THR A 1 19 ? -21.347 7.979 -12.996 1.0 1.15 ? 19 A 1 +ATOM 287 H HA . THR A 1 19 ? -18.682 9.238 -12.981 1.0 65.43 ? 19 A 1 +ATOM 288 H HB . THR A 1 19 ? -19.205 7.39 -10.781 1.0 44.24 ? 19 A 1 +ATOM 289 H HG1 . THR A 1 19 ? -20.846 8.452 -9.839 1.0 60.25 ? 19 A 1 +ATOM 290 H HG21 . THR A 1 19 ? -18.525 10.32 -10.662 1.0 73.33 ? 19 A 1 +ATOM 291 H HG22 . THR A 1 19 ? -17.328 9.09 -11.064 1.0 23.45 ? 19 A 1 +ATOM 292 H HG23 . THR A 1 19 ? -18.134 9.057 -9.495 1.0 51.03 ? 19 A 1 +ATOM 293 N N . ILE A 1 20 ? -17.396 7.176 -13.519 1.0 2.13 ? 20 A 1 +ATOM 294 C CA . ILE A 1 20 ? -16.677 6.002 -13.997 1.0 23.24 ? 20 A 1 +ATOM 295 C C . ILE A 1 20 ? -15.231 6.008 -13.512 1.0 21.51 ? 20 A 1 +ATOM 296 O O . ILE A 1 20 ? -14.54 7.022 -13.601 1.0 3.54 ? 20 A 1 +ATOM 297 C CB . ILE A 1 20 ? -16.69 5.92 -15.534 1.0 55.55 ? 20 A 1 +ATOM 298 C CG1 . ILE A 1 20 ? -16.581 7.32 -16.142 1.0 1.5 ? 20 A 1 +ATOM 299 C CG2 . ILE A 1 20 ? -17.955 5.225 -16.017 1.0 1.32 ? 20 A 1 +ATOM 300 C CD1 . ILE A 1 20 ? -15.747 7.368 -17.403 1.0 2.4 ? 20 A 1 +ATOM 301 H H . ILE A 1 20 ? -16.928 8.036 -13.469 1.0 32.52 ? 20 A 1 +ATOM 302 H HA . ILE A 1 20 ? -17.173 5.125 -13.605 1.0 40.32 ? 20 A 1 +ATOM 303 H HB . ILE A 1 20 ? -15.842 5.332 -15.849 1.0 75.22 ? 20 A 1 +ATOM 304 H HG12 . ILE A 1 20 ? -17.569 7.679 -16.385 1.0 4.24 ? 20 A 1 +ATOM 305 H HG13 . ILE A 1 20 ? -16.129 7.984 -15.419 1.0 20.02 ? 20 A 1 +ATOM 306 H HG21 . ILE A 1 20 ? -18.761 5.942 -16.072 1.0 41.11 ? 20 A 1 +ATOM 307 H HG22 . ILE A 1 20 ? -17.782 4.803 -16.995 1.0 51.34 ? 20 A 1 +ATOM 308 H HG23 . ILE A 1 20 ? -18.219 4.439 -15.326 1.0 74.34 ? 20 A 1 +ATOM 309 H HD11 . ILE A 1 20 ? -15.707 6.383 -17.845 1.0 44.23 ? 20 A 1 +ATOM 310 H HD12 . ILE A 1 20 ? -16.193 8.058 -18.104 1.0 43.31 ? 20 A 1 +ATOM 311 H HD13 . ILE A 1 20 ? -14.747 7.695 -17.162 1.0 23.14 ? 20 A 1 +ATOM 312 N N . ASP A 1 21 ? -14.78 4.867 -13.001 1.0 44.41 ? 21 A 1 +ATOM 313 C CA . ASP A 1 21 ? -13.414 4.739 -12.505 1.0 13.43 ? 21 A 1 +ATOM 314 C C . ASP A 1 21 ? -12.438 4.504 -13.653 1.0 74.52 ? 21 A 1 +ATOM 315 O O . ASP A 1 21 ? -12.66 3.64 -14.503 1.0 3.25 ? 21 A 1 +ATOM 316 C CB . ASP A 1 21 ? -13.321 3.593 -11.496 1.0 40.32 ? 21 A 1 +ATOM 317 C CG . ASP A 1 21 ? -13.941 2.312 -12.017 1.0 70.32 ? 21 A 1 +ATOM 318 O OD1 . ASP A 1 21 ? -13.229 1.541 -12.695 1.0 34.41 ? 21 A 1 +ATOM 319 O OD2 . ASP A 1 21 ? -15.138 2.079 -11.747 1.0 4.34 ? 21 A 1 +ATOM 320 H H . ASP A 1 21 ? -15.379 4.093 -12.957 1.0 61.24 ? 21 A 1 +ATOM 321 H HA . ASP A 1 21 ? -13.153 5.663 -12.011 1.0 0.1 ? 21 A 1 +ATOM 322 H HB2 . ASP A 1 21 ? -12.281 3.403 -11.272 1.0 73.15 ? 21 A 1 +ATOM 323 H HB3 . ASP A 1 21 ? -13.834 3.878 -10.589 1.0 61.23 ? 21 A 1 +ATOM 324 N N . VAL A 1 22 ? -11.358 5.278 -13.674 1.0 30.34 ? 22 A 1 +ATOM 325 C CA . VAL A 1 22 ? -10.348 5.153 -14.718 1.0 1.34 ? 22 A 1 +ATOM 326 C C . VAL A 1 22 ? -8.946 5.35 -14.152 1.0 61.2 ? 22 A 1 +ATOM 327 O O . VAL A 1 22 ? -8.779 5.83 -13.031 1.0 34.03 ? 22 A 1 +ATOM 328 C CB . VAL A 1 22 ? -10.581 6.173 -15.848 1.0 60.13 ? 22 A 1 +ATOM 329 C CG1 . VAL A 1 22 ? -12.045 6.58 -15.907 1.0 14.0 ? 22 A 1 +ATOM 330 C CG2 . VAL A 1 22 ? -9.688 7.39 -15.66 1.0 61.12 ? 22 A 1 +ATOM 331 H H . VAL A 1 22 ? -11.237 5.948 -12.969 1.0 71.0 ? 22 A 1 +ATOM 332 H HA . VAL A 1 22 ? -10.421 4.16 -15.136 1.0 41.13 ? 22 A 1 +ATOM 333 H HB . VAL A 1 22 ? -10.323 5.705 -16.787 1.0 23.42 ? 22 A 1 +ATOM 334 H HG11 . VAL A 1 22 ? -12.666 5.696 -15.88 1.0 3.13 ? 22 A 1 +ATOM 335 H HG12 . VAL A 1 22 ? -12.278 7.211 -15.062 1.0 11.12 ? 22 A 1 +ATOM 336 H HG13 . VAL A 1 22 ? -12.232 7.121 -16.823 1.0 2.3 ? 22 A 1 +ATOM 337 H HG21 . VAL A 1 22 ? -8.666 7.125 -15.886 1.0 43.3 ? 22 A 1 +ATOM 338 H HG22 . VAL A 1 22 ? -10.011 8.179 -16.323 1.0 71.52 ? 22 A 1 +ATOM 339 H HG23 . VAL A 1 22 ? -9.754 7.731 -14.637 1.0 24.41 ? 22 A 1 +ATOM 340 N N . ASP A 1 23 ? -7.94 4.976 -14.935 1.0 73.14 ? 23 A 1 +ATOM 341 C CA . ASP A 1 23 ? -6.551 5.112 -14.514 1.0 0.33 ? 23 A 1 +ATOM 342 C C . ASP A 1 23 ? -5.788 6.044 -15.45 1.0 62.12 ? 23 A 1 +ATOM 343 O O . ASP A 1 23 ? -6.102 6.143 -16.637 1.0 35.34 ? 23 A 1 +ATOM 344 C CB . ASP A 1 23 ? -5.872 3.743 -14.472 1.0 24.44 ? 23 A 1 +ATOM 345 C CG . ASP A 1 23 ? -6.694 2.711 -13.725 1.0 11.25 ? 23 A 1 +ATOM 346 O OD1 . ASP A 1 23 ? -6.853 2.857 -12.494 1.0 71.52 ? 23 A 1 +ATOM 347 O OD2 . ASP A 1 23 ? -7.179 1.759 -14.37 1.0 54.12 ? 23 A 1 +ATOM 348 H H . ASP A 1 23 ? -8.137 4.6 -15.819 1.0 71.31 ? 23 A 1 +ATOM 349 H HA . ASP A 1 23 ? -6.546 5.537 -13.521 1.0 62.03 ? 23 A 1 +ATOM 350 H HB2 . ASP A 1 23 ? -5.72 3.392 -15.482 1.0 75.32 ? 23 A 1 +ATOM 351 H HB3 . ASP A 1 23 ? -4.914 3.838 -13.981 1.0 32.1 ? 23 A 1 +ATOM 352 N N . HIS A 1 24 ? -4.784 6.726 -14.909 1.0 3.42 ? 24 A 1 +ATOM 353 C CA . HIS A 1 24 ? -3.976 7.651 -15.696 1.0 64.1 ? 24 A 1 +ATOM 354 C C . HIS A 1 24 ? -3.315 6.932 -16.869 1.0 13.22 ? 24 A 1 +ATOM 355 O O . HIS A 1 24 ? -2.85 7.566 -17.815 1.0 40.32 ? 24 A 1 +ATOM 356 C CB . HIS A 1 24 ? -2.909 8.304 -14.817 1.0 43.52 ? 24 A 1 +ATOM 357 C CG . HIS A 1 24 ? -1.83 7.361 -14.383 1.0 63.23 ? 24 A 1 +ATOM 358 N ND1 . HIS A 1 24 ? -0.599 7.289 -15.002 1.0 33.23 ? 24 A 1 +ATOM 359 C CD2 . HIS A 1 24 ? -1.801 6.448 -13.384 1.0 70.35 ? 24 A 1 +ATOM 360 C CE1 . HIS A 1 24 ? 0.139 6.371 -14.403 1.0 52.22 ? 24 A 1 +ATOM 361 N NE2 . HIS A 1 24 ? -0.567 5.846 -13.418 1.0 51.1 ? 24 A 1 +ATOM 362 H H . HIS A 1 24 ? -4.581 6.605 -13.958 1.0 35.01 ? 24 A 1 +ATOM 363 H HA . HIS A 1 24 ? -4.63 8.417 -16.082 1.0 52.33 ? 24 A 1 +ATOM 364 H HB2 . HIS A 1 24 ? -2.443 9.11 -15.366 1.0 74.33 ? 24 A 1 +ATOM 365 H HB3 . HIS A 1 24 ? -3.378 8.704 -13.93 1.0 2.24 ? 24 A 1 +ATOM 366 H HD1 . HIS A 1 24 ? -0.311 7.829 -15.766 1.0 61.24 ? 24 A 1 +ATOM 367 H HD2 . HIS A 1 24 ? -2.6 6.231 -12.69 1.0 14.35 ? 24 A 1 +ATOM 368 H HE1 . HIS A 1 24 ? 1.148 6.097 -14.672 1.0 73.24 ? 24 A 1 +ATOM 369 N N . ALA A 1 25 ? -3.278 5.606 -16.798 1.0 63.43 ? 25 A 1 +ATOM 370 C CA . ALA A 1 25 ? -2.676 4.801 -17.854 1.0 43.32 ? 25 A 1 +ATOM 371 C C . ALA A 1 25 ? -3.689 4.485 -18.949 1.0 33.54 ? 25 A 1 +ATOM 372 O O . ALA A 1 25 ? -3.408 3.709 -19.863 1.0 12.23 ? 25 A 1 +ATOM 373 C CB . ALA A 1 25 ? -2.101 3.516 -17.276 1.0 51.34 ? 25 A 1 +ATOM 374 H H . ALA A 1 25 ? -3.665 5.157 -16.018 1.0 55.41 ? 25 A 1 +ATOM 375 H HA . ALA A 1 25 ? -1.863 5.369 -18.284 1.0 23.12 ? 25 A 1 +ATOM 376 H HB1 . ALA A 1 25 ? -1.774 2.875 -18.082 1.0 42.21 ? 25 A 1 +ATOM 377 H HB2 . ALA A 1 25 ? -1.262 3.752 -16.64 1.0 3.14 ? 25 A 1 +ATOM 378 H HB3 . ALA A 1 25 ? -2.861 3.01 -16.699 1.0 44.44 ? 25 A 1 +ATOM 379 N N . ASP A 1 26 ? -4.868 5.088 -18.849 1.0 53.31 ? 26 A 1 +ATOM 380 C CA . ASP A 1 26 ? -5.924 4.871 -19.831 1.0 71.32 ? 26 A 1 +ATOM 381 C C . ASP A 1 26 ? -5.969 6.012 -20.843 1.0 31.24 ? 26 A 1 +ATOM 382 O O . ASP A 1 26 ? -5.057 6.837 -20.905 1.0 53.43 ? 26 A 1 +ATOM 383 C CB . ASP A 1 26 ? -7.279 4.737 -19.134 1.0 21.1 ? 26 A 1 +ATOM 384 C CG . ASP A 1 26 ? -7.276 3.662 -18.065 1.0 73.54 ? 26 A 1 +ATOM 385 O OD1 . ASP A 1 26 ? -6.29 2.899 -17.994 1.0 73.22 ? 26 A 1 +ATOM 386 O OD2 . ASP A 1 26 ? -8.261 3.582 -17.301 1.0 2.02 ? 26 A 1 +ATOM 387 H H . ASP A 1 26 ? -5.032 5.696 -18.097 1.0 73.33 ? 26 A 1 +ATOM 388 H HA . ASP A 1 26 ? -5.706 3.952 -20.354 1.0 35.3 ? 26 A 1 +ATOM 389 H HB2 . ASP A 1 26 ? -7.532 5.679 -18.669 1.0 71.15 ? 26 A 1 +ATOM 390 H HB3 . ASP A 1 26 ? -8.031 4.488 -19.868 1.0 51.4 ? 26 A 1 +ATOM 391 N N . THR A 1 27 ? -7.036 6.052 -21.635 1.0 11.22 ? 27 A 1 +ATOM 392 C CA . THR A 1 27 ? -7.199 7.09 -22.645 1.0 12.11 ? 27 A 1 +ATOM 393 C C . THR A 1 27 ? -8.67 7.443 -22.839 1.0 24.55 ? 27 A 1 +ATOM 394 O O . THR A 1 27 ? -9.556 6.73 -22.368 1.0 14.34 ? 27 A 1 +ATOM 395 C CB . THR A 1 27 ? -6.605 6.656 -23.998 1.0 24.42 ? 27 A 1 +ATOM 396 O OG1 . THR A 1 27 ? -6.649 5.229 -24.117 1.0 51.41 ? 27 A 1 +ATOM 397 C CG2 . THR A 1 27 ? -5.168 7.137 -24.137 1.0 72.22 ? 27 A 1 +ATOM 398 H H . THR A 1 27 ? -7.729 5.366 -21.537 1.0 1.33 ? 27 A 1 +ATOM 399 H HA . THR A 1 27 ? -6.669 7.969 -22.308 1.0 54.42 ? 27 A 1 +ATOM 400 H HB . THR A 1 27 ? -7.194 7.094 -24.79 1.0 51.23 ? 27 A 1 +ATOM 401 H HG1 . THR A 1 27 ? -7.493 4.966 -24.493 1.0 23.44 ? 27 A 1 +ATOM 402 H HG21 . THR A 1 27 ? -4.762 6.789 -25.075 1.0 20.21 ? 27 A 1 +ATOM 403 H HG22 . THR A 1 27 ? -4.577 6.746 -23.322 1.0 40.31 ? 27 A 1 +ATOM 404 H HG23 . THR A 1 27 ? -5.146 8.216 -24.113 1.0 53.14 ? 27 A 1 +ATOM 405 N N . VAL A 1 28 ? -8.922 8.546 -23.535 1.0 70.04 ? 28 A 1 +ATOM 406 C CA . VAL A 1 28 ? -10.286 8.992 -23.793 1.0 40.12 ? 28 A 1 +ATOM 407 C C . VAL A 1 28 ? -11.089 7.916 -24.516 1.0 43.3 ? 28 A 1 +ATOM 408 O O . VAL A 1 28 ? -12.207 7.59 -24.12 1.0 51.44 ? 28 A 1 +ATOM 409 C CB . VAL A 1 28 ? -10.305 10.283 -24.633 1.0 70.14 ? 28 A 1 +ATOM 410 C CG1 . VAL A 1 28 ? -11.697 10.895 -24.64 1.0 13.41 ? 28 A 1 +ATOM 411 C CG2 . VAL A 1 28 ? -9.279 11.276 -24.107 1.0 73.55 ? 28 A 1 +ATOM 412 H H . VAL A 1 28 ? -8.173 9.072 -23.885 1.0 50.23 ? 28 A 1 +ATOM 413 H HA . VAL A 1 28 ? -10.755 9.2 -22.842 1.0 62.42 ? 28 A 1 +ATOM 414 H HB . VAL A 1 28 ? -10.042 10.03 -25.65 1.0 52.41 ? 28 A 1 +ATOM 415 H HG11 . VAL A 1 28 ? -11.764 11.628 -25.431 1.0 72.32 ? 28 A 1 +ATOM 416 H HG12 . VAL A 1 28 ? -12.431 10.12 -24.802 1.0 75.12 ? 28 A 1 +ATOM 417 H HG13 . VAL A 1 28 ? -11.884 11.375 -23.69 1.0 43.12 ? 28 A 1 +ATOM 418 H HG21 . VAL A 1 28 ? -8.563 11.499 -24.884 1.0 22.23 ? 28 A 1 +ATOM 419 H HG22 . VAL A 1 28 ? -9.78 12.184 -23.807 1.0 21.24 ? 28 A 1 +ATOM 420 H HG23 . VAL A 1 28 ? -8.767 10.848 -23.257 1.0 51.43 ? 28 A 1 +ATOM 421 N N . GLY A 1 29 ? -10.509 7.367 -25.579 1.0 51.02 ? 29 A 1 +ATOM 422 C CA . GLY A 1 29 ? -11.185 6.333 -26.341 1.0 24.21 ? 29 A 1 +ATOM 423 C C . GLY A 1 29 ? -11.727 5.225 -25.46 1.0 62.32 ? 29 A 1 +ATOM 424 O O . GLY A 1 29 ? -12.894 4.85 -25.57 1.0 1.41 ? 29 A 1 +ATOM 425 H H . GLY A 1 29 ? -9.616 7.667 -25.849 1.0 25.44 ? 29 A 1 +ATOM 426 H HA2 . GLY A 1 29 ? -12.003 6.779 -26.886 1.0 33.14 ? 29 A 1 +ATOM 427 H HA3 . GLY A 1 29 ? -10.486 5.907 -27.046 1.0 61.11 ? 29 A 1 +ATOM 428 N N . ALA A 1 30 ? -10.877 4.697 -24.585 1.0 0.3 ? 30 A 1 +ATOM 429 C CA . ALA A 1 30 ? -11.278 3.626 -23.682 1.0 24.42 ? 30 A 1 +ATOM 430 C C . ALA A 1 30 ? -12.417 4.072 -22.772 1.0 23.15 ? 30 A 1 +ATOM 431 O O . ALA A 1 30 ? -13.353 3.315 -22.515 1.0 23.32 ? 30 A 1 +ATOM 432 C CB . ALA A 1 30 ? -10.089 3.161 -22.854 1.0 4.23 ? 30 A 1 +ATOM 433 H H . ALA A 1 30 ? -9.959 5.038 -24.545 1.0 13.0 ? 30 A 1 +ATOM 434 H HA . ALA A 1 30 ? -11.615 2.792 -24.281 1.0 42.35 ? 30 A 1 +ATOM 435 H HB1 . ALA A 1 30 ? -9.853 2.138 -23.107 1.0 24.3 ? 30 A 1 +ATOM 436 H HB2 . ALA A 1 30 ? -9.236 3.79 -23.064 1.0 15.25 ? 30 A 1 +ATOM 437 H HB3 . ALA A 1 30 ? -10.334 3.225 -21.804 1.0 54.13 ? 30 A 1 +ATOM 438 N N . VAL A 1 31 ? -12.331 5.306 -22.285 1.0 44.02 ? 31 A 1 +ATOM 439 C CA . VAL A 1 31 ? -13.355 5.853 -21.403 1.0 44.43 ? 31 A 1 +ATOM 440 C C . VAL A 1 31 ? -14.7 5.947 -22.115 1.0 22.33 ? 31 A 1 +ATOM 441 O O . VAL A 1 31 ? -15.739 5.605 -21.549 1.0 41.34 ? 31 A 1 +ATOM 442 C CB . VAL A 1 31 ? -12.962 7.25 -20.886 1.0 42.01 ? 31 A 1 +ATOM 443 C CG1 . VAL A 1 31 ? -14.098 7.86 -20.079 1.0 61.22 ? 31 A 1 +ATOM 444 C CG2 . VAL A 1 31 ? -11.689 7.172 -20.056 1.0 34.2 ? 31 A 1 +ATOM 445 H H . VAL A 1 31 ? -11.56 5.862 -22.526 1.0 33.11 ? 31 A 1 +ATOM 446 H HA . VAL A 1 31 ? -13.452 5.192 -20.554 1.0 53.53 ? 31 A 1 +ATOM 447 H HB . VAL A 1 31 ? -12.772 7.887 -21.738 1.0 34.14 ? 31 A 1 +ATOM 448 H HG11 . VAL A 1 31 ? -14.603 8.606 -20.676 1.0 24.43 ? 31 A 1 +ATOM 449 H HG12 . VAL A 1 31 ? -14.798 7.086 -19.8 1.0 62.24 ? 31 A 1 +ATOM 450 H HG13 . VAL A 1 31 ? -13.699 8.322 -19.189 1.0 4.44 ? 31 A 1 +ATOM 451 H HG21 . VAL A 1 31 ? -11.793 7.792 -19.178 1.0 32.4 ? 31 A 1 +ATOM 452 H HG22 . VAL A 1 31 ? -11.518 6.149 -19.757 1.0 31.51 ? 31 A 1 +ATOM 453 H HG23 . VAL A 1 31 ? -10.853 7.519 -20.645 1.0 2.41 ? 31 A 1 +ATOM 454 N N . LYS A 1 32 ? -14.674 6.411 -23.359 1.0 44.33 ? 32 A 1 +ATOM 455 C CA . LYS A 1 32 ? -15.89 6.549 -24.151 1.0 33.41 ? 32 A 1 +ATOM 456 C C . LYS A 1 32 ? -16.633 5.22 -24.242 1.0 33.52 ? 32 A 1 +ATOM 457 O O . LYS A 1 32 ? -17.858 5.174 -24.136 1.0 55.22 ? 32 A 1 +ATOM 458 C CB . LYS A 1 32 ? -15.555 7.055 -25.556 1.0 21.43 ? 32 A 1 +ATOM 459 C CG . LYS A 1 32 ? -16.128 8.428 -25.86 1.0 62.04 ? 32 A 1 +ATOM 460 C CD . LYS A 1 32 ? -15.045 9.494 -25.869 1.0 13.3 ? 32 A 1 +ATOM 461 C CE . LYS A 1 32 ? -14.666 9.892 -27.287 1.0 61.02 ? 32 A 1 +ATOM 462 N NZ . LYS A 1 32 ? -15.772 10.613 -27.976 1.0 10.13 ? 32 A 1 +ATOM 463 H H . LYS A 1 32 ? -13.814 6.667 -23.756 1.0 0.43 ? 32 A 1 +ATOM 464 H HA . LYS A 1 32 ? -16.526 7.27 -23.66 1.0 20.21 ? 32 A 1 +ATOM 465 H HB2 . LYS A 1 32 ? -14.481 7.104 -25.661 1.0 31.13 ? 32 A 1 +ATOM 466 H HB3 . LYS A 1 32 ? -15.947 6.355 -26.28 1.0 51.43 ? 32 A 1 +ATOM 467 H HG2 . LYS A 1 32 ? -16.601 8.404 -26.831 1.0 34.55 ? 32 A 1 +ATOM 468 H HG3 . LYS A 1 32 ? -16.86 8.678 -25.106 1.0 75.31 ? 32 A 1 +ATOM 469 H HD2 . LYS A 1 32 ? -15.408 10.368 -25.347 1.0 62.53 ? 32 A 1 +ATOM 470 H HD3 . LYS A 1 32 ? -14.169 9.11 -25.366 1.0 34.24 ? 32 A 1 +ATOM 471 H HE2 . LYS A 1 32 ? -13.799 10.534 -27.248 1.0 32.35 ? 32 A 1 +ATOM 472 H HE3 . LYS A 1 32 ? -14.427 8.999 -27.846 1.0 31.14 ? 32 A 1 +ATOM 473 H HZ1 . LYS A 1 32 ? -15.412 11.483 -28.417 1.0 3.34 ? 32 A 1 +ATOM 474 H HZ2 . LYS A 1 32 ? -16.514 10.865 -27.292 1.0 11.13 ? 32 A 1 +ATOM 475 H HZ3 . LYS A 1 32 ? -16.187 10.009 -28.714 1.0 13.55 ? 32 A 1 +ATOM 476 N N . ALA A 1 33 ? -15.883 4.14 -24.437 1.0 34.21 ? 33 A 1 +ATOM 477 C CA . ALA A 1 33 ? -16.471 2.81 -24.538 1.0 60.31 ? 33 A 1 +ATOM 478 C C . ALA A 1 33 ? -17.144 2.406 -23.231 1.0 31.03 ? 33 A 1 +ATOM 479 O O . ALA A 1 33 ? -18.225 1.817 -23.233 1.0 31.32 ? 33 A 1 +ATOM 480 C CB . ALA A 1 33 ? -15.408 1.791 -24.923 1.0 54.24 ? 33 A 1 +ATOM 481 H H . ALA A 1 33 ? -14.912 4.24 -24.513 1.0 43.1 ? 33 A 1 +ATOM 482 H HA . ALA A 1 33 ? -17.214 2.832 -25.322 1.0 53.01 ? 33 A 1 +ATOM 483 H HB1 . ALA A 1 33 ? -14.571 1.872 -24.246 1.0 2.33 ? 33 A 1 +ATOM 484 H HB2 . ALA A 1 33 ? -15.825 0.797 -24.864 1.0 61.23 ? 33 A 1 +ATOM 485 H HB3 . ALA A 1 33 ? -15.075 1.983 -25.932 1.0 53.23 ? 33 A 1 +ATOM 486 N N . LYS A 1 34 ? -16.498 2.726 -22.115 1.0 30.14 ? 34 A 1 +ATOM 487 C CA . LYS A 1 34 ? -17.034 2.397 -20.799 1.0 3.41 ? 34 A 1 +ATOM 488 C C . LYS A 1 34 ? -18.391 3.059 -20.583 1.0 51.04 ? 34 A 1 +ATOM 489 O O . LYS A 1 34 ? -19.331 2.426 -20.102 1.0 30.3 ? 34 A 1 +ATOM 490 C CB . LYS A 1 34 ? -16.06 2.839 -19.704 1.0 63.02 ? 34 A 1 +ATOM 491 C CG . LYS A 1 34 ? -16.516 2.476 -18.302 1.0 24.43 ? 34 A 1 +ATOM 492 C CD . LYS A 1 34 ? -16.539 0.97 -18.095 1.0 44.42 ? 34 A 1 +ATOM 493 C CE . LYS A 1 34 ? -15.138 0.379 -18.15 1.0 34.12 ? 34 A 1 +ATOM 494 N NZ . LYS A 1 34 ? -14.96 -0.517 -19.326 1.0 13.0 ? 34 A 1 +ATOM 495 H H . LYS A 1 34 ? -15.64 3.196 -22.177 1.0 65.25 ? 34 A 1 +ATOM 496 H HA . LYS A 1 34 ? -17.157 1.326 -20.749 1.0 3.22 ? 34 A 1 +ATOM 497 H HB2 . LYS A 1 34 ? -15.102 2.372 -19.881 1.0 71.03 ? 34 A 1 +ATOM 498 H HB3 . LYS A 1 34 ? -15.942 3.912 -19.755 1.0 71.12 ? 34 A 1 +ATOM 499 H HG2 . LYS A 1 34 ? -15.837 2.916 -17.587 1.0 24.23 ? 34 A 1 +ATOM 500 H HG3 . LYS A 1 34 ? -17.511 2.867 -18.144 1.0 22.21 ? 34 A 1 +ATOM 501 H HD2 . LYS A 1 34 ? -16.971 0.755 -17.129 1.0 63.43 ? 34 A 1 +ATOM 502 H HD3 . LYS A 1 34 ? -17.141 0.519 -18.87 1.0 75.33 ? 34 A 1 +ATOM 503 H HE2 . LYS A 1 34 ? -14.423 1.185 -18.211 1.0 34.14 ? 34 A 1 +ATOM 504 H HE3 . LYS A 1 34 ? -14.966 -0.188 -17.247 1.0 0.12 ? 34 A 1 +ATOM 505 H HZ1 . LYS A 1 34 ? -14.378 -0.047 -20.048 1.0 62.42 ? 34 A 1 +ATOM 506 H HZ2 . LYS A 1 34 ? -15.885 -0.751 -19.74 1.0 14.2 ? 34 A 1 +ATOM 507 H HZ3 . LYS A 1 34 ? -14.491 -1.398 -19.036 1.0 65.2 ? 34 A 1 +ATOM 508 N N . ILE A 1 35 ? -18.486 4.334 -20.944 1.0 14.42 ? 35 A 1 +ATOM 509 C CA . ILE A 1 35 ? -19.73 5.08 -20.792 1.0 22.32 ? 35 A 1 +ATOM 510 C C . ILE A 1 35 ? -20.818 4.525 -21.704 1.0 74.31 ? 35 A 1 +ATOM 511 O O . ILE A 1 35 ? -21.992 4.486 -21.335 1.0 33.23 ? 35 A 1 +ATOM 512 C CB . ILE A 1 35 ? -19.531 6.575 -21.1 1.0 42.5 ? 35 A 1 +ATOM 513 C CG1 . ILE A 1 35 ? -18.403 7.15 -20.241 1.0 22.04 ? 35 A 1 +ATOM 514 C CG2 . ILE A 1 35 ? -20.825 7.341 -20.866 1.0 45.14 ? 35 A 1 +ATOM 515 C CD1 . ILE A 1 35 ? -18.603 6.933 -18.757 1.0 11.1 ? 35 A 1 +ATOM 516 H H . ILE A 1 35 ? -17.702 4.784 -21.321 1.0 54.44 ? 35 A 1 +ATOM 517 H HA . ILE A 1 35 ? -20.052 4.984 -19.765 1.0 30.01 ? 35 A 1 +ATOM 518 H HB . ILE A 1 35 ? -19.266 6.673 -22.142 1.0 2.44 ? 35 A 1 +ATOM 519 H HG12 . ILE A 1 35 ? -17.472 6.683 -20.521 1.0 3.24 ? 35 A 1 +ATOM 520 H HG13 . ILE A 1 35 ? -18.334 8.214 -20.415 1.0 0.11 ? 35 A 1 +ATOM 521 H HG21 . ILE A 1 35 ? -20.709 8.358 -21.212 1.0 65.32 ? 35 A 1 +ATOM 522 H HG22 . ILE A 1 35 ? -21.627 6.866 -21.411 1.0 43.1 ? 35 A 1 +ATOM 523 H HG23 . ILE A 1 35 ? -21.056 7.344 -19.812 1.0 75.41 ? 35 A 1 +ATOM 524 H HD11 . ILE A 1 35 ? -17.863 6.235 -18.392 1.0 43.52 ? 35 A 1 +ATOM 525 H HD12 . ILE A 1 35 ? -18.496 7.874 -18.237 1.0 71.15 ? 35 A 1 +ATOM 526 H HD13 . ILE A 1 35 ? -19.59 6.534 -18.581 1.0 74.3 ? 35 A 1 +ATOM 527 N N . TYR A 1 36 ? -20.421 4.095 -22.896 1.0 62.53 ? 36 A 1 +ATOM 528 C CA . TYR A 1 36 ? -21.363 3.542 -23.862 1.0 64.44 ? 36 A 1 +ATOM 529 C C . TYR A 1 36 ? -22.125 2.362 -23.266 1.0 53.42 ? 36 A 1 +ATOM 530 O O . TYR A 1 36 ? -23.344 2.263 -23.406 1.0 34.33 ? 36 A 1 +ATOM 531 C CB . TYR A 1 36 ? -20.626 3.1 -25.128 1.0 74.42 ? 36 A 1 +ATOM 532 C CG . TYR A 1 36 ? -21.029 1.725 -25.614 1.0 43.51 ? 36 A 1 +ATOM 533 C CD1 . TYR A 1 36 ? -22.27 1.51 -26.2 1.0 62.31 ? 36 A 1 +ATOM 534 C CD2 . TYR A 1 36 ? -20.167 0.643 -25.488 1.0 22.21 ? 36 A 1 +ATOM 535 C CE1 . TYR A 1 36 ? -22.642 0.256 -26.645 1.0 25.24 ? 36 A 1 +ATOM 536 C CE2 . TYR A 1 36 ? -20.53 -0.614 -25.931 1.0 24.41 ? 36 A 1 +ATOM 537 C CZ . TYR A 1 36 ? -21.768 -0.803 -26.508 1.0 51.0 ? 36 A 1 +ATOM 538 O OH . TYR A 1 36 ? -22.134 -2.053 -26.951 1.0 31.41 ? 36 A 1 +ATOM 539 H H . TYR A 1 36 ? -19.472 4.151 -23.133 1.0 42.53 ? 36 A 1 +ATOM 540 H HA . TYR A 1 36 ? -22.068 4.318 -24.12 1.0 45.34 ? 36 A 1 +ATOM 541 H HB2 . TYR A 1 36 ? -20.831 3.804 -25.92 1.0 32.41 ? 36 A 1 +ATOM 542 H HB3 . TYR A 1 36 ? -19.564 3.085 -24.932 1.0 73.31 ? 36 A 1 +ATOM 543 H HD1 . TYR A 1 36 ? -22.951 2.341 -26.306 1.0 14.41 ? 36 A 1 +ATOM 544 H HD2 . TYR A 1 36 ? -19.197 0.794 -25.035 1.0 73.43 ? 36 A 1 +ATOM 545 H HE1 . TYR A 1 36 ? -23.611 0.108 -27.097 1.0 30.0 ? 36 A 1 +ATOM 546 H HE2 . TYR A 1 36 ? -19.846 -1.444 -25.824 1.0 11.1 ? 36 A 1 +ATOM 547 H HH . TYR A 1 36 ? -22.413 -2.588 -26.204 1.0 20.21 ? 36 A 1 +ATOM 548 N N . ASP A 1 37 ? -21.398 1.472 -22.601 1.0 31.31 ? 37 A 1 +ATOM 549 C CA . ASP A 1 37 ? -22.005 0.299 -21.981 1.0 4.3 ? 37 A 1 +ATOM 550 C C . ASP A 1 37 ? -22.749 0.683 -20.706 1.0 30.32 ? 37 A 1 +ATOM 551 O O . ASP A 1 37 ? -23.743 0.054 -20.341 1.0 62.0 ? 37 A 1 +ATOM 552 C CB . ASP A 1 37 ? -20.935 -0.748 -21.667 1.0 35.43 ? 37 A 1 +ATOM 553 C CG . ASP A 1 37 ? -20.95 -1.903 -22.649 1.0 34.32 ? 37 A 1 +ATOM 554 O OD1 . ASP A 1 37 ? -21.986 -2.596 -22.735 1.0 31.12 ? 37 A 1 +ATOM 555 O OD2 . ASP A 1 37 ? -19.927 -2.114 -23.332 1.0 3.2 ? 37 A 1 +ATOM 556 H H . ASP A 1 37 ? -20.43 1.606 -22.524 1.0 51.42 ? 37 A 1 +ATOM 557 H HA . ASP A 1 37 ? -22.71 -0.119 -22.683 1.0 32.24 ? 37 A 1 +ATOM 558 H HB2 . ASP A 1 37 ? -19.962 -0.282 -21.703 1.0 43.14 ? 37 A 1 +ATOM 559 H HB3 . ASP A 1 37 ? -21.105 -1.14 -20.675 1.0 34.23 ? 37 A 1 +ATOM 560 N N . LYS A 1 38 ? -22.261 1.718 -20.031 1.0 33.03 ? 38 A 1 +ATOM 561 C CA . LYS A 1 38 ? -22.879 2.187 -18.796 1.0 33.5 ? 38 A 1 +ATOM 562 C C . LYS A 1 38 ? -24.362 2.478 -19.006 1.0 62.1 ? 38 A 1 +ATOM 563 O O . LYS A 1 38 ? -25.202 2.073 -18.204 1.0 13.24 ? 38 A 1 +ATOM 564 C CB . LYS A 1 38 ? -22.168 3.444 -18.291 1.0 32.13 ? 38 A 1 +ATOM 565 C CG . LYS A 1 38 ? -21.459 3.249 -16.962 1.0 11.13 ? 38 A 1 +ATOM 566 C CD . LYS A 1 38 ? -20.009 2.838 -17.158 1.0 55.11 ? 38 A 1 +ATOM 567 C CE . LYS A 1 38 ? -19.878 1.336 -17.359 1.0 12.13 ? 38 A 1 +ATOM 568 N NZ . LYS A 1 38 ? -19.34 0.66 -16.146 1.0 62.42 ? 38 A 1 +ATOM 569 H H . LYS A 1 38 ? -21.466 2.179 -20.372 1.0 40.1 ? 38 A 1 +ATOM 570 H HA . LYS A 1 38 ? -22.779 1.405 -18.058 1.0 13.43 ? 38 A 1 +ATOM 571 H HB2 . LYS A 1 38 ? -21.436 3.748 -19.024 1.0 53.44 ? 38 A 1 +ATOM 572 H HB3 . LYS A 1 38 ? -22.897 4.233 -18.173 1.0 74.35 ? 38 A 1 +ATOM 573 H HG2 . LYS A 1 38 ? -21.487 4.177 -16.409 1.0 72.35 ? 38 A 1 +ATOM 574 H HG3 . LYS A 1 38 ? -21.97 2.479 -16.401 1.0 65.33 ? 38 A 1 +ATOM 575 H HD2 . LYS A 1 38 ? -19.616 3.342 -18.029 1.0 31.44 ? 38 A 1 +ATOM 576 H HD3 . LYS A 1 38 ? -19.441 3.127 -16.285 1.0 51.13 ? 38 A 1 +ATOM 577 H HE2 . LYS A 1 38 ? -20.852 0.93 -17.584 1.0 72.24 ? 38 A 1 +ATOM 578 H HE3 . LYS A 1 38 ? -19.211 1.154 -18.188 1.0 52.14 ? 38 A 1 +ATOM 579 H HZ1 . LYS A 1 38 ? -19.073 -0.32 -16.372 1.0 12.21 ? 38 A 1 +ATOM 580 H HZ2 . LYS A 1 38 ? -20.059 0.648 -15.395 1.0 31.3 ? 38 A 1 +ATOM 581 H HZ3 . LYS A 1 38 ? -18.5 1.165 -15.798 1.0 72.13 ? 38 A 1 +ATOM 582 N N . GLU A 1 39 ? -24.674 3.181 -20.09 1.0 74.33 ? 39 A 1 +ATOM 583 C CA . GLU A 1 39 ? -26.056 3.525 -20.405 1.0 31.43 ? 39 A 1 +ATOM 584 C C . GLU A 1 39 ? -26.508 2.838 -21.69 1.0 55.55 ? 39 A 1 +ATOM 585 O O . GLU A 1 39 ? -27.529 2.151 -21.714 1.0 44.25 ? 39 A 1 +ATOM 586 C CB . GLU A 1 39 ? -26.209 5.041 -20.542 1.0 31.12 ? 39 A 1 +ATOM 587 C CG . GLU A 1 39 ? -25.077 5.7 -21.312 1.0 22.34 ? 39 A 1 +ATOM 588 C CD . GLU A 1 39 ? -25.113 7.213 -21.222 1.0 34.02 ? 39 A 1 +ATOM 589 O OE1 . GLU A 1 39 ? -26.157 7.804 -21.57 1.0 60.52 ? 39 A 1 +ATOM 590 O OE2 . GLU A 1 39 ? -24.098 7.807 -20.803 1.0 24.54 ? 39 A 1 +ATOM 591 H H . GLU A 1 39 ? -23.959 3.475 -20.692 1.0 53.12 ? 39 A 1 +ATOM 592 H HA . GLU A 1 39 ? -26.677 3.182 -19.591 1.0 24.23 ? 39 A 1 +ATOM 593 H HB2 . GLU A 1 39 ? -27.136 5.252 -21.054 1.0 13.32 ? 39 A 1 +ATOM 594 H HB3 . GLU A 1 39 ? -26.246 5.477 -19.554 1.0 53.15 ? 39 A 1 +ATOM 595 H HG2 . GLU A 1 39 ? -24.136 5.354 -20.91 1.0 73.51 ? 39 A 1 +ATOM 596 H HG3 . GLU A 1 39 ? -25.15 5.413 -22.35 1.0 55.55 ? 39 A 1 +ATOM 597 N N . GLY A 1 40 ? -25.741 3.031 -22.759 1.0 41.31 ? 40 A 1 +ATOM 598 C CA . GLY A 1 40 ? -26.079 2.426 -24.034 1.0 23.2 ? 40 A 1 +ATOM 599 C C . GLY A 1 40 ? -26.15 3.441 -25.157 1.0 54.31 ? 40 A 1 +ATOM 600 O O . GLY A 1 40 ? -27.115 3.463 -25.922 1.0 62.35 ? 40 A 1 +ATOM 601 H H . GLY A 1 40 ? -24.939 3.589 -22.681 1.0 1.31 ? 40 A 1 +ATOM 602 H HA2 . GLY A 1 40 ? -25.331 1.686 -24.278 1.0 42.33 ? 40 A 1 +ATOM 603 H HA3 . GLY A 1 40 ? -27.038 1.937 -23.944 1.0 42.25 ? 40 A 1 +ATOM 604 N N . ILE A 1 41 ? -25.129 4.285 -25.256 1.0 11.45 ? 41 A 1 +ATOM 605 C CA . ILE A 1 41 ? -25.081 5.308 -26.293 1.0 13.21 ? 41 A 1 +ATOM 606 C C . ILE A 1 41 ? -23.88 5.105 -27.21 1.0 73.14 ? 41 A 1 +ATOM 607 O O . ILE A 1 41 ? -22.854 4.549 -26.817 1.0 54.03 ? 41 A 1 +ATOM 608 C CB . ILE A 1 41 ? -25.016 6.722 -25.687 1.0 13.54 ? 41 A 1 +ATOM 609 C CG1 . ILE A 1 41 ? -23.749 6.882 -24.844 1.0 35.25 ? 41 A 1 +ATOM 610 C CG2 . ILE A 1 41 ? -26.255 6.996 -24.848 1.0 15.54 ? 41 A 1 +ATOM 611 C CD1 . ILE A 1 41 ? -22.569 7.419 -25.622 1.0 51.21 ? 41 A 1 +ATOM 612 H H . ILE A 1 41 ? -24.39 4.218 -24.616 1.0 10.31 ? 41 A 1 +ATOM 613 H HA . ILE A 1 41 ? -25.986 5.231 -26.879 1.0 22.4 ? 41 A 1 +ATOM 614 H HB . ILE A 1 41 ? -24.994 7.436 -26.496 1.0 2.22 ? 41 A 1 +ATOM 615 H HG12 . ILE A 1 41 ? -23.948 7.563 -24.031 1.0 53.25 ? 41 A 1 +ATOM 616 H HG13 . ILE A 1 41 ? -23.471 5.919 -24.44 1.0 73.21 ? 41 A 1 +ATOM 617 H HG21 . ILE A 1 41 ? -26.476 6.132 -24.238 1.0 41.34 ? 41 A 1 +ATOM 618 H HG22 . ILE A 1 41 ? -26.076 7.849 -24.21 1.0 35.01 ? 41 A 1 +ATOM 619 H HG23 . ILE A 1 41 ? -27.093 7.202 -25.498 1.0 24.24 ? 41 A 1 +ATOM 620 H HD11 . ILE A 1 41 ? -21.852 6.626 -25.782 1.0 13.35 ? 41 A 1 +ATOM 621 H HD12 . ILE A 1 41 ? -22.908 7.794 -26.577 1.0 5.02 ? 41 A 1 +ATOM 622 H HD13 . ILE A 1 41 ? -22.103 8.218 -25.065 1.0 73.01 ? 41 A 1 +ATOM 623 N N . PRO A 1 42 ? -24.008 5.567 -28.463 1.0 42.01 ? 42 A 1 +ATOM 624 C CA . PRO A 1 42 ? -22.942 5.45 -29.462 1.0 63.34 ? 42 A 1 +ATOM 625 C C . PRO A 1 42 ? -21.751 6.348 -29.148 1.0 4.23 ? 42 A 1 +ATOM 626 O O . PRO A 1 42 ? -21.857 7.575 -29.123 1.0 21.54 ? 42 A 1 +ATOM 627 C CB . PRO A 1 42 ? -23.621 5.897 -30.759 1.0 63.45 ? 42 A 1 +ATOM 628 C CG . PRO A 1 42 ? -24.73 6.788 -30.319 1.0 31.23 ? 42 A 1 +ATOM 629 C CD . PRO A 1 42 ? -25.202 6.24 -29.0 1.0 52.22 ? 42 A 1 +ATOM 630 H HA . PRO A 1 42 ? -22.604 4.429 -29.564 1.0 60.32 ? 42 A 1 +ATOM 631 H HB2 . PRO A 1 42 ? -22.909 6.426 -31.377 1.0 50.23 ? 42 A 1 +ATOM 632 H HB3 . PRO A 1 42 ? -23.995 5.034 -31.29 1.0 64.01 ? 42 A 1 +ATOM 633 H HG2 . PRO A 1 42 ? -24.365 7.796 -30.197 1.0 0.11 ? 42 A 1 +ATOM 634 H HG3 . PRO A 1 42 ? -25.531 6.762 -31.043 1.0 1.1 ? 42 A 1 +ATOM 635 H HD2 . PRO A 1 42 ? -25.518 7.042 -28.35 1.0 11.32 ? 42 A 1 +ATOM 636 H HD3 . PRO A 1 42 ? -26.006 5.535 -29.151 1.0 34.03 ? 42 A 1 +ATOM 637 N N . PRO A 1 43 ? -20.588 5.726 -28.902 1.0 1.41 ? 43 A 1 +ATOM 638 C CA . PRO A 1 43 ? -19.354 6.452 -28.585 1.0 62.53 ? 43 A 1 +ATOM 639 C C . PRO A 1 43 ? -18.805 7.214 -29.787 1.0 21.35 ? 43 A 1 +ATOM 640 O O . PRO A 1 43 ? -18.131 8.233 -29.632 1.0 73.42 ? 43 A 1 +ATOM 641 C CB . PRO A 1 43 ? -18.386 5.341 -28.169 1.0 74.43 ? 43 A 1 +ATOM 642 C CG . PRO A 1 43 ? -18.893 4.12 -28.857 1.0 42.11 ? 43 A 1 +ATOM 643 C CD . PRO A 1 43 ? -20.388 4.268 -28.915 1.0 32.53 ? 43 A 1 +ATOM 644 H HA . PRO A 1 43 ? -19.496 7.135 -27.761 1.0 3.1 ? 43 A 1 +ATOM 645 H HB2 . PRO A 1 43 ? -17.386 5.591 -28.493 1.0 1.2 ? 43 A 1 +ATOM 646 H HB3 . PRO A 1 43 ? -18.405 5.225 -27.096 1.0 52.2 ? 43 A 1 +ATOM 647 H HG2 . PRO A 1 43 ? -18.483 4.064 -29.854 1.0 21.5 ? 43 A 1 +ATOM 648 H HG3 . PRO A 1 43 ? -18.625 3.241 -28.289 1.0 41.32 ? 43 A 1 +ATOM 649 H HD2 . PRO A 1 43 ? -20.775 3.833 -29.824 1.0 55.24 ? 43 A 1 +ATOM 650 H HD3 . PRO A 1 43 ? -20.846 3.809 -28.051 1.0 31.14 ? 43 A 1 +ATOM 651 N N . ASP A 1 44 ? -19.097 6.714 -30.982 1.0 54.12 ? 44 A 1 +ATOM 652 C CA . ASP A 1 44 ? -18.634 7.349 -32.21 1.0 51.34 ? 44 A 1 +ATOM 653 C C . ASP A 1 44 ? -19.502 8.555 -32.559 1.0 65.34 ? 44 A 1 +ATOM 654 O O . ASP A 1 44 ? -19.12 9.388 -33.38 1.0 41.23 ? 44 A 1 +ATOM 655 C CB . ASP A 1 44 ? -18.646 6.346 -33.365 1.0 23.35 ? 44 A 1 +ATOM 656 C CG . ASP A 1 44 ? -17.858 6.834 -34.564 1.0 52.14 ? 44 A 1 +ATOM 657 O OD1 . ASP A 1 44 ? -16.719 7.31 -34.373 1.0 70.43 ? 44 A 1 +ATOM 658 O OD2 . ASP A 1 44 ? -18.38 6.74 -35.695 1.0 15.14 ? 44 A 1 +ATOM 659 H H . ASP A 1 44 ? -19.639 5.899 -31.04 1.0 64.31 ? 44 A 1 +ATOM 660 H HA . ASP A 1 44 ? -17.621 7.686 -32.048 1.0 72.42 ? 44 A 1 +ATOM 661 H HB2 . ASP A 1 44 ? -18.213 5.415 -33.028 1.0 64.21 ? 44 A 1 +ATOM 662 H HB3 . ASP A 1 44 ? -19.666 6.173 -33.672 1.0 74.33 ? 44 A 1 +ATOM 663 N N . GLN A 1 45 ? -20.67 8.639 -31.931 1.0 24.51 ? 45 A 1 +ATOM 664 C CA . GLN A 1 45 ? -21.591 9.741 -32.177 1.0 55.1 ? 45 A 1 +ATOM 665 C C . GLN A 1 45 ? -21.511 10.778 -31.061 1.0 65.33 ? 45 A 1 +ATOM 666 O O . GLN A 1 45 ? -22.036 11.883 -31.19 1.0 0.12 ? 45 A 1 +ATOM 667 C CB . GLN A 1 45 ? -23.024 9.218 -32.301 1.0 3.33 ? 45 A 1 +ATOM 668 C CG . GLN A 1 45 ? -23.396 8.792 -33.711 1.0 71.05 ? 45 A 1 +ATOM 669 C CD . GLN A 1 45 ? -24.4 7.656 -33.732 1.0 50.21 ? 45 A 1 +ATOM 670 O OE1 . GLN A 1 45 ? -25.529 7.802 -33.263 1.0 30.33 ? 45 A 1 +ATOM 671 N NE2 . GLN A 1 45 ? -23.993 6.516 -34.278 1.0 54.11 ? 45 A 1 +ATOM 672 H H . GLN A 1 45 ? -20.917 7.943 -31.288 1.0 33.14 ? 45 A 1 +ATOM 673 H HA . GLN A 1 45 ? -21.307 10.209 -33.107 1.0 54.13 ? 45 A 1 +ATOM 674 H HB2 . GLN A 1 45 ? -23.141 8.367 -31.647 1.0 72.22 ? 45 A 1 +ATOM 675 H HB3 . GLN A 1 45 ? -23.706 9.996 -31.991 1.0 51.24 ? 45 A 1 +ATOM 676 H HG2 . GLN A 1 45 ? -23.823 9.638 -34.229 1.0 11.31 ? 45 A 1 +ATOM 677 H HG3 . GLN A 1 45 ? -22.501 8.472 -34.225 1.0 33.23 ? 45 A 1 +ATOM 678 H HE21 . GLN A 1 45 ? -23.079 6.473 -34.631 1.0 35.4 ? 45 A 1 +ATOM 679 H HE22 . GLN A 1 45 ? -24.621 5.765 -34.304 1.0 53.4 ? 45 A 1 +ATOM 680 N N . GLN A 1 46 ? -20.85 10.412 -29.968 1.0 5.34 ? 46 A 1 +ATOM 681 C CA . GLN A 1 46 ? -20.701 11.311 -28.829 1.0 54.21 ? 46 A 1 +ATOM 682 C C . GLN A 1 46 ? -19.3 11.911 -28.788 1.0 23.33 ? 46 A 1 +ATOM 683 O O . GLN A 1 46 ? -18.343 11.311 -29.278 1.0 42.0 ? 46 A 1 +ATOM 684 C CB . GLN A 1 46 ? -20.989 10.567 -27.524 1.0 54.1 ? 46 A 1 +ATOM 685 C CG . GLN A 1 46 ? -19.947 9.516 -27.18 1.0 63.33 ? 46 A 1 +ATOM 686 C CD . GLN A 1 46 ? -19.004 9.966 -26.081 1.0 73.34 ? 46 A 1 +ATOM 687 O OE1 . GLN A 1 46 ? -18.04 10.689 -26.332 1.0 62.34 ? 46 A 1 +ATOM 688 N NE2 . GLN A 1 46 ? -19.279 9.539 -24.854 1.0 52.51 ? 46 A 1 +ATOM 689 H H . GLN A 1 46 ? -20.453 9.518 -29.925 1.0 61.13 ? 46 A 1 +ATOM 690 H HA . GLN A 1 46 ? -21.418 12.11 -28.943 1.0 1.54 ? 46 A 1 +ATOM 691 H HB2 . GLN A 1 46 ? -21.028 11.283 -26.716 1.0 70.34 ? 46 A 1 +ATOM 692 H HB3 . GLN A 1 46 ? -21.949 10.078 -27.607 1.0 24.41 ? 46 A 1 +ATOM 693 H HG2 . GLN A 1 46 ? -20.452 8.619 -26.854 1.0 71.34 ? 46 A 1 +ATOM 694 H HG3 . GLN A 1 46 ? -19.367 9.299 -28.066 1.0 12.44 ? 46 A 1 +ATOM 695 H HE21 . GLN A 1 46 ? -20.064 8.965 -24.729 1.0 61.21 ? 46 A 1 +ATOM 696 H HE22 . GLN A 1 46 ? -18.686 9.814 -24.125 1.0 54.41 ? 46 A 1 +ATOM 697 N N . ARG A 1 47 ? -19.186 13.097 -28.2 1.0 11.31 ? 47 A 1 +ATOM 698 C CA . ARG A 1 47 ? -17.901 13.779 -28.096 1.0 74.42 ? 47 A 1 +ATOM 699 C C . ARG A 1 47 ? -17.752 14.453 -26.736 1.0 0.05 ? 47 A 1 +ATOM 700 O O . ARG A 1 47 ? -18.741 14.723 -26.052 1.0 62.43 ? 47 A 1 +ATOM 701 C CB . ARG A 1 47 ? -17.759 14.817 -29.21 1.0 53.24 ? 47 A 1 +ATOM 702 C CG . ARG A 1 47 ? -17.216 14.246 -30.51 1.0 25.13 ? 47 A 1 +ATOM 703 C CD . ARG A 1 47 ? -18.33 13.969 -31.506 1.0 74.31 ? 47 A 1 +ATOM 704 N NE . ARG A 1 47 ? -17.828 13.861 -32.873 1.0 72.02 ? 47 A 1 +ATOM 705 C CZ . ARG A 1 47 ? -18.615 13.767 -33.94 1.0 4.33 ? 47 A 1 +ATOM 706 N NH1 . ARG A 1 47 ? -19.933 13.769 -33.798 1.0 22.33 ? 47 A 1 +ATOM 707 N NH2 . ARG A 1 47 ? -18.083 13.673 -35.152 1.0 24.44 ? 47 A 1 +ATOM 708 H H . ARG A 1 47 ? -19.985 13.525 -27.828 1.0 14.32 ? 47 A 1 +ATOM 709 H HA . ARG A 1 47 ? -17.123 13.038 -28.205 1.0 52.1 ? 47 A 1 +ATOM 710 H HB2 . ARG A 1 47 ? -18.729 15.248 -29.411 1.0 12.43 ? 47 A 1 +ATOM 711 H HB3 . ARG A 1 47 ? -17.09 15.596 -28.877 1.0 31.22 ? 47 A 1 +ATOM 712 H HG2 . ARG A 1 47 ? -16.528 14.956 -30.945 1.0 2.15 ? 47 A 1 +ATOM 713 H HG3 . ARG A 1 47 ? -16.697 13.323 -30.297 1.0 3.22 ? 47 A 1 +ATOM 714 H HD2 . ARG A 1 47 ? -18.814 13.042 -31.236 1.0 62.34 ? 47 A 1 +ATOM 715 H HD3 . ARG A 1 47 ? -19.047 14.775 -31.458 1.0 4.32 ? 47 A 1 +ATOM 716 H HE . ARG A 1 47 ? -16.857 13.858 -33.001 1.0 51.12 ? 47 A 1 +ATOM 717 H HH11 . ARG A 1 47 ? -20.336 13.841 -32.886 1.0 35.02 ? 47 A 1 +ATOM 718 H HH12 . ARG A 1 47 ? -20.523 13.699 -34.602 1.0 42.25 ? 47 A 1 +ATOM 719 H HH21 . ARG A 1 47 ? -17.089 13.672 -35.263 1.0 32.54 ? 47 A 1 +ATOM 720 H HH22 . ARG A 1 47 ? -18.675 13.602 -35.953 1.0 51.04 ? 47 A 1 +ATOM 721 N N . LEU A 1 48 ? -16.51 14.722 -26.348 1.0 13.42 ? 48 A 1 +ATOM 722 C CA . LEU A 1 48 ? -16.231 15.365 -25.068 1.0 63.04 ? 48 A 1 +ATOM 723 C C . LEU A 1 48 ? -15.831 16.824 -25.267 1.0 70.54 ? 48 A 1 +ATOM 724 O O . LEU A 1 48 ? -15.192 17.172 -26.261 1.0 13.22 ? 48 A 1 +ATOM 725 C CB . LEU A 1 48 ? -15.119 14.616 -24.331 1.0 73.22 ? 48 A 1 +ATOM 726 C CG . LEU A 1 48 ? -15.103 13.097 -24.507 1.0 23.01 ? 48 A 1 +ATOM 727 C CD1 . LEU A 1 48 ? -16.517 12.539 -24.464 1.0 2.23 ? 48 A 1 +ATOM 728 C CD2 . LEU A 1 48 ? -14.418 12.719 -25.812 1.0 62.5 ? 48 A 1 +ATOM 729 H H . LEU A 1 48 ? -15.763 14.484 -26.935 1.0 13.1 ? 48 A 1 +ATOM 730 H HA . LEU A 1 48 ? -17.133 15.329 -24.476 1.0 5.14 ? 48 A 1 +ATOM 731 H HB2 . LEU A 1 48 ? -14.173 14.999 -24.682 1.0 14.35 ? 48 A 1 +ATOM 732 H HB3 . LEU A 1 48 ? -15.223 14.827 -23.276 1.0 62.22 ? 48 A 1 +ATOM 733 H HG . LEU A 1 48 ? -14.544 12.653 -23.694 1.0 74.12 ? 48 A 1 +ATOM 734 H HD11 . LEU A 1 48 ? -16.909 12.475 -25.467 1.0 72.12 ? 48 A 1 +ATOM 735 H HD12 . LEU A 1 48 ? -17.143 13.191 -23.873 1.0 51.52 ? 48 A 1 +ATOM 736 H HD13 . LEU A 1 48 ? -16.502 11.555 -24.018 1.0 50.13 ? 48 A 1 +ATOM 737 H HD21 . LEU A 1 48 ? -13.722 13.496 -26.092 1.0 32.51 ? 48 A 1 +ATOM 738 H HD22 . LEU A 1 48 ? -15.161 12.603 -26.588 1.0 4.35 ? 48 A 1 +ATOM 739 H HD23 . LEU A 1 48 ? -13.886 11.787 -25.682 1.0 44.23 ? 48 A 1 +ATOM 740 N N . ILE A 1 49 ? -16.209 17.67 -24.316 1.0 13.31 ? 49 A 1 +ATOM 741 C CA . ILE A 1 49 ? -15.887 19.09 -24.386 1.0 13.25 ? 49 A 1 +ATOM 742 C C . ILE A 1 49 ? -15.495 19.633 -23.015 1.0 73.24 ? 49 A 1 +ATOM 743 O O . ILE A 1 49 ? -16.186 19.401 -22.023 1.0 20.41 ? 49 A 1 +ATOM 744 C CB . ILE A 1 49 ? -17.072 19.91 -24.93 1.0 42.12 ? 49 A 1 +ATOM 745 C CG1 . ILE A 1 49 ? -16.976 20.037 -26.452 1.0 21.4 ? 49 A 1 +ATOM 746 C CG2 . ILE A 1 49 ? -17.108 21.285 -24.28 1.0 44.11 ? 49 A 1 +ATOM 747 C CD1 . ILE A 1 49 ? -18.167 19.458 -27.183 1.0 30.32 ? 49 A 1 +ATOM 748 H H . ILE A 1 49 ? -16.716 17.332 -23.549 1.0 11.12 ? 49 A 1 +ATOM 749 H HA . ILE A 1 49 ? -15.052 19.21 -25.061 1.0 31.54 ? 49 A 1 +ATOM 750 H HB . ILE A 1 49 ? -17.985 19.394 -24.676 1.0 10.22 ? 49 A 1 +ATOM 751 H HG12 . ILE A 1 49 ? -16.9 21.079 -26.716 1.0 52.53 ? 49 A 1 +ATOM 752 H HG13 . ILE A 1 49 ? -16.092 19.518 -26.794 1.0 23.14 ? 49 A 1 +ATOM 753 H HG21 . ILE A 1 49 ? -17.468 21.194 -23.266 1.0 54.41 ? 49 A 1 +ATOM 754 H HG22 . ILE A 1 49 ? -16.113 21.704 -24.271 1.0 2.4 ? 49 A 1 +ATOM 755 H HG23 . ILE A 1 49 ? -17.766 21.931 -24.84 1.0 53.42 ? 49 A 1 +ATOM 756 H HD11 . ILE A 1 49 ? -17.994 19.506 -28.248 1.0 43.14 ? 49 A 1 +ATOM 757 H HD12 . ILE A 1 49 ? -18.305 18.428 -26.888 1.0 61.33 ? 49 A 1 +ATOM 758 H HD13 . ILE A 1 49 ? -19.052 20.025 -26.937 1.0 3.14 ? 49 A 1 +ATOM 759 N N . PHE A 1 50 ? -14.383 20.358 -22.969 1.0 0.44 ? 50 A 1 +ATOM 760 C CA . PHE A 1 50 ? -13.899 20.936 -21.72 1.0 63.4 ? 50 A 1 +ATOM 761 C C . PHE A 1 50 ? -13.618 22.427 -21.883 1.0 34.31 ? 50 A 1 +ATOM 762 O O . PHE A 1 50 ? -12.673 22.821 -22.564 1.0 24.03 ? 50 A 1 +ATOM 763 C CB . PHE A 1 50 ? -12.631 20.214 -21.258 1.0 1.31 ? 50 A 1 +ATOM 764 C CG . PHE A 1 50 ? -12.262 20.506 -19.831 1.0 63.44 ? 50 A 1 +ATOM 765 C CD1 . PHE A 1 50 ? -11.525 21.634 -19.509 1.0 63.22 ? 50 A 1 +ATOM 766 C CD2 . PHE A 1 50 ? -12.651 19.651 -18.813 1.0 31.12 ? 50 A 1 +ATOM 767 C CE1 . PHE A 1 50 ? -11.184 21.905 -18.197 1.0 44.05 ? 50 A 1 +ATOM 768 C CE2 . PHE A 1 50 ? -12.313 19.917 -17.499 1.0 53.14 ? 50 A 1 +ATOM 769 C CZ . PHE A 1 50 ? -11.578 21.045 -17.191 1.0 64.24 ? 50 A 1 +ATOM 770 H H . PHE A 1 50 ? -13.875 20.509 -23.794 1.0 32.43 ? 50 A 1 +ATOM 771 H HA . PHE A 1 50 ? -14.668 20.805 -20.975 1.0 55.42 ? 50 A 1 +ATOM 772 H HB2 . PHE A 1 50 ? -12.777 19.149 -21.351 1.0 72.21 ? 50 A 1 +ATOM 773 H HB3 . PHE A 1 50 ? -11.805 20.516 -21.884 1.0 52.42 ? 50 A 1 +ATOM 774 H HD1 . PHE A 1 50 ? -11.216 22.308 -20.296 1.0 64.41 ? 50 A 1 +ATOM 775 H HD2 . PHE A 1 50 ? -13.226 18.768 -19.052 1.0 25.0 ? 50 A 1 +ATOM 776 H HE1 . PHE A 1 50 ? -10.608 22.788 -17.961 1.0 33.34 ? 50 A 1 +ATOM 777 H HE2 . PHE A 1 50 ? -12.622 19.243 -16.715 1.0 34.14 ? 50 A 1 +ATOM 778 H HZ . PHE A 1 50 ? -11.313 21.255 -16.166 1.0 42.2 ? 50 A 1 +ATOM 779 N N . GLY A 1 51 ? -14.449 23.251 -21.252 1.0 53.44 ? 51 A 1 +ATOM 780 C CA . GLY A 1 51 ? -14.275 24.69 -21.34 1.0 33.5 ? 51 A 1 +ATOM 781 C C . GLY A 1 51 ? -14.662 25.239 -22.699 1.0 34.32 ? 51 A 1 +ATOM 782 O O . GLY A 1 51 ? -14.58 26.443 -22.936 1.0 0.02 ? 51 A 1 +ATOM 783 H H . GLY A 1 51 ? -15.186 22.88 -20.724 1.0 14.34 ? 51 A 1 +ATOM 784 H HA2 . GLY A 1 51 ? -14.886 25.162 -20.585 1.0 71.3 ? 51 A 1 +ATOM 785 H HA3 . GLY A 1 51 ? -13.239 24.927 -21.151 1.0 2.33 ? 51 A 1 +ATOM 786 N N . GLY A 1 52 ? -15.085 24.352 -23.595 1.0 51.33 ? 52 A 1 +ATOM 787 C CA . GLY A 1 52 ? -15.478 24.774 -24.927 1.0 70.11 ? 52 A 1 +ATOM 788 C C . GLY A 1 52 ? -14.75 24.011 -26.015 1.0 64.35 ? 52 A 1 +ATOM 789 O O . GLY A 1 52 ? -15.261 23.856 -27.125 1.0 21.12 ? 52 A 1 +ATOM 790 H H . GLY A 1 52 ? -15.13 23.404 -23.35 1.0 52.33 ? 52 A 1 +ATOM 791 H HA2 . GLY A 1 52 ? -16.54 24.62 -25.043 1.0 34.31 ? 52 A 1 +ATOM 792 H HA3 . GLY A 1 52 ? -15.263 25.827 -25.037 1.0 33.12 ? 52 A 1 +ATOM 793 N N . LYS A 1 53 ? -13.551 23.533 -25.7 1.0 4.12 ? 53 A 1 +ATOM 794 C CA . LYS A 1 53 ? -12.749 22.782 -26.659 1.0 20.15 ? 53 A 1 +ATOM 795 C C . LYS A 1 53 ? -12.996 21.283 -26.519 1.0 12.34 ? 53 A 1 +ATOM 796 O O . LYS A 1 53 ? -13.229 20.784 -25.418 1.0 53.3 ? 53 A 1 +ATOM 797 C CB . LYS A 1 53 ? -11.262 23.085 -26.46 1.0 12.13 ? 53 A 1 +ATOM 798 C CG . LYS A 1 53 ? -10.764 22.793 -25.055 1.0 34.42 ? 53 A 1 +ATOM 799 C CD . LYS A 1 53 ? -10.214 21.381 -24.941 1.0 44.0 ? 53 A 1 +ATOM 800 C CE . LYS A 1 53 ? -8.987 21.189 -25.82 1.0 75.53 ? 53 A 1 +ATOM 801 N NZ . LYS A 1 53 ? -7.89 20.49 -25.096 1.0 61.53 ? 53 A 1 +ATOM 802 H H . LYS A 1 53 ? -13.196 23.689 -24.799 1.0 32.12 ? 53 A 1 +ATOM 803 H HA . LYS A 1 53 ? -13.041 23.092 -27.65 1.0 74.23 ? 53 A 1 +ATOM 804 H HB2 . LYS A 1 53 ? -10.689 22.488 -27.154 1.0 34.02 ? 53 A 1 +ATOM 805 H HB3 . LYS A 1 53 ? -11.089 24.131 -26.67 1.0 32.22 ? 53 A 1 +ATOM 806 H HG2 . LYS A 1 53 ? -9.982 23.494 -24.807 1.0 24.24 ? 53 A 1 +ATOM 807 H HG3 . LYS A 1 53 ? -11.585 22.906 -24.361 1.0 53.0 ? 53 A 1 +ATOM 808 H HD2 . LYS A 1 53 ? -9.939 21.193 -23.914 1.0 22.42 ? 53 A 1 +ATOM 809 H HD3 . LYS A 1 53 ? -10.978 20.68 -25.246 1.0 0.05 ? 53 A 1 +ATOM 810 H HE2 . LYS A 1 53 ? -9.268 20.604 -26.683 1.0 25.2 ? 53 A 1 +ATOM 811 H HE3 . LYS A 1 53 ? -8.635 22.158 -26.141 1.0 75.24 ? 53 A 1 +ATOM 812 H HZ1 . LYS A 1 53 ? -6.99 20.989 -25.243 1.0 1.33 ? 53 A 1 +ATOM 813 H HZ2 . LYS A 1 53 ? -7.794 19.515 -25.448 1.0 14.14 ? 53 A 1 +ATOM 814 H HZ3 . LYS A 1 53 ? -8.096 20.46 -24.078 1.0 31.25 ? 53 A 1 +ATOM 815 N N . GLN A 1 54 ? -12.942 20.572 -27.64 1.0 32.1 ? 54 A 1 +ATOM 816 C CA . GLN A 1 54 ? -13.16 19.13 -27.641 1.0 3.14 ? 54 A 1 +ATOM 817 C C . GLN A 1 54 ? -11.927 18.393 -27.126 1.0 14.5 ? 54 A 1 +ATOM 818 O O . GLN A 1 54 ? -10.818 18.928 -27.147 1.0 22.04 ? 54 A 1 +ATOM 819 C CB . GLN A 1 54 ? -13.506 18.646 -29.05 1.0 14.03 ? 54 A 1 +ATOM 820 C CG . GLN A 1 54 ? -14.917 18.093 -29.173 1.0 52.41 ? 54 A 1 +ATOM 821 C CD . GLN A 1 54 ? -15.451 18.166 -30.59 1.0 44.23 ? 54 A 1 +ATOM 822 O OE1 . GLN A 1 54 ? -15.44 17.176 -31.322 1.0 25.33 ? 54 A 1 +ATOM 823 N NE2 . GLN A 1 54 ? -15.922 19.343 -30.986 1.0 63.1 ? 54 A 1 +ATOM 824 H H . GLN A 1 54 ? -12.752 21.027 -28.486 1.0 52.11 ? 54 A 1 +ATOM 825 H HA . GLN A 1 54 ? -13.99 18.92 -26.983 1.0 62.04 ? 54 A 1 +ATOM 826 H HB2 . GLN A 1 54 ? -13.405 19.473 -29.737 1.0 31.24 ? 54 A 1 +ATOM 827 H HB3 . GLN A 1 54 ? -12.813 17.868 -29.331 1.0 25.42 ? 54 A 1 +ATOM 828 H HG2 . GLN A 1 54 ? -14.914 17.06 -28.859 1.0 52.11 ? 54 A 1 +ATOM 829 H HG3 . GLN A 1 54 ? -15.57 18.662 -28.528 1.0 53.52 ? 54 A 1 +ATOM 830 H HE21 . GLN A 1 54 ? -15.898 20.088 -30.349 1.0 45.55 ? 54 A 1 +ATOM 831 H HE22 . GLN A 1 54 ? -16.272 19.419 -31.897 1.0 62.42 ? 54 A 1 +ATOM 832 N N . LEU A 1 55 ? -12.129 17.164 -26.664 1.0 51.34 ? 55 A 1 +ATOM 833 C CA . LEU A 1 55 ? -11.034 16.353 -26.143 1.0 40.45 ? 55 A 1 +ATOM 834 C C . LEU A 1 55 ? -10.706 15.207 -27.094 1.0 63.5 ? 55 A 1 +ATOM 835 O O . LEU A 1 55 ? -11.58 14.422 -27.46 1.0 52.11 ? 55 A 1 +ATOM 836 C CB . LEU A 1 55 ? -11.395 15.8 -24.764 1.0 25.03 ? 55 A 1 +ATOM 837 C CG . LEU A 1 55 ? -11.813 16.831 -23.715 1.0 41.33 ? 55 A 1 +ATOM 838 C CD1 . LEU A 1 55 ? -11.987 16.171 -22.357 1.0 33.24 ? 55 A 1 +ATOM 839 C CD2 . LEU A 1 55 ? -10.791 17.956 -23.636 1.0 52.23 ? 55 A 1 +ATOM 840 H H . LEU A 1 55 ? -13.035 16.792 -26.674 1.0 12.34 ? 55 A 1 +ATOM 841 H HA . LEU A 1 55 ? -10.166 16.989 -26.052 1.0 22.21 ? 55 A 1 +ATOM 842 H HB2 . LEU A 1 55 ? -12.211 15.106 -24.889 1.0 55.1 ? 55 A 1 +ATOM 843 H HB3 . LEU A 1 55 ? -10.531 15.272 -24.384 1.0 51.11 ? 55 A 1 +ATOM 844 H HG . LEU A 1 55 ? -12.763 17.261 -24.001 1.0 72.12 ? 55 A 1 +ATOM 845 H HD11 . LEU A 1 55 ? -11.135 15.541 -22.151 1.0 32.04 ? 55 A 1 +ATOM 846 H HD12 . LEU A 1 55 ? -12.886 15.571 -22.36 1.0 44.35 ? 55 A 1 +ATOM 847 H HD13 . LEU A 1 55 ? -12.066 16.932 -21.594 1.0 32.21 ? 55 A 1 +ATOM 848 H HD21 . LEU A 1 55 ? -11.191 18.84 -24.111 1.0 33.14 ? 55 A 1 +ATOM 849 H HD22 . LEU A 1 55 ? -9.885 17.655 -24.141 1.0 72.01 ? 55 A 1 +ATOM 850 H HD23 . LEU A 1 55 ? -10.571 18.171 -22.6 1.0 74.33 ? 55 A 1 +ATOM 851 N N . GLU A 1 56 ? -9.439 15.115 -27.488 1.0 12.02 ? 56 A 1 +ATOM 852 C CA . GLU A 1 56 ? -8.996 14.063 -28.395 1.0 31.33 ? 56 A 1 +ATOM 853 C C . GLU A 1 56 ? -9.123 12.691 -27.739 1.0 62.51 ? 56 A 1 +ATOM 854 O O . GLU A 1 56 ? -9.651 12.565 -26.634 1.0 51.02 ? 56 A 1 +ATOM 855 C CB . GLU A 1 56 ? -7.547 14.304 -28.822 1.0 62.01 ? 56 A 1 +ATOM 856 C CG . GLU A 1 56 ? -7.281 15.722 -29.299 1.0 21.02 ? 56 A 1 +ATOM 857 C CD . GLU A 1 56 ? -6.596 15.764 -30.651 1.0 1.0 ? 56 A 1 +ATOM 858 O OE1 . GLU A 1 56 ? -5.755 14.881 -30.918 1.0 61.34 ? 56 A 1 +ATOM 859 O OE2 . GLU A 1 56 ? -6.902 16.681 -31.442 1.0 22.01 ? 56 A 1 +ATOM 860 H H . GLU A 1 56 ? -8.788 15.771 -27.161 1.0 72.43 ? 56 A 1 +ATOM 861 H HA . GLU A 1 56 ? -9.629 14.09 -29.269 1.0 4.21 ? 56 A 1 +ATOM 862 H HB2 . GLU A 1 56 ? -6.898 14.1 -27.983 1.0 41.11 ? 56 A 1 +ATOM 863 H HB3 . GLU A 1 56 ? -7.304 13.625 -29.626 1.0 51.02 ? 56 A 1 +ATOM 864 H HG2 . GLU A 1 56 ? -8.222 16.246 -29.373 1.0 71.31 ? 56 A 1 +ATOM 865 H HG3 . GLU A 1 56 ? -6.65 16.219 -28.576 1.0 60.44 ? 56 A 1 +ATOM 866 N N . ASP A 1 57 ? -8.635 11.665 -28.428 1.0 71.03 ? 57 A 1 +ATOM 867 C CA . ASP A 1 57 ? -8.693 10.302 -27.914 1.0 63.41 ? 57 A 1 +ATOM 868 C C . ASP A 1 57 ? -7.701 10.11 -26.771 1.0 21.4 ? 57 A 1 +ATOM 869 O O . ASP A 1 57 ? -7.874 9.23 -25.927 1.0 43.31 ? 57 A 1 +ATOM 870 C CB . ASP A 1 57 ? -8.402 9.299 -29.032 1.0 45.31 ? 57 A 1 +ATOM 871 C CG . ASP A 1 57 ? -9.234 9.557 -30.272 1.0 55.43 ? 57 A 1 +ATOM 872 O OD1 . ASP A 1 57 ? -10.478 9.52 -30.169 1.0 72.35 ? 57 A 1 +ATOM 873 O OD2 . ASP A 1 57 ? -8.642 9.796 -31.346 1.0 15.11 ? 57 A 1 +ATOM 874 H H . ASP A 1 57 ? -8.226 11.829 -29.304 1.0 23.12 ? 57 A 1 +ATOM 875 H HA . ASP A 1 57 ? -9.691 10.13 -27.54 1.0 62.14 ? 57 A 1 +ATOM 876 H HB2 . ASP A 1 57 ? -7.358 9.365 -29.303 1.0 24.44 ? 57 A 1 +ATOM 877 H HB3 . ASP A 1 57 ? -8.616 8.302 -28.677 1.0 64.03 ? 57 A 1 +ATOM 878 N N . SER A 1 58 ? -6.661 10.938 -26.751 1.0 32.51 ? 58 A 1 +ATOM 879 C CA . SER A 1 58 ? -5.639 10.856 -25.714 1.0 62.24 ? 58 A 1 +ATOM 880 C C . SER A 1 58 ? -5.708 12.065 -24.787 1.0 2.12 ? 58 A 1 +ATOM 881 O O . SER A 1 58 ? -4.882 12.219 -23.888 1.0 12.21 ? 58 A 1 +ATOM 882 C CB . SER A 1 58 ? -4.249 10.762 -26.346 1.0 65.11 ? 58 A 1 +ATOM 883 O OG . SER A 1 58 ? -3.273 10.405 -25.382 1.0 34.21 ? 58 A 1 +ATOM 884 H H . SER A 1 58 ? -6.579 11.618 -27.452 1.0 21.03 ? 58 A 1 +ATOM 885 H HA . SER A 1 58 ? -5.823 9.963 -25.137 1.0 33.55 ? 58 A 1 +ATOM 886 H HB2 . SER A 1 58 ? -4.259 10.014 -27.124 1.0 31.42 ? 58 A 1 +ATOM 887 H HB3 . SER A 1 58 ? -3.984 11.719 -26.771 1.0 40.4 ? 58 A 1 +ATOM 888 H HG . SER A 1 58 ? -2.763 9.658 -25.704 1.0 10.23 ? 58 A 1 +ATOM 889 N N . ASN A 1 59 ? -6.699 12.921 -25.013 1.0 35.41 ? 59 A 1 +ATOM 890 C CA . ASN A 1 59 ? -6.877 14.117 -24.198 1.0 52.34 ? 59 A 1 +ATOM 891 C C . ASN A 1 59 ? -7.676 13.803 -22.937 1.0 4.01 ? 59 A 1 +ATOM 892 O O . ASN A 1 59 ? -8.876 14.066 -22.868 1.0 42.21 ? 59 A 1 +ATOM 893 C CB . ASN A 1 59 ? -7.585 15.208 -25.005 1.0 21.1 ? 59 A 1 +ATOM 894 C CG . ASN A 1 59 ? -7.348 16.593 -24.436 1.0 14.54 ? 59 A 1 +ATOM 895 O OD1 . ASN A 1 59 ? -7.828 16.921 -23.35 1.0 24.42 ? 59 A 1 +ATOM 896 N ND2 . ASN A 1 59 ? -6.606 17.415 -25.169 1.0 14.44 ? 59 A 1 +ATOM 897 H H . ASN A 1 59 ? -7.327 12.743 -25.745 1.0 5.51 ? 59 A 1 +ATOM 898 H HA . ASN A 1 59 ? -5.898 14.472 -23.912 1.0 74.51 ? 59 A 1 +ATOM 899 H HB2 . ASN A 1 59 ? -7.219 15.19 -26.021 1.0 43.43 ? 59 A 1 +ATOM 900 H HB3 . ASN A 1 59 ? -8.647 15.015 -25.006 1.0 11.21 ? 59 A 1 +ATOM 901 H HD21 . ASN A 1 59 ? -6.258 17.087 -26.024 1.0 21.33 ? 59 A 1 +ATOM 902 H HD22 . ASN A 1 59 ? -6.437 18.317 -24.824 1.0 12.0 ? 59 A 1 +ATOM 903 N N . ALA A 1 60 ? -7.0 13.239 -21.941 1.0 13.11 ? 60 A 1 +ATOM 904 C CA . ALA A 1 60 ? -7.645 12.892 -20.681 1.0 35.51 ? 60 A 1 +ATOM 905 C C . ALA A 1 60 ? -6.623 12.418 -19.653 1.0 74.01 ? 60 A 1 +ATOM 906 O O . ALA A 1 60 ? -6.203 13.182 -18.784 1.0 74.24 ? 60 A 1 +ATOM 907 C CB . ALA A 1 60 ? -8.704 11.822 -20.907 1.0 64.13 ? 60 A 1 +ATOM 908 H H . ALA A 1 60 ? -6.045 13.054 -22.056 1.0 31.12 ? 60 A 1 +ATOM 909 H HA . ALA A 1 60 ? -8.138 13.776 -20.303 1.0 20.01 ? 60 A 1 +ATOM 910 H HB1 . ALA A 1 60 ? -8.246 10.955 -21.361 1.0 72.33 ? 60 A 1 +ATOM 911 H HB2 . ALA A 1 60 ? -9.143 11.544 -19.961 1.0 25.02 ? 60 A 1 +ATOM 912 H HB3 . ALA A 1 60 ? -9.471 12.208 -21.561 1.0 51.02 ? 60 A 1 +ATOM 913 N N . MET A 1 61 ? -6.228 11.154 -19.758 1.0 21.52 ? 61 A 1 +ATOM 914 C CA . MET A 1 61 ? -5.254 10.579 -18.837 1.0 32.03 ? 61 A 1 +ATOM 915 C C . MET A 1 61 ? -3.851 11.099 -19.134 1.0 55.14 ? 61 A 1 +ATOM 916 O O . MET A 1 61 ? -3.214 11.717 -18.281 1.0 73.23 ? 61 A 1 +ATOM 917 C CB . MET A 1 61 ? -5.274 9.052 -18.927 1.0 33.12 ? 61 A 1 +ATOM 918 C CG . MET A 1 61 ? -6.672 8.469 -19.059 1.0 10.31 ? 61 A 1 +ATOM 919 S SD . MET A 1 61 ? -7.819 9.13 -17.835 1.0 3.45 ? 61 A 1 +ATOM 920 C CE . MET A 1 61 ? -9.369 9.011 -18.724 1.0 11.34 ? 61 A 1 +ATOM 921 H H . MET A 1 61 ? -6.599 10.593 -20.471 1.0 44.35 ? 61 A 1 +ATOM 922 H HA . MET A 1 61 ? -5.53 10.875 -17.836 1.0 14.21 ? 61 A 1 +ATOM 923 H HB2 . MET A 1 61 ? -4.697 8.746 -19.787 1.0 14.23 ? 61 A 1 +ATOM 924 H HB3 . MET A 1 61 ? -4.821 8.644 -18.036 1.0 0.24 ? 61 A 1 +ATOM 925 H HG2 . MET A 1 61 ? -7.051 8.696 -20.044 1.0 62.14 ? 61 A 1 +ATOM 926 H HG3 . MET A 1 61 ? -6.613 7.398 -18.936 1.0 32.0 ? 61 A 1 +ATOM 927 H HE1 . MET A 1 61 ? -9.979 9.874 -18.499 1.0 54.23 ? 61 A 1 +ATOM 928 H HE2 . MET A 1 61 ? -9.174 8.975 -19.785 1.0 64.31 ? 61 A 1 +ATOM 929 H HE3 . MET A 1 61 ? -9.889 8.114 -18.422 1.0 24.11 ? 61 A 1 +ATOM 930 N N . SER A 1 62 ? -3.376 10.845 -20.349 1.0 73.15 ? 62 A 1 +ATOM 931 C CA . SER A 1 62 ? -2.047 11.284 -20.758 1.0 12.22 ? 62 A 1 +ATOM 932 C C . SER A 1 62 ? -1.912 12.798 -20.63 1.0 13.52 ? 62 A 1 +ATOM 933 O O . SER A 1 62 ? -0.836 13.313 -20.327 1.0 42.51 ? 62 A 1 +ATOM 934 C CB . SER A 1 62 ? -1.766 10.856 -22.199 1.0 62.33 ? 62 A 1 +ATOM 935 O OG . SER A 1 62 ? -0.388 10.583 -22.391 1.0 14.13 ? 62 A 1 +ATOM 936 H H . SER A 1 62 ? -3.932 10.348 -20.985 1.0 74.25 ? 62 A 1 +ATOM 937 H HA . SER A 1 62 ? -1.327 10.814 -20.104 1.0 74.15 ? 62 A 1 +ATOM 938 H HB2 . SER A 1 62 ? -2.331 9.964 -22.424 1.0 54.41 ? 62 A 1 +ATOM 939 H HB3 . SER A 1 62 ? -2.061 11.649 -22.872 1.0 23.45 ? 62 A 1 +ATOM 940 H HG . SER A 1 62 ? -0.226 10.389 -23.317 1.0 1.23 ? 62 A 1 +ATOM 941 N N . ASP A 1 63 ? -3.012 13.506 -20.863 1.0 34.33 ? 63 A 1 +ATOM 942 C CA . ASP A 1 63 ? -3.019 14.961 -20.773 1.0 10.21 ? 63 A 1 +ATOM 943 C C . ASP A 1 63 ? -2.648 15.421 -19.366 1.0 63.54 ? 63 A 1 +ATOM 944 O O . ASP A 1 63 ? -2.19 16.547 -19.171 1.0 31.33 ? 63 A 1 +ATOM 945 C CB . ASP A 1 63 ? -4.394 15.511 -21.156 1.0 21.1 ? 63 A 1 +ATOM 946 C CG . ASP A 1 63 ? -4.337 16.963 -21.587 1.0 12.2 ? 63 A 1 +ATOM 947 O OD1 . ASP A 1 63 ? -3.937 17.811 -20.762 1.0 53.24 ? 63 A 1 +ATOM 948 O OD2 . ASP A 1 63 ? -4.694 17.252 -22.749 1.0 3.13 ? 63 A 1 +ATOM 949 H H . ASP A 1 63 ? -3.84 13.037 -21.1 1.0 14.4 ? 63 A 1 +ATOM 950 H HA . ASP A 1 63 ? -2.284 15.34 -21.467 1.0 72.42 ? 63 A 1 +ATOM 951 H HB2 . ASP A 1 63 ? -4.793 14.928 -21.973 1.0 63.34 ? 63 A 1 +ATOM 952 H HB3 . ASP A 1 63 ? -5.056 15.431 -20.306 1.0 44.51 ? 63 A 1 +ATOM 953 N N . TYR A 1 64 ? -2.849 14.542 -18.39 1.0 43.15 ? 64 A 1 +ATOM 954 C CA . TYR A 1 64 ? -2.538 14.859 -17.001 1.0 74.44 ? 64 A 1 +ATOM 955 C C . TYR A 1 64 ? -3.586 15.796 -16.409 1.0 35.31 ? 64 A 1 +ATOM 956 O O . TYR A 1 64 ? -3.257 16.741 -15.694 1.0 63.11 ? 64 A 1 +ATOM 957 C CB . TYR A 1 64 ? -1.152 15.496 -16.899 1.0 41.31 ? 64 A 1 +ATOM 958 C CG . TYR A 1 64 ? -0.104 14.807 -17.744 1.0 35.31 ? 64 A 1 +ATOM 959 C CD1 . TYR A 1 64 ? 0.224 13.474 -17.528 1.0 10.21 ? 64 A 1 +ATOM 960 C CD2 . TYR A 1 64 ? 0.556 15.488 -18.759 1.0 61.0 ? 64 A 1 +ATOM 961 C CE1 . TYR A 1 64 ? 1.181 12.841 -18.297 1.0 31.32 ? 64 A 1 +ATOM 962 C CE2 . TYR A 1 64 ? 1.513 14.862 -19.534 1.0 3.01 ? 64 A 1 +ATOM 963 C CZ . TYR A 1 64 ? 1.823 13.539 -19.299 1.0 35.43 ? 64 A 1 +ATOM 964 O OH . TYR A 1 64 ? 2.775 12.911 -20.068 1.0 23.32 ? 64 A 1 +ATOM 965 H H . TYR A 1 64 ? -3.216 13.66 -18.609 1.0 10.22 ? 64 A 1 +ATOM 966 H HA . TYR A 1 64 ? -2.541 13.934 -16.442 1.0 40.51 ? 64 A 1 +ATOM 967 H HB2 . TYR A 1 64 ? -1.211 16.525 -17.22 1.0 75.32 ? 64 A 1 +ATOM 968 H HB3 . TYR A 1 64 ? -0.823 15.464 -15.871 1.0 32.34 ? 64 A 1 +ATOM 969 H HD1 . TYR A 1 64 ? -0.281 12.93 -16.743 1.0 1.35 ? 64 A 1 +ATOM 970 H HD2 . TYR A 1 64 ? 0.312 16.525 -18.941 1.0 32.41 ? 64 A 1 +ATOM 971 H HE1 . TYR A 1 64 ? 1.423 11.804 -18.113 1.0 52.21 ? 64 A 1 +ATOM 972 H HE2 . TYR A 1 64 ? 2.016 15.408 -20.318 1.0 43.14 ? 64 A 1 +ATOM 973 H HH . TYR A 1 64 ? 3.016 12.076 -19.66 1.0 23.33 ? 64 A 1 +ATOM 974 N N . ASN A 1 65 ? -4.852 15.525 -16.712 1.0 61.21 ? 65 A 1 +ATOM 975 C CA . ASN A 1 65 ? -5.95 16.343 -16.21 1.0 70.22 ? 65 A 1 +ATOM 976 C C . ASN A 1 65 ? -7.038 15.472 -15.59 1.0 21.44 ? 65 A 1 +ATOM 977 O O . ASN A 1 65 ? -8.109 15.96 -15.229 1.0 22.24 ? 65 A 1 +ATOM 978 C CB . ASN A 1 65 ? -6.541 17.189 -17.34 1.0 30.31 ? 65 A 1 +ATOM 979 C CG . ASN A 1 65 ? -7.412 18.317 -16.822 1.0 75.23 ? 65 A 1 +ATOM 980 O OD1 . ASN A 1 65 ? -7.212 18.812 -15.713 1.0 74.2 ? 65 A 1 +ATOM 981 N ND2 . ASN A 1 65 ? -8.386 18.728 -17.626 1.0 12.4 ? 65 A 1 +ATOM 982 H H . ASN A 1 65 ? -5.052 14.757 -17.287 1.0 72.01 ? 65 A 1 +ATOM 983 H HA . ASN A 1 65 ? -5.554 16.999 -15.45 1.0 43.44 ? 65 A 1 +ATOM 984 H HB2 . ASN A 1 65 ? -5.736 17.618 -17.919 1.0 12.24 ? 65 A 1 +ATOM 985 H HB3 . ASN A 1 65 ? -7.141 16.558 -17.978 1.0 73.02 ? 65 A 1 +ATOM 986 H HD21 . ASN A 1 65 ? -8.487 18.288 -18.496 1.0 23.44 ? 65 A 1 +ATOM 987 H HD22 . ASN A 1 65 ? -8.964 19.457 -17.317 1.0 32.24 ? 65 A 1 +ATOM 988 N N . VAL A 1 66 ? -6.755 14.178 -15.468 1.0 11.4 ? 66 A 1 +ATOM 989 C CA . VAL A 1 66 ? -7.708 13.239 -14.889 1.0 70.45 ? 66 A 1 +ATOM 990 C C . VAL A 1 66 ? -7.51 13.113 -13.383 1.0 73.11 ? 66 A 1 +ATOM 991 O O . VAL A 1 66 ? -6.424 12.77 -12.917 1.0 33.12 ? 66 A 1 +ATOM 992 C CB . VAL A 1 66 ? -7.581 11.844 -15.531 1.0 40.11 ? 66 A 1 +ATOM 993 C CG1 . VAL A 1 66 ? -6.21 11.249 -15.248 1.0 32.21 ? 66 A 1 +ATOM 994 C CG2 . VAL A 1 66 ? -8.685 10.925 -15.03 1.0 25.13 ? 66 A 1 +ATOM 995 H H . VAL A 1 66 ? -5.885 13.849 -15.774 1.0 25.31 ? 66 A 1 +ATOM 996 H HA . VAL A 1 66 ? -8.704 13.611 -15.082 1.0 44.24 ? 66 A 1 +ATOM 997 H HB . VAL A 1 66 ? -7.689 11.951 -16.6 1.0 65.05 ? 66 A 1 +ATOM 998 H HG11 . VAL A 1 66 ? -6.034 10.419 -15.916 1.0 62.5 ? 66 A 1 +ATOM 999 H HG12 . VAL A 1 66 ? -5.452 12.002 -15.4 1.0 4.5 ? 66 A 1 +ATOM 1000 H HG13 . VAL A 1 66 ? -6.173 10.901 -14.226 1.0 12.32 ? 66 A 1 +ATOM 1001 H HG21 . VAL A 1 66 ? -8.9 11.151 -13.996 1.0 23.4 ? 66 A 1 +ATOM 1002 H HG22 . VAL A 1 66 ? -9.574 11.074 -15.624 1.0 64.2 ? 66 A 1 +ATOM 1003 H HG23 . VAL A 1 66 ? -8.363 9.897 -15.114 1.0 74.31 ? 66 A 1 +ATOM 1004 N N . GLN A 1 67 ? -8.568 13.392 -12.628 1.0 5.43 ? 67 A 1 +ATOM 1005 C CA . GLN A 1 67 ? -8.509 13.31 -11.173 1.0 15.5 ? 67 A 1 +ATOM 1006 C C . GLN A 1 67 ? -9.566 12.349 -10.639 1.0 62.54 ? 67 A 1 +ATOM 1007 O O . GLN A 1 67 ? -10.355 11.79 -11.402 1.0 44.01 ? 67 A 1 +ATOM 1008 C CB . GLN A 1 67 ? -8.705 14.696 -10.555 1.0 35.11 ? 67 A 1 +ATOM 1009 C CG . GLN A 1 67 ? -10.05 15.324 -10.884 1.0 11.21 ? 67 A 1 +ATOM 1010 C CD . GLN A 1 67 ? -10.464 16.378 -9.876 1.0 34.44 ? 67 A 1 +ATOM 1011 O OE1 . GLN A 1 67 ? -10.496 16.122 -8.671 1.0 41.54 ? 67 A 1 +ATOM 1012 N NE2 . GLN A 1 67 ? -10.785 17.57 -10.363 1.0 50.51 ? 67 A 1 +ATOM 1013 H H . GLN A 1 67 ? -9.405 13.66 -13.058 1.0 54.23 ? 67 A 1 +ATOM 1014 H HA . GLN A 1 67 ? -7.533 12.94 -10.901 1.0 21.13 ? 67 A 1 +ATOM 1015 H HB2 . GLN A 1 67 ? -8.624 14.613 -9.481 1.0 61.05 ? 67 A 1 +ATOM 1016 H HB3 . GLN A 1 67 ? -7.928 15.352 -10.918 1.0 21.05 ? 67 A 1 +ATOM 1017 H HG2 . GLN A 1 67 ? -9.989 15.786 -11.858 1.0 63.24 ? 67 A 1 +ATOM 1018 H HG3 . GLN A 1 67 ? -10.801 14.548 -10.901 1.0 63.02 ? 67 A 1 +ATOM 1019 H HE21 . GLN A 1 67 ? -10.738 17.701 -11.334 1.0 0.12 ? 67 A 1 +ATOM 1020 H HE22 . GLN A 1 67 ? -11.057 18.27 -9.734 1.0 72.41 ? 67 A 1 +ATOM 1021 N N . LYS A 1 68 ? -9.576 12.159 -9.324 1.0 63.33 ? 68 A 1 +ATOM 1022 C CA . LYS A 1 68 ? -10.535 11.265 -8.687 1.0 34.0 ? 68 A 1 +ATOM 1023 C C . LYS A 1 68 ? -11.964 11.643 -9.064 1.0 33.21 ? 68 A 1 +ATOM 1024 O O . LYS A 1 68 ? -12.846 10.787 -9.124 1.0 33.01 ? 68 A 1 +ATOM 1025 C CB . LYS A 1 68 ? -10.37 11.306 -7.166 1.0 41.41 ? 68 A 1 +ATOM 1026 C CG . LYS A 1 68 ? -11.212 10.276 -6.434 1.0 61.44 ? 68 A 1 +ATOM 1027 C CD . LYS A 1 68 ? -10.715 8.863 -6.694 1.0 43.41 ? 68 A 1 +ATOM 1028 C CE . LYS A 1 68 ? -9.68 8.439 -5.664 1.0 23.43 ? 68 A 1 +ATOM 1029 N NZ . LYS A 1 68 ? -10.241 8.43 -4.284 1.0 52.05 ? 68 A 1 +ATOM 1030 H H . LYS A 1 68 ? -8.921 12.633 -8.768 1.0 75.53 ? 68 A 1 +ATOM 1031 H HA . LYS A 1 68 ? -10.337 10.263 -9.035 1.0 31.4 ? 68 A 1 +ATOM 1032 H HB2 . LYS A 1 68 ? -9.332 11.13 -6.924 1.0 51.5 ? 68 A 1 +ATOM 1033 H HB3 . LYS A 1 68 ? -10.652 12.288 -6.812 1.0 62.4 ? 68 A 1 +ATOM 1034 H HG2 . LYS A 1 68 ? -11.165 10.473 -5.374 1.0 22.33 ? 68 A 1 +ATOM 1035 H HG3 . LYS A 1 68 ? -12.236 10.355 -6.772 1.0 45.02 ? 68 A 1 +ATOM 1036 H HD2 . LYS A 1 68 ? -11.551 8.182 -6.649 1.0 14.2 ? 68 A 1 +ATOM 1037 H HD3 . LYS A 1 68 ? -10.268 8.823 -7.678 1.0 13.53 ? 68 A 1 +ATOM 1038 H HE2 . LYS A 1 68 ? -9.334 7.446 -5.908 1.0 43.13 ? 68 A 1 +ATOM 1039 H HE3 . LYS A 1 68 ? -8.85 9.129 -5.701 1.0 63.42 ? 68 A 1 +ATOM 1040 H HZ1 . LYS A 1 68 ? -11.25 8.178 -4.311 1.0 1.54 ? 68 A 1 +ATOM 1041 H HZ2 . LYS A 1 68 ? -10.14 9.371 -3.852 1.0 73.32 ? 68 A 1 +ATOM 1042 H HZ3 . LYS A 1 68 ? -9.737 7.736 -3.698 1.0 23.44 ? 68 A 1 +ATOM 1043 N N . GLU A 1 69 ? -12.184 12.929 -9.318 1.0 51.1 ? 69 A 1 +ATOM 1044 C CA . GLU A 1 69 ? -13.506 13.418 -9.69 1.0 15.41 ? 69 A 1 +ATOM 1045 C C . GLU A 1 69 ? -13.402 14.711 -10.495 1.0 20.25 ? 69 A 1 +ATOM 1046 O O . GLU A 1 69 ? -13.245 15.794 -9.931 1.0 55.15 ? 69 A 1 +ATOM 1047 C CB . GLU A 1 69 ? -14.359 13.65 -8.44 1.0 42.14 ? 69 A 1 +ATOM 1048 C CG . GLU A 1 69 ? -13.648 14.445 -7.358 1.0 32.44 ? 69 A 1 +ATOM 1049 C CD . GLU A 1 69 ? -14.544 15.486 -6.715 1.0 60.3 ? 69 A 1 +ATOM 1050 O OE1 . GLU A 1 69 ? -14.769 16.542 -7.342 1.0 52.11 ? 69 A 1 +ATOM 1051 O OE2 . GLU A 1 69 ? -15.019 15.245 -5.586 1.0 33.22 ? 69 A 1 +ATOM 1052 H H . GLU A 1 69 ? -11.44 13.563 -9.253 1.0 51.55 ? 69 A 1 +ATOM 1053 H HA . GLU A 1 69 ? -13.979 12.665 -10.302 1.0 21.13 ? 69 A 1 +ATOM 1054 H HB2 . GLU A 1 69 ? -15.253 14.186 -8.723 1.0 70.35 ? 69 A 1 +ATOM 1055 H HB3 . GLU A 1 69 ? -14.64 12.692 -8.029 1.0 25.14 ? 69 A 1 +ATOM 1056 H HG2 . GLU A 1 69 ? -13.309 13.763 -6.592 1.0 60.54 ? 69 A 1 +ATOM 1057 H HG3 . GLU A 1 69 ? -12.797 14.944 -7.796 1.0 2.43 ? 69 A 1 +ATOM 1058 N N . SER A 1 70 ? -13.489 14.587 -11.815 1.0 51.41 ? 70 A 1 +ATOM 1059 C CA . SER A 1 70 ? -13.4 15.744 -12.698 1.0 50.24 ? 70 A 1 +ATOM 1060 C C . SER A 1 70 ? -14.717 15.968 -13.435 1.0 72.1 ? 70 A 1 +ATOM 1061 O O . SER A 1 70 ? -15.397 15.016 -13.82 1.0 13.02 ? 70 A 1 +ATOM 1062 C CB . SER A 1 70 ? -12.264 15.557 -13.706 1.0 75.43 ? 70 A 1 +ATOM 1063 O OG . SER A 1 70 ? -11.478 16.73 -13.812 1.0 45.33 ? 70 A 1 +ATOM 1064 H H . SER A 1 70 ? -13.614 13.696 -12.204 1.0 42.55 ? 70 A 1 +ATOM 1065 H HA . SER A 1 70 ? -13.19 16.611 -12.089 1.0 61.25 ? 70 A 1 +ATOM 1066 H HB2 . SER A 1 70 ? -11.633 14.742 -13.386 1.0 1.23 ? 70 A 1 +ATOM 1067 H HB3 . SER A 1 70 ? -12.682 15.328 -14.676 1.0 50.33 ? 70 A 1 +ATOM 1068 H HG . SER A 1 70 ? -12.049 17.487 -13.96 1.0 14.24 ? 70 A 1 +ATOM 1069 N N . THR A 1 71 ? -15.072 17.234 -13.628 1.0 52.55 ? 71 A 1 +ATOM 1070 C CA . THR A 1 71 ? -16.308 17.585 -14.317 1.0 43.33 ? 71 A 1 +ATOM 1071 C C . THR A 1 71 ? -16.058 17.84 -15.799 1.0 63.44 ? 71 A 1 +ATOM 1072 O O . THR A 1 71 ? -15.341 18.771 -16.168 1.0 13.52 ? 71 A 1 +ATOM 1073 C CB . THR A 1 71 ? -16.962 18.834 -13.697 1.0 4.41 ? 71 A 1 +ATOM 1074 O OG1 . THR A 1 71 ? -15.955 19.785 -13.334 1.0 4.41 ? 71 A 1 +ATOM 1075 C CG2 . THR A 1 71 ? -17.782 18.463 -12.471 1.0 4.35 ? 71 A 1 +ATOM 1076 H H . THR A 1 71 ? -14.488 17.949 -13.299 1.0 14.04 ? 71 A 1 +ATOM 1077 H HA . THR A 1 71 ? -16.994 16.757 -14.215 1.0 24.13 ? 71 A 1 +ATOM 1078 H HB . THR A 1 71 ? -17.619 19.28 -14.43 1.0 70.41 ? 71 A 1 +ATOM 1079 H HG1 . THR A 1 71 ? -16.368 20.549 -12.924 1.0 53.11 ? 71 A 1 +ATOM 1080 H HG21 . THR A 1 71 ? -17.373 17.57 -12.022 1.0 12.42 ? 71 A 1 +ATOM 1081 H HG22 . THR A 1 71 ? -18.805 18.283 -12.763 1.0 75.2 ? 71 A 1 +ATOM 1082 H HG23 . THR A 1 71 ? -17.748 19.273 -11.757 1.0 31.12 ? 71 A 1 +ATOM 1083 N N . LEU A 1 72 ? -16.652 17.007 -16.646 1.0 74.32 ? 72 A 1 +ATOM 1084 C CA . LEU A 1 72 ? -16.495 17.142 -18.09 1.0 62.12 ? 72 A 1 +ATOM 1085 C C . LEU A 1 72 ? -17.852 17.202 -18.783 1.0 14.1 ? 72 A 1 +ATOM 1086 O O . LEU A 1 72 ? -18.819 16.586 -18.333 1.0 22.33 ? 72 A 1 +ATOM 1087 C CB . LEU A 1 72 ? -15.677 15.974 -18.645 1.0 54.24 ? 72 A 1 +ATOM 1088 C CG . LEU A 1 72 ? -15.846 15.686 -20.138 1.0 12.34 ? 72 A 1 +ATOM 1089 C CD1 . LEU A 1 72 ? -15.307 16.841 -20.968 1.0 71.53 ? 72 A 1 +ATOM 1090 C CD2 . LEU A 1 72 ? -15.15 14.386 -20.512 1.0 45.31 ? 72 A 1 +ATOM 1091 H H . LEU A 1 72 ? -17.211 16.283 -16.293 1.0 40.44 ? 72 A 1 +ATOM 1092 H HA . LEU A 1 72 ? -15.966 18.064 -18.281 1.0 22.23 ? 72 A 1 +ATOM 1093 H HB2 . LEU A 1 72 ? -14.635 16.186 -18.466 1.0 24.33 ? 72 A 1 +ATOM 1094 H HB3 . LEU A 1 72 ? -15.962 15.085 -18.101 1.0 64.44 ? 72 A 1 +ATOM 1095 H HG . LEU A 1 72 ? -16.899 15.579 -20.36 1.0 60.22 ? 72 A 1 +ATOM 1096 H HD11 . LEU A 1 72 ? -16.044 17.131 -21.702 1.0 22.12 ? 72 A 1 +ATOM 1097 H HD12 . LEU A 1 72 ? -14.402 16.531 -21.47 1.0 11.12 ? 72 A 1 +ATOM 1098 H HD13 . LEU A 1 72 ? -15.091 17.679 -20.322 1.0 74.11 ? 72 A 1 +ATOM 1099 H HD21 . LEU A 1 72 ? -15.669 13.925 -21.339 1.0 45.11 ? 72 A 1 +ATOM 1100 H HD22 . LEU A 1 72 ? -15.157 13.718 -19.664 1.0 64.51 ? 72 A 1 +ATOM 1101 H HD23 . LEU A 1 72 ? -14.128 14.594 -20.798 1.0 15.53 ? 72 A 1 +ATOM 1102 N N . HIS A 1 73 ? -17.918 17.947 -19.882 1.0 22.1 ? 73 A 1 +ATOM 1103 C CA . HIS A 1 73 ? -19.157 18.085 -20.639 1.0 43.22 ? 73 A 1 +ATOM 1104 C C . HIS A 1 73 ? -19.179 17.125 -21.825 1.0 1.12 ? 73 A 1 +ATOM 1105 O O . HIS A 1 73 ? -18.312 17.18 -22.698 1.0 41.41 ? 73 A 1 +ATOM 1106 C CB . HIS A 1 73 ? -19.321 19.524 -21.13 1.0 34.11 ? 73 A 1 +ATOM 1107 C CG . HIS A 1 73 ? -20.679 19.813 -21.694 1.0 25.31 ? 73 A 1 +ATOM 1108 N ND1 . HIS A 1 73 ? -21.391 20.955 -21.394 1.0 22.31 ? 73 A 1 +ATOM 1109 C CD2 . HIS A 1 73 ? -21.453 19.101 -22.546 1.0 30.12 ? 73 A 1 +ATOM 1110 C CE1 . HIS A 1 73 ? -22.545 20.932 -22.035 1.0 74.03 ? 73 A 1 +ATOM 1111 N NE2 . HIS A 1 73 ? -22.608 19.818 -22.742 1.0 22.32 ? 73 A 1 +ATOM 1112 H H . HIS A 1 73 ? -17.114 18.414 -20.191 1.0 41.1 ? 73 A 1 +ATOM 1113 H HA . HIS A 1 73 ? -19.977 17.843 -19.981 1.0 23.25 ? 73 A 1 +ATOM 1114 H HB2 . HIS A 1 73 ? -19.155 20.2 -20.304 1.0 51.13 ? 73 A 1 +ATOM 1115 H HB3 . HIS A 1 73 ? -18.592 19.72 -21.902 1.0 64.13 ? 73 A 1 +ATOM 1116 H HD1 . HIS A 1 73 ? -21.095 21.674 -20.798 1.0 63.31 ? 73 A 1 +ATOM 1117 H HD2 . HIS A 1 73 ? -21.209 18.146 -22.989 1.0 71.43 ? 73 A 1 +ATOM 1118 H HE1 . HIS A 1 73 ? -23.309 21.694 -21.991 1.0 3.34 ? 73 A 1 +ATOM 1119 N N . LEU A 1 74 ? -20.174 16.246 -21.849 1.0 31.4 ? 74 A 1 +ATOM 1120 C CA . LEU A 1 74 ? -20.309 15.272 -22.927 1.0 41.22 ? 74 A 1 +ATOM 1121 C C . LEU A 1 74 ? -21.536 15.573 -23.782 1.0 21.0 ? 74 A 1 +ATOM 1122 O O . LEU A 1 74 ? -22.666 15.551 -23.294 1.0 70.53 ? 74 A 1 +ATOM 1123 C CB . LEU A 1 74 ? -20.407 13.857 -22.354 1.0 42.32 ? 74 A 1 +ATOM 1124 C CG . LEU A 1 74 ? -21.014 12.8 -23.277 1.0 13.02 ? 74 A 1 +ATOM 1125 C CD1 . LEU A 1 74 ? -20.296 12.785 -24.617 1.0 50.12 ? 74 A 1 +ATOM 1126 C CD2 . LEU A 1 74 ? -20.958 11.427 -22.624 1.0 22.4 ? 74 A 1 +ATOM 1127 H H . LEU A 1 74 ? -20.834 16.25 -21.125 1.0 53.04 ? 74 A 1 +ATOM 1128 H HA . LEU A 1 74 ? -19.428 15.341 -23.547 1.0 65.43 ? 74 A 1 +ATOM 1129 H HB2 . LEU A 1 74 ? -19.41 13.536 -22.095 1.0 22.02 ? 74 A 1 +ATOM 1130 H HB3 . LEU A 1 74 ? -21.012 13.905 -21.46 1.0 20.31 ? 74 A 1 +ATOM 1131 H HG . LEU A 1 74 ? -22.052 13.043 -23.458 1.0 34.12 ? 74 A 1 +ATOM 1132 H HD11 . LEU A 1 74 ? -20.256 11.774 -24.993 1.0 33.01 ? 74 A 1 +ATOM 1133 H HD12 . LEU A 1 74 ? -19.292 13.162 -24.492 1.0 1.34 ? 74 A 1 +ATOM 1134 H HD13 . LEU A 1 74 ? -20.83 13.41 -25.318 1.0 63.14 ? 74 A 1 +ATOM 1135 H HD21 . LEU A 1 74 ? -19.928 11.116 -22.527 1.0 12.32 ? 74 A 1 +ATOM 1136 H HD22 . LEU A 1 74 ? -21.492 10.715 -23.236 1.0 54.43 ? 74 A 1 +ATOM 1137 H HD23 . LEU A 1 74 ? -21.414 11.474 -21.646 1.0 14.02 ? 74 A 1 +ATOM 1138 N N . VAL A 1 75 ? -21.306 15.852 -25.061 1.0 43.5 ? 75 A 1 +ATOM 1139 C CA . VAL A 1 75 ? -22.392 16.154 -25.985 1.0 52.32 ? 75 A 1 +ATOM 1140 C C . VAL A 1 75 ? -22.532 15.066 -27.043 1.0 61.15 ? 75 A 1 +ATOM 1141 O O . VAL A 1 75 ? -21.606 14.813 -27.816 1.0 54.31 ? 75 A 1 +ATOM 1142 C CB . VAL A 1 75 ? -22.175 17.51 -26.684 1.0 24.5 ? 75 A 1 +ATOM 1143 C CG1 . VAL A 1 75 ? -22.475 18.656 -25.731 1.0 55.3 ? 75 A 1 +ATOM 1144 C CG2 . VAL A 1 75 ? -20.755 17.61 -27.22 1.0 64.14 ? 75 A 1 +ATOM 1145 H H . VAL A 1 75 ? -20.383 15.855 -25.391 1.0 70.11 ? 75 A 1 +ATOM 1146 H HA . VAL A 1 75 ? -23.309 16.21 -25.416 1.0 60.52 ? 75 A 1 +ATOM 1147 H HB . VAL A 1 75 ? -22.858 17.575 -27.518 1.0 44.41 ? 75 A 1 +ATOM 1148 H HG11 . VAL A 1 75 ? -21.558 19.173 -25.489 1.0 31.54 ? 75 A 1 +ATOM 1149 H HG12 . VAL A 1 75 ? -23.164 19.344 -26.2 1.0 61.34 ? 75 A 1 +ATOM 1150 H HG13 . VAL A 1 75 ? -22.917 18.265 -24.826 1.0 54.52 ? 75 A 1 +ATOM 1151 H HG21 . VAL A 1 75 ? -20.599 16.85 -27.972 1.0 5.24 ? 75 A 1 +ATOM 1152 H HG22 . VAL A 1 75 ? -20.604 18.586 -27.657 1.0 61.35 ? 75 A 1 +ATOM 1153 H HG23 . VAL A 1 75 ? -20.053 17.466 -26.412 1.0 24.43 ? 75 A 1 +ATOM 1154 N N . LEU A 1 76 ? -23.694 14.424 -27.074 1.0 35.1 ? 76 A 1 +ATOM 1155 C CA . LEU A 1 76 ? -23.957 13.362 -28.039 1.0 22.53 ? 76 A 1 +ATOM 1156 C C . LEU A 1 76 ? -25.073 13.761 -28.999 1.0 2.14 ? 76 A 1 +ATOM 1157 O O . LEU A 1 76 ? -26.09 14.319 -28.586 1.0 21.5 ? 76 A 1 +ATOM 1158 C CB . LEU A 1 76 ? -24.331 12.068 -27.313 1.0 73.12 ? 76 A 1 +ATOM 1159 C CG . LEU A 1 76 ? -23.826 11.934 -25.876 1.0 64.45 ? 76 A 1 +ATOM 1160 C CD1 . LEU A 1 76 ? -24.855 12.474 -24.896 1.0 24.13 ? 76 A 1 +ATOM 1161 C CD2 . LEU A 1 76 ? -23.496 10.482 -25.561 1.0 22.03 ? 76 A 1 +ATOM 1162 H H . LEU A 1 76 ? -24.394 14.669 -26.433 1.0 44.32 ? 76 A 1 +ATOM 1163 H HA . LEU A 1 76 ? -23.052 13.198 -28.605 1.0 53.04 ? 76 A 1 +ATOM 1164 H HB2 . LEU A 1 76 ? -25.408 12.001 -27.292 1.0 71.31 ? 76 A 1 +ATOM 1165 H HB3 . LEU A 1 76 ? -23.932 11.242 -27.884 1.0 62.14 ? 76 A 1 +ATOM 1166 H HG . LEU A 1 76 ? -22.921 12.515 -25.764 1.0 42.11 ? 76 A 1 +ATOM 1167 H HD11 . LEU A 1 76 ? -25.455 13.227 -25.383 1.0 12.14 ? 76 A 1 +ATOM 1168 H HD12 . LEU A 1 76 ? -24.349 12.91 -24.047 1.0 23.21 ? 76 A 1 +ATOM 1169 H HD13 . LEU A 1 76 ? -25.49 11.667 -24.56 1.0 40.2 ? 76 A 1 +ATOM 1170 H HD21 . LEU A 1 76 ? -23.666 9.875 -26.437 1.0 53.24 ? 76 A 1 +ATOM 1171 H HD22 . LEU A 1 76 ? -24.127 10.137 -24.755 1.0 72.02 ? 76 A 1 +ATOM 1172 H HD23 . LEU A 1 76 ? -22.46 10.405 -25.264 1.0 63.4 ? 76 A 1 +ATOM 1173 N N . ARG A 1 77 ? -24.876 13.47 -30.28 1.0 50.44 ? 77 A 1 +ATOM 1174 C CA . ARG A 1 77 ? -25.866 13.798 -31.299 1.0 12.4 ? 77 A 1 +ATOM 1175 C C . ARG A 1 77 ? -26.636 12.553 -31.73 1.0 10.32 ? 77 A 1 +ATOM 1176 O O . ARG A 1 77 ? -26.551 12.125 -32.882 1.0 12.43 ? 77 A 1 +ATOM 1177 C CB . ARG A 1 77 ? -25.188 14.437 -32.512 1.0 55.35 ? 77 A 1 +ATOM 1178 C CG . ARG A 1 77 ? -24.609 15.814 -32.232 1.0 12.22 ? 77 A 1 +ATOM 1179 C CD . ARG A 1 77 ? -23.089 15.796 -32.262 1.0 60.22 ? 77 A 1 +ATOM 1180 N NE . ARG A 1 77 ? -22.529 17.134 -32.432 1.0 64.33 ? 77 A 1 +ATOM 1181 C CZ . ARG A 1 77 ? -22.48 17.767 -33.599 1.0 13.31 ? 77 A 1 +ATOM 1182 N NH1 . ARG A 1 77 ? -22.957 17.188 -34.692 1.0 63.3 ? 77 A 1 +ATOM 1183 N NH2 . ARG A 1 77 ? -21.955 18.984 -33.673 1.0 70.54 ? 77 A 1 +ATOM 1184 H H . ARG A 1 77 ? -24.045 13.025 -30.548 1.0 2.41 ? 77 A 1 +ATOM 1185 H HA . ARG A 1 77 ? -26.56 14.506 -30.871 1.0 53.23 ? 77 A 1 +ATOM 1186 H HB2 . ARG A 1 77 ? -24.386 13.794 -32.842 1.0 41.04 ? 77 A 1 +ATOM 1187 H HB3 . ARG A 1 77 ? -25.914 14.531 -33.307 1.0 23.23 ? 77 A 1 +ATOM 1188 H HG2 . ARG A 1 77 ? -24.965 16.504 -32.983 1.0 3.21 ? 77 A 1 +ATOM 1189 H HG3 . ARG A 1 77 ? -24.938 16.14 -31.256 1.0 45.32 ? 77 A 1 +ATOM 1190 H HD2 . ARG A 1 77 ? -22.729 15.381 -31.333 1.0 24.22 ? 77 A 1 +ATOM 1191 H HD3 . ARG A 1 77 ? -22.766 15.173 -33.083 1.0 55.12 ? 77 A 1 +ATOM 1192 H HE . ARG A 1 77 ? -22.171 17.58 -31.637 1.0 41.44 ? 77 A 1 +ATOM 1193 H HH11 . ARG A 1 77 ? -23.354 16.272 -34.639 1.0 31.24 ? 77 A 1 +ATOM 1194 H HH12 . ARG A 1 77 ? -22.92 17.668 -35.569 1.0 72.5 ? 77 A 1 +ATOM 1195 H HH21 . ARG A 1 77 ? -21.595 19.424 -32.851 1.0 71.34 ? 77 A 1 +ATOM 1196 H HH22 . ARG A 1 77 ? -21.919 19.459 -34.552 1.0 1.44 ? 77 A 1 +ATOM 1197 N N . LEU A 1 78 ? -27.386 11.976 -30.798 1.0 31.03 ? 78 A 1 +ATOM 1198 C CA . LEU A 1 78 ? -28.171 10.779 -31.08 1.0 51.32 ? 78 A 1 +ATOM 1199 C C . LEU A 1 78 ? -29.425 11.126 -31.876 1.0 14.11 ? 78 A 1 +ATOM 1200 O O . LEU A 1 78 ? -29.683 10.546 -32.931 1.0 12.31 ? 78 A 1 +ATOM 1201 C CB . LEU A 1 78 ? -28.558 10.079 -29.776 1.0 42.51 ? 78 A 1 +ATOM 1202 C CG . LEU A 1 78 ? -27.551 9.063 -29.235 1.0 51.45 ? 78 A 1 +ATOM 1203 C CD1 . LEU A 1 78 ? -26.209 9.729 -28.973 1.0 14.44 ? 78 A 1 +ATOM 1204 C CD2 . LEU A 1 78 ? -28.082 8.41 -27.968 1.0 25.32 ? 78 A 1 +ATOM 1205 H H . LEU A 1 78 ? -27.413 12.363 -29.898 1.0 75.31 ? 78 A 1 +ATOM 1206 H HA . LEU A 1 78 ? -27.559 10.113 -31.669 1.0 64.2 ? 78 A 1 +ATOM 1207 H HB2 . LEU A 1 78 ? -28.698 10.839 -29.022 1.0 61.14 ? 78 A 1 +ATOM 1208 H HB3 . LEU A 1 78 ? -29.493 9.564 -29.943 1.0 62.32 ? 78 A 1 +ATOM 1209 H HG . LEU A 1 78 ? -27.399 8.288 -29.974 1.0 53.42 ? 78 A 1 +ATOM 1210 H HD11 . LEU A 1 78 ? -25.536 9.516 -29.789 1.0 3.24 ? 78 A 1 +ATOM 1211 H HD12 . LEU A 1 78 ? -25.792 9.348 -28.052 1.0 74.14 ? 78 A 1 +ATOM 1212 H HD13 . LEU A 1 78 ? -26.348 10.797 -28.889 1.0 11.41 ? 78 A 1 +ATOM 1213 H HD21 . LEU A 1 78 ? -29.161 8.451 -27.966 1.0 65.32 ? 78 A 1 +ATOM 1214 H HD22 . LEU A 1 78 ? -27.7 8.936 -27.105 1.0 65.43 ? 78 A 1 +ATOM 1215 H HD23 . LEU A 1 78 ? -27.759 7.379 -27.933 1.0 34.04 ? 78 A 1 +ATOM 1216 N N . ARG A 1 79 ? -30.201 12.076 -31.364 1.0 44.5 ? 79 A 1 +ATOM 1217 C CA . ARG A 1 79 ? -31.427 12.501 -32.027 1.0 54.44 ? 79 A 1 +ATOM 1218 C C . ARG A 1 79 ? -32.402 11.335 -32.167 1.0 43.43 ? 79 A 1 +ATOM 1219 O O . ARG A 1 79 ? -33.196 11.286 -33.106 1.0 24.23 ? 79 A 1 +ATOM 1220 C CB . ARG A 1 79 ? -31.111 13.084 -33.406 1.0 53.1 ? 79 A 1 +ATOM 1221 C CG . ARG A 1 79 ? -32.115 14.127 -33.871 1.0 62.42 ? 79 A 1 +ATOM 1222 C CD . ARG A 1 79 ? -31.475 15.133 -34.815 1.0 15.2 ? 79 A 1 +ATOM 1223 N NE . ARG A 1 79 ? -31.728 14.807 -36.216 1.0 22.21 ? 79 A 1 +ATOM 1224 C CZ . ARG A 1 79 ? -32.924 14.895 -36.787 1.0 43.33 ? 79 A 1 +ATOM 1225 N NH1 . ARG A 1 79 ? -33.971 15.298 -36.081 1.0 51.34 ? 79 A 1 +ATOM 1226 N NH2 . ARG A 1 79 ? -33.074 14.581 -38.068 1.0 24.34 ? 79 A 1 +ATOM 1227 H H . ARG A 1 79 ? -29.942 12.502 -30.52 1.0 30.43 ? 79 A 1 +ATOM 1228 H HA . ARG A 1 79 ? -31.885 13.267 -31.419 1.0 75.12 ? 79 A 1 +ATOM 1229 H HB2 . ARG A 1 79 ? -30.135 13.546 -33.374 1.0 72.51 ? 79 A 1 +ATOM 1230 H HB3 . ARG A 1 79 ? -31.098 12.282 -34.128 1.0 62.3 ? 79 A 1 +ATOM 1231 H HG2 . ARG A 1 79 ? -32.923 13.63 -34.387 1.0 34.21 ? 79 A 1 +ATOM 1232 H HG3 . ARG A 1 79 ? -32.502 14.649 -33.009 1.0 51.44 ? 79 A 1 +ATOM 1233 H HD2 . ARG A 1 79 ? -31.881 16.112 -34.605 1.0 21.42 ? 79 A 1 +ATOM 1234 H HD3 . ARG A 1 79 ? -30.41 15.141 -34.643 1.0 24.22 ? 79 A 1 +ATOM 1235 H HE . ARG A 1 79 ? -30.968 14.507 -36.756 1.0 63.2 ? 79 A 1 +ATOM 1236 H HH11 . ARG A 1 79 ? -33.861 15.537 -35.117 1.0 0.03 ? 79 A 1 +ATOM 1237 H HH12 . ARG A 1 79 ? -34.87 15.365 -36.514 1.0 54.33 ? 79 A 1 +ATOM 1238 H HH21 . ARG A 1 79 ? -32.286 14.277 -38.603 1.0 72.3 ? 79 A 1 +ATOM 1239 H HH22 . ARG A 1 79 ? -33.974 14.647 -38.497 1.0 2.44 ? 79 A 1 +ATOM 1240 N N . GLY A 1 80 ? -32.334 10.398 -31.227 1.0 11.03 ? 80 A 1 +ATOM 1241 C CA . GLY A 1 80 ? -33.215 9.245 -31.264 1.0 3.12 ? 80 A 1 +ATOM 1242 C C . GLY A 1 80 ? -32.484 7.969 -31.633 1.0 52.34 ? 80 A 1 +ATOM 1243 O O . GLY A 1 80 ? -32.035 7.809 -32.767 1.0 43.44 ? 80 A 1 +ATOM 1244 H H . GLY A 1 80 ? -31.681 10.49 -30.502 1.0 0.24 ? 80 A 1 +ATOM 1245 H HA2 . GLY A 1 80 ? -33.667 9.12 -30.291 1.0 71.24 ? 80 A 1 +ATOM 1246 H HA3 . GLY A 1 80 ? -33.993 9.424 -31.991 1.0 43.14 ? 80 A 1 +ATOM 1247 N N . GLY A 1 81 ? -32.364 7.058 -30.672 1.0 43.34 ? 81 A 1 +ATOM 1248 C CA . GLY A 1 81 ? -31.68 5.803 -30.922 1.0 20.2 ? 81 A 1 +ATOM 1249 C C . GLY A 1 81 ? -31.579 4.941 -29.679 1.0 63.23 ? 81 A 1 +ATOM 1250 O O . GLY A 1 81 ? -32.344 5.114 -28.731 1.0 30.24 ? 81 A 1 +ATOM 1251 H H . GLY A 1 81 ? -32.742 7.24 -29.787 1.0 11.33 ? 81 A 1 +ATOM 1252 H HA2 . GLY A 1 81 ? -32.218 5.258 -31.683 1.0 30.51 ? 81 A 1 +ATOM 1253 H HA3 . GLY A 1 81 ? -30.683 6.014 -31.281 1.0 55.14 ? 81 A 1 +ATOM 1254 N N . VAL A 1 82 ? -30.632 4.008 -29.684 1.0 30.52 ? 82 A 1 +ATOM 1255 C CA . VAL A 1 82 ? -30.434 3.114 -28.549 1.0 4.45 ? 82 A 1 +ATOM 1256 C C . VAL A 1 82 ? -30.241 3.902 -27.257 1.0 63.52 ? 82 A 1 +ATOM 1257 O O . VAL A 1 82 ? -31.165 4.035 -26.456 1.0 12.52 ? 82 A 1 +ATOM 1258 C CB . VAL A 1 82 ? -29.216 2.195 -28.763 1.0 53.54 ? 82 A 1 +ATOM 1259 C CG1 . VAL A 1 82 ? -29.525 1.136 -29.81 1.0 33.31 ? 82 A 1 +ATOM 1260 C CG2 . VAL A 1 82 ? -27.997 3.012 -29.164 1.0 1.13 ? 82 A 1 +ATOM 1261 H H . VAL A 1 82 ? -30.053 3.918 -30.469 1.0 42.11 ? 82 A 1 +ATOM 1262 H HA . VAL A 1 82 ? -31.314 2.495 -28.453 1.0 65.12 ? 82 A 1 +ATOM 1263 H HB . VAL A 1 82 ? -28.999 1.696 -27.831 1.0 3.02 ? 82 A 1 +ATOM 1264 H HG11 . VAL A 1 82 ? -29.329 1.535 -30.794 1.0 71.54 ? 82 A 1 +ATOM 1265 H HG12 . VAL A 1 82 ? -28.903 0.269 -29.64 1.0 43.52 ? 82 A 1 +ATOM 1266 H HG13 . VAL A 1 82 ? -30.565 0.852 -29.738 1.0 60.31 ? 82 A 1 +ATOM 1267 H HG21 . VAL A 1 82 ? -27.114 2.588 -28.709 1.0 51.1 ? 82 A 1 +ATOM 1268 H HG22 . VAL A 1 82 ? -27.892 2.997 -30.238 1.0 43.42 ? 82 A 1 +ATOM 1269 H HG23 . VAL A 1 82 ? -28.12 4.032 -28.828 1.0 61.21 ? 82 A 1 +ATOM 1 N N . GLY A 1 1 ? -15.058 -3.936 -6.094 1.0 13.0 ? 1 A 2 +ATOM 2 C CA . GLY A 1 1 ? -14.031 -3.501 -5.166 1.0 45.03 ? 1 A 2 +ATOM 3 C C . GLY A 1 1 ? -13.291 -2.271 -5.655 1.0 65.21 ? 1 A 2 +ATOM 4 O O . GLY A 1 1 ? -13.379 -1.89 -6.822 1.0 33.34 ? 1 A 2 +ATOM 5 H H1 . GLY A 1 1 ? -15.465 -3.29 -6.709 1.0 52.4 ? 1 A 2 +ATOM 6 H HA2 . GLY A 1 1 ? -14.491 -3.277 -4.215 1.0 14.15 ? 1 A 2 +ATOM 7 H HA3 . GLY A 1 1 ? -13.321 -4.303 -5.03 1.0 34.23 ? 1 A 2 +ATOM 8 N N . PRO A 1 2 ? -12.541 -1.627 -4.748 1.0 55.32 ? 2 A 2 +ATOM 9 C CA . PRO A 1 2 ? -11.769 -0.423 -5.069 1.0 21.43 ? 2 A 2 +ATOM 10 C C . PRO A 1 2 ? -10.584 -0.721 -5.981 1.0 41.45 ? 2 A 2 +ATOM 11 O O . PRO A 1 2 ? -9.89 -1.723 -5.806 1.0 62.42 ? 2 A 2 +ATOM 12 C CB . PRO A 1 2 ? -11.283 0.063 -3.702 1.0 51.45 ? 2 A 2 +ATOM 13 C CG . PRO A 1 2 ? -11.259 -1.161 -2.852 1.0 43.11 ? 2 A 2 +ATOM 14 C CD . PRO A 1 2 ? -12.39 -2.025 -3.338 1.0 64.14 ? 2 A 2 +ATOM 15 H HA . PRO A 1 2 ? -12.389 0.336 -5.523 1.0 31.54 ? 2 A 2 +ATOM 16 H HB2 . PRO A 1 2 ? -10.298 0.496 -3.8 1.0 42.4 ? 2 A 2 +ATOM 17 H HB3 . PRO A 1 2 ? -11.969 0.8 -3.313 1.0 62.54 ? 2 A 2 +ATOM 18 H HG2 . PRO A 1 2 ? -10.317 -1.673 -2.972 1.0 3.22 ? 2 A 2 +ATOM 19 H HG3 . PRO A 1 2 ? -11.412 -0.891 -1.817 1.0 51.14 ? 2 A 2 +ATOM 20 H HD2 . PRO A 1 2 ? -12.127 -3.07 -3.258 1.0 11.0 ? 2 A 2 +ATOM 21 H HD3 . PRO A 1 2 ? -13.291 -1.816 -2.78 1.0 24.12 ? 2 A 2 +ATOM 22 N N . LEU A 1 3 ? -10.357 0.155 -6.954 1.0 34.12 ? 3 A 2 +ATOM 23 C CA . LEU A 1 3 ? -9.254 -0.014 -7.894 1.0 54.03 ? 3 A 2 +ATOM 24 C C . LEU A 1 3 ? -9.178 1.163 -8.861 1.0 63.21 ? 3 A 2 +ATOM 25 O O . LEU A 1 3 ? -10.184 1.808 -9.15 1.0 11.24 ? 3 A 2 +ATOM 26 C CB . LEU A 1 3 ? -9.419 -1.32 -8.674 1.0 60.12 ? 3 A 2 +ATOM 27 C CG . LEU A 1 3 ? -10.771 -1.527 -9.359 1.0 64.13 ? 3 A 2 +ATOM 28 C CD1 . LEU A 1 3 ? -10.7 -1.106 -10.818 1.0 62.25 ? 3 A 2 +ATOM 29 C CD2 . LEU A 1 3 ? -11.211 -2.979 -9.241 1.0 0.12 ? 3 A 2 +ATOM 30 H H . LEU A 1 3 ? -10.945 0.934 -7.043 1.0 52.35 ? 3 A 2 +ATOM 31 H HA . LEU A 1 3 ? -8.338 -0.058 -7.325 1.0 43.13 ? 3 A 2 +ATOM 32 H HB2 . LEU A 1 3 ? -8.655 -1.348 -9.436 1.0 74.24 ? 3 A 2 +ATOM 33 H HB3 . LEU A 1 3 ? -9.267 -2.138 -7.984 1.0 72.41 ? 3 A 2 +ATOM 34 H HG . LEU A 1 3 ? -11.513 -0.911 -8.869 1.0 43.5 ? 3 A 2 +ATOM 35 H HD11 . LEU A 1 3 ? -11.6 -0.571 -11.082 1.0 50.45 ? 3 A 2 +ATOM 36 H HD12 . LEU A 1 3 ? -10.607 -1.982 -11.442 1.0 4.34 ? 3 A 2 +ATOM 37 H HD13 . LEU A 1 3 ? -9.843 -0.465 -10.967 1.0 54.42 ? 3 A 2 +ATOM 38 H HD21 . LEU A 1 3 ? -11.808 -3.103 -8.35 1.0 23.33 ? 3 A 2 +ATOM 39 H HD22 . LEU A 1 3 ? -10.34 -3.615 -9.183 1.0 1.01 ? 3 A 2 +ATOM 40 H HD23 . LEU A 1 3 ? -11.796 -3.249 -10.109 1.0 75.24 ? 3 A 2 +ATOM 41 N N . GLY A 1 4 ? -7.975 1.436 -9.359 1.0 4.21 ? 4 A 2 +ATOM 42 C CA . GLY A 1 4 ? -7.789 2.534 -10.289 1.0 43.34 ? 4 A 2 +ATOM 43 C C . GLY A 1 4 ? -6.847 3.594 -9.754 1.0 32.24 ? 4 A 2 +ATOM 44 O O . GLY A 1 4 ? -6.263 3.432 -8.683 1.0 73.31 ? 4 A 2 +ATOM 45 H H . GLY A 1 4 ? -7.208 0.887 -9.092 1.0 2.13 ? 4 A 2 +ATOM 46 H HA2 . GLY A 1 4 ? -7.389 2.144 -11.213 1.0 53.5 ? 4 A 2 +ATOM 47 H HA3 . GLY A 1 4 ? -8.749 2.989 -10.488 1.0 61.41 ? 4 A 2 +ATOM 48 N N . SER A 1 5 ? -6.698 4.682 -10.503 1.0 14.33 ? 5 A 2 +ATOM 49 C CA . SER A 1 5 ? -5.815 5.771 -10.1 1.0 12.42 ? 5 A 2 +ATOM 50 C C . SER A 1 5 ? -6.608 7.053 -9.863 1.0 43.22 ? 5 A 2 +ATOM 51 O O . SER A 1 5 ? -6.73 7.52 -8.731 1.0 33.52 ? 5 A 2 +ATOM 52 C CB . SER A 1 5 ? -4.745 6.01 -11.167 1.0 72.02 ? 5 A 2 +ATOM 53 O OG . SER A 1 5 ? -3.601 6.634 -10.611 1.0 21.35 ? 5 A 2 +ATOM 54 H H . SER A 1 5 ? -7.191 4.753 -11.347 1.0 31.12 ? 5 A 2 +ATOM 55 H HA . SER A 1 5 ? -5.334 5.484 -9.177 1.0 12.32 ? 5 A 2 +ATOM 56 H HB2 . SER A 1 5 ? -4.451 5.064 -11.596 1.0 41.01 ? 5 A 2 +ATOM 57 H HB3 . SER A 1 5 ? -5.148 6.647 -11.941 1.0 74.13 ? 5 A 2 +ATOM 58 H HG . SER A 1 5 ? -3.289 6.122 -9.861 1.0 33.45 ? 5 A 2 +ATOM 59 N N . MET A 1 6 ? -7.144 7.618 -10.941 1.0 14.01 ? 6 A 2 +ATOM 60 C CA . MET A 1 6 ? -7.926 8.845 -10.851 1.0 54.33 ? 6 A 2 +ATOM 61 C C . MET A 1 6 ? -9.241 8.709 -11.612 1.0 31.44 ? 6 A 2 +ATOM 62 O O . MET A 1 6 ? -9.257 8.297 -12.771 1.0 1.11 ? 6 A 2 +ATOM 63 C CB . MET A 1 6 ? -7.125 10.027 -11.401 1.0 70.21 ? 6 A 2 +ATOM 64 C CG . MET A 1 6 ? -6.734 9.869 -12.861 1.0 25.05 ? 6 A 2 +ATOM 65 S SD . MET A 1 6 ? -4.993 10.234 -13.157 1.0 3.44 ? 6 A 2 +ATOM 66 C CE . MET A 1 6 ? -4.209 9.061 -12.054 1.0 13.21 ? 6 A 2 +ATOM 67 H H . MET A 1 6 ? -7.012 7.199 -11.817 1.0 2.32 ? 6 A 2 +ATOM 68 H HA . MET A 1 6 ? -8.144 9.024 -9.808 1.0 5.22 ? 6 A 2 +ATOM 69 H HB2 . MET A 1 6 ? -7.717 10.924 -11.304 1.0 62.43 ? 6 A 2 +ATOM 70 H HB3 . MET A 1 6 ? -6.222 10.137 -10.819 1.0 63.34 ? 6 A 2 +ATOM 71 H HG2 . MET A 1 6 ? -6.93 8.851 -13.165 1.0 33.13 ? 6 A 2 +ATOM 72 H HG3 . MET A 1 6 ? -7.335 10.541 -13.455 1.0 12.41 ? 6 A 2 +ATOM 73 H HE1 . MET A 1 6 ? -4.958 8.6 -11.427 1.0 12.23 ? 6 A 2 +ATOM 74 H HE2 . MET A 1 6 ? -3.708 8.3 -12.634 1.0 52.54 ? 6 A 2 +ATOM 75 H HE3 . MET A 1 6 ? -3.488 9.575 -11.436 1.0 2.41 ? 6 A 2 +ATOM 76 N N . GLN A 1 7 ? -10.341 9.058 -10.952 1.0 13.12 ? 7 A 2 +ATOM 77 C CA . GLN A 1 7 ? -11.66 8.973 -11.567 1.0 13.2 ? 7 A 2 +ATOM 78 C C . GLN A 1 7 ? -12.062 10.311 -12.178 1.0 42.42 ? 7 A 2 +ATOM 79 O O . GLN A 1 7 ? -11.548 11.361 -11.791 1.0 71.33 ? 7 A 2 +ATOM 80 C CB . GLN A 1 7 ? -12.7 8.537 -10.534 1.0 42.01 ? 7 A 2 +ATOM 81 C CG . GLN A 1 7 ? -12.202 7.459 -9.585 1.0 12.34 ? 7 A 2 +ATOM 82 C CD . GLN A 1 7 ? -11.543 8.032 -8.346 1.0 44.31 ? 7 A 2 +ATOM 83 O OE1 . GLN A 1 7 ? -11.491 9.248 -8.162 1.0 33.44 ? 7 A 2 +ATOM 84 N NE2 . GLN A 1 7 ? -11.036 7.156 -7.486 1.0 73.32 ? 7 A 2 +ATOM 85 H H . GLN A 1 7 ? -10.263 9.379 -10.03 1.0 71.21 ? 7 A 2 +ATOM 86 H HA . GLN A 1 7 ? -11.612 8.233 -12.351 1.0 62.03 ? 7 A 2 +ATOM 87 H HB2 . GLN A 1 7 ? -12.991 9.396 -9.948 1.0 13.25 ? 7 A 2 +ATOM 88 H HB3 . GLN A 1 7 ? -13.567 8.156 -11.053 1.0 41.42 ? 7 A 2 +ATOM 89 H HG2 . GLN A 1 7 ? -13.04 6.85 -9.28 1.0 43.33 ? 7 A 2 +ATOM 90 H HG3 . GLN A 1 7 ? -11.482 6.844 -10.106 1.0 33.21 ? 7 A 2 +ATOM 91 H HE21 . GLN A 1 7 ? -11.114 6.202 -7.698 1.0 52.01 ? 7 A 2 +ATOM 92 H HE22 . GLN A 1 7 ? -10.604 7.499 -6.677 1.0 55.43 ? 7 A 2 +ATOM 93 N N . ILE A 1 8 ? -12.984 10.265 -13.135 1.0 12.12 ? 8 A 2 +ATOM 94 C CA . ILE A 1 8 ? -13.455 11.474 -13.799 1.0 64.2 ? 8 A 2 +ATOM 95 C C . ILE A 1 8 ? -14.978 11.545 -13.796 1.0 0.33 ? 8 A 2 +ATOM 96 O O . ILE A 1 8 ? -15.657 10.529 -13.645 1.0 11.35 ? 8 A 2 +ATOM 97 C CB . ILE A 1 8 ? -12.952 11.551 -15.252 1.0 65.34 ? 8 A 2 +ATOM 98 C CG1 . ILE A 1 8 ? -12.089 10.331 -15.581 1.0 72.33 ? 8 A 2 +ATOM 99 C CG2 . ILE A 1 8 ? -12.167 12.836 -15.474 1.0 55.24 ? 8 A 2 +ATOM 100 C CD1 . ILE A 1 8 ? -11.709 10.236 -17.042 1.0 11.02 ? 8 A 2 +ATOM 101 H H . ILE A 1 8 ? -13.356 9.399 -13.399 1.0 43.45 ? 8 A 2 +ATOM 102 H HA . ILE A 1 8 ? -13.065 12.325 -13.258 1.0 41.41 ? 8 A 2 +ATOM 103 H HB . ILE A 1 8 ? -13.81 11.564 -15.907 1.0 13.24 ? 8 A 2 +ATOM 104 H HG12 . ILE A 1 8 ? -11.179 10.375 -15.005 1.0 4.11 ? 8 A 2 +ATOM 105 H HG13 . ILE A 1 8 ? -12.633 9.434 -15.32 1.0 33.41 ? 8 A 2 +ATOM 106 H HG21 . ILE A 1 8 ? -11.566 13.046 -14.601 1.0 12.11 ? 8 A 2 +ATOM 107 H HG22 . ILE A 1 8 ? -11.524 12.721 -16.333 1.0 14.43 ? 8 A 2 +ATOM 108 H HG23 . ILE A 1 8 ? -12.853 13.652 -15.643 1.0 53.13 ? 8 A 2 +ATOM 109 H HD11 . ILE A 1 8 ? -12.28 9.448 -17.512 1.0 4.51 ? 8 A 2 +ATOM 110 H HD12 . ILE A 1 8 ? -11.923 11.175 -17.532 1.0 22.53 ? 8 A 2 +ATOM 111 H HD13 . ILE A 1 8 ? -10.656 10.016 -17.127 1.0 32.23 ? 8 A 2 +ATOM 112 N N . PHE A 1 9 ? -15.51 12.751 -13.965 1.0 44.42 ? 9 A 2 +ATOM 113 C CA . PHE A 1 9 ? -16.954 12.954 -13.983 1.0 45.42 ? 9 A 2 +ATOM 114 C C . PHE A 1 9 ? -17.429 13.356 -15.376 1.0 62.05 ? 9 A 2 +ATOM 115 O O . PHE A 1 9 ? -16.933 14.32 -15.96 1.0 33.13 ? 9 A 2 +ATOM 116 C CB . PHE A 1 9 ? -17.352 14.027 -12.967 1.0 42.3 ? 9 A 2 +ATOM 117 C CG . PHE A 1 9 ? -17.511 13.5 -11.57 1.0 44.44 ? 9 A 2 +ATOM 118 C CD1 . PHE A 1 9 ? -18.673 12.848 -11.19 1.0 24.21 ? 9 A 2 +ATOM 119 C CD2 . PHE A 1 9 ? -16.498 13.655 -10.637 1.0 24.11 ? 9 A 2 +ATOM 120 C CE1 . PHE A 1 9 ? -18.822 12.362 -9.904 1.0 54.33 ? 9 A 2 +ATOM 121 C CE2 . PHE A 1 9 ? -16.641 13.171 -9.35 1.0 62.43 ? 9 A 2 +ATOM 122 C CZ . PHE A 1 9 ? -17.805 12.523 -8.984 1.0 72.21 ? 9 A 2 +ATOM 123 H H . PHE A 1 9 ? -14.916 13.523 -14.08 1.0 15.35 ? 9 A 2 +ATOM 124 H HA . PHE A 1 9 ? -17.422 12.021 -13.711 1.0 72.15 ? 9 A 2 +ATOM 125 H HB2 . PHE A 1 9 ? -16.591 14.793 -12.947 1.0 13.22 ? 9 A 2 +ATOM 126 H HB3 . PHE A 1 9 ? -18.291 14.465 -13.267 1.0 20.44 ? 9 A 2 +ATOM 127 H HD1 . PHE A 1 9 ? -19.469 12.72 -11.908 1.0 63.23 ? 9 A 2 +ATOM 128 H HD2 . PHE A 1 9 ? -15.587 14.162 -10.923 1.0 43.5 ? 9 A 2 +ATOM 129 H HE1 . PHE A 1 9 ? -19.732 11.855 -9.62 1.0 53.21 ? 9 A 2 +ATOM 130 H HE2 . PHE A 1 9 ? -15.844 13.299 -8.633 1.0 61.25 ? 9 A 2 +ATOM 131 H HZ . PHE A 1 9 ? -17.919 12.145 -7.979 1.0 11.33 ? 9 A 2 +ATOM 132 N N . VAL A 1 10 ? -18.394 12.609 -15.904 1.0 35.51 ? 10 A 2 +ATOM 133 C CA . VAL A 1 10 ? -18.937 12.887 -17.228 1.0 51.35 ? 10 A 2 +ATOM 134 C C . VAL A 1 10 ? -20.397 13.319 -17.144 1.0 20.3 ? 10 A 2 +ATOM 135 O O . VAL A 1 10 ? -21.222 12.644 -16.528 1.0 33.54 ? 10 A 2 +ATOM 136 C CB . VAL A 1 10 ? -18.831 11.656 -18.148 1.0 1.24 ? 10 A 2 +ATOM 137 C CG1 . VAL A 1 10 ? -18.657 12.085 -19.597 1.0 43.55 ? 10 A 2 +ATOM 138 C CG2 . VAL A 1 10 ? -17.683 10.76 -17.708 1.0 70.41 ? 10 A 2 +ATOM 139 H H . VAL A 1 10 ? -18.749 11.854 -15.391 1.0 13.11 ? 10 A 2 +ATOM 140 H HA . VAL A 1 10 ? -18.359 13.688 -17.666 1.0 52.2 ? 10 A 2 +ATOM 141 H HB . VAL A 1 10 ? -19.749 11.093 -18.07 1.0 21.21 ? 10 A 2 +ATOM 142 H HG11 . VAL A 1 10 ? -17.607 12.225 -19.807 1.0 75.22 ? 10 A 2 +ATOM 143 H HG12 . VAL A 1 10 ? -19.058 11.323 -20.249 1.0 54.41 ? 10 A 2 +ATOM 144 H HG13 . VAL A 1 10 ? -19.184 13.014 -19.762 1.0 61.31 ? 10 A 2 +ATOM 145 H HG21 . VAL A 1 10 ? -17.407 10.102 -18.518 1.0 13.24 ? 10 A 2 +ATOM 146 H HG22 . VAL A 1 10 ? -16.835 11.371 -17.435 1.0 62.44 ? 10 A 2 +ATOM 147 H HG23 . VAL A 1 10 ? -17.991 10.172 -16.856 1.0 2.35 ? 10 A 2 +ATOM 148 N N . LYS A 1 11 ? -20.71 14.45 -17.767 1.0 23.3 ? 11 A 2 +ATOM 149 C CA . LYS A 1 11 ? -22.071 14.974 -17.765 1.0 10.31 ? 11 A 2 +ATOM 150 C C . LYS A 1 11 ? -22.721 14.804 -19.134 1.0 22.12 ? 11 A 2 +ATOM 151 O O . LYS A 1 11 ? -22.29 15.407 -20.118 1.0 63.21 ? 11 A 2 +ATOM 152 C CB . LYS A 1 11 ? -22.069 16.452 -17.369 1.0 34.41 ? 11 A 2 +ATOM 153 C CG . LYS A 1 11 ? -23.392 17.153 -17.627 1.0 63.11 ? 11 A 2 +ATOM 154 C CD . LYS A 1 11 ? -23.331 18.621 -17.24 1.0 3.15 ? 11 A 2 +ATOM 155 C CE . LYS A 1 11 ? -22.991 19.498 -18.435 1.0 2.52 ? 11 A 2 +ATOM 156 N NZ . LYS A 1 11 ? -23.063 20.947 -18.097 1.0 51.12 ? 11 A 2 +ATOM 157 H H . LYS A 1 11 ? -20.008 14.945 -18.241 1.0 4.15 ? 11 A 2 +ATOM 158 H HA . LYS A 1 11 ? -22.64 14.416 -17.037 1.0 44.21 ? 11 A 2 +ATOM 159 H HB2 . LYS A 1 11 ? -21.844 16.53 -16.316 1.0 75.01 ? 11 A 2 +ATOM 160 H HB3 . LYS A 1 11 ? -21.3 16.963 -17.931 1.0 15.43 ? 11 A 2 +ATOM 161 H HG2 . LYS A 1 11 ? -23.629 17.078 -18.678 1.0 73.24 ? 11 A 2 +ATOM 162 H HG3 . LYS A 1 11 ? -24.165 16.668 -17.047 1.0 30.03 ? 11 A 2 +ATOM 163 H HD2 . LYS A 1 11 ? -24.292 18.921 -16.849 1.0 63.51 ? 11 A 2 +ATOM 164 H HD3 . LYS A 1 11 ? -22.574 18.752 -16.48 1.0 61.22 ? 11 A 2 +ATOM 165 H HE2 . LYS A 1 11 ? -21.99 19.264 -18.764 1.0 70.24 ? 11 A 2 +ATOM 166 H HE3 . LYS A 1 11 ? -23.69 19.288 -19.23 1.0 3.13 ? 11 A 2 +ATOM 167 H HZ1 . LYS A 1 11 ? -22.176 21.421 -18.362 1.0 1.34 ? 11 A 2 +ATOM 168 H HZ2 . LYS A 1 11 ? -23.216 21.068 -17.075 1.0 61.44 ? 11 A 2 +ATOM 169 H HZ3 . LYS A 1 11 ? -23.849 21.395 -18.609 1.0 12.11 ? 11 A 2 +ATOM 170 N N . THR A 1 12 ? -23.764 13.981 -19.191 1.0 60.33 ? 12 A 2 +ATOM 171 C CA . THR A 1 12 ? -24.474 13.732 -20.439 1.0 63.11 ? 12 A 2 +ATOM 172 C C . THR A 1 12 ? -25.344 14.924 -20.823 1.0 63.2 ? 12 A 2 +ATOM 173 O O . THR A 1 12 ? -25.676 15.76 -19.982 1.0 23.14 ? 12 A 2 +ATOM 174 C CB . THR A 1 12 ? -25.359 12.475 -20.341 1.0 13.53 ? 12 A 2 +ATOM 175 O OG1 . THR A 1 12 ? -26.511 12.749 -19.536 1.0 44.22 ? 12 A 2 +ATOM 176 C CG2 . THR A 1 12 ? -24.582 11.312 -19.744 1.0 44.25 ? 12 A 2 +ATOM 177 H H . THR A 1 12 ? -24.06 13.53 -18.373 1.0 50.31 ? 12 A 2 +ATOM 178 H HA . THR A 1 12 ? -23.739 13.57 -21.214 1.0 15.31 ? 12 A 2 +ATOM 179 H HB . THR A 1 12 ? -25.681 12.202 -21.336 1.0 3.11 ? 12 A 2 +ATOM 180 H HG1 . THR A 1 12 ? -27.271 12.285 -19.897 1.0 54.01 ? 12 A 2 +ATOM 181 H HG21 . THR A 1 12 ? -24.23 11.581 -18.76 1.0 54.24 ? 12 A 2 +ATOM 182 H HG22 . THR A 1 12 ? -23.737 11.081 -20.376 1.0 51.32 ? 12 A 2 +ATOM 183 H HG23 . THR A 1 12 ? -25.226 10.448 -19.673 1.0 74.05 ? 12 A 2 +ATOM 184 N N . LEU A 1 13 ? -25.711 14.995 -22.098 1.0 74.21 ? 13 A 2 +ATOM 185 C CA . LEU A 1 13 ? -26.544 16.085 -22.594 1.0 74.52 ? 13 A 2 +ATOM 186 C C . LEU A 1 13 ? -27.877 16.132 -21.854 1.0 25.21 ? 13 A 2 +ATOM 187 O O . LEU A 1 13 ? -28.567 17.152 -21.858 1.0 11.35 ? 13 A 2 +ATOM 188 C CB . LEU A 1 13 ? -26.787 15.925 -24.096 1.0 31.51 ? 13 A 2 +ATOM 189 C CG . LEU A 1 13 ? -27.406 17.128 -24.808 1.0 30.32 ? 13 A 2 +ATOM 190 C CD1 . LEU A 1 13 ? -26.588 17.502 -26.034 1.0 44.31 ? 13 A 2 +ATOM 191 C CD2 . LEU A 1 13 ? -28.848 16.834 -25.196 1.0 64.01 ? 13 A 2 +ATOM 192 H H . LEU A 1 13 ? -25.415 14.3 -22.721 1.0 42.02 ? 13 A 2 +ATOM 193 H HA . LEU A 1 13 ? -26.016 17.011 -22.42 1.0 34.1 ? 13 A 2 +ATOM 194 H HB2 . LEU A 1 13 ? -25.837 15.717 -24.564 1.0 62.11 ? 13 A 2 +ATOM 195 H HB3 . LEU A 1 13 ? -27.447 15.081 -24.235 1.0 43.21 ? 13 A 2 +ATOM 196 H HG . LEU A 1 13 ? -27.407 17.975 -24.136 1.0 45.4 ? 13 A 2 +ATOM 197 H HD11 . LEU A 1 13 ? -25.537 17.448 -25.795 1.0 62.23 ? 13 A 2 +ATOM 198 H HD12 . LEU A 1 13 ? -26.837 18.508 -26.339 1.0 23.44 ? 13 A 2 +ATOM 199 H HD13 . LEU A 1 13 ? -26.811 16.817 -26.838 1.0 25.55 ? 13 A 2 +ATOM 200 H HD21 . LEU A 1 13 ? -28.863 16.15 -26.032 1.0 62.14 ? 13 A 2 +ATOM 201 H HD22 . LEU A 1 13 ? -29.341 17.754 -25.474 1.0 41.34 ? 13 A 2 +ATOM 202 H HD23 . LEU A 1 13 ? -29.363 16.389 -24.357 1.0 51.42 ? 13 A 2 +ATOM 203 N N . THR A 1 14 ? -28.233 15.021 -21.216 1.0 31.41 ? 14 A 2 +ATOM 204 C CA . THR A 1 14 ? -29.482 14.935 -20.471 1.0 30.33 ? 14 A 2 +ATOM 205 C C . THR A 1 14 ? -29.268 15.27 -18.999 1.0 22.13 ? 14 A 2 +ATOM 206 O O . THR A 1 14 ? -30.153 15.061 -18.17 1.0 5.31 ? 14 A 2 +ATOM 207 C CB . THR A 1 14 ? -30.107 13.532 -20.58 1.0 34.54 ? 14 A 2 +ATOM 208 O OG1 . THR A 1 14 ? -29.195 12.549 -20.077 1.0 3.22 ? 14 A 2 +ATOM 209 C CG2 . THR A 1 14 ? -30.462 13.209 -22.024 1.0 34.11 ? 14 A 2 +ATOM 210 H H . THR A 1 14 ? -27.641 14.241 -21.25 1.0 2.31 ? 14 A 2 +ATOM 211 H HA . THR A 1 14 ? -30.174 15.648 -20.895 1.0 25.44 ? 14 A 2 +ATOM 212 H HB . THR A 1 14 ? -31.011 13.509 -19.989 1.0 55.24 ? 14 A 2 +ATOM 213 H HG1 . THR A 1 14 ? -29.683 11.876 -19.596 1.0 24.42 ? 14 A 2 +ATOM 214 H HG21 . THR A 1 14 ? -30.879 12.214 -22.078 1.0 1.02 ? 14 A 2 +ATOM 215 H HG22 . THR A 1 14 ? -29.573 13.26 -22.634 1.0 12.23 ? 14 A 2 +ATOM 216 H HG23 . THR A 1 14 ? -31.188 13.923 -22.384 1.0 12.42 ? 14 A 2 +ATOM 217 N N . GLY A 1 15 ? -28.088 15.793 -18.681 1.0 61.2 ? 15 A 2 +ATOM 218 C CA . GLY A 1 15 ? -27.779 16.149 -17.308 1.0 25.44 ? 15 A 2 +ATOM 219 C C . GLY A 1 15 ? -27.607 14.934 -16.419 1.0 2.34 ? 15 A 2 +ATOM 220 O O . GLY A 1 15 ? -28.309 14.782 -15.419 1.0 24.03 ? 15 A 2 +ATOM 221 H H . GLY A 1 15 ? -27.421 15.938 -19.385 1.0 73.22 ? 15 A 2 +ATOM 222 H HA2 . GLY A 1 15 ? -26.866 16.725 -17.294 1.0 10.15 ? 15 A 2 +ATOM 223 H HA3 . GLY A 1 15 ? -28.583 16.756 -16.917 1.0 23.53 ? 15 A 2 +ATOM 224 N N . LYS A 1 16 ? -26.671 14.064 -16.783 1.0 11.21 ? 16 A 2 +ATOM 225 C CA . LYS A 1 16 ? -26.408 12.855 -16.012 1.0 34.13 ? 16 A 2 +ATOM 226 C C . LYS A 1 16 ? -24.955 12.81 -15.55 1.0 15.24 ? 16 A 2 +ATOM 227 O O . LYS A 1 16 ? -24.035 12.737 -16.365 1.0 50.04 ? 16 A 2 +ATOM 228 C CB . LYS A 1 16 ? -26.727 11.613 -16.847 1.0 31.42 ? 16 A 2 +ATOM 229 C CG . LYS A 1 16 ? -27.314 10.47 -16.037 1.0 73.35 ? 16 A 2 +ATOM 230 C CD . LYS A 1 16 ? -26.226 9.601 -15.428 1.0 50.3 ? 16 A 2 +ATOM 231 C CE . LYS A 1 16 ? -25.458 8.838 -16.497 1.0 52.44 ? 16 A 2 +ATOM 232 N NZ . LYS A 1 16 ? -25.775 7.383 -16.475 1.0 2.53 ? 16 A 2 +ATOM 233 H H . LYS A 1 16 ? -26.143 14.24 -17.591 1.0 52.54 ? 16 A 2 +ATOM 234 H HA . LYS A 1 16 ? -27.049 12.869 -15.144 1.0 34.34 ? 16 A 2 +ATOM 235 H HB2 . LYS A 1 16 ? -27.436 11.883 -17.616 1.0 44.24 ? 16 A 2 +ATOM 236 H HB3 . LYS A 1 16 ? -25.818 11.265 -17.315 1.0 12.13 ? 16 A 2 +ATOM 237 H HG2 . LYS A 1 16 ? -27.921 10.878 -15.243 1.0 3.41 ? 16 A 2 +ATOM 238 H HG3 . LYS A 1 16 ? -27.928 9.86 -16.685 1.0 74.14 ? 16 A 2 +ATOM 239 H HD2 . LYS A 1 16 ? -25.536 10.231 -14.886 1.0 63.23 ? 16 A 2 +ATOM 240 H HD3 . LYS A 1 16 ? -26.68 8.894 -14.749 1.0 14.51 ? 16 A 2 +ATOM 241 H HE2 . LYS A 1 16 ? -25.718 9.24 -17.464 1.0 44.12 ? 16 A 2 +ATOM 242 H HE3 . LYS A 1 16 ? -24.4 8.971 -16.325 1.0 75.31 ? 16 A 2 +ATOM 243 H HZ1 . LYS A 1 16 ? -24.961 6.835 -16.818 1.0 61.55 ? 16 A 2 +ATOM 244 H HZ2 . LYS A 1 16 ? -26.594 7.187 -17.086 1.0 23.15 ? 16 A 2 +ATOM 245 H HZ3 . LYS A 1 16 ? -26.0 7.081 -15.506 1.0 43.23 ? 16 A 2 +ATOM 246 N N . THR A 1 17 ? -24.755 12.851 -14.236 1.0 33.03 ? 17 A 2 +ATOM 247 C CA . THR A 1 17 ? -23.414 12.815 -13.666 1.0 61.21 ? 17 A 2 +ATOM 248 C C . THR A 1 17 ? -22.965 11.381 -13.409 1.0 13.11 ? 17 A 2 +ATOM 249 O O . THR A 1 17 ? -23.588 10.655 -12.633 1.0 32.24 ? 17 A 2 +ATOM 250 C CB . THR A 1 17 ? -23.343 13.607 -12.347 1.0 22.54 ? 17 A 2 +ATOM 251 O OG1 . THR A 1 17 ? -24.664 13.852 -11.851 1.0 24.32 ? 17 A 2 +ATOM 252 C CG2 . THR A 1 17 ? -22.618 14.929 -12.548 1.0 72.42 ? 17 A 2 +ATOM 253 H H . THR A 1 17 ? -25.528 12.909 -13.637 1.0 63.53 ? 17 A 2 +ATOM 254 H HA . THR A 1 17 ? -22.738 13.272 -14.373 1.0 15.15 ? 17 A 2 +ATOM 255 H HB . THR A 1 17 ? -22.797 13.021 -11.621 1.0 61.22 ? 17 A 2 +ATOM 256 H HG1 . THR A 1 17 ? -24.741 13.502 -10.96 1.0 54.0 ? 17 A 2 +ATOM 257 H HG21 . THR A 1 17 ? -22.926 15.369 -13.485 1.0 31.34 ? 17 A 2 +ATOM 258 H HG22 . THR A 1 17 ? -21.552 14.757 -12.565 1.0 12.24 ? 17 A 2 +ATOM 259 H HG23 . THR A 1 17 ? -22.862 15.601 -11.739 1.0 74.01 ? 17 A 2 +ATOM 260 N N . ILE A 1 18 ? -21.88 10.979 -14.063 1.0 21.15 ? 18 A 2 +ATOM 261 C CA . ILE A 1 18 ? -21.347 9.632 -13.903 1.0 42.23 ? 18 A 2 +ATOM 262 C C . ILE A 1 18 ? -19.871 9.667 -13.524 1.0 2.02 ? 18 A 2 +ATOM 263 O O . ILE A 1 18 ? -19.111 10.502 -14.016 1.0 34.24 ? 18 A 2 +ATOM 264 C CB . ILE A 1 18 ? -21.516 8.803 -15.19 1.0 20.13 ? 18 A 2 +ATOM 265 C CG1 . ILE A 1 18 ? -20.74 7.489 -15.082 1.0 0.43 ? 18 A 2 +ATOM 266 C CG2 . ILE A 1 18 ? -21.052 9.602 -16.399 1.0 34.34 ? 18 A 2 +ATOM 267 C CD1 . ILE A 1 18 ? -21.021 6.526 -16.214 1.0 41.12 ? 18 A 2 +ATOM 268 H H . ILE A 1 18 ? -21.428 11.604 -14.667 1.0 72.35 ? 18 A 2 +ATOM 269 H HA . ILE A 1 18 ? -21.9 9.147 -13.111 1.0 33.1 ? 18 A 2 +ATOM 270 H HB . ILE A 1 18 ? -22.566 8.584 -15.315 1.0 55.23 ? 18 A 2 +ATOM 271 H HG12 . ILE A 1 18 ? -19.682 7.702 -15.084 1.0 35.45 ? 18 A 2 +ATOM 272 H HG13 . ILE A 1 18 ? -21.003 7.0 -14.156 1.0 15.51 ? 18 A 2 +ATOM 273 H HG21 . ILE A 1 18 ? -20.067 10.003 -16.209 1.0 31.24 ? 18 A 2 +ATOM 274 H HG22 . ILE A 1 18 ? -21.016 8.956 -17.264 1.0 60.32 ? 18 A 2 +ATOM 275 H HG23 . ILE A 1 18 ? -21.742 10.412 -16.582 1.0 71.44 ? 18 A 2 +ATOM 276 H HD11 . ILE A 1 18 ? -21.531 7.048 -17.012 1.0 32.31 ? 18 A 2 +ATOM 277 H HD12 . ILE A 1 18 ? -20.09 6.125 -16.587 1.0 60.24 ? 18 A 2 +ATOM 278 H HD13 . ILE A 1 18 ? -21.644 5.721 -15.856 1.0 25.35 ? 18 A 2 +ATOM 279 N N . THR A 1 19 ? -19.469 8.751 -12.648 1.0 42.32 ? 19 A 2 +ATOM 280 C CA . THR A 1 19 ? -18.083 8.676 -12.203 1.0 41.24 ? 19 A 2 +ATOM 281 C C . THR A 1 19 ? -17.414 7.4 -12.701 1.0 70.21 ? 19 A 2 +ATOM 282 O O . THR A 1 19 ? -18.003 6.319 -12.651 1.0 44.42 ? 19 A 2 +ATOM 283 C CB . THR A 1 19 ? -17.982 8.729 -10.667 1.0 2.4 ? 19 A 2 +ATOM 284 O OG1 . THR A 1 19 ? -19.156 9.34 -10.12 1.0 22.32 ? 19 A 2 +ATOM 285 C CG2 . THR A 1 19 ? -16.75 9.507 -10.232 1.0 13.14 ? 19 A 2 +ATOM 286 H H . THR A 1 19 ? -20.121 8.113 -12.292 1.0 1.15 ? 19 A 2 +ATOM 287 H HA . THR A 1 19 ? -17.556 9.528 -12.607 1.0 65.43 ? 19 A 2 +ATOM 288 H HB . THR A 1 19 ? -17.903 7.719 -10.291 1.0 44.24 ? 19 A 2 +ATOM 289 H HG1 . THR A 1 19 ? -19.289 9.03 -9.221 1.0 60.25 ? 19 A 2 +ATOM 290 H HG21 . THR A 1 19 ? -16.558 10.301 -10.938 1.0 73.33 ? 19 A 2 +ATOM 291 H HG22 . THR A 1 19 ? -15.898 8.844 -10.197 1.0 23.45 ? 19 A 2 +ATOM 292 H HG23 . THR A 1 19 ? -16.918 9.929 -9.252 1.0 51.03 ? 19 A 2 +ATOM 293 N N . ILE A 1 20 ? -16.182 7.531 -13.181 1.0 2.13 ? 20 A 2 +ATOM 294 C CA . ILE A 1 20 ? -15.433 6.387 -13.686 1.0 23.24 ? 20 A 2 +ATOM 295 C C . ILE A 1 20 ? -13.956 6.495 -13.325 1.0 21.51 ? 20 A 2 +ATOM 296 O O . ILE A 1 20 ? -13.335 7.541 -13.513 1.0 3.54 ? 20 A 2 +ATOM 297 C CB . ILE A 1 20 ? -15.569 6.256 -15.214 1.0 55.55 ? 20 A 2 +ATOM 298 C CG1 . ILE A 1 20 ? -15.619 7.64 -15.864 1.0 1.5 ? 20 A 2 +ATOM 299 C CG2 . ILE A 1 20 ? -16.812 5.454 -15.569 1.0 1.32 ? 20 A 2 +ATOM 300 C CD1 . ILE A 1 20 ? -14.938 7.699 -17.214 1.0 2.4 ? 20 A 2 +ATOM 301 H H . ILE A 1 20 ? -15.766 8.418 -13.194 1.0 32.52 ? 20 A 2 +ATOM 302 H HA . ILE A 1 20 ? -15.84 5.496 -13.23 1.0 40.32 ? 20 A 2 +ATOM 303 H HB . ILE A 1 20 ? -14.708 5.722 -15.586 1.0 75.22 ? 20 A 2 +ATOM 304 H HG12 . ILE A 1 20 ? -16.648 7.931 -16.0 1.0 4.24 ? 20 A 2 +ATOM 305 H HG13 . ILE A 1 20 ? -15.131 8.352 -15.215 1.0 20.02 ? 20 A 2 +ATOM 306 H HG21 . ILE A 1 20 ? -16.658 4.948 -16.511 1.0 41.11 ? 20 A 2 +ATOM 307 H HG22 . ILE A 1 20 ? -17.001 4.723 -14.796 1.0 51.34 ? 20 A 2 +ATOM 308 H HG23 . ILE A 1 20 ? -17.659 6.118 -15.651 1.0 74.34 ? 20 A 2 +ATOM 309 H HD11 . ILE A 1 20 ? -15.155 6.795 -17.766 1.0 44.23 ? 20 A 2 +ATOM 310 H HD12 . ILE A 1 20 ? -15.304 8.552 -17.766 1.0 43.31 ? 20 A 2 +ATOM 311 H HD13 . ILE A 1 20 ? -13.871 7.788 -17.076 1.0 23.14 ? 20 A 2 +ATOM 312 N N . ASP A 1 21 ? -13.398 5.406 -12.809 1.0 44.41 ? 21 A 2 +ATOM 313 C CA . ASP A 1 21 ? -11.991 5.376 -12.424 1.0 13.43 ? 21 A 2 +ATOM 314 C C . ASP A 1 21 ? -11.103 5.106 -13.635 1.0 74.52 ? 21 A 2 +ATOM 315 O O . ASP A 1 21 ? -11.316 4.144 -14.372 1.0 3.25 ? 21 A 2 +ATOM 316 C CB . ASP A 1 21 ? -11.755 4.308 -11.355 1.0 40.32 ? 21 A 2 +ATOM 317 C CG . ASP A 1 21 ? -12.249 2.94 -11.784 1.0 70.32 ? 21 A 2 +ATOM 318 O OD1 . ASP A 1 21 ? -13.475 2.708 -11.728 1.0 34.41 ? 21 A 2 +ATOM 319 O OD2 . ASP A 1 21 ? -11.41 2.101 -12.174 1.0 4.34 ? 21 A 2 +ATOM 320 H H . ASP A 1 21 ? -13.945 4.602 -12.683 1.0 61.24 ? 21 A 2 +ATOM 321 H HA . ASP A 1 21 ? -11.738 6.343 -12.016 1.0 0.1 ? 21 A 2 +ATOM 322 H HB2 . ASP A 1 21 ? -10.696 4.24 -11.151 1.0 73.15 ? 21 A 2 +ATOM 323 H HB3 . ASP A 1 21 ? -12.274 4.592 -10.452 1.0 61.23 ? 21 A 2 +ATOM 324 N N . VAL A 1 22 ? -10.107 5.964 -13.834 1.0 30.34 ? 22 A 2 +ATOM 325 C CA . VAL A 1 22 ? -9.186 5.819 -14.955 1.0 1.34 ? 22 A 2 +ATOM 326 C C . VAL A 1 22 ? -7.747 6.074 -14.521 1.0 61.2 ? 22 A 2 +ATOM 327 O O . VAL A 1 22 ? -7.5 6.647 -13.459 1.0 34.03 ? 22 A 2 +ATOM 328 C CB . VAL A 1 22 ? -9.542 6.782 -16.103 1.0 60.13 ? 22 A 2 +ATOM 329 C CG1 . VAL A 1 22 ? -10.989 7.238 -15.987 1.0 14.0 ? 22 A 2 +ATOM 330 C CG2 . VAL A 1 22 ? -8.597 7.974 -16.11 1.0 61.12 ? 22 A 2 +ATOM 331 H H . VAL A 1 22 ? -9.988 6.711 -13.212 1.0 71.0 ? 22 A 2 +ATOM 332 H HA . VAL A 1 22 ? -9.266 4.807 -15.324 1.0 41.13 ? 22 A 2 +ATOM 333 H HB . VAL A 1 22 ? -9.428 6.253 -17.038 1.0 23.42 ? 22 A 2 +ATOM 334 H HG11 . VAL A 1 22 ? -11.618 6.387 -15.774 1.0 3.13 ? 22 A 2 +ATOM 335 H HG12 . VAL A 1 22 ? -11.076 7.961 -15.19 1.0 11.12 ? 22 A 2 +ATOM 336 H HG13 . VAL A 1 22 ? -11.299 7.689 -16.918 1.0 2.3 ? 22 A 2 +ATOM 337 H HG21 . VAL A 1 22 ? -8.987 8.739 -16.766 1.0 43.3 ? 22 A 2 +ATOM 338 H HG22 . VAL A 1 22 ? -8.509 8.368 -15.109 1.0 71.52 ? 22 A 2 +ATOM 339 H HG23 . VAL A 1 22 ? -7.624 7.661 -16.46 1.0 24.41 ? 22 A 2 +ATOM 340 N N . ASP A 1 23 ? -6.8 5.644 -15.348 1.0 73.14 ? 23 A 2 +ATOM 341 C CA . ASP A 1 23 ? -5.384 5.827 -15.05 1.0 0.33 ? 23 A 2 +ATOM 342 C C . ASP A 1 23 ? -4.695 6.621 -16.156 1.0 62.12 ? 23 A 2 +ATOM 343 O O . ASP A 1 23 ? -5.215 6.74 -17.266 1.0 35.34 ? 23 A 2 +ATOM 344 C CB . ASP A 1 23 ? -4.699 4.471 -14.875 1.0 24.44 ? 23 A 2 +ATOM 345 C CG . ASP A 1 23 ? -3.569 4.52 -13.864 1.0 11.25 ? 23 A 2 +ATOM 346 O OD1 . ASP A 1 23 ? -3.035 5.623 -13.625 1.0 71.52 ? 23 A 2 +ATOM 347 O OD2 . ASP A 1 23 ? -3.219 3.455 -13.313 1.0 54.12 ? 23 A 2 +ATOM 348 H H . ASP A 1 23 ? -7.06 5.194 -16.179 1.0 71.31 ? 23 A 2 +ATOM 349 H HA . ASP A 1 23 ? -5.308 6.381 -14.127 1.0 62.03 ? 23 A 2 +ATOM 350 H HB2 . ASP A 1 23 ? -5.427 3.748 -14.538 1.0 75.32 ? 23 A 2 +ATOM 351 H HB3 . ASP A 1 23 ? -4.295 4.154 -15.825 1.0 32.1 ? 23 A 2 +ATOM 352 N N . HIS A 1 24 ? -3.521 7.162 -15.845 1.0 3.42 ? 24 A 2 +ATOM 353 C CA . HIS A 1 24 ? -2.76 7.945 -16.813 1.0 64.1 ? 24 A 2 +ATOM 354 C C . HIS A 1 24 ? -2.429 7.11 -18.047 1.0 13.22 ? 24 A 2 +ATOM 355 O O . HIS A 1 24 ? -2.085 7.649 -19.098 1.0 40.32 ? 24 A 2 +ATOM 356 C CB . HIS A 1 24 ? -1.472 8.469 -16.177 1.0 43.52 ? 24 A 2 +ATOM 357 C CG . HIS A 1 24 ? -1.255 9.936 -16.386 1.0 63.23 ? 24 A 2 +ATOM 358 N ND1 . HIS A 1 24 ? -0.191 10.444 -17.1 1.0 33.23 ? 24 A 2 +ATOM 359 C CD2 . HIS A 1 24 ? -1.973 11.005 -15.971 1.0 70.35 ? 24 A 2 +ATOM 360 C CE1 . HIS A 1 24 ? -0.263 11.763 -17.114 1.0 52.22 ? 24 A 2 +ATOM 361 N NE2 . HIS A 1 24 ? -1.336 12.129 -16.436 1.0 51.1 ? 24 A 2 +ATOM 362 H H . HIS A 1 24 ? -3.158 7.032 -14.945 1.0 35.01 ? 24 A 2 +ATOM 363 H HA . HIS A 1 24 ? -3.37 8.783 -17.114 1.0 52.33 ? 24 A 2 +ATOM 364 H HB2 . HIS A 1 24 ? -1.505 8.287 -15.113 1.0 74.33 ? 24 A 2 +ATOM 365 H HB3 . HIS A 1 24 ? -0.629 7.943 -16.601 1.0 2.24 ? 24 A 2 +ATOM 366 H HD1 . HIS A 1 24 ? 0.513 9.917 -17.531 1.0 61.24 ? 24 A 2 +ATOM 367 H HD2 . HIS A 1 24 ? -2.88 10.98 -15.382 1.0 14.35 ? 24 A 2 +ATOM 368 H HE1 . HIS A 1 24 ? 0.435 12.43 -17.598 1.0 73.24 ? 24 A 2 +ATOM 369 N N . ALA A 1 25 ? -2.535 5.793 -17.91 1.0 63.43 ? 25 A 2 +ATOM 370 C CA . ALA A 1 25 ? -2.248 4.885 -19.013 1.0 43.32 ? 25 A 2 +ATOM 371 C C . ALA A 1 25 ? -3.505 4.594 -19.826 1.0 33.54 ? 25 A 2 +ATOM 372 O O . ALA A 1 25 ? -3.491 3.762 -20.733 1.0 12.23 ? 25 A 2 +ATOM 373 C CB . ALA A 1 25 ? -1.646 3.59 -18.488 1.0 51.34 ? 25 A 2 +ATOM 374 H H . ALA A 1 25 ? -2.814 5.423 -17.046 1.0 55.41 ? 25 A 2 +ATOM 375 H HA . ALA A 1 25 ? -1.519 5.358 -19.654 1.0 23.12 ? 25 A 2 +ATOM 376 H HB1 . ALA A 1 25 ? -0.692 3.799 -18.025 1.0 42.21 ? 25 A 2 +ATOM 377 H HB2 . ALA A 1 25 ? -2.312 3.152 -17.76 1.0 3.14 ? 25 A 2 +ATOM 378 H HB3 . ALA A 1 25 ? -1.505 2.901 -19.307 1.0 44.44 ? 25 A 2 +ATOM 379 N N . ASP A 1 26 ? -4.591 5.284 -19.494 1.0 53.31 ? 26 A 2 +ATOM 380 C CA . ASP A 1 26 ? -5.857 5.1 -20.194 1.0 71.32 ? 26 A 2 +ATOM 381 C C . ASP A 1 26 ? -6.209 6.337 -21.015 1.0 31.24 ? 26 A 2 +ATOM 382 O O . ASP A 1 26 ? -6.357 7.433 -20.474 1.0 53.43 ? 26 A 2 +ATOM 383 C CB . ASP A 1 26 ? -6.977 4.799 -19.196 1.0 21.1 ? 26 A 2 +ATOM 384 C CG . ASP A 1 26 ? -6.751 3.5 -18.447 1.0 73.54 ? 26 A 2 +ATOM 385 O OD1 . ASP A 1 26 ? -6.078 3.531 -17.396 1.0 73.22 ? 26 A 2 +ATOM 386 O OD2 . ASP A 1 26 ? -7.246 2.452 -18.913 1.0 2.02 ? 26 A 2 +ATOM 387 H H . ASP A 1 26 ? -4.54 5.933 -18.762 1.0 73.33 ? 26 A 2 +ATOM 388 H HA . ASP A 1 26 ? -5.748 4.259 -20.862 1.0 35.3 ? 26 A 2 +ATOM 389 H HB2 . ASP A 1 26 ? -7.034 5.602 -18.476 1.0 71.15 ? 26 A 2 +ATOM 390 H HB3 . ASP A 1 26 ? -7.914 4.729 -19.728 1.0 51.4 ? 26 A 2 +ATOM 391 N N . THR A 1 27 ? -6.342 6.153 -22.325 1.0 11.22 ? 27 A 2 +ATOM 392 C CA . THR A 1 27 ? -6.675 7.254 -23.221 1.0 12.11 ? 27 A 2 +ATOM 393 C C . THR A 1 27 ? -8.175 7.522 -23.229 1.0 24.55 ? 27 A 2 +ATOM 394 O O . THR A 1 27 ? -8.961 6.728 -22.711 1.0 14.34 ? 27 A 2 +ATOM 395 C CB . THR A 1 27 ? -6.207 6.967 -24.66 1.0 24.42 ? 27 A 2 +ATOM 396 O OG1 . THR A 1 27 ? -6.289 5.564 -24.931 1.0 51.41 ? 27 A 2 +ATOM 397 C CG2 . THR A 1 27 ? -4.779 7.447 -24.871 1.0 72.22 ? 27 A 2 +ATOM 398 H H . THR A 1 27 ? -6.213 5.256 -22.696 1.0 1.33 ? 27 A 2 +ATOM 399 H HA . THR A 1 27 ? -6.163 8.137 -22.868 1.0 54.42 ? 27 A 2 +ATOM 400 H HB . THR A 1 27 ? -6.855 7.497 -25.345 1.0 51.23 ? 27 A 2 +ATOM 401 H HG1 . THR A 1 27 ? -5.461 5.142 -24.69 1.0 23.44 ? 27 A 2 +ATOM 402 H HG21 . THR A 1 27 ? -4.464 7.205 -25.875 1.0 20.21 ? 27 A 2 +ATOM 403 H HG22 . THR A 1 27 ? -4.127 6.96 -24.162 1.0 40.31 ? 27 A 2 +ATOM 404 H HG23 . THR A 1 27 ? -4.734 8.516 -24.727 1.0 53.14 ? 27 A 2 +ATOM 405 N N . VAL A 1 28 ? -8.568 8.644 -23.823 1.0 70.04 ? 28 A 2 +ATOM 406 C CA . VAL A 1 28 ? -9.976 9.016 -23.901 1.0 40.12 ? 28 A 2 +ATOM 407 C C . VAL A 1 28 ? -10.809 7.891 -24.504 1.0 43.3 ? 28 A 2 +ATOM 408 O O . VAL A 1 28 ? -11.861 7.532 -23.977 1.0 51.44 ? 28 A 2 +ATOM 409 C CB . VAL A 1 28 ? -10.174 10.293 -24.739 1.0 70.14 ? 28 A 2 +ATOM 410 C CG1 . VAL A 1 28 ? -11.568 10.862 -24.524 1.0 13.41 ? 28 A 2 +ATOM 411 C CG2 . VAL A 1 28 ? -9.109 11.324 -24.398 1.0 73.55 ? 28 A 2 +ATOM 412 H H . VAL A 1 28 ? -7.895 9.237 -24.218 1.0 50.23 ? 28 A 2 +ATOM 413 H HA . VAL A 1 28 ? -10.326 9.212 -22.897 1.0 62.42 ? 28 A 2 +ATOM 414 H HB . VAL A 1 28 ? -10.072 10.033 -25.783 1.0 52.41 ? 28 A 2 +ATOM 415 H HG11 . VAL A 1 28 ? -12.292 10.062 -24.558 1.0 72.32 ? 28 A 2 +ATOM 416 H HG12 . VAL A 1 28 ? -11.613 11.35 -23.562 1.0 75.12 ? 28 A 2 +ATOM 417 H HG13 . VAL A 1 28 ? -11.787 11.578 -25.302 1.0 43.12 ? 28 A 2 +ATOM 418 H HG21 . VAL A 1 28 ? -8.511 10.966 -23.573 1.0 22.23 ? 28 A 2 +ATOM 419 H HG22 . VAL A 1 28 ? -8.477 11.486 -25.258 1.0 21.24 ? 28 A 2 +ATOM 420 H HG23 . VAL A 1 28 ? -9.584 12.254 -24.121 1.0 51.43 ? 28 A 2 +ATOM 421 N N . GLY A 1 29 ? -10.329 7.336 -25.613 1.0 51.02 ? 29 A 2 +ATOM 422 C CA . GLY A 1 29 ? -11.042 6.256 -26.271 1.0 24.21 ? 29 A 2 +ATOM 423 C C . GLY A 1 29 ? -11.509 5.192 -25.297 1.0 62.32 ? 29 A 2 +ATOM 424 O O . GLY A 1 29 ? -12.671 4.787 -25.32 1.0 1.41 ? 29 A 2 +ATOM 425 H H . GLY A 1 29 ? -9.485 7.663 -25.989 1.0 25.44 ? 29 A 2 +ATOM 426 H HA2 . GLY A 1 29 ? -11.901 6.665 -26.781 1.0 33.14 ? 29 A 2 +ATOM 427 H HA3 . GLY A 1 29 ? -10.387 5.799 -26.998 1.0 61.11 ? 29 A 2 +ATOM 428 N N . ALA A 1 30 ? -10.601 4.738 -24.439 1.0 0.3 ? 30 A 2 +ATOM 429 C CA . ALA A 1 30 ? -10.926 3.715 -23.453 1.0 24.42 ? 30 A 2 +ATOM 430 C C . ALA A 1 30 ? -11.993 4.209 -22.482 1.0 23.15 ? 30 A 2 +ATOM 431 O O . ALA A 1 30 ? -12.853 3.443 -22.047 1.0 23.32 ? 30 A 2 +ATOM 432 C CB . ALA A 1 30 ? -9.675 3.294 -22.697 1.0 4.23 ? 30 A 2 +ATOM 433 H H . ALA A 1 30 ? -9.691 5.1 -24.47 1.0 13.0 ? 30 A 2 +ATOM 434 H HA . ALA A 1 30 ? -11.306 2.852 -23.981 1.0 42.35 ? 30 A 2 +ATOM 435 H HB1 . ALA A 1 30 ? -9.954 2.675 -21.856 1.0 24.3 ? 30 A 2 +ATOM 436 H HB2 . ALA A 1 30 ? -9.028 2.735 -23.356 1.0 15.25 ? 30 A 2 +ATOM 437 H HB3 . ALA A 1 30 ? -9.157 4.172 -22.342 1.0 54.13 ? 30 A 2 +ATOM 438 N N . VAL A 1 31 ? -11.93 5.493 -22.144 1.0 44.02 ? 31 A 2 +ATOM 439 C CA . VAL A 1 31 ? -12.891 6.089 -21.223 1.0 44.43 ? 31 A 2 +ATOM 440 C C . VAL A 1 31 ? -14.295 6.084 -21.816 1.0 22.33 ? 31 A 2 +ATOM 441 O O . VAL A 1 31 ? -15.264 5.729 -21.144 1.0 41.34 ? 31 A 2 +ATOM 442 C CB . VAL A 1 31 ? -12.502 7.536 -20.865 1.0 42.01 ? 31 A 2 +ATOM 443 C CG1 . VAL A 1 31 ? -13.589 8.189 -20.026 1.0 61.22 ? 31 A 2 +ATOM 444 C CG2 . VAL A 1 31 ? -11.166 7.563 -20.138 1.0 34.2 ? 31 A 2 +ATOM 445 H H . VAL A 1 31 ? -11.221 6.053 -22.524 1.0 33.11 ? 31 A 2 +ATOM 446 H HA . VAL A 1 31 ? -12.891 5.504 -20.316 1.0 53.53 ? 31 A 2 +ATOM 447 H HB . VAL A 1 31 ? -12.4 8.097 -21.783 1.0 34.14 ? 31 A 2 +ATOM 448 H HG11 . VAL A 1 31 ? -14.306 7.441 -19.721 1.0 24.43 ? 31 A 2 +ATOM 449 H HG12 . VAL A 1 31 ? -13.145 8.642 -19.151 1.0 62.24 ? 31 A 2 +ATOM 450 H HG13 . VAL A 1 31 ? -14.088 8.948 -20.61 1.0 4.44 ? 31 A 2 +ATOM 451 H HG21 . VAL A 1 31 ? -10.977 6.597 -19.695 1.0 32.4 ? 31 A 2 +ATOM 452 H HG22 . VAL A 1 31 ? -10.379 7.798 -20.84 1.0 31.51 ? 31 A 2 +ATOM 453 H HG23 . VAL A 1 31 ? -11.192 8.316 -19.363 1.0 2.41 ? 31 A 2 +ATOM 454 N N . LYS A 1 32 ? -14.4 6.481 -23.08 1.0 44.33 ? 32 A 2 +ATOM 455 C CA . LYS A 1 32 ? -15.686 6.521 -23.766 1.0 33.41 ? 32 A 2 +ATOM 456 C C . LYS A 1 32 ? -16.367 5.157 -23.725 1.0 33.52 ? 32 A 2 +ATOM 457 O O . LYS A 1 32 ? -17.57 5.06 -23.485 1.0 55.22 ? 32 A 2 +ATOM 458 C CB . LYS A 1 32 ? -15.499 6.966 -25.218 1.0 21.43 ? 32 A 2 +ATOM 459 C CG . LYS A 1 32 ? -16.17 8.291 -25.539 1.0 62.04 ? 32 A 2 +ATOM 460 C CD . LYS A 1 32 ? -15.159 9.422 -25.625 1.0 13.3 ? 32 A 2 +ATOM 461 C CE . LYS A 1 32 ? -14.915 9.842 -27.066 1.0 61.02 ? 32 A 2 +ATOM 462 N NZ . LYS A 1 32 ? -16.108 10.508 -27.659 1.0 10.13 ? 32 A 2 +ATOM 463 H H . LYS A 1 32 ? -13.591 6.753 -23.564 1.0 0.43 ? 32 A 2 +ATOM 464 H HA . LYS A 1 32 ? -16.312 7.238 -23.256 1.0 20.21 ? 32 A 2 +ATOM 465 H HB2 . LYS A 1 32 ? -14.442 7.064 -25.418 1.0 31.13 ? 32 A 2 +ATOM 466 H HB3 . LYS A 1 32 ? -15.912 6.21 -25.87 1.0 51.43 ? 32 A 2 +ATOM 467 H HG2 . LYS A 1 32 ? -16.68 8.205 -26.487 1.0 34.55 ? 32 A 2 +ATOM 468 H HG3 . LYS A 1 32 ? -16.886 8.518 -24.762 1.0 75.31 ? 32 A 2 +ATOM 469 H HD2 . LYS A 1 32 ? -15.534 10.271 -25.073 1.0 62.53 ? 32 A 2 +ATOM 470 H HD3 . LYS A 1 32 ? -14.225 9.092 -25.192 1.0 34.24 ? 32 A 2 +ATOM 471 H HE2 . LYS A 1 32 ? -14.082 10.527 -27.092 1.0 32.35 ? 32 A 2 +ATOM 472 H HE3 . LYS A 1 32 ? -14.677 8.964 -27.648 1.0 31.14 ? 32 A 2 +ATOM 473 H HZ1 . LYS A 1 32 ? -15.845 11.439 -28.041 1.0 3.34 ? 32 A 2 +ATOM 474 H HZ2 . LYS A 1 32 ? -16.842 10.638 -26.934 1.0 11.13 ? 32 A 2 +ATOM 475 H HZ3 . LYS A 1 32 ? -16.496 9.927 -28.429 1.0 13.55 ? 32 A 2 +ATOM 476 N N . ALA A 1 33 ? -15.589 4.105 -23.96 1.0 34.21 ? 33 A 2 +ATOM 477 C CA . ALA A 1 33 ? -16.117 2.746 -23.947 1.0 60.31 ? 33 A 2 +ATOM 478 C C . ALA A 1 33 ? -16.633 2.371 -22.562 1.0 31.03 ? 33 A 2 +ATOM 479 O O . ALA A 1 33 ? -17.661 1.707 -22.429 1.0 31.32 ? 33 A 2 +ATOM 480 C CB . ALA A 1 33 ? -15.05 1.761 -24.4 1.0 54.24 ? 33 A 2 +ATOM 481 H H . ALA A 1 33 ? -14.638 4.246 -24.146 1.0 43.1 ? 33 A 2 +ATOM 482 H HA . ALA A 1 33 ? -16.937 2.7 -24.65 1.0 53.01 ? 33 A 2 +ATOM 483 H HB1 . ALA A 1 33 ? -14.146 1.925 -23.832 1.0 2.33 ? 33 A 2 +ATOM 484 H HB2 . ALA A 1 33 ? -15.4 0.752 -24.238 1.0 61.23 ? 33 A 2 +ATOM 485 H HB3 . ALA A 1 33 ? -14.847 1.908 -25.45 1.0 53.23 ? 33 A 2 +ATOM 486 N N . LYS A 1 34 ? -15.912 2.8 -21.531 1.0 30.14 ? 34 A 2 +ATOM 487 C CA . LYS A 1 34 ? -16.296 2.51 -20.155 1.0 3.41 ? 34 A 2 +ATOM 488 C C . LYS A 1 34 ? -17.675 3.083 -19.843 1.0 51.04 ? 34 A 2 +ATOM 489 O O . LYS A 1 34 ? -18.501 2.425 -19.21 1.0 30.3 ? 34 A 2 +ATOM 490 C CB . LYS A 1 34 ? -15.262 3.084 -19.184 1.0 63.02 ? 34 A 2 +ATOM 491 C CG . LYS A 1 34 ? -15.529 2.729 -17.731 1.0 24.43 ? 34 A 2 +ATOM 492 C CD . LYS A 1 34 ? -15.352 1.241 -17.479 1.0 44.42 ? 34 A 2 +ATOM 493 C CE . LYS A 1 34 ? -13.887 0.836 -17.539 1.0 34.12 ? 34 A 2 +ATOM 494 N NZ . LYS A 1 34 ? -13.662 -0.52 -16.967 1.0 13.0 ? 34 A 2 +ATOM 495 H H . LYS A 1 34 ? -15.101 3.325 -21.701 1.0 65.25 ? 34 A 2 +ATOM 496 H HA . LYS A 1 34 ? -16.33 1.437 -20.039 1.0 3.22 ? 34 A 2 +ATOM 497 H HB2 . LYS A 1 34 ? -14.286 2.706 -19.451 1.0 71.03 ? 34 A 2 +ATOM 498 H HB3 . LYS A 1 34 ? -15.259 4.16 -19.275 1.0 71.12 ? 34 A 2 +ATOM 499 H HG2 . LYS A 1 34 ? -14.84 3.274 -17.104 1.0 24.23 ? 34 A 2 +ATOM 500 H HG3 . LYS A 1 34 ? -16.543 3.008 -17.483 1.0 22.21 ? 34 A 2 +ATOM 501 H HD2 . LYS A 1 34 ? -15.739 1.002 -16.5 1.0 63.43 ? 34 A 2 +ATOM 502 H HD3 . LYS A 1 34 ? -15.9 0.689 -18.23 1.0 75.33 ? 34 A 2 +ATOM 503 H HE2 . LYS A 1 34 ? -13.568 0.84 -18.57 1.0 34.14 ? 34 A 2 +ATOM 504 H HE3 . LYS A 1 34 ? -13.305 1.554 -16.98 1.0 0.12 ? 34 A 2 +ATOM 505 H HZ1 . LYS A 1 34 ? -13.236 -1.144 -17.682 1.0 62.42 ? 34 A 2 +ATOM 506 H HZ2 . LYS A 1 34 ? -14.566 -0.932 -16.659 1.0 14.2 ? 34 A 2 +ATOM 507 H HZ3 . LYS A 1 34 ? -13.024 -0.462 -16.148 1.0 65.2 ? 34 A 2 +ATOM 508 N N . ILE A 1 35 ? -17.916 4.31 -20.291 1.0 14.42 ? 35 A 2 +ATOM 509 C CA . ILE A 1 35 ? -19.196 4.969 -20.062 1.0 22.32 ? 35 A 2 +ATOM 510 C C . ILE A 1 35 ? -20.314 4.285 -20.841 1.0 74.31 ? 35 A 2 +ATOM 511 O O . ILE A 1 35 ? -21.449 4.199 -20.372 1.0 33.23 ? 35 A 2 +ATOM 512 C CB . ILE A 1 35 ? -19.143 6.456 -20.46 1.0 42.5 ? 35 A 2 +ATOM 513 C CG1 . ILE A 1 35 ? -17.971 7.151 -19.764 1.0 22.04 ? 35 A 2 +ATOM 514 C CG2 . ILE A 1 35 ? -20.455 7.143 -20.114 1.0 45.14 ? 35 A 2 +ATOM 515 C CD1 . ILE A 1 35 ? -18.034 7.077 -18.254 1.0 11.1 ? 35 A 2 +ATOM 516 H H . ILE A 1 35 ? -17.217 4.783 -20.79 1.0 54.44 ? 35 A 2 +ATOM 517 H HA . ILE A 1 35 ? -19.417 4.907 -19.006 1.0 30.01 ? 35 A 2 +ATOM 518 H HB . ILE A 1 35 ? -19.004 6.514 -21.528 1.0 2.44 ? 35 A 2 +ATOM 519 H HG12 . ILE A 1 35 ? -17.048 6.69 -20.079 1.0 3.24 ? 35 A 2 +ATOM 520 H HG13 . ILE A 1 35 ? -17.962 8.194 -20.046 1.0 0.11 ? 35 A 2 +ATOM 521 H HG21 . ILE A 1 35 ? -21.164 6.409 -19.76 1.0 65.32 ? 35 A 2 +ATOM 522 H HG22 . ILE A 1 35 ? -20.283 7.878 -19.342 1.0 43.1 ? 35 A 2 +ATOM 523 H HG23 . ILE A 1 35 ? -20.849 7.63 -20.993 1.0 75.41 ? 35 A 2 +ATOM 524 H HD11 . ILE A 1 35 ? -17.443 7.876 -17.83 1.0 43.52 ? 35 A 2 +ATOM 525 H HD12 . ILE A 1 35 ? -19.06 7.179 -17.931 1.0 71.15 ? 35 A 2 +ATOM 526 H HD13 . ILE A 1 35 ? -17.644 6.127 -17.923 1.0 74.3 ? 35 A 2 +ATOM 527 N N . TYR A 1 36 ? -19.985 3.798 -22.032 1.0 62.53 ? 36 A 2 +ATOM 528 C CA . TYR A 1 36 ? -20.962 3.122 -22.878 1.0 64.44 ? 36 A 2 +ATOM 529 C C . TYR A 1 36 ? -21.59 1.94 -22.146 1.0 53.42 ? 36 A 2 +ATOM 530 O O . TYR A 1 36 ? -22.807 1.756 -22.171 1.0 34.33 ? 36 A 2 +ATOM 531 C CB . TYR A 1 36 ? -20.302 2.643 -24.172 1.0 74.42 ? 36 A 2 +ATOM 532 C CG . TYR A 1 36 ? -20.678 1.23 -24.556 1.0 43.51 ? 36 A 2 +ATOM 533 C CD1 . TYR A 1 36 ? -21.949 0.932 -25.032 1.0 62.31 ? 36 A 2 +ATOM 534 C CD2 . TYR A 1 36 ? -19.761 0.191 -24.443 1.0 22.21 ? 36 A 2 +ATOM 535 C CE1 . TYR A 1 36 ? -22.296 -0.358 -25.384 1.0 25.24 ? 36 A 2 +ATOM 536 C CE2 . TYR A 1 36 ? -20.1 -1.101 -24.793 1.0 24.41 ? 36 A 2 +ATOM 537 C CZ . TYR A 1 36 ? -21.369 -1.371 -25.262 1.0 51.0 ? 36 A 2 +ATOM 538 O OH . TYR A 1 36 ? -21.71 -2.657 -25.612 1.0 31.41 ? 36 A 2 +ATOM 539 H H . TYR A 1 36 ? -19.064 3.898 -22.352 1.0 42.53 ? 36 A 2 +ATOM 540 H HA . TYR A 1 36 ? -21.738 3.833 -23.122 1.0 45.34 ? 36 A 2 +ATOM 541 H HB2 . TYR A 1 36 ? -20.596 3.295 -24.98 1.0 32.41 ? 36 A 2 +ATOM 542 H HB3 . TYR A 1 36 ? -19.229 2.682 -24.057 1.0 73.31 ? 36 A 2 +ATOM 543 H HD1 . TYR A 1 36 ? -22.673 1.729 -25.127 1.0 14.41 ? 36 A 2 +ATOM 544 H HD2 . TYR A 1 36 ? -18.768 0.406 -24.075 1.0 73.43 ? 36 A 2 +ATOM 545 H HE1 . TYR A 1 36 ? -23.29 -0.569 -25.751 1.0 30.0 ? 36 A 2 +ATOM 546 H HE2 . TYR A 1 36 ? -19.374 -1.895 -24.698 1.0 11.1 ? 36 A 2 +ATOM 547 H HH . TYR A 1 36 ? -21.252 -2.901 -26.42 1.0 20.21 ? 36 A 2 +ATOM 548 N N . ASP A 1 37 ? -20.751 1.142 -21.495 1.0 31.31 ? 37 A 2 +ATOM 549 C CA . ASP A 1 37 ? -21.222 -0.022 -20.754 1.0 4.3 ? 37 A 2 +ATOM 550 C C . ASP A 1 37 ? -21.886 0.399 -19.446 1.0 30.32 ? 37 A 2 +ATOM 551 O O . ASP A 1 37 ? -22.812 -0.257 -18.968 1.0 62.0 ? 37 A 2 +ATOM 552 C CB . ASP A 1 37 ? -20.06 -0.975 -20.467 1.0 35.43 ? 37 A 2 +ATOM 553 C CG . ASP A 1 37 ? -20.407 -2.419 -20.772 1.0 34.32 ? 37 A 2 +ATOM 554 O OD1 . ASP A 1 37 ? -21.364 -2.941 -20.163 1.0 31.12 ? 37 A 2 +ATOM 555 O OD2 . ASP A 1 37 ? -19.722 -3.026 -21.622 1.0 3.2 ? 37 A 2 +ATOM 556 H H . ASP A 1 37 ? -19.791 1.342 -21.512 1.0 51.42 ? 37 A 2 +ATOM 557 H HA . ASP A 1 37 ? -21.951 -0.532 -21.365 1.0 32.24 ? 37 A 2 +ATOM 558 H HB2 . ASP A 1 37 ? -19.212 -0.692 -21.074 1.0 43.14 ? 37 A 2 +ATOM 559 H HB3 . ASP A 1 37 ? -19.792 -0.901 -19.423 1.0 34.23 ? 37 A 2 +ATOM 560 N N . LYS A 1 38 ? -21.406 1.496 -18.871 1.0 33.03 ? 38 A 2 +ATOM 561 C CA . LYS A 1 38 ? -21.952 2.005 -17.619 1.0 33.5 ? 38 A 2 +ATOM 562 C C . LYS A 1 38 ? -23.457 2.228 -17.732 1.0 62.1 ? 38 A 2 +ATOM 563 O O . LYS A 1 38 ? -24.219 1.831 -16.852 1.0 13.24 ? 38 A 2 +ATOM 564 C CB . LYS A 1 38 ? -21.26 3.314 -17.232 1.0 32.13 ? 38 A 2 +ATOM 565 C CG . LYS A 1 38 ? -20.428 3.211 -15.965 1.0 11.13 ? 38 A 2 +ATOM 566 C CD . LYS A 1 38 ? -18.959 2.98 -16.28 1.0 55.11 ? 38 A 2 +ATOM 567 C CE . LYS A 1 38 ? -18.649 1.5 -16.442 1.0 12.13 ? 38 A 2 +ATOM 568 N NZ . LYS A 1 38 ? -18.084 0.912 -15.197 1.0 62.42 ? 38 A 2 +ATOM 569 H H . LYS A 1 38 ? -20.666 1.976 -19.3 1.0 40.1 ? 38 A 2 +ATOM 570 H HA . LYS A 1 38 ? -21.766 1.269 -16.852 1.0 13.43 ? 38 A 2 +ATOM 571 H HB2 . LYS A 1 38 ? -20.611 3.617 -18.04 1.0 53.44 ? 38 A 2 +ATOM 572 H HB3 . LYS A 1 38 ? -22.012 4.075 -17.081 1.0 74.35 ? 38 A 2 +ATOM 573 H HG2 . LYS A 1 38 ? -20.525 4.129 -15.405 1.0 72.35 ? 38 A 2 +ATOM 574 H HG3 . LYS A 1 38 ? -20.793 2.384 -15.372 1.0 65.33 ? 38 A 2 +ATOM 575 H HD2 . LYS A 1 38 ? -18.712 3.491 -17.199 1.0 31.44 ? 38 A 2 +ATOM 576 H HD3 . LYS A 1 38 ? -18.36 3.378 -15.473 1.0 51.13 ? 38 A 2 +ATOM 577 H HE2 . LYS A 1 38 ? -19.561 0.98 -16.694 1.0 72.24 ? 38 A 2 +ATOM 578 H HE3 . LYS A 1 38 ? -17.934 1.381 -17.243 1.0 52.14 ? 38 A 2 +ATOM 579 H HZ1 . LYS A 1 38 ? -17.816 -0.08 -15.359 1.0 12.21 ? 38 A 2 +ATOM 580 H HZ2 . LYS A 1 38 ? -18.789 0.949 -14.432 1.0 31.3 ? 38 A 2 +ATOM 581 H HZ3 . LYS A 1 38 ? -17.241 1.443 -14.901 1.0 72.13 ? 38 A 2 +ATOM 582 N N . GLU A 1 39 ? -23.876 2.864 -18.822 1.0 74.33 ? 39 A 2 +ATOM 583 C CA . GLU A 1 39 ? -25.29 3.138 -19.049 1.0 31.43 ? 39 A 2 +ATOM 584 C C . GLU A 1 39 ? -25.827 2.301 -20.206 1.0 55.55 ? 39 A 2 +ATOM 585 O O . GLU A 1 39 ? -26.813 1.579 -20.06 1.0 44.25 ? 39 A 2 +ATOM 586 C CB . GLU A 1 39 ? -25.504 4.625 -19.338 1.0 31.12 ? 39 A 2 +ATOM 587 C CG . GLU A 1 39 ? -24.358 5.268 -20.1 1.0 22.34 ? 39 A 2 +ATOM 588 C CD . GLU A 1 39 ? -24.532 6.766 -20.261 1.0 34.02 ? 39 A 2 +ATOM 589 O OE1 . GLU A 1 39 ? -25.658 7.202 -20.577 1.0 60.52 ? 39 A 2 +ATOM 590 O OE2 . GLU A 1 39 ? -23.541 7.502 -20.07 1.0 24.54 ? 39 A 2 +ATOM 591 H H . GLU A 1 39 ? -23.219 3.156 -19.488 1.0 53.12 ? 39 A 2 +ATOM 592 H HA . GLU A 1 39 ? -25.827 2.874 -18.15 1.0 24.23 ? 39 A 2 +ATOM 593 H HB2 . GLU A 1 39 ? -26.406 4.74 -19.921 1.0 13.32 ? 39 A 2 +ATOM 594 H HB3 . GLU A 1 39 ? -25.624 5.148 -18.4 1.0 53.15 ? 39 A 2 +ATOM 595 H HG2 . GLU A 1 39 ? -23.438 5.084 -19.564 1.0 73.51 ? 39 A 2 +ATOM 596 H HG3 . GLU A 1 39 ? -24.297 4.82 -21.08 1.0 55.55 ? 39 A 2 +ATOM 597 N N . GLY A 1 40 ? -25.172 2.405 -21.358 1.0 41.31 ? 40 A 2 +ATOM 598 C CA . GLY A 1 40 ? -25.598 1.653 -22.525 1.0 23.2 ? 40 A 2 +ATOM 599 C C . GLY A 1 40 ? -25.921 2.548 -23.705 1.0 54.31 ? 40 A 2 +ATOM 600 O O . GLY A 1 40 ? -26.988 2.43 -24.307 1.0 62.35 ? 40 A 2 +ATOM 601 H H . GLY A 1 40 ? -24.392 2.996 -21.417 1.0 1.31 ? 40 A 2 +ATOM 602 H HA2 . GLY A 1 40 ? -24.809 0.972 -22.808 1.0 42.33 ? 40 A 2 +ATOM 603 H HA3 . GLY A 1 40 ? -26.478 1.082 -22.269 1.0 42.25 ? 40 A 2 +ATOM 604 N N . ILE A 1 41 ? -24.999 3.446 -24.034 1.0 11.45 ? 41 A 2 +ATOM 605 C CA . ILE A 1 41 ? -25.192 4.365 -25.149 1.0 13.21 ? 41 A 2 +ATOM 606 C C . ILE A 1 41 ? -24.006 4.323 -26.107 1.0 73.14 ? 41 A 2 +ATOM 607 O O . ILE A 1 41 ? -22.905 3.901 -25.754 1.0 54.03 ? 41 A 2 +ATOM 608 C CB . ILE A 1 41 ? -25.391 5.811 -24.659 1.0 13.54 ? 41 A 2 +ATOM 609 C CG1 . ILE A 1 41 ? -24.516 6.082 -23.433 1.0 35.25 ? 41 A 2 +ATOM 610 C CG2 . ILE A 1 41 ? -26.856 6.065 -24.337 1.0 15.54 ? 41 A 2 +ATOM 611 C CD1 . ILE A 1 41 ? -23.984 7.497 -23.371 1.0 51.21 ? 41 A 2 +ATOM 612 H H . ILE A 1 41 ? -24.169 3.492 -23.515 1.0 10.31 ? 41 A 2 +ATOM 613 H HA . ILE A 1 41 ? -26.082 4.061 -25.681 1.0 22.4 ? 41 A 2 +ATOM 614 H HB . ILE A 1 41 ? -25.1 6.48 -25.454 1.0 2.22 ? 41 A 2 +ATOM 615 H HG12 . ILE A 1 41 ? -25.094 5.907 -22.54 1.0 53.25 ? 41 A 2 +ATOM 616 H HG13 . ILE A 1 41 ? -23.671 5.409 -23.448 1.0 73.21 ? 41 A 2 +ATOM 617 H HG21 . ILE A 1 41 ? -27.049 7.128 -24.354 1.0 41.34 ? 41 A 2 +ATOM 618 H HG22 . ILE A 1 41 ? -27.475 5.576 -25.074 1.0 35.01 ? 41 A 2 +ATOM 619 H HG23 . ILE A 1 41 ? -27.083 5.673 -23.357 1.0 24.24 ? 41 A 2 +ATOM 620 H HD11 . ILE A 1 41 ? -24.734 8.145 -22.941 1.0 13.35 ? 41 A 2 +ATOM 621 H HD12 . ILE A 1 41 ? -23.095 7.521 -22.758 1.0 5.02 ? 41 A 2 +ATOM 622 H HD13 . ILE A 1 41 ? -23.744 7.836 -24.368 1.0 73.01 ? 41 A 2 +ATOM 623 N N . PRO A 1 42 ? -24.235 4.772 -27.351 1.0 42.01 ? 42 A 2 +ATOM 624 C CA . PRO A 1 42 ? -23.197 4.799 -28.385 1.0 63.34 ? 42 A 2 +ATOM 625 C C . PRO A 1 42 ? -22.121 5.841 -28.101 1.0 4.23 ? 42 A 2 +ATOM 626 O O . PRO A 1 42 ? -22.367 7.047 -28.132 1.0 21.54 ? 42 A 2 +ATOM 627 C CB . PRO A 1 42 ? -23.971 5.162 -29.655 1.0 63.45 ? 42 A 2 +ATOM 628 C CG . PRO A 1 42 ? -25.17 5.901 -29.169 1.0 31.23 ? 42 A 2 +ATOM 629 C CD . PRO A 1 42 ? -25.523 5.29 -27.841 1.0 52.22 ? 42 A 2 +ATOM 630 H HA . PRO A 1 42 ? -22.734 3.83 -28.509 1.0 60.32 ? 42 A 2 +ATOM 631 H HB2 . PRO A 1 42 ? -23.354 5.783 -30.29 1.0 50.23 ? 42 A 2 +ATOM 632 H HB3 . PRO A 1 42 ? -24.249 4.262 -30.182 1.0 64.01 ? 42 A 2 +ATOM 633 H HG2 . PRO A 1 42 ? -24.933 6.947 -29.049 1.0 0.11 ? 42 A 2 +ATOM 634 H HG3 . PRO A 1 42 ? -25.985 5.777 -29.867 1.0 1.1 ? 42 A 2 +ATOM 635 H HD2 . PRO A 1 42 ? -25.917 6.041 -27.173 1.0 11.32 ? 42 A 2 +ATOM 636 H HD3 . PRO A 1 42 ? -26.235 4.488 -27.972 1.0 34.03 ? 42 A 2 +ATOM 637 N N . PRO A 1 43 ? -20.898 5.368 -27.816 1.0 1.41 ? 43 A 2 +ATOM 638 C CA . PRO A 1 43 ? -19.76 6.244 -27.522 1.0 62.53 ? 43 A 2 +ATOM 639 C C . PRO A 1 43 ? -19.284 7.01 -28.751 1.0 21.35 ? 43 A 2 +ATOM 640 O O . PRO A 1 43 ? -18.796 8.135 -28.642 1.0 73.42 ? 43 A 2 +ATOM 641 C CB . PRO A 1 43 ? -18.678 5.271 -27.047 1.0 74.43 ? 43 A 2 +ATOM 642 C CG . PRO A 1 43 ? -19.031 3.971 -27.684 1.0 42.11 ? 43 A 2 +ATOM 643 C CD . PRO A 1 43 ? -20.533 3.943 -27.761 1.0 32.53 ? 43 A 2 +ATOM 644 H HA . PRO A 1 43 ? -19.991 6.942 -26.73 1.0 3.1 ? 43 A 2 +ATOM 645 H HB2 . PRO A 1 43 ? -17.708 5.62 -27.373 1.0 1.2 ? 43 A 2 +ATOM 646 H HB3 . PRO A 1 43 ? -18.698 5.201 -25.97 1.0 52.2 ? 43 A 2 +ATOM 647 H HG2 . PRO A 1 43 ? -18.603 3.918 -28.673 1.0 21.5 ? 43 A 2 +ATOM 648 H HG3 . PRO A 1 43 ? -18.673 3.155 -27.074 1.0 41.32 ? 43 A 2 +ATOM 649 H HD2 . PRO A 1 43 ? -20.855 3.428 -28.654 1.0 55.24 ? 43 A 2 +ATOM 650 H HD3 . PRO A 1 43 ? -20.948 3.473 -26.882 1.0 31.14 ? 43 A 2 +ATOM 651 N N . ASP A 1 44 ? -19.431 6.395 -29.919 1.0 54.12 ? 44 A 2 +ATOM 652 C CA . ASP A 1 44 ? -19.017 7.021 -31.17 1.0 51.34 ? 44 A 2 +ATOM 653 C C . ASP A 1 44 ? -19.978 8.14 -31.561 1.0 65.34 ? 44 A 2 +ATOM 654 O O . ASP A 1 44 ? -19.655 8.983 -32.397 1.0 41.23 ? 44 A 2 +ATOM 655 C CB . ASP A 1 44 ? -18.947 5.979 -32.287 1.0 23.35 ? 44 A 2 +ATOM 656 C CG . ASP A 1 44 ? -18.062 6.421 -33.436 1.0 52.14 ? 44 A 2 +ATOM 657 O OD1 . ASP A 1 44 ? -16.84 6.173 -33.372 1.0 70.43 ? 44 A 2 +ATOM 658 O OD2 . ASP A 1 44 ? -18.591 7.015 -34.399 1.0 15.14 ? 44 A 2 +ATOM 659 H H . ASP A 1 44 ? -19.827 5.498 -29.941 1.0 64.31 ? 44 A 2 +ATOM 660 H HA . ASP A 1 44 ? -18.035 7.442 -31.021 1.0 72.42 ? 44 A 2 +ATOM 661 H HB2 . ASP A 1 44 ? -18.551 5.057 -31.887 1.0 64.21 ? 44 A 2 +ATOM 662 H HB3 . ASP A 1 44 ? -19.941 5.802 -32.67 1.0 74.33 ? 44 A 2 +ATOM 663 N N . GLN A 1 45 ? -21.159 8.139 -30.951 1.0 24.51 ? 45 A 2 +ATOM 664 C CA . GLN A 1 45 ? -22.166 9.154 -31.237 1.0 55.1 ? 45 A 2 +ATOM 665 C C . GLN A 1 45 ? -22.061 10.317 -30.257 1.0 65.33 ? 45 A 2 +ATOM 666 O O . GLN A 1 45 ? -22.663 11.37 -30.463 1.0 0.12 ? 45 A 2 +ATOM 667 C CB . GLN A 1 45 ? -23.567 8.543 -31.174 1.0 3.33 ? 45 A 2 +ATOM 668 C CG . GLN A 1 45 ? -24.028 7.939 -32.491 1.0 71.05 ? 45 A 2 +ATOM 669 C CD . GLN A 1 45 ? -25.001 6.793 -32.298 1.0 50.21 ? 45 A 2 +ATOM 670 O OE1 . GLN A 1 45 ? -26.134 6.993 -31.857 1.0 30.33 ? 45 A 2 +ATOM 671 N NE2 . GLN A 1 45 ? -24.565 5.583 -32.628 1.0 54.11 ? 45 A 2 +ATOM 672 H H . GLN A 1 45 ? -21.357 7.441 -30.294 1.0 33.14 ? 45 A 2 +ATOM 673 H HA . GLN A 1 45 ? -21.989 9.523 -32.236 1.0 54.13 ? 45 A 2 +ATOM 674 H HB2 . GLN A 1 45 ? -23.575 7.767 -30.424 1.0 72.22 ? 45 A 2 +ATOM 675 H HB3 . GLN A 1 45 ? -24.27 9.313 -30.891 1.0 51.24 ? 45 A 2 +ATOM 676 H HG2 . GLN A 1 45 ? -24.511 8.707 -33.075 1.0 11.31 ? 45 A 2 +ATOM 677 H HG3 . GLN A 1 45 ? -23.164 7.572 -33.025 1.0 33.23 ? 45 A 2 +ATOM 678 H HE21 . GLN A 1 45 ? -23.651 5.499 -32.972 1.0 35.4 ? 45 A 2 +ATOM 679 H HE22 . GLN A 1 45 ? -25.173 4.824 -32.513 1.0 53.4 ? 45 A 2 +ATOM 680 N N . GLN A 1 46 ? -21.292 10.119 -29.191 1.0 5.34 ? 46 A 2 +ATOM 681 C CA . GLN A 1 46 ? -21.109 11.153 -28.179 1.0 54.21 ? 46 A 2 +ATOM 682 C C . GLN A 1 46 ? -19.665 11.643 -28.156 1.0 23.33 ? 46 A 2 +ATOM 683 O O . GLN A 1 46 ? -18.744 10.908 -28.512 1.0 42.0 ? 46 A 2 +ATOM 684 C CB . GLN A 1 46 ? -21.502 10.62 -26.8 1.0 54.1 ? 46 A 2 +ATOM 685 C CG . GLN A 1 46 ? -20.742 9.368 -26.392 1.0 63.33 ? 46 A 2 +ATOM 686 C CD . GLN A 1 46 ? -20.699 9.174 -24.889 1.0 73.34 ? 46 A 2 +ATOM 687 O OE1 . GLN A 1 46 ? -21.738 9.109 -24.231 1.0 62.34 ? 46 A 2 +ATOM 688 N NE2 . GLN A 1 46 ? -19.495 9.081 -24.338 1.0 52.51 ? 46 A 2 +ATOM 689 H H . GLN A 1 46 ? -20.838 9.258 -29.083 1.0 61.13 ? 46 A 2 +ATOM 690 H HA . GLN A 1 46 ? -21.753 11.981 -28.431 1.0 1.54 ? 46 A 2 +ATOM 691 H HB2 . GLN A 1 46 ? -21.311 11.387 -26.064 1.0 70.34 ? 46 A 2 +ATOM 692 H HB3 . GLN A 1 46 ? -22.557 10.389 -26.803 1.0 24.41 ? 46 A 2 +ATOM 693 H HG2 . GLN A 1 46 ? -21.223 8.51 -26.837 1.0 71.34 ? 46 A 2 +ATOM 694 H HG3 . GLN A 1 46 ? -19.729 9.442 -26.76 1.0 12.44 ? 46 A 2 +ATOM 695 H HE21 . GLN A 1 46 ? -18.712 9.143 -24.924 1.0 61.21 ? 46 A 2 +ATOM 696 H HE22 . GLN A 1 46 ? -19.438 8.956 -23.368 1.0 54.41 ? 46 A 2 +ATOM 697 N N . ARG A 1 47 ? -19.475 12.889 -27.736 1.0 11.31 ? 47 A 2 +ATOM 698 C CA . ARG A 1 47 ? -18.143 13.478 -27.668 1.0 74.42 ? 47 A 2 +ATOM 699 C C . ARG A 1 47 ? -17.946 14.226 -26.353 1.0 0.05 ? 47 A 2 +ATOM 700 O O . ARG A 1 47 ? -18.91 14.538 -25.652 1.0 62.43 ? 47 A 2 +ATOM 701 C CB . ARG A 1 47 ? -17.922 14.429 -28.846 1.0 53.24 ? 47 A 2 +ATOM 702 C CG . ARG A 1 47 ? -17.348 13.749 -30.078 1.0 25.13 ? 47 A 2 +ATOM 703 C CD . ARG A 1 47 ? -17.619 14.558 -31.337 1.0 74.31 ? 47 A 2 +ATOM 704 N NE . ARG A 1 47 ? -16.727 14.182 -32.431 1.0 72.02 ? 47 A 2 +ATOM 705 C CZ . ARG A 1 47 ? -16.885 14.597 -33.683 1.0 4.33 ? 47 A 2 +ATOM 706 N NH1 . ARG A 1 47 ? -17.895 15.396 -33.998 1.0 22.33 ? 47 A 2 +ATOM 707 N NH2 . ARG A 1 47 ? -16.032 14.212 -34.623 1.0 24.44 ? 47 A 2 +ATOM 708 H H . ARG A 1 47 ? -20.249 13.426 -27.465 1.0 14.32 ? 47 A 2 +ATOM 709 H HA . ARG A 1 47 ? -17.423 12.676 -27.724 1.0 52.1 ? 47 A 2 +ATOM 710 H HB2 . ARG A 1 47 ? -18.868 14.875 -29.116 1.0 12.43 ? 47 A 2 +ATOM 711 H HB3 . ARG A 1 47 ? -17.24 15.208 -28.54 1.0 31.22 ? 47 A 2 +ATOM 712 H HG2 . ARG A 1 47 ? -16.281 13.643 -29.955 1.0 2.15 ? 47 A 2 +ATOM 713 H HG3 . ARG A 1 47 ? -17.8 12.774 -30.182 1.0 3.22 ? 47 A 2 +ATOM 714 H HD2 . ARG A 1 47 ? -18.641 14.389 -31.644 1.0 62.34 ? 47 A 2 +ATOM 715 H HD3 . ARG A 1 47 ? -17.479 15.605 -31.114 1.0 4.32 ? 47 A 2 +ATOM 716 H HE . ARG A 1 47 ? -15.975 13.592 -32.221 1.0 51.12 ? 47 A 2 +ATOM 717 H HH11 . ARG A 1 47 ? -18.539 15.689 -33.292 1.0 35.02 ? 47 A 2 +ATOM 718 H HH12 . ARG A 1 47 ? -18.011 15.708 -34.941 1.0 42.25 ? 47 A 2 +ATOM 719 H HH21 . ARG A 1 47 ? -15.269 13.609 -34.39 1.0 32.54 ? 47 A 2 +ATOM 720 H HH22 . ARG A 1 47 ? -16.151 14.524 -35.565 1.0 51.04 ? 47 A 2 +ATOM 721 N N . LEU A 1 48 ? -16.691 14.51 -26.023 1.0 13.42 ? 48 A 2 +ATOM 722 C CA . LEU A 1 48 ? -16.366 15.221 -24.791 1.0 63.04 ? 48 A 2 +ATOM 723 C C . LEU A 1 48 ? -16.012 16.677 -25.079 1.0 70.54 ? 48 A 2 +ATOM 724 O O . LEU A 1 48 ? -15.464 16.995 -26.135 1.0 13.22 ? 48 A 2 +ATOM 725 C CB . LEU A 1 48 ? -15.202 14.534 -24.074 1.0 73.22 ? 48 A 2 +ATOM 726 C CG . LEU A 1 48 ? -15.157 13.009 -24.177 1.0 23.01 ? 48 A 2 +ATOM 727 C CD1 . LEU A 1 48 ? -16.555 12.424 -24.054 1.0 2.23 ? 48 A 2 +ATOM 728 C CD2 . LEU A 1 48 ? -14.511 12.582 -25.487 1.0 62.5 ? 48 A 2 +ATOM 729 H H . LEU A 1 48 ? -15.965 14.236 -26.621 1.0 13.1 ? 48 A 2 +ATOM 730 H HA . LEU A 1 48 ? -17.237 15.194 -24.153 1.0 5.14 ? 48 A 2 +ATOM 731 H HB2 . LEU A 1 48 ? -14.284 14.921 -24.489 1.0 14.35 ? 48 A 2 +ATOM 732 H HB3 . LEU A 1 48 ? -15.26 14.795 -23.027 1.0 62.22 ? 48 A 2 +ATOM 733 H HG . LEU A 1 48 ? -14.559 12.618 -23.365 1.0 74.12 ? 48 A 2 +ATOM 734 H HD11 . LEU A 1 48 ? -17.179 13.099 -23.488 1.0 72.12 ? 48 A 2 +ATOM 735 H HD12 . LEU A 1 48 ? -16.503 11.471 -23.547 1.0 51.52 ? 48 A 2 +ATOM 736 H HD13 . LEU A 1 48 ? -16.975 12.285 -25.039 1.0 50.13 ? 48 A 2 +ATOM 737 H HD21 . LEU A 1 48 ? -15.28 12.384 -26.219 1.0 32.51 ? 48 A 2 +ATOM 738 H HD22 . LEU A 1 48 ? -13.928 11.687 -25.326 1.0 4.35 ? 48 A 2 +ATOM 739 H HD23 . LEU A 1 48 ? -13.867 13.372 -25.845 1.0 44.23 ? 48 A 2 +ATOM 740 N N . ILE A 1 49 ? -16.329 17.555 -24.134 1.0 13.31 ? 49 A 2 +ATOM 741 C CA . ILE A 1 49 ? -16.041 18.976 -24.286 1.0 13.25 ? 49 A 2 +ATOM 742 C C . ILE A 1 49 ? -15.541 19.578 -22.977 1.0 73.24 ? 49 A 2 +ATOM 743 O O . ILE A 1 49 ? -16.186 19.453 -21.936 1.0 20.41 ? 49 A 2 +ATOM 744 C CB . ILE A 1 49 ? -17.284 19.755 -24.754 1.0 42.12 ? 49 A 2 +ATOM 745 C CG1 . ILE A 1 49 ? -17.398 19.708 -26.279 1.0 21.4 ? 49 A 2 +ATOM 746 C CG2 . ILE A 1 49 ? -17.222 21.195 -24.267 1.0 44.11 ? 49 A 2 +ATOM 747 C CD1 . ILE A 1 49 ? -18.579 18.9 -26.772 1.0 30.32 ? 49 A 2 +ATOM 748 H H . ILE A 1 49 ? -16.765 17.24 -23.315 1.0 11.12 ? 49 A 2 +ATOM 749 H HA . ILE A 1 49 ? -15.271 19.082 -25.036 1.0 31.54 ? 49 A 2 +ATOM 750 H HB . ILE A 1 49 ? -18.157 19.291 -24.32 1.0 10.22 ? 49 A 2 +ATOM 751 H HG12 . ILE A 1 49 ? -17.503 20.712 -26.658 1.0 52.53 ? 49 A 2 +ATOM 752 H HG13 . ILE A 1 49 ? -16.5 19.266 -26.686 1.0 23.14 ? 49 A 2 +ATOM 753 H HG21 . ILE A 1 49 ? -17.876 21.808 -24.87 1.0 54.41 ? 49 A 2 +ATOM 754 H HG22 . ILE A 1 49 ? -17.538 21.24 -23.235 1.0 2.4 ? 49 A 2 +ATOM 755 H HG23 . ILE A 1 49 ? -16.209 21.56 -24.35 1.0 53.42 ? 49 A 2 +ATOM 756 H HD11 . ILE A 1 49 ? -18.307 18.384 -27.681 1.0 43.14 ? 49 A 2 +ATOM 757 H HD12 . ILE A 1 49 ? -18.861 18.178 -26.02 1.0 61.33 ? 49 A 2 +ATOM 758 H HD13 . ILE A 1 49 ? -19.41 19.56 -26.968 1.0 3.14 ? 49 A 2 +ATOM 759 N N . PHE A 1 50 ? -14.387 20.235 -23.037 1.0 0.44 ? 50 A 2 +ATOM 760 C CA . PHE A 1 50 ? -13.8 20.858 -21.857 1.0 63.4 ? 50 A 2 +ATOM 761 C C . PHE A 1 50 ? -13.666 22.366 -22.048 1.0 34.31 ? 50 A 2 +ATOM 762 O O . PHE A 1 50 ? -12.835 22.834 -22.825 1.0 24.03 ? 50 A 2 +ATOM 763 C CB . PHE A 1 50 ? -12.429 20.247 -21.56 1.0 1.31 ? 50 A 2 +ATOM 764 C CG . PHE A 1 50 ? -11.893 20.608 -20.204 1.0 63.44 ? 50 A 2 +ATOM 765 C CD1 . PHE A 1 50 ? -12.451 20.066 -19.058 1.0 63.22 ? 50 A 2 +ATOM 766 C CD2 . PHE A 1 50 ? -10.831 21.488 -20.076 1.0 31.12 ? 50 A 2 +ATOM 767 C CE1 . PHE A 1 50 ? -11.96 20.395 -17.808 1.0 44.05 ? 50 A 2 +ATOM 768 C CE2 . PHE A 1 50 ? -10.335 21.821 -18.829 1.0 53.14 ? 50 A 2 +ATOM 769 C CZ . PHE A 1 50 ? -10.901 21.274 -17.694 1.0 64.24 ? 50 A 2 +ATOM 770 H H . PHE A 1 50 ? -13.919 20.301 -23.896 1.0 32.43 ? 50 A 2 +ATOM 771 H HA . PHE A 1 50 ? -14.457 20.67 -21.022 1.0 55.42 ? 50 A 2 +ATOM 772 H HB2 . PHE A 1 50 ? -12.503 19.172 -21.612 1.0 72.21 ? 50 A 2 +ATOM 773 H HB3 . PHE A 1 50 ? -11.722 20.591 -22.3 1.0 52.42 ? 50 A 2 +ATOM 774 H HD1 . PHE A 1 50 ? -13.28 19.378 -19.146 1.0 64.41 ? 50 A 2 +ATOM 775 H HD2 . PHE A 1 50 ? -10.388 21.917 -20.963 1.0 25.0 ? 50 A 2 +ATOM 776 H HE1 . PHE A 1 50 ? -12.405 19.966 -16.923 1.0 33.34 ? 50 A 2 +ATOM 777 H HE2 . PHE A 1 50 ? -9.507 22.509 -18.743 1.0 34.14 ? 50 A 2 +ATOM 778 H HZ . PHE A 1 50 ? -10.515 21.532 -16.719 1.0 42.2 ? 50 A 2 +ATOM 779 N N . GLY A 1 51 ? -14.493 23.123 -21.333 1.0 53.44 ? 51 A 2 +ATOM 780 C CA . GLY A 1 51 ? -14.453 24.57 -21.438 1.0 33.5 ? 51 A 2 +ATOM 781 C C . GLY A 1 51 ? -15.044 25.074 -22.739 1.0 34.32 ? 51 A 2 +ATOM 782 O O . GLY A 1 51 ? -15.134 26.28 -22.963 1.0 0.02 ? 51 A 2 +ATOM 783 H H . GLY A 1 51 ? -15.136 22.695 -20.729 1.0 14.34 ? 51 A 2 +ATOM 784 H HA2 . GLY A 1 51 ? -15.007 24.995 -20.614 1.0 71.3 ? 51 A 2 +ATOM 785 H HA3 . GLY A 1 51 ? -13.425 24.895 -21.373 1.0 2.33 ? 51 A 2 +ATOM 786 N N . GLY A 1 52 ? -15.447 24.146 -23.603 1.0 51.33 ? 52 A 2 +ATOM 787 C CA . GLY A 1 52 ? -16.026 24.523 -24.879 1.0 70.11 ? 52 A 2 +ATOM 788 C C . GLY A 1 52 ? -15.383 23.796 -26.044 1.0 64.35 ? 52 A 2 +ATOM 789 O O . GLY A 1 52 ? -16.0 23.624 -27.095 1.0 21.12 ? 52 A 2 +ATOM 790 H H . GLY A 1 52 ? -15.351 23.199 -23.371 1.0 52.33 ? 52 A 2 +ATOM 791 H HA2 . GLY A 1 52 ? -17.081 24.295 -24.865 1.0 34.31 ? 52 A 2 +ATOM 792 H HA3 . GLY A 1 52 ? -15.899 25.586 -25.019 1.0 33.12 ? 52 A 2 +ATOM 793 N N . LYS A 1 53 ? -14.138 23.37 -25.859 1.0 4.12 ? 53 A 2 +ATOM 794 C CA . LYS A 1 53 ? -13.409 22.659 -26.902 1.0 20.15 ? 53 A 2 +ATOM 795 C C . LYS A 1 53 ? -13.578 21.15 -26.752 1.0 12.34 ? 53 A 2 +ATOM 796 O O . LYS A 1 53 ? -13.666 20.636 -25.637 1.0 53.3 ? 53 A 2 +ATOM 797 C CB . LYS A 1 53 ? -11.924 23.024 -26.856 1.0 12.13 ? 53 A 2 +ATOM 798 C CG . LYS A 1 53 ? -11.262 22.71 -25.525 1.0 34.42 ? 53 A 2 +ATOM 799 C CD . LYS A 1 53 ? -10.633 21.327 -25.528 1.0 44.0 ? 53 A 2 +ATOM 800 C CE . LYS A 1 53 ? -9.496 21.234 -26.535 1.0 75.53 ? 53 A 2 +ATOM 801 N NZ . LYS A 1 53 ? -8.188 20.974 -25.873 1.0 61.53 ? 53 A 2 +ATOM 802 H H . LYS A 1 53 ? -13.699 23.538 -24.999 1.0 32.12 ? 53 A 2 +ATOM 803 H HA . LYS A 1 53 ? -13.816 22.961 -27.856 1.0 74.23 ? 53 A 2 +ATOM 804 H HB2 . LYS A 1 53 ? -11.406 22.477 -27.63 1.0 34.02 ? 53 A 2 +ATOM 805 H HB3 . LYS A 1 53 ? -11.82 24.083 -27.044 1.0 32.22 ? 53 A 2 +ATOM 806 H HG2 . LYS A 1 53 ? -10.493 23.443 -25.334 1.0 24.24 ? 53 A 2 +ATOM 807 H HG3 . LYS A 1 53 ? -12.007 22.755 -24.743 1.0 53.0 ? 53 A 2 +ATOM 808 H HD2 . LYS A 1 53 ? -10.244 21.116 -24.543 1.0 22.42 ? 53 A 2 +ATOM 809 H HD3 . LYS A 1 53 ? -11.388 20.598 -25.783 1.0 0.05 ? 53 A 2 +ATOM 810 H HE2 . LYS A 1 53 ? -9.708 20.431 -27.224 1.0 25.2 ? 53 A 2 +ATOM 811 H HE3 . LYS A 1 53 ? -9.436 22.166 -27.077 1.0 75.24 ? 53 A 2 +ATOM 812 H HZ1 . LYS A 1 53 ? -8.331 20.417 -25.006 1.0 1.33 ? 53 A 2 +ATOM 813 H HZ2 . LYS A 1 53 ? -7.729 21.873 -25.623 1.0 14.14 ? 53 A 2 +ATOM 814 H HZ3 . LYS A 1 53 ? -7.563 20.445 -26.513 1.0 31.25 ? 53 A 2 +ATOM 815 N N . GLN A 1 54 ? -13.62 20.448 -27.88 1.0 32.1 ? 54 A 2 +ATOM 816 C CA . GLN A 1 54 ? -13.777 18.999 -27.871 1.0 3.14 ? 54 A 2 +ATOM 817 C C . GLN A 1 54 ? -12.493 18.315 -27.415 1.0 14.5 ? 54 A 2 +ATOM 818 O O . GLN A 1 54 ? -11.42 18.92 -27.417 1.0 22.04 ? 54 A 2 +ATOM 819 C CB . GLN A 1 54 ? -14.168 18.499 -29.263 1.0 14.03 ? 54 A 2 +ATOM 820 C CG . GLN A 1 54 ? -15.381 17.583 -29.262 1.0 52.41 ? 54 A 2 +ATOM 821 C CD . GLN A 1 54 ? -15.005 16.116 -29.308 1.0 44.23 ? 54 A 2 +ATOM 822 O OE1 . GLN A 1 54 ? -14.949 15.445 -28.276 1.0 25.33 ? 54 A 2 +ATOM 823 N NE2 . GLN A 1 54 ? -14.745 15.608 -30.507 1.0 63.1 ? 54 A 2 +ATOM 824 H H . GLN A 1 54 ? -13.545 20.916 -28.737 1.0 52.11 ? 54 A 2 +ATOM 825 H HA . GLN A 1 54 ? -14.566 18.755 -27.177 1.0 62.04 ? 54 A 2 +ATOM 826 H HB2 . GLN A 1 54 ? -14.387 19.35 -29.89 1.0 31.24 ? 54 A 2 +ATOM 827 H HB3 . GLN A 1 54 ? -13.335 17.956 -29.685 1.0 25.42 ? 54 A 2 +ATOM 828 H HG2 . GLN A 1 54 ? -15.953 17.765 -28.364 1.0 52.11 ? 54 A 2 +ATOM 829 H HG3 . GLN A 1 54 ? -15.989 17.811 -30.126 1.0 53.52 ? 54 A 2 +ATOM 830 H HE21 . GLN A 1 54 ? -14.808 16.202 -31.284 1.0 45.55 ? 54 A 2 +ATOM 831 H HE22 . GLN A 1 54 ? -14.498 14.662 -30.565 1.0 62.42 ? 54 A 2 +ATOM 832 N N . LEU A 1 55 ? -12.609 17.051 -27.023 1.0 51.34 ? 55 A 2 +ATOM 833 C CA . LEU A 1 55 ? -11.456 16.284 -26.562 1.0 40.45 ? 55 A 2 +ATOM 834 C C . LEU A 1 55 ? -11.183 15.103 -27.489 1.0 63.5 ? 55 A 2 +ATOM 835 O O . LEU A 1 55 ? -12.068 14.29 -27.75 1.0 52.11 ? 55 A 2 +ATOM 836 C CB . LEU A 1 55 ? -11.688 15.784 -25.135 1.0 25.03 ? 55 A 2 +ATOM 837 C CG . LEU A 1 55 ? -12.159 16.832 -24.126 1.0 41.33 ? 55 A 2 +ATOM 838 C CD1 . LEU A 1 55 ? -12.184 16.246 -22.722 1.0 33.24 ? 55 A 2 +ATOM 839 C CD2 . LEU A 1 55 ? -11.263 18.061 -24.176 1.0 52.23 ? 55 A 2 +ATOM 840 H H . LEU A 1 55 ? -13.489 16.623 -27.043 1.0 12.34 ? 55 A 2 +ATOM 841 H HA . LEU A 1 55 ? -10.598 16.939 -26.571 1.0 22.21 ? 55 A 2 +ATOM 842 H HB2 . LEU A 1 55 ? -12.434 15.005 -25.175 1.0 55.1 ? 55 A 2 +ATOM 843 H HB3 . LEU A 1 55 ? -10.757 15.371 -24.775 1.0 51.11 ? 55 A 2 +ATOM 844 H HG . LEU A 1 55 ? -13.164 17.139 -24.377 1.0 72.12 ? 55 A 2 +ATOM 845 H HD11 . LEU A 1 55 ? -12.015 17.032 -22.001 1.0 32.04 ? 55 A 2 +ATOM 846 H HD12 . LEU A 1 55 ? -11.41 15.499 -22.63 1.0 44.35 ? 55 A 2 +ATOM 847 H HD13 . LEU A 1 55 ? -13.147 15.791 -22.54 1.0 32.21 ? 55 A 2 +ATOM 848 H HD21 . LEU A 1 55 ? -11.808 18.885 -24.613 1.0 33.14 ? 55 A 2 +ATOM 849 H HD22 . LEU A 1 55 ? -10.392 17.846 -24.777 1.0 72.01 ? 55 A 2 +ATOM 850 H HD23 . LEU A 1 55 ? -10.954 18.323 -23.175 1.0 74.33 ? 55 A 2 +ATOM 851 N N . GLU A 1 56 ? -9.951 15.016 -27.98 1.0 12.02 ? 56 A 2 +ATOM 852 C CA . GLU A 1 56 ? -9.561 13.934 -28.876 1.0 31.33 ? 56 A 2 +ATOM 853 C C . GLU A 1 56 ? -9.496 12.605 -28.128 1.0 62.51 ? 56 A 2 +ATOM 854 O O . GLU A 1 56 ? -9.843 12.526 -26.949 1.0 51.02 ? 56 A 2 +ATOM 855 C CB . GLU A 1 56 ? -8.206 14.236 -29.519 1.0 62.01 ? 56 A 2 +ATOM 856 C CG . GLU A 1 56 ? -8.231 14.199 -31.038 1.0 21.02 ? 56 A 2 +ATOM 857 C CD . GLU A 1 56 ? -7.542 15.396 -31.662 1.0 1.0 ? 56 A 2 +ATOM 858 O OE1 . GLU A 1 56 ? -7.759 16.526 -31.177 1.0 61.34 ? 56 A 2 +ATOM 859 O OE2 . GLU A 1 56 ? -6.785 15.203 -32.636 1.0 22.01 ? 56 A 2 +ATOM 860 H H . GLU A 1 56 ? -9.289 15.696 -27.735 1.0 72.43 ? 56 A 2 +ATOM 861 H HA . GLU A 1 56 ? -10.309 13.86 -29.652 1.0 4.21 ? 56 A 2 +ATOM 862 H HB2 . GLU A 1 56 ? -7.886 15.22 -29.208 1.0 41.11 ? 56 A 2 +ATOM 863 H HB3 . GLU A 1 56 ? -7.487 13.508 -29.174 1.0 51.02 ? 56 A 2 +ATOM 864 H HG2 . GLU A 1 56 ? -7.731 13.301 -31.371 1.0 71.31 ? 56 A 2 +ATOM 865 H HG3 . GLU A 1 56 ? -9.259 14.181 -31.368 1.0 60.44 ? 56 A 2 +ATOM 866 N N . ASP A 1 57 ? -9.051 11.564 -28.822 1.0 71.03 ? 57 A 2 +ATOM 867 C CA . ASP A 1 57 ? -8.94 10.238 -28.225 1.0 63.41 ? 57 A 2 +ATOM 868 C C . ASP A 1 57 ? -7.794 10.19 -27.218 1.0 21.4 ? 57 A 2 +ATOM 869 O O . ASP A 1 57 ? -7.765 9.331 -26.337 1.0 43.31 ? 57 A 2 +ATOM 870 C CB . ASP A 1 57 ? -8.726 9.182 -29.311 1.0 45.31 ? 57 A 2 +ATOM 871 C CG . ASP A 1 57 ? -9.517 9.478 -30.569 1.0 55.43 ? 57 A 2 +ATOM 872 O OD1 . ASP A 1 57 ? -10.674 9.932 -30.449 1.0 72.35 ? 57 A 2 +ATOM 873 O OD2 . ASP A 1 57 ? -8.98 9.254 -31.675 1.0 15.11 ? 57 A 2 +ATOM 874 H H . ASP A 1 57 ? -8.789 11.69 -29.758 1.0 23.12 ? 57 A 2 +ATOM 875 H HA . ASP A 1 57 ? -9.864 10.028 -27.709 1.0 62.14 ? 57 A 2 +ATOM 876 H HB2 . ASP A 1 57 ? -7.677 9.146 -29.567 1.0 24.44 ? 57 A 2 +ATOM 877 H HB3 . ASP A 1 57 ? -9.033 8.218 -28.932 1.0 64.03 ? 57 A 2 +ATOM 878 N N . SER A 1 58 ? -6.852 11.117 -27.357 1.0 32.51 ? 58 A 2 +ATOM 879 C CA . SER A 1 58 ? -5.701 11.177 -26.463 1.0 62.24 ? 58 A 2 +ATOM 880 C C . SER A 1 58 ? -5.776 12.407 -25.563 1.0 2.12 ? 58 A 2 +ATOM 881 O O . SER A 1 58 ? -4.859 12.682 -24.791 1.0 12.21 ? 58 A 2 +ATOM 882 C CB . SER A 1 58 ? -4.402 11.2 -27.27 1.0 65.11 ? 58 A 2 +ATOM 883 O OG . SER A 1 58 ? -3.28 10.971 -26.437 1.0 34.21 ? 58 A 2 +ATOM 884 H H . SER A 1 58 ? -6.932 11.775 -28.079 1.0 21.03 ? 58 A 2 +ATOM 885 H HA . SER A 1 58 ? -5.716 10.292 -25.844 1.0 33.55 ? 58 A 2 +ATOM 886 H HB2 . SER A 1 58 ? -4.437 10.43 -28.026 1.0 31.42 ? 58 A 2 +ATOM 887 H HB3 . SER A 1 58 ? -4.293 12.165 -27.744 1.0 40.4 ? 58 A 2 +ATOM 888 H HG . SER A 1 58 ? -2.998 10.057 -26.522 1.0 10.23 ? 58 A 2 +ATOM 889 N N . ASN A 1 59 ? -6.877 13.145 -25.671 1.0 35.41 ? 59 A 2 +ATOM 890 C CA . ASN A 1 59 ? -7.073 14.347 -24.868 1.0 52.34 ? 59 A 2 +ATOM 891 C C . ASN A 1 59 ? -7.594 13.994 -23.478 1.0 4.01 ? 59 A 2 +ATOM 892 O O . ASN A 1 59 ? -8.772 14.187 -23.179 1.0 42.21 ? 59 A 2 +ATOM 893 C CB . ASN A 1 59 ? -8.048 15.297 -25.565 1.0 21.1 ? 59 A 2 +ATOM 894 C CG . ASN A 1 59 ? -8.159 16.634 -24.856 1.0 14.54 ? 59 A 2 +ATOM 895 O OD1 . ASN A 1 59 ? -8.675 16.717 -23.742 1.0 24.42 ? 59 A 2 +ATOM 896 N ND2 . ASN A 1 59 ? -7.673 17.687 -25.502 1.0 14.44 ? 59 A 2 +ATOM 897 H H . ASN A 1 59 ? -7.574 12.875 -26.305 1.0 5.51 ? 59 A 2 +ATOM 898 H HA . ASN A 1 59 ? -6.116 14.837 -24.767 1.0 74.51 ? 59 A 2 +ATOM 899 H HB2 . ASN A 1 59 ? -7.709 15.475 -26.575 1.0 43.43 ? 59 A 2 +ATOM 900 H HB3 . ASN A 1 59 ? -9.027 14.843 -25.593 1.0 11.21 ? 59 A 2 +ATOM 901 H HD21 . ASN A 1 59 ? -7.276 17.546 -26.387 1.0 21.33 ? 59 A 2 +ATOM 902 H HD22 . ASN A 1 59 ? -7.731 18.564 -25.067 1.0 12.0 ? 59 A 2 +ATOM 903 N N . ALA A 1 60 ? -6.708 13.477 -22.634 1.0 13.11 ? 60 A 2 +ATOM 904 C CA . ALA A 1 60 ? -7.077 13.099 -21.275 1.0 35.51 ? 60 A 2 +ATOM 905 C C . ALA A 1 60 ? -5.84 12.853 -20.418 1.0 74.01 ? 60 A 2 +ATOM 906 O O . ALA A 1 60 ? -5.336 13.764 -19.763 1.0 74.24 ? 60 A 2 +ATOM 907 C CB . ALA A 1 60 ? -7.964 11.863 -21.293 1.0 64.13 ? 60 A 2 +ATOM 908 H H . ALA A 1 60 ? -5.783 13.347 -22.931 1.0 31.12 ? 60 A 2 +ATOM 909 H HA . ALA A 1 60 ? -7.644 13.913 -20.845 1.0 20.01 ? 60 A 2 +ATOM 910 H HB1 . ALA A 1 60 ? -7.491 11.09 -21.882 1.0 72.33 ? 60 A 2 +ATOM 911 H HB2 . ALA A 1 60 ? -8.109 11.509 -20.284 1.0 25.02 ? 60 A 2 +ATOM 912 H HB3 . ALA A 1 60 ? -8.92 12.113 -21.728 1.0 51.02 ? 60 A 2 +ATOM 913 N N . MET A 1 61 ? -5.357 11.615 -20.428 1.0 21.52 ? 61 A 2 +ATOM 914 C CA . MET A 1 61 ? -4.178 11.249 -19.651 1.0 32.03 ? 61 A 2 +ATOM 915 C C . MET A 1 61 ? -3.027 12.212 -19.925 1.0 55.14 ? 61 A 2 +ATOM 916 O O . MET A 1 61 ? -2.408 12.734 -18.997 1.0 73.23 ? 61 A 2 +ATOM 917 C CB . MET A 1 61 ? -3.749 9.817 -19.978 1.0 33.12 ? 61 A 2 +ATOM 918 C CG . MET A 1 61 ? -4.044 9.407 -21.411 1.0 10.31 ? 61 A 2 +ATOM 919 S SD . MET A 1 61 ? -2.828 8.248 -22.066 1.0 3.45 ? 61 A 2 +ATOM 920 C CE . MET A 1 61 ? -1.469 9.355 -22.435 1.0 11.34 ? 61 A 2 +ATOM 921 H H . MET A 1 61 ? -5.802 10.931 -20.97 1.0 44.35 ? 61 A 2 +ATOM 922 H HA . MET A 1 61 ? -4.439 11.307 -18.605 1.0 14.21 ? 61 A 2 +ATOM 923 H HB2 . MET A 1 61 ? -2.686 9.725 -19.811 1.0 14.23 ? 61 A 2 +ATOM 924 H HB3 . MET A 1 61 ? -4.269 9.139 -19.318 1.0 0.24 ? 61 A 2 +ATOM 925 H HG2 . MET A 1 61 ? -5.018 8.942 -21.446 1.0 62.14 ? 61 A 2 +ATOM 926 H HG3 . MET A 1 61 ? -4.048 10.292 -22.031 1.0 32.0 ? 61 A 2 +ATOM 927 H HE1 . MET A 1 61 ? -1.814 10.377 -22.382 1.0 54.23 ? 61 A 2 +ATOM 928 H HE2 . MET A 1 61 ? -0.677 9.205 -21.717 1.0 64.31 ? 61 A 2 +ATOM 929 H HE3 . MET A 1 61 ? -1.098 9.15 -23.428 1.0 24.11 ? 61 A 2 +ATOM 930 N N . SER A 1 62 ? -2.744 12.442 -21.203 1.0 73.15 ? 62 A 2 +ATOM 931 C CA . SER A 1 62 ? -1.664 13.338 -21.598 1.0 12.22 ? 62 A 2 +ATOM 932 C C . SER A 1 62 ? -2.081 14.797 -21.431 1.0 13.52 ? 62 A 2 +ATOM 933 O O . SER A 1 62 ? -1.257 15.658 -21.121 1.0 42.51 ? 62 A 2 +ATOM 934 C CB . SER A 1 62 ? -1.259 13.075 -23.049 1.0 62.33 ? 62 A 2 +ATOM 935 O OG . SER A 1 62 ? 0.0 12.427 -23.118 1.0 14.13 ? 62 A 2 +ATOM 936 H H . SER A 1 62 ? -3.273 11.995 -21.897 1.0 74.25 ? 62 A 2 +ATOM 937 H HA . SER A 1 62 ? -0.819 13.142 -20.956 1.0 74.15 ? 62 A 2 +ATOM 938 H HB2 . SER A 1 62 ? -2.0 12.445 -23.519 1.0 54.41 ? 62 A 2 +ATOM 939 H HB3 . SER A 1 62 ? -1.196 14.014 -23.579 1.0 23.45 ? 62 A 2 +ATOM 940 H HG . SER A 1 62 ? 0.571 12.9 -23.727 1.0 1.23 ? 62 A 2 +ATOM 941 N N . ASP A 1 63 ? -3.365 15.066 -21.64 1.0 34.33 ? 63 A 2 +ATOM 942 C CA . ASP A 1 63 ? -3.893 16.419 -21.512 1.0 10.21 ? 63 A 2 +ATOM 943 C C . ASP A 1 63 ? -3.606 16.986 -20.125 1.0 63.54 ? 63 A 2 +ATOM 944 O O . ASP A 1 63 ? -3.52 18.201 -19.945 1.0 31.33 ? 63 A 2 +ATOM 945 C CB . ASP A 1 63 ? -5.399 16.429 -21.78 1.0 21.1 ? 63 A 2 +ATOM 946 C CG . ASP A 1 63 ? -5.914 17.809 -22.139 1.0 12.2 ? 63 A 2 +ATOM 947 O OD1 . ASP A 1 63 ? -5.201 18.54 -22.858 1.0 53.24 ? 63 A 2 +ATOM 948 O OD2 . ASP A 1 63 ? -7.029 18.159 -21.699 1.0 3.13 ? 63 A 2 +ATOM 949 H H . ASP A 1 63 ? -3.972 14.336 -21.885 1.0 14.4 ? 63 A 2 +ATOM 950 H HA . ASP A 1 63 ? -3.402 17.038 -22.248 1.0 72.42 ? 63 A 2 +ATOM 951 H HB2 . ASP A 1 63 ? -5.617 15.76 -22.6 1.0 63.34 ? 63 A 2 +ATOM 952 H HB3 . ASP A 1 63 ? -5.917 16.089 -20.896 1.0 44.51 ? 63 A 2 +ATOM 953 N N . TYR A 1 64 ? -3.461 16.098 -19.148 1.0 43.15 ? 64 A 2 +ATOM 954 C CA . TYR A 1 64 ? -3.188 16.51 -17.776 1.0 74.44 ? 64 A 2 +ATOM 955 C C . TYR A 1 64 ? -4.438 17.09 -17.122 1.0 35.31 ? 64 A 2 +ATOM 956 O O . TYR A 1 64 ? -4.355 17.805 -16.124 1.0 63.11 ? 64 A 2 +ATOM 957 C CB . TYR A 1 64 ? -2.058 17.54 -17.746 1.0 41.31 ? 64 A 2 +ATOM 958 C CG . TYR A 1 64 ? -0.929 17.173 -16.809 1.0 35.31 ? 64 A 2 +ATOM 959 C CD1 . TYR A 1 64 ? -1.186 16.75 -15.511 1.0 10.21 ? 64 A 2 +ATOM 960 C CD2 . TYR A 1 64 ? 0.395 17.247 -17.224 1.0 61.0 ? 64 A 2 +ATOM 961 C CE1 . TYR A 1 64 ? -0.158 16.415 -14.652 1.0 31.32 ? 64 A 2 +ATOM 962 C CE2 . TYR A 1 64 ? 1.43 16.912 -16.372 1.0 3.01 ? 64 A 2 +ATOM 963 C CZ . TYR A 1 64 ? 1.149 16.497 -15.087 1.0 35.43 ? 64 A 2 +ATOM 964 O OH . TYR A 1 64 ? 2.176 16.162 -14.235 1.0 23.32 ? 64 A 2 +ATOM 965 H H . TYR A 1 64 ? -3.541 15.143 -19.353 1.0 10.22 ? 64 A 2 +ATOM 966 H HA . TYR A 1 64 ? -2.88 15.635 -17.222 1.0 40.51 ? 64 A 2 +ATOM 967 H HB2 . TYR A 1 64 ? -1.645 17.641 -18.738 1.0 75.32 ? 64 A 2 +ATOM 968 H HB3 . TYR A 1 64 ? -2.456 18.492 -17.428 1.0 32.34 ? 64 A 2 +ATOM 969 H HD1 . TYR A 1 64 ? -2.211 16.687 -15.173 1.0 1.35 ? 64 A 2 +ATOM 970 H HD2 . TYR A 1 64 ? 0.613 17.572 -18.231 1.0 32.41 ? 64 A 2 +ATOM 971 H HE1 . TYR A 1 64 ? -0.378 16.089 -13.646 1.0 52.21 ? 64 A 2 +ATOM 972 H HE2 . TYR A 1 64 ? 2.453 16.976 -16.712 1.0 43.14 ? 64 A 2 +ATOM 973 H HH . TYR A 1 64 ? 1.946 15.364 -13.755 1.0 23.33 ? 64 A 2 +ATOM 974 N N . ASN A 1 65 ? -5.597 16.777 -17.693 1.0 61.21 ? 65 A 2 +ATOM 975 C CA . ASN A 1 65 ? -6.866 17.266 -17.167 1.0 70.22 ? 65 A 2 +ATOM 976 C C . ASN A 1 65 ? -7.664 16.133 -16.529 1.0 21.44 ? 65 A 2 +ATOM 977 O O . ASN A 1 65 ? -8.843 16.292 -16.212 1.0 22.24 ? 65 A 2 +ATOM 978 C CB . ASN A 1 65 ? -7.686 17.919 -18.282 1.0 30.31 ? 65 A 2 +ATOM 979 C CG . ASN A 1 65 ? -8.661 16.951 -18.924 1.0 75.23 ? 65 A 2 +ATOM 980 O OD1 . ASN A 1 65 ? -9.871 17.179 -18.924 1.0 74.2 ? 65 A 2 +ATOM 981 N ND2 . ASN A 1 65 ? -8.138 15.862 -19.475 1.0 12.4 ? 65 A 2 +ATOM 982 H H . ASN A 1 65 ? -5.599 16.202 -18.487 1.0 72.01 ? 65 A 2 +ATOM 983 H HA . ASN A 1 65 ? -6.648 18.007 -16.413 1.0 43.44 ? 65 A 2 +ATOM 984 H HB2 . ASN A 1 65 ? -8.247 18.745 -17.871 1.0 12.24 ? 65 A 2 +ATOM 985 H HB3 . ASN A 1 65 ? -7.017 18.287 -19.045 1.0 73.02 ? 65 A 2 +ATOM 986 H HD21 . ASN A 1 65 ? -7.165 15.746 -19.438 1.0 23.44 ? 65 A 2 +ATOM 987 H HD22 . ASN A 1 65 ? -8.745 15.22 -19.898 1.0 32.24 ? 65 A 2 +ATOM 988 N N . VAL A 1 66 ? -7.013 14.99 -16.344 1.0 11.4 ? 66 A 2 +ATOM 989 C CA . VAL A 1 66 ? -7.66 13.83 -15.742 1.0 70.45 ? 66 A 2 +ATOM 990 C C . VAL A 1 66 ? -7.218 13.643 -14.295 1.0 73.11 ? 66 A 2 +ATOM 991 O O . VAL A 1 66 ? -6.287 12.889 -14.014 1.0 33.12 ? 66 A 2 +ATOM 992 C CB . VAL A 1 66 ? -7.354 12.544 -16.532 1.0 40.11 ? 66 A 2 +ATOM 993 C CG1 . VAL A 1 66 ? -5.857 12.4 -16.759 1.0 32.21 ? 66 A 2 +ATOM 994 C CG2 . VAL A 1 66 ? -7.91 11.328 -15.805 1.0 25.13 ? 66 A 2 +ATOM 995 H H . VAL A 1 66 ? -6.074 14.924 -16.617 1.0 25.31 ? 66 A 2 +ATOM 996 H HA . VAL A 1 66 ? -8.728 13.995 -15.764 1.0 44.24 ? 66 A 2 +ATOM 997 H HB . VAL A 1 66 ? -7.837 12.613 -17.495 1.0 65.05 ? 66 A 2 +ATOM 998 H HG11 . VAL A 1 66 ? -5.326 13.056 -16.084 1.0 62.5 ? 66 A 2 +ATOM 999 H HG12 . VAL A 1 66 ? -5.561 11.378 -16.578 1.0 4.5 ? 66 A 2 +ATOM 1000 H HG13 . VAL A 1 66 ? -5.621 12.668 -17.779 1.0 12.32 ? 66 A 2 +ATOM 1001 H HG21 . VAL A 1 66 ? -8.5 10.737 -16.49 1.0 23.4 ? 66 A 2 +ATOM 1002 H HG22 . VAL A 1 66 ? -7.093 10.732 -15.426 1.0 64.2 ? 66 A 2 +ATOM 1003 H HG23 . VAL A 1 66 ? -8.531 11.652 -14.983 1.0 74.31 ? 66 A 2 +ATOM 1004 N N . GLN A 1 67 ? -7.893 14.333 -13.382 1.0 5.43 ? 67 A 2 +ATOM 1005 C CA . GLN A 1 67 ? -7.569 14.242 -11.963 1.0 15.5 ? 67 A 2 +ATOM 1006 C C . GLN A 1 67 ? -8.491 13.254 -11.256 1.0 62.54 ? 67 A 2 +ATOM 1007 O O . GLN A 1 67 ? -9.339 12.621 -11.885 1.0 44.01 ? 67 A 2 +ATOM 1008 C CB . GLN A 1 67 ? -7.677 15.619 -11.305 1.0 35.11 ? 67 A 2 +ATOM 1009 C CG . GLN A 1 67 ? -9.014 16.302 -11.538 1.0 11.21 ? 67 A 2 +ATOM 1010 C CD . GLN A 1 67 ? -9.208 17.523 -10.661 1.0 34.44 ? 67 A 2 +ATOM 1011 O OE1 . GLN A 1 67 ? -9.081 17.449 -9.438 1.0 41.54 ? 67 A 2 +ATOM 1012 N NE2 . GLN A 1 67 ? -9.515 18.656 -11.281 1.0 50.51 ? 67 A 2 +ATOM 1013 H H . GLN A 1 67 ? -8.625 14.917 -13.668 1.0 54.23 ? 67 A 2 +ATOM 1014 H HA . GLN A 1 67 ? -6.552 13.891 -11.877 1.0 21.13 ? 67 A 2 +ATOM 1015 H HB2 . GLN A 1 67 ? -7.534 15.508 -10.24 1.0 61.05 ? 67 A 2 +ATOM 1016 H HB3 . GLN A 1 67 ? -6.899 16.255 -11.699 1.0 21.05 ? 67 A 2 +ATOM 1017 H HG2 . GLN A 1 67 ? -9.072 16.609 -12.572 1.0 63.24 ? 67 A 2 +ATOM 1018 H HG3 . GLN A 1 67 ? -9.805 15.597 -11.329 1.0 63.02 ? 67 A 2 +ATOM 1019 H HE21 . GLN A 1 67 ? -9.601 18.64 -12.258 1.0 0.12 ? 67 A 2 +ATOM 1020 H HE22 . GLN A 1 67 ? -9.647 19.46 -10.739 1.0 72.41 ? 67 A 2 +ATOM 1021 N N . LYS A 1 68 ? -8.319 13.127 -9.945 1.0 63.33 ? 68 A 2 +ATOM 1022 C CA . LYS A 1 68 ? -9.136 12.217 -9.151 1.0 34.0 ? 68 A 2 +ATOM 1023 C C . LYS A 1 68 ? -10.621 12.496 -9.358 1.0 33.21 ? 68 A 2 +ATOM 1024 O O . LYS A 1 68 ? -11.45 11.591 -9.267 1.0 33.01 ? 68 A 2 +ATOM 1025 C CB . LYS A 1 68 ? -8.784 12.346 -7.667 1.0 41.41 ? 68 A 2 +ATOM 1026 C CG . LYS A 1 68 ? -9.449 11.298 -6.791 1.0 61.44 ? 68 A 2 +ATOM 1027 C CD . LYS A 1 68 ? -8.88 9.913 -7.048 1.0 43.41 ? 68 A 2 +ATOM 1028 C CE . LYS A 1 68 ? -7.652 9.647 -6.191 1.0 23.43 ? 68 A 2 +ATOM 1029 N NZ . LYS A 1 68 ? -7.967 9.705 -4.737 1.0 52.05 ? 68 A 2 +ATOM 1030 H H . LYS A 1 68 ? -7.627 13.659 -9.499 1.0 75.53 ? 68 A 2 +ATOM 1031 H HA . LYS A 1 68 ? -8.922 11.21 -9.476 1.0 31.4 ? 68 A 2 +ATOM 1032 H HB2 . LYS A 1 68 ? -7.714 12.254 -7.553 1.0 51.5 ? 68 A 2 +ATOM 1033 H HB3 . LYS A 1 68 ? -9.092 13.322 -7.32 1.0 62.4 ? 68 A 2 +ATOM 1034 H HG2 . LYS A 1 68 ? -9.288 11.554 -5.754 1.0 22.33 ? 68 A 2 +ATOM 1035 H HG3 . LYS A 1 68 ? -10.509 11.287 -7.0 1.0 45.02 ? 68 A 2 +ATOM 1036 H HD2 . LYS A 1 68 ? -9.633 9.175 -6.817 1.0 14.2 ? 68 A 2 +ATOM 1037 H HD3 . LYS A 1 68 ? -8.605 9.835 -8.091 1.0 13.53 ? 68 A 2 +ATOM 1038 H HE2 . LYS A 1 68 ? -7.269 8.666 -6.429 1.0 43.13 ? 68 A 2 +ATOM 1039 H HE3 . LYS A 1 68 ? -6.902 10.391 -6.418 1.0 63.42 ? 68 A 2 +ATOM 1040 H HZ1 . LYS A 1 68 ? -8.059 10.694 -4.43 1.0 1.54 ? 68 A 2 +ATOM 1041 H HZ2 . LYS A 1 68 ? -7.208 9.252 -4.189 1.0 73.32 ? 68 A 2 +ATOM 1042 H HZ3 . LYS A 1 68 ? -8.861 9.209 -4.545 1.0 23.44 ? 68 A 2 +ATOM 1043 N N . GLU A 1 69 ? -10.948 13.753 -9.639 1.0 51.1 ? 69 A 2 +ATOM 1044 C CA . GLU A 1 69 ? -12.334 14.15 -9.86 1.0 15.41 ? 69 A 2 +ATOM 1045 C C . GLU A 1 69 ? -12.411 15.373 -10.769 1.0 20.25 ? 69 A 2 +ATOM 1046 O O . GLU A 1 69 ? -12.42 16.51 -10.298 1.0 55.15 ? 69 A 2 +ATOM 1047 C CB . GLU A 1 69 ? -13.022 14.447 -8.526 1.0 42.14 ? 69 A 2 +ATOM 1048 C CG . GLU A 1 69 ? -12.201 15.331 -7.602 1.0 32.44 ? 69 A 2 +ATOM 1049 C CD . GLU A 1 69 ? -13.062 16.144 -6.656 1.0 60.3 ? 69 A 2 +ATOM 1050 O OE1 . GLU A 1 69 ? -14.044 15.587 -6.121 1.0 52.11 ? 69 A 2 +ATOM 1051 O OE2 . GLU A 1 69 ? -12.755 17.337 -6.449 1.0 33.22 ? 69 A 2 +ATOM 1052 H H . GLU A 1 69 ? -10.242 14.43 -9.698 1.0 51.55 ? 69 A 2 +ATOM 1053 H HA . GLU A 1 69 ? -12.842 13.327 -10.341 1.0 21.13 ? 69 A 2 +ATOM 1054 H HB2 . GLU A 1 69 ? -13.962 14.941 -8.722 1.0 70.35 ? 69 A 2 +ATOM 1055 H HB3 . GLU A 1 69 ? -13.215 13.514 -8.019 1.0 25.14 ? 69 A 2 +ATOM 1056 H HG2 . GLU A 1 69 ? -11.543 14.705 -7.018 1.0 60.54 ? 69 A 2 +ATOM 1057 H HG3 . GLU A 1 69 ? -11.612 16.009 -8.202 1.0 2.43 ? 69 A 2 +ATOM 1058 N N . SER A 1 70 ? -12.466 15.131 -12.075 1.0 51.41 ? 70 A 2 +ATOM 1059 C CA . SER A 1 70 ? -12.538 16.212 -13.051 1.0 50.24 ? 70 A 2 +ATOM 1060 C C . SER A 1 70 ? -13.928 16.288 -13.675 1.0 72.1 ? 70 A 2 +ATOM 1061 O O . SER A 1 70 ? -14.501 15.273 -14.072 1.0 13.02 ? 70 A 2 +ATOM 1062 C CB . SER A 1 70 ? -11.486 16.013 -14.143 1.0 75.43 ? 70 A 2 +ATOM 1063 O OG . SER A 1 70 ? -10.933 17.252 -14.551 1.0 45.33 ? 70 A 2 +ATOM 1064 H H . SER A 1 70 ? -12.456 14.203 -12.389 1.0 42.55 ? 70 A 2 +ATOM 1065 H HA . SER A 1 70 ? -12.337 17.139 -12.534 1.0 61.25 ? 70 A 2 +ATOM 1066 H HB2 . SER A 1 70 ? -10.693 15.386 -13.765 1.0 1.23 ? 70 A 2 +ATOM 1067 H HB3 . SER A 1 70 ? -11.944 15.537 -14.998 1.0 50.33 ? 70 A 2 +ATOM 1068 H HG . SER A 1 70 ? -11.254 17.472 -15.429 1.0 14.24 ? 70 A 2 +ATOM 1069 N N . THR A 1 71 ? -14.467 17.501 -13.76 1.0 52.55 ? 71 A 2 +ATOM 1070 C CA . THR A 1 71 ? -15.789 17.712 -14.335 1.0 43.33 ? 71 A 2 +ATOM 1071 C C . THR A 1 71 ? -15.695 18.07 -15.813 1.0 63.44 ? 71 A 2 +ATOM 1072 O O . THR A 1 71 ? -15.068 19.063 -16.184 1.0 13.52 ? 71 A 2 +ATOM 1073 C CB . THR A 1 71 ? -16.552 18.827 -13.595 1.0 4.41 ? 71 A 2 +ATOM 1074 O OG1 . THR A 1 71 ? -15.639 19.844 -13.166 1.0 4.41 ? 71 A 2 +ATOM 1075 C CG2 . THR A 1 71 ? -17.297 18.268 -12.393 1.0 4.35 ? 71 A 2 +ATOM 1076 H H . THR A 1 71 ? -13.961 18.271 -13.426 1.0 14.04 ? 71 A 2 +ATOM 1077 H HA . THR A 1 71 ? -16.348 16.793 -14.232 1.0 24.13 ? 71 A 2 +ATOM 1078 H HB . THR A 1 71 ? -17.27 19.263 -14.275 1.0 70.41 ? 71 A 2 +ATOM 1079 H HG1 . THR A 1 71 ? -16.115 20.512 -12.669 1.0 53.11 ? 71 A 2 +ATOM 1080 H HG21 . THR A 1 71 ? -16.753 17.426 -11.993 1.0 12.42 ? 71 A 2 +ATOM 1081 H HG22 . THR A 1 71 ? -18.283 17.948 -12.698 1.0 75.2 ? 71 A 2 +ATOM 1082 H HG23 . THR A 1 71 ? -17.385 19.033 -11.636 1.0 31.12 ? 71 A 2 +ATOM 1083 N N . LEU A 1 72 ? -16.323 17.256 -16.655 1.0 74.32 ? 72 A 2 +ATOM 1084 C CA . LEU A 1 72 ? -16.311 17.488 -18.096 1.0 62.12 ? 72 A 2 +ATOM 1085 C C . LEU A 1 72 ? -17.722 17.417 -18.67 1.0 14.1 ? 72 A 2 +ATOM 1086 O O . LEU A 1 72 ? -18.591 16.735 -18.127 1.0 22.33 ? 72 A 2 +ATOM 1087 C CB . LEU A 1 72 ? -15.413 16.462 -18.79 1.0 54.24 ? 72 A 2 +ATOM 1088 C CG . LEU A 1 72 ? -16.105 15.194 -19.29 1.0 12.34 ? 72 A 2 +ATOM 1089 C CD1 . LEU A 1 72 ? -16.437 15.316 -20.77 1.0 71.53 ? 72 A 2 +ATOM 1090 C CD2 . LEU A 1 72 ? -15.232 13.974 -19.036 1.0 45.31 ? 72 A 2 +ATOM 1091 H H . LEU A 1 72 ? -16.806 16.481 -16.301 1.0 40.44 ? 72 A 2 +ATOM 1092 H HA . LEU A 1 72 ? -15.914 18.477 -18.269 1.0 22.23 ? 72 A 2 +ATOM 1093 H HB2 . LEU A 1 72 ? -14.954 16.945 -19.639 1.0 24.33 ? 72 A 2 +ATOM 1094 H HB3 . LEU A 1 72 ? -14.646 16.167 -18.088 1.0 64.44 ? 72 A 2 +ATOM 1095 H HG . LEU A 1 72 ? -17.033 15.061 -18.751 1.0 60.22 ? 72 A 2 +ATOM 1096 H HD11 . LEU A 1 72 ? -16.247 14.373 -21.259 1.0 22.12 ? 72 A 2 +ATOM 1097 H HD12 . LEU A 1 72 ? -15.821 16.083 -21.215 1.0 11.12 ? 72 A 2 +ATOM 1098 H HD13 . LEU A 1 72 ? -17.478 15.579 -20.885 1.0 74.11 ? 72 A 2 +ATOM 1099 H HD21 . LEU A 1 72 ? -14.194 14.271 -19.018 1.0 45.11 ? 72 A 2 +ATOM 1100 H HD22 . LEU A 1 72 ? -15.387 13.251 -19.823 1.0 64.51 ? 72 A 2 +ATOM 1101 H HD23 . LEU A 1 72 ? -15.498 13.534 -18.085 1.0 15.53 ? 72 A 2 +ATOM 1102 N N . HIS A 1 73 ? -17.942 18.125 -19.774 1.0 22.1 ? 73 A 2 +ATOM 1103 C CA . HIS A 1 73 ? -19.247 18.14 -20.425 1.0 43.22 ? 73 A 2 +ATOM 1104 C C . HIS A 1 73 ? -19.288 17.15 -21.584 1.0 1.12 ? 73 A 2 +ATOM 1105 O O . HIS A 1 73 ? -18.504 17.252 -22.529 1.0 41.41 ? 73 A 2 +ATOM 1106 C CB . HIS A 1 73 ? -19.573 19.547 -20.928 1.0 34.11 ? 73 A 2 +ATOM 1107 C CG . HIS A 1 73 ? -21.032 19.768 -21.184 1.0 25.31 ? 73 A 2 +ATOM 1108 N ND1 . HIS A 1 73 ? -21.879 18.772 -21.622 1.0 22.31 ? 73 A 2 +ATOM 1109 C CD2 . HIS A 1 73 ? -21.794 20.88 -21.06 1.0 30.12 ? 73 A 2 +ATOM 1110 C CE1 . HIS A 1 73 ? -23.098 19.261 -21.758 1.0 74.03 ? 73 A 2 +ATOM 1111 N NE2 . HIS A 1 73 ? -23.074 20.539 -21.423 1.0 22.32 ? 73 A 2 +ATOM 1112 H H . HIS A 1 73 ? -17.209 18.649 -20.16 1.0 41.1 ? 73 A 2 +ATOM 1113 H HA . HIS A 1 73 ? -19.986 17.849 -19.693 1.0 23.25 ? 73 A 2 +ATOM 1114 H HB2 . HIS A 1 73 ? -19.253 20.269 -20.191 1.0 51.13 ? 73 A 2 +ATOM 1115 H HB3 . HIS A 1 73 ? -19.043 19.724 -21.852 1.0 64.13 ? 73 A 2 +ATOM 1116 H HD1 . HIS A 1 73 ? -21.624 17.844 -21.807 1.0 63.31 ? 73 A 2 +ATOM 1117 H HD2 . HIS A 1 73 ? -21.459 21.855 -20.737 1.0 71.43 ? 73 A 2 +ATOM 1118 H HE1 . HIS A 1 73 ? -23.968 18.711 -22.086 1.0 3.34 ? 73 A 2 +ATOM 1119 N N . LEU A 1 74 ? -20.205 16.192 -21.507 1.0 31.4 ? 74 A 2 +ATOM 1120 C CA . LEU A 1 74 ? -20.347 15.183 -22.55 1.0 41.22 ? 74 A 2 +ATOM 1121 C C . LEU A 1 74 ? -21.636 15.393 -23.339 1.0 21.0 ? 74 A 2 +ATOM 1122 O O . LEU A 1 74 ? -22.734 15.309 -22.788 1.0 70.53 ? 74 A 2 +ATOM 1123 C CB . LEU A 1 74 ? -20.335 13.782 -21.936 1.0 42.32 ? 74 A 2 +ATOM 1124 C CG . LEU A 1 74 ? -20.901 12.661 -22.809 1.0 13.02 ? 74 A 2 +ATOM 1125 C CD1 . LEU A 1 74 ? -20.095 12.525 -24.091 1.0 50.12 ? 74 A 2 +ATOM 1126 C CD2 . LEU A 1 74 ? -20.916 11.345 -22.044 1.0 22.4 ? 74 A 2 +ATOM 1127 H H . LEU A 1 74 ? -20.801 16.163 -20.73 1.0 53.04 ? 74 A 2 +ATOM 1128 H HA . LEU A 1 74 ? -19.508 15.28 -23.222 1.0 65.43 ? 74 A 2 +ATOM 1129 H HB2 . LEU A 1 74 ? -19.311 13.533 -21.701 1.0 22.02 ? 74 A 2 +ATOM 1130 H HB3 . LEU A 1 74 ? -20.913 13.816 -21.023 1.0 20.31 ? 74 A 2 +ATOM 1131 H HG . LEU A 1 74 ? -21.919 12.904 -23.079 1.0 34.12 ? 74 A 2 +ATOM 1132 H HD11 . LEU A 1 74 ? -19.955 11.479 -24.319 1.0 33.01 ? 74 A 2 +ATOM 1133 H HD12 . LEU A 1 74 ? -19.133 12.998 -23.964 1.0 1.34 ? 74 A 2 +ATOM 1134 H HD13 . LEU A 1 74 ? -20.626 13.002 -24.902 1.0 63.14 ? 74 A 2 +ATOM 1135 H HD21 . LEU A 1 74 ? -21.576 10.649 -22.539 1.0 12.32 ? 74 A 2 +ATOM 1136 H HD22 . LEU A 1 74 ? -21.265 11.519 -21.037 1.0 54.43 ? 74 A 2 +ATOM 1137 H HD23 . LEU A 1 74 ? -19.917 10.936 -22.013 1.0 14.02 ? 74 A 2 +ATOM 1138 N N . VAL A 1 75 ? -21.494 15.664 -24.632 1.0 43.5 ? 75 A 2 +ATOM 1139 C CA . VAL A 1 75 ? -22.646 15.882 -25.499 1.0 52.32 ? 75 A 2 +ATOM 1140 C C . VAL A 1 75 ? -22.808 14.741 -26.496 1.0 61.15 ? 75 A 2 +ATOM 1141 O O . VAL A 1 75 ? -21.834 14.282 -27.095 1.0 54.31 ? 75 A 2 +ATOM 1142 C CB . VAL A 1 75 ? -22.525 17.21 -26.269 1.0 24.5 ? 75 A 2 +ATOM 1143 C CG1 . VAL A 1 75 ? -22.527 18.388 -25.307 1.0 55.3 ? 75 A 2 +ATOM 1144 C CG2 . VAL A 1 75 ? -21.269 17.215 -27.128 1.0 64.14 ? 75 A 2 +ATOM 1145 H H . VAL A 1 75 ? -20.593 15.717 -25.013 1.0 70.11 ? 75 A 2 +ATOM 1146 H HA . VAL A 1 75 ? -23.528 15.931 -24.876 1.0 60.52 ? 75 A 2 +ATOM 1147 H HB . VAL A 1 75 ? -23.381 17.304 -26.921 1.0 44.41 ? 75 A 2 +ATOM 1148 H HG11 . VAL A 1 75 ? -21.51 18.695 -25.111 1.0 31.54 ? 75 A 2 +ATOM 1149 H HG12 . VAL A 1 75 ? -23.074 19.21 -25.745 1.0 61.34 ? 75 A 2 +ATOM 1150 H HG13 . VAL A 1 75 ? -22.999 18.095 -24.381 1.0 54.52 ? 75 A 2 +ATOM 1151 H HG21 . VAL A 1 75 ? -21.375 16.495 -27.925 1.0 5.24 ? 75 A 2 +ATOM 1152 H HG22 . VAL A 1 75 ? -21.125 18.199 -27.547 1.0 61.35 ? 75 A 2 +ATOM 1153 H HG23 . VAL A 1 75 ? -20.415 16.955 -26.519 1.0 24.43 ? 75 A 2 +ATOM 1154 N N . LEU A 1 76 ? -24.044 14.287 -26.672 1.0 35.1 ? 76 A 2 +ATOM 1155 C CA . LEU A 1 76 ? -24.334 13.198 -27.599 1.0 22.53 ? 76 A 2 +ATOM 1156 C C . LEU A 1 76 ? -25.376 13.624 -28.629 1.0 2.14 ? 76 A 2 +ATOM 1157 O O . LEU A 1 76 ? -26.364 14.278 -28.293 1.0 21.5 ? 76 A 2 +ATOM 1158 C CB . LEU A 1 76 ? -24.829 11.969 -26.834 1.0 73.12 ? 76 A 2 +ATOM 1159 C CG . LEU A 1 76 ? -24.552 11.958 -25.33 1.0 64.45 ? 76 A 2 +ATOM 1160 C CD1 . LEU A 1 76 ? -25.678 12.648 -24.575 1.0 24.13 ? 76 A 2 +ATOM 1161 C CD2 . LEU A 1 76 ? -24.369 10.532 -24.832 1.0 22.03 ? 76 A 2 +ATOM 1162 H H . LEU A 1 76 ? -24.779 14.692 -26.167 1.0 44.32 ? 76 A 2 +ATOM 1163 H HA . LEU A 1 76 ? -23.419 12.948 -28.113 1.0 53.04 ? 76 A 2 +ATOM 1164 H HB2 . LEU A 1 76 ? -25.897 11.9 -26.974 1.0 71.31 ? 76 A 2 +ATOM 1165 H HB3 . LEU A 1 76 ? -24.354 11.099 -27.265 1.0 62.14 ? 76 A 2 +ATOM 1166 H HG . LEU A 1 76 ? -23.638 12.502 -25.135 1.0 42.11 ? 76 A 2 +ATOM 1167 H HD11 . LEU A 1 76 ? -25.513 13.715 -24.578 1.0 12.14 ? 76 A 2 +ATOM 1168 H HD12 . LEU A 1 76 ? -25.701 12.289 -23.557 1.0 23.21 ? 76 A 2 +ATOM 1169 H HD13 . LEU A 1 76 ? -26.621 12.428 -25.056 1.0 40.2 ? 76 A 2 +ATOM 1170 H HD21 . LEU A 1 76 ? -25.28 10.196 -24.361 1.0 53.24 ? 76 A 2 +ATOM 1171 H HD22 . LEU A 1 76 ? -23.561 10.503 -24.116 1.0 72.02 ? 76 A 2 +ATOM 1172 H HD23 . LEU A 1 76 ? -24.134 9.887 -25.666 1.0 63.4 ? 76 A 2 +ATOM 1173 N N . ARG A 1 77 ? -25.15 13.246 -29.882 1.0 50.44 ? 77 A 2 +ATOM 1174 C CA . ARG A 1 77 ? -26.069 13.587 -30.961 1.0 12.4 ? 77 A 2 +ATOM 1175 C C . ARG A 1 77 ? -26.678 12.33 -31.575 1.0 10.32 ? 77 A 2 +ATOM 1176 O O . ARG A 1 77 ? -26.558 12.092 -32.777 1.0 12.43 ? 77 A 2 +ATOM 1177 C CB . ARG A 1 77 ? -25.346 14.395 -32.04 1.0 55.35 ? 77 A 2 +ATOM 1178 C CG . ARG A 1 77 ? -24.049 13.758 -32.511 1.0 12.22 ? 77 A 2 +ATOM 1179 C CD . ARG A 1 77 ? -22.836 14.527 -32.01 1.0 60.22 ? 77 A 2 +ATOM 1180 N NE . ARG A 1 77 ? -22.513 15.661 -32.872 1.0 64.33 ? 77 A 2 +ATOM 1181 C CZ . ARG A 1 77 ? -21.654 16.617 -32.536 1.0 13.31 ? 77 A 2 +ATOM 1182 N NH1 . ARG A 1 77 ? -21.035 16.576 -31.364 1.0 63.3 ? 77 A 2 +ATOM 1183 N NH2 . ARG A 1 77 ? -21.412 17.617 -33.374 1.0 70.54 ? 77 A 2 +ATOM 1184 H H . ARG A 1 77 ? -24.345 12.726 -30.087 1.0 2.41 ? 77 A 2 +ATOM 1185 H HA . ARG A 1 77 ? -26.862 14.19 -30.543 1.0 53.23 ? 77 A 2 +ATOM 1186 H HB2 . ARG A 1 77 ? -25.999 14.501 -32.893 1.0 41.04 ? 77 A 2 +ATOM 1187 H HB3 . ARG A 1 77 ? -25.118 15.375 -31.647 1.0 23.23 ? 77 A 2 +ATOM 1188 H HG2 . ARG A 1 77 ? -23.999 12.746 -32.137 1.0 3.21 ? 77 A 2 +ATOM 1189 H HG3 . ARG A 1 77 ? -24.036 13.746 -33.591 1.0 45.32 ? 77 A 2 +ATOM 1190 H HD2 . ARG A 1 77 ? -23.044 14.891 -31.015 1.0 24.22 ? 77 A 2 +ATOM 1191 H HD3 . ARG A 1 77 ? -21.99 13.857 -31.979 1.0 55.12 ? 77 A 2 +ATOM 1192 H HE . ARG A 1 77 ? -22.959 15.711 -33.742 1.0 41.44 ? 77 A 2 +ATOM 1193 H HH11 . ARG A 1 77 ? -21.215 15.823 -30.731 1.0 31.24 ? 77 A 2 +ATOM 1194 H HH12 . ARG A 1 77 ? -20.388 17.297 -31.115 1.0 72.5 ? 77 A 2 +ATOM 1195 H HH21 . ARG A 1 77 ? -21.876 17.651 -34.259 1.0 71.34 ? 77 A 2 +ATOM 1196 H HH22 . ARG A 1 77 ? -20.766 18.336 -33.121 1.0 1.44 ? 77 A 2 +ATOM 1197 N N . LEU A 1 78 ? -27.332 11.528 -30.741 1.0 31.03 ? 78 A 2 +ATOM 1198 C CA . LEU A 1 78 ? -27.96 10.294 -31.201 1.0 51.32 ? 78 A 2 +ATOM 1199 C C . LEU A 1 78 ? -29.003 10.582 -32.277 1.0 14.11 ? 78 A 2 +ATOM 1200 O O . LEU A 1 78 ? -29.283 9.736 -33.125 1.0 12.31 ? 78 A 2 +ATOM 1201 C CB . LEU A 1 78 ? -28.611 9.562 -30.027 1.0 42.51 ? 78 A 2 +ATOM 1202 C CG . LEU A 1 78 ? -27.727 8.554 -29.291 1.0 51.45 ? 78 A 2 +ATOM 1203 C CD1 . LEU A 1 78 ? -26.535 9.254 -28.656 1.0 14.44 ? 78 A 2 +ATOM 1204 C CD2 . LEU A 1 78 ? -28.532 7.808 -28.238 1.0 25.32 ? 78 A 2 +ATOM 1205 H H . LEU A 1 78 ? -27.395 11.771 -29.794 1.0 75.31 ? 78 A 2 +ATOM 1206 H HA . LEU A 1 78 ? -27.189 9.668 -31.623 1.0 64.2 ? 78 A 2 +ATOM 1207 H HB2 . LEU A 1 78 ? -28.932 10.303 -29.312 1.0 61.14 ? 78 A 2 +ATOM 1208 H HB3 . LEU A 1 78 ? -29.473 9.032 -30.406 1.0 62.32 ? 78 A 2 +ATOM 1209 H HG . LEU A 1 78 ? -27.35 7.831 -30.0 1.0 53.42 ? 78 A 2 +ATOM 1210 H HD11 . LEU A 1 78 ? -26.412 8.906 -27.642 1.0 3.24 ? 78 A 2 +ATOM 1211 H HD12 . LEU A 1 78 ? -26.703 10.321 -28.654 1.0 74.14 ? 78 A 2 +ATOM 1212 H HD13 . LEU A 1 78 ? -25.643 9.032 -29.224 1.0 11.41 ? 78 A 2 +ATOM 1213 H HD21 . LEU A 1 78 ? -28.513 8.361 -27.311 1.0 65.32 ? 78 A 2 +ATOM 1214 H HD22 . LEU A 1 78 ? -28.101 6.83 -28.082 1.0 65.43 ? 78 A 2 +ATOM 1215 H HD23 . LEU A 1 78 ? -29.553 7.701 -28.574 1.0 34.04 ? 78 A 2 +ATOM 1216 N N . ARG A 1 79 ? -29.572 11.782 -32.236 1.0 44.5 ? 79 A 2 +ATOM 1217 C CA . ARG A 1 79 ? -30.583 12.182 -33.207 1.0 54.44 ? 79 A 2 +ATOM 1218 C C . ARG A 1 79 ? -29.991 12.245 -34.613 1.0 43.43 ? 79 A 2 +ATOM 1219 O O . ARG A 1 79 ? -29.402 13.251 -35.005 1.0 24.23 ? 79 A 2 +ATOM 1220 C CB . ARG A 1 79 ? -31.174 13.542 -32.83 1.0 53.1 ? 79 A 2 +ATOM 1221 C CG . ARG A 1 79 ? -31.617 13.632 -31.379 1.0 62.42 ? 79 A 2 +ATOM 1222 C CD . ARG A 1 79 ? -32.649 12.566 -31.045 1.0 15.2 ? 79 A 2 +ATOM 1223 N NE . ARG A 1 79 ? -33.716 12.506 -32.04 1.0 22.21 ? 79 A 2 +ATOM 1224 C CZ . ARG A 1 79 ? -34.568 11.492 -32.145 1.0 43.33 ? 79 A 2 +ATOM 1225 N NH1 . ARG A 1 79 ? -34.479 10.459 -31.319 1.0 51.34 ? 79 A 2 +ATOM 1226 N NH2 . ARG A 1 79 ? -35.513 11.511 -33.077 1.0 24.34 ? 79 A 2 +ATOM 1227 H H . ARG A 1 79 ? -29.306 12.414 -31.535 1.0 30.43 ? 79 A 2 +ATOM 1228 H HA . ARG A 1 79 ? -31.368 11.442 -33.193 1.0 75.12 ? 79 A 2 +ATOM 1229 H HB2 . ARG A 1 79 ? -30.43 14.306 -33.004 1.0 72.51 ? 79 A 2 +ATOM 1230 H HB3 . ARG A 1 79 ? -32.03 13.735 -33.458 1.0 62.3 ? 79 A 2 +ATOM 1231 H HG2 . ARG A 1 79 ? -30.757 13.496 -30.74 1.0 34.21 ? 79 A 2 +ATOM 1232 H HG3 . ARG A 1 79 ? -32.048 14.606 -31.204 1.0 51.44 ? 79 A 2 +ATOM 1233 H HD2 . ARG A 1 79 ? -32.156 11.606 -31.003 1.0 21.42 ? 79 A 2 +ATOM 1234 H HD3 . ARG A 1 79 ? -33.081 12.791 -30.081 1.0 24.22 ? 79 A 2 +ATOM 1235 H HE . ARG A 1 79 ? -33.8 13.259 -32.661 1.0 63.2 ? 79 A 2 +ATOM 1236 H HH11 . ARG A 1 79 ? -33.769 10.443 -30.615 1.0 0.03 ? 79 A 2 +ATOM 1237 H HH12 . ARG A 1 79 ? -35.122 9.698 -31.398 1.0 54.33 ? 79 A 2 +ATOM 1238 H HH21 . ARG A 1 79 ? -35.583 12.288 -33.701 1.0 72.3 ? 79 A 2 +ATOM 1239 H HH22 . ARG A 1 79 ? -36.153 10.748 -33.154 1.0 2.44 ? 79 A 2 +ATOM 1240 N N . GLY A 1 80 ? -30.152 11.161 -35.366 1.0 11.03 ? 80 A 2 +ATOM 1241 C CA . GLY A 1 80 ? -29.629 11.114 -36.719 1.0 3.12 ? 80 A 2 +ATOM 1242 C C . GLY A 1 80 ? -29.498 9.697 -37.241 1.0 52.34 ? 80 A 2 +ATOM 1243 O O . GLY A 1 80 ? -29.919 9.398 -38.358 1.0 43.44 ? 80 A 2 +ATOM 1244 H H . GLY A 1 80 ? -30.631 10.388 -35.001 1.0 0.24 ? 80 A 2 +ATOM 1245 H HA2 . GLY A 1 80 ? -30.29 11.667 -37.369 1.0 71.24 ? 80 A 2 +ATOM 1246 H HA3 . GLY A 1 80 ? -28.654 11.58 -36.732 1.0 43.14 ? 80 A 2 +ATOM 1247 N N . GLY A 1 81 ? -28.912 8.82 -36.43 1.0 43.34 ? 81 A 2 +ATOM 1248 C CA . GLY A 1 81 ? -28.737 7.438 -36.835 1.0 20.2 ? 81 A 2 +ATOM 1249 C C . GLY A 1 81 ? -28.335 6.542 -35.68 1.0 63.23 ? 81 A 2 +ATOM 1250 O O . GLY A 1 81 ? -28.272 6.986 -34.533 1.0 30.24 ? 81 A 2 +ATOM 1251 H H . GLY A 1 81 ? -28.597 9.115 -35.55 1.0 11.33 ? 81 A 2 +ATOM 1252 H HA2 . GLY A 1 81 ? -29.665 7.076 -37.252 1.0 30.51 ? 81 A 2 +ATOM 1253 H HA3 . GLY A 1 81 ? -27.97 7.392 -37.594 1.0 55.14 ? 81 A 2 +ATOM 1254 N N . VAL A 1 82 ? -28.064 5.276 -35.981 1.0 30.52 ? 82 A 2 +ATOM 1255 C CA . VAL A 1 82 ? -27.666 4.315 -34.959 1.0 4.45 ? 82 A 2 +ATOM 1256 C C . VAL A 1 82 ? -26.494 3.463 -35.432 1.0 63.52 ? 82 A 2 +ATOM 1257 O O . VAL A 1 82 ? -25.348 3.699 -35.049 1.0 12.52 ? 82 A 2 +ATOM 1258 C CB . VAL A 1 82 ? -28.836 3.391 -34.573 1.0 53.54 ? 82 A 2 +ATOM 1259 C CG1 . VAL A 1 82 ? -30.004 4.203 -34.036 1.0 33.31 ? 82 A 2 +ATOM 1260 C CG2 . VAL A 1 82 ? -29.265 2.549 -35.765 1.0 1.13 ? 82 A 2 +ATOM 1261 H H . VAL A 1 82 ? -28.131 4.982 -36.913 1.0 42.11 ? 82 A 2 +ATOM 1262 H HA . VAL A 1 82 ? -27.366 4.868 -34.08 1.0 65.12 ? 82 A 2 +ATOM 1263 H HB . VAL A 1 82 ? -28.5 2.725 -33.791 1.0 3.02 ? 82 A 2 +ATOM 1264 H HG11 . VAL A 1 82 ? -30.178 5.052 -34.68 1.0 71.54 ? 82 A 2 +ATOM 1265 H HG12 . VAL A 1 82 ? -30.889 3.585 -34.005 1.0 43.52 ? 82 A 2 +ATOM 1266 H HG13 . VAL A 1 82 ? -29.773 4.55 -33.039 1.0 60.31 ? 82 A 2 +ATOM 1267 H HG21 . VAL A 1 82 ? -30.08 1.903 -35.476 1.0 51.1 ? 82 A 2 +ATOM 1268 H HG22 . VAL A 1 82 ? -29.586 3.198 -36.566 1.0 43.42 ? 82 A 2 +ATOM 1269 H HG23 . VAL A 1 82 ? -28.432 1.948 -36.101 1.0 61.21 ? 82 A 2 +ATOM 1 N N . GLY A 1 1 ? -8.875 2.341 -1.267 1.0 13.0 ? 1 A 3 +ATOM 2 C CA . GLY A 1 1 ? -7.892 3.405 -1.179 1.0 45.03 ? 1 A 3 +ATOM 3 C C . GLY A 1 1 ? -6.752 3.223 -2.161 1.0 65.21 ? 1 A 3 +ATOM 4 O O . GLY A 1 1 ? -5.629 2.885 -1.786 1.0 33.34 ? 1 A 3 +ATOM 5 H H1 . GLY A 1 1 ? -9.512 2.325 -2.012 1.0 52.4 ? 1 A 3 +ATOM 6 H HA2 . GLY A 1 1 ? -8.379 4.348 -1.38 1.0 14.15 ? 1 A 3 +ATOM 7 H HA3 . GLY A 1 1 ? -7.489 3.426 -0.178 1.0 34.23 ? 1 A 3 +ATOM 8 N N . PRO A 1 2 ? -7.036 3.448 -3.453 1.0 55.32 ? 2 A 3 +ATOM 9 C CA . PRO A 1 2 ? -6.039 3.311 -4.518 1.0 21.43 ? 2 A 3 +ATOM 10 C C . PRO A 1 2 ? -4.976 4.403 -4.461 1.0 41.45 ? 2 A 3 +ATOM 11 O O . PRO A 1 2 ? -5.047 5.31 -3.631 1.0 62.42 ? 2 A 3 +ATOM 12 C CB . PRO A 1 2 ? -6.868 3.439 -5.799 1.0 51.45 ? 2 A 3 +ATOM 13 C CG . PRO A 1 2 ? -8.064 4.232 -5.398 1.0 43.11 ? 2 A 3 +ATOM 14 C CD . PRO A 1 2 ? -8.353 3.853 -3.972 1.0 64.14 ? 2 A 3 +ATOM 15 H HA . PRO A 1 2 ? -5.561 2.343 -4.492 1.0 31.54 ? 2 A 3 +ATOM 16 H HB2 . PRO A 1 2 ? -6.29 3.949 -6.556 1.0 42.4 ? 2 A 3 +ATOM 17 H HB3 . PRO A 1 2 ? -7.146 2.457 -6.152 1.0 62.54 ? 2 A 3 +ATOM 18 H HG2 . PRO A 1 2 ? -7.845 5.287 -5.469 1.0 3.22 ? 2 A 3 +ATOM 19 H HG3 . PRO A 1 2 ? -8.901 3.977 -6.031 1.0 51.14 ? 2 A 3 +ATOM 20 H HD2 . PRO A 1 2 ? -8.738 4.702 -3.427 1.0 11.0 ? 2 A 3 +ATOM 21 H HD3 . PRO A 1 2 ? -9.052 3.03 -3.935 1.0 24.12 ? 2 A 3 +ATOM 22 N N . LEU A 1 3 ? -3.991 4.31 -5.348 1.0 34.12 ? 3 A 3 +ATOM 23 C CA . LEU A 1 3 ? -2.913 5.291 -5.399 1.0 54.03 ? 3 A 3 +ATOM 24 C C . LEU A 1 3 ? -2.895 6.012 -6.743 1.0 63.21 ? 3 A 3 +ATOM 25 O O . LEU A 1 3 ? -3.255 7.185 -6.834 1.0 11.24 ? 3 A 3 +ATOM 26 C CB . LEU A 1 3 ? -1.565 4.61 -5.155 1.0 60.12 ? 3 A 3 +ATOM 27 C CG . LEU A 1 3 ? -0.919 4.867 -3.793 1.0 64.13 ? 3 A 3 +ATOM 28 C CD1 . LEU A 1 3 ? -0.508 6.325 -3.665 1.0 62.25 ? 3 A 3 +ATOM 29 C CD2 . LEU A 1 3 ? -1.87 4.478 -2.671 1.0 0.12 ? 3 A 3 +ATOM 30 H H . LEU A 1 3 ? -3.989 3.565 -5.984 1.0 52.35 ? 3 A 3 +ATOM 31 H HA . LEU A 1 3 ? -3.087 6.016 -4.617 1.0 43.13 ? 3 A 3 +ATOM 32 H HB2 . LEU A 1 3 ? -1.71 3.545 -5.257 1.0 74.24 ? 3 A 3 +ATOM 33 H HB3 . LEU A 1 3 ? -0.88 4.952 -5.918 1.0 72.41 ? 3 A 3 +ATOM 34 H HG . LEU A 1 3 ? -0.029 4.26 -3.704 1.0 43.5 ? 3 A 3 +ATOM 35 H HD11 . LEU A 1 3 ? -0.498 6.784 -4.641 1.0 50.45 ? 3 A 3 +ATOM 36 H HD12 . LEU A 1 3 ? 0.479 6.383 -3.229 1.0 4.34 ? 3 A 3 +ATOM 37 H HD13 . LEU A 1 3 ? -1.212 6.843 -3.03 1.0 54.42 ? 3 A 3 +ATOM 38 H HD21 . LEU A 1 3 ? -2.087 3.422 -2.733 1.0 23.33 ? 3 A 3 +ATOM 39 H HD22 . LEU A 1 3 ? -2.787 5.041 -2.764 1.0 1.01 ? 3 A 3 +ATOM 40 H HD23 . LEU A 1 3 ? -1.41 4.696 -1.718 1.0 75.24 ? 3 A 3 +ATOM 41 N N . GLY A 1 4 ? -2.476 5.301 -7.785 1.0 4.21 ? 4 A 3 +ATOM 42 C CA . GLY A 1 4 ? -2.421 5.889 -9.111 1.0 43.34 ? 4 A 3 +ATOM 43 C C . GLY A 1 4 ? -3.785 5.962 -9.769 1.0 32.24 ? 4 A 3 +ATOM 44 O O . GLY A 1 4 ? -4.185 7.013 -10.268 1.0 73.31 ? 4 A 3 +ATOM 45 H H . GLY A 1 4 ? -2.201 4.37 -7.653 1.0 2.13 ? 4 A 3 +ATOM 46 H HA2 . GLY A 1 4 ? -2.016 6.887 -9.034 1.0 53.5 ? 4 A 3 +ATOM 47 H HA3 . GLY A 1 4 ? -1.767 5.293 -9.73 1.0 61.41 ? 4 A 3 +ATOM 48 N N . SER A 1 5 ? -4.5 4.841 -9.772 1.0 14.33 ? 5 A 3 +ATOM 49 C CA . SER A 1 5 ? -5.824 4.781 -10.379 1.0 12.42 ? 5 A 3 +ATOM 50 C C . SER A 1 5 ? -6.705 5.919 -9.874 1.0 43.22 ? 5 A 3 +ATOM 51 O O . SER A 1 5 ? -6.554 6.382 -8.744 1.0 33.52 ? 5 A 3 +ATOM 52 C CB . SER A 1 5 ? -6.486 3.435 -10.076 1.0 72.02 ? 5 A 3 +ATOM 53 O OG . SER A 1 5 ? -5.703 2.36 -10.565 1.0 21.35 ? 5 A 3 +ATOM 54 H H . SER A 1 5 ? -4.126 4.035 -9.358 1.0 31.12 ? 5 A 3 +ATOM 55 H HA . SER A 1 5 ? -5.704 4.881 -11.447 1.0 12.32 ? 5 A 3 +ATOM 56 H HB2 . SER A 1 5 ? -6.6 3.326 -9.008 1.0 41.01 ? 5 A 3 +ATOM 57 H HB3 . SER A 1 5 ? -7.458 3.401 -10.547 1.0 74.13 ? 5 A 3 +ATOM 58 H HG . SER A 1 5 ? -6.01 1.538 -10.175 1.0 33.45 ? 5 A 3 +ATOM 59 N N . MET A 1 6 ? -7.626 6.366 -10.722 1.0 14.01 ? 6 A 3 +ATOM 60 C CA . MET A 1 6 ? -8.533 7.45 -10.362 1.0 54.33 ? 6 A 3 +ATOM 61 C C . MET A 1 6 ? -9.878 7.29 -11.065 1.0 31.44 ? 6 A 3 +ATOM 62 O O . MET A 1 6 ? -10.128 6.279 -11.721 1.0 1.11 ? 6 A 3 +ATOM 63 C CB . MET A 1 6 ? -7.915 8.802 -10.722 1.0 70.21 ? 6 A 3 +ATOM 64 C CG . MET A 1 6 ? -7.324 8.847 -12.122 1.0 25.05 ? 6 A 3 +ATOM 65 S SD . MET A 1 6 ? -5.539 9.103 -12.115 1.0 3.44 ? 6 A 3 +ATOM 66 C CE . MET A 1 6 ? -5.077 8.311 -13.653 1.0 13.21 ? 6 A 3 +ATOM 67 H H . MET A 1 6 ? -7.699 5.958 -11.61 1.0 2.32 ? 6 A 3 +ATOM 68 H HA . MET A 1 6 ? -8.691 7.409 -9.295 1.0 5.22 ? 6 A 3 +ATOM 69 H HB2 . MET A 1 6 ? -8.677 9.564 -10.652 1.0 62.43 ? 6 A 3 +ATOM 70 H HB3 . MET A 1 6 ? -7.128 9.025 -10.016 1.0 63.34 ? 6 A 3 +ATOM 71 H HG2 . MET A 1 6 ? -7.536 7.912 -12.618 1.0 33.13 ? 6 A 3 +ATOM 72 H HG3 . MET A 1 6 ? -7.788 9.656 -12.667 1.0 12.41 ? 6 A 3 +ATOM 73 H HE1 . MET A 1 6 ? -4.385 7.507 -13.45 1.0 12.23 ? 6 A 3 +ATOM 74 H HE2 . MET A 1 6 ? -5.959 7.913 -14.133 1.0 52.54 ? 6 A 3 +ATOM 75 H HE3 . MET A 1 6 ? -4.609 9.035 -14.304 1.0 2.41 ? 6 A 3 +ATOM 76 N N . GLN A 1 7 ? -10.738 8.293 -10.923 1.0 13.12 ? 7 A 3 +ATOM 77 C CA . GLN A 1 7 ? -12.057 8.261 -11.544 1.0 13.2 ? 7 A 3 +ATOM 78 C C . GLN A 1 7 ? -12.416 9.623 -12.13 1.0 42.42 ? 7 A 3 +ATOM 79 O O . GLN A 1 7 ? -11.892 10.651 -11.701 1.0 71.33 ? 7 A 3 +ATOM 80 C CB . GLN A 1 7 ? -13.115 7.837 -10.524 1.0 42.01 ? 7 A 3 +ATOM 81 C CG . GLN A 1 7 ? -12.694 6.653 -9.668 1.0 12.34 ? 7 A 3 +ATOM 82 C CD . GLN A 1 7 ? -12.207 7.069 -8.294 1.0 44.31 ? 7 A 3 +ATOM 83 O OE1 . GLN A 1 7 ? -12.018 8.255 -8.023 1.0 33.44 ? 7 A 3 +ATOM 84 N NE2 . GLN A 1 7 ? -12.0 6.093 -7.418 1.0 73.32 ? 7 A 3 +ATOM 85 H H . GLN A 1 7 ? -10.48 9.072 -10.388 1.0 71.21 ? 7 A 3 +ATOM 86 H HA . GLN A 1 7 ? -12.03 7.536 -12.343 1.0 62.03 ? 7 A 3 +ATOM 87 H HB2 . GLN A 1 7 ? -13.321 8.671 -9.87 1.0 13.25 ? 7 A 3 +ATOM 88 H HB3 . GLN A 1 7 ? -14.019 7.57 -11.05 1.0 41.42 ? 7 A 3 +ATOM 89 H HG2 . GLN A 1 7 ? -13.541 5.994 -9.548 1.0 43.33 ? 7 A 3 +ATOM 90 H HG3 . GLN A 1 7 ? -11.898 6.126 -10.173 1.0 33.21 ? 7 A 3 +ATOM 91 H HE21 . GLN A 1 7 ? -12.171 5.171 -7.705 1.0 52.01 ? 7 A 3 +ATOM 92 H HE22 . GLN A 1 7 ? -11.684 6.333 -6.523 1.0 55.43 ? 7 A 3 +ATOM 93 N N . ILE A 1 8 ? -13.31 9.622 -13.113 1.0 12.12 ? 8 A 3 +ATOM 94 C CA . ILE A 1 8 ? -13.739 10.857 -13.756 1.0 64.2 ? 8 A 3 +ATOM 95 C C . ILE A 1 8 ? -15.26 10.945 -13.819 1.0 0.33 ? 8 A 3 +ATOM 96 O O . ILE A 1 8 ? -15.954 9.931 -13.753 1.0 11.35 ? 8 A 3 +ATOM 97 C CB . ILE A 1 8 ? -13.169 10.976 -15.183 1.0 65.34 ? 8 A 3 +ATOM 98 C CG1 . ILE A 1 8 ? -12.306 9.757 -15.513 1.0 72.33 ? 8 A 3 +ATOM 99 C CG2 . ILE A 1 8 ? -12.363 12.258 -15.326 1.0 55.24 ? 8 A 3 +ATOM 100 C CD1 . ILE A 1 8 ? -11.873 9.698 -16.961 1.0 11.02 ? 8 A 3 +ATOM 101 H H . ILE A 1 8 ? -13.691 8.77 -13.411 1.0 43.45 ? 8 A 3 +ATOM 102 H HA . ILE A 1 8 ? -13.364 11.685 -13.171 1.0 41.41 ? 8 A 3 +ATOM 103 H HB . ILE A 1 8 ? -13.997 11.02 -15.874 1.0 13.24 ? 8 A 3 +ATOM 104 H HG12 . ILE A 1 8 ? -11.417 9.776 -14.902 1.0 4.11 ? 8 A 3 +ATOM 105 H HG13 . ILE A 1 8 ? -12.866 8.858 -15.297 1.0 33.41 ? 8 A 3 +ATOM 106 H HG21 . ILE A 1 8 ? -11.667 12.155 -16.146 1.0 12.11 ? 8 A 3 +ATOM 107 H HG22 . ILE A 1 8 ? -13.031 13.082 -15.523 1.0 14.43 ? 8 A 3 +ATOM 108 H HG23 . ILE A 1 8 ? -11.818 12.445 -14.413 1.0 53.13 ? 8 A 3 +ATOM 109 H HD11 . ILE A 1 8 ? -12.456 8.951 -17.482 1.0 4.51 ? 8 A 3 +ATOM 110 H HD12 . ILE A 1 8 ? -12.029 10.661 -17.424 1.0 22.53 ? 8 A 3 +ATOM 111 H HD13 . ILE A 1 8 ? -10.826 9.438 -17.015 1.0 32.23 ? 8 A 3 +ATOM 112 N N . PHE A 1 9 ? -15.771 12.165 -13.949 1.0 44.42 ? 9 A 3 +ATOM 113 C CA . PHE A 1 9 ? -17.211 12.386 -14.023 1.0 45.42 ? 9 A 3 +ATOM 114 C C . PHE A 1 9 ? -17.614 12.888 -15.406 1.0 62.05 ? 9 A 3 +ATOM 115 O O . PHE A 1 9 ? -17.078 13.879 -15.9 1.0 33.13 ? 9 A 3 +ATOM 116 C CB . PHE A 1 9 ? -17.648 13.392 -12.955 1.0 42.3 ? 9 A 3 +ATOM 117 C CG . PHE A 1 9 ? -17.593 12.845 -11.558 1.0 44.44 ? 9 A 3 +ATOM 118 C CD1 . PHE A 1 9 ? -16.376 12.561 -10.959 1.0 24.21 ? 9 A 3 +ATOM 119 C CD2 . PHE A 1 9 ? -18.757 12.615 -10.843 1.0 24.11 ? 9 A 3 +ATOM 120 C CE1 . PHE A 1 9 ? -16.323 12.057 -9.673 1.0 54.33 ? 9 A 3 +ATOM 121 C CE2 . PHE A 1 9 ? -18.71 12.112 -9.556 1.0 62.43 ? 9 A 3 +ATOM 122 C CZ . PHE A 1 9 ? -17.491 11.833 -8.97 1.0 72.21 ? 9 A 3 +ATOM 123 H H . PHE A 1 9 ? -15.166 12.935 -13.997 1.0 15.35 ? 9 A 3 +ATOM 124 H HA . PHE A 1 9 ? -17.7 11.442 -13.838 1.0 72.15 ? 9 A 3 +ATOM 125 H HB2 . PHE A 1 9 ? -17.002 14.256 -12.999 1.0 13.22 ? 9 A 3 +ATOM 126 H HB3 . PHE A 1 9 ? -18.665 13.697 -13.154 1.0 20.44 ? 9 A 3 +ATOM 127 H HD1 . PHE A 1 9 ? -15.462 12.736 -11.506 1.0 63.23 ? 9 A 3 +ATOM 128 H HD2 . PHE A 1 9 ? -19.712 12.833 -11.301 1.0 43.5 ? 9 A 3 +ATOM 129 H HE1 . PHE A 1 9 ? -15.368 11.84 -9.217 1.0 53.21 ? 9 A 3 +ATOM 130 H HE2 . PHE A 1 9 ? -19.625 11.938 -9.01 1.0 61.25 ? 9 A 3 +ATOM 131 H HZ . PHE A 1 9 ? -17.452 11.439 -7.966 1.0 11.33 ? 9 A 3 +ATOM 132 N N . VAL A 1 10 ? -18.564 12.195 -16.026 1.0 35.51 ? 10 A 3 +ATOM 133 C CA . VAL A 1 10 ? -19.041 12.569 -17.352 1.0 51.35 ? 10 A 3 +ATOM 134 C C . VAL A 1 10 ? -20.503 12.998 -17.31 1.0 20.3 ? 10 A 3 +ATOM 135 O O . VAL A 1 10 ? -21.348 12.31 -16.736 1.0 33.54 ? 10 A 3 +ATOM 136 C CB . VAL A 1 10 ? -18.888 11.407 -18.352 1.0 1.24 ? 10 A 3 +ATOM 137 C CG1 . VAL A 1 10 ? -18.647 11.939 -19.757 1.0 43.55 ? 10 A 3 +ATOM 138 C CG2 . VAL A 1 10 ? -17.76 10.481 -17.923 1.0 70.41 ? 10 A 3 +ATOM 139 H H . VAL A 1 10 ? -18.954 11.413 -15.581 1.0 13.11 ? 10 A 3 +ATOM 140 H HA . VAL A 1 10 ? -18.442 13.397 -17.701 1.0 52.2 ? 10 A 3 +ATOM 141 H HB . VAL A 1 10 ? -19.807 10.841 -18.359 1.0 21.21 ? 10 A 3 +ATOM 142 H HG11 . VAL A 1 10 ? -19.089 12.92 -19.85 1.0 75.22 ? 10 A 3 +ATOM 143 H HG12 . VAL A 1 10 ? -17.584 12.003 -19.94 1.0 54.41 ? 10 A 3 +ATOM 144 H HG13 . VAL A 1 10 ? -19.098 11.272 -20.476 1.0 61.31 ? 10 A 3 +ATOM 145 H HG21 . VAL A 1 10 ? -16.947 11.065 -17.518 1.0 13.24 ? 10 A 3 +ATOM 146 H HG22 . VAL A 1 10 ? -18.123 9.797 -17.17 1.0 62.44 ? 10 A 3 +ATOM 147 H HG23 . VAL A 1 10 ? -17.408 9.921 -18.778 1.0 2.35 ? 10 A 3 +ATOM 148 N N . LYS A 1 11 ? -20.796 14.141 -17.921 1.0 23.3 ? 11 A 3 +ATOM 149 C CA . LYS A 1 11 ? -22.157 14.663 -17.956 1.0 10.31 ? 11 A 3 +ATOM 150 C C . LYS A 1 11 ? -22.75 14.544 -19.356 1.0 22.12 ? 11 A 3 +ATOM 151 O O . LYS A 1 11 ? -22.28 15.183 -20.298 1.0 63.21 ? 11 A 3 +ATOM 152 C CB . LYS A 1 11 ? -22.175 16.126 -17.506 1.0 34.41 ? 11 A 3 +ATOM 153 C CG . LYS A 1 11 ? -23.485 16.837 -17.8 1.0 63.11 ? 11 A 3 +ATOM 154 C CD . LYS A 1 11 ? -23.442 18.29 -17.358 1.0 3.15 ? 11 A 3 +ATOM 155 C CE . LYS A 1 11 ? -23.025 19.207 -18.497 1.0 2.52 ? 11 A 3 +ATOM 156 N NZ . LYS A 1 11 ? -23.057 20.641 -18.095 1.0 51.12 ? 11 A 3 +ATOM 157 H H . LYS A 1 11 ? -20.079 14.645 -18.362 1.0 4.15 ? 11 A 3 +ATOM 158 H HA . LYS A 1 11 ? -22.755 14.078 -17.274 1.0 44.21 ? 11 A 3 +ATOM 159 H HB2 . LYS A 1 11 ? -22.0 16.164 -16.44 1.0 75.01 ? 11 A 3 +ATOM 160 H HB3 . LYS A 1 11 ? -21.381 16.656 -18.012 1.0 15.43 ? 11 A 3 +ATOM 161 H HG2 . LYS A 1 11 ? -23.673 16.801 -18.862 1.0 73.24 ? 11 A 3 +ATOM 162 H HG3 . LYS A 1 11 ? -24.283 16.333 -17.274 1.0 30.03 ? 11 A 3 +ATOM 163 H HD2 . LYS A 1 11 ? -24.424 18.583 -17.016 1.0 63.51 ? 11 A 3 +ATOM 164 H HD3 . LYS A 1 11 ? -22.733 18.39 -16.548 1.0 61.22 ? 11 A 3 +ATOM 165 H HE2 . LYS A 1 11 ? -22.021 18.95 -18.8 1.0 70.24 ? 11 A 3 +ATOM 166 H HE3 . LYS A 1 11 ? -23.7 19.059 -19.326 1.0 3.13 ? 11 A 3 +ATOM 167 H HZ1 . LYS A 1 11 ? -22.109 21.058 -18.182 1.0 1.34 ? 11 A 3 +ATOM 168 H HZ2 . LYS A 1 11 ? -23.374 20.728 -17.108 1.0 61.44 ? 11 A 3 +ATOM 169 H HZ3 . LYS A 1 11 ? -23.713 21.168 -18.705 1.0 12.11 ? 11 A 3 +ATOM 170 N N . THR A 1 12 ? -23.788 13.723 -19.486 1.0 60.33 ? 12 A 3 +ATOM 171 C CA . THR A 1 12 ? -24.445 13.52 -20.771 1.0 63.11 ? 12 A 3 +ATOM 172 C C . THR A 1 12 ? -25.282 14.734 -21.158 1.0 63.2 ? 12 A 3 +ATOM 173 O O . THR A 1 12 ? -25.654 15.542 -20.305 1.0 23.14 ? 12 A 3 +ATOM 174 C CB . THR A 1 12 ? -25.35 12.274 -20.749 1.0 13.53 ? 12 A 3 +ATOM 175 O OG1 . THR A 1 12 ? -26.528 12.537 -19.979 1.0 44.22 ? 12 A 3 +ATOM 176 C CG2 . THR A 1 12 ? -24.611 11.08 -20.163 1.0 44.25 ? 12 A 3 +ATOM 177 H H . THR A 1 12 ? -24.117 13.241 -18.699 1.0 50.31 ? 12 A 3 +ATOM 178 H HA . THR A 1 12 ? -23.679 13.371 -21.518 1.0 15.31 ? 12 A 3 +ATOM 179 H HB . THR A 1 12 ? -25.637 12.038 -21.764 1.0 3.11 ? 12 A 3 +ATOM 180 H HG1 . THR A 1 12 ? -27.293 12.171 -20.43 1.0 54.01 ? 12 A 3 +ATOM 181 H HG21 . THR A 1 12 ? -25.26 10.217 -20.17 1.0 54.24 ? 12 A 3 +ATOM 182 H HG22 . THR A 1 12 ? -24.318 11.301 -19.147 1.0 51.32 ? 12 A 3 +ATOM 183 H HG23 . THR A 1 12 ? -23.732 10.874 -20.755 1.0 74.05 ? 12 A 3 +ATOM 184 N N . LEU A 1 13 ? -25.576 14.858 -22.447 1.0 74.21 ? 13 A 3 +ATOM 185 C CA . LEU A 1 13 ? -26.371 15.974 -22.947 1.0 74.52 ? 13 A 3 +ATOM 186 C C . LEU A 1 13 ? -27.744 16.006 -22.282 1.0 25.21 ? 13 A 3 +ATOM 187 O O . LEU A 1 13 ? -28.424 17.033 -22.285 1.0 11.35 ? 13 A 3 +ATOM 188 C CB . LEU A 1 13 ? -26.529 15.874 -24.465 1.0 31.51 ? 13 A 3 +ATOM 189 C CG . LEU A 1 13 ? -27.088 17.113 -25.165 1.0 30.32 ? 13 A 3 +ATOM 190 C CD1 . LEU A 1 13 ? -25.993 18.148 -25.374 1.0 44.31 ? 13 A 3 +ATOM 191 C CD2 . LEU A 1 13 ? -27.726 16.733 -26.494 1.0 64.01 ? 13 A 3 +ATOM 192 H H . LEU A 1 13 ? -25.252 14.183 -23.079 1.0 42.02 ? 13 A 3 +ATOM 193 H HA . LEU A 1 13 ? -25.847 16.888 -22.707 1.0 34.1 ? 13 A 3 +ATOM 194 H HB2 . LEU A 1 13 ? -25.557 15.667 -24.886 1.0 62.11 ? 13 A 3 +ATOM 195 H HB3 . LEU A 1 13 ? -27.193 15.047 -24.674 1.0 43.21 ? 13 A 3 +ATOM 196 H HG . LEU A 1 13 ? -27.852 17.558 -24.542 1.0 45.4 ? 13 A 3 +ATOM 197 H HD11 . LEU A 1 13 ? -26.34 19.112 -25.033 1.0 62.23 ? 13 A 3 +ATOM 198 H HD12 . LEU A 1 13 ? -25.747 18.204 -26.424 1.0 23.44 ? 13 A 3 +ATOM 199 H HD13 . LEU A 1 13 ? -25.116 17.861 -24.813 1.0 25.55 ? 13 A 3 +ATOM 200 H HD21 . LEU A 1 13 ? -27.155 15.94 -26.953 1.0 62.14 ? 13 A 3 +ATOM 201 H HD22 . LEU A 1 13 ? -27.737 17.594 -27.146 1.0 41.34 ? 13 A 3 +ATOM 202 H HD23 . LEU A 1 13 ? -28.739 16.398 -26.324 1.0 51.42 ? 13 A 3 +ATOM 203 N N . THR A 1 14 ? -28.145 14.875 -21.711 1.0 31.41 ? 14 A 3 +ATOM 204 C CA . THR A 1 14 ? -29.436 14.773 -21.041 1.0 30.33 ? 14 A 3 +ATOM 205 C C . THR A 1 14 ? -29.319 15.133 -19.564 1.0 22.13 ? 14 A 3 +ATOM 206 O O . THR A 1 14 ? -30.271 14.981 -18.801 1.0 5.31 ? 14 A 3 +ATOM 207 C CB . THR A 1 14 ? -30.024 13.355 -21.168 1.0 34.54 ? 14 A 3 +ATOM 208 O OG1 . THR A 1 14 ? -29.213 12.422 -20.445 1.0 3.22 ? 14 A 3 +ATOM 209 C CG2 . THR A 1 14 ? -30.113 12.935 -22.627 1.0 34.11 ? 14 A 3 +ATOM 210 H H . THR A 1 14 ? -27.559 14.091 -21.741 1.0 2.31 ? 14 A 3 +ATOM 211 H HA . THR A 1 14 ? -30.114 15.466 -21.517 1.0 25.44 ? 14 A 3 +ATOM 212 H HB . THR A 1 14 ? -31.02 13.356 -20.747 1.0 55.24 ? 14 A 3 +ATOM 213 H HG1 . THR A 1 14 ? -29.368 12.526 -19.503 1.0 24.42 ? 14 A 3 +ATOM 214 H HG21 . THR A 1 14 ? -30.121 13.813 -23.254 1.0 1.02 ? 14 A 3 +ATOM 215 H HG22 . THR A 1 14 ? -31.021 12.372 -22.785 1.0 12.23 ? 14 A 3 +ATOM 216 H HG23 . THR A 1 14 ? -29.26 12.321 -22.877 1.0 12.42 ? 14 A 3 +ATOM 217 N N . GLY A 1 15 ? -28.143 15.611 -19.167 1.0 61.2 ? 15 A 3 +ATOM 218 C CA . GLY A 1 15 ? -27.924 15.985 -17.782 1.0 25.44 ? 15 A 3 +ATOM 219 C C . GLY A 1 15 ? -27.82 14.782 -16.866 1.0 2.34 ? 15 A 3 +ATOM 220 O O . GLY A 1 15 ? -28.571 14.662 -15.898 1.0 24.03 ? 15 A 3 +ATOM 221 H H . GLY A 1 15 ? -27.419 15.71 -19.82 1.0 73.22 ? 15 A 3 +ATOM 222 H HA2 . GLY A 1 15 ? -27.009 16.555 -17.716 1.0 10.15 ? 15 A 3 +ATOM 223 H HA3 . GLY A 1 15 ? -28.746 16.603 -17.454 1.0 23.53 ? 15 A 3 +ATOM 224 N N . LYS A 1 16 ? -26.888 13.886 -17.172 1.0 11.21 ? 16 A 3 +ATOM 225 C CA . LYS A 1 16 ? -26.688 12.685 -16.37 1.0 34.13 ? 16 A 3 +ATOM 226 C C . LYS A 1 16 ? -25.243 12.586 -15.89 1.0 15.24 ? 16 A 3 +ATOM 227 O O . LYS A 1 16 ? -24.314 12.512 -16.694 1.0 50.04 ? 16 A 3 +ATOM 228 C CB . LYS A 1 16 ? -27.053 11.439 -17.18 1.0 31.42 ? 16 A 3 +ATOM 229 C CG . LYS A 1 16 ? -27.658 10.325 -16.343 1.0 73.35 ? 16 A 3 +ATOM 230 C CD . LYS A 1 16 ? -26.585 9.413 -15.771 1.0 50.3 ? 16 A 3 +ATOM 231 C CE . LYS A 1 16 ? -25.896 8.61 -16.863 1.0 52.44 ? 16 A 3 +ATOM 232 N NZ . LYS A 1 16 ? -26.284 7.173 -16.823 1.0 2.53 ? 16 A 3 +ATOM 233 H H . LYS A 1 16 ? -26.319 14.037 -17.957 1.0 52.54 ? 16 A 3 +ATOM 234 H HA . LYS A 1 16 ? -27.337 12.748 -15.51 1.0 34.34 ? 16 A 3 +ATOM 235 H HB2 . LYS A 1 16 ? -27.767 11.716 -17.942 1.0 44.24 ? 16 A 3 +ATOM 236 H HB3 . LYS A 1 16 ? -26.161 11.059 -17.656 1.0 12.13 ? 16 A 3 +ATOM 237 H HG2 . LYS A 1 16 ? -28.216 10.761 -15.528 1.0 3.41 ? 16 A 3 +ATOM 238 H HG3 . LYS A 1 16 ? -28.321 9.74 -16.964 1.0 74.14 ? 16 A 3 +ATOM 239 H HD2 . LYS A 1 16 ? -25.847 10.015 -15.262 1.0 63.23 ? 16 A 3 +ATOM 240 H HD3 . LYS A 1 16 ? -27.043 8.731 -15.068 1.0 14.51 ? 16 A 3 +ATOM 241 H HE2 . LYS A 1 16 ? -26.169 9.022 -17.822 1.0 44.12 ? 16 A 3 +ATOM 242 H HE3 . LYS A 1 16 ? -24.827 8.689 -16.729 1.0 75.31 ? 16 A 3 +ATOM 243 H HZ1 . LYS A 1 16 ? -26.977 7.01 -16.065 1.0 61.55 ? 16 A 3 +ATOM 244 H HZ2 . LYS A 1 16 ? -25.447 6.581 -16.646 1.0 23.15 ? 16 A 3 +ATOM 245 H HZ3 . LYS A 1 16 ? -26.706 6.892 -17.731 1.0 43.23 ? 16 A 3 +ATOM 246 N N . THR A 1 17 ? -25.061 12.584 -14.573 1.0 33.03 ? 17 A 3 +ATOM 247 C CA . THR A 1 17 ? -23.731 12.493 -13.985 1.0 61.21 ? 17 A 3 +ATOM 248 C C . THR A 1 17 ? -23.31 11.04 -13.798 1.0 13.11 ? 17 A 3 +ATOM 249 O O . THR A 1 17 ? -23.954 10.287 -13.067 1.0 32.24 ? 17 A 3 +ATOM 250 C CB . THR A 1 17 ? -23.667 13.214 -12.625 1.0 22.54 ? 17 A 3 +ATOM 251 O OG1 . THR A 1 17 ? -24.959 13.21 -12.008 1.0 24.32 ? 17 A 3 +ATOM 252 C CG2 . THR A 1 17 ? -23.184 14.647 -12.794 1.0 72.42 ? 17 A 3 +ATOM 253 H H . THR A 1 17 ? -25.842 12.645 -13.983 1.0 63.53 ? 17 A 3 +ATOM 254 H HA . THR A 1 17 ? -23.036 12.975 -14.658 1.0 15.15 ? 17 A 3 +ATOM 255 H HB . THR A 1 17 ? -22.97 12.688 -11.989 1.0 61.22 ? 17 A 3 +ATOM 256 H HG1 . THR A 1 17 ? -24.873 12.949 -11.088 1.0 54.0 ? 17 A 3 +ATOM 257 H HG21 . THR A 1 17 ? -22.689 14.749 -13.748 1.0 31.34 ? 17 A 3 +ATOM 258 H HG22 . THR A 1 17 ? -22.492 14.889 -12.002 1.0 12.24 ? 17 A 3 +ATOM 259 H HG23 . THR A 1 17 ? -24.029 15.318 -12.753 1.0 74.01 ? 17 A 3 +ATOM 260 N N . ILE A 1 18 ? -22.226 10.653 -14.461 1.0 21.15 ? 18 A 3 +ATOM 261 C CA . ILE A 1 18 ? -21.719 9.289 -14.365 1.0 42.23 ? 18 A 3 +ATOM 262 C C . ILE A 1 18 ? -20.256 9.276 -13.934 1.0 2.02 ? 18 A 3 +ATOM 263 O O . ILE A 1 18 ? -19.463 10.114 -14.363 1.0 34.24 ? 18 A 3 +ATOM 264 C CB . ILE A 1 18 ? -21.854 8.543 -15.705 1.0 20.13 ? 18 A 3 +ATOM 265 C CG1 . ILE A 1 18 ? -21.079 7.225 -15.66 1.0 0.43 ? 18 A 3 +ATOM 266 C CG2 . ILE A 1 18 ? -21.361 9.415 -16.85 1.0 34.34 ? 18 A 3 +ATOM 267 C CD1 . ILE A 1 18 ? -21.335 6.332 -16.854 1.0 41.12 ? 18 A 3 +ATOM 268 H H . ILE A 1 18 ? -21.756 11.299 -15.028 1.0 72.35 ? 18 A 3 +ATOM 269 H HA . ILE A 1 18 ? -22.306 8.767 -13.624 1.0 33.1 ? 18 A 3 +ATOM 270 H HB . ILE A 1 18 ? -22.9 8.332 -15.87 1.0 55.23 ? 18 A 3 +ATOM 271 H HG12 . ILE A 1 18 ? -20.022 7.437 -15.627 1.0 35.45 ? 18 A 3 +ATOM 272 H HG13 . ILE A 1 18 ? -21.361 6.68 -14.771 1.0 15.51 ? 18 A 3 +ATOM 273 H HG21 . ILE A 1 18 ? -21.199 8.803 -17.725 1.0 31.24 ? 18 A 3 +ATOM 274 H HG22 . ILE A 1 18 ? -22.1 10.17 -17.071 1.0 60.32 ? 18 A 3 +ATOM 275 H HG23 . ILE A 1 18 ? -20.434 9.891 -16.567 1.0 71.44 ? 18 A 3 +ATOM 276 H HD11 . ILE A 1 18 ? -20.396 5.935 -17.215 1.0 32.31 ? 18 A 3 +ATOM 277 H HD12 . ILE A 1 18 ? -21.981 5.517 -16.563 1.0 60.24 ? 18 A 3 +ATOM 278 H HD13 . ILE A 1 18 ? -21.807 6.904 -17.638 1.0 25.35 ? 18 A 3 +ATOM 279 N N . THR A 1 19 ? -19.904 8.317 -13.083 1.0 42.32 ? 19 A 3 +ATOM 280 C CA . THR A 1 19 ? -18.537 8.193 -12.594 1.0 41.24 ? 19 A 3 +ATOM 281 C C . THR A 1 19 ? -17.882 6.917 -13.11 1.0 70.21 ? 19 A 3 +ATOM 282 O O . THR A 1 19 ? -18.51 5.858 -13.15 1.0 44.42 ? 19 A 3 +ATOM 283 C CB . THR A 1 19 ? -18.489 8.195 -11.055 1.0 2.4 ? 19 A 3 +ATOM 284 O OG1 . THR A 1 19 ? -19.681 8.787 -10.528 1.0 22.32 ? 19 A 3 +ATOM 285 C CG2 . THR A 1 19 ? -17.273 8.958 -10.552 1.0 13.14 ? 19 A 3 +ATOM 286 H H . THR A 1 19 ? -20.582 7.678 -12.778 1.0 1.15 ? 19 A 3 +ATOM 287 H HA . THR A 1 19 ? -17.976 9.044 -12.952 1.0 65.43 ? 19 A 3 +ATOM 288 H HB . THR A 1 19 ? -18.421 7.173 -10.71 1.0 44.24 ? 19 A 3 +ATOM 289 H HG1 . THR A 1 19 ? -19.899 9.573 -11.035 1.0 60.25 ? 19 A 3 +ATOM 290 H HG21 . THR A 1 19 ? -16.381 8.38 -10.744 1.0 73.33 ? 19 A 3 +ATOM 291 H HG22 . THR A 1 19 ? -17.369 9.13 -9.49 1.0 23.45 ? 19 A 3 +ATOM 292 H HG23 . THR A 1 19 ? -17.205 9.906 -11.066 1.0 51.03 ? 19 A 3 +ATOM 293 N N . ILE A 1 20 ? -16.617 7.023 -13.503 1.0 2.13 ? 20 A 3 +ATOM 294 C CA . ILE A 1 20 ? -15.878 5.876 -14.015 1.0 23.24 ? 20 A 3 +ATOM 295 C C . ILE A 1 20 ? -14.422 5.914 -13.561 1.0 21.51 ? 20 A 3 +ATOM 296 O O . ILE A 1 20 ? -13.753 6.942 -13.674 1.0 3.54 ? 20 A 3 +ATOM 297 C CB . ILE A 1 20 ? -15.923 5.818 -15.553 1.0 55.55 ? 20 A 3 +ATOM 298 C CG1 . ILE A 1 20 ? -15.886 7.23 -16.14 1.0 1.5 ? 20 A 3 +ATOM 299 C CG2 . ILE A 1 20 ? -17.168 5.078 -16.019 1.0 1.32 ? 20 A 3 +ATOM 300 C CD1 . ILE A 1 20 ? -15.143 7.319 -17.455 1.0 2.4 ? 20 A 3 +ATOM 301 H H . ILE A 1 20 ? -16.171 7.894 -13.447 1.0 32.52 ? 20 A 3 +ATOM 302 H HA . ILE A 1 20 ? -16.341 4.981 -13.627 1.0 40.32 ? 20 A 3 +ATOM 303 H HB . ILE A 1 20 ? -15.058 5.27 -15.896 1.0 75.22 ? 20 A 3 +ATOM 304 H HG12 . ILE A 1 20 ? -16.895 7.571 -16.307 1.0 4.24 ? 20 A 3 +ATOM 305 H HG13 . ILE A 1 20 ? -15.398 7.891 -15.438 1.0 20.02 ? 20 A 3 +ATOM 306 H HG21 . ILE A 1 20 ? -17.984 5.777 -16.123 1.0 41.11 ? 20 A 3 +ATOM 307 H HG22 . ILE A 1 20 ? -16.972 4.61 -16.972 1.0 51.34 ? 20 A 3 +ATOM 308 H HG23 . ILE A 1 20 ? -17.43 4.323 -15.293 1.0 74.34 ? 20 A 3 +ATOM 309 H HD11 . ILE A 1 20 ? -14.079 7.313 -17.268 1.0 44.23 ? 20 A 3 +ATOM 310 H HD12 . ILE A 1 20 ? -15.403 6.472 -18.074 1.0 43.31 ? 20 A 3 +ATOM 311 H HD13 . ILE A 1 20 ? -15.414 8.232 -17.962 1.0 23.14 ? 20 A 3 +ATOM 312 N N . ASP A 1 21 ? -13.938 4.788 -13.051 1.0 44.41 ? 21 A 3 +ATOM 313 C CA . ASP A 1 21 ? -12.56 4.69 -12.583 1.0 13.43 ? 21 A 3 +ATOM 314 C C . ASP A 1 21 ? -11.613 4.393 -13.741 1.0 74.52 ? 21 A 3 +ATOM 315 O O . ASP A 1 21 ? -11.738 3.368 -14.411 1.0 3.25 ? 21 A 3 +ATOM 316 C CB . ASP A 1 21 ? -12.438 3.603 -11.514 1.0 40.32 ? 21 A 3 +ATOM 317 C CG . ASP A 1 21 ? -12.884 2.244 -12.018 1.0 70.32 ? 21 A 3 +ATOM 318 O OD1 . ASP A 1 21 ? -14.108 2.008 -12.082 1.0 34.41 ? 21 A 3 +ATOM 319 O OD2 . ASP A 1 21 ? -12.008 1.416 -12.347 1.0 4.34 ? 21 A 3 +ATOM 320 H H . ASP A 1 21 ? -14.521 4.002 -12.988 1.0 61.24 ? 21 A 3 +ATOM 321 H HA . ASP A 1 21 ? -12.29 5.641 -12.148 1.0 0.1 ? 21 A 3 +ATOM 322 H HB2 . ASP A 1 21 ? -11.406 3.529 -11.202 1.0 73.15 ? 21 A 3 +ATOM 323 H HB3 . ASP A 1 21 ? -13.049 3.871 -10.665 1.0 61.23 ? 21 A 3 +ATOM 324 N N . VAL A 1 22 ? -10.665 5.296 -13.971 1.0 30.34 ? 22 A 3 +ATOM 325 C CA . VAL A 1 22 ? -9.696 5.131 -15.047 1.0 1.34 ? 22 A 3 +ATOM 326 C C . VAL A 1 22 ? -8.27 5.287 -14.532 1.0 61.2 ? 22 A 3 +ATOM 327 O O . VAL A 1 22 ? -8.045 5.844 -13.457 1.0 34.03 ? 22 A 3 +ATOM 328 C CB . VAL A 1 22 ? -9.936 6.147 -16.179 1.0 60.13 ? 22 A 3 +ATOM 329 C CG1 . VAL A 1 22 ? -11.384 6.613 -16.181 1.0 14.0 ? 22 A 3 +ATOM 330 C CG2 . VAL A 1 22 ? -8.987 7.329 -16.043 1.0 61.12 ? 22 A 3 +ATOM 331 H H . VAL A 1 22 ? -10.616 6.093 -13.402 1.0 71.0 ? 22 A 3 +ATOM 332 H HA . VAL A 1 22 ? -9.815 4.137 -15.454 1.0 41.13 ? 22 A 3 +ATOM 333 H HB . VAL A 1 22 ? -9.737 5.659 -17.122 1.0 23.42 ? 22 A 3 +ATOM 334 H HG11 . VAL A 1 22 ? -11.548 7.28 -15.348 1.0 3.13 ? 22 A 3 +ATOM 335 H HG12 . VAL A 1 22 ? -11.595 7.131 -17.106 1.0 11.12 ? 22 A 3 +ATOM 336 H HG13 . VAL A 1 22 ? -12.037 5.757 -16.091 1.0 2.3 ? 22 A 3 +ATOM 337 H HG21 . VAL A 1 22 ? -8.944 7.639 -15.01 1.0 43.3 ? 22 A 3 +ATOM 338 H HG22 . VAL A 1 22 ? -8.002 7.038 -16.374 1.0 71.52 ? 22 A 3 +ATOM 339 H HG23 . VAL A 1 22 ? -9.343 8.148 -16.651 1.0 24.41 ? 22 A 3 +ATOM 340 N N . ASP A 1 23 ? -7.31 4.793 -15.306 1.0 73.14 ? 23 A 3 +ATOM 341 C CA . ASP A 1 23 ? -5.904 4.879 -14.929 1.0 0.33 ? 23 A 3 +ATOM 342 C C . ASP A 1 23 ? -5.122 5.719 -15.934 1.0 62.12 ? 23 A 3 +ATOM 343 O O . ASP A 1 23 ? -5.577 5.946 -17.056 1.0 35.34 ? 23 A 3 +ATOM 344 C CB . ASP A 1 23 ? -5.294 3.48 -14.83 1.0 24.44 ? 23 A 3 +ATOM 345 C CG . ASP A 1 23 ? -4.363 3.336 -13.642 1.0 11.25 ? 23 A 3 +ATOM 346 O OD1 . ASP A 1 23 ? -3.876 4.372 -13.142 1.0 71.52 ? 23 A 3 +ATOM 347 O OD2 . ASP A 1 23 ? -4.122 2.189 -13.212 1.0 54.12 ? 23 A 3 +ATOM 348 H H . ASP A 1 23 ? -7.553 4.36 -16.151 1.0 71.31 ? 23 A 3 +ATOM 349 H HA . ASP A 1 23 ? -5.848 5.354 -13.961 1.0 62.03 ? 23 A 3 +ATOM 350 H HB2 . ASP A 1 23 ? -6.088 2.754 -14.732 1.0 75.32 ? 23 A 3 +ATOM 351 H HB3 . ASP A 1 23 ? -4.733 3.274 -15.731 1.0 32.1 ? 23 A 3 +ATOM 352 N N . HIS A 1 24 ? -3.944 6.178 -15.525 1.0 3.42 ? 24 A 3 +ATOM 353 C CA . HIS A 1 24 ? -3.098 6.993 -16.389 1.0 64.1 ? 24 A 3 +ATOM 354 C C . HIS A 1 24 ? -2.731 6.235 -17.662 1.0 13.22 ? 24 A 3 +ATOM 355 O O . HIS A 1 24 ? -2.305 6.832 -18.65 1.0 40.32 ? 24 A 3 +ATOM 356 C CB . HIS A 1 24 ? -1.829 7.414 -15.648 1.0 43.52 ? 24 A 3 +ATOM 357 C CG . HIS A 1 24 ? -0.854 6.295 -15.447 1.0 63.23 ? 24 A 3 +ATOM 358 N ND1 . HIS A 1 24 ? 0.433 6.321 -15.939 1.0 33.23 ? 24 A 3 +ATOM 359 C CD2 . HIS A 1 24 ? -0.985 5.112 -14.801 1.0 70.35 ? 24 A 3 +ATOM 360 C CE1 . HIS A 1 24 ? 1.052 5.202 -15.606 1.0 52.22 ? 24 A 3 +ATOM 361 N NE2 . HIS A 1 24 ? 0.214 4.452 -14.914 1.0 51.1 ? 24 A 3 +ATOM 362 H H . HIS A 1 24 ? -3.635 5.963 -14.62 1.0 35.01 ? 24 A 3 +ATOM 363 H HA . HIS A 1 24 ? -3.656 7.877 -16.66 1.0 52.33 ? 24 A 3 +ATOM 364 H HB2 . HIS A 1 24 ? -1.331 8.189 -16.211 1.0 74.33 ? 24 A 3 +ATOM 365 H HB3 . HIS A 1 24 ? -2.099 7.799 -14.675 1.0 2.24 ? 24 A 3 +ATOM 366 H HD1 . HIS A 1 24 ? 0.833 7.05 -16.457 1.0 61.24 ? 24 A 3 +ATOM 367 H HD2 . HIS A 1 24 ? -1.868 4.754 -14.291 1.0 14.35 ? 24 A 3 +ATOM 368 H HE1 . HIS A 1 24 ? 2.071 4.944 -15.855 1.0 73.24 ? 24 A 3 +ATOM 369 N N . ALA A 1 25 ? -2.899 4.917 -17.629 1.0 63.43 ? 25 A 3 +ATOM 370 C CA . ALA A 1 25 ? -2.587 4.078 -18.779 1.0 43.32 ? 25 A 3 +ATOM 371 C C . ALA A 1 25 ? -3.812 3.883 -19.665 1.0 33.54 ? 25 A 3 +ATOM 372 O O . ALA A 1 25 ? -3.779 3.113 -20.625 1.0 12.23 ? 25 A 3 +ATOM 373 C CB . ALA A 1 25 ? -2.046 2.733 -18.319 1.0 51.34 ? 25 A 3 +ATOM 374 H H . ALA A 1 25 ? -3.243 4.5 -16.812 1.0 55.41 ? 25 A 3 +ATOM 375 H HA . ALA A 1 25 ? -1.815 4.572 -19.352 1.0 23.12 ? 25 A 3 +ATOM 376 H HB1 . ALA A 1 25 ? -2.759 2.267 -17.654 1.0 42.21 ? 25 A 3 +ATOM 377 H HB2 . ALA A 1 25 ? -1.885 2.097 -19.178 1.0 3.14 ? 25 A 3 +ATOM 378 H HB3 . ALA A 1 25 ? -1.111 2.879 -17.8 1.0 44.44 ? 25 A 3 +ATOM 379 N N . ASP A 1 26 ? -4.891 4.585 -19.337 1.0 53.31 ? 26 A 3 +ATOM 380 C CA . ASP A 1 26 ? -6.128 4.489 -20.104 1.0 71.32 ? 26 A 3 +ATOM 381 C C . ASP A 1 26 ? -6.412 5.793 -20.843 1.0 31.24 ? 26 A 3 +ATOM 382 O O . ASP A 1 26 ? -6.595 6.843 -20.225 1.0 53.43 ? 26 A 3 +ATOM 383 C CB . ASP A 1 26 ? -7.299 4.145 -19.183 1.0 21.1 ? 26 A 3 +ATOM 384 C CG . ASP A 1 26 ? -7.126 2.801 -18.503 1.0 73.54 ? 26 A 3 +ATOM 385 O OD1 . ASP A 1 26 ? -7.359 1.768 -19.165 1.0 73.22 ? 26 A 3 +ATOM 386 O OD2 . ASP A 1 26 ? -6.758 2.782 -17.31 1.0 2.02 ? 26 A 3 +ATOM 387 H H . ASP A 1 26 ? -4.855 5.182 -18.561 1.0 73.33 ? 26 A 3 +ATOM 388 H HA . ASP A 1 26 ? -6.008 3.698 -20.829 1.0 35.3 ? 26 A 3 +ATOM 389 H HB2 . ASP A 1 26 ? -7.383 4.905 -18.419 1.0 71.15 ? 26 A 3 +ATOM 390 H HB3 . ASP A 1 26 ? -8.21 4.121 -19.763 1.0 51.4 ? 26 A 3 +ATOM 391 N N . THR A 1 27 ? -6.446 5.721 -22.17 1.0 11.22 ? 27 A 3 +ATOM 392 C CA . THR A 1 27 ? -6.705 6.895 -22.993 1.0 12.11 ? 27 A 3 +ATOM 393 C C . THR A 1 27 ? -8.199 7.178 -23.093 1.0 24.55 ? 27 A 3 +ATOM 394 O O . THR A 1 27 ? -9.025 6.355 -22.696 1.0 14.34 ? 27 A 3 +ATOM 395 C CB . THR A 1 27 ? -6.131 6.724 -24.412 1.0 24.42 ? 27 A 3 +ATOM 396 O OG1 . THR A 1 27 ? -6.188 5.347 -24.801 1.0 51.41 ? 27 A 3 +ATOM 397 C CG2 . THR A 1 27 ? -4.692 7.215 -24.477 1.0 72.22 ? 27 A 3 +ATOM 398 H H . THR A 1 27 ? -6.292 4.856 -22.604 1.0 1.33 ? 27 A 3 +ATOM 399 H HA . THR A 1 27 ? -6.218 7.741 -22.53 1.0 54.42 ? 27 A 3 +ATOM 400 H HB . THR A 1 27 ? -6.726 7.31 -25.098 1.0 51.23 ? 27 A 3 +ATOM 401 H HG1 . THR A 1 27 ? -7.069 5.143 -25.125 1.0 23.44 ? 27 A 3 +ATOM 402 H HG21 . THR A 1 27 ? -4.641 8.229 -24.111 1.0 20.21 ? 27 A 3 +ATOM 403 H HG22 . THR A 1 27 ? -4.346 7.183 -25.499 1.0 40.31 ? 27 A 3 +ATOM 404 H HG23 . THR A 1 27 ? -4.068 6.58 -23.866 1.0 53.14 ? 27 A 3 +ATOM 405 N N . VAL A 1 28 ? -8.541 8.347 -23.625 1.0 70.04 ? 28 A 3 +ATOM 406 C CA . VAL A 1 28 ? -9.938 8.738 -23.779 1.0 40.12 ? 28 A 3 +ATOM 407 C C . VAL A 1 28 ? -10.735 7.656 -24.499 1.0 43.3 ? 28 A 3 +ATOM 408 O O . VAL A 1 28 ? -11.825 7.283 -24.068 1.0 51.44 ? 28 A 3 +ATOM 409 C CB . VAL A 1 28 ? -10.068 10.061 -24.557 1.0 70.14 ? 28 A 3 +ATOM 410 C CG1 . VAL A 1 28 ? -11.457 10.653 -24.374 1.0 13.41 ? 28 A 3 +ATOM 411 C CG2 . VAL A 1 28 ? -8.997 11.046 -24.114 1.0 73.55 ? 28 A 3 +ATOM 412 H H . VAL A 1 28 ? -7.838 8.961 -23.923 1.0 50.23 ? 28 A 3 +ATOM 413 H HA . VAL A 1 28 ? -10.355 8.882 -22.792 1.0 62.42 ? 28 A 3 +ATOM 414 H HB . VAL A 1 28 ? -9.925 9.853 -25.607 1.0 52.41 ? 28 A 3 +ATOM 415 H HG11 . VAL A 1 28 ? -11.525 11.119 -23.402 1.0 72.32 ? 28 A 3 +ATOM 416 H HG12 . VAL A 1 28 ? -11.638 11.391 -25.142 1.0 75.12 ? 28 A 3 +ATOM 417 H HG13 . VAL A 1 28 ? -12.195 9.868 -24.448 1.0 43.12 ? 28 A 3 +ATOM 418 H HG21 . VAL A 1 28 ? -8.91 11.024 -23.038 1.0 22.23 ? 28 A 3 +ATOM 419 H HG22 . VAL A 1 28 ? -8.052 10.773 -24.558 1.0 21.24 ? 28 A 3 +ATOM 420 H HG23 . VAL A 1 28 ? -9.27 12.042 -24.433 1.0 51.43 ? 28 A 3 +ATOM 421 N N . GLY A 1 29 ? -10.183 7.156 -25.601 1.0 51.02 ? 29 A 3 +ATOM 422 C CA . GLY A 1 29 ? -10.856 6.122 -26.364 1.0 24.21 ? 29 A 3 +ATOM 423 C C . GLY A 1 29 ? -11.404 5.016 -25.484 1.0 62.32 ? 29 A 3 +ATOM 424 O O . GLY A 1 29 ? -12.575 4.653 -25.589 1.0 1.41 ? 29 A 3 +ATOM 425 H H . GLY A 1 29 ? -9.311 7.493 -25.897 1.0 25.44 ? 29 A 3 +ATOM 426 H HA2 . GLY A 1 29 ? -11.672 6.568 -26.913 1.0 33.14 ? 29 A 3 +ATOM 427 H HA3 . GLY A 1 29 ? -10.155 5.694 -27.065 1.0 61.11 ? 29 A 3 +ATOM 428 N N . ALA A 1 30 ? -10.554 4.477 -24.616 1.0 0.3 ? 30 A 3 +ATOM 429 C CA . ALA A 1 30 ? -10.959 3.406 -23.715 1.0 24.42 ? 30 A 3 +ATOM 430 C C . ALA A 1 30 ? -12.072 3.867 -22.779 1.0 23.15 ? 30 A 3 +ATOM 431 O O . ALA A 1 30 ? -12.967 3.095 -22.434 1.0 23.32 ? 30 A 3 +ATOM 432 C CB . ALA A 1 30 ? -9.765 2.91 -22.913 1.0 4.23 ? 30 A 3 +ATOM 433 H H . ALA A 1 30 ? -9.633 4.809 -24.58 1.0 13.0 ? 30 A 3 +ATOM 434 H HA . ALA A 1 30 ? -11.325 2.585 -24.315 1.0 42.35 ? 30 A 3 +ATOM 435 H HB1 . ALA A 1 30 ? -10.052 2.037 -22.344 1.0 24.3 ? 30 A 3 +ATOM 436 H HB2 . ALA A 1 30 ? -8.961 2.652 -23.587 1.0 15.25 ? 30 A 3 +ATOM 437 H HB3 . ALA A 1 30 ? -9.436 3.687 -22.24 1.0 54.13 ? 30 A 3 +ATOM 438 N N . VAL A 1 31 ? -12.009 5.13 -22.371 1.0 44.02 ? 31 A 3 +ATOM 439 C CA . VAL A 1 31 ? -13.012 5.695 -21.475 1.0 44.43 ? 31 A 3 +ATOM 440 C C . VAL A 1 31 ? -14.381 5.741 -22.143 1.0 22.33 ? 31 A 3 +ATOM 441 O O . VAL A 1 31 ? -15.39 5.371 -21.543 1.0 41.34 ? 31 A 3 +ATOM 442 C CB . VAL A 1 31 ? -12.625 7.115 -21.023 1.0 42.01 ? 31 A 3 +ATOM 443 C CG1 . VAL A 1 31 ? -13.765 7.76 -20.25 1.0 61.22 ? 31 A 3 +ATOM 444 C CG2 . VAL A 1 31 ? -11.355 7.08 -20.186 1.0 34.2 ? 31 A 3 +ATOM 445 H H . VAL A 1 31 ? -11.272 5.697 -22.68 1.0 33.11 ? 31 A 3 +ATOM 446 H HA . VAL A 1 31 ? -13.07 5.065 -20.6 1.0 53.53 ? 31 A 3 +ATOM 447 H HB . VAL A 1 31 ? -12.434 7.712 -21.903 1.0 34.14 ? 31 A 3 +ATOM 448 H HG11 . VAL A 1 31 ? -14.47 6.999 -19.949 1.0 24.43 ? 31 A 3 +ATOM 449 H HG12 . VAL A 1 31 ? -13.372 8.256 -19.375 1.0 62.24 ? 31 A 3 +ATOM 450 H HG13 . VAL A 1 31 ? -14.264 8.481 -20.88 1.0 4.44 ? 31 A 3 +ATOM 451 H HG21 . VAL A 1 31 ? -11.219 6.089 -19.779 1.0 32.4 ? 31 A 3 +ATOM 452 H HG22 . VAL A 1 31 ? -10.509 7.334 -20.806 1.0 31.51 ? 31 A 3 +ATOM 453 H HG23 . VAL A 1 31 ? -11.436 7.793 -19.378 1.0 2.41 ? 31 A 3 +ATOM 454 N N . LYS A 1 32 ? -14.41 6.199 -23.39 1.0 44.33 ? 32 A 3 +ATOM 455 C CA . LYS A 1 32 ? -15.656 6.294 -24.143 1.0 33.41 ? 32 A 3 +ATOM 456 C C . LYS A 1 32 ? -16.363 4.943 -24.195 1.0 33.52 ? 32 A 3 +ATOM 457 O O . LYS A 1 32 ? -17.582 4.864 -24.041 1.0 55.22 ? 32 A 3 +ATOM 458 C CB . LYS A 1 32 ? -15.381 6.792 -25.563 1.0 21.43 ? 32 A 3 +ATOM 459 C CG . LYS A 1 32 ? -16.03 8.13 -25.874 1.0 62.04 ? 32 A 3 +ATOM 460 C CD . LYS A 1 32 ? -15.025 9.267 -25.802 1.0 13.3 ? 32 A 3 +ATOM 461 C CE . LYS A 1 32 ? -14.634 9.754 -27.189 1.0 61.02 ? 32 A 3 +ATOM 462 N NZ . LYS A 1 32 ? -15.773 10.409 -27.889 1.0 10.13 ? 32 A 3 +ATOM 463 H H . LYS A 1 32 ? -13.572 6.48 -23.815 1.0 0.43 ? 32 A 3 +ATOM 464 H HA . LYS A 1 32 ? -16.295 7.002 -23.639 1.0 20.21 ? 32 A 3 +ATOM 465 H HB2 . LYS A 1 32 ? -14.314 6.894 -25.696 1.0 31.13 ? 32 A 3 +ATOM 466 H HB3 . LYS A 1 32 ? -15.755 6.062 -26.267 1.0 51.43 ? 32 A 3 +ATOM 467 H HG2 . LYS A 1 32 ? -16.446 8.095 -26.87 1.0 34.55 ? 32 A 3 +ATOM 468 H HG3 . LYS A 1 32 ? -16.818 8.312 -25.158 1.0 75.31 ? 32 A 3 +ATOM 469 H HD2 . LYS A 1 32 ? -15.462 10.089 -25.255 1.0 62.53 ? 32 A 3 +ATOM 470 H HD3 . LYS A 1 32 ? -14.139 8.922 -25.288 1.0 34.24 ? 32 A 3 +ATOM 471 H HE2 . LYS A 1 32 ? -13.826 10.464 -27.092 1.0 32.35 ? 32 A 3 +ATOM 472 H HE3 . LYS A 1 32 ? -14.302 8.909 -27.773 1.0 31.14 ? 32 A 3 +ATOM 473 H HZ1 . LYS A 1 32 ? -16.226 9.738 -28.541 1.0 3.34 ? 32 A 3 +ATOM 474 H HZ2 . LYS A 1 32 ? -15.435 11.229 -28.432 1.0 11.13 ? 32 A 3 +ATOM 475 H HZ3 . LYS A 1 32 ? -16.478 10.734 -27.197 1.0 13.55 ? 32 A 3 +ATOM 476 N N . ALA A 1 33 ? -15.591 3.884 -24.411 1.0 34.21 ? 33 A 3 +ATOM 477 C CA . ALA A 1 33 ? -16.144 2.537 -24.48 1.0 60.31 ? 33 A 3 +ATOM 478 C C . ALA A 1 33 ? -16.764 2.129 -23.147 1.0 31.03 ? 33 A 3 +ATOM 479 O O . ALA A 1 33 ? -17.83 1.514 -23.109 1.0 31.32 ? 33 A 3 +ATOM 480 C CB . ALA A 1 33 ? -15.066 1.544 -24.888 1.0 54.24 ? 33 A 3 +ATOM 481 H H . ALA A 1 33 ? -14.626 4.011 -24.526 1.0 43.1 ? 33 A 3 +ATOM 482 H HA . ALA A 1 33 ? -16.912 2.529 -25.24 1.0 53.01 ? 33 A 3 +ATOM 483 H HB1 . ALA A 1 33 ? -14.17 1.731 -24.315 1.0 2.33 ? 33 A 3 +ATOM 484 H HB2 . ALA A 1 33 ? -15.412 0.539 -24.698 1.0 61.23 ? 33 A 3 +ATOM 485 H HB3 . ALA A 1 33 ? -14.851 1.658 -25.94 1.0 53.23 ? 33 A 3 +ATOM 486 N N . LYS A 1 34 ? -16.09 2.475 -22.056 1.0 30.14 ? 34 A 3 +ATOM 487 C CA . LYS A 1 34 ? -16.574 2.147 -20.72 1.0 3.41 ? 34 A 3 +ATOM 488 C C . LYS A 1 34 ? -17.935 2.784 -20.463 1.0 51.04 ? 34 A 3 +ATOM 489 O O . LYS A 1 34 ? -18.841 2.142 -19.929 1.0 30.3 ? 34 A 3 +ATOM 490 C CB . LYS A 1 34 ? -15.572 2.614 -19.663 1.0 63.02 ? 34 A 3 +ATOM 491 C CG . LYS A 1 34 ? -15.963 2.237 -18.245 1.0 24.43 ? 34 A 3 +ATOM 492 C CD . LYS A 1 34 ? -15.881 0.736 -18.024 1.0 44.42 ? 34 A 3 +ATOM 493 C CE . LYS A 1 34 ? -14.45 0.233 -18.143 1.0 34.12 ? 34 A 3 +ATOM 494 N NZ . LYS A 1 34 ? -14.285 -1.117 -17.537 1.0 13.0 ? 34 A 3 +ATOM 495 H H . LYS A 1 34 ? -15.246 2.965 -22.151 1.0 65.25 ? 34 A 3 +ATOM 496 H HA . LYS A 1 34 ? -16.675 1.074 -20.659 1.0 3.22 ? 34 A 3 +ATOM 497 H HB2 . LYS A 1 34 ? -14.609 2.175 -19.877 1.0 71.03 ? 34 A 3 +ATOM 498 H HB3 . LYS A 1 34 ? -15.486 3.69 -19.716 1.0 71.12 ? 34 A 3 +ATOM 499 H HG2 . LYS A 1 34 ? -15.296 2.729 -17.553 1.0 24.23 ? 34 A 3 +ATOM 500 H HG3 . LYS A 1 34 ? -16.978 2.564 -18.062 1.0 22.21 ? 34 A 3 +ATOM 501 H HD2 . LYS A 1 34 ? -16.25 0.506 -17.035 1.0 63.43 ? 34 A 3 +ATOM 502 H HD3 . LYS A 1 34 ? -16.492 0.238 -18.763 1.0 75.33 ? 34 A 3 +ATOM 503 H HE2 . LYS A 1 34 ? -14.186 0.184 -19.189 1.0 34.14 ? 34 A 3 +ATOM 504 H HE3 . LYS A 1 34 ? -13.795 0.928 -17.639 1.0 0.12 ? 34 A 3 +ATOM 505 H HZ1 . LYS A 1 34 ? -15.139 -1.377 -17.005 1.0 62.42 ? 34 A 3 +ATOM 506 H HZ2 . LYS A 1 34 ? -13.471 -1.12 -16.89 1.0 14.2 ? 34 A 3 +ATOM 507 H HZ3 . LYS A 1 34 ? -14.124 -1.825 -18.281 1.0 65.2 ? 34 A 3 +ATOM 508 N N . ILE A 1 35 ? -18.073 4.049 -20.847 1.0 14.42 ? 35 A 3 +ATOM 509 C CA . ILE A 1 35 ? -19.325 4.771 -20.659 1.0 22.32 ? 35 A 3 +ATOM 510 C C . ILE A 1 35 ? -20.441 4.166 -21.504 1.0 74.31 ? 35 A 3 +ATOM 511 O O . ILE A 1 35 ? -21.592 4.094 -21.073 1.0 33.23 ? 35 A 3 +ATOM 512 C CB . ILE A 1 35 ? -19.175 6.261 -21.019 1.0 42.5 ? 35 A 3 +ATOM 513 C CG1 . ILE A 1 35 ? -18.031 6.888 -20.219 1.0 22.04 ? 35 A 3 +ATOM 514 C CG2 . ILE A 1 35 ? -20.478 7.003 -20.76 1.0 45.14 ? 35 A 3 +ATOM 515 C CD1 . ILE A 1 35 ? -18.219 6.795 -18.721 1.0 11.1 ? 35 A 3 +ATOM 516 H H . ILE A 1 35 ? -17.316 4.507 -21.266 1.0 54.44 ? 35 A 3 +ATOM 517 H HA . ILE A 1 35 ? -19.599 4.699 -19.616 1.0 30.01 ? 35 A 3 +ATOM 518 H HB . ILE A 1 35 ? -18.951 6.334 -22.072 1.0 2.44 ? 35 A 3 +ATOM 519 H HG12 . ILE A 1 35 ? -17.109 6.388 -20.469 1.0 3.24 ? 35 A 3 +ATOM 520 H HG13 . ILE A 1 35 ? -17.951 7.934 -20.48 1.0 0.11 ? 35 A 3 +ATOM 521 H HG21 . ILE A 1 35 ? -21.237 6.299 -20.45 1.0 65.32 ? 35 A 3 +ATOM 522 H HG22 . ILE A 1 35 ? -20.327 7.734 -19.981 1.0 43.1 ? 35 A 3 +ATOM 523 H HG23 . ILE A 1 35 ? -20.796 7.499 -21.664 1.0 75.41 ? 35 A 3 +ATOM 524 H HD11 . ILE A 1 35 ? -17.597 7.533 -18.234 1.0 43.52 ? 35 A 3 +ATOM 525 H HD12 . ILE A 1 35 ? -19.254 6.979 -18.475 1.0 71.15 ? 35 A 3 +ATOM 526 H HD13 . ILE A 1 35 ? -17.937 5.809 -18.383 1.0 74.3 ? 35 A 3 +ATOM 527 N N . TYR A 1 36 ? -20.092 3.73 -22.71 1.0 62.53 ? 36 A 3 +ATOM 528 C CA . TYR A 1 36 ? -21.064 3.131 -23.616 1.0 64.44 ? 36 A 3 +ATOM 529 C C . TYR A 1 36 ? -21.758 1.94 -22.962 1.0 53.42 ? 36 A 3 +ATOM 530 O O . TYR A 1 36 ? -22.979 1.801 -23.036 1.0 34.33 ? 36 A 3 +ATOM 531 C CB . TYR A 1 36 ? -20.38 2.689 -24.911 1.0 74.42 ? 36 A 3 +ATOM 532 C CG . TYR A 1 36 ? -20.765 1.295 -25.353 1.0 43.51 ? 36 A 3 +ATOM 533 C CD1 . TYR A 1 36 ? -22.021 1.036 -25.889 1.0 62.31 ? 36 A 3 +ATOM 534 C CD2 . TYR A 1 36 ? -19.872 0.237 -25.237 1.0 22.21 ? 36 A 3 +ATOM 535 C CE1 . TYR A 1 36 ? -22.377 -0.236 -26.293 1.0 25.24 ? 36 A 3 +ATOM 536 C CE2 . TYR A 1 36 ? -20.219 -1.038 -25.64 1.0 24.41 ? 36 A 3 +ATOM 537 C CZ . TYR A 1 36 ? -21.472 -1.27 -26.167 1.0 51.0 ? 36 A 3 +ATOM 538 O OH . TYR A 1 36 ? -21.822 -2.538 -26.57 1.0 31.41 ? 36 A 3 +ATOM 539 H H . TYR A 1 36 ? -19.16 3.815 -22.998 1.0 42.53 ? 36 A 3 +ATOM 540 H HA . TYR A 1 36 ? -21.806 3.881 -23.851 1.0 45.34 ? 36 A 3 +ATOM 541 H HB2 . TYR A 1 36 ? -20.646 3.372 -25.702 1.0 32.41 ? 36 A 3 +ATOM 542 H HB3 . TYR A 1 36 ? -19.31 2.708 -24.769 1.0 73.31 ? 36 A 3 +ATOM 543 H HD1 . TYR A 1 36 ? -22.727 1.848 -25.986 1.0 14.41 ? 36 A 3 +ATOM 544 H HD2 . TYR A 1 36 ? -18.891 0.421 -24.824 1.0 73.43 ? 36 A 3 +ATOM 545 H HE1 . TYR A 1 36 ? -23.358 -0.417 -26.706 1.0 30.0 ? 36 A 3 +ATOM 546 H HE2 . TYR A 1 36 ? -19.511 -1.848 -25.542 1.0 11.1 ? 36 A 3 +ATOM 547 H HH . TYR A 1 36 ? -21.032 -3.024 -26.819 1.0 20.21 ? 36 A 3 +ATOM 548 N N . ASP A 1 37 ? -20.97 1.085 -22.321 1.0 31.31 ? 37 A 3 +ATOM 549 C CA . ASP A 1 37 ? -21.507 -0.094 -21.65 1.0 4.3 ? 37 A 3 +ATOM 550 C C . ASP A 1 37 ? -22.2 0.29 -20.347 1.0 30.32 ? 37 A 3 +ATOM 551 O O . ASP A 1 37 ? -23.153 -0.363 -19.921 1.0 62.0 ? 37 A 3 +ATOM 552 C CB . ASP A 1 37 ? -20.391 -1.102 -21.372 1.0 35.43 ? 37 A 3 +ATOM 553 C CG . ASP A 1 37 ? -20.909 -2.521 -21.249 1.0 34.32 ? 37 A 3 +ATOM 554 O OD1 . ASP A 1 37 ? -21.504 -3.023 -22.226 1.0 31.12 ? 37 A 3 +ATOM 555 O OD2 . ASP A 1 37 ? -20.719 -3.131 -20.176 1.0 3.2 ? 37 A 3 +ATOM 556 H H . ASP A 1 37 ? -20.004 1.25 -22.296 1.0 51.42 ? 37 A 3 +ATOM 557 H HA . ASP A 1 37 ? -22.233 -0.548 -22.308 1.0 32.24 ? 37 A 3 +ATOM 558 H HB2 . ASP A 1 37 ? -19.675 -1.069 -22.18 1.0 43.14 ? 37 A 3 +ATOM 559 H HB3 . ASP A 1 37 ? -19.897 -0.836 -20.449 1.0 34.23 ? 37 A 3 +ATOM 560 N N . LYS A 1 38 ? -21.713 1.353 -19.715 1.0 33.03 ? 38 A 3 +ATOM 561 C CA . LYS A 1 38 ? -22.284 1.826 -18.459 1.0 33.5 ? 38 A 3 +ATOM 562 C C . LYS A 1 38 ? -23.784 2.065 -18.6 1.0 62.1 ? 38 A 3 +ATOM 563 O O . LYS A 1 38 ? -24.569 1.649 -17.749 1.0 13.24 ? 38 A 3 +ATOM 564 C CB . LYS A 1 38 ? -21.59 3.115 -18.013 1.0 32.13 ? 38 A 3 +ATOM 565 C CG . LYS A 1 38 ? -20.811 2.97 -16.718 1.0 11.13 ? 38 A 3 +ATOM 566 C CD . LYS A 1 38 ? -19.346 2.661 -16.98 1.0 55.11 ? 38 A 3 +ATOM 567 C CE . LYS A 1 38 ? -19.108 1.166 -17.12 1.0 12.13 ? 38 A 3 +ATOM 568 N NZ . LYS A 1 38 ? -18.473 0.588 -15.904 1.0 62.42 ? 38 A 3 +ATOM 569 H H . LYS A 1 38 ? -20.951 1.832 -20.104 1.0 40.1 ? 38 A 3 +ATOM 570 H HA . LYS A 1 38 ? -22.121 1.063 -17.713 1.0 13.43 ? 38 A 3 +ATOM 571 H HB2 . LYS A 1 38 ? -20.906 3.428 -18.788 1.0 53.44 ? 38 A 3 +ATOM 572 H HB3 . LYS A 1 38 ? -22.339 3.882 -17.875 1.0 74.35 ? 38 A 3 +ATOM 573 H HG2 . LYS A 1 38 ? -20.88 3.893 -16.162 1.0 72.35 ? 38 A 3 +ATOM 574 H HG3 . LYS A 1 38 ? -21.241 2.165 -16.138 1.0 65.33 ? 38 A 3 +ATOM 575 H HD2 . LYS A 1 38 ? -19.042 3.15 -17.893 1.0 31.44 ? 38 A 3 +ATOM 576 H HD3 . LYS A 1 38 ? -18.756 3.035 -16.155 1.0 51.13 ? 38 A 3 +ATOM 577 H HE2 . LYS A 1 38 ? -20.056 0.678 -17.288 1.0 72.24 ? 38 A 3 +ATOM 578 H HE3 . LYS A 1 38 ? -18.461 0.996 -17.969 1.0 52.14 ? 38 A 3 +ATOM 579 H HZ1 . LYS A 1 38 ? -19.198 0.372 -15.19 1.0 12.21 ? 38 A 3 +ATOM 580 H HZ2 . LYS A 1 38 ? -17.795 1.266 -15.499 1.0 31.3 ? 38 A 3 +ATOM 581 H HZ3 . LYS A 1 38 ? -17.968 -0.288 -16.146 1.0 72.13 ? 38 A 3 +ATOM 582 N N . GLU A 1 39 ? -24.173 2.736 -19.679 1.0 74.33 ? 39 A 3 +ATOM 583 C CA . GLU A 1 39 ? -25.579 3.029 -19.929 1.0 31.43 ? 39 A 3 +ATOM 584 C C . GLU A 1 39 ? -26.073 2.302 -21.178 1.0 55.55 ? 39 A 3 +ATOM 585 O O . GLU A 1 39 ? -27.069 1.581 -21.137 1.0 44.25 ? 39 A 3 +ATOM 586 C CB . GLU A 1 39 ? -25.789 4.536 -20.087 1.0 31.12 ? 39 A 3 +ATOM 587 C CG . GLU A 1 39 ? -24.713 5.217 -20.916 1.0 22.34 ? 39 A 3 +ATOM 588 C CD . GLU A 1 39 ? -24.791 6.73 -20.844 1.0 34.02 ? 39 A 3 +ATOM 589 O OE1 . GLU A 1 39 ? -25.874 7.253 -20.506 1.0 60.52 ? 39 A 3 +ATOM 590 O OE2 . GLU A 1 39 ? -23.769 7.39 -21.126 1.0 24.54 ? 39 A 3 +ATOM 591 H H . GLU A 1 39 ? -23.499 3.041 -20.321 1.0 53.12 ? 39 A 3 +ATOM 592 H HA . GLU A 1 39 ? -26.147 2.683 -19.079 1.0 24.23 ? 39 A 3 +ATOM 593 H HB2 . GLU A 1 39 ? -26.744 4.707 -20.563 1.0 13.32 ? 39 A 3 +ATOM 594 H HB3 . GLU A 1 39 ? -25.8 4.99 -19.107 1.0 53.15 ? 39 A 3 +ATOM 595 H HG2 . GLU A 1 39 ? -23.745 4.905 -20.553 1.0 73.51 ? 39 A 3 +ATOM 596 H HG3 . GLU A 1 39 ? -24.824 4.914 -21.946 1.0 55.55 ? 39 A 3 +ATOM 597 N N . GLY A 1 40 ? -25.367 2.499 -22.288 1.0 41.31 ? 40 A 3 +ATOM 598 C CA . GLY A 1 40 ? -25.748 1.858 -23.532 1.0 23.2 ? 40 A 3 +ATOM 599 C C . GLY A 1 40 ? -25.929 2.849 -24.664 1.0 54.31 ? 40 A 3 +ATOM 600 O O . GLY A 1 40 ? -26.94 2.822 -25.367 1.0 62.35 ? 40 A 3 +ATOM 601 H H . GLY A 1 40 ? -24.582 3.085 -22.261 1.0 1.31 ? 40 A 3 +ATOM 602 H HA2 . GLY A 1 40 ? -24.982 1.148 -23.808 1.0 42.33 ? 40 A 3 +ATOM 603 H HA3 . GLY A 1 40 ? -26.678 1.328 -23.381 1.0 42.25 ? 40 A 3 +ATOM 604 N N . ILE A 1 41 ? -24.948 3.729 -24.84 1.0 11.45 ? 41 A 3 +ATOM 605 C CA . ILE A 1 41 ? -25.005 4.734 -25.895 1.0 13.21 ? 41 A 3 +ATOM 606 C C . ILE A 1 41 ? -23.827 4.591 -26.853 1.0 73.14 ? 41 A 3 +ATOM 607 O O . ILE A 1 41 ? -22.771 4.063 -26.505 1.0 54.03 ? 41 A 3 +ATOM 608 C CB . ILE A 1 41 ? -25.009 6.16 -25.313 1.0 13.54 ? 41 A 3 +ATOM 609 C CG1 . ILE A 1 41 ? -23.926 6.301 -24.242 1.0 35.25 ? 41 A 3 +ATOM 610 C CG2 . ILE A 1 41 ? -26.378 6.492 -24.737 1.0 15.54 ? 41 A 3 +ATOM 611 C CD1 . ILE A 1 41 ? -23.074 7.541 -24.404 1.0 51.21 ? 41 A 3 +ATOM 612 H H . ILE A 1 41 ? -24.169 3.7 -24.248 1.0 10.31 ? 41 A 3 +ATOM 613 H HA . ILE A 1 41 ? -25.923 4.588 -26.445 1.0 22.4 ? 41 A 3 +ATOM 614 H HB . ILE A 1 41 ? -24.805 6.852 -26.115 1.0 2.22 ? 41 A 3 +ATOM 615 H HG12 . ILE A 1 41 ? -24.392 6.344 -23.271 1.0 53.25 ? 41 A 3 +ATOM 616 H HG13 . ILE A 1 41 ? -23.273 5.441 -24.286 1.0 73.21 ? 41 A 3 +ATOM 617 H HG21 . ILE A 1 41 ? -26.369 6.325 -23.67 1.0 41.34 ? 41 A 3 +ATOM 618 H HG22 . ILE A 1 41 ? -26.61 7.528 -24.936 1.0 35.01 ? 41 A 3 +ATOM 619 H HG23 . ILE A 1 41 ? -27.124 5.861 -25.194 1.0 24.24 ? 41 A 3 +ATOM 620 H HD11 . ILE A 1 41 ? -23.362 8.274 -23.663 1.0 13.35 ? 41 A 3 +ATOM 621 H HD12 . ILE A 1 41 ? -22.034 7.284 -24.269 1.0 5.02 ? 41 A 3 +ATOM 622 H HD13 . ILE A 1 41 ? -23.22 7.952 -25.391 1.0 73.01 ? 41 A 3 +ATOM 623 N N . PRO A 1 42 ? -24.01 5.076 -28.091 1.0 42.01 ? 42 A 3 +ATOM 624 C CA . PRO A 1 42 ? -22.973 5.016 -29.125 1.0 63.34 ? 42 A 3 +ATOM 625 C C . PRO A 1 42 ? -21.803 5.948 -28.827 1.0 4.23 ? 42 A 3 +ATOM 626 O O . PRO A 1 42 ? -21.939 7.172 -28.822 1.0 21.54 ? 42 A 3 +ATOM 627 C CB . PRO A 1 42 ? -23.707 5.467 -30.39 1.0 63.45 ? 42 A 3 +ATOM 628 C CG . PRO A 1 42 ? -24.832 6.31 -29.895 1.0 31.23 ? 42 A 3 +ATOM 629 C CD . PRO A 1 42 ? -25.243 5.719 -28.575 1.0 52.22 ? 42 A 3 +ATOM 630 H HA . PRO A 1 42 ? -22.604 4.01 -29.26 1.0 60.32 ? 42 A 3 +ATOM 631 H HB2 . PRO A 1 42 ? -23.034 6.034 -31.017 1.0 50.23 ? 42 A 3 +ATOM 632 H HB3 . PRO A 1 42 ? -24.068 4.604 -30.928 1.0 64.01 ? 42 A 3 +ATOM 633 H HG2 . PRO A 1 42 ? -24.497 7.328 -29.762 1.0 0.11 ? 42 A 3 +ATOM 634 H HG3 . PRO A 1 42 ? -25.653 6.273 -30.595 1.0 1.1 ? 42 A 3 +ATOM 635 H HD2 . PRO A 1 42 ? -25.565 6.495 -27.897 1.0 11.32 ? 42 A 3 +ATOM 636 H HD3 . PRO A 1 42 ? -26.027 4.99 -28.716 1.0 34.03 ? 42 A 3 +ATOM 637 N N . PRO A 1 43 ? -20.626 5.359 -28.572 1.0 1.41 ? 43 A 3 +ATOM 638 C CA . PRO A 1 43 ? -19.409 6.119 -28.27 1.0 62.53 ? 43 A 3 +ATOM 639 C C . PRO A 1 43 ? -18.88 6.873 -29.485 1.0 21.35 ? 43 A 3 +ATOM 640 O O . PRO A 1 43 ? -18.226 7.908 -29.348 1.0 73.42 ? 43 A 3 +ATOM 641 C CB . PRO A 1 43 ? -18.415 5.039 -27.837 1.0 74.43 ? 43 A 3 +ATOM 642 C CG . PRO A 1 43 ? -18.892 3.795 -28.503 1.0 42.11 ? 43 A 3 +ATOM 643 C CD . PRO A 1 43 ? -20.391 3.905 -28.561 1.0 32.53 ? 43 A 3 +ATOM 644 H HA . PRO A 1 43 ? -19.566 6.813 -27.457 1.0 3.1 ? 43 A 3 +ATOM 645 H HB2 . PRO A 1 43 ? -17.421 5.308 -28.166 1.0 1.2 ? 43 A 3 +ATOM 646 H HB3 . PRO A 1 43 ? -18.43 4.941 -26.762 1.0 52.2 ? 43 A 3 +ATOM 647 H HG2 . PRO A 1 43 ? -18.482 3.731 -29.499 1.0 21.5 ? 43 A 3 +ATOM 648 H HG3 . PRO A 1 43 ? -18.603 2.932 -27.921 1.0 41.32 ? 43 A 3 +ATOM 649 H HD2 . PRO A 1 43 ? -20.769 3.447 -29.463 1.0 55.24 ? 43 A 3 +ATOM 650 H HD3 . PRO A 1 43 ? -20.837 3.45 -27.689 1.0 31.14 ? 43 A 3 +ATOM 651 N N . ASP A 1 44 ? -19.167 6.35 -30.671 1.0 54.12 ? 44 A 3 +ATOM 652 C CA . ASP A 1 44 ? -18.721 6.976 -31.911 1.0 51.34 ? 44 A 3 +ATOM 653 C C . ASP A 1 44 ? -19.593 8.178 -32.257 1.0 65.34 ? 44 A 3 +ATOM 654 O O . ASP A 1 44 ? -19.22 9.009 -33.085 1.0 41.23 ? 44 A 3 +ATOM 655 C CB . ASP A 1 44 ? -18.748 5.963 -33.057 1.0 23.35 ? 44 A 3 +ATOM 656 C CG . ASP A 1 44 ? -17.963 6.435 -34.265 1.0 52.14 ? 44 A 3 +ATOM 657 O OD1 . ASP A 1 44 ? -16.892 7.049 -34.074 1.0 70.43 ? 44 A 3 +ATOM 658 O OD2 . ASP A 1 44 ? -18.418 6.188 -35.401 1.0 15.14 ? 44 A 3 +ATOM 659 H H . ASP A 1 44 ? -19.692 5.523 -30.715 1.0 64.31 ? 44 A 3 +ATOM 660 H HA . ASP A 1 44 ? -17.706 7.313 -31.765 1.0 72.42 ? 44 A 3 +ATOM 661 H HB2 . ASP A 1 44 ? -18.322 5.031 -32.715 1.0 64.21 ? 44 A 3 +ATOM 662 H HB3 . ASP A 1 44 ? -19.772 5.798 -33.358 1.0 74.33 ? 44 A 3 +ATOM 663 N N . GLN A 1 45 ? -20.756 8.263 -31.619 1.0 24.51 ? 45 A 3 +ATOM 664 C CA . GLN A 1 45 ? -21.682 9.363 -31.861 1.0 55.1 ? 45 A 3 +ATOM 665 C C . GLN A 1 45 ? -21.584 10.41 -30.757 1.0 65.33 ? 45 A 3 +ATOM 666 O O . GLN A 1 45 ? -22.113 11.514 -30.887 1.0 0.12 ? 45 A 3 +ATOM 667 C CB . GLN A 1 45 ? -23.115 8.839 -31.957 1.0 3.33 ? 45 A 3 +ATOM 668 C CG . GLN A 1 45 ? -23.515 8.413 -33.361 1.0 71.05 ? 45 A 3 +ATOM 669 C CD . GLN A 1 45 ? -24.592 7.347 -33.363 1.0 50.21 ? 45 A 3 +ATOM 670 O OE1 . GLN A 1 45 ? -25.745 7.612 -33.023 1.0 30.33 ? 45 A 3 +ATOM 671 N NE2 . GLN A 1 45 ? -24.221 6.131 -33.749 1.0 54.11 ? 45 A 3 +ATOM 672 H H . GLN A 1 45 ? -20.997 7.569 -30.97 1.0 33.14 ? 45 A 3 +ATOM 673 H HA . GLN A 1 45 ? -21.412 9.822 -32.8 1.0 54.13 ? 45 A 3 +ATOM 674 H HB2 . GLN A 1 45 ? -23.219 7.987 -31.303 1.0 72.22 ? 45 A 3 +ATOM 675 H HB3 . GLN A 1 45 ? -23.792 9.616 -31.634 1.0 51.24 ? 45 A 3 +ATOM 676 H HG2 . GLN A 1 45 ? -23.884 9.277 -33.894 1.0 11.31 ? 45 A 3 +ATOM 677 H HG3 . GLN A 1 45 ? -22.643 8.025 -33.867 1.0 33.23 ? 45 A 3 +ATOM 678 H HE21 . GLN A 1 45 ? -23.285 5.993 -34.005 1.0 35.4 ? 45 A 3 +ATOM 679 H HE22 . GLN A 1 45 ? -24.897 5.423 -33.759 1.0 53.4 ? 45 A 3 +ATOM 680 N N . GLN A 1 46 ? -20.904 10.057 -29.671 1.0 5.34 ? 46 A 3 +ATOM 681 C CA . GLN A 1 46 ? -20.738 10.967 -28.544 1.0 54.21 ? 46 A 3 +ATOM 682 C C . GLN A 1 46 ? -19.317 11.52 -28.496 1.0 23.33 ? 46 A 3 +ATOM 683 O O . GLN A 1 46 ? -18.389 10.924 -29.042 1.0 42.0 ? 46 A 3 +ATOM 684 C CB . GLN A 1 46 ? -21.064 10.252 -27.232 1.0 54.1 ? 46 A 3 +ATOM 685 C CG . GLN A 1 46 ? -20.028 9.213 -26.831 1.0 63.33 ? 46 A 3 +ATOM 686 C CD . GLN A 1 46 ? -19.19 9.652 -25.647 1.0 73.34 ? 46 A 3 +ATOM 687 O OE1 . GLN A 1 46 ? -18.213 10.386 -25.802 1.0 62.34 ? 46 A 3 +ATOM 688 N NE2 . GLN A 1 46 ? -19.567 9.205 -24.455 1.0 52.51 ? 46 A 3 +ATOM 689 H H . GLN A 1 46 ? -20.505 9.163 -29.627 1.0 61.13 ? 46 A 3 +ATOM 690 H HA . GLN A 1 46 ? -21.426 11.787 -28.677 1.0 1.54 ? 46 A 3 +ATOM 691 H HB2 . GLN A 1 46 ? -21.131 10.985 -26.443 1.0 70.34 ? 46 A 3 +ATOM 692 H HB3 . GLN A 1 46 ? -22.018 9.756 -27.333 1.0 24.41 ? 46 A 3 +ATOM 693 H HG2 . GLN A 1 46 ? -20.538 8.297 -26.571 1.0 71.34 ? 46 A 3 +ATOM 694 H HG3 . GLN A 1 46 ? -19.374 9.034 -27.671 1.0 12.44 ? 46 A 3 +ATOM 695 H HE21 . GLN A 1 46 ? -20.355 8.623 -24.408 1.0 61.21 ? 46 A 3 +ATOM 696 H HE22 . GLN A 1 46 ? -19.043 9.472 -23.673 1.0 54.41 ? 46 A 3 +ATOM 697 N N . ARG A 1 47 ? -19.155 12.664 -27.839 1.0 11.31 ? 47 A 3 +ATOM 698 C CA . ARG A 1 47 ? -17.848 13.299 -27.721 1.0 74.42 ? 47 A 3 +ATOM 699 C C . ARG A 1 47 ? -17.712 14.019 -26.383 1.0 0.05 ? 47 A 3 +ATOM 700 O O . ARG A 1 47 ? -18.707 14.297 -25.711 1.0 62.43 ? 47 A 3 +ATOM 701 C CB . ARG A 1 47 ? -17.633 14.288 -28.868 1.0 53.24 ? 47 A 3 +ATOM 702 C CG . ARG A 1 47 ? -17.167 13.633 -30.158 1.0 25.13 ? 47 A 3 +ATOM 703 C CD . ARG A 1 47 ? -18.297 13.531 -31.171 1.0 74.31 ? 47 A 3 +ATOM 704 N NE . ARG A 1 47 ? -17.842 12.987 -32.447 1.0 72.02 ? 47 A 3 +ATOM 705 C CZ . ARG A 1 47 ? -18.523 13.104 -33.581 1.0 4.33 ? 47 A 3 +ATOM 706 N NH1 . ARG A 1 47 ? -19.685 13.743 -33.598 1.0 22.33 ? 47 A 3 +ATOM 707 N NH2 . ARG A 1 47 ? -18.042 12.582 -34.703 1.0 24.44 ? 47 A 3 +ATOM 708 H H . ARG A 1 47 ? -19.934 13.092 -27.425 1.0 14.32 ? 47 A 3 +ATOM 709 H HA . ARG A 1 47 ? -17.097 12.526 -27.779 1.0 52.1 ? 47 A 3 +ATOM 710 H HB2 . ARG A 1 47 ? -18.563 14.801 -29.066 1.0 12.43 ? 47 A 3 +ATOM 711 H HB3 . ARG A 1 47 ? -16.889 15.011 -28.569 1.0 31.22 ? 47 A 3 +ATOM 712 H HG2 . ARG A 1 47 ? -16.37 14.223 -30.584 1.0 2.15 ? 47 A 3 +ATOM 713 H HG3 . ARG A 1 47 ? -16.804 12.64 -29.936 1.0 3.22 ? 47 A 3 +ATOM 714 H HD2 . ARG A 1 47 ? -19.065 12.886 -30.77 1.0 62.34 ? 47 A 3 +ATOM 715 H HD3 . ARG A 1 47 ? -18.705 14.517 -31.335 1.0 4.32 ? 47 A 3 +ATOM 716 H HE . ARG A 1 47 ? -16.986 12.511 -32.458 1.0 51.12 ? 47 A 3 +ATOM 717 H HH11 . ARG A 1 47 ? -20.049 14.138 -32.754 1.0 35.02 ? 47 A 3 +ATOM 718 H HH12 . ARG A 1 47 ? -20.195 13.831 -34.453 1.0 42.25 ? 47 A 3 +ATOM 719 H HH21 . ARG A 1 47 ? -17.167 12.1 -34.694 1.0 32.54 ? 47 A 3 +ATOM 720 H HH22 . ARG A 1 47 ? -18.556 12.671 -35.555 1.0 51.04 ? 47 A 3 +ATOM 721 N N . LEU A 1 48 ? -16.475 14.317 -26.0 1.0 13.42 ? 48 A 3 +ATOM 722 C CA . LEU A 1 48 ? -16.208 15.004 -24.742 1.0 63.04 ? 48 A 3 +ATOM 723 C C . LEU A 1 48 ? -15.834 16.463 -24.986 1.0 70.54 ? 48 A 3 +ATOM 724 O O . LEU A 1 48 ? -15.233 16.796 -26.007 1.0 13.22 ? 48 A 3 +ATOM 725 C CB . LEU A 1 48 ? -15.085 14.298 -23.981 1.0 73.22 ? 48 A 3 +ATOM 726 C CG . LEU A 1 48 ? -15.03 12.777 -24.125 1.0 23.01 ? 48 A 3 +ATOM 727 C CD1 . LEU A 1 48 ? -16.431 12.186 -24.088 1.0 2.23 ? 48 A 3 +ATOM 728 C CD2 . LEU A 1 48 ? -14.319 12.388 -25.413 1.0 62.5 ? 48 A 3 +ATOM 729 H H . LEU A 1 48 ? -15.724 14.07 -26.578 1.0 13.1 ? 48 A 3 +ATOM 730 H HA . LEU A 1 48 ? -17.11 14.971 -24.148 1.0 5.14 ? 48 A 3 +ATOM 731 H HB2 . LEU A 1 48 ? -14.146 14.697 -24.332 1.0 14.35 ? 48 A 3 +ATOM 732 H HB3 . LEU A 1 48 ? -15.202 14.528 -22.931 1.0 62.22 ? 48 A 3 +ATOM 733 H HG . LEU A 1 48 ? -14.472 12.363 -23.296 1.0 74.12 ? 48 A 3 +ATOM 734 H HD11 . LEU A 1 48 ? -17.088 12.851 -23.548 1.0 72.12 ? 48 A 3 +ATOM 735 H HD12 . LEU A 1 48 ? -16.404 11.226 -23.593 1.0 51.52 ? 48 A 3 +ATOM 736 H HD13 . LEU A 1 48 ? -16.795 12.06 -25.097 1.0 50.13 ? 48 A 3 +ATOM 737 H HD21 . LEU A 1 48 ? -15.047 12.243 -26.196 1.0 32.51 ? 48 A 3 +ATOM 738 H HD22 . LEU A 1 48 ? -13.769 11.472 -25.257 1.0 4.35 ? 48 A 3 +ATOM 739 H HD23 . LEU A 1 48 ? -13.635 13.174 -25.697 1.0 44.23 ? 48 A 3 +ATOM 740 N N . ILE A 1 49 ? -16.192 17.326 -24.041 1.0 13.31 ? 49 A 3 +ATOM 741 C CA . ILE A 1 49 ? -15.891 18.748 -24.153 1.0 13.25 ? 49 A 3 +ATOM 742 C C . ILE A 1 49 ? -15.462 19.326 -22.808 1.0 73.24 ? 49 A 3 +ATOM 743 O O . ILE A 1 49 ? -16.151 19.16 -21.801 1.0 20.41 ? 49 A 3 +ATOM 744 C CB . ILE A 1 49 ? -17.102 19.541 -24.678 1.0 42.12 ? 49 A 3 +ATOM 745 C CG1 . ILE A 1 49 ? -17.232 19.373 -26.193 1.0 21.4 ? 49 A 3 +ATOM 746 C CG2 . ILE A 1 49 ? -16.972 21.011 -24.311 1.0 44.11 ? 49 A 3 +ATOM 747 C CD1 . ILE A 1 49 ? -18.548 18.764 -26.623 1.0 30.32 ? 49 A 3 +ATOM 748 H H . ILE A 1 49 ? -16.669 16.999 -23.251 1.0 11.12 ? 49 A 3 +ATOM 749 H HA . ILE A 1 49 ? -15.079 18.862 -24.857 1.0 31.54 ? 49 A 3 +ATOM 750 H HB . ILE A 1 49 ? -17.991 19.154 -24.202 1.0 10.22 ? 49 A 3 +ATOM 751 H HG12 . ILE A 1 49 ? -17.144 20.339 -26.665 1.0 52.53 ? 49 A 3 +ATOM 752 H HG13 . ILE A 1 49 ? -16.437 18.731 -26.545 1.0 23.14 ? 49 A 3 +ATOM 753 H HG21 . ILE A 1 49 ? -15.927 21.287 -24.295 1.0 54.41 ? 49 A 3 +ATOM 754 H HG22 . ILE A 1 49 ? -17.49 21.612 -25.044 1.0 2.4 ? 49 A 3 +ATOM 755 H HG23 . ILE A 1 49 ? -17.403 21.18 -23.336 1.0 53.42 ? 49 A 3 +ATOM 756 H HD11 . ILE A 1 49 ? -19.209 19.545 -26.971 1.0 43.14 ? 49 A 3 +ATOM 757 H HD12 . ILE A 1 49 ? -18.374 18.059 -27.422 1.0 61.33 ? 49 A 3 +ATOM 758 H HD13 . ILE A 1 49 ? -19.001 18.256 -25.785 1.0 3.14 ? 49 A 3 +ATOM 759 N N . PHE A 1 50 ? -14.322 20.007 -22.8 1.0 0.44 ? 50 A 3 +ATOM 760 C CA . PHE A 1 50 ? -13.801 20.612 -21.579 1.0 63.4 ? 50 A 3 +ATOM 761 C C . PHE A 1 50 ? -13.689 22.127 -21.727 1.0 34.31 ? 50 A 3 +ATOM 762 O O . PHE A 1 50 ? -12.837 22.628 -22.459 1.0 24.03 ? 50 A 3 +ATOM 763 C CB . PHE A 1 50 ? -12.433 20.019 -21.234 1.0 1.31 ? 50 A 3 +ATOM 764 C CG . PHE A 1 50 ? -11.946 20.393 -19.864 1.0 63.44 ? 50 A 3 +ATOM 765 C CD1 . PHE A 1 50 ? -11.226 21.56 -19.664 1.0 63.22 ? 50 A 3 +ATOM 766 C CD2 . PHE A 1 50 ? -12.209 19.578 -18.774 1.0 31.12 ? 50 A 3 +ATOM 767 C CE1 . PHE A 1 50 ? -10.776 21.906 -18.404 1.0 44.05 ? 50 A 3 +ATOM 768 C CE2 . PHE A 1 50 ? -11.762 19.919 -17.512 1.0 53.14 ? 50 A 3 +ATOM 769 C CZ . PHE A 1 50 ? -11.046 21.085 -17.326 1.0 64.24 ? 50 A 3 +ATOM 770 H H . PHE A 1 50 ? -13.817 20.106 -23.635 1.0 32.43 ? 50 A 3 +ATOM 771 H HA . PHE A 1 50 ? -14.492 20.391 -20.78 1.0 55.42 ? 50 A 3 +ATOM 772 H HB2 . PHE A 1 50 ? -12.493 18.942 -21.282 1.0 72.21 ? 50 A 3 +ATOM 773 H HB3 . PHE A 1 50 ? -11.707 20.368 -21.953 1.0 52.42 ? 50 A 3 +ATOM 774 H HD1 . PHE A 1 50 ? -11.016 22.203 -20.506 1.0 64.41 ? 50 A 3 +ATOM 775 H HD2 . PHE A 1 50 ? -12.77 18.665 -18.919 1.0 25.0 ? 50 A 3 +ATOM 776 H HE1 . PHE A 1 50 ? -10.217 22.818 -18.261 1.0 33.34 ? 50 A 3 +ATOM 777 H HE2 . PHE A 1 50 ? -11.975 19.275 -16.671 1.0 34.14 ? 50 A 3 +ATOM 778 H HZ . PHE A 1 50 ? -10.695 21.353 -16.341 1.0 42.2 ? 50 A 3 +ATOM 779 N N . GLY A 1 51 ? -14.557 22.85 -21.026 1.0 53.44 ? 51 A 3 +ATOM 780 C CA . GLY A 1 51 ? -14.54 24.299 -21.094 1.0 33.5 ? 51 A 3 +ATOM 781 C C . GLY A 1 51 ? -15.101 24.826 -22.4 1.0 34.32 ? 51 A 3 +ATOM 782 O O . GLY A 1 51 ? -15.214 26.036 -22.592 1.0 0.02 ? 51 A 3 +ATOM 783 H H . GLY A 1 51 ? -15.215 22.395 -20.459 1.0 14.34 ? 51 A 3 +ATOM 784 H HA2 . GLY A 1 51 ? -15.126 24.694 -20.277 1.0 71.3 ? 51 A 3 +ATOM 785 H HA3 . GLY A 1 51 ? -13.521 24.641 -20.99 1.0 2.33 ? 51 A 3 +ATOM 786 N N . GLY A 1 52 ? -15.453 23.914 -23.301 1.0 51.33 ? 52 A 3 +ATOM 787 C CA . GLY A 1 52 ? -16.0 24.313 -24.585 1.0 70.11 ? 52 A 3 +ATOM 788 C C . GLY A 1 52 ? -15.309 23.627 -25.748 1.0 64.35 ? 52 A 3 +ATOM 789 O O . GLY A 1 52 ? -15.89 23.473 -26.822 1.0 21.12 ? 52 A 3 +ATOM 790 H H . GLY A 1 52 ? -15.34 22.963 -23.093 1.0 52.33 ? 52 A 3 +ATOM 791 H HA2 . GLY A 1 52 ? -17.051 24.067 -24.609 1.0 34.31 ? 52 A 3 +ATOM 792 H HA3 . GLY A 1 52 ? -15.888 25.382 -24.695 1.0 33.12 ? 52 A 3 +ATOM 793 N N . LYS A 1 53 ? -14.063 23.217 -25.535 1.0 4.12 ? 53 A 3 +ATOM 794 C CA . LYS A 1 53 ? -13.291 22.544 -26.572 1.0 20.15 ? 53 A 3 +ATOM 795 C C . LYS A 1 53 ? -13.431 21.029 -26.459 1.0 12.34 ? 53 A 3 +ATOM 796 O O . LYS A 1 53 ? -13.539 20.488 -25.36 1.0 53.3 ? 53 A 3 +ATOM 797 C CB . LYS A 1 53 ? -11.816 22.939 -26.476 1.0 12.13 ? 53 A 3 +ATOM 798 C CG . LYS A 1 53 ? -11.189 22.626 -25.128 1.0 34.42 ? 53 A 3 +ATOM 799 C CD . LYS A 1 53 ? -10.53 21.257 -25.124 1.0 44.0 ? 53 A 3 +ATOM 800 C CE . LYS A 1 53 ? -9.364 21.197 -26.098 1.0 75.53 ? 53 A 3 +ATOM 801 N NZ . LYS A 1 53 ? -8.083 20.874 -25.41 1.0 61.53 ? 53 A 3 +ATOM 802 H H . LYS A 1 53 ? -13.654 23.369 -24.657 1.0 32.12 ? 53 A 3 +ATOM 803 H HA . LYS A 1 53 ? -13.677 22.859 -27.53 1.0 74.23 ? 53 A 3 +ATOM 804 H HB2 . LYS A 1 53 ? -11.263 22.41 -27.238 1.0 34.02 ? 53 A 3 +ATOM 805 H HB3 . LYS A 1 53 ? -11.728 24.002 -26.652 1.0 32.22 ? 53 A 3 +ATOM 806 H HG2 . LYS A 1 53 ? -10.442 23.374 -24.906 1.0 24.24 ? 53 A 3 +ATOM 807 H HG3 . LYS A 1 53 ? -11.959 22.648 -24.37 1.0 53.0 ? 53 A 3 +ATOM 808 H HD2 . LYS A 1 53 ? -10.166 21.045 -24.13 1.0 22.42 ? 53 A 3 +ATOM 809 H HD3 . LYS A 1 53 ? -11.263 20.514 -25.407 1.0 0.05 ? 53 A 3 +ATOM 810 H HE2 . LYS A 1 53 ? -9.567 20.437 -26.837 1.0 25.2 ? 53 A 3 +ATOM 811 H HE3 . LYS A 1 53 ? -9.269 22.156 -26.585 1.0 75.24 ? 53 A 3 +ATOM 812 H HZ1 . LYS A 1 53 ? -7.379 21.615 -25.598 1.0 1.33 ? 53 A 3 +ATOM 813 H HZ2 . LYS A 1 53 ? -7.713 19.964 -25.754 1.0 14.14 ? 53 A 3 +ATOM 814 H HZ3 . LYS A 1 53 ? -8.235 20.807 -24.384 1.0 31.25 ? 53 A 3 +ATOM 815 N N . GLN A 1 54 ? -13.425 20.352 -27.603 1.0 32.1 ? 54 A 3 +ATOM 816 C CA . GLN A 1 54 ? -13.551 18.9 -27.631 1.0 3.14 ? 54 A 3 +ATOM 817 C C . GLN A 1 54 ? -12.284 18.234 -27.103 1.0 14.5 ? 54 A 3 +ATOM 818 O O . GLN A 1 54 ? -11.233 18.868 -27.0 1.0 22.04 ? 54 A 3 +ATOM 819 C CB . GLN A 1 54 ? -13.839 18.419 -29.054 1.0 14.03 ? 54 A 3 +ATOM 820 C CG . GLN A 1 54 ? -15.311 18.145 -29.317 1.0 52.41 ? 54 A 3 +ATOM 821 C CD . GLN A 1 54 ? -16.086 19.401 -29.664 1.0 44.23 ? 54 A 3 +ATOM 822 O OE1 . GLN A 1 54 ? -15.742 20.497 -29.222 1.0 25.33 ? 54 A 3 +ATOM 823 N NE2 . GLN A 1 54 ? -17.138 19.247 -30.459 1.0 63.1 ? 54 A 3 +ATOM 824 H H . GLN A 1 54 ? -13.335 20.84 -28.447 1.0 52.11 ? 54 A 3 +ATOM 825 H HA . GLN A 1 54 ? -14.378 18.626 -26.994 1.0 62.04 ? 54 A 3 +ATOM 826 H HB2 . GLN A 1 54 ? -13.505 19.173 -29.751 1.0 31.24 ? 54 A 3 +ATOM 827 H HB3 . GLN A 1 54 ? -13.288 17.507 -29.231 1.0 25.42 ? 54 A 3 +ATOM 828 H HG2 . GLN A 1 54 ? -15.393 17.451 -30.141 1.0 52.11 ? 54 A 3 +ATOM 829 H HG3 . GLN A 1 54 ? -15.745 17.704 -28.432 1.0 53.52 ? 54 A 3 +ATOM 830 H HE21 . GLN A 1 54 ? -17.353 18.343 -30.772 1.0 45.55 ? 54 A 3 +ATOM 831 H HE22 . GLN A 1 54 ? -17.657 20.042 -30.698 1.0 62.42 ? 54 A 3 +ATOM 832 N N . LEU A 1 55 ? -12.391 16.952 -26.77 1.0 51.34 ? 55 A 3 +ATOM 833 C CA . LEU A 1 55 ? -11.253 16.199 -26.252 1.0 40.45 ? 55 A 3 +ATOM 834 C C . LEU A 1 55 ? -10.889 15.051 -27.187 1.0 63.5 ? 55 A 3 +ATOM 835 O O . LEU A 1 55 ? -11.736 14.228 -27.534 1.0 52.11 ? 55 A 3 +ATOM 836 C CB . LEU A 1 55 ? -11.569 15.656 -24.857 1.0 25.03 ? 55 A 3 +ATOM 837 C CG . LEU A 1 55 ? -12.143 16.662 -23.859 1.0 41.33 ? 55 A 3 +ATOM 838 C CD1 . LEU A 1 55 ? -12.258 16.037 -22.478 1.0 33.24 ? 55 A 3 +ATOM 839 C CD2 . LEU A 1 55 ? -11.282 17.916 -23.81 1.0 52.23 ? 55 A 3 +ATOM 840 H H . LEU A 1 55 ? -13.253 16.501 -26.875 1.0 12.34 ? 55 A 3 +ATOM 841 H HA . LEU A 1 55 ? -10.412 16.874 -26.186 1.0 22.21 ? 55 A 3 +ATOM 842 H HB2 . LEU A 1 55 ? -12.284 14.856 -24.968 1.0 55.1 ? 55 A 3 +ATOM 843 H HB3 . LEU A 1 55 ? -10.652 15.263 -24.442 1.0 51.11 ? 55 A 3 +ATOM 844 H HG . LEU A 1 55 ? -13.135 16.95 -24.178 1.0 72.12 ? 55 A 3 +ATOM 845 H HD11 . LEU A 1 55 ? -11.487 15.292 -22.355 1.0 32.04 ? 55 A 3 +ATOM 846 H HD12 . LEU A 1 55 ? -13.227 15.573 -22.372 1.0 44.35 ? 55 A 3 +ATOM 847 H HD13 . LEU A 1 55 ? -12.142 16.804 -21.725 1.0 32.21 ? 55 A 3 +ATOM 848 H HD21 . LEU A 1 55 ? -11.149 18.221 -22.783 1.0 33.14 ? 55 A 3 +ATOM 849 H HD22 . LEU A 1 55 ? -11.766 18.707 -24.362 1.0 72.01 ? 55 A 3 +ATOM 850 H HD23 . LEU A 1 55 ? -10.318 17.707 -24.251 1.0 74.33 ? 55 A 3 +ATOM 851 N N . GLU A 1 56 ? -9.624 15.001 -27.591 1.0 12.02 ? 56 A 3 +ATOM 852 C CA . GLU A 1 56 ? -9.148 13.952 -28.485 1.0 31.33 ? 56 A 3 +ATOM 853 C C . GLU A 1 56 ? -9.199 12.589 -27.8 1.0 62.51 ? 56 A 3 +ATOM 854 O O . GLU A 1 56 ? -9.637 12.474 -26.655 1.0 51.02 ? 56 A 3 +ATOM 855 C CB . GLU A 1 56 ? -7.719 14.251 -28.944 1.0 62.01 ? 56 A 3 +ATOM 856 C CG . GLU A 1 56 ? -7.495 14.017 -30.428 1.0 21.02 ? 56 A 3 +ATOM 857 C CD . GLU A 1 56 ? -7.252 15.304 -31.191 1.0 1.0 ? 56 A 3 +ATOM 858 O OE1 . GLU A 1 56 ? -8.238 16.006 -31.502 1.0 61.34 ? 56 A 3 +ATOM 859 O OE2 . GLU A 1 56 ? -6.076 15.611 -31.477 1.0 22.01 ? 56 A 3 +ATOM 860 H H . GLU A 1 56 ? -8.995 15.686 -27.28 1.0 72.43 ? 56 A 3 +ATOM 861 H HA . GLU A 1 56 ? -9.797 13.932 -29.347 1.0 4.21 ? 56 A 3 +ATOM 862 H HB2 . GLU A 1 56 ? -7.492 15.284 -28.724 1.0 41.11 ? 56 A 3 +ATOM 863 H HB3 . GLU A 1 56 ? -7.038 13.617 -28.394 1.0 51.02 ? 56 A 3 +ATOM 864 H HG2 . GLU A 1 56 ? -6.636 13.375 -30.553 1.0 71.31 ? 56 A 3 +ATOM 865 H HG3 . GLU A 1 56 ? -8.369 13.531 -30.839 1.0 60.44 ? 56 A 3 +ATOM 866 N N . ASP A 1 57 ? -8.749 11.56 -28.509 1.0 71.03 ? 57 A 3 +ATOM 867 C CA . ASP A 1 57 ? -8.743 10.205 -27.971 1.0 63.41 ? 57 A 3 +ATOM 868 C C . ASP A 1 57 ? -7.662 10.048 -26.905 1.0 21.4 ? 57 A 3 +ATOM 869 O O . ASP A 1 57 ? -7.703 9.121 -26.097 1.0 43.31 ? 57 A 3 +ATOM 870 C CB . ASP A 1 57 ? -8.521 9.189 -29.092 1.0 45.31 ? 57 A 3 +ATOM 871 C CG . ASP A 1 57 ? -9.358 9.49 -30.32 1.0 55.43 ? 57 A 3 +ATOM 872 O OD1 . ASP A 1 57 ? -10.462 10.052 -30.162 1.0 72.35 ? 57 A 3 +ATOM 873 O OD2 . ASP A 1 57 ? -8.909 9.164 -31.439 1.0 15.11 ? 57 A 3 +ATOM 874 H H . ASP A 1 57 ? -8.412 11.716 -29.417 1.0 23.12 ? 57 A 3 +ATOM 875 H HA . ASP A 1 57 ? -9.706 10.023 -27.518 1.0 62.14 ? 57 A 3 +ATOM 876 H HB2 . ASP A 1 57 ? -7.479 9.199 -29.378 1.0 24.44 ? 57 A 3 +ATOM 877 H HB3 . ASP A 1 57 ? -8.782 8.204 -28.734 1.0 64.03 ? 57 A 3 +ATOM 878 N N . SER A 1 58 ? -6.696 10.961 -26.911 1.0 32.51 ? 58 A 3 +ATOM 879 C CA . SER A 1 58 ? -5.602 10.922 -25.948 1.0 62.24 ? 58 A 3 +ATOM 880 C C . SER A 1 58 ? -5.72 12.064 -24.944 1.0 2.12 ? 58 A 3 +ATOM 881 O O . SER A 1 58 ? -4.85 12.251 -24.095 1.0 12.21 ? 58 A 3 +ATOM 882 C CB . SER A 1 58 ? -4.255 11.0 -26.671 1.0 65.11 ? 58 A 3 +ATOM 883 O OG . SER A 1 58 ? -3.179 10.86 -25.76 1.0 34.21 ? 58 A 3 +ATOM 884 H H . SER A 1 58 ? -6.719 11.676 -27.581 1.0 21.03 ? 58 A 3 +ATOM 885 H HA . SER A 1 58 ? -5.661 9.983 -25.417 1.0 33.55 ? 58 A 3 +ATOM 886 H HB2 . SER A 1 58 ? -4.196 10.21 -27.404 1.0 31.42 ? 58 A 3 +ATOM 887 H HB3 . SER A 1 58 ? -4.171 11.957 -27.165 1.0 40.4 ? 58 A 3 +ATOM 888 H HG . SER A 1 58 ? -2.676 11.677 -25.73 1.0 10.23 ? 58 A 3 +ATOM 889 N N . ASN A 1 59 ? -6.804 12.826 -25.05 1.0 35.41 ? 59 A 3 +ATOM 890 C CA . ASN A 1 59 ? -7.038 13.951 -24.152 1.0 52.34 ? 59 A 3 +ATOM 891 C C . ASN A 1 59 ? -7.588 13.472 -22.811 1.0 4.01 ? 59 A 3 +ATOM 892 O O . ASN A 1 59 ? -8.797 13.492 -22.582 1.0 42.21 ? 59 A 3 +ATOM 893 C CB . ASN A 1 59 ? -8.011 14.945 -24.789 1.0 21.1 ? 59 A 3 +ATOM 894 C CG . ASN A 1 59 ? -7.298 16.029 -25.575 1.0 14.54 ? 59 A 3 +ATOM 895 O OD1 . ASN A 1 59 ? -6.49 15.74 -26.459 1.0 24.42 ? 59 A 3 +ATOM 896 N ND2 . ASN A 1 59 ? -7.593 17.283 -25.256 1.0 14.44 ? 59 A 3 +ATOM 897 H H . ASN A 1 59 ? -7.463 12.627 -25.748 1.0 5.51 ? 59 A 3 +ATOM 898 H HA . ASN A 1 59 ? -6.092 14.443 -23.984 1.0 74.51 ? 59 A 3 +ATOM 899 H HB2 . ASN A 1 59 ? -8.67 14.415 -25.461 1.0 43.43 ? 59 A 3 +ATOM 900 H HB3 . ASN A 1 59 ? -8.596 15.415 -24.013 1.0 11.21 ? 59 A 3 +ATOM 901 H HD21 . ASN A 1 59 ? -8.246 17.438 -24.541 1.0 21.33 ? 59 A 3 +ATOM 902 H HD22 . ASN A 1 59 ? -7.147 18.003 -25.749 1.0 12.0 ? 59 A 3 +ATOM 903 N N . ALA A 1 60 ? -6.691 13.044 -21.929 1.0 13.11 ? 60 A 3 +ATOM 904 C CA . ALA A 1 60 ? -7.086 12.563 -20.611 1.0 35.51 ? 60 A 3 +ATOM 905 C C . ALA A 1 60 ? -5.865 12.232 -19.759 1.0 74.01 ? 60 A 3 +ATOM 906 O O . ALA A 1 60 ? -5.367 13.077 -19.016 1.0 74.24 ? 60 A 3 +ATOM 907 C CB . ALA A 1 60 ? -7.986 11.343 -20.742 1.0 64.13 ? 60 A 3 +ATOM 908 H H . ALA A 1 60 ? -5.741 13.052 -22.17 1.0 31.12 ? 60 A 3 +ATOM 909 H HA . ALA A 1 60 ? -7.65 13.346 -20.125 1.0 20.01 ? 60 A 3 +ATOM 910 H HB1 . ALA A 1 60 ? -7.531 10.632 -21.416 1.0 72.33 ? 60 A 3 +ATOM 911 H HB2 . ALA A 1 60 ? -8.119 10.888 -19.772 1.0 25.02 ? 60 A 3 +ATOM 912 H HB3 . ALA A 1 60 ? -8.947 11.646 -21.132 1.0 51.02 ? 60 A 3 +ATOM 913 N N . MET A 1 61 ? -5.388 10.996 -19.871 1.0 21.52 ? 61 A 3 +ATOM 914 C CA . MET A 1 61 ? -4.224 10.555 -19.111 1.0 32.03 ? 61 A 3 +ATOM 915 C C . MET A 1 61 ? -3.029 11.468 -19.367 1.0 55.14 ? 61 A 3 +ATOM 916 O O . MET A 1 61 ? -2.378 11.93 -18.431 1.0 73.23 ? 61 A 3 +ATOM 917 C CB . MET A 1 61 ? -3.867 9.113 -19.476 1.0 33.12 ? 61 A 3 +ATOM 918 C CG . MET A 1 61 ? -4.115 8.777 -20.938 1.0 10.31 ? 61 A 3 +ATOM 919 S SD . MET A 1 61 ? -2.845 7.699 -21.628 1.0 3.45 ? 61 A 3 +ATOM 920 C CE . MET A 1 61 ? -1.969 8.845 -22.691 1.0 11.34 ? 61 A 3 +ATOM 921 H H . MET A 1 61 ? -5.828 10.367 -20.48 1.0 44.35 ? 61 A 3 +ATOM 922 H HA . MET A 1 61 ? -4.478 10.599 -18.063 1.0 14.21 ? 61 A 3 +ATOM 923 H HB2 . MET A 1 61 ? -2.821 8.949 -19.264 1.0 14.23 ? 61 A 3 +ATOM 924 H HB3 . MET A 1 61 ? -4.459 8.443 -18.871 1.0 0.24 ? 61 A 3 +ATOM 925 H HG2 . MET A 1 61 ? -5.071 8.282 -21.023 1.0 62.14 ? 61 A 3 +ATOM 926 H HG3 . MET A 1 61 ? -4.136 9.696 -21.505 1.0 32.0 ? 61 A 3 +ATOM 927 H HE1 . MET A 1 61 ? -1.303 8.296 -23.34 1.0 54.23 ? 61 A 3 +ATOM 928 H HE2 . MET A 1 61 ? -2.68 9.397 -23.288 1.0 64.31 ? 61 A 3 +ATOM 929 H HE3 . MET A 1 61 ? -1.397 9.532 -22.085 1.0 24.11 ? 61 A 3 +ATOM 930 N N . SER A 1 62 ? -2.747 11.723 -20.641 1.0 73.15 ? 62 A 3 +ATOM 931 C CA . SER A 1 62 ? -1.628 12.577 -21.019 1.0 12.22 ? 62 A 3 +ATOM 932 C C . SER A 1 62 ? -1.967 14.048 -20.797 1.0 13.52 ? 62 A 3 +ATOM 933 O O . SER A 1 62 ? -1.098 14.854 -20.467 1.0 42.51 ? 62 A 3 +ATOM 934 C CB . SER A 1 62 ? -1.253 12.344 -22.484 1.0 62.33 ? 62 A 3 +ATOM 935 O OG . SER A 1 62 ? -0.843 13.551 -23.104 1.0 14.13 ? 62 A 3 +ATOM 936 H H . SER A 1 62 ? -3.304 11.325 -21.342 1.0 74.25 ? 62 A 3 +ATOM 937 H HA . SER A 1 62 ? -0.786 12.316 -20.395 1.0 74.15 ? 62 A 3 +ATOM 938 H HB2 . SER A 1 62 ? -0.444 11.633 -22.537 1.0 54.41 ? 62 A 3 +ATOM 939 H HB3 . SER A 1 62 ? -2.111 11.955 -23.014 1.0 23.45 ? 62 A 3 +ATOM 940 H HG . SER A 1 62 ? -1.36 13.694 -23.9 1.0 1.23 ? 62 A 3 +ATOM 941 N N . ASP A 1 63 ? -3.238 14.389 -20.981 1.0 34.33 ? 63 A 3 +ATOM 942 C CA . ASP A 1 63 ? -3.695 15.762 -20.8 1.0 10.21 ? 63 A 3 +ATOM 943 C C . ASP A 1 63 ? -3.372 16.262 -19.395 1.0 63.54 ? 63 A 3 +ATOM 944 O O . ASP A 1 63 ? -3.23 17.464 -19.17 1.0 31.33 ? 63 A 3 +ATOM 945 C CB . ASP A 1 63 ? -5.199 15.86 -21.056 1.0 21.1 ? 63 A 3 +ATOM 946 C CG . ASP A 1 63 ? -5.647 17.28 -21.344 1.0 12.2 ? 63 A 3 +ATOM 947 O OD1 . ASP A 1 63 ? -5.963 18.009 -20.381 1.0 53.24 ? 63 A 3 +ATOM 948 O OD2 . ASP A 1 63 ? -5.679 17.661 -22.532 1.0 3.13 ? 63 A 3 +ATOM 949 H H . ASP A 1 63 ? -3.885 13.701 -21.244 1.0 14.4 ? 63 A 3 +ATOM 950 H HA . ASP A 1 63 ? -3.176 16.381 -21.516 1.0 72.42 ? 63 A 3 +ATOM 951 H HB2 . ASP A 1 63 ? -5.454 15.243 -21.906 1.0 63.34 ? 63 A 3 +ATOM 952 H HB3 . ASP A 1 63 ? -5.73 15.503 -20.186 1.0 44.51 ? 63 A 3 +ATOM 953 N N . TYR A 1 64 ? -3.26 15.331 -18.453 1.0 43.15 ? 64 A 3 +ATOM 954 C CA . TYR A 1 64 ? -2.957 15.677 -17.069 1.0 74.44 ? 64 A 3 +ATOM 955 C C . TYR A 1 64 ? -4.176 16.283 -16.381 1.0 35.31 ? 64 A 3 +ATOM 956 O O . TYR A 1 64 ? -4.058 16.931 -15.342 1.0 63.11 ? 64 A 3 +ATOM 957 C CB . TYR A 1 64 ? -1.785 16.657 -17.011 1.0 41.31 ? 64 A 3 +ATOM 958 C CG . TYR A 1 64 ? -0.67 16.213 -16.091 1.0 35.31 ? 64 A 3 +ATOM 959 C CD1 . TYR A 1 64 ? 0.306 15.326 -16.528 1.0 10.21 ? 64 A 3 +ATOM 960 C CD2 . TYR A 1 64 ? -0.592 16.682 -14.785 1.0 61.0 ? 64 A 3 +ATOM 961 C CE1 . TYR A 1 64 ? 1.326 14.917 -15.69 1.0 31.32 ? 64 A 3 +ATOM 962 C CE2 . TYR A 1 64 ? 0.425 16.279 -13.941 1.0 3.01 ? 64 A 3 +ATOM 963 C CZ . TYR A 1 64 ? 1.381 15.396 -14.398 1.0 35.43 ? 64 A 3 +ATOM 964 O OH . TYR A 1 64 ? 2.396 14.993 -13.562 1.0 23.32 ? 64 A 3 +ATOM 965 H H . TYR A 1 64 ? -3.384 14.39 -18.694 1.0 10.22 ? 64 A 3 +ATOM 966 H HA . TYR A 1 64 ? -2.681 14.769 -16.554 1.0 40.51 ? 64 A 3 +ATOM 967 H HB2 . TYR A 1 64 ? -1.371 16.772 -18.001 1.0 75.32 ? 64 A 3 +ATOM 968 H HB3 . TYR A 1 64 ? -2.142 17.615 -16.662 1.0 32.34 ? 64 A 3 +ATOM 969 H HD1 . TYR A 1 64 ? 0.26 14.952 -17.541 1.0 1.35 ? 64 A 3 +ATOM 970 H HD2 . TYR A 1 64 ? -1.342 17.373 -14.43 1.0 32.41 ? 64 A 3 +ATOM 971 H HE1 . TYR A 1 64 ? 2.075 14.226 -16.048 1.0 52.21 ? 64 A 3 +ATOM 972 H HE2 . TYR A 1 64 ? 0.469 16.654 -12.929 1.0 43.14 ? 64 A 3 +ATOM 973 H HH . TYR A 1 64 ? 2.538 15.659 -12.885 1.0 23.33 ? 64 A 3 +ATOM 974 N N . ASN A 1 65 ? -5.348 16.068 -16.969 1.0 61.21 ? 65 A 3 +ATOM 975 C CA . ASN A 1 65 ? -6.591 16.593 -16.414 1.0 70.22 ? 65 A 3 +ATOM 976 C C . ASN A 1 65 ? -7.461 15.465 -15.867 1.0 21.44 ? 65 A 3 +ATOM 977 O O . ASN A 1 65 ? -8.652 15.651 -15.617 1.0 22.24 ? 65 A 3 +ATOM 978 C CB . ASN A 1 65 ? -7.36 17.375 -17.48 1.0 30.31 ? 65 A 3 +ATOM 979 C CG . ASN A 1 65 ? -8.171 16.471 -18.388 1.0 75.23 ? 65 A 3 +ATOM 980 O OD1 . ASN A 1 65 ? -7.685 15.438 -18.848 1.0 74.2 ? 65 A 3 +ATOM 981 N ND2 . ASN A 1 65 ? -9.414 16.857 -18.651 1.0 12.4 ? 65 A 3 +ATOM 982 H H . ASN A 1 65 ? -5.379 15.544 -17.797 1.0 72.01 ? 65 A 3 +ATOM 983 H HA . ASN A 1 65 ? -6.336 17.26 -15.604 1.0 43.44 ? 65 A 3 +ATOM 984 H HB2 . ASN A 1 65 ? -8.036 18.064 -16.994 1.0 12.24 ? 65 A 3 +ATOM 985 H HB3 . ASN A 1 65 ? -6.66 17.93 -18.086 1.0 73.02 ? 65 A 3 +ATOM 986 H HD21 . ASN A 1 65 ? -9.734 17.692 -18.249 1.0 23.44 ? 65 A 3 +ATOM 987 H HD22 . ASN A 1 65 ? -9.96 16.291 -19.235 1.0 32.24 ? 65 A 3 +ATOM 988 N N . VAL A 1 66 ? -6.858 14.295 -15.683 1.0 11.4 ? 66 A 3 +ATOM 989 C CA . VAL A 1 66 ? -7.577 13.137 -15.165 1.0 70.45 ? 66 A 3 +ATOM 990 C C . VAL A 1 66 ? -7.33 12.961 -13.671 1.0 73.11 ? 66 A 3 +ATOM 991 O O . VAL A 1 66 ? -6.44 12.215 -13.263 1.0 33.12 ? 66 A 3 +ATOM 992 C CB . VAL A 1 66 ? -7.165 11.846 -15.898 1.0 40.11 ? 66 A 3 +ATOM 993 C CG1 . VAL A 1 66 ? -5.65 11.716 -15.939 1.0 32.21 ? 66 A 3 +ATOM 994 C CG2 . VAL A 1 66 ? -7.795 10.632 -15.232 1.0 25.13 ? 66 A 3 +ATOM 995 H H . VAL A 1 66 ? -5.906 14.208 -15.901 1.0 25.31 ? 66 A 3 +ATOM 996 H HA . VAL A 1 66 ? -8.632 13.298 -15.329 1.0 44.24 ? 66 A 3 +ATOM 997 H HB . VAL A 1 66 ? -7.527 11.902 -16.914 1.0 65.05 ? 66 A 3 +ATOM 998 H HG11 . VAL A 1 66 ? -5.29 12.005 -16.915 1.0 62.5 ? 66 A 3 +ATOM 999 H HG12 . VAL A 1 66 ? -5.212 12.357 -15.188 1.0 4.5 ? 66 A 3 +ATOM 1000 H HG13 . VAL A 1 66 ? -5.372 10.69 -15.744 1.0 12.32 ? 66 A 3 +ATOM 1001 H HG21 . VAL A 1 66 ? -7.932 9.851 -15.964 1.0 23.4 ? 66 A 3 +ATOM 1002 H HG22 . VAL A 1 66 ? -7.148 10.279 -14.444 1.0 64.2 ? 66 A 3 +ATOM 1003 H HG23 . VAL A 1 66 ? -8.754 10.907 -14.816 1.0 74.31 ? 66 A 3 +ATOM 1004 N N . GLN A 1 67 ? -8.124 13.652 -12.86 1.0 5.43 ? 67 A 3 +ATOM 1005 C CA . GLN A 1 67 ? -7.992 13.572 -11.41 1.0 15.5 ? 67 A 3 +ATOM 1006 C C . GLN A 1 67 ? -8.951 12.536 -10.832 1.0 62.54 ? 67 A 3 +ATOM 1007 O O . GLN A 1 67 ? -9.67 11.862 -11.569 1.0 44.01 ? 67 A 3 +ATOM 1008 C CB . GLN A 1 67 ? -8.256 14.939 -10.776 1.0 35.11 ? 67 A 3 +ATOM 1009 C CG . GLN A 1 67 ? -9.615 15.521 -11.129 1.0 11.21 ? 67 A 3 +ATOM 1010 C CD . GLN A 1 67 ? -9.904 16.816 -10.396 1.0 34.44 ? 67 A 3 +ATOM 1011 O OE1 . GLN A 1 67 ? -10.28 17.817 -11.005 1.0 41.54 ? 67 A 3 +ATOM 1012 N NE2 . GLN A 1 67 ? -9.729 16.802 -9.079 1.0 50.51 ? 67 A 3 +ATOM 1013 H H . GLN A 1 67 ? -8.815 14.23 -13.246 1.0 54.23 ? 67 A 3 +ATOM 1014 H HA . GLN A 1 67 ? -6.979 13.271 -11.186 1.0 21.13 ? 67 A 3 +ATOM 1015 H HB2 . GLN A 1 67 ? -8.197 14.842 -9.702 1.0 61.05 ? 67 A 3 +ATOM 1016 H HB3 . GLN A 1 67 ? -7.495 15.63 -11.109 1.0 21.05 ? 67 A 3 +ATOM 1017 H HG2 . GLN A 1 67 ? -9.645 15.713 -12.192 1.0 63.24 ? 67 A 3 +ATOM 1018 H HG3 . GLN A 1 67 ? -10.378 14.801 -10.873 1.0 63.02 ? 67 A 3 +ATOM 1019 H HE21 . GLN A 1 67 ? -9.427 15.968 -8.662 1.0 0.12 ? 67 A 3 +ATOM 1020 H HE22 . GLN A 1 67 ? -9.908 17.625 -8.58 1.0 72.41 ? 67 A 3 +ATOM 1021 N N . LYS A 1 68 ? -8.955 12.415 -9.509 1.0 63.33 ? 68 A 3 +ATOM 1022 C CA . LYS A 1 68 ? -9.826 11.463 -8.831 1.0 34.0 ? 68 A 3 +ATOM 1023 C C . LYS A 1 68 ? -11.292 11.754 -9.134 1.0 33.21 ? 68 A 3 +ATOM 1024 O O . LYS A 1 68 ? -12.119 10.844 -9.173 1.0 33.01 ? 68 A 3 +ATOM 1025 C CB . LYS A 1 68 ? -9.588 11.51 -7.32 1.0 41.41 ? 68 A 3 +ATOM 1026 C CG . LYS A 1 68 ? -10.178 10.325 -6.574 1.0 61.44 ? 68 A 3 +ATOM 1027 C CD . LYS A 1 68 ? -9.453 9.034 -6.916 1.0 43.41 ? 68 A 3 +ATOM 1028 C CE . LYS A 1 68 ? -8.151 8.903 -6.14 1.0 23.43 ? 68 A 3 +ATOM 1029 N NZ . LYS A 1 68 ? -8.381 8.898 -4.668 1.0 52.05 ? 68 A 3 +ATOM 1030 H H . LYS A 1 68 ? -8.358 12.982 -8.975 1.0 75.53 ? 68 A 3 +ATOM 1031 H HA . LYS A 1 68 ? -9.585 10.475 -9.194 1.0 31.4 ? 68 A 3 +ATOM 1032 H HB2 . LYS A 1 68 ? -8.524 11.531 -7.135 1.0 51.5 ? 68 A 3 +ATOM 1033 H HB3 . LYS A 1 68 ? -10.031 12.413 -6.925 1.0 62.4 ? 68 A 3 +ATOM 1034 H HG2 . LYS A 1 68 ? -10.094 10.501 -5.512 1.0 22.33 ? 68 A 3 +ATOM 1035 H HG3 . LYS A 1 68 ? -11.22 10.224 -6.843 1.0 45.02 ? 68 A 3 +ATOM 1036 H HD2 . LYS A 1 68 ? -10.09 8.197 -6.671 1.0 14.2 ? 68 A 3 +ATOM 1037 H HD3 . LYS A 1 68 ? -9.233 9.024 -7.974 1.0 13.53 ? 68 A 3 +ATOM 1038 H HE2 . LYS A 1 68 ? -7.669 7.981 -6.424 1.0 43.13 ? 68 A 3 +ATOM 1039 H HE3 . LYS A 1 68 ? -7.512 9.736 -6.392 1.0 63.42 ? 68 A 3 +ATOM 1040 H HZ1 . LYS A 1 68 ? -8.578 9.862 -4.333 1.0 1.54 ? 68 A 3 +ATOM 1041 H HZ2 . LYS A 1 68 ? -7.538 8.537 -4.177 1.0 73.32 ? 68 A 3 +ATOM 1042 H HZ3 . LYS A 1 68 ? -9.191 8.288 -4.436 1.0 23.44 ? 68 A 3 +ATOM 1043 N N . GLU A 1 69 ? -11.606 13.027 -9.351 1.0 51.1 ? 69 A 3 +ATOM 1044 C CA . GLU A 1 69 ? -12.972 13.437 -9.652 1.0 15.41 ? 69 A 3 +ATOM 1045 C C . GLU A 1 69 ? -12.986 14.658 -10.566 1.0 20.25 ? 69 A 3 +ATOM 1046 O O . GLU A 1 69 ? -13.171 15.786 -10.11 1.0 55.15 ? 69 A 3 +ATOM 1047 C CB . GLU A 1 69 ? -13.733 13.744 -8.36 1.0 42.14 ? 69 A 3 +ATOM 1048 C CG . GLU A 1 69 ? -12.961 14.63 -7.396 1.0 32.44 ? 69 A 3 +ATOM 1049 C CD . GLU A 1 69 ? -13.788 15.794 -6.884 1.0 60.3 ? 69 A 3 +ATOM 1050 O OE1 . GLU A 1 69 ? -14.201 16.636 -7.708 1.0 52.11 ? 69 A 3 +ATOM 1051 O OE2 . GLU A 1 69 ? -14.021 15.862 -5.659 1.0 33.22 ? 69 A 3 +ATOM 1052 H H . GLU A 1 69 ? -10.902 13.708 -9.306 1.0 51.55 ? 69 A 3 +ATOM 1053 H HA . GLU A 1 69 ? -13.46 12.618 -10.159 1.0 21.13 ? 69 A 3 +ATOM 1054 H HB2 . GLU A 1 69 ? -14.659 14.24 -8.611 1.0 70.35 ? 69 A 3 +ATOM 1055 H HB3 . GLU A 1 69 ? -13.958 12.814 -7.859 1.0 25.14 ? 69 A 3 +ATOM 1056 H HG2 . GLU A 1 69 ? -12.647 14.034 -6.553 1.0 60.54 ? 69 A 3 +ATOM 1057 H HG3 . GLU A 1 69 ? -12.092 15.021 -7.904 1.0 2.43 ? 69 A 3 +ATOM 1058 N N . SER A 1 70 ? -12.787 14.425 -11.859 1.0 51.41 ? 70 A 3 +ATOM 1059 C CA . SER A 1 70 ? -12.771 15.506 -12.838 1.0 50.24 ? 70 A 3 +ATOM 1060 C C . SER A 1 70 ? -14.134 15.652 -13.507 1.0 72.1 ? 70 A 3 +ATOM 1061 O O . SER A 1 70 ? -14.718 14.674 -13.976 1.0 13.02 ? 70 A 3 +ATOM 1062 C CB . SER A 1 70 ? -11.696 15.249 -13.895 1.0 75.43 ? 70 A 3 +ATOM 1063 O OG . SER A 1 70 ? -11.015 16.446 -14.231 1.0 45.33 ? 70 A 3 +ATOM 1064 H H . SER A 1 70 ? -12.645 13.503 -12.162 1.0 42.55 ? 70 A 3 +ATOM 1065 H HA . SER A 1 70 ? -12.539 16.422 -12.316 1.0 61.25 ? 70 A 3 +ATOM 1066 H HB2 . SER A 1 70 ? -10.981 14.537 -13.513 1.0 1.23 ? 70 A 3 +ATOM 1067 H HB3 . SER A 1 70 ? -12.159 14.85 -14.786 1.0 50.33 ? 70 A 3 +ATOM 1068 H HG . SER A 1 70 ? -11.623 17.187 -14.175 1.0 14.24 ? 70 A 3 +ATOM 1069 N N . THR A 1 71 ? -14.637 16.882 -13.549 1.0 52.55 ? 71 A 3 +ATOM 1070 C CA . THR A 1 71 ? -15.932 17.158 -14.159 1.0 43.33 ? 71 A 3 +ATOM 1071 C C . THR A 1 71 ? -15.774 17.583 -15.614 1.0 63.44 ? 71 A 3 +ATOM 1072 O O . THR A 1 71 ? -15.094 18.565 -15.915 1.0 13.52 ? 71 A 3 +ATOM 1073 C CB . THR A 1 71 ? -16.69 18.259 -13.394 1.0 4.41 ? 71 A 3 +ATOM 1074 O OG1 . THR A 1 71 ? -15.775 19.27 -12.955 1.0 4.41 ? 71 A 3 +ATOM 1075 C CG2 . THR A 1 71 ? -17.424 17.678 -12.195 1.0 4.35 ? 71 A 3 +ATOM 1076 H H . THR A 1 71 ? -14.125 17.62 -13.158 1.0 14.04 ? 71 A 3 +ATOM 1077 H HA . THR A 1 71 ? -16.519 16.252 -14.12 1.0 24.13 ? 71 A 3 +ATOM 1078 H HB . THR A 1 71 ? -17.415 18.705 -14.06 1.0 70.41 ? 71 A 3 +ATOM 1079 H HG1 . THR A 1 71 ? -16.264 20.059 -12.71 1.0 53.11 ? 71 A 3 +ATOM 1080 H HG21 . THR A 1 71 ? -17.503 18.428 -11.423 1.0 12.42 ? 71 A 3 +ATOM 1081 H HG22 . THR A 1 71 ? -16.878 16.827 -11.816 1.0 75.2 ? 71 A 3 +ATOM 1082 H HG23 . THR A 1 71 ? -18.413 17.365 -12.496 1.0 31.12 ? 71 A 3 +ATOM 1083 N N . LEU A 1 72 ? -16.406 16.838 -16.515 1.0 74.32 ? 72 A 3 +ATOM 1084 C CA . LEU A 1 72 ? -16.337 17.139 -17.941 1.0 62.12 ? 72 A 3 +ATOM 1085 C C . LEU A 1 72 ? -17.723 17.096 -18.574 1.0 14.1 ? 72 A 3 +ATOM 1086 O O . LEU A 1 72 ? -18.616 16.396 -18.094 1.0 22.33 ? 72 A 3 +ATOM 1087 C CB . LEU A 1 72 ? -15.41 16.147 -18.646 1.0 54.24 ? 72 A 3 +ATOM 1088 C CG . LEU A 1 72 ? -16.077 14.894 -19.215 1.0 12.34 ? 72 A 3 +ATOM 1089 C CD1 . LEU A 1 72 ? -16.369 15.07 -20.697 1.0 71.53 ? 72 A 3 +ATOM 1090 C CD2 . LEU A 1 72 ? -15.199 13.672 -18.984 1.0 45.31 ? 72 A 3 +ATOM 1091 H H . LEU A 1 72 ? -16.932 16.068 -16.215 1.0 40.44 ? 72 A 3 +ATOM 1092 H HA . LEU A 1 72 ? -15.935 18.135 -18.05 1.0 22.23 ? 72 A 3 +ATOM 1093 H HB2 . LEU A 1 72 ? -14.931 16.665 -19.462 1.0 24.33 ? 72 A 3 +ATOM 1094 H HB3 . LEU A 1 72 ? -14.662 15.831 -17.934 1.0 64.44 ? 72 A 3 +ATOM 1095 H HG . LEU A 1 72 ? -17.017 14.732 -18.707 1.0 60.22 ? 72 A 3 +ATOM 1096 H HD11 . LEU A 1 72 ? -15.746 15.857 -21.095 1.0 22.12 ? 72 A 3 +ATOM 1097 H HD12 . LEU A 1 72 ? -17.408 15.332 -20.83 1.0 11.12 ? 72 A 3 +ATOM 1098 H HD13 . LEU A 1 72 ? -16.161 14.147 -21.217 1.0 74.11 ? 72 A 3 +ATOM 1099 H HD21 . LEU A 1 72 ? -15.342 13.311 -17.977 1.0 45.11 ? 72 A 3 +ATOM 1100 H HD22 . LEU A 1 72 ? -14.163 13.941 -19.127 1.0 64.51 ? 72 A 3 +ATOM 1101 H HD23 . LEU A 1 72 ? -15.47 12.897 -19.687 1.0 15.53 ? 72 A 3 +ATOM 1102 N N . HIS A 1 73 ? -17.897 17.848 -19.657 1.0 22.1 ? 73 A 3 +ATOM 1103 C CA . HIS A 1 73 ? -19.175 17.893 -20.359 1.0 43.22 ? 73 A 3 +ATOM 1104 C C . HIS A 1 73 ? -19.176 16.939 -21.549 1.0 1.12 ? 73 A 3 +ATOM 1105 O O . HIS A 1 73 ? -18.354 17.062 -22.458 1.0 41.41 ? 73 A 3 +ATOM 1106 C CB . HIS A 1 73 ? -19.47 19.317 -20.832 1.0 34.11 ? 73 A 3 +ATOM 1107 C CG . HIS A 1 73 ? -20.916 19.559 -21.136 1.0 25.31 ? 73 A 3 +ATOM 1108 N ND1 . HIS A 1 73 ? -21.751 18.589 -21.649 1.0 22.31 ? 73 A 3 +ATOM 1109 C CD2 . HIS A 1 73 ? -21.677 20.67 -20.995 1.0 30.12 ? 73 A 3 +ATOM 1110 C CE1 . HIS A 1 73 ? -22.961 19.092 -21.812 1.0 74.03 ? 73 A 3 +ATOM 1111 N NE2 . HIS A 1 73 ? -22.943 20.354 -21.422 1.0 22.32 ? 73 A 3 +ATOM 1112 H H . HIS A 1 73 ? -17.148 18.384 -19.992 1.0 41.1 ? 73 A 3 +ATOM 1113 H HA . HIS A 1 73 ? -19.944 17.587 -19.667 1.0 23.25 ? 73 A 3 +ATOM 1114 H HB2 . HIS A 1 73 ? -19.172 20.014 -20.063 1.0 51.13 ? 73 A 3 +ATOM 1115 H HB3 . HIS A 1 73 ? -18.904 19.516 -21.731 1.0 64.13 ? 73 A 3 +ATOM 1116 H HD1 . HIS A 1 73 ? -21.493 17.668 -21.864 1.0 63.31 ? 73 A 3 +ATOM 1117 H HD2 . HIS A 1 73 ? -21.349 21.629 -20.617 1.0 71.43 ? 73 A 3 +ATOM 1118 H HE1 . HIS A 1 73 ? -23.82 18.563 -22.197 1.0 3.34 ? 73 A 3 +ATOM 1119 N N . LEU A 1 74 ? -20.102 15.987 -21.537 1.0 31.4 ? 74 A 3 +ATOM 1120 C CA . LEU A 1 74 ? -20.209 15.01 -22.615 1.0 41.22 ? 74 A 3 +ATOM 1121 C C . LEU A 1 74 ? -21.433 15.288 -23.482 1.0 21.0 ? 74 A 3 +ATOM 1122 O O . LEU A 1 74 ? -22.568 15.231 -23.009 1.0 70.53 ? 74 A 3 +ATOM 1123 C CB . LEU A 1 74 ? -20.289 13.594 -22.04 1.0 42.32 ? 74 A 3 +ATOM 1124 C CG . LEU A 1 74 ? -21.025 12.563 -22.896 1.0 13.02 ? 74 A 3 +ATOM 1125 C CD1 . LEU A 1 74 ? -20.399 12.473 -24.279 1.0 50.12 ? 74 A 3 +ATOM 1126 C CD2 . LEU A 1 74 ? -21.018 11.202 -22.216 1.0 22.4 ? 74 A 3 +ATOM 1127 H H . LEU A 1 74 ? -20.729 15.939 -20.785 1.0 53.04 ? 74 A 3 +ATOM 1128 H HA . LEU A 1 74 ? -19.323 15.092 -23.226 1.0 65.43 ? 74 A 3 +ATOM 1129 H HB2 . LEU A 1 74 ? -19.28 13.24 -21.892 1.0 22.02 ? 74 A 3 +ATOM 1130 H HB3 . LEU A 1 74 ? -20.792 13.653 -21.086 1.0 20.31 ? 74 A 3 +ATOM 1131 H HG . LEU A 1 74 ? -22.054 12.872 -23.016 1.0 34.12 ? 74 A 3 +ATOM 1132 H HD11 . LEU A 1 74 ? -19.348 12.709 -24.215 1.0 33.01 ? 74 A 3 +ATOM 1133 H HD12 . LEU A 1 74 ? -20.886 13.174 -24.941 1.0 1.34 ? 74 A 3 +ATOM 1134 H HD13 . LEU A 1 74 ? -20.521 11.471 -24.665 1.0 63.14 ? 74 A 3 +ATOM 1135 H HD21 . LEU A 1 74 ? -20.009 10.818 -22.189 1.0 12.32 ? 74 A 3 +ATOM 1136 H HD22 . LEU A 1 74 ? -21.648 10.52 -22.768 1.0 54.43 ? 74 A 3 +ATOM 1137 H HD23 . LEU A 1 74 ? -21.392 11.302 -21.207 1.0 14.02 ? 74 A 3 +ATOM 1138 N N . VAL A 1 75 ? -21.194 15.587 -24.755 1.0 43.5 ? 75 A 3 +ATOM 1139 C CA . VAL A 1 75 ? -22.276 15.871 -25.69 1.0 52.32 ? 75 A 3 +ATOM 1140 C C . VAL A 1 75 ? -22.401 14.77 -26.736 1.0 61.15 ? 75 A 3 +ATOM 1141 O O . VAL A 1 75 ? -21.421 14.397 -27.382 1.0 54.31 ? 75 A 3 +ATOM 1142 C CB . VAL A 1 75 ? -22.062 17.22 -26.403 1.0 24.5 ? 75 A 3 +ATOM 1143 C CG1 . VAL A 1 75 ? -23.245 17.54 -27.304 1.0 55.3 ? 75 A 3 +ATOM 1144 C CG2 . VAL A 1 75 ? -21.84 18.33 -25.387 1.0 64.14 ? 75 A 3 +ATOM 1145 H H . VAL A 1 75 ? -20.267 15.617 -25.073 1.0 70.11 ? 75 A 3 +ATOM 1146 H HA . VAL A 1 75 ? -23.197 15.927 -25.128 1.0 60.52 ? 75 A 3 +ATOM 1147 H HB . VAL A 1 75 ? -21.179 17.142 -27.019 1.0 44.41 ? 75 A 3 +ATOM 1148 H HG11 . VAL A 1 75 ? -24.059 16.866 -27.083 1.0 31.54 ? 75 A 3 +ATOM 1149 H HG12 . VAL A 1 75 ? -23.562 18.559 -27.135 1.0 61.34 ? 75 A 3 +ATOM 1150 H HG13 . VAL A 1 75 ? -22.952 17.422 -28.337 1.0 54.52 ? 75 A 3 +ATOM 1151 H HG21 . VAL A 1 75 ? -21.619 19.252 -25.903 1.0 5.24 ? 75 A 3 +ATOM 1152 H HG22 . VAL A 1 75 ? -22.731 18.455 -24.791 1.0 61.35 ? 75 A 3 +ATOM 1153 H HG23 . VAL A 1 75 ? -21.011 18.069 -24.744 1.0 24.43 ? 75 A 3 +ATOM 1154 N N . LEU A 1 76 ? -23.614 14.252 -26.9 1.0 35.1 ? 76 A 3 +ATOM 1155 C CA . LEU A 1 76 ? -23.869 13.193 -27.87 1.0 22.53 ? 76 A 3 +ATOM 1156 C C . LEU A 1 76 ? -24.972 13.598 -28.842 1.0 2.14 ? 76 A 3 +ATOM 1157 O O . LEU A 1 76 ? -25.989 14.165 -28.442 1.0 21.5 ? 76 A 3 +ATOM 1158 C CB . LEU A 1 76 ? -24.257 11.899 -27.151 1.0 73.12 ? 76 A 3 +ATOM 1159 C CG . LEU A 1 76 ? -24.193 11.935 -25.624 1.0 64.45 ? 76 A 3 +ATOM 1160 C CD1 . LEU A 1 76 ? -25.435 12.602 -25.053 1.0 24.13 ? 76 A 3 +ATOM 1161 C CD2 . LEU A 1 76 ? -24.036 10.529 -25.064 1.0 22.03 ? 76 A 3 +ATOM 1162 H H . LEU A 1 76 ? -24.356 14.59 -26.357 1.0 44.32 ? 76 A 3 +ATOM 1163 H HA . LEU A 1 76 ? -22.958 13.027 -28.426 1.0 53.04 ? 76 A 3 +ATOM 1164 H HB2 . LEU A 1 76 ? -25.269 11.655 -27.434 1.0 71.31 ? 76 A 3 +ATOM 1165 H HB3 . LEU A 1 76 ? -23.592 11.119 -27.493 1.0 62.14 ? 76 A 3 +ATOM 1166 H HG . LEU A 1 76 ? -23.333 12.516 -25.319 1.0 42.11 ? 76 A 3 +ATOM 1167 H HD11 . LEU A 1 76 ? -26.266 12.452 -25.726 1.0 12.14 ? 76 A 3 +ATOM 1168 H HD12 . LEU A 1 76 ? -25.254 13.66 -24.936 1.0 23.21 ? 76 A 3 +ATOM 1169 H HD13 . LEU A 1 76 ? -25.667 12.168 -24.091 1.0 40.2 ? 76 A 3 +ATOM 1170 H HD21 . LEU A 1 76 ? -24.93 10.254 -24.525 1.0 53.24 ? 76 A 3 +ATOM 1171 H HD22 . LEU A 1 76 ? -23.189 10.502 -24.394 1.0 72.02 ? 76 A 3 +ATOM 1172 H HD23 . LEU A 1 76 ? -23.875 9.834 -25.875 1.0 63.4 ? 76 A 3 +ATOM 1173 N N . ARG A 1 77 ? -24.764 13.303 -30.121 1.0 50.44 ? 77 A 3 +ATOM 1174 C CA . ARG A 1 77 ? -25.741 13.636 -31.151 1.0 12.4 ? 77 A 3 +ATOM 1175 C C . ARG A 1 77 ? -26.295 12.373 -31.803 1.0 10.32 ? 77 A 3 +ATOM 1176 O O . ARG A 1 77 ? -26.109 12.146 -33.0 1.0 12.43 ? 77 A 3 +ATOM 1177 C CB . ARG A 1 77 ? -25.107 14.536 -32.214 1.0 55.35 ? 77 A 3 +ATOM 1178 C CG . ARG A 1 77 ? -24.351 15.721 -31.636 1.0 12.22 ? 77 A 3 +ATOM 1179 C CD . ARG A 1 77 ? -22.847 15.53 -31.748 1.0 60.22 ? 77 A 3 +ATOM 1180 N NE . ARG A 1 77 ? -22.252 16.432 -32.731 1.0 64.33 ? 77 A 3 +ATOM 1181 C CZ . ARG A 1 77 ? -22.141 17.743 -32.552 1.0 13.31 ? 77 A 3 +ATOM 1182 N NH1 . ARG A 1 77 ? -22.58 18.303 -31.434 1.0 63.3 ? 77 A 3 +ATOM 1183 N NH2 . ARG A 1 77 ? -21.588 18.498 -33.494 1.0 70.54 ? 77 A 3 +ATOM 1184 H H . ARG A 1 77 ? -23.933 12.851 -30.379 1.0 2.41 ? 77 A 3 +ATOM 1185 H HA . ARG A 1 77 ? -26.553 14.169 -30.678 1.0 53.23 ? 77 A 3 +ATOM 1186 H HB2 . ARG A 1 77 ? -24.417 13.948 -32.801 1.0 41.04 ? 77 A 3 +ATOM 1187 H HB3 . ARG A 1 77 ? -25.886 14.913 -32.859 1.0 23.23 ? 77 A 3 +ATOM 1188 H HG2 . ARG A 1 77 ? -24.631 16.613 -32.177 1.0 3.21 ? 77 A 3 +ATOM 1189 H HG3 . ARG A 1 77 ? -24.615 15.831 -30.595 1.0 45.32 ? 77 A 3 +ATOM 1190 H HD2 . ARG A 1 77 ? -22.4 15.72 -30.784 1.0 24.22 ? 77 A 3 +ATOM 1191 H HD3 . ARG A 1 77 ? -22.648 14.51 -32.042 1.0 55.12 ? 77 A 3 +ATOM 1192 H HE . ARG A 1 77 ? -21.921 16.039 -33.565 1.0 41.44 ? 77 A 3 +ATOM 1193 H HH11 . ARG A 1 77 ? -22.996 17.737 -30.722 1.0 31.24 ? 77 A 3 +ATOM 1194 H HH12 . ARG A 1 77 ? -22.494 19.291 -31.301 1.0 72.5 ? 77 A 3 +ATOM 1195 H HH21 . ARG A 1 77 ? -21.255 18.08 -34.338 1.0 71.34 ? 77 A 3 +ATOM 1196 H HH22 . ARG A 1 77 ? -21.505 19.485 -33.358 1.0 1.44 ? 77 A 3 +ATOM 1197 N N . LEU A 1 78 ? -26.976 11.554 -31.01 1.0 31.03 ? 78 A 3 +ATOM 1198 C CA . LEU A 1 78 ? -27.558 10.313 -31.51 1.0 51.32 ? 78 A 3 +ATOM 1199 C C . LEU A 1 78 ? -28.547 10.59 -32.638 1.0 14.11 ? 78 A 3 +ATOM 1200 O O . LEU A 1 78 ? -28.465 9.99 -33.709 1.0 12.31 ? 78 A 3 +ATOM 1201 C CB . LEU A 1 78 ? -28.258 9.561 -30.376 1.0 42.51 ? 78 A 3 +ATOM 1202 C CG . LEU A 1 78 ? -27.379 8.621 -29.55 1.0 51.45 ? 78 A 3 +ATOM 1203 C CD1 . LEU A 1 78 ? -26.298 9.404 -28.821 1.0 14.44 ? 78 A 3 +ATOM 1204 C CD2 . LEU A 1 78 ? -28.224 7.829 -28.563 1.0 25.32 ? 78 A 3 +ATOM 1205 H H . LEU A 1 78 ? -27.092 11.788 -30.066 1.0 75.31 ? 78 A 3 +ATOM 1206 H HA . LEU A 1 78 ? -26.755 9.701 -31.893 1.0 64.2 ? 78 A 3 +ATOM 1207 H HB2 . LEU A 1 78 ? -28.679 10.294 -29.705 1.0 61.14 ? 78 A 3 +ATOM 1208 H HB3 . LEU A 1 78 ? -29.054 8.974 -30.811 1.0 62.32 ? 78 A 3 +ATOM 1209 H HG . LEU A 1 78 ? -26.892 7.919 -30.213 1.0 53.42 ? 78 A 3 +ATOM 1210 H HD11 . LEU A 1 78 ? -25.407 9.441 -29.429 1.0 3.24 ? 78 A 3 +ATOM 1211 H HD12 . LEU A 1 78 ? -26.074 8.919 -27.882 1.0 74.14 ? 78 A 3 +ATOM 1212 H HD13 . LEU A 1 78 ? -26.647 10.409 -28.631 1.0 11.41 ? 78 A 3 +ATOM 1213 H HD21 . LEU A 1 78 ? -29.179 8.318 -28.435 1.0 65.32 ? 78 A 3 +ATOM 1214 H HD22 . LEU A 1 78 ? -27.714 7.779 -27.613 1.0 65.43 ? 78 A 3 +ATOM 1215 H HD23 . LEU A 1 78 ? -28.379 6.83 -28.943 1.0 34.04 ? 78 A 3 +ATOM 1216 N N . ARG A 1 79 ? -29.479 11.504 -32.389 1.0 44.5 ? 79 A 3 +ATOM 1217 C CA . ARG A 1 79 ? -30.482 11.861 -33.384 1.0 54.44 ? 79 A 3 +ATOM 1218 C C . ARG A 1 79 ? -31.251 10.628 -33.849 1.0 43.43 ? 79 A 3 +ATOM 1219 O O . ARG A 1 79 ? -31.105 9.544 -33.285 1.0 24.23 ? 79 A 3 +ATOM 1220 C CB . ARG A 1 79 ? -29.822 12.546 -34.582 1.0 53.1 ? 79 A 3 +ATOM 1221 C CG . ARG A 1 79 ? -30.393 13.921 -34.889 1.0 62.42 ? 79 A 3 +ATOM 1222 C CD . ARG A 1 79 ? -29.419 15.026 -34.511 1.0 15.2 ? 79 A 3 +ATOM 1223 N NE . ARG A 1 79 ? -29.671 16.256 -35.256 1.0 22.21 ? 79 A 3 +ATOM 1224 C CZ . ARG A 1 79 ? -30.714 17.048 -35.035 1.0 43.33 ? 79 A 3 +ATOM 1225 N NH1 . ARG A 1 79 ? -31.597 16.74 -34.095 1.0 51.34 ? 79 A 3 +ATOM 1226 N NH2 . ARG A 1 79 ? -30.875 18.152 -35.754 1.0 24.34 ? 79 A 3 +ATOM 1227 H H . ARG A 1 79 ? -29.492 11.948 -31.516 1.0 30.43 ? 79 A 3 +ATOM 1228 H HA . ARG A 1 79 ? -31.175 12.55 -32.924 1.0 75.12 ? 79 A 3 +ATOM 1229 H HB2 . ARG A 1 79 ? -28.766 12.655 -34.383 1.0 72.51 ? 79 A 3 +ATOM 1230 H HB3 . ARG A 1 79 ? -29.953 11.923 -35.454 1.0 62.3 ? 79 A 3 +ATOM 1231 H HG2 . ARG A 1 79 ? -30.601 13.987 -35.947 1.0 34.21 ? 79 A 3 +ATOM 1232 H HG3 . ARG A 1 79 ? -31.308 14.053 -34.331 1.0 51.44 ? 79 A 3 +ATOM 1233 H HD2 . ARG A 1 79 ? -29.517 15.229 -33.455 1.0 21.42 ? 79 A 3 +ATOM 1234 H HD3 . ARG A 1 79 ? -28.414 14.688 -34.72 1.0 24.22 ? 79 A 3 +ATOM 1235 H HE . ARG A 1 79 ? -29.03 16.503 -35.955 1.0 63.2 ? 79 A 3 +ATOM 1236 H HH11 . ARG A 1 79 ? -31.478 15.91 -33.551 1.0 0.03 ? 79 A 3 +ATOM 1237 H HH12 . ARG A 1 79 ? -32.381 17.339 -33.93 1.0 54.33 ? 79 A 3 +ATOM 1238 H HH21 . ARG A 1 79 ? -30.211 18.387 -36.463 1.0 72.3 ? 79 A 3 +ATOM 1239 H HH22 . ARG A 1 79 ? -31.66 18.747 -35.587 1.0 2.44 ? 79 A 3 +ATOM 1240 N N . GLY A 1 80 ? -32.07 10.802 -34.882 1.0 11.03 ? 80 A 3 +ATOM 1241 C CA . GLY A 1 80 ? -32.85 9.695 -35.405 1.0 3.12 ? 80 A 3 +ATOM 1242 C C . GLY A 1 80 ? -34.29 10.079 -35.681 1.0 52.34 ? 80 A 3 +ATOM 1243 O O . GLY A 1 80 ? -34.583 10.737 -36.678 1.0 43.44 ? 80 A 3 +ATOM 1244 H H . GLY A 1 80 ? -32.146 11.689 -35.292 1.0 0.24 ? 80 A 3 +ATOM 1245 H HA2 . GLY A 1 80 ? -32.397 9.352 -36.323 1.0 71.24 ? 80 A 3 +ATOM 1246 H HA3 . GLY A 1 80 ? -32.837 8.889 -34.685 1.0 43.14 ? 80 A 3 +ATOM 1247 N N . GLY A 1 81 ? -35.192 9.666 -34.796 1.0 43.34 ? 81 A 3 +ATOM 1248 C CA . GLY A 1 81 ? -36.598 9.979 -34.969 1.0 20.2 ? 81 A 3 +ATOM 1249 C C . GLY A 1 81 ? -37.332 8.926 -35.776 1.0 63.23 ? 81 A 3 +ATOM 1250 O O . GLY A 1 81 ? -36.826 8.447 -36.791 1.0 30.24 ? 81 A 3 +ATOM 1251 H H . GLY A 1 81 ? -34.9 9.144 -34.019 1.0 11.33 ? 81 A 3 +ATOM 1252 H HA2 . GLY A 1 81 ? -37.06 10.059 -33.996 1.0 30.51 ? 81 A 3 +ATOM 1253 H HA3 . GLY A 1 81 ? -36.684 10.929 -35.476 1.0 55.14 ? 81 A 3 +ATOM 1254 N N . VAL A 1 82 ? -38.528 8.563 -35.323 1.0 30.52 ? 82 A 3 +ATOM 1255 C CA . VAL A 1 82 ? -39.332 7.559 -36.01 1.0 4.45 ? 82 A 3 +ATOM 1256 C C . VAL A 1 82 ? -40.078 8.167 -37.193 1.0 63.52 ? 82 A 3 +ATOM 1257 O O . VAL A 1 82 ? -39.728 7.931 -38.349 1.0 12.52 ? 82 A 3 +ATOM 1258 C CB . VAL A 1 82 ? -40.35 6.907 -35.056 1.0 53.54 ? 82 A 3 +ATOM 1259 C CG1 . VAL A 1 82 ? -41.052 5.743 -35.738 1.0 33.31 ? 82 A 3 +ATOM 1260 C CG2 . VAL A 1 82 ? -39.665 6.452 -33.776 1.0 1.13 ? 82 A 3 +ATOM 1261 H H . VAL A 1 82 ? -38.878 8.981 -34.509 1.0 42.11 ? 82 A 3 +ATOM 1262 H HA . VAL A 1 82 ? -38.667 6.79 -36.374 1.0 65.12 ? 82 A 3 +ATOM 1263 H HB . VAL A 1 82 ? -41.095 7.645 -34.797 1.0 3.02 ? 82 A 3 +ATOM 1264 H HG11 . VAL A 1 82 ? -41.945 5.488 -35.186 1.0 71.54 ? 82 A 3 +ATOM 1265 H HG12 . VAL A 1 82 ? -41.318 6.023 -36.747 1.0 43.52 ? 82 A 3 +ATOM 1266 H HG13 . VAL A 1 82 ? -40.39 4.889 -35.764 1.0 60.31 ? 82 A 3 +ATOM 1267 H HG21 . VAL A 1 82 ? -40.367 5.902 -33.167 1.0 51.1 ? 82 A 3 +ATOM 1268 H HG22 . VAL A 1 82 ? -38.828 5.816 -34.024 1.0 43.42 ? 82 A 3 +ATOM 1269 H HG23 . VAL A 1 82 ? -39.312 7.314 -33.23 1.0 61.21 ? 82 A 3 +ATOM 1 N N . GLY A 1 1 ? -15.13 -4.109 -7.524 1.0 13.0 ? 1 A 4 +ATOM 2 C CA . GLY A 1 1 ? -14.03 -3.547 -6.762 1.0 45.03 ? 1 A 4 +ATOM 3 C C . GLY A 1 1 ? -13.407 -2.345 -7.444 1.0 65.21 ? 1 A 4 +ATOM 4 O O . GLY A 1 1 ? -12.323 -2.425 -8.023 1.0 33.34 ? 1 A 4 +ATOM 5 H H1 . GLY A 1 1 ? -15.976 -3.618 -7.594 1.0 52.4 ? 1 A 4 +ATOM 6 H HA2 . GLY A 1 1 ? -14.395 -3.248 -5.791 1.0 14.15 ? 1 A 4 +ATOM 7 H HA3 . GLY A 1 1 ? -13.272 -4.306 -6.633 1.0 34.23 ? 1 A 4 +ATOM 8 N N . PRO A 1 2 ? -14.102 -1.199 -7.382 1.0 55.32 ? 2 A 4 +ATOM 9 C CA . PRO A 1 2 ? -13.63 0.047 -7.995 1.0 21.43 ? 2 A 4 +ATOM 10 C C . PRO A 1 2 ? -12.42 0.626 -7.27 1.0 41.45 ? 2 A 4 +ATOM 11 O O . PRO A 1 2 ? -12.521 1.064 -6.123 1.0 62.42 ? 2 A 4 +ATOM 12 C CB . PRO A 1 2 ? -14.832 0.985 -7.863 1.0 51.45 ? 2 A 4 +ATOM 13 C CG . PRO A 1 2 ? -15.595 0.46 -6.696 1.0 43.11 ? 2 A 4 +ATOM 14 C CD . PRO A 1 2 ? -15.401 -1.031 -6.71 1.0 64.14 ? 2 A 4 +ATOM 15 H HA . PRO A 1 2 ? -13.391 -0.09 -9.039 1.0 31.54 ? 2 A 4 +ATOM 16 H HB2 . PRO A 1 2 ? -14.487 1.994 -7.689 1.0 42.4 ? 2 A 4 +ATOM 17 H HB3 . PRO A 1 2 ? -15.421 0.95 -8.767 1.0 62.54 ? 2 A 4 +ATOM 18 H HG2 . PRO A 1 2 ? -15.204 0.881 -5.782 1.0 3.22 ? 2 A 4 +ATOM 19 H HG3 . PRO A 1 2 ? -16.642 0.702 -6.804 1.0 51.14 ? 2 A 4 +ATOM 20 H HD2 . PRO A 1 2 ? -15.366 -1.416 -5.702 1.0 11.0 ? 2 A 4 +ATOM 21 H HD3 . PRO A 1 2 ? -16.19 -1.509 -7.272 1.0 24.12 ? 2 A 4 +ATOM 22 N N . LEU A 1 3 ? -11.276 0.628 -7.946 1.0 34.12 ? 3 A 4 +ATOM 23 C CA . LEU A 1 3 ? -10.045 1.155 -7.366 1.0 54.03 ? 3 A 4 +ATOM 24 C C . LEU A 1 3 ? -8.94 1.236 -8.415 1.0 63.21 ? 3 A 4 +ATOM 25 O O . LEU A 1 3 ? -8.731 0.299 -9.184 1.0 11.24 ? 3 A 4 +ATOM 26 C CB . LEU A 1 3 ? -9.592 0.278 -6.198 1.0 60.12 ? 3 A 4 +ATOM 27 C CG . LEU A 1 3 ? -9.307 -1.188 -6.529 1.0 64.13 ? 3 A 4 +ATOM 28 C CD1 . LEU A 1 3 ? -7.859 -1.366 -6.959 1.0 62.25 ? 3 A 4 +ATOM 29 C CD2 . LEU A 1 3 ? -9.625 -2.076 -5.336 1.0 0.12 ? 3 A 4 +ATOM 30 H H . LEU A 1 3 ? -11.257 0.266 -8.856 1.0 52.35 ? 3 A 4 +ATOM 31 H HA . LEU A 1 3 ? -10.251 2.15 -7.0 1.0 43.13 ? 3 A 4 +ATOM 32 H HB2 . LEU A 1 3 ? -8.688 0.707 -5.794 1.0 74.24 ? 3 A 4 +ATOM 33 H HB3 . LEU A 1 3 ? -10.368 0.303 -5.446 1.0 72.41 ? 3 A 4 +ATOM 34 H HG . LEU A 1 3 ? -9.939 -1.493 -7.352 1.0 43.5 ? 3 A 4 +ATOM 35 H HD11 . LEU A 1 3 ? -7.391 -0.398 -7.058 1.0 50.45 ? 3 A 4 +ATOM 36 H HD12 . LEU A 1 3 ? -7.826 -1.881 -7.907 1.0 4.34 ? 3 A 4 +ATOM 37 H HD13 . LEU A 1 3 ? -7.333 -1.947 -6.215 1.0 54.42 ? 3 A 4 +ATOM 38 H HD21 . LEU A 1 3 ? -9.144 -1.68 -4.454 1.0 23.33 ? 3 A 4 +ATOM 39 H HD22 . LEU A 1 3 ? -9.263 -3.076 -5.525 1.0 1.01 ? 3 A 4 +ATOM 40 H HD23 . LEU A 1 3 ? -10.694 -2.104 -5.182 1.0 75.24 ? 3 A 4 +ATOM 41 N N . GLY A 1 4 ? -8.234 2.362 -8.438 1.0 4.21 ? 4 A 4 +ATOM 42 C CA . GLY A 1 4 ? -7.158 2.543 -9.394 1.0 43.34 ? 4 A 4 +ATOM 43 C C . GLY A 1 4 ? -6.348 3.796 -9.124 1.0 32.24 ? 4 A 4 +ATOM 44 O O . GLY A 1 4 ? -5.897 4.022 -8.001 1.0 73.31 ? 4 A 4 +ATOM 45 H H . GLY A 1 4 ? -8.446 3.076 -7.8 1.0 2.13 ? 4 A 4 +ATOM 46 H HA2 . GLY A 1 4 ? -6.503 1.686 -9.349 1.0 53.5 ? 4 A 4 +ATOM 47 H HA3 . GLY A 1 4 ? -7.58 2.609 -10.386 1.0 61.41 ? 4 A 4 +ATOM 48 N N . SER A 1 5 ? -6.161 4.612 -10.157 1.0 14.33 ? 5 A 4 +ATOM 49 C CA . SER A 1 5 ? -5.394 5.846 -10.027 1.0 12.42 ? 5 A 4 +ATOM 50 C C . SER A 1 5 ? -6.297 7.005 -9.618 1.0 43.22 ? 5 A 4 +ATOM 51 O O . SER A 1 5 ? -6.175 7.543 -8.518 1.0 33.52 ? 5 A 4 +ATOM 52 C CB . SER A 1 5 ? -4.689 6.174 -11.344 1.0 72.02 ? 5 A 4 +ATOM 53 O OG . SER A 1 5 ? -3.513 6.932 -11.119 1.0 21.35 ? 5 A 4 +ATOM 54 H H . SER A 1 5 ? -6.546 4.377 -11.027 1.0 31.12 ? 5 A 4 +ATOM 55 H HA . SER A 1 5 ? -4.651 5.695 -9.258 1.0 12.32 ? 5 A 4 +ATOM 56 H HB2 . SER A 1 5 ? -4.42 5.255 -11.844 1.0 41.01 ? 5 A 4 +ATOM 57 H HB3 . SER A 1 5 ? -5.356 6.744 -11.974 1.0 74.13 ? 5 A 4 +ATOM 58 H HG . SER A 1 5 ? -2.827 6.361 -10.767 1.0 33.45 ? 5 A 4 +ATOM 59 N N . MET A 1 6 ? -7.204 7.385 -10.512 1.0 14.01 ? 6 A 4 +ATOM 60 C CA . MET A 1 6 ? -8.129 8.481 -10.244 1.0 54.33 ? 6 A 4 +ATOM 61 C C . MET A 1 6 ? -9.472 8.237 -10.926 1.0 31.44 ? 6 A 4 +ATOM 62 O O . MET A 1 6 ? -9.698 7.177 -11.508 1.0 1.11 ? 6 A 4 +ATOM 63 C CB . MET A 1 6 ? -7.534 9.807 -10.723 1.0 70.21 ? 6 A 4 +ATOM 64 C CG . MET A 1 6 ? -6.818 9.705 -12.059 1.0 25.05 ? 6 A 4 +ATOM 65 S SD . MET A 1 6 ? -5.033 9.519 -11.878 1.0 3.44 ? 6 A 4 +ATOM 66 C CE . MET A 1 6 ? -4.505 11.229 -11.958 1.0 13.21 ? 6 A 4 +ATOM 67 H H . MET A 1 6 ? -7.254 6.918 -11.372 1.0 2.32 ? 6 A 4 +ATOM 68 H HA . MET A 1 6 ? -8.283 8.53 -9.177 1.0 5.22 ? 6 A 4 +ATOM 69 H HB2 . MET A 1 6 ? -8.33 10.53 -10.819 1.0 62.43 ? 6 A 4 +ATOM 70 H HB3 . MET A 1 6 ? -6.827 10.157 -9.986 1.0 63.34 ? 6 A 4 +ATOM 71 H HG2 . MET A 1 6 ? -7.201 8.849 -12.594 1.0 33.13 ? 6 A 4 +ATOM 72 H HG3 . MET A 1 6 ? -7.017 10.601 -12.628 1.0 12.41 ? 6 A 4 +ATOM 73 H HE1 . MET A 1 6 ? -5.323 11.842 -12.309 1.0 12.23 ? 6 A 4 +ATOM 74 H HE2 . MET A 1 6 ? -4.205 11.559 -10.974 1.0 52.54 ? 6 A 4 +ATOM 75 H HE3 . MET A 1 6 ? -3.671 11.316 -12.637 1.0 2.41 ? 6 A 4 +ATOM 76 N N . GLN A 1 7 ? -10.358 9.225 -10.847 1.0 13.12 ? 7 A 4 +ATOM 77 C CA . GLN A 1 7 ? -11.678 9.115 -11.456 1.0 13.2 ? 7 A 4 +ATOM 78 C C . GLN A 1 7 ? -12.079 10.426 -12.126 1.0 42.42 ? 7 A 4 +ATOM 79 O O . GLN A 1 7 ? -11.556 11.49 -11.792 1.0 71.33 ? 7 A 4 +ATOM 80 C CB . GLN A 1 7 ? -12.718 8.729 -10.403 1.0 42.01 ? 7 A 4 +ATOM 81 C CG . GLN A 1 7 ? -12.232 7.668 -9.428 1.0 12.34 ? 7 A 4 +ATOM 82 C CD . GLN A 1 7 ? -13.196 7.444 -8.28 1.0 44.31 ? 7 A 4 +ATOM 83 O OE1 . GLN A 1 7 ? -14.345 7.885 -8.325 1.0 33.44 ? 7 A 4 +ATOM 84 N NE2 . GLN A 1 7 ? -12.734 6.755 -7.244 1.0 73.32 ? 7 A 4 +ATOM 85 H H . GLN A 1 7 ? -10.118 10.045 -10.369 1.0 71.21 ? 7 A 4 +ATOM 86 H HA . GLN A 1 7 ? -11.634 8.341 -12.206 1.0 62.03 ? 7 A 4 +ATOM 87 H HB2 . GLN A 1 7 ? -12.986 9.61 -9.838 1.0 13.25 ? 7 A 4 +ATOM 88 H HB3 . GLN A 1 7 ? -13.597 8.351 -10.904 1.0 41.42 ? 7 A 4 +ATOM 89 H HG2 . GLN A 1 7 ? -12.109 6.737 -9.962 1.0 43.33 ? 7 A 4 +ATOM 90 H HG3 . GLN A 1 7 ? -11.28 7.978 -9.024 1.0 33.21 ? 7 A 4 +ATOM 91 H HE21 . GLN A 1 7 ? -11.807 6.436 -7.277 1.0 52.01 ? 7 A 4 +ATOM 92 H HE22 . GLN A 1 7 ? -13.335 6.597 -6.488 1.0 55.43 ? 7 A 4 +ATOM 93 N N . ILE A 1 8 ? -13.008 10.341 -13.072 1.0 12.12 ? 8 A 4 +ATOM 94 C CA . ILE A 1 8 ? -13.478 11.52 -13.788 1.0 64.2 ? 8 A 4 +ATOM 95 C C . ILE A 1 8 ? -15.001 11.591 -13.79 1.0 0.33 ? 8 A 4 +ATOM 96 O O . ILE A 1 8 ? -15.681 10.571 -13.671 1.0 11.35 ? 8 A 4 +ATOM 97 C CB . ILE A 1 8 ? -12.973 11.533 -15.243 1.0 65.34 ? 8 A 4 +ATOM 98 C CG1 . ILE A 1 8 ? -12.115 10.297 -15.52 1.0 72.33 ? 8 A 4 +ATOM 99 C CG2 . ILE A 1 8 ? -12.185 12.805 -15.519 1.0 55.24 ? 8 A 4 +ATOM 100 C CD1 . ILE A 1 8 ? -11.73 10.142 -16.975 1.0 11.02 ? 8 A 4 +ATOM 101 H H . ILE A 1 8 ? -13.386 9.464 -13.293 1.0 43.45 ? 8 A 4 +ATOM 102 H HA . ILE A 1 8 ? -13.088 12.393 -13.285 1.0 41.41 ? 8 A 4 +ATOM 103 H HB . ILE A 1 8 ? -13.831 11.521 -15.898 1.0 13.24 ? 8 A 4 +ATOM 104 H HG12 . ILE A 1 8 ? -11.206 10.362 -14.942 1.0 4.11 ? 8 A 4 +ATOM 105 H HG13 . ILE A 1 8 ? -12.663 9.414 -15.224 1.0 33.41 ? 8 A 4 +ATOM 106 H HG21 . ILE A 1 8 ? -12.87 13.617 -15.714 1.0 12.11 ? 8 A 4 +ATOM 107 H HG22 . ILE A 1 8 ? -11.579 13.046 -14.658 1.0 14.43 ? 8 A 4 +ATOM 108 H HG23 . ILE A 1 8 ? -11.549 12.656 -16.378 1.0 53.13 ? 8 A 4 +ATOM 109 H HD11 . ILE A 1 8 ? -10.668 9.956 -17.048 1.0 4.51 ? 8 A 4 +ATOM 110 H HD12 . ILE A 1 8 ? -12.27 9.31 -17.403 1.0 22.53 ? 8 A 4 +ATOM 111 H HD13 . ILE A 1 8 ? -11.975 11.046 -17.511 1.0 32.23 ? 8 A 4 +ATOM 112 N N . PHE A 1 9 ? -15.532 12.802 -13.927 1.0 44.42 ? 9 A 4 +ATOM 113 C CA . PHE A 1 9 ? -16.975 13.006 -13.945 1.0 45.42 ? 9 A 4 +ATOM 114 C C . PHE A 1 9 ? -17.451 13.401 -15.34 1.0 62.05 ? 9 A 4 +ATOM 115 O O . PHE A 1 9 ? -16.954 14.36 -15.93 1.0 33.13 ? 9 A 4 +ATOM 116 C CB . PHE A 1 9 ? -17.371 14.085 -12.935 1.0 42.3 ? 9 A 4 +ATOM 117 C CG . PHE A 1 9 ? -18.024 13.538 -11.698 1.0 44.44 ? 9 A 4 +ATOM 118 C CD1 . PHE A 1 9 ? -19.246 12.889 -11.773 1.0 24.21 ? 9 A 4 +ATOM 119 C CD2 . PHE A 1 9 ? -17.416 13.673 -10.46 1.0 24.11 ? 9 A 4 +ATOM 120 C CE1 . PHE A 1 9 ? -19.849 12.384 -10.636 1.0 54.33 ? 9 A 4 +ATOM 121 C CE2 . PHE A 1 9 ? -18.014 13.169 -9.321 1.0 62.43 ? 9 A 4 +ATOM 122 C CZ . PHE A 1 9 ? -19.233 12.525 -9.409 1.0 72.21 ? 9 A 4 +ATOM 123 H H . PHE A 1 9 ? -14.937 13.576 -14.018 1.0 15.35 ? 9 A 4 +ATOM 124 H HA . PHE A 1 9 ? -17.445 12.076 -13.667 1.0 72.15 ? 9 A 4 +ATOM 125 H HB2 . PHE A 1 9 ? -16.488 14.626 -12.632 1.0 13.22 ? 9 A 4 +ATOM 126 H HB3 . PHE A 1 9 ? -18.064 14.769 -13.403 1.0 20.44 ? 9 A 4 +ATOM 127 H HD1 . PHE A 1 9 ? -19.73 12.778 -12.733 1.0 63.23 ? 9 A 4 +ATOM 128 H HD2 . PHE A 1 9 ? -16.463 14.177 -10.39 1.0 43.5 ? 9 A 4 +ATOM 129 H HE1 . PHE A 1 9 ? -20.802 11.881 -10.709 1.0 53.21 ? 9 A 4 +ATOM 130 H HE2 . PHE A 1 9 ? -17.53 13.281 -8.362 1.0 61.25 ? 9 A 4 +ATOM 131 H HZ . PHE A 1 9 ? -19.702 12.131 -8.52 1.0 11.33 ? 9 A 4 +ATOM 132 N N . VAL A 1 10 ? -18.417 12.652 -15.863 1.0 35.51 ? 10 A 4 +ATOM 133 C CA . VAL A 1 10 ? -18.962 12.922 -17.188 1.0 51.35 ? 10 A 4 +ATOM 134 C C . VAL A 1 10 ? -20.435 13.308 -17.109 1.0 20.3 ? 10 A 4 +ATOM 135 O O . VAL A 1 10 ? -21.242 12.599 -16.507 1.0 33.54 ? 10 A 4 +ATOM 136 C CB . VAL A 1 10 ? -18.811 11.702 -18.116 1.0 1.24 ? 10 A 4 +ATOM 137 C CG1 . VAL A 1 10 ? -18.829 12.135 -19.574 1.0 43.55 ? 10 A 4 +ATOM 138 C CG2 . VAL A 1 10 ? -17.534 10.942 -17.793 1.0 70.41 ? 10 A 4 +ATOM 139 H H . VAL A 1 10 ? -18.773 11.9 -15.344 1.0 13.11 ? 10 A 4 +ATOM 140 H HA . VAL A 1 10 ? -18.407 13.744 -17.616 1.0 52.2 ? 10 A 4 +ATOM 141 H HB . VAL A 1 10 ? -19.65 11.043 -17.949 1.0 21.21 ? 10 A 4 +ATOM 142 H HG11 . VAL A 1 10 ? -18.296 11.409 -20.171 1.0 75.22 ? 10 A 4 +ATOM 143 H HG12 . VAL A 1 10 ? -19.851 12.206 -19.917 1.0 54.41 ? 10 A 4 +ATOM 144 H HG13 . VAL A 1 10 ? -18.349 13.099 -19.669 1.0 61.31 ? 10 A 4 +ATOM 145 H HG21 . VAL A 1 10 ? -17.65 10.426 -16.851 1.0 13.24 ? 10 A 4 +ATOM 146 H HG22 . VAL A 1 10 ? -17.335 10.225 -18.575 1.0 62.44 ? 10 A 4 +ATOM 147 H HG23 . VAL A 1 10 ? -16.709 11.636 -17.722 1.0 2.35 ? 10 A 4 +ATOM 148 N N . LYS A 1 11 ? -20.779 14.436 -17.721 1.0 23.3 ? 11 A 4 +ATOM 149 C CA . LYS A 1 11 ? -22.155 14.917 -17.723 1.0 10.31 ? 11 A 4 +ATOM 150 C C . LYS A 1 11 ? -22.798 14.722 -19.092 1.0 22.12 ? 11 A 4 +ATOM 151 O O . LYS A 1 11 ? -22.395 15.346 -20.074 1.0 63.21 ? 11 A 4 +ATOM 152 C CB . LYS A 1 11 ? -22.201 16.396 -17.332 1.0 34.41 ? 11 A 4 +ATOM 153 C CG . LYS A 1 11 ? -23.536 17.06 -17.621 1.0 63.11 ? 11 A 4 +ATOM 154 C CD . LYS A 1 11 ? -23.524 18.528 -17.229 1.0 3.15 ? 11 A 4 +ATOM 155 C CE . LYS A 1 11 ? -23.214 19.421 -18.421 1.0 2.52 ? 11 A 4 +ATOM 156 N NZ . LYS A 1 11 ? -23.396 20.863 -18.096 1.0 51.12 ? 11 A 4 +ATOM 157 H H . LYS A 1 11 ? -20.09 14.958 -18.184 1.0 4.15 ? 11 A 4 +ATOM 158 H HA . LYS A 1 11 ? -22.708 14.343 -16.994 1.0 44.21 ? 11 A 4 +ATOM 159 H HB2 . LYS A 1 11 ? -22.001 16.482 -16.274 1.0 75.01 ? 11 A 4 +ATOM 160 H HB3 . LYS A 1 11 ? -21.434 16.924 -17.879 1.0 15.43 ? 11 A 4 +ATOM 161 H HG2 . LYS A 1 11 ? -23.745 16.983 -18.678 1.0 73.24 ? 11 A 4 +ATOM 162 H HG3 . LYS A 1 11 ? -24.309 16.553 -17.061 1.0 30.03 ? 11 A 4 +ATOM 163 H HD2 . LYS A 1 11 ? -24.495 18.795 -16.837 1.0 63.51 ? 11 A 4 +ATOM 164 H HD3 . LYS A 1 11 ? -22.772 18.683 -16.468 1.0 61.22 ? 11 A 4 +ATOM 165 H HE2 . LYS A 1 11 ? -22.19 19.255 -18.721 1.0 70.24 ? 11 A 4 +ATOM 166 H HE3 . LYS A 1 11 ? -23.874 19.157 -19.233 1.0 3.13 ? 11 A 4 +ATOM 167 H HZ1 . LYS A 1 11 ? -22.64 21.426 -18.534 1.0 1.34 ? 11 A 4 +ATOM 168 H HZ2 . LYS A 1 11 ? -23.366 21.003 -17.066 1.0 61.44 ? 11 A 4 +ATOM 169 H HZ3 . LYS A 1 11 ? -24.314 21.196 -18.453 1.0 12.11 ? 11 A 4 +ATOM 170 N N . THR A 1 12 ? -23.803 13.853 -19.151 1.0 60.33 ? 12 A 4 +ATOM 171 C CA . THR A 1 12 ? -24.501 13.576 -20.4 1.0 63.11 ? 12 A 4 +ATOM 172 C C . THR A 1 12 ? -25.407 14.738 -20.792 1.0 63.2 ? 12 A 4 +ATOM 173 O O . THR A 1 12 ? -25.77 15.565 -19.955 1.0 23.14 ? 12 A 4 +ATOM 174 C CB . THR A 1 12 ? -25.347 12.293 -20.298 1.0 13.53 ? 12 A 4 +ATOM 175 O OG1 . THR A 1 12 ? -26.496 12.527 -19.477 1.0 44.22 ? 12 A 4 +ATOM 176 C CG2 . THR A 1 12 ? -24.528 11.149 -19.718 1.0 44.25 ? 12 A 4 +ATOM 177 H H . THR A 1 12 ? -24.078 13.386 -18.335 1.0 50.31 ? 12 A 4 +ATOM 178 H HA . THR A 1 12 ? -23.76 13.433 -21.173 1.0 15.31 ? 12 A 4 +ATOM 179 H HB . THR A 1 12 ? -25.673 12.015 -21.29 1.0 3.11 ? 12 A 4 +ATOM 180 H HG1 . THR A 1 12 ? -27.139 11.828 -19.619 1.0 54.01 ? 12 A 4 +ATOM 181 H HG21 . THR A 1 12 ? -23.677 10.959 -20.354 1.0 54.24 ? 12 A 4 +ATOM 182 H HG22 . THR A 1 12 ? -25.14 10.261 -19.66 1.0 51.32 ? 12 A 4 +ATOM 183 H HG23 . THR A 1 12 ? -24.186 11.417 -18.73 1.0 74.05 ? 12 A 4 +ATOM 184 N N . LEU A 1 13 ? -25.769 14.795 -22.069 1.0 74.21 ? 13 A 4 +ATOM 185 C CA . LEU A 1 13 ? -26.634 15.856 -22.573 1.0 74.52 ? 13 A 4 +ATOM 186 C C . LEU A 1 13 ? -27.972 15.861 -21.841 1.0 25.21 ? 13 A 4 +ATOM 187 O O . LEU A 1 13 ? -28.697 16.857 -21.854 1.0 11.35 ? 13 A 4 +ATOM 188 C CB . LEU A 1 13 ? -26.862 15.685 -24.075 1.0 31.51 ? 13 A 4 +ATOM 189 C CG . LEU A 1 13 ? -27.507 16.87 -24.796 1.0 30.32 ? 13 A 4 +ATOM 190 C CD1 . LEU A 1 13 ? -26.454 17.899 -25.178 1.0 44.31 ? 13 A 4 +ATOM 191 C CD2 . LEU A 1 13 ? -28.265 16.397 -26.027 1.0 64.01 ? 13 A 4 +ATOM 192 H H . LEU A 1 13 ? -25.448 14.107 -22.689 1.0 42.02 ? 13 A 4 +ATOM 193 H HA . LEU A 1 13 ? -26.138 16.799 -22.397 1.0 34.1 ? 13 A 4 +ATOM 194 H HB2 . LEU A 1 13 ? -25.904 15.5 -24.536 1.0 62.11 ? 13 A 4 +ATOM 195 H HB3 . LEU A 1 13 ? -27.5 14.824 -24.217 1.0 43.21 ? 13 A 4 +ATOM 196 H HG . LEU A 1 13 ? -28.213 17.347 -24.13 1.0 45.4 ? 13 A 4 +ATOM 197 H HD11 . LEU A 1 13 ? -26.699 18.849 -24.727 1.0 62.23 ? 13 A 4 +ATOM 198 H HD12 . LEU A 1 13 ? -26.429 18.006 -26.252 1.0 23.44 ? 13 A 4 +ATOM 199 H HD13 . LEU A 1 13 ? -25.487 17.572 -24.826 1.0 25.55 ? 13 A 4 +ATOM 200 H HD21 . LEU A 1 13 ? -29.16 15.877 -25.721 1.0 62.14 ? 13 A 4 +ATOM 201 H HD22 . LEU A 1 13 ? -27.639 15.73 -26.601 1.0 41.34 ? 13 A 4 +ATOM 202 H HD23 . LEU A 1 13 ? -28.533 17.25 -26.634 1.0 51.42 ? 13 A 4 +ATOM 203 N N . THR A 1 14 ? -28.295 14.741 -21.2 1.0 31.41 ? 14 A 4 +ATOM 204 C CA . THR A 1 14 ? -29.545 14.616 -20.462 1.0 30.33 ? 14 A 4 +ATOM 205 C C . THR A 1 14 ? -29.377 15.067 -19.016 1.0 22.13 ? 14 A 4 +ATOM 206 O O . THR A 1 14 ? -30.284 14.916 -18.198 1.0 5.31 ? 14 A 4 +ATOM 207 C CB . THR A 1 14 ? -30.065 13.166 -20.478 1.0 34.54 ? 14 A 4 +ATOM 208 O OG1 . THR A 1 14 ? -29.242 12.341 -19.646 1.0 3.22 ? 14 A 4 +ATOM 209 C CG2 . THR A 1 14 ? -30.079 12.613 -21.895 1.0 34.11 ? 14 A 4 +ATOM 210 H H . THR A 1 14 ? -27.676 13.982 -21.226 1.0 2.31 ? 14 A 4 +ATOM 211 H HA . THR A 1 14 ? -30.281 15.246 -20.942 1.0 25.44 ? 14 A 4 +ATOM 212 H HB . THR A 1 14 ? -31.075 13.158 -20.094 1.0 55.24 ? 14 A 4 +ATOM 213 H HG1 . THR A 1 14 ? -29.792 11.71 -19.177 1.0 24.42 ? 14 A 4 +ATOM 214 H HG21 . THR A 1 14 ? -29.926 13.418 -22.597 1.0 1.02 ? 14 A 4 +ATOM 215 H HG22 . THR A 1 14 ? -31.032 12.143 -22.089 1.0 12.23 ? 14 A 4 +ATOM 216 H HG23 . THR A 1 14 ? -29.29 11.884 -22.005 1.0 12.42 ? 14 A 4 +ATOM 217 N N . GLY A 1 15 ? -28.21 15.623 -18.705 1.0 61.2 ? 15 A 4 +ATOM 218 C CA . GLY A 1 15 ? -27.944 16.088 -17.357 1.0 25.44 ? 15 A 4 +ATOM 219 C C . GLY A 1 15 ? -27.766 14.948 -16.374 1.0 2.34 ? 15 A 4 +ATOM 220 O O . GLY A 1 15 ? -28.458 14.879 -15.359 1.0 24.03 ? 15 A 4 +ATOM 221 H H . GLY A 1 15 ? -27.523 15.718 -19.398 1.0 73.22 ? 15 A 4 +ATOM 222 H HA2 . GLY A 1 15 ? -27.046 16.687 -17.364 1.0 10.15 ? 15 A 4 +ATOM 223 H HA3 . GLY A 1 15 ? -28.771 16.702 -17.031 1.0 23.53 ? 15 A 4 +ATOM 224 N N . LYS A 1 16 ? -26.836 14.049 -16.677 1.0 11.21 ? 16 A 4 +ATOM 225 C CA . LYS A 1 16 ? -26.568 12.904 -15.814 1.0 34.13 ? 16 A 4 +ATOM 226 C C . LYS A 1 16 ? -25.103 12.874 -15.391 1.0 15.24 ? 16 A 4 +ATOM 227 O O . LYS A 1 16 ? -24.204 12.801 -16.23 1.0 50.04 ? 16 A 4 +ATOM 228 C CB . LYS A 1 16 ? -26.929 11.602 -16.532 1.0 31.42 ? 16 A 4 +ATOM 229 C CG . LYS A 1 16 ? -27.442 10.517 -15.602 1.0 73.35 ? 16 A 4 +ATOM 230 C CD . LYS A 1 16 ? -26.31 9.643 -15.087 1.0 50.3 ? 16 A 4 +ATOM 231 C CE . LYS A 1 16 ? -25.706 8.8 -16.199 1.0 52.44 ? 16 A 4 +ATOM 232 N NZ . LYS A 1 16 ? -26.063 7.361 -16.06 1.0 2.53 ? 16 A 4 +ATOM 233 H H . LYS A 1 16 ? -26.316 14.158 -17.501 1.0 52.54 ? 16 A 4 +ATOM 234 H HA . LYS A 1 16 ? -27.183 13.002 -14.933 1.0 34.34 ? 16 A 4 +ATOM 235 H HB2 . LYS A 1 16 ? -27.695 11.81 -17.265 1.0 44.24 ? 16 A 4 +ATOM 236 H HB3 . LYS A 1 16 ? -26.051 11.228 -17.038 1.0 12.13 ? 16 A 4 +ATOM 237 H HG2 . LYS A 1 16 ? -27.936 10.98 -14.76 1.0 3.41 ? 16 A 4 +ATOM 238 H HG3 . LYS A 1 16 ? -28.146 9.897 -16.139 1.0 74.14 ? 16 A 4 +ATOM 239 H HD2 . LYS A 1 16 ? -25.539 10.276 -14.671 1.0 63.23 ? 16 A 4 +ATOM 240 H HD3 . LYS A 1 16 ? -26.693 8.988 -14.318 1.0 14.51 ? 16 A 4 +ATOM 241 H HE2 . LYS A 1 16 ? -26.072 9.163 -17.147 1.0 44.12 ? 16 A 4 +ATOM 242 H HE3 . LYS A 1 16 ? -24.631 8.9 -16.166 1.0 75.31 ? 16 A 4 +ATOM 243 H HZ1 . LYS A 1 16 ? -25.929 7.053 -15.076 1.0 61.55 ? 16 A 4 +ATOM 244 H HZ2 . LYS A 1 16 ? -25.46 6.782 -16.679 1.0 23.15 ? 16 A 4 +ATOM 245 H HZ3 . LYS A 1 16 ? -27.057 7.212 -16.326 1.0 43.23 ? 16 A 4 +ATOM 246 N N . THR A 1 17 ? -24.868 12.929 -14.083 1.0 33.03 ? 17 A 4 +ATOM 247 C CA . THR A 1 17 ? -23.512 12.907 -13.549 1.0 61.21 ? 17 A 4 +ATOM 248 C C . THR A 1 17 ? -23.043 11.478 -13.296 1.0 13.11 ? 17 A 4 +ATOM 249 O O . THR A 1 17 ? -23.636 10.753 -12.497 1.0 32.24 ? 17 A 4 +ATOM 250 C CB . THR A 1 17 ? -23.413 13.707 -12.236 1.0 22.54 ? 17 A 4 +ATOM 251 O OG1 . THR A 1 17 ? -24.667 13.674 -11.546 1.0 24.32 ? 17 A 4 +ATOM 252 C CG2 . THR A 1 17 ? -23.017 15.15 -12.511 1.0 72.42 ? 17 A 4 +ATOM 253 H H . THR A 1 17 ? -25.626 12.986 -13.465 1.0 63.53 ? 17 A 4 +ATOM 254 H HA . THR A 1 17 ? -22.859 13.366 -14.276 1.0 15.15 ? 17 A 4 +ATOM 255 H HB . THR A 1 17 ? -22.655 13.254 -11.612 1.0 61.22 ? 17 A 4 +ATOM 256 H HG1 . THR A 1 17 ? -24.703 14.394 -10.912 1.0 54.0 ? 17 A 4 +ATOM 257 H HG21 . THR A 1 17 ? -23.893 15.779 -12.458 1.0 31.34 ? 17 A 4 +ATOM 258 H HG22 . THR A 1 17 ? -22.582 15.223 -13.496 1.0 12.24 ? 17 A 4 +ATOM 259 H HG23 . THR A 1 17 ? -22.297 15.472 -11.773 1.0 74.01 ? 17 A 4 +ATOM 260 N N . ILE A 1 18 ? -21.977 11.081 -13.981 1.0 21.15 ? 18 A 4 +ATOM 261 C CA . ILE A 1 18 ? -21.428 9.739 -13.829 1.0 42.23 ? 18 A 4 +ATOM 262 C C . ILE A 1 18 ? -19.948 9.788 -13.466 1.0 2.02 ? 18 A 4 +ATOM 263 O O . ILE A 1 18 ? -19.206 10.645 -13.948 1.0 34.24 ? 18 A 4 +ATOM 264 C CB . ILE A 1 18 ? -21.602 8.911 -15.116 1.0 20.13 ? 18 A 4 +ATOM 265 C CG1 . ILE A 1 18 ? -20.806 7.607 -15.02 1.0 0.43 ? 18 A 4 +ATOM 266 C CG2 . ILE A 1 18 ? -21.164 9.717 -16.329 1.0 34.34 ? 18 A 4 +ATOM 267 C CD1 . ILE A 1 18 ? -21.088 6.643 -16.151 1.0 41.12 ? 18 A 4 +ATOM 268 H H . ILE A 1 18 ? -21.548 11.705 -14.603 1.0 72.35 ? 18 A 4 +ATOM 269 H HA . ILE A 1 18 ? -21.967 9.247 -13.032 1.0 33.1 ? 18 A 4 +ATOM 270 H HB . ILE A 1 18 ? -22.65 8.677 -15.228 1.0 55.23 ? 18 A 4 +ATOM 271 H HG12 . ILE A 1 18 ? -19.752 7.834 -15.034 1.0 35.45 ? 18 A 4 +ATOM 272 H HG13 . ILE A 1 18 ? -21.052 7.112 -14.092 1.0 15.51 ? 18 A 4 +ATOM 273 H HG21 . ILE A 1 18 ? -20.259 10.259 -16.093 1.0 31.24 ? 18 A 4 +ATOM 274 H HG22 . ILE A 1 18 ? -20.976 9.05 -17.156 1.0 60.32 ? 18 A 4 +ATOM 275 H HG23 . ILE A 1 18 ? -21.942 10.416 -16.597 1.0 71.44 ? 18 A 4 +ATOM 276 H HD11 . ILE A 1 18 ? -21.599 7.163 -16.949 1.0 32.31 ? 18 A 4 +ATOM 277 H HD12 . ILE A 1 18 ? -20.157 6.242 -16.524 1.0 60.24 ? 18 A 4 +ATOM 278 H HD13 . ILE A 1 18 ? -21.71 5.837 -15.792 1.0 25.35 ? 18 A 4 +ATOM 279 N N . THR A 1 19 ? -19.522 8.862 -12.612 1.0 42.32 ? 19 A 4 +ATOM 280 C CA . THR A 1 19 ? -18.131 8.799 -12.184 1.0 41.24 ? 19 A 4 +ATOM 281 C C . THR A 1 19 ? -17.468 7.51 -12.657 1.0 70.21 ? 19 A 4 +ATOM 282 O O . THR A 1 19 ? -18.069 6.436 -12.602 1.0 44.42 ? 19 A 4 +ATOM 283 C CB . THR A 1 19 ? -18.009 8.893 -10.651 1.0 2.4 ? 19 A 4 +ATOM 284 O OG1 . THR A 1 19 ? -19.274 9.249 -10.081 1.0 22.32 ? 19 A 4 +ATOM 285 C CG2 . THR A 1 19 ? -16.96 9.92 -10.253 1.0 13.14 ? 19 A 4 +ATOM 286 H H . THR A 1 19 ? -20.161 8.207 -12.262 1.0 1.15 ? 19 A 4 +ATOM 287 H HA . THR A 1 19 ? -17.61 9.64 -12.618 1.0 65.43 ? 19 A 4 +ATOM 288 H HB . THR A 1 19 ? -17.71 7.927 -10.269 1.0 44.24 ? 19 A 4 +ATOM 289 H HG1 . THR A 1 19 ? -19.487 8.64 -9.369 1.0 60.25 ? 19 A 4 +ATOM 290 H HG21 . THR A 1 19 ? -15.987 9.454 -10.244 1.0 73.33 ? 19 A 4 +ATOM 291 H HG22 . THR A 1 19 ? -17.186 10.302 -9.269 1.0 23.45 ? 19 A 4 +ATOM 292 H HG23 . THR A 1 19 ? -16.964 10.732 -10.965 1.0 51.03 ? 19 A 4 +ATOM 293 N N . ILE A 1 20 ? -16.228 7.623 -13.119 1.0 2.13 ? 20 A 4 +ATOM 294 C CA . ILE A 1 20 ? -15.484 6.465 -13.6 1.0 23.24 ? 20 A 4 +ATOM 295 C C . ILE A 1 20 ? -14.011 6.561 -13.218 1.0 21.51 ? 20 A 4 +ATOM 296 O O . ILE A 1 20 ? -13.374 7.596 -13.415 1.0 3.54 ? 20 A 4 +ATOM 297 C CB . ILE A 1 20 ? -15.597 6.317 -15.128 1.0 55.55 ? 20 A 4 +ATOM 298 C CG1 . ILE A 1 20 ? -15.636 7.695 -15.794 1.0 1.5 ? 20 A 4 +ATOM 299 C CG2 . ILE A 1 20 ? -16.836 5.513 -15.492 1.0 1.32 ? 20 A 4 +ATOM 300 C CD1 . ILE A 1 20 ? -14.951 7.733 -17.142 1.0 2.4 ? 20 A 4 +ATOM 301 H H . ILE A 1 20 ? -15.803 8.505 -13.137 1.0 32.52 ? 20 A 4 +ATOM 302 H HA . ILE A 1 20 ? -15.907 5.583 -13.14 1.0 40.32 ? 20 A 4 +ATOM 303 H HB . ILE A 1 20 ? -14.731 5.779 -15.481 1.0 75.22 ? 20 A 4 +ATOM 304 H HG12 . ILE A 1 20 ? -16.663 7.991 -15.936 1.0 4.24 ? 20 A 4 +ATOM 305 H HG13 . ILE A 1 20 ? -15.145 8.411 -15.151 1.0 20.02 ? 20 A 4 +ATOM 306 H HG21 . ILE A 1 20 ? -17.002 4.75 -14.746 1.0 41.11 ? 20 A 4 +ATOM 307 H HG22 . ILE A 1 20 ? -17.693 6.169 -15.531 1.0 51.34 ? 20 A 4 +ATOM 308 H HG23 . ILE A 1 20 ? -16.694 5.048 -16.456 1.0 74.34 ? 20 A 4 +ATOM 309 H HD11 . ILE A 1 20 ? -15.089 6.786 -17.643 1.0 44.23 ? 20 A 4 +ATOM 310 H HD12 . ILE A 1 20 ? -15.38 8.522 -17.742 1.0 43.31 ? 20 A 4 +ATOM 311 H HD13 . ILE A 1 20 ? -13.896 7.916 -17.006 1.0 23.14 ? 20 A 4 +ATOM 312 N N . ASP A 1 21 ? -13.475 5.475 -12.672 1.0 44.41 ? 21 A 4 +ATOM 313 C CA . ASP A 1 21 ? -12.075 5.435 -12.265 1.0 13.43 ? 21 A 4 +ATOM 314 C C . ASP A 1 21 ? -11.171 5.124 -13.454 1.0 74.52 ? 21 A 4 +ATOM 315 O O . ASP A 1 21 ? -11.327 4.096 -14.113 1.0 3.25 ? 21 A 4 +ATOM 316 C CB . ASP A 1 21 ? -11.871 4.391 -11.166 1.0 40.32 ? 21 A 4 +ATOM 317 C CG . ASP A 1 21 ? -12.204 2.987 -11.633 1.0 70.32 ? 21 A 4 +ATOM 318 O OD1 . ASP A 1 21 ? -13.365 2.754 -12.031 1.0 34.41 ? 21 A 4 +ATOM 319 O OD2 . ASP A 1 21 ? -11.305 2.122 -11.601 1.0 4.34 ? 21 A 4 +ATOM 320 H H . ASP A 1 21 ? -14.034 4.681 -12.541 1.0 61.24 ? 21 A 4 +ATOM 321 H HA . ASP A 1 21 ? -11.815 6.408 -11.876 1.0 0.1 ? 21 A 4 +ATOM 322 H HB2 . ASP A 1 21 ? -10.838 4.408 -10.849 1.0 73.15 ? 21 A 4 +ATOM 323 H HB3 . ASP A 1 21 ? -12.505 4.632 -10.327 1.0 61.23 ? 21 A 4 +ATOM 324 N N . VAL A 1 22 ? -10.227 6.02 -13.724 1.0 30.34 ? 22 A 4 +ATOM 325 C CA . VAL A 1 22 ? -9.298 5.842 -14.833 1.0 1.34 ? 22 A 4 +ATOM 326 C C . VAL A 1 22 ? -7.868 6.154 -14.409 1.0 61.2 ? 22 A 4 +ATOM 327 O O . VAL A 1 22 ? -7.64 6.78 -13.373 1.0 34.03 ? 22 A 4 +ATOM 328 C CB . VAL A 1 22 ? -9.675 6.737 -16.029 1.0 60.13 ? 22 A 4 +ATOM 329 C CG1 . VAL A 1 22 ? -11.14 7.137 -15.957 1.0 14.0 ? 22 A 4 +ATOM 330 C CG2 . VAL A 1 22 ? -8.779 7.966 -16.077 1.0 61.12 ? 22 A 4 +ATOM 331 H H . VAL A 1 22 ? -10.153 6.82 -13.162 1.0 71.0 ? 22 A 4 +ATOM 332 H HA . VAL A 1 22 ? -9.352 4.811 -15.151 1.0 41.13 ? 22 A 4 +ATOM 333 H HB . VAL A 1 22 ? -9.523 6.172 -16.937 1.0 23.42 ? 22 A 4 +ATOM 334 H HG11 . VAL A 1 22 ? -11.742 6.263 -15.758 1.0 3.13 ? 22 A 4 +ATOM 335 H HG12 . VAL A 1 22 ? -11.278 7.859 -15.164 1.0 11.12 ? 22 A 4 +ATOM 336 H HG13 . VAL A 1 22 ? -11.441 7.574 -16.898 1.0 2.3 ? 22 A 4 +ATOM 337 H HG21 . VAL A 1 22 ? -7.786 7.676 -16.387 1.0 43.3 ? 22 A 4 +ATOM 338 H HG22 . VAL A 1 22 ? -9.184 8.678 -16.781 1.0 71.52 ? 22 A 4 +ATOM 339 H HG23 . VAL A 1 22 ? -8.733 8.416 -15.096 1.0 24.41 ? 22 A 4 +ATOM 340 N N . ASP A 1 23 ? -6.908 5.715 -15.216 1.0 73.14 ? 23 A 4 +ATOM 341 C CA . ASP A 1 23 ? -5.498 5.95 -14.925 1.0 0.33 ? 23 A 4 +ATOM 342 C C . ASP A 1 23 ? -4.864 6.838 -15.99 1.0 62.12 ? 23 A 4 +ATOM 343 O O . ASP A 1 23 ? -5.309 6.863 -17.138 1.0 35.34 ? 23 A 4 +ATOM 344 C CB . ASP A 1 23 ? -4.746 4.621 -14.837 1.0 24.44 ? 23 A 4 +ATOM 345 C CG . ASP A 1 23 ? -5.61 3.502 -14.287 1.0 11.25 ? 23 A 4 +ATOM 346 O OD1 . ASP A 1 23 ? -6.152 3.664 -13.174 1.0 71.52 ? 23 A 4 +ATOM 347 O OD2 . ASP A 1 23 ? -5.742 2.465 -14.97 1.0 54.12 ? 23 A 4 +ATOM 348 H H . ASP A 1 23 ? -7.154 5.223 -16.027 1.0 71.31 ? 23 A 4 +ATOM 349 H HA . ASP A 1 23 ? -5.436 6.452 -13.971 1.0 62.03 ? 23 A 4 +ATOM 350 H HB2 . ASP A 1 23 ? -4.41 4.339 -15.824 1.0 75.32 ? 23 A 4 +ATOM 351 H HB3 . ASP A 1 23 ? -3.89 4.742 -14.19 1.0 32.1 ? 23 A 4 +ATOM 352 N N . HIS A 1 24 ? -3.822 7.567 -15.603 1.0 3.42 ? 24 A 4 +ATOM 353 C CA . HIS A 1 24 ? -3.127 8.457 -16.525 1.0 64.1 ? 24 A 4 +ATOM 354 C C . HIS A 1 24 ? -2.55 7.677 -17.702 1.0 13.22 ? 24 A 4 +ATOM 355 O O . HIS A 1 24 ? -2.192 8.257 -18.727 1.0 40.32 ? 24 A 4 +ATOM 356 C CB . HIS A 1 24 ? -2.009 9.207 -15.798 1.0 43.52 ? 24 A 4 +ATOM 357 C CG . HIS A 1 24 ? -1.103 8.313 -15.009 1.0 63.23 ? 24 A 4 +ATOM 358 N ND1 . HIS A 1 24 ? -0.088 7.575 -15.581 1.0 33.23 ? 24 A 4 +ATOM 359 C CD2 . HIS A 1 24 ? -1.063 8.041 -13.684 1.0 70.35 ? 24 A 4 +ATOM 360 C CE1 . HIS A 1 24 ? 0.536 6.887 -14.642 1.0 52.22 ? 24 A 4 +ATOM 361 N NE2 . HIS A 1 24 ? -0.035 7.152 -13.482 1.0 51.1 ? 24 A 4 +ATOM 362 H H . HIS A 1 24 ? -3.514 7.504 -14.675 1.0 35.01 ? 24 A 4 +ATOM 363 H HA . HIS A 1 24 ? -3.843 9.172 -16.899 1.0 52.33 ? 24 A 4 +ATOM 364 H HB2 . HIS A 1 24 ? -1.406 9.732 -16.524 1.0 74.33 ? 24 A 4 +ATOM 365 H HB3 . HIS A 1 24 ? -2.448 9.921 -15.117 1.0 2.24 ? 24 A 4 +ATOM 366 H HD1 . HIS A 1 24 ? 0.139 7.558 -16.534 1.0 61.24 ? 24 A 4 +ATOM 367 H HD2 . HIS A 1 24 ? -1.717 8.447 -12.925 1.0 14.35 ? 24 A 4 +ATOM 368 H HE1 . HIS A 1 24 ? 1.372 6.221 -14.797 1.0 73.24 ? 24 A 4 +ATOM 369 N N . ALA A 1 25 ? -2.462 6.36 -17.547 1.0 63.43 ? 25 A 4 +ATOM 370 C CA . ALA A 1 25 ? -1.931 5.501 -18.598 1.0 43.32 ? 25 A 4 +ATOM 371 C C . ALA A 1 25 ? -3.023 5.098 -19.583 1.0 33.54 ? 25 A 4 +ATOM 372 O O . ALA A 1 25 ? -2.8 4.269 -20.466 1.0 12.23 ? 25 A 4 +ATOM 373 C CB . ALA A 1 25 ? -1.282 4.266 -17.992 1.0 51.34 ? 25 A 4 +ATOM 374 H H . ALA A 1 25 ? -2.764 5.957 -16.707 1.0 55.41 ? 25 A 4 +ATOM 375 H HA . ALA A 1 25 ? -1.168 6.055 -19.128 1.0 23.12 ? 25 A 4 +ATOM 376 H HB1 . ALA A 1 25 ? -1.008 3.58 -18.78 1.0 42.21 ? 25 A 4 +ATOM 377 H HB2 . ALA A 1 25 ? -0.398 4.556 -17.443 1.0 3.14 ? 25 A 4 +ATOM 378 H HB3 . ALA A 1 25 ? -1.98 3.785 -17.323 1.0 44.44 ? 25 A 4 +ATOM 379 N N . ASP A 1 26 ? -4.202 5.689 -19.425 1.0 53.31 ? 26 A 4 +ATOM 380 C CA . ASP A 1 26 ? -5.329 5.391 -20.301 1.0 71.32 ? 26 A 4 +ATOM 381 C C . ASP A 1 26 ? -5.487 6.47 -21.369 1.0 31.24 ? 26 A 4 +ATOM 382 O O . ASP A 1 26 ? -4.614 7.321 -21.541 1.0 53.43 ? 26 A 4 +ATOM 383 C CB . ASP A 1 26 ? -6.618 5.27 -19.487 1.0 21.1 ? 26 A 4 +ATOM 384 C CG . ASP A 1 26 ? -6.574 4.118 -18.501 1.0 73.54 ? 26 A 4 +ATOM 385 O OD1 . ASP A 1 26 ? -5.57 4.004 -17.766 1.0 73.22 ? 26 A 4 +ATOM 386 O OD2 . ASP A 1 26 ? -7.543 3.332 -18.465 1.0 2.02 ? 26 A 4 +ATOM 387 H H . ASP A 1 26 ? -4.317 6.341 -18.703 1.0 73.33 ? 26 A 4 +ATOM 388 H HA . ASP A 1 26 ? -5.132 4.448 -20.788 1.0 35.3 ? 26 A 4 +ATOM 389 H HB2 . ASP A 1 26 ? -6.775 6.185 -18.935 1.0 71.15 ? 26 A 4 +ATOM 390 H HB3 . ASP A 1 26 ? -7.448 5.113 -20.159 1.0 51.4 ? 26 A 4 +ATOM 391 N N . THR A 1 27 ? -6.607 6.427 -22.084 1.0 11.22 ? 27 A 4 +ATOM 392 C CA . THR A 1 27 ? -6.879 7.399 -23.136 1.0 12.11 ? 27 A 4 +ATOM 393 C C . THR A 1 27 ? -8.37 7.698 -23.236 1.0 24.55 ? 27 A 4 +ATOM 394 O O . THR A 1 27 ? -9.2 6.948 -22.723 1.0 14.34 ? 27 A 4 +ATOM 395 C CB . THR A 1 27 ? -6.374 6.902 -24.504 1.0 24.42 ? 27 A 4 +ATOM 396 O OG1 . THR A 1 27 ? -6.34 5.47 -24.523 1.0 51.41 ? 27 A 4 +ATOM 397 C CG2 . THR A 1 27 ? -4.987 7.451 -24.801 1.0 72.22 ? 27 A 4 +ATOM 398 H H . THR A 1 27 ? -7.265 5.725 -21.899 1.0 1.33 ? 27 A 4 +ATOM 399 H HA . THR A 1 27 ? -6.354 8.311 -22.892 1.0 54.42 ? 27 A 4 +ATOM 400 H HB . THR A 1 27 ? -7.054 7.248 -25.269 1.0 51.23 ? 27 A 4 +ATOM 401 H HG1 . THR A 1 27 ? -5.595 5.161 -24.002 1.0 23.44 ? 27 A 4 +ATOM 402 H HG21 . THR A 1 27 ? -4.641 7.061 -25.746 1.0 20.21 ? 27 A 4 +ATOM 403 H HG22 . THR A 1 27 ? -4.306 7.154 -24.017 1.0 40.31 ? 27 A 4 +ATOM 404 H HG23 . THR A 1 27 ? -5.03 8.529 -24.851 1.0 53.14 ? 27 A 4 +ATOM 405 N N . VAL A 1 28 ? -8.705 8.8 -23.9 1.0 70.04 ? 28 A 4 +ATOM 406 C CA . VAL A 1 28 ? -10.098 9.198 -24.069 1.0 40.12 ? 28 A 4 +ATOM 407 C C . VAL A 1 28 ? -10.922 8.069 -24.678 1.0 43.3 ? 28 A 4 +ATOM 408 O O . VAL A 1 28 ? -11.996 7.733 -24.182 1.0 51.44 ? 28 A 4 +ATOM 409 C CB . VAL A 1 28 ? -10.22 10.448 -24.961 1.0 70.14 ? 28 A 4 +ATOM 410 C CG1 . VAL A 1 28 ? -11.641 10.99 -24.927 1.0 13.41 ? 28 A 4 +ATOM 411 C CG2 . VAL A 1 28 ? -9.223 11.512 -24.526 1.0 73.55 ? 28 A 4 +ATOM 412 H H . VAL A 1 28 ? -7.998 9.358 -24.287 1.0 50.23 ? 28 A 4 +ATOM 413 H HA . VAL A 1 28 ? -10.497 9.437 -23.094 1.0 62.42 ? 28 A 4 +ATOM 414 H HB . VAL A 1 28 ? -9.991 10.163 -25.977 1.0 52.41 ? 28 A 4 +ATOM 415 H HG11 . VAL A 1 28 ? -11.796 11.533 -24.006 1.0 72.32 ? 28 A 4 +ATOM 416 H HG12 . VAL A 1 28 ? -11.793 11.652 -25.767 1.0 75.12 ? 28 A 4 +ATOM 417 H HG13 . VAL A 1 28 ? -12.341 10.17 -24.983 1.0 43.12 ? 28 A 4 +ATOM 418 H HG21 . VAL A 1 28 ? -8.618 11.804 -25.371 1.0 22.23 ? 28 A 4 +ATOM 419 H HG22 . VAL A 1 28 ? -9.757 12.371 -24.15 1.0 21.24 ? 28 A 4 +ATOM 420 H HG23 . VAL A 1 28 ? -8.588 11.114 -23.748 1.0 51.43 ? 28 A 4 +ATOM 421 N N . GLY A 1 29 ? -10.41 7.486 -25.758 1.0 51.02 ? 29 A 4 +ATOM 422 C CA . GLY A 1 29 ? -11.111 6.401 -26.418 1.0 24.21 ? 29 A 4 +ATOM 423 C C . GLY A 1 29 ? -11.527 5.308 -25.453 1.0 62.32 ? 29 A 4 +ATOM 424 O O . GLY A 1 29 ? -12.684 4.887 -25.443 1.0 1.41 ? 29 A 4 +ATOM 425 H H . GLY A 1 29 ? -9.549 7.796 -26.11 1.0 25.44 ? 29 A 4 +ATOM 426 H HA2 . GLY A 1 29 ? -11.993 6.797 -26.9 1.0 33.14 ? 29 A 4 +ATOM 427 H HA3 . GLY A 1 29 ? -10.464 5.974 -27.17 1.0 61.11 ? 29 A 4 +ATOM 428 N N . ALA A 1 30 ? -10.582 4.847 -24.641 1.0 0.3 ? 30 A 4 +ATOM 429 C CA . ALA A 1 30 ? -10.857 3.797 -23.668 1.0 24.42 ? 30 A 4 +ATOM 430 C C . ALA A 1 30 ? -11.939 4.229 -22.684 1.0 23.15 ? 30 A 4 +ATOM 431 O O . ALA A 1 30 ? -12.821 3.446 -22.332 1.0 23.32 ? 30 A 4 +ATOM 432 C CB . ALA A 1 30 ? -9.584 3.421 -22.924 1.0 4.23 ? 30 A 4 +ATOM 433 H H . ALA A 1 30 ? -9.679 5.223 -24.696 1.0 13.0 ? 30 A 4 +ATOM 434 H HA . ALA A 1 30 ? -11.201 2.925 -24.206 1.0 42.35 ? 30 A 4 +ATOM 435 H HB1 . ALA A 1 30 ? -9.352 2.382 -23.111 1.0 24.3 ? 30 A 4 +ATOM 436 H HB2 . ALA A 1 30 ? -8.77 4.04 -23.269 1.0 15.25 ? 30 A 4 +ATOM 437 H HB3 . ALA A 1 30 ? -9.729 3.572 -21.865 1.0 54.13 ? 30 A 4 +ATOM 438 N N . VAL A 1 31 ? -11.865 5.481 -22.243 1.0 44.02 ? 31 A 4 +ATOM 439 C CA . VAL A 1 31 ? -12.838 6.018 -21.3 1.0 44.43 ? 31 A 4 +ATOM 440 C C . VAL A 1 31 ? -14.244 6.0 -21.89 1.0 22.33 ? 31 A 4 +ATOM 441 O O . VAL A 1 31 ? -15.209 5.644 -21.215 1.0 41.34 ? 31 A 4 +ATOM 442 C CB . VAL A 1 31 ? -12.485 7.459 -20.887 1.0 42.01 ? 31 A 4 +ATOM 443 C CG1 . VAL A 1 31 ? -13.566 8.038 -19.988 1.0 61.22 ? 31 A 4 +ATOM 444 C CG2 . VAL A 1 31 ? -11.129 7.498 -20.198 1.0 34.2 ? 31 A 4 +ATOM 445 H H . VAL A 1 31 ? -11.139 6.057 -22.56 1.0 33.11 ? 31 A 4 +ATOM 446 H HA . VAL A 1 31 ? -12.823 5.399 -20.415 1.0 53.53 ? 31 A 4 +ATOM 447 H HB . VAL A 1 31 ? -12.429 8.064 -21.78 1.0 34.14 ? 31 A 4 +ATOM 448 H HG11 . VAL A 1 31 ? -13.106 8.605 -19.192 1.0 24.43 ? 31 A 4 +ATOM 449 H HG12 . VAL A 1 31 ? -14.209 8.684 -20.567 1.0 62.24 ? 31 A 4 +ATOM 450 H HG13 . VAL A 1 31 ? -14.15 7.234 -19.564 1.0 4.44 ? 31 A 4 +ATOM 451 H HG21 . VAL A 1 31 ? -10.881 6.513 -19.834 1.0 32.4 ? 31 A 4 +ATOM 452 H HG22 . VAL A 1 31 ? -10.377 7.822 -20.903 1.0 31.51 ? 31 A 4 +ATOM 453 H HG23 . VAL A 1 31 ? -11.166 8.19 -19.369 1.0 2.41 ? 31 A 4 +ATOM 454 N N . LYS A 1 32 ? -14.352 6.387 -23.157 1.0 44.33 ? 32 A 4 +ATOM 455 C CA . LYS A 1 32 ? -15.639 6.415 -23.842 1.0 33.41 ? 32 A 4 +ATOM 456 C C . LYS A 1 32 ? -16.316 5.049 -23.783 1.0 33.52 ? 32 A 4 +ATOM 457 O O . LYS A 1 32 ? -17.521 4.953 -23.553 1.0 55.22 ? 32 A 4 +ATOM 458 C CB . LYS A 1 32 ? -15.455 6.842 -25.3 1.0 21.43 ? 32 A 4 +ATOM 459 C CG . LYS A 1 32 ? -16.161 8.141 -25.647 1.0 62.04 ? 32 A 4 +ATOM 460 C CD . LYS A 1 32 ? -15.201 9.319 -25.634 1.0 13.3 ? 32 A 4 +ATOM 461 C CE . LYS A 1 32 ? -14.724 9.664 -27.036 1.0 61.02 ? 32 A 4 +ATOM 462 N NZ . LYS A 1 32 ? -14.215 8.467 -27.759 1.0 10.13 ? 32 A 4 +ATOM 463 H H . LYS A 1 32 ? -13.545 6.66 -23.644 1.0 0.43 ? 32 A 4 +ATOM 464 H HA . LYS A 1 32 ? -16.266 7.136 -23.341 1.0 20.21 ? 32 A 4 +ATOM 465 H HB2 . LYS A 1 32 ? -14.4 6.967 -25.495 1.0 31.13 ? 32 A 4 +ATOM 466 H HB3 . LYS A 1 32 ? -15.842 6.064 -25.942 1.0 51.43 ? 32 A 4 +ATOM 467 H HG2 . LYS A 1 32 ? -16.593 8.053 -26.633 1.0 34.55 ? 32 A 4 +ATOM 468 H HG3 . LYS A 1 32 ? -16.945 8.318 -24.924 1.0 75.31 ? 32 A 4 +ATOM 469 H HD2 . LYS A 1 32 ? -15.704 10.178 -25.215 1.0 62.53 ? 32 A 4 +ATOM 470 H HD3 . LYS A 1 32 ? -14.345 9.067 -25.023 1.0 34.24 ? 32 A 4 +ATOM 471 H HE2 . LYS A 1 32 ? -15.549 10.085 -27.59 1.0 32.35 ? 32 A 4 +ATOM 472 H HE3 . LYS A 1 32 ? -13.931 10.394 -26.962 1.0 31.14 ? 32 A 4 +ATOM 473 H HZ1 . LYS A 1 32 ? -13.661 7.868 -27.114 1.0 3.34 ? 32 A 4 +ATOM 474 H HZ2 . LYS A 1 32 ? -13.606 8.76 -28.551 1.0 11.13 ? 32 A 4 +ATOM 475 H HZ3 . LYS A 1 32 ? -15.009 7.912 -28.135 1.0 13.55 ? 32 A 4 +ATOM 476 N N . ALA A 1 33 ? -15.533 3.996 -23.99 1.0 34.21 ? 33 A 4 +ATOM 477 C CA . ALA A 1 33 ? -16.056 2.636 -23.956 1.0 60.31 ? 33 A 4 +ATOM 478 C C . ALA A 1 33 ? -16.579 2.283 -22.568 1.0 31.03 ? 33 A 4 +ATOM 479 O O . ALA A 1 33 ? -17.616 1.634 -22.43 1.0 31.32 ? 33 A 4 +ATOM 480 C CB . ALA A 1 33 ? -14.984 1.647 -24.386 1.0 54.24 ? 33 A 4 +ATOM 481 H H . ALA A 1 33 ? -14.58 4.137 -24.168 1.0 43.1 ? 33 A 4 +ATOM 482 H HA . ALA A 1 33 ? -16.872 2.575 -24.663 1.0 53.01 ? 33 A 4 +ATOM 483 H HB1 . ALA A 1 33 ? -14.07 1.85 -23.847 1.0 2.33 ? 33 A 4 +ATOM 484 H HB2 . ALA A 1 33 ? -15.314 0.642 -24.17 1.0 61.23 ? 33 A 4 +ATOM 485 H HB3 . ALA A 1 33 ? -14.806 1.747 -25.447 1.0 53.23 ? 33 A 4 +ATOM 486 N N . LYS A 1 34 ? -15.854 2.714 -21.541 1.0 30.14 ? 34 A 4 +ATOM 487 C CA . LYS A 1 34 ? -16.243 2.444 -20.162 1.0 3.41 ? 34 A 4 +ATOM 488 C C . LYS A 1 34 ? -17.611 3.046 -19.856 1.0 51.04 ? 34 A 4 +ATOM 489 O O . LYS A 1 34 ? -18.462 2.398 -19.245 1.0 30.3 ? 34 A 4 +ATOM 490 C CB . LYS A 1 34 ? -15.199 3.007 -19.196 1.0 63.02 ? 34 A 4 +ATOM 491 C CG . LYS A 1 34 ? -15.478 2.679 -17.739 1.0 24.43 ? 34 A 4 +ATOM 492 C CD . LYS A 1 34 ? -15.405 1.183 -17.481 1.0 44.42 ? 34 A 4 +ATOM 493 C CE . LYS A 1 34 ? -14.015 0.635 -17.763 1.0 34.12 ? 34 A 4 +ATOM 494 N NZ . LYS A 1 34 ? -13.881 -0.785 -17.337 1.0 13.0 ? 34 A 4 +ATOM 495 H H . LYS A 1 34 ? -15.037 3.227 -21.715 1.0 65.25 ? 34 A 4 +ATOM 496 H HA . LYS A 1 34 ? -16.298 1.374 -20.036 1.0 3.22 ? 34 A 4 +ATOM 497 H HB2 . LYS A 1 34 ? -14.231 2.603 -19.455 1.0 71.03 ? 34 A 4 +ATOM 498 H HB3 . LYS A 1 34 ? -15.17 4.082 -19.302 1.0 71.12 ? 34 A 4 +ATOM 499 H HG2 . LYS A 1 34 ? -14.746 3.176 -17.121 1.0 24.23 ? 34 A 4 +ATOM 500 H HG3 . LYS A 1 34 ? -16.467 3.032 -17.484 1.0 22.21 ? 34 A 4 +ATOM 501 H HD2 . LYS A 1 34 ? -15.652 0.992 -16.447 1.0 63.43 ? 34 A 4 +ATOM 502 H HD3 . LYS A 1 34 ? -16.117 0.681 -18.121 1.0 75.33 ? 34 A 4 +ATOM 503 H HE2 . LYS A 1 34 ? -13.823 0.704 -18.822 1.0 34.14 ? 34 A 4 +ATOM 504 H HE3 . LYS A 1 34 ? -13.292 1.233 -17.227 1.0 0.12 ? 34 A 4 +ATOM 505 H HZ1 . LYS A 1 34 ? -14.136 -0.884 -16.334 1.0 62.42 ? 34 A 4 +ATOM 506 H HZ2 . LYS A 1 34 ? -12.9 -1.106 -17.468 1.0 14.2 ? 34 A 4 +ATOM 507 H HZ3 . LYS A 1 34 ? -14.51 -1.389 -17.905 1.0 65.2 ? 34 A 4 +ATOM 508 N N . ILE A 1 35 ? -17.816 4.287 -20.284 1.0 14.42 ? 35 A 4 +ATOM 509 C CA . ILE A 1 35 ? -19.081 4.974 -20.057 1.0 22.32 ? 35 A 4 +ATOM 510 C C . ILE A 1 35 ? -20.213 4.314 -20.838 1.0 74.31 ? 35 A 4 +ATOM 511 O O . ILE A 1 35 ? -21.347 4.238 -20.364 1.0 33.23 ? 35 A 4 +ATOM 512 C CB . ILE A 1 35 ? -18.995 6.459 -20.456 1.0 42.5 ? 35 A 4 +ATOM 513 C CG1 . ILE A 1 35 ? -17.817 7.132 -19.749 1.0 22.04 ? 35 A 4 +ATOM 514 C CG2 . ILE A 1 35 ? -20.297 7.173 -20.125 1.0 45.14 ? 35 A 4 +ATOM 515 C CD1 . ILE A 1 35 ? -17.859 6.996 -18.243 1.0 11.1 ? 35 A 4 +ATOM 516 H H . ILE A 1 35 ? -17.099 4.751 -20.765 1.0 54.44 ? 35 A 4 +ATOM 517 H HA . ILE A 1 35 ? -19.306 4.918 -19.002 1.0 30.01 ? 35 A 4 +ATOM 518 H HB . ILE A 1 35 ? -18.844 6.514 -21.523 1.0 2.44 ? 35 A 4 +ATOM 519 H HG12 . ILE A 1 35 ? -16.897 6.69 -20.095 1.0 3.24 ? 35 A 4 +ATOM 520 H HG13 . ILE A 1 35 ? -17.819 8.186 -19.988 1.0 0.11 ? 35 A 4 +ATOM 521 H HG21 . ILE A 1 35 ? -21.127 6.616 -20.535 1.0 65.32 ? 35 A 4 +ATOM 522 H HG22 . ILE A 1 35 ? -20.406 7.243 -19.053 1.0 43.1 ? 35 A 4 +ATOM 523 H HG23 . ILE A 1 35 ? -20.283 8.164 -20.552 1.0 75.41 ? 35 A 4 +ATOM 524 H HD11 . ILE A 1 35 ? -17.033 6.382 -17.914 1.0 43.52 ? 35 A 4 +ATOM 525 H HD12 . ILE A 1 35 ? -17.783 7.974 -17.79 1.0 71.15 ? 35 A 4 +ATOM 526 H HD13 . ILE A 1 35 ? -18.789 6.534 -17.948 1.0 74.3 ? 35 A 4 +ATOM 527 N N . TYR A 1 36 ? -19.897 3.836 -22.036 1.0 62.53 ? 36 A 4 +ATOM 528 C CA . TYR A 1 36 ? -20.887 3.182 -22.884 1.0 64.44 ? 36 A 4 +ATOM 529 C C . TYR A 1 36 ? -21.531 2.004 -22.16 1.0 53.42 ? 36 A 4 +ATOM 530 O O . TYR A 1 36 ? -22.75 1.836 -22.187 1.0 34.33 ? 36 A 4 +ATOM 531 C CB . TYR A 1 36 ? -20.239 2.704 -24.185 1.0 74.42 ? 36 A 4 +ATOM 532 C CG . TYR A 1 36 ? -20.606 1.285 -24.557 1.0 43.51 ? 36 A 4 +ATOM 533 C CD1 . TYR A 1 36 ? -21.879 0.974 -25.019 1.0 62.31 ? 36 A 4 +ATOM 534 C CD2 . TYR A 1 36 ? -19.68 0.255 -24.447 1.0 22.21 ? 36 A 4 +ATOM 535 C CE1 . TYR A 1 36 ? -22.219 -0.321 -25.36 1.0 25.24 ? 36 A 4 +ATOM 536 C CE2 . TYR A 1 36 ? -20.01 -1.042 -24.787 1.0 24.41 ? 36 A 4 +ATOM 537 C CZ . TYR A 1 36 ? -21.281 -1.325 -25.243 1.0 51.0 ? 36 A 4 +ATOM 538 O OH . TYR A 1 36 ? -21.614 -2.617 -25.581 1.0 31.41 ? 36 A 4 +ATOM 539 H H . TYR A 1 36 ? -18.976 3.926 -22.36 1.0 42.53 ? 36 A 4 +ATOM 540 H HA . TYR A 1 36 ? -21.652 3.907 -23.12 1.0 45.34 ? 36 A 4 +ATOM 541 H HB2 . TYR A 1 36 ? -20.55 3.349 -24.992 1.0 32.41 ? 36 A 4 +ATOM 542 H HB3 . TYR A 1 36 ? -19.165 2.754 -24.083 1.0 73.31 ? 36 A 4 +ATOM 543 H HD1 . TYR A 1 36 ? -22.612 1.763 -25.11 1.0 14.41 ? 36 A 4 +ATOM 544 H HD2 . TYR A 1 36 ? -18.685 0.481 -24.089 1.0 73.43 ? 36 A 4 +ATOM 545 H HE1 . TYR A 1 36 ? -23.213 -0.543 -25.717 1.0 30.0 ? 36 A 4 +ATOM 546 H HE2 . TYR A 1 36 ? -19.276 -1.829 -24.694 1.0 11.1 ? 36 A 4 +ATOM 547 H HH . TYR A 1 36 ? -20.841 -3.066 -25.93 1.0 20.21 ? 36 A 4 +ATOM 548 N N . ASP A 1 37 ? -20.703 1.192 -21.513 1.0 31.31 ? 37 A 4 +ATOM 549 C CA . ASP A 1 37 ? -21.19 0.029 -20.779 1.0 4.3 ? 37 A 4 +ATOM 550 C C . ASP A 1 37 ? -21.845 0.45 -19.467 1.0 30.32 ? 37 A 4 +ATOM 551 O O . ASP A 1 37 ? -22.77 -0.203 -18.984 1.0 62.0 ? 37 A 4 +ATOM 552 C CB . ASP A 1 37 ? -20.043 -0.943 -20.502 1.0 35.43 ? 37 A 4 +ATOM 553 C CG . ASP A 1 37 ? -20.524 -2.369 -20.32 1.0 34.32 ? 37 A 4 +ATOM 554 O OD1 . ASP A 1 37 ? -21.733 -2.561 -20.071 1.0 31.12 ? 37 A 4 +ATOM 555 O OD2 . ASP A 1 37 ? -19.691 -3.294 -20.427 1.0 3.2 ? 37 A 4 +ATOM 556 H H . ASP A 1 37 ? -19.741 1.379 -21.528 1.0 51.42 ? 37 A 4 +ATOM 557 H HA . ASP A 1 37 ? -21.928 -0.465 -21.393 1.0 32.24 ? 37 A 4 +ATOM 558 H HB2 . ASP A 1 37 ? -19.351 -0.92 -21.331 1.0 43.14 ? 37 A 4 +ATOM 559 H HB3 . ASP A 1 37 ? -19.53 -0.637 -19.602 1.0 34.23 ? 37 A 4 +ATOM 560 N N . LYS A 1 38 ? -21.358 1.546 -18.893 1.0 33.03 ? 38 A 4 +ATOM 561 C CA . LYS A 1 38 ? -21.895 2.055 -17.637 1.0 33.5 ? 38 A 4 +ATOM 562 C C . LYS A 1 38 ? -23.404 2.258 -17.733 1.0 62.1 ? 38 A 4 +ATOM 563 O O . LYS A 1 38 ? -24.15 1.863 -16.837 1.0 13.24 ? 38 A 4 +ATOM 564 C CB . LYS A 1 38 ? -21.215 3.375 -17.266 1.0 32.13 ? 38 A 4 +ATOM 565 C CG . LYS A 1 38 ? -20.384 3.295 -15.997 1.0 11.13 ? 38 A 4 +ATOM 566 C CD . LYS A 1 38 ? -18.926 2.995 -16.304 1.0 55.11 ? 38 A 4 +ATOM 567 C CE . LYS A 1 38 ? -18.678 1.499 -16.426 1.0 12.13 ? 38 A 4 +ATOM 568 N NZ . LYS A 1 38 ? -18.087 0.932 -15.182 1.0 62.42 ? 38 A 4 +ATOM 569 H H . LYS A 1 38 ? -20.62 2.024 -19.327 1.0 40.1 ? 38 A 4 +ATOM 570 H HA . LYS A 1 38 ? -21.69 1.325 -16.869 1.0 13.43 ? 38 A 4 +ATOM 571 H HB2 . LYS A 1 38 ? -20.568 3.673 -18.078 1.0 53.44 ? 38 A 4 +ATOM 572 H HB3 . LYS A 1 38 ? -21.975 4.13 -17.126 1.0 74.35 ? 38 A 4 +ATOM 573 H HG2 . LYS A 1 38 ? -20.444 4.24 -15.478 1.0 72.35 ? 38 A 4 +ATOM 574 H HG3 . LYS A 1 38 ? -20.778 2.51 -15.368 1.0 65.33 ? 38 A 4 +ATOM 575 H HD2 . LYS A 1 38 ? -18.658 3.47 -17.236 1.0 31.44 ? 38 A 4 +ATOM 576 H HD3 . LYS A 1 38 ? -18.311 3.39 -15.508 1.0 51.13 ? 38 A 4 +ATOM 577 H HE2 . LYS A 1 38 ? -19.617 1.007 -16.625 1.0 72.24 ? 38 A 4 +ATOM 578 H HE3 . LYS A 1 38 ? -18.0 1.326 -17.248 1.0 52.14 ? 38 A 4 +ATOM 579 H HZ1 . LYS A 1 38 ? -17.541 0.075 -15.404 1.0 12.21 ? 38 A 4 +ATOM 580 H HZ2 . LYS A 1 38 ? -18.841 0.686 -14.509 1.0 31.3 ? 38 A 4 +ATOM 581 H HZ3 . LYS A 1 38 ? -17.455 1.628 -14.737 1.0 72.13 ? 38 A 4 +ATOM 582 N N . GLU A 1 39 ? -23.846 2.874 -18.825 1.0 74.33 ? 39 A 4 +ATOM 583 C CA . GLU A 1 39 ? -25.266 3.128 -19.036 1.0 31.43 ? 39 A 4 +ATOM 584 C C . GLU A 1 39 ? -25.788 2.335 -20.231 1.0 55.55 ? 39 A 4 +ATOM 585 O O . GLU A 1 39 ? -26.766 1.597 -20.121 1.0 44.25 ? 39 A 4 +ATOM 586 C CB . GLU A 1 39 ? -25.513 4.622 -19.253 1.0 31.12 ? 39 A 4 +ATOM 587 C CG . GLU A 1 39 ? -24.469 5.29 -20.132 1.0 22.34 ? 39 A 4 +ATOM 588 C CD . GLU A 1 39 ? -24.592 6.801 -20.138 1.0 34.02 ? 39 A 4 +ATOM 589 O OE1 . GLU A 1 39 ? -25.691 7.308 -19.825 1.0 60.52 ? 39 A 4 +ATOM 590 O OE2 . GLU A 1 39 ? -23.592 7.478 -20.455 1.0 24.54 ? 39 A 4 +ATOM 591 H H . GLU A 1 39 ? -23.202 3.165 -19.503 1.0 53.12 ? 39 A 4 +ATOM 592 H HA . GLU A 1 39 ? -25.795 2.81 -18.15 1.0 24.23 ? 39 A 4 +ATOM 593 H HB2 . GLU A 1 39 ? -26.48 4.751 -19.717 1.0 13.32 ? 39 A 4 +ATOM 594 H HB3 . GLU A 1 39 ? -25.516 5.117 -18.293 1.0 53.15 ? 39 A 4 +ATOM 595 H HG2 . GLU A 1 39 ? -23.488 5.026 -19.767 1.0 73.51 ? 39 A 4 +ATOM 596 H HG3 . GLU A 1 39 ? -24.584 4.93 -21.143 1.0 55.55 ? 39 A 4 +ATOM 597 N N . GLY A 1 40 ? -25.128 2.496 -21.374 1.0 41.31 ? 40 A 4 +ATOM 598 C CA . GLY A 1 40 ? -25.54 1.791 -22.574 1.0 23.2 ? 40 A 4 +ATOM 599 C C . GLY A 1 40 ? -25.79 2.727 -23.74 1.0 54.31 ? 40 A 4 +ATOM 600 O O . GLY A 1 40 ? -26.825 2.641 -24.402 1.0 62.35 ? 40 A 4 +ATOM 601 H H . GLY A 1 40 ? -24.356 3.098 -21.403 1.0 1.31 ? 40 A 4 +ATOM 602 H HA2 . GLY A 1 40 ? -24.768 1.088 -22.849 1.0 42.33 ? 40 A 4 +ATOM 603 H HA3 . GLY A 1 40 ? -26.449 1.246 -22.363 1.0 42.25 ? 40 A 4 +ATOM 604 N N . ILE A 1 41 ? -24.842 3.623 -23.99 1.0 11.45 ? 41 A 4 +ATOM 605 C CA . ILE A 1 41 ? -24.966 4.58 -25.083 1.0 13.21 ? 41 A 4 +ATOM 606 C C . ILE A 1 41 ? -23.827 4.419 -26.085 1.0 73.14 ? 41 A 4 +ATOM 607 O O . ILE A 1 41 ? -22.744 3.932 -25.759 1.0 54.03 ? 41 A 4 +ATOM 608 C CB . ILE A 1 41 ? -24.978 6.03 -24.565 1.0 13.54 ? 41 A 4 +ATOM 609 C CG1 . ILE A 1 41 ? -23.849 6.242 -23.553 1.0 35.25 ? 41 A 4 +ATOM 610 C CG2 . ILE A 1 41 ? -26.325 6.357 -23.939 1.0 15.54 ? 41 A 4 +ATOM 611 C CD1 . ILE A 1 41 ? -23.048 7.501 -23.798 1.0 51.21 ? 41 A 4 +ATOM 612 H H . ILE A 1 41 ? -24.041 3.642 -23.427 1.0 10.31 ? 41 A 4 +ATOM 613 H HA . ILE A 1 41 ? -25.903 4.391 -25.587 1.0 22.4 ? 41 A 4 +ATOM 614 H HB . ILE A 1 41 ? -24.827 6.69 -25.405 1.0 2.22 ? 41 A 4 +ATOM 615 H HG12 . ILE A 1 41 ? -24.269 6.304 -22.562 1.0 53.25 ? 41 A 4 +ATOM 616 H HG13 . ILE A 1 41 ? -23.171 5.402 -23.6 1.0 73.21 ? 41 A 4 +ATOM 617 H HG21 . ILE A 1 41 ? -26.313 7.372 -23.569 1.0 41.34 ? 41 A 4 +ATOM 618 H HG22 . ILE A 1 41 ? -27.101 6.256 -24.683 1.0 35.01 ? 41 A 4 +ATOM 619 H HG23 . ILE A 1 41 ? -26.518 5.678 -23.123 1.0 24.24 ? 41 A 4 +ATOM 620 H HD11 . ILE A 1 41 ? -23.372 8.272 -23.114 1.0 13.35 ? 41 A 4 +ATOM 621 H HD12 . ILE A 1 41 ? -21.999 7.298 -23.638 1.0 5.02 ? 41 A 4 +ATOM 622 H HD13 . ILE A 1 41 ? -23.2 7.834 -24.813 1.0 73.01 ? 41 A 4 +ATOM 623 N N . PRO A 1 42 ? -24.074 4.84 -27.334 1.0 42.01 ? 42 A 4 +ATOM 624 C CA . PRO A 1 42 ? -23.081 4.756 -28.409 1.0 63.34 ? 42 A 4 +ATOM 625 C C . PRO A 1 42 ? -21.923 5.727 -28.206 1.0 4.23 ? 42 A 4 +ATOM 626 O O . PRO A 1 42 ? -22.096 6.946 -28.209 1.0 21.54 ? 42 A 4 +ATOM 627 C CB . PRO A 1 42 ? -23.88 5.13 -29.66 1.0 63.45 ? 42 A 4 +ATOM 628 C CG . PRO A 1 42 ? -25.002 5.969 -29.156 1.0 31.23 ? 42 A 4 +ATOM 629 C CD . PRO A 1 42 ? -25.342 5.431 -27.794 1.0 52.22 ? 42 A 4 +ATOM 630 H HA . PRO A 1 42 ? -22.694 3.753 -28.514 1.0 60.32 ? 42 A 4 +ATOM 631 H HB2 . PRO A 1 42 ? -23.248 5.682 -30.342 1.0 50.23 ? 42 A 4 +ATOM 632 H HB3 . PRO A 1 42 ? -24.242 4.234 -30.142 1.0 64.01 ? 42 A 4 +ATOM 633 H HG2 . PRO A 1 42 ? -24.688 6.999 -29.085 1.0 0.11 ? 42 A 4 +ATOM 634 H HG3 . PRO A 1 42 ? -25.852 5.88 -29.817 1.0 1.1 ? 42 A 4 +ATOM 635 H HD2 . PRO A 1 42 ? -25.654 6.232 -27.139 1.0 11.32 ? 42 A 4 +ATOM 636 H HD3 . PRO A 1 42 ? -26.114 4.679 -27.867 1.0 34.03 ? 42 A 4 +ATOM 637 N N . PRO A 1 43 ? -20.713 5.177 -28.026 1.0 1.41 ? 43 A 4 +ATOM 638 C CA . PRO A 1 43 ? -19.503 5.978 -27.819 1.0 62.53 ? 43 A 4 +ATOM 639 C C . PRO A 1 43 ? -19.083 6.729 -29.078 1.0 21.35 ? 43 A 4 +ATOM 640 O O . PRO A 1 43 ? -18.474 7.797 -29.001 1.0 73.42 ? 43 A 4 +ATOM 641 C CB . PRO A 1 43 ? -18.448 4.935 -27.442 1.0 74.43 ? 43 A 4 +ATOM 642 C CG . PRO A 1 43 ? -18.931 3.667 -28.057 1.0 42.11 ? 43 A 4 +ATOM 643 C CD . PRO A 1 43 ? -20.433 3.732 -28.011 1.0 32.53 ? 43 A 4 +ATOM 644 H HA . PRO A 1 43 ? -19.625 6.68 -27.007 1.0 3.1 ? 43 A 4 +ATOM 645 H HB2 . PRO A 1 43 ? -17.488 5.229 -27.843 1.0 1.2 ? 43 A 4 +ATOM 646 H HB3 . PRO A 1 43 ? -18.385 4.854 -26.367 1.0 52.2 ? 43 A 4 +ATOM 647 H HG2 . PRO A 1 43 ? -18.59 3.601 -29.078 1.0 21.5 ? 43 A 4 +ATOM 648 H HG3 . PRO A 1 43 ? -18.576 2.823 -27.484 1.0 41.32 ? 43 A 4 +ATOM 649 H HD2 . PRO A 1 43 ? -20.858 3.248 -28.878 1.0 55.24 ? 43 A 4 +ATOM 650 H HD3 . PRO A 1 43 ? -20.803 3.278 -27.104 1.0 31.14 ? 43 A 4 +ATOM 651 N N . ASP A 1 44 ? -19.411 6.166 -30.235 1.0 54.12 ? 44 A 4 +ATOM 652 C CA . ASP A 1 44 ? -19.069 6.783 -31.511 1.0 51.34 ? 44 A 4 +ATOM 653 C C . ASP A 1 44 ? -20.02 7.932 -31.831 1.0 65.34 ? 44 A 4 +ATOM 654 O O . ASP A 1 44 ? -19.737 8.762 -32.695 1.0 41.23 ? 44 A 4 +ATOM 655 C CB . ASP A 1 44 ? -19.109 5.744 -32.632 1.0 23.35 ? 44 A 4 +ATOM 656 C CG . ASP A 1 44 ? -18.421 6.226 -33.894 1.0 52.14 ? 44 A 4 +ATOM 657 O OD1 . ASP A 1 44 ? -17.204 6.498 -33.839 1.0 70.43 ? 44 A 4 +ATOM 658 O OD2 . ASP A 1 44 ? -19.1 6.333 -34.937 1.0 15.14 ? 44 A 4 +ATOM 659 H H . ASP A 1 44 ? -19.896 5.314 -30.231 1.0 64.31 ? 44 A 4 +ATOM 660 H HA . ASP A 1 44 ? -18.066 7.175 -31.432 1.0 72.42 ? 44 A 4 +ATOM 661 H HB2 . ASP A 1 44 ? -18.616 4.843 -32.298 1.0 64.21 ? 44 A 4 +ATOM 662 H HB3 . ASP A 1 44 ? -20.139 5.519 -32.869 1.0 74.33 ? 44 A 4 +ATOM 663 N N . GLN A 1 45 ? -21.149 7.972 -31.13 1.0 24.51 ? 45 A 4 +ATOM 664 C CA . GLN A 1 45 ? -22.142 9.018 -31.341 1.0 55.1 ? 45 A 4 +ATOM 665 C C . GLN A 1 45 ? -22.03 10.1 -30.272 1.0 65.33 ? 45 A 4 +ATOM 666 O O . GLN A 1 45 ? -22.618 11.174 -30.399 1.0 0.12 ? 45 A 4 +ATOM 667 C CB . GLN A 1 45 ? -23.551 8.422 -31.334 1.0 3.33 ? 45 A 4 +ATOM 668 C CG . GLN A 1 45 ? -23.995 7.895 -32.689 1.0 71.05 ? 45 A 4 +ATOM 669 C CD . GLN A 1 45 ? -24.896 6.68 -32.576 1.0 50.21 ? 45 A 4 +ATOM 670 O OE1 . GLN A 1 45 ? -25.997 6.759 -32.03 1.0 30.33 ? 45 A 4 +ATOM 671 N NE2 . GLN A 1 45 ? -24.432 5.549 -33.093 1.0 54.11 ? 45 A 4 +ATOM 672 H H . GLN A 1 45 ? -21.317 7.282 -30.456 1.0 33.14 ? 45 A 4 +ATOM 673 H HA . GLN A 1 45 ? -21.955 9.463 -32.307 1.0 54.13 ? 45 A 4 +ATOM 674 H HB2 . GLN A 1 45 ? -23.58 7.607 -30.627 1.0 72.22 ? 45 A 4 +ATOM 675 H HB3 . GLN A 1 45 ? -24.25 9.184 -31.023 1.0 51.24 ? 45 A 4 +ATOM 676 H HG2 . GLN A 1 45 ? -24.533 8.675 -33.207 1.0 11.31 ? 45 A 4 +ATOM 677 H HG3 . GLN A 1 45 ? -23.119 7.623 -33.26 1.0 33.23 ? 45 A 4 +ATOM 678 H HE21 . GLN A 1 45 ? -23.545 5.561 -33.512 1.0 35.4 ? 45 A 4 +ATOM 679 H HE22 . GLN A 1 45 ? -24.993 4.748 -33.033 1.0 53.4 ? 45 A 4 +ATOM 680 N N . GLN A 1 46 ? -21.272 9.808 -29.22 1.0 5.34 ? 46 A 4 +ATOM 681 C CA . GLN A 1 46 ? -21.084 10.757 -28.128 1.0 54.21 ? 46 A 4 +ATOM 682 C C . GLN A 1 46 ? -19.697 11.387 -28.188 1.0 23.33 ? 46 A 4 +ATOM 683 O O . GLN A 1 46 ? -18.749 10.781 -28.688 1.0 42.0 ? 46 A 4 +ATOM 684 C CB . GLN A 1 46 ? -21.284 10.061 -26.781 1.0 54.1 ? 46 A 4 +ATOM 685 C CG . GLN A 1 46 ? -20.185 9.067 -26.44 1.0 63.33 ? 46 A 4 +ATOM 686 C CD . GLN A 1 46 ? -19.279 9.557 -25.328 1.0 73.34 ? 46 A 4 +ATOM 687 O OE1 . GLN A 1 46 ? -18.297 10.258 -25.575 1.0 62.34 ? 46 A 4 +ATOM 688 N NE2 . GLN A 1 46 ? -19.604 9.189 -24.094 1.0 52.51 ? 46 A 4 +ATOM 689 H H . GLN A 1 46 ? -20.829 8.936 -29.177 1.0 61.13 ? 46 A 4 +ATOM 690 H HA . GLN A 1 46 ? -21.824 11.535 -28.235 1.0 1.54 ? 46 A 4 +ATOM 691 H HB2 . GLN A 1 46 ? -21.315 10.81 -26.004 1.0 70.34 ? 46 A 4 +ATOM 692 H HB3 . GLN A 1 46 ? -22.225 9.532 -26.798 1.0 24.41 ? 46 A 4 +ATOM 693 H HG2 . GLN A 1 46 ? -20.641 8.139 -26.129 1.0 71.34 ? 46 A 4 +ATOM 694 H HG3 . GLN A 1 46 ? -19.587 8.895 -27.323 1.0 12.44 ? 46 A 4 +ATOM 695 H HE21 . GLN A 1 46 ? -20.399 8.629 -23.973 1.0 61.21 ? 46 A 4 +ATOM 696 H HE22 . GLN A 1 46 ? -19.035 9.491 -23.356 1.0 54.41 ? 46 A 4 +ATOM 697 N N . ARG A 1 47 ? -19.584 12.608 -27.675 1.0 11.31 ? 47 A 4 +ATOM 698 C CA . ARG A 1 47 ? -18.313 13.321 -27.671 1.0 74.42 ? 47 A 4 +ATOM 699 C C . ARG A 1 47 ? -18.119 14.081 -26.362 1.0 0.05 ? 47 A 4 +ATOM 700 O O . ARG A 1 47 ? -19.084 14.379 -25.656 1.0 62.43 ? 47 A 4 +ATOM 701 C CB . ARG A 1 47 ? -18.245 14.292 -28.851 1.0 53.24 ? 47 A 4 +ATOM 702 C CG . ARG A 1 47 ? -18.208 13.603 -30.205 1.0 25.13 ? 47 A 4 +ATOM 703 C CD . ARG A 1 47 ? -16.788 13.233 -30.604 1.0 74.31 ? 47 A 4 +ATOM 704 N NE . ARG A 1 47 ? -16.318 14.014 -31.744 1.0 72.02 ? 47 A 4 +ATOM 705 C CZ . ARG A 1 47 ? -15.255 13.687 -32.471 1.0 4.33 ? 47 A 4 +ATOM 706 N NH1 . ARG A 1 47 ? -14.556 12.6 -32.178 1.0 22.33 ? 47 A 4 +ATOM 707 N NH2 . ARG A 1 47 ? -14.89 14.449 -33.495 1.0 24.44 ? 47 A 4 +ATOM 708 H H . ARG A 1 47 ? -20.376 13.04 -27.29 1.0 14.32 ? 47 A 4 +ATOM 709 H HA . ARG A 1 47 ? -17.523 12.592 -27.77 1.0 52.1 ? 47 A 4 +ATOM 710 H HB2 . ARG A 1 47 ? -19.112 14.936 -28.823 1.0 12.43 ? 47 A 4 +ATOM 711 H HB3 . ARG A 1 47 ? -17.355 14.896 -28.754 1.0 31.22 ? 47 A 4 +ATOM 712 H HG2 . ARG A 1 47 ? -18.803 12.703 -30.157 1.0 2.15 ? 47 A 4 +ATOM 713 H HG3 . ARG A 1 47 ? -18.62 14.269 -30.949 1.0 3.22 ? 47 A 4 +ATOM 714 H HD2 . ARG A 1 47 ? -16.134 13.412 -29.763 1.0 62.34 ? 47 A 4 +ATOM 715 H HD3 . ARG A 1 47 ? -16.763 12.185 -30.862 1.0 4.32 ? 47 A 4 +ATOM 716 H HE . ARG A 1 47 ? -16.82 14.822 -31.979 1.0 51.12 ? 47 A 4 +ATOM 717 H HH11 . ARG A 1 47 ? -14.83 12.023 -31.408 1.0 35.02 ? 47 A 4 +ATOM 718 H HH12 . ARG A 1 47 ? -13.757 12.355 -32.728 1.0 42.25 ? 47 A 4 +ATOM 719 H HH21 . ARG A 1 47 ? -15.415 15.27 -33.719 1.0 32.54 ? 47 A 4 +ATOM 720 H HH22 . ARG A 1 47 ? -14.091 14.203 -34.041 1.0 51.04 ? 47 A 4 +ATOM 721 N N . LEU A 1 48 ? -16.868 14.391 -26.043 1.0 13.42 ? 48 A 4 +ATOM 722 C CA . LEU A 1 48 ? -16.547 15.115 -24.818 1.0 63.04 ? 48 A 4 +ATOM 723 C C . LEU A 1 48 ? -16.193 16.568 -25.122 1.0 70.54 ? 48 A 4 +ATOM 724 O O . LEU A 1 48 ? -15.644 16.875 -26.18 1.0 13.22 ? 48 A 4 +ATOM 725 C CB . LEU A 1 48 ? -15.385 14.437 -24.09 1.0 73.22 ? 48 A 4 +ATOM 726 C CG . LEU A 1 48 ? -15.312 12.915 -24.215 1.0 23.01 ? 48 A 4 +ATOM 727 C CD1 . LEU A 1 48 ? -16.7 12.303 -24.105 1.0 2.23 ? 48 A 4 +ATOM 728 C CD2 . LEU A 1 48 ? -14.655 12.519 -25.53 1.0 62.5 ? 48 A 4 +ATOM 729 H H . LEU A 1 48 ? -16.141 14.127 -26.645 1.0 13.1 ? 48 A 4 +ATOM 730 H HA . LEU A 1 48 ? -17.42 15.095 -24.183 1.0 5.14 ? 48 A 4 +ATOM 731 H HB2 . LEU A 1 48 ? -14.466 14.845 -24.482 1.0 14.35 ? 48 A 4 +ATOM 732 H HB3 . LEU A 1 48 ? -15.467 14.68 -23.04 1.0 62.22 ? 48 A 4 +ATOM 733 H HG . LEU A 1 48 ? -14.71 12.522 -23.408 1.0 74.12 ? 48 A 4 +ATOM 734 H HD11 . LEU A 1 48 ? -17.107 12.153 -25.094 1.0 72.12 ? 48 A 4 +ATOM 735 H HD12 . LEU A 1 48 ? -17.343 12.968 -23.548 1.0 51.52 ? 48 A 4 +ATOM 736 H HD13 . LEU A 1 48 ? -16.635 11.353 -23.594 1.0 50.13 ? 48 A 4 +ATOM 737 H HD21 . LEU A 1 48 ? -14.084 11.613 -25.388 1.0 32.51 ? 48 A 4 +ATOM 738 H HD22 . LEU A 1 48 ? -13.998 13.311 -25.856 1.0 4.35 ? 48 A 4 +ATOM 739 H HD23 . LEU A 1 48 ? -15.417 12.352 -26.277 1.0 44.23 ? 48 A 4 +ATOM 740 N N . ILE A 1 49 ? -16.509 17.456 -24.186 1.0 13.31 ? 49 A 4 +ATOM 741 C CA . ILE A 1 49 ? -16.222 18.876 -24.352 1.0 13.25 ? 49 A 4 +ATOM 742 C C . ILE A 1 49 ? -15.733 19.494 -23.047 1.0 73.24 ? 49 A 4 +ATOM 743 O O . ILE A 1 49 ? -16.38 19.369 -22.007 1.0 20.41 ? 49 A 4 +ATOM 744 C CB . ILE A 1 49 ? -17.461 19.648 -24.84 1.0 42.12 ? 49 A 4 +ATOM 745 C CG1 . ILE A 1 49 ? -17.645 19.461 -26.348 1.0 21.4 ? 49 A 4 +ATOM 746 C CG2 . ILE A 1 49 ? -17.335 21.124 -24.496 1.0 44.11 ? 49 A 4 +ATOM 747 C CD1 . ILE A 1 49 ? -18.961 18.816 -26.721 1.0 30.32 ? 49 A 4 +ATOM 748 H H . ILE A 1 49 ? -16.946 17.15 -23.364 1.0 11.12 ? 49 A 4 +ATOM 749 H HA . ILE A 1 49 ? -15.445 18.973 -25.097 1.0 31.54 ? 49 A 4 +ATOM 750 H HB . ILE A 1 49 ? -18.327 19.256 -24.328 1.0 10.22 ? 49 A 4 +ATOM 751 H HG12 . ILE A 1 49 ? -17.599 20.423 -26.832 1.0 52.53 ? 49 A 4 +ATOM 752 H HG13 . ILE A 1 49 ? -16.849 18.834 -26.724 1.0 23.14 ? 49 A 4 +ATOM 753 H HG21 . ILE A 1 49 ? -16.297 21.417 -24.543 1.0 54.41 ? 49 A 4 +ATOM 754 H HG22 . ILE A 1 49 ? -17.905 21.708 -25.203 1.0 2.4 ? 49 A 4 +ATOM 755 H HG23 . ILE A 1 49 ? -17.713 21.295 -23.499 1.0 53.42 ? 49 A 4 +ATOM 756 H HD11 . ILE A 1 49 ? -19.666 19.58 -27.016 1.0 43.14 ? 49 A 4 +ATOM 757 H HD12 . ILE A 1 49 ? -18.808 18.133 -27.543 1.0 61.33 ? 49 A 4 +ATOM 758 H HD13 . ILE A 1 49 ? -19.352 18.276 -25.871 1.0 3.14 ? 49 A 4 +ATOM 759 N N . PHE A 1 50 ? -14.586 20.164 -23.109 1.0 0.44 ? 50 A 4 +ATOM 760 C CA . PHE A 1 50 ? -14.01 20.803 -21.931 1.0 63.4 ? 50 A 4 +ATOM 761 C C . PHE A 1 50 ? -13.897 22.311 -22.133 1.0 34.31 ? 50 A 4 +ATOM 762 O O . PHE A 1 50 ? -13.071 22.784 -22.912 1.0 24.03 ? 50 A 4 +ATOM 763 C CB . PHE A 1 50 ? -12.632 20.213 -21.627 1.0 1.31 ? 50 A 4 +ATOM 764 C CG . PHE A 1 50 ? -11.931 20.886 -20.482 1.0 63.44 ? 50 A 4 +ATOM 765 C CD1 . PHE A 1 50 ? -12.125 20.45 -19.181 1.0 63.22 ? 50 A 4 +ATOM 766 C CD2 . PHE A 1 50 ? -11.077 21.954 -20.706 1.0 31.12 ? 50 A 4 +ATOM 767 C CE1 . PHE A 1 50 ? -11.482 21.068 -18.126 1.0 44.05 ? 50 A 4 +ATOM 768 C CE2 . PHE A 1 50 ? -10.431 22.576 -19.655 1.0 53.14 ? 50 A 4 +ATOM 769 C CZ . PHE A 1 50 ? -10.633 22.132 -18.363 1.0 64.24 ? 50 A 4 +ATOM 770 H H . PHE A 1 50 ? -14.116 20.229 -23.966 1.0 32.43 ? 50 A 4 +ATOM 771 H HA . PHE A 1 50 ? -14.667 20.612 -21.097 1.0 55.42 ? 50 A 4 +ATOM 772 H HB2 . PHE A 1 50 ? -12.742 19.168 -21.38 1.0 72.21 ? 50 A 4 +ATOM 773 H HB3 . PHE A 1 50 ? -12.007 20.307 -22.502 1.0 52.42 ? 50 A 4 +ATOM 774 H HD1 . PHE A 1 50 ? -12.788 19.618 -18.994 1.0 64.41 ? 50 A 4 +ATOM 775 H HD2 . PHE A 1 50 ? -10.918 22.302 -21.717 1.0 25.0 ? 50 A 4 +ATOM 776 H HE1 . PHE A 1 50 ? -11.642 20.719 -17.116 1.0 33.34 ? 50 A 4 +ATOM 777 H HE2 . PHE A 1 50 ? -9.768 23.407 -19.844 1.0 34.14 ? 50 A 4 +ATOM 778 H HZ . PHE A 1 50 ? -10.13 22.616 -17.54 1.0 42.2 ? 50 A 4 +ATOM 779 N N . GLY A 1 51 ? -14.735 23.062 -21.423 1.0 53.44 ? 51 A 4 +ATOM 780 C CA . GLY A 1 51 ? -14.713 24.509 -21.538 1.0 33.5 ? 51 A 4 +ATOM 781 C C . GLY A 1 51 ? -15.317 24.996 -22.84 1.0 34.32 ? 51 A 4 +ATOM 782 O O . GLY A 1 51 ? -15.428 26.199 -23.07 1.0 0.02 ? 51 A 4 +ATOM 783 H H . GLY A 1 51 ? -15.372 22.63 -20.817 1.0 14.34 ? 51 A 4 +ATOM 784 H HA2 . GLY A 1 51 ? -15.269 24.932 -20.715 1.0 71.3 ? 51 A 4 +ATOM 785 H HA3 . GLY A 1 51 ? -13.689 24.848 -21.481 1.0 2.33 ? 51 A 4 +ATOM 786 N N . GLY A 1 52 ? -15.708 24.057 -23.698 1.0 51.33 ? 52 A 4 +ATOM 787 C CA . GLY A 1 52 ? -16.298 24.417 -24.974 1.0 70.11 ? 52 A 4 +ATOM 788 C C . GLY A 1 52 ? -15.65 23.692 -26.137 1.0 64.35 ? 52 A 4 +ATOM 789 O O . GLY A 1 52 ? -16.268 23.508 -27.186 1.0 21.12 ? 52 A 4 +ATOM 790 H H . GLY A 1 52 ? -15.596 23.113 -23.461 1.0 52.33 ? 52 A 4 +ATOM 791 H HA2 . GLY A 1 52 ? -17.35 24.176 -24.953 1.0 34.31 ? 52 A 4 +ATOM 792 H HA3 . GLY A 1 52 ? -16.186 25.481 -25.122 1.0 33.12 ? 52 A 4 +ATOM 793 N N . LYS A 1 53 ? -14.401 23.279 -25.953 1.0 4.12 ? 53 A 4 +ATOM 794 C CA . LYS A 1 53 ? -13.667 22.57 -26.994 1.0 20.15 ? 53 A 4 +ATOM 795 C C . LYS A 1 53 ? -13.81 21.06 -26.828 1.0 12.34 ? 53 A 4 +ATOM 796 O O . LYS A 1 53 ? -13.89 20.556 -25.709 1.0 53.3 ? 53 A 4 +ATOM 797 C CB . LYS A 1 53 ? -12.188 22.96 -26.961 1.0 12.13 ? 53 A 4 +ATOM 798 C CG . LYS A 1 53 ? -11.511 22.667 -25.634 1.0 34.42 ? 53 A 4 +ATOM 799 C CD . LYS A 1 53 ? -10.866 21.292 -25.629 1.0 44.0 ? 53 A 4 +ATOM 800 C CE . LYS A 1 53 ? -9.75 21.196 -26.658 1.0 75.53 ? 53 A 4 +ATOM 801 N NZ . LYS A 1 53 ? -8.517 20.588 -26.084 1.0 61.53 ? 53 A 4 +ATOM 802 H H . LYS A 1 53 ? -13.961 23.455 -25.094 1.0 32.12 ? 53 A 4 +ATOM 803 H HA . LYS A 1 53 ? -14.085 22.856 -27.948 1.0 74.23 ? 53 A 4 +ATOM 804 H HB2 . LYS A 1 53 ? -11.667 22.416 -27.735 1.0 34.02 ? 53 A 4 +ATOM 805 H HB3 . LYS A 1 53 ? -12.103 24.019 -27.159 1.0 32.22 ? 53 A 4 +ATOM 806 H HG2 . LYS A 1 53 ? -10.749 23.411 -25.456 1.0 24.24 ? 53 A 4 +ATOM 807 H HG3 . LYS A 1 53 ? -12.25 22.711 -24.846 1.0 53.0 ? 53 A 4 +ATOM 808 H HD2 . LYS A 1 53 ? -10.454 21.1 -24.649 1.0 22.42 ? 53 A 4 +ATOM 809 H HD3 . LYS A 1 53 ? -11.618 20.549 -25.856 1.0 0.05 ? 53 A 4 +ATOM 810 H HE2 . LYS A 1 53 ? -10.089 20.589 -27.483 1.0 25.2 ? 53 A 4 +ATOM 811 H HE3 . LYS A 1 53 ? -9.519 22.189 -27.013 1.0 75.24 ? 53 A 4 +ATOM 812 H HZ1 . LYS A 1 53 ? -8.493 20.733 -25.055 1.0 1.33 ? 53 A 4 +ATOM 813 H HZ2 . LYS A 1 53 ? -7.673 21.027 -26.505 1.0 14.14 ? 53 A 4 +ATOM 814 H HZ3 . LYS A 1 53 ? -8.497 19.567 -26.281 1.0 31.25 ? 53 A 4 +ATOM 815 N N . GLN A 1 54 ? -13.839 20.346 -27.949 1.0 32.1 ? 54 A 4 +ATOM 816 C CA . GLN A 1 54 ? -13.971 18.894 -27.925 1.0 3.14 ? 54 A 4 +ATOM 817 C C . GLN A 1 54 ? -12.681 18.238 -27.442 1.0 14.5 ? 54 A 4 +ATOM 818 O O . GLN A 1 54 ? -11.621 18.865 -27.427 1.0 22.04 ? 54 A 4 +ATOM 819 C CB . GLN A 1 54 ? -14.332 18.371 -29.317 1.0 14.03 ? 54 A 4 +ATOM 820 C CG . GLN A 1 54 ? -15.818 18.111 -29.502 1.0 52.41 ? 54 A 4 +ATOM 821 C CD . GLN A 1 54 ? -16.553 19.307 -30.075 1.0 44.23 ? 54 A 4 +ATOM 822 O OE1 . GLN A 1 54 ? -16.332 20.444 -29.658 1.0 25.33 ? 54 A 4 +ATOM 823 N NE2 . GLN A 1 54 ? -17.434 19.056 -31.036 1.0 63.1 ? 54 A 4 +ATOM 824 H H . GLN A 1 54 ? -13.771 20.806 -28.811 1.0 52.11 ? 54 A 4 +ATOM 825 H HA . GLN A 1 54 ? -14.766 18.645 -27.239 1.0 62.04 ? 54 A 4 +ATOM 826 H HB2 . GLN A 1 54 ? -14.021 19.097 -30.053 1.0 31.24 ? 54 A 4 +ATOM 827 H HB3 . GLN A 1 54 ? -13.803 17.446 -29.489 1.0 25.42 ? 54 A 4 +ATOM 828 H HG2 . GLN A 1 54 ? -15.944 17.276 -30.174 1.0 52.11 ? 54 A 4 +ATOM 829 H HG3 . GLN A 1 54 ? -16.25 17.868 -28.542 1.0 53.52 ? 54 A 4 +ATOM 830 H HE21 . GLN A 1 54 ? -17.56 18.125 -31.316 1.0 45.55 ? 54 A 4 +ATOM 831 H HE22 . GLN A 1 54 ? -17.924 19.81 -31.423 1.0 62.42 ? 54 A 4 +ATOM 832 N N . LEU A 1 55 ? -12.779 16.974 -27.047 1.0 51.34 ? 55 A 4 +ATOM 833 C CA . LEU A 1 55 ? -11.62 16.232 -26.562 1.0 40.45 ? 55 A 4 +ATOM 834 C C . LEU A 1 55 ? -11.259 15.1 -27.519 1.0 63.5 ? 55 A 4 +ATOM 835 O O . LEU A 1 55 ? -12.096 14.259 -27.843 1.0 52.11 ? 55 A 4 +ATOM 836 C CB . LEU A 1 55 ? -11.897 15.668 -25.168 1.0 25.03 ? 55 A 4 +ATOM 837 C CG . LEU A 1 55 ? -12.366 16.676 -24.117 1.0 41.33 ? 55 A 4 +ATOM 838 C CD1 . LEU A 1 55 ? -12.451 16.019 -22.748 1.0 33.24 ? 55 A 4 +ATOM 839 C CD2 . LEU A 1 55 ? -11.434 17.878 -24.077 1.0 52.23 ? 55 A 4 +ATOM 840 H H . LEU A 1 55 ? -13.65 16.527 -27.082 1.0 12.34 ? 55 A 4 +ATOM 841 H HA . LEU A 1 55 ? -10.788 16.918 -26.505 1.0 22.21 ? 55 A 4 +ATOM 842 H HB2 . LEU A 1 55 ? -12.66 14.911 -25.263 1.0 55.1 ? 55 A 4 +ATOM 843 H HB3 . LEU A 1 55 ? -10.985 15.214 -24.808 1.0 51.11 ? 55 A 4 +ATOM 844 H HG . LEU A 1 55 ? -13.355 17.027 -24.381 1.0 72.12 ? 55 A 4 +ATOM 845 H HD11 . LEU A 1 55 ? -11.695 15.253 -22.669 1.0 32.04 ? 55 A 4 +ATOM 846 H HD12 . LEU A 1 55 ? -13.428 15.575 -22.622 1.0 44.35 ? 55 A 4 +ATOM 847 H HD13 . LEU A 1 55 ? -12.293 16.763 -21.982 1.0 32.21 ? 55 A 4 +ATOM 848 H HD21 . LEU A 1 55 ? -11.918 18.724 -24.541 1.0 33.14 ? 55 A 4 +ATOM 849 H HD22 . LEU A 1 55 ? -10.525 17.645 -24.612 1.0 72.01 ? 55 A 4 +ATOM 850 H HD23 . LEU A 1 55 ? -11.197 18.115 -23.05 1.0 74.33 ? 55 A 4 +ATOM 851 N N . GLU A 1 56 ? -10.007 15.085 -27.965 1.0 12.02 ? 56 A 4 +ATOM 852 C CA . GLU A 1 56 ? -9.536 14.055 -28.883 1.0 31.33 ? 56 A 4 +ATOM 853 C C . GLU A 1 56 ? -9.518 12.688 -28.204 1.0 62.51 ? 56 A 4 +ATOM 854 O O . GLU A 1 56 ? -9.964 12.543 -27.066 1.0 51.02 ? 56 A 4 +ATOM 855 C CB . GLU A 1 56 ? -8.136 14.399 -29.396 1.0 62.01 ? 56 A 4 +ATOM 856 C CG . GLU A 1 56 ? -8.036 14.439 -30.912 1.0 21.02 ? 56 A 4 +ATOM 857 C CD . GLU A 1 56 ? -8.877 15.542 -31.523 1.0 1.0 ? 56 A 4 +ATOM 858 O OE1 . GLU A 1 56 ? -9.288 16.457 -30.778 1.0 61.34 ? 56 A 4 +ATOM 859 O OE2 . GLU A 1 56 ? -9.125 15.492 -32.746 1.0 22.01 ? 56 A 4 +ATOM 860 H H . GLU A 1 56 ? -9.386 15.784 -27.67 1.0 72.43 ? 56 A 4 +ATOM 861 H HA . GLU A 1 56 ? -10.217 14.019 -29.719 1.0 4.21 ? 56 A 4 +ATOM 862 H HB2 . GLU A 1 56 ? -7.853 15.368 -29.011 1.0 41.11 ? 56 A 4 +ATOM 863 H HB3 . GLU A 1 56 ? -7.44 13.659 -29.03 1.0 51.02 ? 56 A 4 +ATOM 864 H HG2 . GLU A 1 56 ? -7.005 14.599 -31.188 1.0 71.31 ? 56 A 4 +ATOM 865 H HG3 . GLU A 1 56 ? -8.37 13.491 -31.307 1.0 60.44 ? 56 A 4 +ATOM 866 N N . ASP A 1 57 ? -9.002 11.69 -28.912 1.0 71.03 ? 57 A 4 +ATOM 867 C CA . ASP A 1 57 ? -8.926 10.334 -28.379 1.0 63.41 ? 57 A 4 +ATOM 868 C C . ASP A 1 57 ? -7.828 10.225 -27.326 1.0 21.4 ? 57 A 4 +ATOM 869 O O . ASP A 1 57 ? -7.9 9.391 -26.424 1.0 43.31 ? 57 A 4 +ATOM 870 C CB . ASP A 1 57 ? -8.67 9.334 -29.507 1.0 45.31 ? 57 A 4 +ATOM 871 C CG . ASP A 1 57 ? -9.776 9.334 -30.544 1.0 55.43 ? 57 A 4 +ATOM 872 O OD1 . ASP A 1 57 ? -10.958 9.239 -30.151 1.0 72.35 ? 57 A 4 +ATOM 873 O OD2 . ASP A 1 57 ? -9.46 9.43 -31.748 1.0 15.11 ? 57 A 4 +ATOM 874 H H . ASP A 1 57 ? -8.663 11.868 -29.814 1.0 23.12 ? 57 A 4 +ATOM 875 H HA . ASP A 1 57 ? -9.874 10.106 -27.916 1.0 62.14 ? 57 A 4 +ATOM 876 H HB2 . ASP A 1 57 ? -7.741 9.585 -29.999 1.0 24.44 ? 57 A 4 +ATOM 877 H HB3 . ASP A 1 57 ? -8.593 8.341 -29.088 1.0 64.03 ? 57 A 4 +ATOM 878 N N . SER A 1 58 ? -6.811 11.073 -27.449 1.0 32.51 ? 58 A 4 +ATOM 879 C CA . SER A 1 58 ? -5.695 11.068 -26.511 1.0 62.24 ? 58 A 4 +ATOM 880 C C . SER A 1 58 ? -5.707 12.325 -25.646 1.0 2.12 ? 58 A 4 +ATOM 881 O O . SER A 1 58 ? -4.804 12.546 -24.841 1.0 12.21 ? 58 A 4 +ATOM 882 C CB . SER A 1 58 ? -4.367 10.967 -27.265 1.0 65.11 ? 58 A 4 +ATOM 883 O OG . SER A 1 58 ? -3.281 10.818 -26.368 1.0 34.21 ? 58 A 4 +ATOM 884 H H . SER A 1 58 ? -6.811 11.714 -28.19 1.0 21.03 ? 58 A 4 +ATOM 885 H HA . SER A 1 58 ? -5.802 10.205 -25.872 1.0 33.55 ? 58 A 4 +ATOM 886 H HB2 . SER A 1 58 ? -4.395 10.112 -27.924 1.0 31.42 ? 58 A 4 +ATOM 887 H HB3 . SER A 1 58 ? -4.218 11.865 -27.847 1.0 40.4 ? 58 A 4 +ATOM 888 H HG . SER A 1 58 ? -3.516 10.189 -25.682 1.0 10.23 ? 58 A 4 +ATOM 889 N N . ASN A 1 59 ? -6.738 13.146 -25.82 1.0 35.41 ? 59 A 4 +ATOM 890 C CA . ASN A 1 59 ? -6.868 14.381 -25.057 1.0 52.34 ? 59 A 4 +ATOM 891 C C . ASN A 1 59 ? -7.548 14.123 -23.716 1.0 4.01 ? 59 A 4 +ATOM 892 O O . ASN A 1 59 ? -8.748 14.349 -23.562 1.0 42.21 ? 59 A 4 +ATOM 893 C CB . ASN A 1 59 ? -7.665 15.416 -25.854 1.0 21.1 ? 59 A 4 +ATOM 894 C CG . ASN A 1 59 ? -7.339 16.839 -25.443 1.0 14.54 ? 59 A 4 +ATOM 895 O OD1 . ASN A 1 59 ? -6.786 17.611 -26.226 1.0 24.42 ? 59 A 4 +ATOM 896 N ND2 . ASN A 1 59 ? -7.682 17.191 -24.21 1.0 14.44 ? 59 A 4 +ATOM 897 H H . ASN A 1 59 ? -7.427 12.915 -26.478 1.0 5.51 ? 59 A 4 +ATOM 898 H HA . ASN A 1 59 ? -5.876 14.766 -24.877 1.0 74.51 ? 59 A 4 +ATOM 899 H HB2 . ASN A 1 59 ? -7.439 15.304 -26.905 1.0 43.43 ? 59 A 4 +ATOM 900 H HB3 . ASN A 1 59 ? -8.72 15.248 -25.698 1.0 11.21 ? 59 A 4 +ATOM 901 H HD21 . ASN A 1 59 ? -8.119 16.523 -23.641 1.0 21.33 ? 59 A 4 +ATOM 902 H HD22 . ASN A 1 59 ? -7.483 18.106 -23.918 1.0 12.0 ? 59 A 4 +ATOM 903 N N . ALA A 1 60 ? -6.771 13.648 -22.747 1.0 13.11 ? 60 A 4 +ATOM 904 C CA . ALA A 1 60 ? -7.297 13.361 -21.418 1.0 35.51 ? 60 A 4 +ATOM 905 C C . ALA A 1 60 ? -6.182 12.949 -20.464 1.0 74.01 ? 60 A 4 +ATOM 906 O O . ALA A 1 60 ? -5.681 13.764 -19.69 1.0 74.24 ? 60 A 4 +ATOM 907 C CB . ALA A 1 60 ? -8.359 12.274 -21.494 1.0 64.13 ? 60 A 4 +ATOM 908 H H . ALA A 1 60 ? -5.822 13.488 -22.931 1.0 31.12 ? 60 A 4 +ATOM 909 H HA . ALA A 1 60 ? -7.764 14.26 -21.043 1.0 20.01 ? 60 A 4 +ATOM 910 H HB1 . ALA A 1 60 ? -9.179 12.615 -22.109 1.0 72.33 ? 60 A 4 +ATOM 911 H HB2 . ALA A 1 60 ? -7.93 11.382 -21.926 1.0 25.02 ? 60 A 4 +ATOM 912 H HB3 . ALA A 1 60 ? -8.721 12.055 -20.501 1.0 51.02 ? 60 A 4 +ATOM 913 N N . MET A 1 61 ? -5.798 11.678 -20.524 1.0 21.52 ? 61 A 4 +ATOM 914 C CA . MET A 1 61 ? -4.74 11.158 -19.665 1.0 32.03 ? 61 A 4 +ATOM 915 C C . MET A 1 61 ? -3.378 11.691 -20.095 1.0 55.14 ? 61 A 4 +ATOM 916 O O . MET A 1 61 ? -2.695 12.369 -19.327 1.0 73.23 ? 61 A 4 +ATOM 917 C CB . MET A 1 61 ? -4.735 9.628 -19.695 1.0 33.12 ? 61 A 4 +ATOM 918 C CG . MET A 1 61 ? -6.126 9.015 -19.686 1.0 10.31 ? 61 A 4 +ATOM 919 S SD . MET A 1 61 ? -7.191 9.729 -18.418 1.0 3.45 ? 61 A 4 +ATOM 920 C CE . MET A 1 61 ? -8.774 9.71 -19.256 1.0 11.34 ? 61 A 4 +ATOM 921 H H . MET A 1 61 ? -6.235 11.075 -21.162 1.0 44.35 ? 61 A 4 +ATOM 922 H HA . MET A 1 61 ? -4.941 11.488 -18.657 1.0 14.21 ? 61 A 4 +ATOM 923 H HB2 . MET A 1 61 ? -4.226 9.3 -20.589 1.0 14.23 ? 61 A 4 +ATOM 924 H HB3 . MET A 1 61 ? -4.199 9.264 -18.831 1.0 0.24 ? 61 A 4 +ATOM 925 H HG2 . MET A 1 61 ? -6.583 9.176 -20.651 1.0 62.14 ? 61 A 4 +ATOM 926 H HG3 . MET A 1 61 ? -6.035 7.954 -19.506 1.0 32.0 ? 61 A 4 +ATOM 927 H HE1 . MET A 1 61 ? -9.248 10.675 -19.149 1.0 54.23 ? 61 A 4 +ATOM 928 H HE2 . MET A 1 61 ? -8.624 9.496 -20.304 1.0 64.31 ? 61 A 4 +ATOM 929 H HE3 . MET A 1 61 ? -9.403 8.949 -18.819 1.0 24.11 ? 61 A 4 +ATOM 930 N N . SER A 1 62 ? -2.988 11.381 -21.328 1.0 73.15 ? 62 A 4 +ATOM 931 C CA . SER A 1 62 ? -1.705 11.826 -21.859 1.0 12.22 ? 62 A 4 +ATOM 932 C C . SER A 1 62 ? -1.6 13.348 -21.821 1.0 13.52 ? 62 A 4 +ATOM 933 O O . SER A 1 62 ? -0.521 13.902 -21.612 1.0 42.51 ? 62 A 4 +ATOM 934 C CB . SER A 1 62 ? -1.522 11.327 -23.293 1.0 62.33 ? 62 A 4 +ATOM 935 O OG . SER A 1 62 ? -0.896 12.31 -24.099 1.0 14.13 ? 62 A 4 +ATOM 936 H H . SER A 1 62 ? -3.577 10.838 -21.892 1.0 74.25 ? 62 A 4 +ATOM 937 H HA . SER A 1 62 ? -0.927 11.408 -21.239 1.0 74.15 ? 62 A 4 +ATOM 938 H HB2 . SER A 1 62 ? -0.908 10.439 -23.287 1.0 54.41 ? 62 A 4 +ATOM 939 H HB3 . SER A 1 62 ? -2.489 11.094 -23.716 1.0 23.45 ? 62 A 4 +ATOM 940 H HG . SER A 1 62 ? -1.533 12.989 -24.33 1.0 1.23 ? 62 A 4 +ATOM 941 N N . ASP A 1 63 ? -2.729 14.018 -22.024 1.0 34.33 ? 63 A 4 +ATOM 942 C CA . ASP A 1 63 ? -2.766 15.476 -22.012 1.0 10.21 ? 63 A 4 +ATOM 943 C C . ASP A 1 63 ? -2.285 16.021 -20.671 1.0 63.54 ? 63 A 4 +ATOM 944 O O . ASP A 1 63 ? -1.845 17.167 -20.577 1.0 31.33 ? 63 A 4 +ATOM 945 C CB . ASP A 1 63 ? -4.184 15.974 -22.3 1.0 21.1 ? 63 A 4 +ATOM 946 C CG . ASP A 1 63 ? -4.204 17.406 -22.795 1.0 12.2 ? 63 A 4 +ATOM 947 O OD1 . ASP A 1 63 ? -3.887 17.628 -23.982 1.0 53.24 ? 63 A 4 +ATOM 948 O OD2 . ASP A 1 63 ? -4.538 18.306 -21.995 1.0 3.13 ? 63 A 4 +ATOM 949 H H . ASP A 1 63 ? -3.558 13.52 -22.185 1.0 14.4 ? 63 A 4 +ATOM 950 H HA . ASP A 1 63 ? -2.106 15.83 -22.789 1.0 72.42 ? 63 A 4 +ATOM 951 H HB2 . ASP A 1 63 ? -4.633 15.345 -23.055 1.0 63.34 ? 63 A 4 +ATOM 952 H HB3 . ASP A 1 63 ? -4.769 15.916 -21.394 1.0 44.51 ? 63 A 4 +ATOM 953 N N . TYR A 1 64 ? -2.372 15.192 -19.636 1.0 43.15 ? 64 A 4 +ATOM 954 C CA . TYR A 1 64 ? -1.949 15.592 -18.3 1.0 74.44 ? 64 A 4 +ATOM 955 C C . TYR A 1 64 ? -2.97 16.53 -17.662 1.0 35.31 ? 64 A 4 +ATOM 956 O O . TYR A 1 64 ? -2.61 17.541 -17.061 1.0 63.11 ? 64 A 4 +ATOM 957 C CB . TYR A 1 64 ? -0.581 16.274 -18.358 1.0 41.31 ? 64 A 4 +ATOM 958 C CG . TYR A 1 64 ? 0.408 15.572 -19.261 1.0 35.31 ? 64 A 4 +ATOM 959 C CD1 . TYR A 1 64 ? 0.833 14.278 -18.986 1.0 10.21 ? 64 A 4 +ATOM 960 C CD2 . TYR A 1 64 ? 0.917 16.203 -20.39 1.0 61.0 ? 64 A 4 +ATOM 961 C CE1 . TYR A 1 64 ? 1.737 13.634 -19.808 1.0 31.32 ? 64 A 4 +ATOM 962 C CE2 . TYR A 1 64 ? 1.82 15.565 -21.218 1.0 3.01 ? 64 A 4 +ATOM 963 C CZ . TYR A 1 64 ? 2.227 14.281 -20.923 1.0 35.43 ? 64 A 4 +ATOM 964 O OH . TYR A 1 64 ? 3.126 13.641 -21.745 1.0 23.32 ? 64 A 4 +ATOM 965 H H . TYR A 1 64 ? -2.731 14.291 -19.774 1.0 10.22 ? 64 A 4 +ATOM 966 H HA . TYR A 1 64 ? -1.87 14.7 -17.696 1.0 40.51 ? 64 A 4 +ATOM 967 H HB2 . TYR A 1 64 ? -0.704 17.283 -18.722 1.0 75.32 ? 64 A 4 +ATOM 968 H HB3 . TYR A 1 64 ? -0.159 16.305 -17.364 1.0 32.34 ? 64 A 4 +ATOM 969 H HD1 . TYR A 1 64 ? 0.446 13.774 -18.112 1.0 1.35 ? 64 A 4 +ATOM 970 H HD2 . TYR A 1 64 ? 0.596 17.209 -20.618 1.0 32.41 ? 64 A 4 +ATOM 971 H HE1 . TYR A 1 64 ? 2.055 12.628 -19.577 1.0 52.21 ? 64 A 4 +ATOM 972 H HE2 . TYR A 1 64 ? 2.204 16.072 -22.091 1.0 43.14 ? 64 A 4 +ATOM 973 H HH . TYR A 1 64 ? 2.695 12.899 -22.175 1.0 23.33 ? 64 A 4 +ATOM 974 N N . ASN A 1 65 ? -4.246 16.184 -17.799 1.0 61.21 ? 65 A 4 +ATOM 975 C CA . ASN A 1 65 ? -5.321 16.994 -17.237 1.0 70.22 ? 65 A 4 +ATOM 976 C C . ASN A 1 65 ? -6.33 16.12 -16.497 1.0 21.44 ? 65 A 4 +ATOM 977 O O . ASN A 1 65 ? -7.447 16.55 -16.21 1.0 22.24 ? 65 A 4 +ATOM 978 C CB . ASN A 1 65 ? -6.026 17.782 -18.343 1.0 30.31 ? 65 A 4 +ATOM 979 C CG . ASN A 1 65 ? -6.896 18.896 -17.794 1.0 75.23 ? 65 A 4 +ATOM 980 O OD1 . ASN A 1 65 ? -6.487 19.633 -16.896 1.0 74.2 ? 65 A 4 +ATOM 981 N ND2 . ASN A 1 65 ? -8.103 19.025 -18.333 1.0 12.4 ? 65 A 4 +ATOM 982 H H . ASN A 1 65 ? -4.47 15.366 -18.29 1.0 72.01 ? 65 A 4 +ATOM 983 H HA . ASN A 1 65 ? -4.882 17.688 -16.536 1.0 43.44 ? 65 A 4 +ATOM 984 H HB2 . ASN A 1 65 ? -5.283 18.219 -18.994 1.0 12.24 ? 65 A 4 +ATOM 985 H HB3 . ASN A 1 65 ? -6.65 17.111 -18.914 1.0 73.02 ? 65 A 4 +ATOM 986 H HD21 . ASN A 1 65 ? -8.361 18.402 -19.045 1.0 23.44 ? 65 A 4 +ATOM 987 H HD22 . ASN A 1 65 ? -8.685 19.738 -17.998 1.0 32.24 ? 65 A 4 +ATOM 988 N N . VAL A 1 66 ? -5.928 14.891 -16.191 1.0 11.4 ? 66 A 4 +ATOM 989 C CA . VAL A 1 66 ? -6.795 13.957 -15.483 1.0 70.45 ? 66 A 4 +ATOM 990 C C . VAL A 1 66 ? -6.627 14.086 -13.973 1.0 73.11 ? 66 A 4 +ATOM 991 O O . VAL A 1 66 ? -5.513 14.008 -13.455 1.0 33.12 ? 66 A 4 +ATOM 992 C CB . VAL A 1 66 ? -6.509 12.501 -15.897 1.0 40.11 ? 66 A 4 +ATOM 993 C CG1 . VAL A 1 66 ? -5.108 12.09 -15.471 1.0 32.21 ? 66 A 4 +ATOM 994 C CG2 . VAL A 1 66 ? -7.552 11.565 -15.307 1.0 25.13 ? 66 A 4 +ATOM 995 H H . VAL A 1 66 ? -5.026 14.606 -16.446 1.0 25.31 ? 66 A 4 +ATOM 996 H HA . VAL A 1 66 ? -7.818 14.189 -15.743 1.0 44.24 ? 66 A 4 +ATOM 997 H HB . VAL A 1 66 ? -6.567 12.437 -16.974 1.0 65.05 ? 66 A 4 +ATOM 998 H HG11 . VAL A 1 66 ? -5.167 11.496 -14.57 1.0 62.5 ? 66 A 4 +ATOM 999 H HG12 . VAL A 1 66 ? -4.648 11.509 -16.257 1.0 4.5 ? 66 A 4 +ATOM 1000 H HG13 . VAL A 1 66 ? -4.516 12.973 -15.281 1.0 12.32 ? 66 A 4 +ATOM 1001 H HG21 . VAL A 1 66 ? -7.319 10.547 -15.581 1.0 23.4 ? 66 A 4 +ATOM 1002 H HG22 . VAL A 1 66 ? -7.55 11.658 -14.231 1.0 64.2 ? 66 A 4 +ATOM 1003 H HG23 . VAL A 1 66 ? -8.529 11.826 -15.688 1.0 74.31 ? 66 A 4 +ATOM 1004 N N . GLN A 1 67 ? -7.739 14.285 -13.274 1.0 5.43 ? 67 A 4 +ATOM 1005 C CA . GLN A 1 67 ? -7.714 14.425 -11.823 1.0 15.5 ? 67 A 4 +ATOM 1006 C C . GLN A 1 67 ? -8.608 13.383 -11.16 1.0 62.54 ? 67 A 4 +ATOM 1007 O O . GLN A 1 67 ? -9.201 12.539 -11.832 1.0 44.01 ? 67 A 4 +ATOM 1008 C CB . GLN A 1 67 ? -8.162 15.831 -11.418 1.0 35.11 ? 67 A 4 +ATOM 1009 C CG . GLN A 1 67 ? -9.602 16.142 -11.793 1.0 11.21 ? 67 A 4 +ATOM 1010 C CD . GLN A 1 67 ? -10.257 17.117 -10.835 1.0 34.44 ? 67 A 4 +ATOM 1011 O OE1 . GLN A 1 67 ? -10.421 16.826 -9.65 1.0 41.54 ? 67 A 4 +ATOM 1012 N NE2 . GLN A 1 67 ? -10.636 18.284 -11.344 1.0 50.51 ? 67 A 4 +ATOM 1013 H H . GLN A 1 67 ? -8.597 14.338 -13.745 1.0 54.23 ? 67 A 4 +ATOM 1014 H HA . GLN A 1 67 ? -6.698 14.272 -11.493 1.0 21.13 ? 67 A 4 +ATOM 1015 H HB2 . GLN A 1 67 ? -8.061 15.933 -10.348 1.0 61.05 ? 67 A 4 +ATOM 1016 H HB3 . GLN A 1 67 ? -7.523 16.553 -11.903 1.0 21.05 ? 67 A 4 +ATOM 1017 H HG2 . GLN A 1 67 ? -9.618 16.57 -12.784 1.0 63.24 ? 67 A 4 +ATOM 1018 H HG3 . GLN A 1 67 ? -10.168 15.222 -11.791 1.0 63.02 ? 67 A 4 +ATOM 1019 H HE21 . GLN A 1 67 ? -10.475 18.446 -12.297 1.0 0.12 ? 67 A 4 +ATOM 1020 H HE22 . GLN A 1 67 ? -11.063 18.932 -10.747 1.0 72.41 ? 67 A 4 +ATOM 1021 N N . LYS A 1 68 ? -8.701 13.447 -9.836 1.0 63.33 ? 68 A 4 +ATOM 1022 C CA . LYS A 1 68 ? -9.523 12.509 -9.08 1.0 34.0 ? 68 A 4 +ATOM 1023 C C . LYS A 1 68 ? -11.006 12.756 -9.337 1.0 33.21 ? 68 A 4 +ATOM 1024 O O . LYS A 1 68 ? -11.814 11.829 -9.299 1.0 33.01 ? 68 A 4 +ATOM 1025 C CB . LYS A 1 68 ? -9.227 12.631 -7.583 1.0 41.41 ? 68 A 4 +ATOM 1026 C CG . LYS A 1 68 ? -9.689 11.433 -6.772 1.0 61.44 ? 68 A 4 +ATOM 1027 C CD . LYS A 1 68 ? -8.867 10.195 -7.087 1.0 43.41 ? 68 A 4 +ATOM 1028 C CE . LYS A 1 68 ? -7.57 10.17 -6.292 1.0 23.43 ? 68 A 4 +ATOM 1029 N NZ . LYS A 1 68 ? -7.82 10.152 -4.824 1.0 52.05 ? 68 A 4 +ATOM 1030 H H . LYS A 1 68 ? -8.204 14.142 -9.355 1.0 75.53 ? 68 A 4 +ATOM 1031 H HA . LYS A 1 68 ? -9.274 11.511 -9.407 1.0 31.4 ? 68 A 4 +ATOM 1032 H HB2 . LYS A 1 68 ? -8.161 12.742 -7.447 1.0 51.5 ? 68 A 4 +ATOM 1033 H HB3 . LYS A 1 68 ? -9.723 13.512 -7.201 1.0 62.4 ? 68 A 4 +ATOM 1034 H HG2 . LYS A 1 68 ? -9.589 11.661 -5.721 1.0 22.33 ? 68 A 4 +ATOM 1035 H HG3 . LYS A 1 68 ? -10.726 11.233 -7.002 1.0 45.02 ? 68 A 4 +ATOM 1036 H HD2 . LYS A 1 68 ? -9.444 9.317 -6.84 1.0 14.2 ? 68 A 4 +ATOM 1037 H HD3 . LYS A 1 68 ? -8.632 10.189 -8.142 1.0 13.53 ? 68 A 4 +ATOM 1038 H HE2 . LYS A 1 68 ? -7.013 9.287 -6.565 1.0 43.13 ? 68 A 4 +ATOM 1039 H HE3 . LYS A 1 68 ? -6.995 11.05 -6.54 1.0 63.42 ? 68 A 4 +ATOM 1040 H HZ1 . LYS A 1 68 ? -7.233 9.423 -4.37 1.0 1.54 ? 68 A 4 +ATOM 1041 H HZ2 . LYS A 1 68 ? -8.822 9.943 -4.635 1.0 73.32 ? 68 A 4 +ATOM 1042 H HZ3 . LYS A 1 68 ? -7.587 11.077 -4.41 1.0 23.44 ? 68 A 4 +ATOM 1043 N N . GLU A 1 69 ? -11.356 14.011 -9.6 1.0 51.1 ? 69 A 4 +ATOM 1044 C CA . GLU A 1 69 ? -12.742 14.378 -9.864 1.0 15.41 ? 69 A 4 +ATOM 1045 C C . GLU A 1 69 ? -12.819 15.535 -10.857 1.0 20.25 ? 69 A 4 +ATOM 1046 O O . GLU A 1 69 ? -13.054 16.681 -10.474 1.0 55.15 ? 69 A 4 +ATOM 1047 C CB . GLU A 1 69 ? -13.448 14.761 -8.562 1.0 42.14 ? 69 A 4 +ATOM 1048 C CG . GLU A 1 69 ? -13.647 13.593 -7.611 1.0 32.44 ? 69 A 4 +ATOM 1049 C CD . GLU A 1 69 ? -14.052 14.037 -6.218 1.0 60.3 ? 69 A 4 +ATOM 1050 O OE1 . GLU A 1 69 ? -14.196 15.259 -6.004 1.0 52.11 ? 69 A 4 +ATOM 1051 O OE2 . GLU A 1 69 ? -14.225 13.163 -5.343 1.0 33.22 ? 69 A 4 +ATOM 1052 H H . GLU A 1 69 ? -10.665 14.707 -9.616 1.0 51.55 ? 69 A 4 +ATOM 1053 H HA . GLU A 1 69 ? -13.237 13.519 -10.291 1.0 21.13 ? 69 A 4 +ATOM 1054 H HB2 . GLU A 1 69 ? -12.862 15.515 -8.057 1.0 70.35 ? 69 A 4 +ATOM 1055 H HB3 . GLU A 1 69 ? -14.418 15.173 -8.801 1.0 25.14 ? 69 A 4 +ATOM 1056 H HG2 . GLU A 1 69 ? -14.42 12.951 -8.006 1.0 60.54 ? 69 A 4 +ATOM 1057 H HG3 . GLU A 1 69 ? -12.722 13.04 -7.542 1.0 2.43 ? 69 A 4 +ATOM 1058 N N . SER A 1 70 ? -12.619 15.225 -12.134 1.0 51.41 ? 70 A 4 +ATOM 1059 C CA . SER A 1 70 ? -12.661 16.238 -13.182 1.0 50.24 ? 70 A 4 +ATOM 1060 C C . SER A 1 70 ? -14.067 16.362 -13.761 1.0 72.1 ? 70 A 4 +ATOM 1061 O O . SER A 1 70 ? -14.678 15.37 -14.159 1.0 13.02 ? 70 A 4 +ATOM 1062 C CB . SER A 1 70 ? -11.668 15.894 -14.293 1.0 75.43 ? 70 A 4 +ATOM 1063 O OG . SER A 1 70 ? -12.31 15.851 -15.556 1.0 45.33 ? 70 A 4 +ATOM 1064 H H . SER A 1 70 ? -12.436 14.293 -12.376 1.0 42.55 ? 70 A 4 +ATOM 1065 H HA . SER A 1 70 ? -12.382 17.183 -12.741 1.0 61.25 ? 70 A 4 +ATOM 1066 H HB2 . SER A 1 70 ? -10.891 16.643 -14.323 1.0 1.23 ? 70 A 4 +ATOM 1067 H HB3 . SER A 1 70 ? -11.229 14.927 -14.093 1.0 50.33 ? 70 A 4 +ATOM 1068 H HG . SER A 1 70 ? -12.385 16.741 -15.907 1.0 14.24 ? 70 A 4 +ATOM 1069 N N . THR A 1 71 ? -14.576 17.589 -13.805 1.0 52.55 ? 71 A 4 +ATOM 1070 C CA . THR A 1 71 ? -15.91 17.845 -14.333 1.0 43.33 ? 71 A 4 +ATOM 1071 C C . THR A 1 71 ? -15.854 18.222 -15.809 1.0 63.44 ? 71 A 4 +ATOM 1072 O O . THR A 1 71 ? -15.308 19.264 -16.175 1.0 13.52 ? 71 A 4 +ATOM 1073 C CB . THR A 1 71 ? -16.617 18.971 -13.555 1.0 4.41 ? 71 A 4 +ATOM 1074 O OG1 . THR A 1 71 ? -15.681 20.007 -13.235 1.0 4.41 ? 71 A 4 +ATOM 1075 C CG2 . THR A 1 71 ? -17.244 18.434 -12.277 1.0 4.35 ? 71 A 4 +ATOM 1076 H H . THR A 1 71 ? -14.041 18.34 -13.472 1.0 14.04 ? 71 A 4 +ATOM 1077 H HA . THR A 1 71 ? -16.491 16.941 -14.224 1.0 24.13 ? 71 A 4 +ATOM 1078 H HB . THR A 1 71 ? -17.398 19.383 -14.177 1.0 70.41 ? 71 A 4 +ATOM 1079 H HG1 . THR A 1 71 ? -16.148 20.752 -12.848 1.0 53.11 ? 71 A 4 +ATOM 1080 H HG21 . THR A 1 71 ? -18.249 18.099 -12.484 1.0 12.42 ? 71 A 4 +ATOM 1081 H HG22 . THR A 1 71 ? -17.272 19.217 -11.534 1.0 75.2 ? 71 A 4 +ATOM 1082 H HG23 . THR A 1 71 ? -16.656 17.607 -11.908 1.0 31.12 ? 71 A 4 +ATOM 1083 N N . LEU A 1 72 ? -16.421 17.368 -16.655 1.0 74.32 ? 72 A 4 +ATOM 1084 C CA . LEU A 1 72 ? -16.436 17.612 -18.093 1.0 62.12 ? 72 A 4 +ATOM 1085 C C . LEU A 1 72 ? -17.848 17.479 -18.653 1.0 14.1 ? 72 A 4 +ATOM 1086 O O . LEU A 1 72 ? -18.679 16.754 -18.105 1.0 22.33 ? 72 A 4 +ATOM 1087 C CB . LEU A 1 72 ? -15.499 16.635 -18.805 1.0 54.24 ? 72 A 4 +ATOM 1088 C CG . LEU A 1 72 ? -16.122 15.313 -19.255 1.0 12.34 ? 72 A 4 +ATOM 1089 C CD1 . LEU A 1 72 ? -16.454 15.357 -20.739 1.0 71.53 ? 72 A 4 +ATOM 1090 C CD2 . LEU A 1 72 ? -15.188 14.152 -18.95 1.0 45.31 ? 72 A 4 +ATOM 1091 H H . LEU A 1 72 ? -16.84 16.555 -16.305 1.0 40.44 ? 72 A 4 +ATOM 1092 H HA . LEU A 1 72 ? -16.088 18.62 -18.262 1.0 22.23 ? 72 A 4 +ATOM 1093 H HB2 . LEU A 1 72 ? -15.108 17.131 -19.681 1.0 24.33 ? 72 A 4 +ATOM 1094 H HB3 . LEU A 1 72 ? -14.686 16.406 -18.131 1.0 64.44 ? 72 A 4 +ATOM 1095 H HG . LEU A 1 72 ? -17.044 15.154 -18.712 1.0 60.22 ? 72 A 4 +ATOM 1096 H HD11 . LEU A 1 72 ? -16.578 14.351 -21.11 1.0 22.12 ? 72 A 4 +ATOM 1097 H HD12 . LEU A 1 72 ? -15.65 15.842 -21.273 1.0 11.12 ? 72 A 4 +ATOM 1098 H HD13 . LEU A 1 72 ? -17.37 15.911 -20.886 1.0 74.11 ? 72 A 4 +ATOM 1099 H HD21 . LEU A 1 72 ? -15.725 13.221 -19.052 1.0 45.11 ? 72 A 4 +ATOM 1100 H HD22 . LEU A 1 72 ? -14.816 14.245 -17.94 1.0 64.51 ? 72 A 4 +ATOM 1101 H HD23 . LEU A 1 72 ? -14.357 14.167 -19.641 1.0 15.53 ? 72 A 4 +ATOM 1102 N N . HIS A 1 73 ? -18.113 18.182 -19.75 1.0 22.1 ? 73 A 4 +ATOM 1103 C CA . HIS A 1 73 ? -19.425 18.141 -20.386 1.0 43.22 ? 73 A 4 +ATOM 1104 C C . HIS A 1 73 ? -19.433 17.154 -21.55 1.0 1.12 ? 73 A 4 +ATOM 1105 O O . HIS A 1 73 ? -18.664 17.295 -22.502 1.0 41.41 ? 73 A 4 +ATOM 1106 C CB . HIS A 1 73 ? -19.82 19.533 -20.88 1.0 34.11 ? 73 A 4 +ATOM 1107 C CG . HIS A 1 73 ? -19.809 20.575 -19.805 1.0 25.31 ? 73 A 4 +ATOM 1108 N ND1 . HIS A 1 73 ? -19.72 21.926 -20.067 1.0 22.31 ? 73 A 4 +ATOM 1109 C CD2 . HIS A 1 73 ? -19.877 20.458 -18.458 1.0 30.12 ? 73 A 4 +ATOM 1110 C CE1 . HIS A 1 73 ? -19.733 22.595 -18.928 1.0 74.03 ? 73 A 4 +ATOM 1111 N NE2 . HIS A 1 73 ? -19.828 21.728 -17.936 1.0 22.32 ? 73 A 4 +ATOM 1112 H H . HIS A 1 73 ? -17.41 18.742 -20.14 1.0 41.1 ? 73 A 4 +ATOM 1113 H HA . HIS A 1 73 ? -20.141 17.813 -19.649 1.0 23.25 ? 73 A 4 +ATOM 1114 H HB2 . HIS A 1 73 ? -19.129 19.844 -21.65 1.0 51.13 ? 73 A 4 +ATOM 1115 H HB3 . HIS A 1 73 ? -20.818 19.492 -21.293 1.0 64.13 ? 73 A 4 +ATOM 1116 H HD1 . HIS A 1 73 ? -19.656 22.333 -20.955 1.0 63.31 ? 73 A 4 +ATOM 1117 H HD2 . HIS A 1 73 ? -19.955 19.538 -17.897 1.0 71.43 ? 73 A 4 +ATOM 1118 H HE1 . HIS A 1 73 ? -19.676 23.668 -18.824 1.0 3.34 ? 73 A 4 +ATOM 1119 N N . LEU A 1 74 ? -20.306 16.156 -21.467 1.0 31.4 ? 74 A 4 +ATOM 1120 C CA . LEU A 1 74 ? -20.413 15.145 -22.513 1.0 41.22 ? 74 A 4 +ATOM 1121 C C . LEU A 1 74 ? -21.662 15.369 -23.361 1.0 21.0 ? 74 A 4 +ATOM 1122 O O . LEU A 1 74 ? -22.784 15.318 -22.858 1.0 70.53 ? 74 A 4 +ATOM 1123 C CB . LEU A 1 74 ? -20.447 13.746 -21.896 1.0 42.32 ? 74 A 4 +ATOM 1124 C CG . LEU A 1 74 ? -21.164 12.669 -22.712 1.0 13.02 ? 74 A 4 +ATOM 1125 C CD1 . LEU A 1 74 ? -20.497 12.494 -24.067 1.0 50.12 ? 74 A 4 +ATOM 1126 C CD2 . LEU A 1 74 ? -21.186 11.351 -21.952 1.0 22.4 ? 74 A 4 +ATOM 1127 H H . LEU A 1 74 ? -20.892 16.097 -20.685 1.0 53.04 ? 74 A 4 +ATOM 1128 H HA . LEU A 1 74 ? -19.543 15.23 -23.147 1.0 65.43 ? 74 A 4 +ATOM 1129 H HB2 . LEU A 1 74 ? -19.427 13.425 -21.749 1.0 22.02 ? 74 A 4 +ATOM 1130 H HB3 . LEU A 1 74 ? -20.941 13.82 -20.938 1.0 20.31 ? 74 A 4 +ATOM 1131 H HG . LEU A 1 74 ? -22.187 12.976 -22.881 1.0 34.12 ? 74 A 4 +ATOM 1132 H HD11 . LEU A 1 74 ? -20.505 11.45 -24.34 1.0 33.01 ? 74 A 4 +ATOM 1133 H HD12 . LEU A 1 74 ? -19.477 12.844 -24.014 1.0 1.34 ? 74 A 4 +ATOM 1134 H HD13 . LEU A 1 74 ? -21.035 13.065 -24.81 1.0 63.14 ? 74 A 4 +ATOM 1135 H HD21 . LEU A 1 74 ? -20.179 11.078 -21.674 1.0 12.32 ? 74 A 4 +ATOM 1136 H HD22 . LEU A 1 74 ? -21.608 10.581 -22.581 1.0 54.43 ? 74 A 4 +ATOM 1137 H HD23 . LEU A 1 74 ? -21.789 11.459 -21.062 1.0 14.02 ? 74 A 4 +ATOM 1138 N N . VAL A 1 75 ? -21.458 15.616 -24.651 1.0 43.5 ? 75 A 4 +ATOM 1139 C CA . VAL A 1 75 ? -22.567 15.845 -25.57 1.0 52.32 ? 75 A 4 +ATOM 1140 C C . VAL A 1 75 ? -22.713 14.689 -26.553 1.0 61.15 ? 75 A 4 +ATOM 1141 O O . VAL A 1 75 ? -21.768 14.336 -27.259 1.0 54.31 ? 75 A 4 +ATOM 1142 C CB . VAL A 1 75 ? -22.381 17.155 -26.359 1.0 24.5 ? 75 A 4 +ATOM 1143 C CG1 . VAL A 1 75 ? -23.59 17.423 -27.242 1.0 55.3 ? 75 A 4 +ATOM 1144 C CG2 . VAL A 1 75 ? -22.136 18.318 -25.409 1.0 64.14 ? 75 A 4 +ATOM 1145 H H . VAL A 1 75 ? -20.54 15.644 -24.993 1.0 70.11 ? 75 A 4 +ATOM 1146 H HA . VAL A 1 75 ? -23.473 15.926 -24.987 1.0 60.52 ? 75 A 4 +ATOM 1147 H HB . VAL A 1 75 ? -21.515 17.048 -26.995 1.0 44.41 ? 75 A 4 +ATOM 1148 H HG11 . VAL A 1 75 ? -23.292 17.39 -28.279 1.0 31.54 ? 75 A 4 +ATOM 1149 H HG12 . VAL A 1 75 ? -24.344 16.671 -27.058 1.0 61.34 ? 75 A 4 +ATOM 1150 H HG13 . VAL A 1 75 ? -23.992 18.399 -27.014 1.0 54.52 ? 75 A 4 +ATOM 1151 H HG21 . VAL A 1 75 ? -22.002 19.225 -25.978 1.0 5.24 ? 75 A 4 +ATOM 1152 H HG22 . VAL A 1 75 ? -22.983 18.427 -24.749 1.0 61.35 ? 75 A 4 +ATOM 1153 H HG23 . VAL A 1 75 ? -21.247 18.125 -24.825 1.0 24.43 ? 75 A 4 +ATOM 1154 N N . LEU A 1 76 ? -23.904 14.102 -26.594 1.0 35.1 ? 76 A 4 +ATOM 1155 C CA . LEU A 1 76 ? -24.176 12.985 -27.492 1.0 22.53 ? 76 A 4 +ATOM 1156 C C . LEU A 1 76 ? -25.374 13.284 -28.387 1.0 2.14 ? 76 A 4 +ATOM 1157 O O . LEU A 1 76 ? -26.383 13.821 -27.931 1.0 21.5 ? 76 A 4 +ATOM 1158 C CB . LEU A 1 76 ? -24.432 11.709 -26.688 1.0 73.12 ? 76 A 4 +ATOM 1159 C CG . LEU A 1 76 ? -24.342 11.845 -25.167 1.0 64.45 ? 76 A 4 +ATOM 1160 C CD1 . LEU A 1 76 ? -25.61 12.474 -24.612 1.0 24.13 ? 76 A 4 +ATOM 1161 C CD2 . LEU A 1 76 ? -24.092 10.488 -24.524 1.0 22.03 ? 76 A 4 +ATOM 1162 H H . LEU A 1 76 ? -24.618 14.427 -26.008 1.0 44.32 ? 76 A 4 +ATOM 1163 H HA . LEU A 1 76 ? -23.305 12.84 -28.114 1.0 53.04 ? 76 A 4 +ATOM 1164 H HB2 . LEU A 1 76 ? -25.424 11.359 -26.93 1.0 71.31 ? 76 A 4 +ATOM 1165 H HB3 . LEU A 1 76 ? -23.706 10.971 -26.999 1.0 62.14 ? 76 A 4 +ATOM 1166 H HG . LEU A 1 76 ? -23.512 12.492 -24.918 1.0 42.11 ? 76 A 4 +ATOM 1167 H HD11 . LEU A 1 76 ? -26.437 12.261 -25.272 1.0 12.14 ? 76 A 4 +ATOM 1168 H HD12 . LEU A 1 76 ? -25.477 13.543 -24.534 1.0 23.21 ? 76 A 4 +ATOM 1169 H HD13 . LEU A 1 76 ? -25.815 12.066 -23.633 1.0 40.2 ? 76 A 4 +ATOM 1170 H HD21 . LEU A 1 76 ? -24.053 9.729 -25.291 1.0 53.24 ? 76 A 4 +ATOM 1171 H HD22 . LEU A 1 76 ? -24.893 10.264 -23.835 1.0 72.02 ? 76 A 4 +ATOM 1172 H HD23 . LEU A 1 76 ? -23.153 10.511 -23.991 1.0 63.4 ? 76 A 4 +ATOM 1173 N N . ARG A 1 77 ? -25.256 12.931 -29.663 1.0 50.44 ? 77 A 4 +ATOM 1174 C CA . ARG A 1 77 ? -26.33 13.162 -30.622 1.0 12.4 ? 77 A 4 +ATOM 1175 C C . ARG A 1 77 ? -26.916 11.84 -31.109 1.0 10.32 ? 77 A 4 +ATOM 1176 O O . ARG A 1 77 ? -26.773 11.479 -32.278 1.0 12.43 ? 77 A 4 +ATOM 1177 C CB . ARG A 1 77 ? -25.814 13.973 -31.812 1.0 55.35 ? 77 A 4 +ATOM 1178 C CG . ARG A 1 77 ? -24.539 13.415 -32.423 1.0 12.22 ? 77 A 4 +ATOM 1179 C CD . ARG A 1 77 ? -23.305 14.1 -31.857 1.0 60.22 ? 77 A 4 +ATOM 1180 N NE . ARG A 1 77 ? -23.258 15.518 -32.205 1.0 64.33 ? 77 A 4 +ATOM 1181 C CZ . ARG A 1 77 ? -22.183 16.28 -32.037 1.0 13.31 ? 77 A 4 +ATOM 1182 N NH1 . ARG A 1 77 ? -21.072 15.763 -31.53 1.0 63.3 ? 77 A 4 +ATOM 1183 N NH2 . ARG A 1 77 ? -22.217 17.562 -32.378 1.0 70.54 ? 77 A 4 +ATOM 1184 H H . ARG A 1 77 ? -24.426 12.507 -29.967 1.0 2.41 ? 77 A 4 +ATOM 1185 H HA . ARG A 1 77 ? -27.105 13.724 -30.123 1.0 53.23 ? 77 A 4 +ATOM 1186 H HB2 . ARG A 1 77 ? -26.576 13.991 -32.578 1.0 41.04 ? 77 A 4 +ATOM 1187 H HB3 . ARG A 1 77 ? -25.619 14.983 -31.486 1.0 23.23 ? 77 A 4 +ATOM 1188 H HG2 . ARG A 1 77 ? -24.481 12.358 -32.209 1.0 3.21 ? 77 A 4 +ATOM 1189 H HG3 . ARG A 1 77 ? -24.567 13.567 -33.492 1.0 45.32 ? 77 A 4 +ATOM 1190 H HD2 . ARG A 1 77 ? -23.317 14.003 -30.782 1.0 24.22 ? 77 A 4 +ATOM 1191 H HD3 . ARG A 1 77 ? -22.426 13.612 -32.253 1.0 55.12 ? 77 A 4 +ATOM 1192 H HE . ARG A 1 77 ? -24.067 15.92 -32.581 1.0 41.44 ? 77 A 4 +ATOM 1193 H HH11 . ARG A 1 77 ? -21.043 14.798 -31.273 1.0 31.24 ? 77 A 4 +ATOM 1194 H HH12 . ARG A 1 77 ? -20.264 16.339 -31.406 1.0 72.5 ? 77 A 4 +ATOM 1195 H HH21 . ARG A 1 77 ? -23.053 17.955 -32.761 1.0 71.34 ? 77 A 4 +ATOM 1196 H HH22 . ARG A 1 77 ? -21.408 18.135 -32.251 1.0 1.44 ? 77 A 4 +ATOM 1197 N N . LEU A 1 78 ? -27.575 11.122 -30.206 1.0 31.03 ? 78 A 4 +ATOM 1198 C CA . LEU A 1 78 ? -28.183 9.84 -30.544 1.0 51.32 ? 78 A 4 +ATOM 1199 C C . LEU A 1 78 ? -29.299 10.019 -31.567 1.0 14.11 ? 78 A 4 +ATOM 1200 O O . LEU A 1 78 ? -29.531 9.148 -32.407 1.0 12.31 ? 78 A 4 +ATOM 1201 C CB . LEU A 1 78 ? -28.732 9.166 -29.285 1.0 42.51 ? 78 A 4 +ATOM 1202 C CG . LEU A 1 78 ? -27.753 8.277 -28.518 1.0 51.45 ? 78 A 4 +ATOM 1203 C CD1 . LEU A 1 78 ? -26.593 9.1 -27.98 1.0 14.44 ? 78 A 4 +ATOM 1204 C CD2 . LEU A 1 78 ? -28.466 7.553 -27.385 1.0 25.32 ? 78 A 4 +ATOM 1205 H H . LEU A 1 78 ? -27.655 11.462 -29.291 1.0 75.31 ? 78 A 4 +ATOM 1206 H HA . LEU A 1 78 ? -27.415 9.212 -30.972 1.0 64.2 ? 78 A 4 +ATOM 1207 H HB2 . LEU A 1 78 ? -29.068 9.943 -28.615 1.0 61.14 ? 78 A 4 +ATOM 1208 H HB3 . LEU A 1 78 ? -29.575 8.557 -29.578 1.0 62.32 ? 78 A 4 +ATOM 1209 H HG . LEU A 1 78 ? -27.35 7.532 -29.19 1.0 53.42 ? 78 A 4 +ATOM 1210 H HD11 . LEU A 1 78 ? -25.967 8.477 -27.359 1.0 3.24 ? 78 A 4 +ATOM 1211 H HD12 . LEU A 1 78 ? -26.976 9.923 -27.395 1.0 74.14 ? 78 A 4 +ATOM 1212 H HD13 . LEU A 1 78 ? -26.012 9.485 -28.806 1.0 11.41 ? 78 A 4 +ATOM 1213 H HD21 . LEU A 1 78 ? -28.116 6.533 -27.333 1.0 65.32 ? 78 A 4 +ATOM 1214 H HD22 . LEU A 1 78 ? -29.531 7.56 -27.567 1.0 65.43 ? 78 A 4 +ATOM 1215 H HD23 . LEU A 1 78 ? -28.258 8.054 -26.45 1.0 34.04 ? 78 A 4 +ATOM 1216 N N . ARG A 1 79 ? -29.987 11.153 -31.493 1.0 44.5 ? 79 A 4 +ATOM 1217 C CA . ARG A 1 79 ? -31.079 11.447 -32.413 1.0 54.44 ? 79 A 4 +ATOM 1218 C C . ARG A 1 79 ? -30.591 11.427 -33.859 1.0 43.43 ? 79 A 4 +ATOM 1219 O O . ARG A 1 79 ? -31.355 11.136 -34.778 1.0 24.23 ? 79 A 4 +ATOM 1220 C CB . ARG A 1 79 ? -31.693 12.81 -32.09 1.0 53.1 ? 79 A 4 +ATOM 1221 C CG . ARG A 1 79 ? -33.179 12.749 -31.777 1.0 62.42 ? 79 A 4 +ATOM 1222 C CD . ARG A 1 79 ? -33.464 11.824 -30.604 1.0 15.2 ? 79 A 4 +ATOM 1223 N NE . ARG A 1 79 ? -34.776 12.074 -30.015 1.0 22.21 ? 79 A 4 +ATOM 1224 C CZ . ARG A 1 79 ? -35.417 11.199 -29.248 1.0 43.33 ? 79 A 4 +ATOM 1225 N NH1 . ARG A 1 79 ? -34.868 10.022 -28.979 1.0 51.34 ? 79 A 4 +ATOM 1226 N NH2 . ARG A 1 79 ? -36.609 11.499 -28.749 1.0 24.34 ? 79 A 4 +ATOM 1227 H H . ARG A 1 79 ? -29.755 11.809 -30.801 1.0 30.43 ? 79 A 4 +ATOM 1228 H HA . ARG A 1 79 ? -31.832 10.684 -32.289 1.0 75.12 ? 79 A 4 +ATOM 1229 H HB2 . ARG A 1 79 ? -31.184 13.228 -31.234 1.0 72.51 ? 79 A 4 +ATOM 1230 H HB3 . ARG A 1 79 ? -31.553 13.464 -32.938 1.0 62.3 ? 79 A 4 +ATOM 1231 H HG2 . ARG A 1 79 ? -33.527 13.742 -31.53 1.0 34.21 ? 79 A 4 +ATOM 1232 H HG3 . ARG A 1 79 ? -33.707 12.386 -32.646 1.0 51.44 ? 79 A 4 +ATOM 1233 H HD2 . ARG A 1 79 ? -33.424 10.802 -30.95 1.0 21.42 ? 79 A 4 +ATOM 1234 H HD3 . ARG A 1 79 ? -32.706 11.978 -29.85 1.0 24.22 ? 79 A 4 +ATOM 1235 H HE . ARG A 1 79 ? -35.2 12.937 -30.201 1.0 63.2 ? 79 A 4 +ATOM 1236 H HH11 . ARG A 1 79 ? -33.969 9.793 -29.353 1.0 0.03 ? 79 A 4 +ATOM 1237 H HH12 . ARG A 1 79 ? -35.352 9.365 -28.4 1.0 54.33 ? 79 A 4 +ATOM 1238 H HH21 . ARG A 1 79 ? -37.026 12.385 -28.95 1.0 72.3 ? 79 A 4 +ATOM 1239 H HH22 . ARG A 1 79 ? -37.09 10.84 -28.172 1.0 2.44 ? 79 A 4 +ATOM 1240 N N . GLY A 1 80 ? -29.313 11.737 -34.052 1.0 11.03 ? 80 A 4 +ATOM 1241 C CA . GLY A 1 80 ? -28.745 11.749 -35.387 1.0 3.12 ? 80 A 4 +ATOM 1242 C C . GLY A 1 80 ? -28.493 10.354 -35.922 1.0 52.34 ? 80 A 4 +ATOM 1243 O O . GLY A 1 80 ? -29.216 9.875 -36.795 1.0 43.44 ? 80 A 4 +ATOM 1244 H H . GLY A 1 80 ? -28.75 11.96 -33.28 1.0 0.24 ? 80 A 4 +ATOM 1245 H HA2 . GLY A 1 80 ? -29.426 12.26 -36.051 1.0 71.24 ? 80 A 4 +ATOM 1246 H HA3 . GLY A 1 80 ? -27.809 12.288 -35.364 1.0 43.14 ? 80 A 4 +ATOM 1247 N N . GLY A 1 81 ? -27.46 9.699 -35.399 1.0 43.34 ? 81 A 4 +ATOM 1248 C CA . GLY A 1 81 ? -27.131 8.357 -35.844 1.0 20.2 ? 81 A 4 +ATOM 1249 C C . GLY A 1 81 ? -26.628 8.326 -37.273 1.0 63.23 ? 81 A 4 +ATOM 1250 O O . GLY A 1 81 ? -26.772 9.302 -38.01 1.0 30.24 ? 81 A 4 +ATOM 1251 H H . GLY A 1 81 ? -26.918 10.13 -34.706 1.0 11.33 ? 81 A 4 +ATOM 1252 H HA2 . GLY A 1 81 ? -26.368 7.952 -35.196 1.0 30.51 ? 81 A 4 +ATOM 1253 H HA3 . GLY A 1 81 ? -28.015 7.74 -35.772 1.0 55.14 ? 81 A 4 +ATOM 1254 N N . VAL A 1 82 ? -26.036 7.204 -37.667 1.0 30.52 ? 82 A 4 +ATOM 1255 C CA . VAL A 1 82 ? -25.509 7.05 -39.018 1.0 4.45 ? 82 A 4 +ATOM 1256 C C . VAL A 1 82 ? -26.263 5.967 -39.782 1.0 63.52 ? 82 A 4 +ATOM 1257 O O . VAL A 1 82 ? -26.525 6.104 -40.977 1.0 12.52 ? 82 A 4 +ATOM 1258 C CB . VAL A 1 82 ? -24.01 6.699 -38.999 1.0 53.54 ? 82 A 4 +ATOM 1259 C CG1 . VAL A 1 82 ? -23.79 5.325 -38.385 1.0 33.31 ? 82 A 4 +ATOM 1260 C CG2 . VAL A 1 82 ? -23.43 6.764 -40.404 1.0 1.13 ? 82 A 4 +ATOM 1261 H H . VAL A 1 82 ? -25.952 6.46 -37.034 1.0 42.11 ? 82 A 4 +ATOM 1262 H HA . VAL A 1 82 ? -25.631 7.992 -39.533 1.0 65.12 ? 82 A 4 +ATOM 1263 H HB . VAL A 1 82 ? -23.498 7.428 -38.387 1.0 3.02 ? 82 A 4 +ATOM 1264 H HG11 . VAL A 1 82 ? -24.437 5.206 -37.529 1.0 71.54 ? 82 A 4 +ATOM 1265 H HG12 . VAL A 1 82 ? -24.016 4.563 -39.117 1.0 43.52 ? 82 A 4 +ATOM 1266 H HG13 . VAL A 1 82 ? -22.76 5.231 -38.074 1.0 60.31 ? 82 A 4 +ATOM 1267 H HG21 . VAL A 1 82 ? -23.442 7.786 -40.752 1.0 51.1 ? 82 A 4 +ATOM 1268 H HG22 . VAL A 1 82 ? -22.414 6.399 -40.391 1.0 43.42 ? 82 A 4 +ATOM 1269 H HG23 . VAL A 1 82 ? -24.024 6.152 -41.067 1.0 61.21 ? 82 A 4 +ATOM 1 N N . GLY A 1 1 ? -7.895 -5.399 -4.914 1.0 13.0 ? 1 A 5 +ATOM 2 C CA . GLY A 1 1 ? -7.708 -4.184 -4.141 1.0 45.03 ? 1 A 5 +ATOM 3 C C . GLY A 1 1 ? -6.451 -3.434 -4.534 1.0 65.21 ? 1 A 5 +ATOM 4 O O . GLY A 1 1 ? -5.48 -3.37 -3.78 1.0 33.34 ? 1 A 5 +ATOM 5 H H1 . GLY A 1 1 ? -7.317 -6.174 -4.752 1.0 52.4 ? 1 A 5 +ATOM 6 H HA2 . GLY A 1 1 ? -8.561 -3.54 -4.292 1.0 14.15 ? 1 A 5 +ATOM 7 H HA3 . GLY A 1 1 ? -7.646 -4.443 -3.094 1.0 34.23 ? 1 A 5 +ATOM 8 N N . PRO A 1 2 ? -6.458 -2.851 -5.742 1.0 55.32 ? 2 A 5 +ATOM 9 C CA . PRO A 1 2 ? -5.316 -2.093 -6.262 1.0 21.43 ? 2 A 5 +ATOM 10 C C . PRO A 1 2 ? -5.108 -0.777 -5.519 1.0 41.45 ? 2 A 5 +ATOM 11 O O . PRO A 1 2 ? -5.823 -0.472 -4.564 1.0 62.42 ? 2 A 5 +ATOM 12 C CB . PRO A 1 2 ? -5.7 -1.83 -7.72 1.0 51.45 ? 2 A 5 +ATOM 13 C CG . PRO A 1 2 ? -7.189 -1.876 -7.735 1.0 43.11 ? 2 A 5 +ATOM 14 C CD . PRO A 1 2 ? -7.581 -2.888 -6.693 1.0 64.14 ? 2 A 5 +ATOM 15 H HA . PRO A 1 2 ? -4.406 -2.673 -6.226 1.0 31.54 ? 2 A 5 +ATOM 16 H HB2 . PRO A 1 2 ? -5.331 -0.859 -8.022 1.0 42.4 ? 2 A 5 +ATOM 17 H HB3 . PRO A 1 2 ? -5.275 -2.595 -8.352 1.0 62.54 ? 2 A 5 +ATOM 18 H HG2 . PRO A 1 2 ? -7.589 -0.906 -7.485 1.0 3.22 ? 2 A 5 +ATOM 19 H HG3 . PRO A 1 2 ? -7.536 -2.188 -8.709 1.0 51.14 ? 2 A 5 +ATOM 20 H HD2 . PRO A 1 2 ? -8.503 -2.596 -6.213 1.0 11.0 ? 2 A 5 +ATOM 21 H HD3 . PRO A 1 2 ? -7.679 -3.868 -7.137 1.0 24.12 ? 2 A 5 +ATOM 22 N N . LEU A 1 3 ? -4.127 -0.001 -5.965 1.0 34.12 ? 3 A 5 +ATOM 23 C CA . LEU A 1 3 ? -3.825 1.284 -5.343 1.0 54.03 ? 3 A 5 +ATOM 24 C C . LEU A 1 3 ? -3.705 2.383 -6.394 1.0 63.21 ? 3 A 5 +ATOM 25 O O . LEU A 1 3 ? -3.364 2.119 -7.546 1.0 11.24 ? 3 A 5 +ATOM 26 C CB . LEU A 1 3 ? -2.529 1.19 -4.536 1.0 60.12 ? 3 A 5 +ATOM 27 C CG . LEU A 1 3 ? -2.679 1.248 -3.015 1.0 64.13 ? 3 A 5 +ATOM 28 C CD1 . LEU A 1 3 ? -2.66 -0.153 -2.424 1.0 62.25 ? 3 A 5 +ATOM 29 C CD2 . LEU A 1 3 ? -1.579 2.102 -2.403 1.0 0.12 ? 3 A 5 +ATOM 30 H H . LEU A 1 3 ? -3.592 -0.297 -6.73 1.0 52.35 ? 3 A 5 +ATOM 31 H HA . LEU A 1 3 ? -4.638 1.528 -4.676 1.0 43.13 ? 3 A 5 +ATOM 32 H HB2 . LEU A 1 3 ? -2.051 0.255 -4.786 1.0 74.24 ? 3 A 5 +ATOM 33 H HB3 . LEU A 1 3 ? -1.892 2.01 -4.838 1.0 72.41 ? 3 A 5 +ATOM 34 H HG . LEU A 1 3 ? -3.631 1.7 -2.771 1.0 43.5 ? 3 A 5 +ATOM 35 H HD11 . LEU A 1 3 ? -3.389 -0.767 -2.93 1.0 50.45 ? 3 A 5 +ATOM 36 H HD12 . LEU A 1 3 ? -2.9 -0.103 -1.372 1.0 4.34 ? 3 A 5 +ATOM 37 H HD13 . LEU A 1 3 ? -1.677 -0.583 -2.548 1.0 54.42 ? 3 A 5 +ATOM 38 H HD21 . LEU A 1 3 ? -0.633 1.59 -2.494 1.0 23.33 ? 3 A 5 +ATOM 39 H HD22 . LEU A 1 3 ? -1.797 2.275 -1.359 1.0 1.01 ? 3 A 5 +ATOM 40 H HD23 . LEU A 1 3 ? -1.529 3.049 -2.921 1.0 75.24 ? 3 A 5 +ATOM 41 N N . GLY A 1 4 ? -3.985 3.617 -5.987 1.0 4.21 ? 4 A 5 +ATOM 42 C CA . GLY A 1 4 ? -3.901 4.738 -6.905 1.0 43.34 ? 4 A 5 +ATOM 43 C C . GLY A 1 4 ? -5.136 4.87 -7.774 1.0 32.24 ? 4 A 5 +ATOM 44 O O . GLY A 1 4 ? -6.26 4.721 -7.295 1.0 73.31 ? 4 A 5 +ATOM 45 H H . GLY A 1 4 ? -4.252 3.768 -5.056 1.0 2.13 ? 4 A 5 +ATOM 46 H HA2 . GLY A 1 4 ? -3.776 5.647 -6.335 1.0 53.5 ? 4 A 5 +ATOM 47 H HA3 . GLY A 1 4 ? -3.039 4.602 -7.542 1.0 61.41 ? 4 A 5 +ATOM 48 N N . SER A 1 5 ? -4.928 5.151 -9.056 1.0 14.33 ? 5 A 5 +ATOM 49 C CA . SER A 1 5 ? -6.033 5.309 -9.994 1.0 12.42 ? 5 A 5 +ATOM 50 C C . SER A 1 5 ? -6.923 6.482 -9.593 1.0 43.22 ? 5 A 5 +ATOM 51 O O . SER A 1 5 ? -6.816 7.004 -8.484 1.0 33.52 ? 5 A 5 +ATOM 52 C CB . SER A 1 5 ? -6.862 4.024 -10.058 1.0 72.02 ? 5 A 5 +ATOM 53 O OG . SER A 1 5 ? -6.824 3.457 -11.356 1.0 21.35 ? 5 A 5 +ATOM 54 H H . SER A 1 5 ? -4.008 5.258 -9.379 1.0 31.12 ? 5 A 5 +ATOM 55 H HA . SER A 1 5 ? -5.615 5.506 -10.97 1.0 12.32 ? 5 A 5 +ATOM 56 H HB2 . SER A 1 5 ? -6.467 3.308 -9.354 1.0 41.01 ? 5 A 5 +ATOM 57 H HB3 . SER A 1 5 ? -7.888 4.248 -9.806 1.0 74.13 ? 5 A 5 +ATOM 58 H HG . SER A 1 5 ? -7.695 3.124 -11.586 1.0 33.45 ? 5 A 5 +ATOM 59 N N . MET A 1 6 ? -7.8 6.89 -10.504 1.0 14.01 ? 6 A 5 +ATOM 60 C CA . MET A 1 6 ? -8.709 8.0 -10.246 1.0 54.33 ? 6 A 5 +ATOM 61 C C . MET A 1 6 ? -10.032 7.801 -10.978 1.0 31.44 ? 6 A 5 +ATOM 62 O O . MET A 1 6 ? -10.26 6.76 -11.593 1.0 1.11 ? 6 A 5 +ATOM 63 C CB . MET A 1 6 ? -8.069 9.322 -10.675 1.0 70.21 ? 6 A 5 +ATOM 64 C CG . MET A 1 6 ? -7.267 9.219 -11.962 1.0 25.05 ? 6 A 5 +ATOM 65 S SD . MET A 1 6 ? -5.524 8.865 -11.667 1.0 3.44 ? 6 A 5 +ATOM 66 C CE . MET A 1 6 ? -4.759 10.328 -12.363 1.0 13.21 ? 6 A 5 +ATOM 67 H H . MET A 1 6 ? -7.838 6.433 -11.371 1.0 2.32 ? 6 A 5 +ATOM 68 H HA . MET A 1 6 ? -8.9 8.031 -9.183 1.0 5.22 ? 6 A 5 +ATOM 69 H HB2 . MET A 1 6 ? -8.848 10.055 -10.819 1.0 62.43 ? 6 A 5 +ATOM 70 H HB3 . MET A 1 6 ? -7.408 9.66 -9.891 1.0 63.34 ? 6 A 5 +ATOM 71 H HG2 . MET A 1 6 ? -7.682 8.427 -12.567 1.0 33.13 ? 6 A 5 +ATOM 72 H HG3 . MET A 1 6 ? -7.346 10.155 -12.494 1.0 12.41 ? 6 A 5 +ATOM 73 H HE1 . MET A 1 6 ? -4.584 10.175 -13.418 1.0 12.23 ? 6 A 5 +ATOM 74 H HE2 . MET A 1 6 ? -5.414 11.176 -12.226 1.0 52.54 ? 6 A 5 +ATOM 75 H HE3 . MET A 1 6 ? -3.819 10.514 -11.865 1.0 2.41 ? 6 A 5 +ATOM 76 N N . GLN A 1 7 ? -10.9 8.805 -10.906 1.0 13.12 ? 7 A 5 +ATOM 77 C CA . GLN A 1 7 ? -12.201 8.738 -11.562 1.0 13.2 ? 7 A 5 +ATOM 78 C C . GLN A 1 7 ? -12.551 10.072 -12.213 1.0 42.42 ? 7 A 5 +ATOM 79 O O . GLN A 1 7 ? -12.021 11.116 -11.835 1.0 71.33 ? 7 A 5 +ATOM 80 C CB . GLN A 1 7 ? -13.284 8.349 -10.554 1.0 42.01 ? 7 A 5 +ATOM 81 C CG . GLN A 1 7 ? -12.85 7.264 -9.582 1.0 12.34 ? 7 A 5 +ATOM 82 C CD . GLN A 1 7 ? -13.875 7.01 -8.494 1.0 44.31 ? 7 A 5 +ATOM 83 O OE1 . GLN A 1 7 ? -15.08 7.103 -8.728 1.0 33.44 ? 7 A 5 +ATOM 84 N NE2 . GLN A 1 7 ? -13.401 6.687 -7.297 1.0 73.32 ? 7 A 5 +ATOM 85 H H . GLN A 1 7 ? -10.661 9.609 -10.4 1.0 71.21 ? 7 A 5 +ATOM 86 H HA . GLN A 1 7 ? -12.147 7.98 -12.328 1.0 62.03 ? 7 A 5 +ATOM 87 H HB2 . GLN A 1 7 ? -13.56 9.224 -9.984 1.0 13.25 ? 7 A 5 +ATOM 88 H HB3 . GLN A 1 7 ? -14.149 7.993 -11.093 1.0 41.42 ? 7 A 5 +ATOM 89 H HG2 . GLN A 1 7 ? -12.696 6.347 -10.131 1.0 43.33 ? 7 A 5 +ATOM 90 H HG3 . GLN A 1 7 ? -11.922 7.565 -9.118 1.0 33.21 ? 7 A 5 +ATOM 91 H HE21 . GLN A 1 7 ? -12.428 6.634 -7.184 1.0 52.01 ? 7 A 5 +ATOM 92 H HE22 . GLN A 1 7 ? -14.041 6.519 -6.576 1.0 55.43 ? 7 A 5 +ATOM 93 N N . ILE A 1 8 ? -13.447 10.028 -13.194 1.0 12.12 ? 8 A 5 +ATOM 94 C CA . ILE A 1 8 ? -13.868 11.233 -13.897 1.0 64.2 ? 8 A 5 +ATOM 95 C C . ILE A 1 8 ? -15.388 11.334 -13.954 1.0 0.33 ? 8 A 5 +ATOM 96 O O . ILE A 1 8 ? -16.093 10.334 -13.818 1.0 11.35 ? 8 A 5 +ATOM 97 C CB . ILE A 1 8 ? -13.309 11.272 -15.332 1.0 65.34 ? 8 A 5 +ATOM 98 C CG1 . ILE A 1 8 ? -12.467 10.025 -15.609 1.0 72.33 ? 8 A 5 +ATOM 99 C CG2 . ILE A 1 8 ? -12.484 12.533 -15.545 1.0 55.24 ? 8 A 5 +ATOM 100 C CD1 . ILE A 1 8 ? -12.044 9.889 -17.055 1.0 11.02 ? 8 A 5 +ATOM 101 H H . ILE A 1 8 ? -13.834 9.165 -13.45 1.0 43.45 ? 8 A 5 +ATOM 102 H HA . ILE A 1 8 ? -13.48 12.086 -13.358 1.0 41.41 ? 8 A 5 +ATOM 103 H HB . ILE A 1 8 ? -14.141 11.295 -16.018 1.0 13.24 ? 8 A 5 +ATOM 104 H HG12 . ILE A 1 8 ? -11.573 10.06 -15.005 1.0 4.11 ? 8 A 5 +ATOM 105 H HG13 . ILE A 1 8 ? -13.04 9.148 -15.346 1.0 33.41 ? 8 A 5 +ATOM 106 H HG21 . ILE A 1 8 ? -11.753 12.358 -16.321 1.0 12.11 ? 8 A 5 +ATOM 107 H HG22 . ILE A 1 8 ? -13.134 13.342 -15.84 1.0 14.43 ? 8 A 5 +ATOM 108 H HG23 . ILE A 1 8 ? -11.979 12.793 -14.627 1.0 53.13 ? 8 A 5 +ATOM 109 H HD11 . ILE A 1 8 ? -10.984 9.684 -17.102 1.0 4.51 ? 8 A 5 +ATOM 110 H HD12 . ILE A 1 8 ? -12.588 9.077 -17.514 1.0 22.53 ? 8 A 5 +ATOM 111 H HD13 . ILE A 1 8 ? -12.256 10.809 -17.58 1.0 32.23 ? 8 A 5 +ATOM 112 N N . PHE A 1 9 ? -15.888 12.549 -14.155 1.0 44.42 ? 9 A 5 +ATOM 113 C CA . PHE A 1 9 ? -17.326 12.781 -14.231 1.0 45.42 ? 9 A 5 +ATOM 114 C C . PHE A 1 9 ? -17.737 13.193 -15.641 1.0 62.05 ? 9 A 5 +ATOM 115 O O . PHE A 1 9 ? -17.195 14.144 -16.205 1.0 33.13 ? 9 A 5 +ATOM 116 C CB . PHE A 1 9 ? -17.742 13.861 -13.23 1.0 42.3 ? 9 A 5 +ATOM 117 C CG . PHE A 1 9 ? -18.346 13.31 -11.97 1.0 44.44 ? 9 A 5 +ATOM 118 C CD1 . PHE A 1 9 ? -19.615 12.753 -11.981 1.0 24.21 ? 9 A 5 +ATOM 119 C CD2 . PHE A 1 9 ? -17.646 13.349 -10.775 1.0 24.11 ? 9 A 5 +ATOM 120 C CE1 . PHE A 1 9 ? -20.174 12.244 -10.823 1.0 54.33 ? 9 A 5 +ATOM 121 C CE2 . PHE A 1 9 ? -18.2 12.842 -9.615 1.0 62.43 ? 9 A 5 +ATOM 122 C CZ . PHE A 1 9 ? -19.466 12.29 -9.639 1.0 72.21 ? 9 A 5 +ATOM 123 H H . PHE A 1 9 ? -15.275 13.307 -14.256 1.0 15.35 ? 9 A 5 +ATOM 124 H HA . PHE A 1 9 ? -17.823 11.858 -13.979 1.0 72.15 ? 9 A 5 +ATOM 125 H HB2 . PHE A 1 9 ? -16.874 14.441 -12.954 1.0 13.22 ? 9 A 5 +ATOM 126 H HB3 . PHE A 1 9 ? -18.471 14.509 -13.693 1.0 20.44 ? 9 A 5 +ATOM 127 H HD1 . PHE A 1 9 ? -20.171 12.717 -12.907 1.0 63.23 ? 9 A 5 +ATOM 128 H HD2 . PHE A 1 9 ? -16.656 13.781 -10.755 1.0 43.5 ? 9 A 5 +ATOM 129 H HE1 . PHE A 1 9 ? -21.164 11.814 -10.846 1.0 53.21 ? 9 A 5 +ATOM 130 H HE2 . PHE A 1 9 ? -17.644 12.879 -8.69 1.0 61.25 ? 9 A 5 +ATOM 131 H HZ . PHE A 1 9 ? -19.9 11.892 -8.733 1.0 11.33 ? 9 A 5 +ATOM 132 N N . VAL A 1 10 ? -18.7 12.471 -16.205 1.0 35.51 ? 10 A 5 +ATOM 133 C CA . VAL A 1 10 ? -19.185 12.76 -17.549 1.0 51.35 ? 10 A 5 +ATOM 134 C C . VAL A 1 10 ? -20.647 13.191 -17.524 1.0 20.3 ? 10 A 5 +ATOM 135 O O . VAL A 1 10 ? -21.5 12.502 -16.964 1.0 33.54 ? 10 A 5 +ATOM 136 C CB . VAL A 1 10 ? -19.037 11.538 -18.475 1.0 1.24 ? 10 A 5 +ATOM 137 C CG1 . VAL A 1 10 ? -19.034 11.97 -19.933 1.0 43.55 ? 10 A 5 +ATOM 138 C CG2 . VAL A 1 10 ? -17.772 10.764 -18.136 1.0 70.41 ? 10 A 5 +ATOM 139 H H . VAL A 1 10 ? -19.093 11.726 -15.705 1.0 13.11 ? 10 A 5 +ATOM 140 H HA . VAL A 1 10 ? -18.589 13.566 -17.953 1.0 52.2 ? 10 A 5 +ATOM 141 H HB . VAL A 1 10 ? -19.885 10.888 -18.317 1.0 21.21 ? 10 A 5 +ATOM 142 H HG11 . VAL A 1 10 ? -20.023 12.3 -20.213 1.0 75.22 ? 10 A 5 +ATOM 143 H HG12 . VAL A 1 10 ? -18.331 12.78 -20.068 1.0 54.41 ? 10 A 5 +ATOM 144 H HG13 . VAL A 1 10 ? -18.745 11.135 -20.555 1.0 61.31 ? 10 A 5 +ATOM 145 H HG21 . VAL A 1 10 ? -16.936 11.446 -18.081 1.0 13.24 ? 10 A 5 +ATOM 146 H HG22 . VAL A 1 10 ? -17.897 10.269 -17.185 1.0 62.44 ? 10 A 5 +ATOM 147 H HG23 . VAL A 1 10 ? -17.584 10.027 -18.904 1.0 2.35 ? 10 A 5 +ATOM 148 N N . LYS A 1 11 ? -20.931 14.336 -18.136 1.0 23.3 ? 11 A 5 +ATOM 149 C CA . LYS A 1 11 ? -22.291 14.86 -18.187 1.0 10.31 ? 11 A 5 +ATOM 150 C C . LYS A 1 11 ? -22.886 14.695 -19.582 1.0 22.12 ? 11 A 5 +ATOM 151 O O . LYS A 1 11 ? -22.432 15.322 -20.54 1.0 63.21 ? 11 A 5 +ATOM 152 C CB . LYS A 1 11 ? -22.305 16.337 -17.786 1.0 34.41 ? 11 A 5 +ATOM 153 C CG . LYS A 1 11 ? -23.622 17.035 -18.083 1.0 63.11 ? 11 A 5 +ATOM 154 C CD . LYS A 1 11 ? -23.578 18.5 -17.684 1.0 3.15 ? 11 A 5 +ATOM 155 C CE . LYS A 1 11 ? -23.18 19.385 -18.855 1.0 2.52 ? 11 A 5 +ATOM 156 N NZ . LYS A 1 11 ? -23.337 20.831 -18.535 1.0 51.12 ? 11 A 5 +ATOM 157 H H . LYS A 1 11 ? -20.208 14.841 -18.565 1.0 4.15 ? 11 A 5 +ATOM 158 H HA . LYS A 1 11 ? -22.889 14.299 -17.485 1.0 44.21 ? 11 A 5 +ATOM 159 H HB2 . LYS A 1 11 ? -22.113 16.412 -16.726 1.0 75.01 ? 11 A 5 +ATOM 160 H HB3 . LYS A 1 11 ? -21.521 16.851 -18.323 1.0 15.43 ? 11 A 5 +ATOM 161 H HG2 . LYS A 1 11 ? -23.824 16.967 -19.141 1.0 73.24 ? 11 A 5 +ATOM 162 H HG3 . LYS A 1 11 ? -24.411 16.544 -17.531 1.0 30.03 ? 11 A 5 +ATOM 163 H HD2 . LYS A 1 11 ? -24.557 18.799 -17.338 1.0 63.51 ? 11 A 5 +ATOM 164 H HD3 . LYS A 1 11 ? -22.859 18.626 -16.887 1.0 61.22 ? 11 A 5 +ATOM 165 H HE2 . LYS A 1 11 ? -22.148 19.19 -19.102 1.0 70.24 ? 11 A 5 +ATOM 166 H HE3 . LYS A 1 11 ? -23.805 19.142 -19.701 1.0 3.13 ? 11 A 5 +ATOM 167 H HZ1 . LYS A 1 11 ? -23.966 21.284 -19.228 1.0 1.34 ? 11 A 5 +ATOM 168 H HZ2 . LYS A 1 11 ? -22.411 21.305 -18.561 1.0 61.44 ? 11 A 5 +ATOM 169 H HZ3 . LYS A 1 11 ? -23.745 20.945 -17.586 1.0 12.11 ? 11 A 5 +ATOM 170 N N . THR A 1 12 ? -23.905 13.848 -19.689 1.0 60.33 ? 12 A 5 +ATOM 171 C CA . THR A 1 12 ? -24.562 13.601 -20.967 1.0 63.11 ? 12 A 5 +ATOM 172 C C . THR A 1 12 ? -25.429 14.786 -21.377 1.0 63.2 ? 12 A 5 +ATOM 173 O O . THR A 1 12 ? -25.79 15.622 -20.547 1.0 23.14 ? 12 A 5 +ATOM 174 C CB . THR A 1 12 ? -25.436 12.334 -20.913 1.0 13.53 ? 12 A 5 +ATOM 175 O OG1 . THR A 1 12 ? -26.489 12.505 -19.957 1.0 44.22 ? 12 A 5 +ATOM 176 C CG2 . THR A 1 12 ? -24.602 11.117 -20.544 1.0 44.25 ? 12 A 5 +ATOM 177 H H . THR A 1 12 ? -24.221 13.379 -18.889 1.0 50.31 ? 12 A 5 +ATOM 178 H HA . THR A 1 12 ? -23.796 13.453 -21.713 1.0 15.31 ? 12 A 5 +ATOM 179 H HB . THR A 1 12 ? -25.87 12.173 -21.889 1.0 3.11 ? 12 A 5 +ATOM 180 H HG1 . THR A 1 12 ? -27.121 11.787 -20.044 1.0 54.01 ? 12 A 5 +ATOM 181 H HG21 . THR A 1 12 ? -23.687 11.438 -20.071 1.0 54.24 ? 12 A 5 +ATOM 182 H HG22 . THR A 1 12 ? -24.369 10.556 -21.437 1.0 51.32 ? 12 A 5 +ATOM 183 H HG23 . THR A 1 12 ? -25.16 10.492 -19.862 1.0 74.05 ? 12 A 5 +ATOM 184 N N . LEU A 1 13 ? -25.763 14.852 -22.661 1.0 74.21 ? 13 A 5 +ATOM 185 C CA . LEU A 1 13 ? -26.589 15.936 -23.182 1.0 74.52 ? 13 A 5 +ATOM 186 C C . LEU A 1 13 ? -27.943 15.974 -22.479 1.0 25.21 ? 13 A 5 +ATOM 187 O O . LEU A 1 13 ? -28.638 16.991 -22.501 1.0 11.35 ? 13 A 5 +ATOM 188 C CB . LEU A 1 13 ? -26.789 15.771 -24.69 1.0 31.51 ? 13 A 5 +ATOM 189 C CG . LEU A 1 13 ? -27.448 16.947 -25.411 1.0 30.32 ? 13 A 5 +ATOM 190 C CD1 . LEU A 1 13 ? -26.578 18.19 -25.312 1.0 44.31 ? 13 A 5 +ATOM 191 C CD2 . LEU A 1 13 ? -27.716 16.597 -26.868 1.0 64.01 ? 13 A 5 +ATOM 192 H H . LEU A 1 13 ? -25.446 14.157 -23.274 1.0 42.02 ? 13 A 5 +ATOM 193 H HA . LEU A 1 13 ? -26.073 16.866 -22.995 1.0 34.1 ? 13 A 5 +ATOM 194 H HB2 . LEU A 1 13 ? -25.82 15.611 -25.136 1.0 62.11 ? 13 A 5 +ATOM 195 H HB3 . LEU A 1 13 ? -27.406 14.898 -24.847 1.0 43.21 ? 13 A 5 +ATOM 196 H HG . LEU A 1 13 ? -28.396 17.166 -24.939 1.0 45.4 ? 13 A 5 +ATOM 197 H HD11 . LEU A 1 13 ? -26.656 18.759 -26.226 1.0 62.23 ? 13 A 5 +ATOM 198 H HD12 . LEU A 1 13 ? -25.55 17.898 -25.156 1.0 23.44 ? 13 A 5 +ATOM 199 H HD13 . LEU A 1 13 ? -26.909 18.796 -24.481 1.0 25.55 ? 13 A 5 +ATOM 200 H HD21 . LEU A 1 13 ? -28.554 17.175 -27.229 1.0 62.14 ? 13 A 5 +ATOM 201 H HD22 . LEU A 1 13 ? -27.943 15.544 -26.948 1.0 41.34 ? 13 A 5 +ATOM 202 H HD23 . LEU A 1 13 ? -26.84 16.822 -27.459 1.0 51.42 ? 13 A 5 +ATOM 203 N N . THR A 1 14 ? -28.311 14.86 -21.853 1.0 31.41 ? 14 A 5 +ATOM 204 C CA . THR A 1 14 ? -29.58 14.767 -21.143 1.0 30.33 ? 14 A 5 +ATOM 205 C C . THR A 1 14 ? -29.427 15.189 -19.686 1.0 22.13 ? 14 A 5 +ATOM 206 O O . THR A 1 14 ? -30.345 15.028 -18.883 1.0 5.31 ? 14 A 5 +ATOM 207 C CB . THR A 1 14 ? -30.148 13.336 -21.194 1.0 34.54 ? 14 A 5 +ATOM 208 O OG1 . THR A 1 14 ? -29.141 12.395 -20.803 1.0 3.22 ? 14 A 5 +ATOM 209 C CG2 . THR A 1 14 ? -30.647 13.001 -22.591 1.0 34.11 ? 14 A 5 +ATOM 210 H H . THR A 1 14 ? -27.714 14.084 -21.872 1.0 2.31 ? 14 A 5 +ATOM 211 H HA . THR A 1 14 ? -30.283 15.428 -21.628 1.0 25.44 ? 14 A 5 +ATOM 212 H HB . THR A 1 14 ? -30.978 13.27 -20.505 1.0 55.24 ? 14 A 5 +ATOM 213 H HG1 . THR A 1 14 ? -29.257 12.168 -19.878 1.0 24.42 ? 14 A 5 +ATOM 214 H HG21 . THR A 1 14 ? -31.192 13.844 -22.99 1.0 1.02 ? 14 A 5 +ATOM 215 H HG22 . THR A 1 14 ? -31.299 12.141 -22.544 1.0 12.23 ? 14 A 5 +ATOM 216 H HG23 . THR A 1 14 ? -29.806 12.781 -23.231 1.0 12.42 ? 14 A 5 +ATOM 217 N N . GLY A 1 15 ? -28.26 15.732 -19.351 1.0 61.2 ? 15 A 5 +ATOM 218 C CA . GLY A 1 15 ? -28.008 16.169 -17.991 1.0 25.44 ? 15 A 5 +ATOM 219 C C . GLY A 1 15 ? -27.898 15.01 -17.02 1.0 2.34 ? 15 A 5 +ATOM 220 O O . GLY A 1 15 ? -28.627 14.949 -16.029 1.0 24.03 ? 15 A 5 +ATOM 221 H H . GLY A 1 15 ? -27.564 15.835 -20.034 1.0 73.22 ? 15 A 5 +ATOM 222 H HA2 . GLY A 1 15 ? -27.087 16.732 -17.97 1.0 10.15 ? 15 A 5 +ATOM 223 H HA3 . GLY A 1 15 ? -28.818 16.811 -17.676 1.0 23.53 ? 15 A 5 +ATOM 224 N N . LYS A 1 16 ? -26.986 14.087 -17.304 1.0 11.21 ? 16 A 5 +ATOM 225 C CA . LYS A 1 16 ? -26.782 12.923 -16.45 1.0 34.13 ? 16 A 5 +ATOM 226 C C . LYS A 1 16 ? -25.337 12.848 -15.969 1.0 15.24 ? 16 A 5 +ATOM 227 O O . LYS A 1 16 ? -24.408 12.755 -16.772 1.0 50.04 ? 16 A 5 +ATOM 228 C CB . LYS A 1 16 ? -27.148 11.642 -17.202 1.0 31.42 ? 16 A 5 +ATOM 229 C CG . LYS A 1 16 ? -27.723 10.556 -16.31 1.0 73.35 ? 16 A 5 +ATOM 230 C CD . LYS A 1 16 ? -26.634 9.65 -15.762 1.0 50.3 ? 16 A 5 +ATOM 231 C CE . LYS A 1 16 ? -26.005 8.807 -16.86 1.0 52.44 ? 16 A 5 +ATOM 232 N NZ . LYS A 1 16 ? -26.393 7.373 -16.751 1.0 2.53 ? 16 A 5 +ATOM 233 H H . LYS A 1 16 ? -26.435 14.191 -18.109 1.0 52.54 ? 16 A 5 +ATOM 234 H HA . LYS A 1 16 ? -27.43 13.024 -15.592 1.0 34.34 ? 16 A 5 +ATOM 235 H HB2 . LYS A 1 16 ? -27.879 11.88 -17.961 1.0 44.24 ? 16 A 5 +ATOM 236 H HB3 . LYS A 1 16 ? -26.26 11.253 -17.68 1.0 12.13 ? 16 A 5 +ATOM 237 H HG2 . LYS A 1 16 ? -28.242 11.018 -15.483 1.0 3.41 ? 16 A 5 +ATOM 238 H HG3 . LYS A 1 16 ? -28.418 9.96 -16.885 1.0 74.14 ? 16 A 5 +ATOM 239 H HD2 . LYS A 1 16 ? -25.866 10.258 -15.307 1.0 63.23 ? 16 A 5 +ATOM 240 H HD3 . LYS A 1 16 ? -27.064 8.993 -15.018 1.0 14.51 ? 16 A 5 +ATOM 241 H HE2 . LYS A 1 16 ? -26.328 9.186 -17.817 1.0 44.12 ? 16 A 5 +ATOM 242 H HE3 . LYS A 1 16 ? -24.93 8.886 -16.786 1.0 75.31 ? 16 A 5 +ATOM 243 H HZ1 . LYS A 1 16 ? -26.096 6.856 -17.603 1.0 61.55 ? 16 A 5 +ATOM 244 H HZ2 . LYS A 1 16 ? -27.425 7.29 -16.65 1.0 23.15 ? 16 A 5 +ATOM 245 H HZ3 . LYS A 1 16 ? -25.94 6.942 -15.92 1.0 43.23 ? 16 A 5 +ATOM 246 N N . THR A 1 17 ? -25.153 12.887 -14.653 1.0 33.03 ? 17 A 5 +ATOM 247 C CA . THR A 1 17 ? -23.821 12.823 -14.065 1.0 61.21 ? 17 A 5 +ATOM 248 C C . THR A 1 17 ? -23.406 11.38 -13.798 1.0 13.11 ? 17 A 5 +ATOM 249 O O . THR A 1 17 ? -24.052 10.672 -13.025 1.0 32.24 ? 17 A 5 +ATOM 250 C CB . THR A 1 17 ? -23.749 13.617 -12.747 1.0 22.54 ? 17 A 5 +ATOM 251 O OG1 . THR A 1 17 ? -25.058 13.743 -12.179 1.0 24.32 ? 17 A 5 +ATOM 252 C CG2 . THR A 1 17 ? -23.157 14.999 -12.979 1.0 72.42 ? 17 A 5 +ATOM 253 H H . THR A 1 17 ? -25.933 12.962 -14.064 1.0 63.53 ? 17 A 5 +ATOM 254 H HA . THR A 1 17 ? -23.126 13.264 -14.765 1.0 15.15 ? 17 A 5 +ATOM 255 H HB . THR A 1 17 ? -23.115 13.081 -12.055 1.0 61.22 ? 17 A 5 +ATOM 256 H HG1 . THR A 1 17 ? -25.121 13.192 -11.395 1.0 54.0 ? 17 A 5 +ATOM 257 H HG21 . THR A 1 17 ? -22.149 15.028 -12.592 1.0 31.34 ? 17 A 5 +ATOM 258 H HG22 . THR A 1 17 ? -23.758 15.739 -12.472 1.0 12.24 ? 17 A 5 +ATOM 259 H HG23 . THR A 1 17 ? -23.142 15.211 -14.038 1.0 74.01 ? 17 A 5 +ATOM 260 N N . ILE A 1 18 ? -22.326 10.951 -14.443 1.0 21.15 ? 18 A 5 +ATOM 261 C CA . ILE A 1 18 ? -21.826 9.593 -14.273 1.0 42.23 ? 18 A 5 +ATOM 262 C C . ILE A 1 18 ? -20.361 9.596 -13.85 1.0 2.02 ? 18 A 5 +ATOM 263 O O . ILE A 1 18 ? -19.573 10.428 -14.303 1.0 34.24 ? 18 A 5 +ATOM 264 C CB . ILE A 1 18 ? -21.972 8.773 -15.569 1.0 20.13 ? 18 A 5 +ATOM 265 C CG1 . ILE A 1 18 ? -21.212 7.451 -15.45 1.0 0.43 ? 18 A 5 +ATOM 266 C CG2 . ILE A 1 18 ? -21.471 9.573 -16.762 1.0 34.34 ? 18 A 5 +ATOM 267 C CD1 . ILE A 1 18 ? -21.452 6.51 -16.609 1.0 41.12 ? 18 A 5 +ATOM 268 H H . ILE A 1 18 ? -21.855 11.563 -15.046 1.0 72.35 ? 18 A 5 +ATOM 269 H HA . ILE A 1 18 ? -22.411 9.116 -13.501 1.0 33.1 ? 18 A 5 +ATOM 270 H HB . ILE A 1 18 ? -23.02 8.565 -15.72 1.0 55.23 ? 18 A 5 +ATOM 271 H HG12 . ILE A 1 18 ? -20.154 7.654 -15.402 1.0 35.45 ? 18 A 5 +ATOM 272 H HG13 . ILE A 1 18 ? -21.519 6.948 -14.544 1.0 15.51 ? 18 A 5 +ATOM 273 H HG21 . ILE A 1 18 ? -22.204 10.322 -17.026 1.0 31.24 ? 18 A 5 +ATOM 274 H HG22 . ILE A 1 18 ? -20.541 10.057 -16.505 1.0 60.32 ? 18 A 5 +ATOM 275 H HG23 . ILE A 1 18 ? -21.314 8.911 -17.599 1.0 71.44 ? 18 A 5 +ATOM 276 H HD11 . ILE A 1 18 ? -21.975 7.034 -17.396 1.0 32.31 ? 18 A 5 +ATOM 277 H HD12 . ILE A 1 18 ? -20.505 6.151 -16.985 1.0 60.24 ? 18 A 5 +ATOM 278 H HD13 . ILE A 1 18 ? -22.048 5.673 -16.277 1.0 25.35 ? 18 A 5 +ATOM 279 N N . THR A 1 19 ? -20.0 8.659 -12.979 1.0 42.32 ? 19 A 5 +ATOM 280 C CA . THR A 1 19 ? -18.629 8.552 -12.495 1.0 41.24 ? 19 A 5 +ATOM 281 C C . THR A 1 19 ? -17.974 7.264 -12.978 1.0 70.21 ? 19 A 5 +ATOM 282 O O . THR A 1 19 ? -18.594 6.2 -12.97 1.0 44.42 ? 19 A 5 +ATOM 283 C CB . THR A 1 19 ? -18.572 8.598 -10.956 1.0 2.4 ? 19 A 5 +ATOM 284 O OG1 . THR A 1 19 ? -19.813 9.087 -10.434 1.0 22.32 ? 19 A 5 +ATOM 285 C CG2 . THR A 1 19 ? -17.432 9.487 -10.483 1.0 13.14 ? 19 A 5 +ATOM 286 H H . THR A 1 19 ? -20.673 8.025 -12.655 1.0 1.15 ? 19 A 5 +ATOM 287 H HA . THR A 1 19 ? -18.073 9.395 -12.88 1.0 65.43 ? 19 A 5 +ATOM 288 H HB . THR A 1 19 ? -18.405 7.596 -10.587 1.0 44.24 ? 19 A 5 +ATOM 289 H HG1 . THR A 1 19 ? -19.991 8.668 -9.588 1.0 60.25 ? 19 A 5 +ATOM 290 H HG21 . THR A 1 19 ? -17.631 9.821 -9.476 1.0 73.33 ? 19 A 5 +ATOM 291 H HG22 . THR A 1 19 ? -17.348 10.343 -11.136 1.0 23.45 ? 19 A 5 +ATOM 292 H HG23 . THR A 1 19 ? -16.508 8.928 -10.501 1.0 51.03 ? 19 A 5 +ATOM 293 N N . ILE A 1 20 ? -16.717 7.366 -13.398 1.0 2.13 ? 20 A 5 +ATOM 294 C CA . ILE A 1 20 ? -15.978 6.208 -13.883 1.0 23.24 ? 20 A 5 +ATOM 295 C C . ILE A 1 20 ? -14.516 6.268 -13.452 1.0 21.51 ? 20 A 5 +ATOM 296 O O . ILE A 1 20 ? -13.856 7.296 -13.604 1.0 3.54 ? 20 A 5 +ATOM 297 C CB . ILE A 1 20 ? -16.044 6.099 -15.418 1.0 55.55 ? 20 A 5 +ATOM 298 C CG1 . ILE A 1 20 ? -16.023 7.492 -16.05 1.0 1.5 ? 20 A 5 +ATOM 299 C CG2 . ILE A 1 20 ? -17.292 5.338 -15.841 1.0 1.32 ? 20 A 5 +ATOM 300 C CD1 . ILE A 1 20 ? -15.282 7.547 -17.368 1.0 2.4 ? 20 A 5 +ATOM 301 H H . ILE A 1 20 ? -16.277 8.241 -13.38 1.0 32.52 ? 20 A 5 +ATOM 302 H HA . ILE A 1 20 ? -16.43 5.322 -13.459 1.0 40.32 ? 20 A 5 +ATOM 303 H HB . ILE A 1 20 ? -15.182 5.545 -15.755 1.0 75.22 ? 20 A 5 +ATOM 304 H HG12 . ILE A 1 20 ? -17.037 7.816 -16.227 1.0 4.24 ? 20 A 5 +ATOM 305 H HG13 . ILE A 1 20 ? -15.543 8.181 -15.37 1.0 20.02 ? 20 A 5 +ATOM 306 H HG21 . ILE A 1 20 ? -17.127 4.887 -16.808 1.0 41.11 ? 20 A 5 +ATOM 307 H HG22 . ILE A 1 20 ? -17.506 4.567 -15.117 1.0 51.34 ? 20 A 5 +ATOM 308 H HG23 . ILE A 1 20 ? -18.127 6.02 -15.9 1.0 74.34 ? 20 A 5 +ATOM 309 H HD11 . ILE A 1 20 ? -15.586 8.427 -17.916 1.0 44.23 ? 20 A 5 +ATOM 310 H HD12 . ILE A 1 20 ? -14.219 7.589 -17.181 1.0 43.31 ? 20 A 5 +ATOM 311 H HD13 . ILE A 1 20 ? -15.512 6.666 -17.947 1.0 23.14 ? 20 A 5 +ATOM 312 N N . ASP A 1 21 ? -14.017 5.161 -12.915 1.0 44.41 ? 21 A 5 +ATOM 313 C CA . ASP A 1 21 ? -12.632 5.086 -12.464 1.0 13.43 ? 21 A 5 +ATOM 314 C C . ASP A 1 21 ? -11.697 4.784 -13.631 1.0 74.52 ? 21 A 5 +ATOM 315 O O . ASP A 1 21 ? -11.847 3.771 -14.314 1.0 3.25 ? 21 A 5 +ATOM 316 C CB . ASP A 1 21 ? -12.482 4.015 -11.383 1.0 40.32 ? 21 A 5 +ATOM 317 C CG . ASP A 1 21 ? -12.784 2.623 -11.902 1.0 70.32 ? 21 A 5 +ATOM 318 O OD1 . ASP A 1 21 ? -13.973 2.324 -12.144 1.0 34.41 ? 21 A 5 +ATOM 319 O OD2 . ASP A 1 21 ? -11.832 1.832 -12.066 1.0 4.34 ? 21 A 5 +ATOM 320 H H . ASP A 1 21 ? -14.594 4.374 -12.82 1.0 61.24 ? 21 A 5 +ATOM 321 H HA . ASP A 1 21 ? -12.367 6.046 -12.047 1.0 0.1 ? 21 A 5 +ATOM 322 H HB2 . ASP A 1 21 ? -11.468 4.028 -11.011 1.0 73.15 ? 21 A 5 +ATOM 323 H HB3 . ASP A 1 21 ? -13.161 4.233 -10.572 1.0 61.23 ? 21 A 5 +ATOM 324 N N . VAL A 1 22 ? -10.731 5.67 -13.853 1.0 30.34 ? 22 A 5 +ATOM 325 C CA . VAL A 1 22 ? -9.771 5.498 -14.937 1.0 1.34 ? 22 A 5 +ATOM 326 C C . VAL A 1 22 ? -8.349 5.773 -14.46 1.0 61.2 ? 22 A 5 +ATOM 327 O O . VAL A 1 22 ? -8.142 6.372 -13.405 1.0 34.03 ? 22 A 5 +ATOM 328 C CB . VAL A 1 22 ? -10.091 6.426 -16.124 1.0 60.13 ? 22 A 5 +ATOM 329 C CG1 . VAL A 1 22 ? -11.551 6.854 -16.088 1.0 14.0 ? 22 A 5 +ATOM 330 C CG2 . VAL A 1 22 ? -9.172 7.638 -16.115 1.0 61.12 ? 22 A 5 +ATOM 331 H H . VAL A 1 22 ? -10.662 6.457 -13.275 1.0 71.0 ? 22 A 5 +ATOM 332 H HA . VAL A 1 22 ? -9.834 4.475 -15.28 1.0 41.13 ? 22 A 5 +ATOM 333 H HB . VAL A 1 22 ? -9.922 5.879 -17.039 1.0 23.42 ? 22 A 5 +ATOM 334 H HG11 . VAL A 1 22 ? -11.814 7.313 -17.03 1.0 3.13 ? 22 A 5 +ATOM 335 H HG12 . VAL A 1 22 ? -12.176 5.989 -15.921 1.0 11.12 ? 22 A 5 +ATOM 336 H HG13 . VAL A 1 22 ? -11.698 7.565 -15.289 1.0 2.3 ? 22 A 5 +ATOM 337 H HG21 . VAL A 1 22 ? -9.15 8.067 -15.124 1.0 43.3 ? 22 A 5 +ATOM 338 H HG22 . VAL A 1 22 ? -8.175 7.335 -16.398 1.0 71.52 ? 22 A 5 +ATOM 339 H HG23 . VAL A 1 22 ? -9.538 8.374 -16.816 1.0 24.41 ? 22 A 5 +ATOM 340 N N . ASP A 1 23 ? -7.372 5.332 -15.246 1.0 73.14 ? 23 A 5 +ATOM 341 C CA . ASP A 1 23 ? -5.968 5.532 -14.905 1.0 0.33 ? 23 A 5 +ATOM 342 C C . ASP A 1 23 ? -5.293 6.464 -15.907 1.0 62.12 ? 23 A 5 +ATOM 343 O O . ASP A 1 23 ? -5.705 6.55 -17.064 1.0 35.34 ? 23 A 5 +ATOM 344 C CB . ASP A 1 23 ? -5.236 4.19 -14.863 1.0 24.44 ? 23 A 5 +ATOM 345 C CG . ASP A 1 23 ? -4.508 3.968 -13.552 1.0 11.25 ? 23 A 5 +ATOM 346 O OD1 . ASP A 1 23 ? -4.01 4.958 -12.975 1.0 71.52 ? 23 A 5 +ATOM 347 O OD2 . ASP A 1 23 ? -4.436 2.805 -13.102 1.0 54.12 ? 23 A 5 +ATOM 348 H H . ASP A 1 23 ? -7.601 4.862 -16.075 1.0 71.31 ? 23 A 5 +ATOM 349 H HA . ASP A 1 23 ? -5.926 5.985 -13.926 1.0 62.03 ? 23 A 5 +ATOM 350 H HB2 . ASP A 1 23 ? -5.952 3.392 -14.996 1.0 75.32 ? 23 A 5 +ATOM 351 H HB3 . ASP A 1 23 ? -4.513 4.157 -15.665 1.0 32.1 ? 23 A 5 +ATOM 352 N N . HIS A 1 24 ? -4.255 7.16 -15.454 1.0 3.42 ? 24 A 5 +ATOM 353 C CA . HIS A 1 24 ? -3.523 8.086 -16.311 1.0 64.1 ? 24 A 5 +ATOM 354 C C . HIS A 1 24 ? -2.907 7.354 -17.499 1.0 13.22 ? 24 A 5 +ATOM 355 O O . HIS A 1 24 ? -2.499 7.976 -18.48 1.0 40.32 ? 24 A 5 +ATOM 356 C CB . HIS A 1 24 ? -2.431 8.797 -15.512 1.0 43.52 ? 24 A 5 +ATOM 357 C CG . HIS A 1 24 ? -1.423 7.865 -14.913 1.0 63.23 ? 24 A 5 +ATOM 358 N ND1 . HIS A 1 24 ? -0.168 7.667 -15.448 1.0 33.23 ? 24 A 5 +ATOM 359 C CD2 . HIS A 1 24 ? -1.491 7.074 -13.816 1.0 70.35 ? 24 A 5 +ATOM 360 C CE1 . HIS A 1 24 ? 0.492 6.795 -14.708 1.0 52.22 ? 24 A 5 +ATOM 361 N NE2 . HIS A 1 24 ? -0.289 6.42 -13.711 1.0 51.1 ? 24 A 5 +ATOM 362 H H . HIS A 1 24 ? -3.975 7.047 -14.522 1.0 35.01 ? 24 A 5 +ATOM 363 H HA . HIS A 1 24 ? -4.223 8.82 -16.68 1.0 52.33 ? 24 A 5 +ATOM 364 H HB2 . HIS A 1 24 ? -1.904 9.479 -16.164 1.0 74.33 ? 24 A 5 +ATOM 365 H HB3 . HIS A 1 24 ? -2.887 9.355 -14.708 1.0 2.24 ? 24 A 5 +ATOM 366 H HD1 . HIS A 1 24 ? 0.186 8.101 -16.252 1.0 61.24 ? 24 A 5 +ATOM 367 H HD2 . HIS A 1 24 ? -2.335 6.976 -13.147 1.0 14.35 ? 24 A 5 +ATOM 368 H HE1 . HIS A 1 24 ? 1.498 6.447 -14.887 1.0 73.24 ? 24 A 5 +ATOM 369 N N . ALA A 1 25 ? -2.841 6.03 -17.404 1.0 63.43 ? 25 A 5 +ATOM 370 C CA . ALA A 1 25 ? -2.276 5.214 -18.471 1.0 43.32 ? 25 A 5 +ATOM 371 C C . ALA A 1 25 ? -3.331 4.872 -19.518 1.0 33.54 ? 25 A 5 +ATOM 372 O O . ALA A 1 25 ? -3.081 4.083 -20.43 1.0 12.23 ? 25 A 5 +ATOM 373 C CB . ALA A 1 25 ? -1.666 3.944 -17.898 1.0 51.34 ? 25 A 5 +ATOM 374 H H . ALA A 1 25 ? -3.183 5.592 -16.597 1.0 55.41 ? 25 A 5 +ATOM 375 H HA . ALA A 1 25 ? -1.487 5.782 -18.943 1.0 23.12 ? 25 A 5 +ATOM 376 H HB1 . ALA A 1 25 ? -1.372 3.29 -18.706 1.0 42.21 ? 25 A 5 +ATOM 377 H HB2 . ALA A 1 25 ? -0.8 4.196 -17.305 1.0 3.14 ? 25 A 5 +ATOM 378 H HB3 . ALA A 1 25 ? -2.394 3.444 -17.278 1.0 44.44 ? 25 A 5 +ATOM 379 N N . ASP A 1 26 ? -4.51 5.468 -19.38 1.0 53.31 ? 26 A 5 +ATOM 380 C CA . ASP A 1 26 ? -5.603 5.225 -20.314 1.0 71.32 ? 26 A 5 +ATOM 381 C C . ASP A 1 26 ? -5.715 6.361 -21.326 1.0 31.24 ? 26 A 5 +ATOM 382 O O . ASP A 1 26 ? -4.818 7.197 -21.44 1.0 53.43 ? 26 A 5 +ATOM 383 C CB . ASP A 1 26 ? -6.923 5.068 -19.558 1.0 21.1 ? 26 A 5 +ATOM 384 C CG . ASP A 1 26 ? -6.841 4.024 -18.461 1.0 73.54 ? 26 A 5 +ATOM 385 O OD1 . ASP A 1 26 ? -5.85 3.264 -18.438 1.0 73.22 ? 26 A 5 +ATOM 386 O OD2 . ASP A 1 26 ? -7.767 3.968 -17.625 1.0 2.02 ? 26 A 5 +ATOM 387 H H . ASP A 1 26 ? -4.648 6.086 -18.632 1.0 73.33 ? 26 A 5 +ATOM 388 H HA . ASP A 1 26 ? -5.39 4.309 -20.843 1.0 35.3 ? 26 A 5 +ATOM 389 H HB2 . ASP A 1 26 ? -7.189 6.014 -19.109 1.0 71.15 ? 26 A 5 +ATOM 390 H HB3 . ASP A 1 26 ? -7.696 4.774 -20.253 1.0 51.4 ? 26 A 5 +ATOM 391 N N . THR A 1 27 ? -6.823 6.386 -22.06 1.0 11.22 ? 27 A 5 +ATOM 392 C CA . THR A 1 27 ? -7.052 7.417 -23.064 1.0 12.11 ? 27 A 5 +ATOM 393 C C . THR A 1 27 ? -8.534 7.75 -23.183 1.0 24.55 ? 27 A 5 +ATOM 394 O O . THR A 1 27 ? -9.388 7.013 -22.69 1.0 14.34 ? 27 A 5 +ATOM 395 C CB . THR A 1 27 ? -6.522 6.985 -24.445 1.0 24.42 ? 27 A 5 +ATOM 396 O OG1 . THR A 1 27 ? -6.535 5.557 -24.549 1.0 51.41 ? 27 A 5 +ATOM 397 C CG2 . THR A 1 27 ? -5.109 7.502 -24.669 1.0 72.22 ? 27 A 5 +ATOM 398 H H . THR A 1 27 ? -7.501 5.692 -21.923 1.0 1.33 ? 27 A 5 +ATOM 399 H HA . THR A 1 27 ? -6.517 8.305 -22.759 1.0 54.42 ? 27 A 5 +ATOM 400 H HB . THR A 1 27 ? -7.166 7.4 -25.207 1.0 51.23 ? 27 A 5 +ATOM 401 H HG1 . THR A 1 27 ? -7.23 5.201 -23.991 1.0 23.44 ? 27 A 5 +ATOM 402 H HG21 . THR A 1 27 ? -4.739 7.14 -25.616 1.0 20.21 ? 27 A 5 +ATOM 403 H HG22 . THR A 1 27 ? -4.467 7.152 -23.874 1.0 40.31 ? 27 A 5 +ATOM 404 H HG23 . THR A 1 27 ? -5.118 8.582 -24.674 1.0 53.14 ? 27 A 5 +ATOM 405 N N . VAL A 1 28 ? -8.835 8.865 -23.842 1.0 70.04 ? 28 A 5 +ATOM 406 C CA . VAL A 1 28 ? -10.216 9.294 -24.027 1.0 40.12 ? 28 A 5 +ATOM 407 C C . VAL A 1 28 ? -11.044 8.206 -24.701 1.0 43.3 ? 28 A 5 +ATOM 408 O O . VAL A 1 28 ? -12.135 7.868 -24.242 1.0 51.44 ? 28 A 5 +ATOM 409 C CB . VAL A 1 28 ? -10.296 10.581 -24.87 1.0 70.14 ? 28 A 5 +ATOM 410 C CG1 . VAL A 1 28 ? -11.701 11.162 -24.827 1.0 13.41 ? 28 A 5 +ATOM 411 C CG2 . VAL A 1 28 ? -9.274 11.599 -24.386 1.0 73.55 ? 28 A 5 +ATOM 412 H H . VAL A 1 28 ? -8.111 9.411 -24.212 1.0 50.23 ? 28 A 5 +ATOM 413 H HA . VAL A 1 28 ? -10.635 9.501 -23.053 1.0 62.42 ? 28 A 5 +ATOM 414 H HB . VAL A 1 28 ? -10.065 10.33 -25.895 1.0 52.41 ? 28 A 5 +ATOM 415 H HG11 . VAL A 1 28 ? -11.819 11.877 -25.628 1.0 72.32 ? 28 A 5 +ATOM 416 H HG12 . VAL A 1 28 ? -12.423 10.367 -24.943 1.0 75.12 ? 28 A 5 +ATOM 417 H HG13 . VAL A 1 28 ? -11.857 11.655 -23.879 1.0 43.12 ? 28 A 5 +ATOM 418 H HG21 . VAL A 1 28 ? -8.681 11.165 -23.594 1.0 22.23 ? 28 A 5 +ATOM 419 H HG22 . VAL A 1 28 ? -8.631 11.88 -25.206 1.0 21.24 ? 28 A 5 +ATOM 420 H HG23 . VAL A 1 28 ? -9.786 12.474 -24.013 1.0 51.43 ? 28 A 5 +ATOM 421 N N . GLY A 1 29 ? -10.518 7.66 -25.793 1.0 51.02 ? 29 A 5 +ATOM 422 C CA . GLY A 1 29 ? -11.222 6.615 -26.513 1.0 24.21 ? 29 A 5 +ATOM 423 C C . GLY A 1 29 ? -11.679 5.492 -25.604 1.0 62.32 ? 29 A 5 +ATOM 424 O O . GLY A 1 29 ? -12.842 5.091 -25.639 1.0 1.41 ? 29 A 5 +ATOM 425 H H . GLY A 1 29 ? -9.645 7.97 -26.113 1.0 25.44 ? 29 A 5 +ATOM 426 H HA2 . GLY A 1 29 ? -12.085 7.046 -26.998 1.0 33.14 ? 29 A 5 +ATOM 427 H HA3 . GLY A 1 29 ? -10.564 6.208 -27.267 1.0 61.11 ? 29 A 5 +ATOM 428 N N . ALA A 1 30 ? -10.762 4.982 -24.789 1.0 0.3 ? 30 A 5 +ATOM 429 C CA . ALA A 1 30 ? -11.077 3.898 -23.867 1.0 24.42 ? 30 A 5 +ATOM 430 C C . ALA A 1 30 ? -12.173 4.31 -22.889 1.0 23.15 ? 30 A 5 +ATOM 431 O O . ALA A 1 30 ? -13.076 3.53 -22.589 1.0 23.32 ? 30 A 5 +ATOM 432 C CB . ALA A 1 30 ? -9.828 3.467 -23.112 1.0 4.23 ? 30 A 5 +ATOM 433 H H . ALA A 1 30 ? -9.852 5.344 -24.808 1.0 13.0 ? 30 A 5 +ATOM 434 H HA . ALA A 1 30 ? -11.425 3.056 -24.448 1.0 42.35 ? 30 A 5 +ATOM 435 H HB1 . ALA A 1 30 ? -9.964 2.464 -22.735 1.0 24.3 ? 30 A 5 +ATOM 436 H HB2 . ALA A 1 30 ? -8.979 3.491 -23.778 1.0 15.25 ? 30 A 5 +ATOM 437 H HB3 . ALA A 1 30 ? -9.657 4.142 -22.286 1.0 54.13 ? 30 A 5 +ATOM 438 N N . VAL A 1 31 ? -12.086 5.541 -22.395 1.0 44.02 ? 31 A 5 +ATOM 439 C CA . VAL A 1 31 ? -13.07 6.057 -21.452 1.0 44.43 ? 31 A 5 +ATOM 440 C C . VAL A 1 31 ? -14.464 6.082 -22.07 1.0 22.33 ? 31 A 5 +ATOM 441 O O . VAL A 1 31 ? -15.445 5.699 -21.432 1.0 41.34 ? 31 A 5 +ATOM 442 C CB . VAL A 1 31 ? -12.705 7.477 -20.98 1.0 42.01 ? 31 A 5 +ATOM 443 C CG1 . VAL A 1 31 ? -13.824 8.063 -20.131 1.0 61.22 ? 31 A 5 +ATOM 444 C CG2 . VAL A 1 31 ? -11.393 7.461 -20.21 1.0 34.2 ? 31 A 5 +ATOM 445 H H . VAL A 1 31 ? -11.343 6.117 -22.673 1.0 33.11 ? 31 A 5 +ATOM 446 H HA . VAL A 1 31 ? -13.081 5.406 -20.59 1.0 53.53 ? 31 A 5 +ATOM 447 H HB . VAL A 1 31 ? -12.579 8.103 -21.851 1.0 34.14 ? 31 A 5 +ATOM 448 H HG11 . VAL A 1 31 ? -14.495 7.273 -19.827 1.0 24.43 ? 31 A 5 +ATOM 449 H HG12 . VAL A 1 31 ? -13.402 8.536 -19.256 1.0 62.24 ? 31 A 5 +ATOM 450 H HG13 . VAL A 1 31 ? -14.368 8.794 -20.709 1.0 4.44 ? 31 A 5 +ATOM 451 H HG21 . VAL A 1 31 ? -10.59 7.777 -20.859 1.0 32.4 ? 31 A 5 +ATOM 452 H HG22 . VAL A 1 31 ? -11.463 8.134 -19.368 1.0 31.51 ? 31 A 5 +ATOM 453 H HG23 . VAL A 1 31 ? -11.196 6.46 -19.855 1.0 2.41 ? 31 A 5 +ATOM 454 N N . LYS A 1 32 ? -14.544 6.535 -23.316 1.0 44.33 ? 32 A 5 +ATOM 455 C CA . LYS A 1 32 ? -15.817 6.608 -24.024 1.0 33.41 ? 32 A 5 +ATOM 456 C C . LYS A 1 32 ? -16.502 5.246 -24.054 1.0 33.52 ? 32 A 5 +ATOM 457 O O . LYS A 1 32 ? -17.714 5.145 -23.865 1.0 55.22 ? 32 A 5 +ATOM 458 C CB . LYS A 1 32 ? -15.602 7.115 -25.452 1.0 21.43 ? 32 A 5 +ATOM 459 C CG . LYS A 1 32 ? -16.171 8.501 -25.697 1.0 62.04 ? 32 A 5 +ATOM 460 C CD . LYS A 1 32 ? -15.07 9.527 -25.906 1.0 13.3 ? 32 A 5 +ATOM 461 C CE . LYS A 1 32 ? -14.975 9.955 -27.362 1.0 61.02 ? 32 A 5 +ATOM 462 N NZ . LYS A 1 32 ? -16.239 10.584 -27.838 1.0 10.13 ? 32 A 5 +ATOM 463 H H . LYS A 1 32 ? -13.726 6.826 -23.773 1.0 0.43 ? 32 A 5 +ATOM 464 H HA . LYS A 1 32 ? -16.451 7.304 -23.495 1.0 20.21 ? 32 A 5 +ATOM 465 H HB2 . LYS A 1 32 ? -14.542 7.142 -25.655 1.0 31.13 ? 32 A 5 +ATOM 466 H HB3 . LYS A 1 32 ? -16.074 6.428 -26.139 1.0 51.43 ? 32 A 5 +ATOM 467 H HG2 . LYS A 1 32 ? -16.794 8.474 -26.579 1.0 34.55 ? 32 A 5 +ATOM 468 H HG3 . LYS A 1 32 ? -16.765 8.793 -24.843 1.0 75.31 ? 32 A 5 +ATOM 469 H HD2 . LYS A 1 32 ? -15.28 10.396 -25.3 1.0 62.53 ? 32 A 5 +ATOM 470 H HD3 . LYS A 1 32 ? -14.126 9.095 -25.604 1.0 34.24 ? 32 A 5 +ATOM 471 H HE2 . LYS A 1 32 ? -14.169 10.666 -27.463 1.0 32.35 ? 32 A 5 +ATOM 472 H HE3 . LYS A 1 32 ? -14.766 9.085 -27.967 1.0 31.14 ? 32 A 5 +ATOM 473 H HZ1 . LYS A 1 32 ? -16.768 10.977 -27.034 1.0 3.34 ? 32 A 5 +ATOM 474 H HZ2 . LYS A 1 32 ? -16.831 9.876 -28.317 1.0 11.13 ? 32 A 5 +ATOM 475 H HZ3 . LYS A 1 32 ? -16.026 11.351 -28.508 1.0 13.55 ? 32 A 5 +ATOM 476 N N . ALA A 1 33 ? -15.718 4.199 -24.292 1.0 34.21 ? 33 A 5 +ATOM 477 C CA . ALA A 1 33 ? -16.249 2.843 -24.343 1.0 60.31 ? 33 A 5 +ATOM 478 C C . ALA A 1 33 ? -16.819 2.425 -22.992 1.0 31.03 ? 33 A 5 +ATOM 479 O O . ALA A 1 33 ? -17.869 1.786 -22.92 1.0 31.32 ? 33 A 5 +ATOM 480 C CB . ALA A 1 33 ? -15.167 1.869 -24.786 1.0 54.24 ? 33 A 5 +ATOM 481 H H . ALA A 1 33 ? -14.759 4.343 -24.434 1.0 43.1 ? 33 A 5 +ATOM 482 H HA . ALA A 1 33 ? -17.04 2.822 -25.079 1.0 53.01 ? 33 A 5 +ATOM 483 H HB1 . ALA A 1 33 ? -14.278 2.026 -24.192 1.0 2.33 ? 33 A 5 +ATOM 484 H HB2 . ALA A 1 33 ? -15.517 0.856 -24.65 1.0 61.23 ? 33 A 5 +ATOM 485 H HB3 . ALA A 1 33 ? -14.938 2.035 -25.828 1.0 53.23 ? 33 A 5 +ATOM 486 N N . LYS A 1 34 ? -16.12 2.789 -21.922 1.0 30.14 ? 34 A 5 +ATOM 487 C CA . LYS A 1 34 ? -16.557 2.453 -20.572 1.0 3.41 ? 34 A 5 +ATOM 488 C C . LYS A 1 34 ? -17.931 3.048 -20.28 1.0 51.04 ? 34 A 5 +ATOM 489 O O . LYS A 1 34 ? -18.789 2.39 -19.692 1.0 30.3 ? 34 A 5 +ATOM 490 C CB . LYS A 1 34 ? -15.541 2.959 -19.545 1.0 63.02 ? 34 A 5 +ATOM 491 C CG . LYS A 1 34 ? -15.888 2.589 -18.113 1.0 24.43 ? 34 A 5 +ATOM 492 C CD . LYS A 1 34 ? -15.836 1.086 -17.898 1.0 44.42 ? 34 A 5 +ATOM 493 C CE . LYS A 1 34 ? -14.424 0.546 -18.068 1.0 34.12 ? 34 A 5 +ATOM 494 N NZ . LYS A 1 34 ? -14.244 -0.763 -17.382 1.0 13.0 ? 34 A 5 +ATOM 495 H H . LYS A 1 34 ? -15.291 3.298 -22.044 1.0 65.25 ? 34 A 5 +ATOM 496 H HA . LYS A 1 34 ? -16.621 1.378 -20.502 1.0 3.22 ? 34 A 5 +ATOM 497 H HB2 . LYS A 1 34 ? -14.573 2.542 -19.778 1.0 71.03 ? 34 A 5 +ATOM 498 H HB3 . LYS A 1 34 ? -15.486 4.036 -19.613 1.0 71.12 ? 34 A 5 +ATOM 499 H HG2 . LYS A 1 34 ? -15.182 3.062 -17.447 1.0 24.23 ? 34 A 5 +ATOM 500 H HG3 . LYS A 1 34 ? -16.886 2.941 -17.892 1.0 22.21 ? 34 A 5 +ATOM 501 H HD2 . LYS A 1 34 ? -16.176 0.862 -16.898 1.0 63.43 ? 34 A 5 +ATOM 502 H HD3 . LYS A 1 34 ? -16.485 0.605 -18.617 1.0 75.33 ? 34 A 5 +ATOM 503 H HE2 . LYS A 1 34 ? -14.226 0.422 -19.122 1.0 34.14 ? 34 A 5 +ATOM 504 H HE3 . LYS A 1 34 ? -13.728 1.26 -17.653 1.0 0.12 ? 34 A 5 +ATOM 505 H HZ1 . LYS A 1 34 ? -14.685 -1.522 -17.939 1.0 62.42 ? 34 A 5 +ATOM 506 H HZ2 . LYS A 1 34 ? -14.685 -0.736 -16.441 1.0 14.2 ? 34 A 5 +ATOM 507 H HZ3 . LYS A 1 34 ? -13.231 -0.972 -17.272 1.0 65.2 ? 34 A 5 +ATOM 508 N N . ILE A 1 35 ? -18.131 4.293 -20.696 1.0 14.42 ? 35 A 5 +ATOM 509 C CA . ILE A 1 35 ? -19.402 4.974 -20.482 1.0 22.32 ? 35 A 5 +ATOM 510 C C . ILE A 1 35 ? -20.516 4.33 -21.299 1.0 74.31 ? 35 A 5 +ATOM 511 O O . ILE A 1 35 ? -21.659 4.243 -20.85 1.0 33.23 ? 35 A 5 +ATOM 512 C CB . ILE A 1 35 ? -19.309 6.468 -20.847 1.0 42.5 ? 35 A 5 +ATOM 513 C CG1 . ILE A 1 35 ? -18.163 7.132 -20.083 1.0 22.04 ? 35 A 5 +ATOM 514 C CG2 . ILE A 1 35 ? -20.627 7.168 -20.551 1.0 45.14 ? 35 A 5 +ATOM 515 C CD1 . ILE A 1 35 ? -18.296 7.026 -18.58 1.0 11.1 ? 35 A 5 +ATOM 516 H H . ILE A 1 35 ? -17.409 4.765 -21.16 1.0 54.44 ? 35 A 5 +ATOM 517 H HA . ILE A 1 35 ? -19.649 4.896 -19.432 1.0 30.01 ? 35 A 5 +ATOM 518 H HB . ILE A 1 35 ? -19.119 6.544 -21.907 1.0 2.44 ? 35 A 5 +ATOM 519 H HG12 . ILE A 1 35 ? -17.232 6.666 -20.366 1.0 3.24 ? 35 A 5 +ATOM 520 H HG13 . ILE A 1 35 ? -18.129 8.181 -20.341 1.0 0.11 ? 35 A 5 +ATOM 521 H HG21 . ILE A 1 35 ? -20.513 8.231 -20.708 1.0 65.32 ? 35 A 5 +ATOM 522 H HG22 . ILE A 1 35 ? -21.393 6.788 -21.21 1.0 43.1 ? 35 A 5 +ATOM 523 H HG23 . ILE A 1 35 ? -20.91 6.984 -19.526 1.0 75.41 ? 35 A 5 +ATOM 524 H HD11 . ILE A 1 35 ? -17.745 7.829 -18.112 1.0 43.52 ? 35 A 5 +ATOM 525 H HD12 . ILE A 1 35 ? -19.338 7.098 -18.305 1.0 71.15 ? 35 A 5 +ATOM 526 H HD13 . ILE A 1 35 ? -17.901 6.077 -18.249 1.0 74.3 ? 35 A 5 +ATOM 527 N N . TYR A 1 36 ? -20.175 3.879 -22.501 1.0 62.53 ? 36 A 5 +ATOM 528 C CA . TYR A 1 36 ? -21.147 3.243 -23.383 1.0 64.44 ? 36 A 5 +ATOM 529 C C . TYR A 1 36 ? -21.801 2.046 -22.7 1.0 53.42 ? 36 A 5 +ATOM 530 O O . TYR A 1 36 ? -23.018 1.87 -22.761 1.0 34.33 ? 36 A 5 +ATOM 531 C CB . TYR A 1 36 ? -20.473 2.797 -24.682 1.0 74.42 ? 36 A 5 +ATOM 532 C CG . TYR A 1 36 ? -20.82 1.383 -25.09 1.0 43.51 ? 36 A 5 +ATOM 533 C CD1 . TYR A 1 36 ? -22.074 1.074 -25.6 1.0 62.31 ? 36 A 5 +ATOM 534 C CD2 . TYR A 1 36 ? -19.892 0.356 -24.965 1.0 22.21 ? 36 A 5 +ATOM 535 C CE1 . TYR A 1 36 ? -22.395 -0.217 -25.973 1.0 25.24 ? 36 A 5 +ATOM 536 C CE2 . TYR A 1 36 ? -20.204 -0.937 -25.337 1.0 24.41 ? 36 A 5 +ATOM 537 C CZ . TYR A 1 36 ? -21.457 -1.219 -25.84 1.0 51.0 ? 36 A 5 +ATOM 538 O OH . TYR A 1 36 ? -21.772 -2.506 -26.211 1.0 31.41 ? 36 A 5 +ATOM 539 H H . TYR A 1 36 ? -19.248 3.977 -22.804 1.0 42.53 ? 36 A 5 +ATOM 540 H HA . TYR A 1 36 ? -21.91 3.971 -23.616 1.0 45.34 ? 36 A 5 +ATOM 541 H HB2 . TYR A 1 36 ? -20.776 3.456 -25.481 1.0 32.41 ? 36 A 5 +ATOM 542 H HB3 . TYR A 1 36 ? -19.401 2.855 -24.561 1.0 73.31 ? 36 A 5 +ATOM 543 H HD1 . TYR A 1 36 ? -22.807 1.861 -25.704 1.0 14.41 ? 36 A 5 +ATOM 544 H HD2 . TYR A 1 36 ? -18.911 0.58 -24.57 1.0 73.43 ? 36 A 5 +ATOM 545 H HE1 . TYR A 1 36 ? -23.376 -0.438 -26.368 1.0 30.0 ? 36 A 5 +ATOM 546 H HE2 . TYR A 1 36 ? -19.469 -1.722 -25.232 1.0 11.1 ? 36 A 5 +ATOM 547 H HH . TYR A 1 36 ? -22.289 -2.487 -27.02 1.0 20.21 ? 36 A 5 +ATOM 548 N N . ASP A 1 37 ? -20.984 1.226 -22.048 1.0 31.31 ? 37 A 5 +ATOM 549 C CA . ASP A 1 37 ? -21.481 0.046 -21.35 1.0 4.3 ? 37 A 5 +ATOM 550 C C . ASP A 1 37 ? -22.177 0.436 -20.05 1.0 30.32 ? 37 A 5 +ATOM 551 O O . ASP A 1 37 ? -23.119 -0.226 -19.614 1.0 62.0 ? 37 A 5 +ATOM 552 C CB . ASP A 1 37 ? -20.333 -0.922 -21.058 1.0 35.43 ? 37 A 5 +ATOM 553 C CG . ASP A 1 37 ? -20.635 -2.334 -21.518 1.0 34.32 ? 37 A 5 +ATOM 554 O OD1 . ASP A 1 37 ? -21.328 -3.064 -20.778 1.0 31.12 ? 37 A 5 +ATOM 555 O OD2 . ASP A 1 37 ? -20.181 -2.71 -22.619 1.0 3.2 ? 37 A 5 +ATOM 556 H H . ASP A 1 37 ? -20.023 1.42 -22.035 1.0 51.42 ? 37 A 5 +ATOM 557 H HA . ASP A 1 37 ? -22.196 -0.443 -21.994 1.0 32.24 ? 37 A 5 +ATOM 558 H HB2 . ASP A 1 37 ? -19.444 -0.58 -21.568 1.0 43.14 ? 37 A 5 +ATOM 559 H HB3 . ASP A 1 37 ? -20.148 -0.94 -19.994 1.0 34.23 ? 37 A 5 +ATOM 560 N N . LYS A 1 38 ? -21.706 1.515 -19.434 1.0 33.03 ? 38 A 5 +ATOM 561 C CA . LYS A 1 38 ? -22.282 1.995 -18.183 1.0 33.5 ? 38 A 5 +ATOM 562 C C . LYS A 1 38 ? -23.784 2.223 -18.328 1.0 62.1 ? 38 A 5 +ATOM 563 O O . LYS A 1 38 ? -24.568 1.808 -17.475 1.0 13.24 ? 38 A 5 +ATOM 564 C CB . LYS A 1 38 ? -21.599 3.293 -17.748 1.0 32.13 ? 38 A 5 +ATOM 565 C CG . LYS A 1 38 ? -20.812 3.162 -16.455 1.0 11.13 ? 38 A 5 +ATOM 566 C CD . LYS A 1 38 ? -19.35 2.846 -16.721 1.0 55.11 ? 38 A 5 +ATOM 567 C CE . LYS A 1 38 ? -19.123 1.351 -16.879 1.0 12.13 ? 38 A 5 +ATOM 568 N NZ . LYS A 1 38 ? -18.543 0.745 -15.649 1.0 62.42 ? 38 A 5 +ATOM 569 H H . LYS A 1 38 ? -20.953 2.002 -19.831 1.0 40.1 ? 38 A 5 +ATOM 570 H HA . LYS A 1 38 ? -22.116 1.24 -17.43 1.0 13.43 ? 38 A 5 +ATOM 571 H HB2 . LYS A 1 38 ? -20.92 3.608 -18.527 1.0 53.44 ? 38 A 5 +ATOM 572 H HB3 . LYS A 1 38 ? -22.353 4.055 -17.61 1.0 74.35 ? 38 A 5 +ATOM 573 H HG2 . LYS A 1 38 ? -20.875 4.093 -15.91 1.0 72.35 ? 38 A 5 +ATOM 574 H HG3 . LYS A 1 38 ? -21.241 2.367 -15.863 1.0 65.33 ? 38 A 5 +ATOM 575 H HD2 . LYS A 1 38 ? -19.043 3.344 -17.629 1.0 31.44 ? 38 A 5 +ATOM 576 H HD3 . LYS A 1 38 ? -18.756 3.206 -15.893 1.0 51.13 ? 38 A 5 +ATOM 577 H HE2 . LYS A 1 38 ? -20.069 0.877 -17.092 1.0 72.24 ? 38 A 5 +ATOM 578 H HE3 . LYS A 1 38 ? -18.445 1.189 -17.705 1.0 52.14 ? 38 A 5 +ATOM 579 H HZ1 . LYS A 1 38 ? -19.282 0.624 -14.928 1.0 12.21 ? 38 A 5 +ATOM 580 H HZ2 . LYS A 1 38 ? -17.796 1.36 -15.266 1.0 31.3 ? 38 A 5 +ATOM 581 H HZ3 . LYS A 1 38 ? -18.132 -0.185 -15.868 1.0 72.13 ? 38 A 5 +ATOM 582 N N . GLU A 1 39 ? -24.176 2.883 -19.413 1.0 74.33 ? 39 A 5 +ATOM 583 C CA . GLU A 1 39 ? -25.584 3.164 -19.668 1.0 31.43 ? 39 A 5 +ATOM 584 C C . GLU A 1 39 ? -26.092 2.359 -20.861 1.0 55.55 ? 39 A 5 +ATOM 585 O O . GLU A 1 39 ? -27.08 1.633 -20.758 1.0 44.25 ? 39 A 5 +ATOM 586 C CB . GLU A 1 39 ? -25.791 4.658 -19.922 1.0 31.12 ? 39 A 5 +ATOM 587 C CG . GLU A 1 39 ? -24.617 5.325 -20.62 1.0 22.34 ? 39 A 5 +ATOM 588 C CD . GLU A 1 39 ? -24.787 6.827 -20.742 1.0 34.02 ? 39 A 5 +ATOM 589 O OE1 . GLU A 1 39 ? -25.942 7.283 -20.88 1.0 60.52 ? 39 A 5 +ATOM 590 O OE2 . GLU A 1 39 ? -23.767 7.546 -20.701 1.0 24.54 ? 39 A 5 +ATOM 591 H H . GLU A 1 39 ? -23.503 3.188 -20.056 1.0 53.12 ? 39 A 5 +ATOM 592 H HA . GLU A 1 39 ? -26.144 2.877 -18.791 1.0 24.23 ? 39 A 5 +ATOM 593 H HB2 . GLU A 1 39 ? -26.669 4.789 -20.536 1.0 13.32 ? 39 A 5 +ATOM 594 H HB3 . GLU A 1 39 ? -25.948 5.154 -18.975 1.0 53.15 ? 39 A 5 +ATOM 595 H HG2 . GLU A 1 39 ? -23.718 5.126 -20.055 1.0 73.51 ? 39 A 5 +ATOM 596 H HG3 . GLU A 1 39 ? -24.518 4.907 -21.61 1.0 55.55 ? 39 A 5 +ATOM 597 N N . GLY A 1 40 ? -25.409 2.494 -21.993 1.0 41.31 ? 40 A 5 +ATOM 598 C CA . GLY A 1 40 ? -25.806 1.775 -23.19 1.0 23.2 ? 40 A 5 +ATOM 599 C C . GLY A 1 40 ? -26.074 2.7 -24.36 1.0 54.31 ? 40 A 5 +ATOM 600 O O . GLY A 1 40 ? -27.114 2.602 -25.012 1.0 62.35 ? 40 A 5 +ATOM 601 H H . GLY A 1 40 ? -24.629 3.088 -22.017 1.0 1.31 ? 40 A 5 +ATOM 602 H HA2 . GLY A 1 40 ? -25.019 1.087 -23.46 1.0 42.33 ? 40 A 5 +ATOM 603 H HA3 . GLY A 1 40 ? -26.704 1.213 -22.977 1.0 42.25 ? 40 A 5 +ATOM 604 N N . ILE A 1 41 ? -25.135 3.602 -24.627 1.0 11.45 ? 41 A 5 +ATOM 605 C CA . ILE A 1 41 ? -25.276 4.548 -25.726 1.0 13.21 ? 41 A 5 +ATOM 606 C C . ILE A 1 41 ? -24.065 4.501 -26.651 1.0 73.14 ? 41 A 5 +ATOM 607 O O . ILE A 1 41 ? -22.981 4.056 -26.273 1.0 54.03 ? 41 A 5 +ATOM 608 C CB . ILE A 1 41 ? -25.458 5.988 -25.21 1.0 13.54 ? 41 A 5 +ATOM 609 C CG1 . ILE A 1 41 ? -24.578 6.227 -23.981 1.0 35.25 ? 41 A 5 +ATOM 610 C CG2 . ILE A 1 41 ? -26.919 6.252 -24.881 1.0 15.54 ? 41 A 5 +ATOM 611 C CD1 . ILE A 1 41 ? -23.997 7.622 -23.917 1.0 51.21 ? 41 A 5 +ATOM 612 H H . ILE A 1 41 ? -24.329 3.631 -24.071 1.0 10.31 ? 41 A 5 +ATOM 613 H HA . ILE A 1 41 ? -26.157 4.275 -26.29 1.0 22.4 ? 41 A 5 +ATOM 614 H HB . ILE A 1 41 ? -25.162 6.668 -25.994 1.0 2.22 ? 41 A 5 +ATOM 615 H HG12 . ILE A 1 41 ? -25.164 6.071 -23.09 1.0 53.25 ? 41 A 5 +ATOM 616 H HG13 . ILE A 1 41 ? -23.756 5.525 -23.994 1.0 73.21 ? 41 A 5 +ATOM 617 H HG21 . ILE A 1 41 ? -27.466 6.436 -25.794 1.0 41.34 ? 41 A 5 +ATOM 618 H HG22 . ILE A 1 41 ? -27.336 5.391 -24.38 1.0 35.01 ? 41 A 5 +ATOM 619 H HG23 . ILE A 1 41 ? -26.993 7.115 -24.236 1.0 24.24 ? 41 A 5 +ATOM 620 H HD11 . ILE A 1 41 ? -23.125 7.62 -23.279 1.0 13.35 ? 41 A 5 +ATOM 621 H HD12 . ILE A 1 41 ? -23.714 7.942 -24.909 1.0 5.02 ? 41 A 5 +ATOM 622 H HD13 . ILE A 1 41 ? -24.734 8.301 -23.515 1.0 73.01 ? 41 A 5 +ATOM 623 N N . PRO A 1 42 ? -24.25 4.971 -27.893 1.0 42.01 ? 42 A 5 +ATOM 624 C CA . PRO A 1 42 ? -23.183 4.995 -28.898 1.0 63.34 ? 42 A 5 +ATOM 625 C C . PRO A 1 42 ? -22.099 6.016 -28.568 1.0 4.23 ? 42 A 5 +ATOM 626 O O . PRO A 1 42 ? -22.334 7.225 -28.555 1.0 21.54 ? 42 A 5 +ATOM 627 C CB . PRO A 1 42 ? -23.915 5.389 -30.184 1.0 63.45 ? 42 A 5 +ATOM 628 C CG . PRO A 1 42 ? -25.115 6.14 -29.721 1.0 31.23 ? 42 A 5 +ATOM 629 C CD . PRO A 1 42 ? -25.516 5.516 -28.413 1.0 52.22 ? 42 A 5 +ATOM 630 H HA . PRO A 1 42 ? -22.733 4.021 -29.022 1.0 60.32 ? 42 A 5 +ATOM 631 H HB2 . PRO A 1 42 ? -23.271 6.009 -30.792 1.0 50.23 ? 42 A 5 +ATOM 632 H HB3 . PRO A 1 42 ? -24.192 4.501 -30.731 1.0 64.01 ? 42 A 5 +ATOM 633 H HG2 . PRO A 1 42 ? -24.866 7.181 -29.579 1.0 0.11 ? 42 A 5 +ATOM 634 H HG3 . PRO A 1 42 ? -25.912 6.039 -30.443 1.0 1.1 ? 42 A 5 +ATOM 635 H HD2 . PRO A 1 42 ? -25.917 6.264 -27.745 1.0 11.32 ? 42 A 5 +ATOM 636 H HD3 . PRO A 1 42 ? -26.236 4.728 -28.576 1.0 34.03 ? 42 A 5 +ATOM 637 N N . PRO A 1 43 ? -20.883 5.522 -28.296 1.0 1.41 ? 43 A 5 +ATOM 638 C CA . PRO A 1 43 ? -19.738 6.374 -27.961 1.0 62.53 ? 43 A 5 +ATOM 639 C C . PRO A 1 43 ? -19.249 7.183 -29.158 1.0 21.35 ? 43 A 5 +ATOM 640 O O . PRO A 1 43 ? -18.76 8.303 -29.005 1.0 73.42 ? 43 A 5 +ATOM 641 C CB . PRO A 1 43 ? -18.668 5.374 -27.519 1.0 74.43 ? 43 A 5 +ATOM 642 C CG . PRO A 1 43 ? -19.029 4.103 -28.206 1.0 42.11 ? 43 A 5 +ATOM 643 C CD . PRO A 1 43 ? -20.53 4.092 -28.293 1.0 32.53 ? 43 A 5 +ATOM 644 H HA . PRO A 1 43 ? -19.967 7.044 -27.145 1.0 3.1 ? 43 A 5 +ATOM 645 H HB2 . PRO A 1 43 ? -17.693 5.727 -27.825 1.0 1.2 ? 43 A 5 +ATOM 646 H HB3 . PRO A 1 43 ? -18.695 5.263 -26.445 1.0 52.2 ? 43 A 5 +ATOM 647 H HG2 . PRO A 1 43 ? -18.596 4.084 -29.195 1.0 21.5 ? 43 A 5 +ATOM 648 H HG3 . PRO A 1 43 ? -18.682 3.26 -27.627 1.0 41.32 ? 43 A 5 +ATOM 649 H HD2 . PRO A 1 43 ? -20.852 3.614 -29.207 1.0 55.24 ? 43 A 5 +ATOM 650 H HD3 . PRO A 1 43 ? -20.954 3.592 -27.434 1.0 31.14 ? 43 A 5 +ATOM 651 N N . ASP A 1 44 ? -19.384 6.61 -30.349 1.0 54.12 ? 44 A 5 +ATOM 652 C CA . ASP A 1 44 ? -18.957 7.279 -31.572 1.0 51.34 ? 44 A 5 +ATOM 653 C C . ASP A 1 44 ? -19.924 8.398 -31.946 1.0 65.34 ? 44 A 5 +ATOM 654 O O . ASP A 1 44 ? -19.597 9.27 -32.749 1.0 41.23 ? 44 A 5 +ATOM 655 C CB . ASP A 1 44 ? -18.854 6.272 -32.72 1.0 23.35 ? 44 A 5 +ATOM 656 C CG . ASP A 1 44 ? -17.933 6.748 -33.826 1.0 52.14 ? 44 A 5 +ATOM 657 O OD1 . ASP A 1 44 ? -17.242 7.768 -33.624 1.0 70.43 ? 44 A 5 +ATOM 658 O OD2 . ASP A 1 44 ? -17.904 6.1 -34.893 1.0 15.14 ? 44 A 5 +ATOM 659 H H . ASP A 1 44 ? -19.781 5.715 -30.406 1.0 64.31 ? 44 A 5 +ATOM 660 H HA . ASP A 1 44 ? -17.983 7.707 -31.393 1.0 72.42 ? 44 A 5 +ATOM 661 H HB2 . ASP A 1 44 ? -18.473 5.337 -32.336 1.0 64.21 ? 44 A 5 +ATOM 662 H HB3 . ASP A 1 44 ? -19.837 6.112 -33.138 1.0 74.33 ? 44 A 5 +ATOM 663 N N . GLN A 1 45 ? -21.115 8.364 -31.357 1.0 24.51 ? 45 A 5 +ATOM 664 C CA . GLN A 1 45 ? -22.13 9.375 -31.63 1.0 55.1 ? 45 A 5 +ATOM 665 C C . GLN A 1 45 ? -22.035 10.525 -30.633 1.0 65.33 ? 45 A 5 +ATOM 666 O O . GLN A 1 45 ? -22.644 11.577 -30.825 1.0 0.12 ? 45 A 5 +ATOM 667 C CB . GLN A 1 45 ? -23.527 8.753 -31.578 1.0 3.33 ? 45 A 5 +ATOM 668 C CG . GLN A 1 45 ? -23.967 8.134 -32.895 1.0 71.05 ? 45 A 5 +ATOM 669 C CD . GLN A 1 45 ? -25.066 7.106 -32.718 1.0 50.21 ? 45 A 5 +ATOM 670 O OE1 . GLN A 1 45 ? -26.167 7.427 -32.269 1.0 30.33 ? 45 A 5 +ATOM 671 N NE2 . GLN A 1 45 ? -24.774 5.86 -33.072 1.0 54.11 ? 45 A 5 +ATOM 672 H H . GLN A 1 45 ? -21.317 7.643 -30.726 1.0 33.14 ? 45 A 5 +ATOM 673 H HA . GLN A 1 45 ? -21.955 9.761 -32.623 1.0 54.13 ? 45 A 5 +ATOM 674 H HB2 . GLN A 1 45 ? -23.537 7.983 -30.822 1.0 72.22 ? 45 A 5 +ATOM 675 H HB3 . GLN A 1 45 ? -24.239 9.519 -31.31 1.0 51.24 ? 45 A 5 +ATOM 676 H HG2 . GLN A 1 45 ? -24.33 8.918 -33.543 1.0 11.31 ? 45 A 5 +ATOM 677 H HG3 . GLN A 1 45 ? -23.115 7.655 -33.355 1.0 33.23 ? 45 A 5 +ATOM 678 H HE21 . GLN A 1 45 ? -23.876 5.676 -33.421 1.0 35.4 ? 45 A 5 +ATOM 679 H HE22 . GLN A 1 45 ? -25.465 5.174 -32.967 1.0 53.4 ? 45 A 5 +ATOM 680 N N . GLN A 1 46 ? -21.268 10.316 -29.568 1.0 5.34 ? 46 A 5 +ATOM 681 C CA . GLN A 1 46 ? -21.095 11.336 -28.54 1.0 54.21 ? 46 A 5 +ATOM 682 C C . GLN A 1 46 ? -19.678 11.9 -28.566 1.0 23.33 ? 46 A 5 +ATOM 683 O O . GLN A 1 46 ? -18.757 11.268 -29.084 1.0 42.0 ? 46 A 5 +ATOM 684 C CB . GLN A 1 46 ? -21.4 10.754 -27.159 1.0 54.1 ? 46 A 5 +ATOM 685 C CG . GLN A 1 46 ? -20.61 9.495 -26.841 1.0 63.33 ? 46 A 5 +ATOM 686 C CD . GLN A 1 46 ? -20.559 9.197 -25.355 1.0 73.34 ? 46 A 5 +ATOM 687 O OE1 . GLN A 1 46 ? -21.594 9.034 -24.707 1.0 62.34 ? 46 A 5 +ATOM 688 N NE2 . GLN A 1 46 ? -19.352 9.125 -24.806 1.0 52.51 ? 46 A 5 +ATOM 689 H H . GLN A 1 46 ? -20.808 9.457 -29.471 1.0 61.13 ? 46 A 5 +ATOM 690 H HA . GLN A 1 46 ? -21.791 12.135 -28.746 1.0 1.54 ? 46 A 5 +ATOM 691 H HB2 . GLN A 1 46 ? -21.169 11.497 -26.41 1.0 70.34 ? 46 A 5 +ATOM 692 H HB3 . GLN A 1 46 ? -22.452 10.516 -27.106 1.0 24.41 ? 46 A 5 +ATOM 693 H HG2 . GLN A 1 46 ? -21.072 8.659 -27.344 1.0 71.34 ? 46 A 5 +ATOM 694 H HG3 . GLN A 1 46 ? -19.6 9.618 -27.203 1.0 12.44 ? 46 A 5 +ATOM 695 H HE21 . GLN A 1 46 ? -18.573 9.268 -25.384 1.0 61.21 ? 46 A 5 +ATOM 696 H HE22 . GLN A 1 46 ? -19.29 8.935 -23.848 1.0 54.41 ? 46 A 5 +ATOM 697 N N . ARG A 1 47 ? -19.511 13.092 -28.004 1.0 11.31 ? 47 A 5 +ATOM 698 C CA . ARG A 1 47 ? -18.206 13.742 -27.964 1.0 74.42 ? 47 A 5 +ATOM 699 C C . ARG A 1 47 ? -17.982 14.428 -26.62 1.0 0.05 ? 47 A 5 +ATOM 700 O O . ARG A 1 47 ? -18.931 14.704 -25.885 1.0 62.43 ? 47 A 5 +ATOM 701 C CB . ARG A 1 47 ? -18.087 14.764 -29.097 1.0 53.24 ? 47 A 5 +ATOM 702 C CG . ARG A 1 47 ? -16.939 14.483 -30.052 1.0 25.13 ? 47 A 5 +ATOM 703 C CD . ARG A 1 47 ? -17.227 13.275 -30.93 1.0 74.31 ? 47 A 5 +ATOM 704 N NE . ARG A 1 47 ? -16.943 13.542 -32.337 1.0 72.02 ? 47 A 5 +ATOM 705 C CZ . ARG A 1 47 ? -16.912 12.599 -33.272 1.0 4.33 ? 47 A 5 +ATOM 706 N NH1 . ARG A 1 47 ? -17.147 11.334 -32.951 1.0 22.33 ? 47 A 5 +ATOM 707 N NH2 . ARG A 1 47 ? -16.646 12.92 -34.532 1.0 24.44 ? 47 A 5 +ATOM 708 H H . ARG A 1 47 ? -20.283 13.547 -27.608 1.0 14.32 ? 47 A 5 +ATOM 709 H HA . ARG A 1 47 ? -17.452 12.981 -28.097 1.0 52.1 ? 47 A 5 +ATOM 710 H HB2 . ARG A 1 47 ? -19.006 14.764 -29.664 1.0 12.43 ? 47 A 5 +ATOM 711 H HB3 . ARG A 1 47 ? -17.938 15.743 -28.667 1.0 31.22 ? 47 A 5 +ATOM 712 H HG2 . ARG A 1 47 ? -16.789 15.346 -30.684 1.0 2.15 ? 47 A 5 +ATOM 713 H HG3 . ARG A 1 47 ? -16.043 14.295 -29.478 1.0 3.22 ? 47 A 5 +ATOM 714 H HD2 . ARG A 1 47 ? -16.613 12.451 -30.599 1.0 62.34 ? 47 A 5 +ATOM 715 H HD3 . ARG A 1 47 ? -18.269 13.012 -30.826 1.0 4.32 ? 47 A 5 +ATOM 716 H HE . ARG A 1 47 ? -16.767 14.47 -32.597 1.0 51.12 ? 47 A 5 +ATOM 717 H HH11 . ARG A 1 47 ? -17.348 11.089 -32.002 1.0 35.02 ? 47 A 5 +ATOM 718 H HH12 . ARG A 1 47 ? -17.124 10.626 -33.657 1.0 42.25 ? 47 A 5 +ATOM 719 H HH21 . ARG A 1 47 ? -16.469 13.872 -34.778 1.0 32.54 ? 47 A 5 +ATOM 720 H HH22 . ARG A 1 47 ? -16.623 12.209 -35.235 1.0 51.04 ? 47 A 5 +ATOM 721 N N . LEU A 1 48 ? -16.72 14.7 -26.304 1.0 13.42 ? 48 A 5 +ATOM 722 C CA . LEU A 1 48 ? -16.37 15.354 -25.048 1.0 63.04 ? 48 A 5 +ATOM 723 C C . LEU A 1 48 ? -16.026 16.822 -25.276 1.0 70.54 ? 48 A 5 +ATOM 724 O O . LEU A 1 48 ? -15.452 17.183 -26.304 1.0 13.22 ? 48 A 5 +ATOM 725 C CB . LEU A 1 48 ? -15.189 14.638 -24.39 1.0 73.22 ? 48 A 5 +ATOM 726 C CG . LEU A 1 48 ? -15.132 13.122 -24.582 1.0 23.01 ? 48 A 5 +ATOM 727 C CD1 . LEU A 1 48 ? -16.519 12.514 -24.445 1.0 2.23 ? 48 A 5 +ATOM 728 C CD2 . LEU A 1 48 ? -14.528 12.778 -25.935 1.0 62.5 ? 48 A 5 +ATOM 729 H H . LEU A 1 48 ? -16.007 14.457 -26.93 1.0 13.1 ? 48 A 5 +ATOM 730 H HA . LEU A 1 48 ? -17.227 15.295 -24.394 1.0 5.14 ? 48 A 5 +ATOM 731 H HB2 . LEU A 1 48 ? -14.281 15.057 -24.795 1.0 14.35 ? 48 A 5 +ATOM 732 H HB3 . LEU A 1 48 ? -15.233 14.837 -23.328 1.0 62.22 ? 48 A 5 +ATOM 733 H HG . LEU A 1 48 ? -14.503 12.692 -23.815 1.0 74.12 ? 48 A 5 +ATOM 734 H HD11 . LEU A 1 48 ? -16.98 12.447 -25.419 1.0 72.12 ? 48 A 5 +ATOM 735 H HD12 . LEU A 1 48 ? -17.124 13.137 -23.803 1.0 51.52 ? 48 A 5 +ATOM 736 H HD13 . LEU A 1 48 ? -16.439 11.526 -24.015 1.0 50.13 ? 48 A 5 +ATOM 737 H HD21 . LEU A 1 48 ? -13.966 11.86 -25.856 1.0 32.51 ? 48 A 5 +ATOM 738 H HD22 . LEU A 1 48 ? -13.872 13.576 -26.249 1.0 4.35 ? 48 A 5 +ATOM 739 H HD23 . LEU A 1 48 ? -15.318 12.655 -26.662 1.0 44.23 ? 48 A 5 +ATOM 740 N N . ILE A 1 49 ? -16.378 17.664 -24.31 1.0 13.31 ? 49 A 5 +ATOM 741 C CA . ILE A 1 49 ? -16.104 19.092 -24.404 1.0 13.25 ? 49 A 5 +ATOM 742 C C . ILE A 1 49 ? -15.654 19.655 -23.06 1.0 73.24 ? 49 A 5 +ATOM 743 O O . ILE A 1 49 ? -16.355 19.528 -22.056 1.0 20.41 ? 49 A 5 +ATOM 744 C CB . ILE A 1 49 ? -17.34 19.873 -24.887 1.0 42.12 ? 49 A 5 +ATOM 745 C CG1 . ILE A 1 49 ? -17.332 19.991 -26.412 1.0 21.4 ? 49 A 5 +ATOM 746 C CG2 . ILE A 1 49 ? -17.381 21.251 -24.244 1.0 44.11 ? 49 A 5 +ATOM 747 C CD1 . ILE A 1 49 ? -18.617 19.526 -27.061 1.0 30.32 ? 49 A 5 +ATOM 748 H H . ILE A 1 49 ? -16.833 17.316 -23.515 1.0 11.12 ? 49 A 5 +ATOM 749 H HA . ILE A 1 49 ? -15.31 19.232 -25.124 1.0 31.54 ? 49 A 5 +ATOM 750 H HB . ILE A 1 49 ? -18.222 19.332 -24.579 1.0 10.22 ? 49 A 5 +ATOM 751 H HG12 . ILE A 1 49 ? -17.177 21.022 -26.687 1.0 52.53 ? 49 A 5 +ATOM 752 H HG13 . ILE A 1 49 ? -16.524 19.392 -26.808 1.0 23.14 ? 49 A 5 +ATOM 753 H HG21 . ILE A 1 49 ? -18.092 21.872 -24.769 1.0 54.41 ? 49 A 5 +ATOM 754 H HG22 . ILE A 1 49 ? -17.682 21.157 -23.211 1.0 2.4 ? 49 A 5 +ATOM 755 H HG23 . ILE A 1 49 ? -16.402 21.702 -24.295 1.0 53.42 ? 49 A 5 +ATOM 756 H HD11 . ILE A 1 49 ? -19.389 20.264 -26.899 1.0 43.14 ? 49 A 5 +ATOM 757 H HD12 . ILE A 1 49 ? -18.459 19.399 -28.122 1.0 61.33 ? 49 A 5 +ATOM 758 H HD13 . ILE A 1 49 ? -18.921 18.586 -26.626 1.0 3.14 ? 49 A 5 +ATOM 759 N N . PHE A 1 50 ? -14.481 20.28 -23.048 1.0 0.44 ? 50 A 5 +ATOM 760 C CA . PHE A 1 50 ? -13.938 20.864 -21.828 1.0 63.4 ? 50 A 5 +ATOM 761 C C . PHE A 1 50 ? -13.571 22.329 -22.042 1.0 34.31 ? 50 A 5 +ATOM 762 O O . PHE A 1 50 ? -12.795 22.662 -22.937 1.0 24.03 ? 50 A 5 +ATOM 763 C CB . PHE A 1 50 ? -12.706 20.081 -21.367 1.0 1.31 ? 50 A 5 +ATOM 764 C CG . PHE A 1 50 ? -12.338 20.333 -19.933 1.0 63.44 ? 50 A 5 +ATOM 765 C CD1 . PHE A 1 50 ? -11.742 21.526 -19.556 1.0 63.22 ? 50 A 5 +ATOM 766 C CD2 . PHE A 1 50 ? -12.587 19.377 -18.961 1.0 31.12 ? 50 A 5 +ATOM 767 C CE1 . PHE A 1 50 ? -11.402 21.761 -18.237 1.0 44.05 ? 50 A 5 +ATOM 768 C CE2 . PHE A 1 50 ? -12.25 19.607 -17.641 1.0 53.14 ? 50 A 5 +ATOM 769 C CZ . PHE A 1 50 ? -11.656 20.8 -17.279 1.0 64.24 ? 50 A 5 +ATOM 770 H H . PHE A 1 50 ? -13.968 20.349 -23.881 1.0 32.43 ? 50 A 5 +ATOM 771 H HA . PHE A 1 50 ? -14.699 20.803 -21.065 1.0 55.42 ? 50 A 5 +ATOM 772 H HB2 . PHE A 1 50 ? -12.898 19.024 -21.479 1.0 72.21 ? 50 A 5 +ATOM 773 H HB3 . PHE A 1 50 ? -11.863 20.357 -21.981 1.0 52.42 ? 50 A 5 +ATOM 774 H HD1 . PHE A 1 50 ? -11.543 22.279 -20.306 1.0 64.41 ? 50 A 5 +ATOM 775 H HD2 . PHE A 1 50 ? -13.051 18.443 -19.243 1.0 25.0 ? 50 A 5 +ATOM 776 H HE1 . PHE A 1 50 ? -10.938 22.695 -17.958 1.0 33.34 ? 50 A 5 +ATOM 777 H HE2 . PHE A 1 50 ? -12.449 18.853 -16.893 1.0 34.14 ? 50 A 5 +ATOM 778 H HZ . PHE A 1 50 ? -11.391 20.982 -16.248 1.0 42.2 ? 50 A 5 +ATOM 779 N N . GLY A 1 51 ? -14.137 23.202 -21.214 1.0 53.44 ? 51 A 5 +ATOM 780 C CA . GLY A 1 51 ? -13.859 24.622 -21.33 1.0 33.5 ? 51 A 5 +ATOM 781 C C . GLY A 1 51 ? -14.394 25.214 -22.618 1.0 34.32 ? 51 A 5 +ATOM 782 O O . GLY A 1 51 ? -14.09 26.357 -22.958 1.0 0.02 ? 51 A 5 +ATOM 783 H H . GLY A 1 51 ? -14.749 22.879 -20.519 1.0 14.34 ? 51 A 5 +ATOM 784 H HA2 . GLY A 1 51 ? -14.312 25.135 -20.494 1.0 71.3 ? 51 A 5 +ATOM 785 H HA3 . GLY A 1 51 ? -12.79 24.772 -21.295 1.0 2.33 ? 51 A 5 +ATOM 786 N N . GLY A 1 52 ? -15.194 24.434 -23.34 1.0 51.33 ? 52 A 5 +ATOM 787 C CA . GLY A 1 52 ? -15.758 24.906 -24.591 1.0 70.11 ? 52 A 5 +ATOM 788 C C . GLY A 1 52 ? -15.196 24.171 -25.793 1.0 64.35 ? 52 A 5 +ATOM 789 O O . GLY A 1 52 ? -15.877 24.011 -26.806 1.0 21.12 ? 52 A 5 +ATOM 790 H H . GLY A 1 52 ? -15.402 23.532 -23.02 1.0 52.33 ? 52 A 5 +ATOM 791 H HA2 . GLY A 1 52 ? -16.828 24.768 -24.566 1.0 34.31 ? 52 A 5 +ATOM 792 H HA3 . GLY A 1 52 ? -15.543 25.959 -24.695 1.0 33.12 ? 52 A 5 +ATOM 793 N N . LYS A 1 53 ? -13.95 23.724 -25.682 1.0 4.12 ? 53 A 5 +ATOM 794 C CA . LYS A 1 53 ? -13.296 23.003 -26.767 1.0 20.15 ? 53 A 5 +ATOM 795 C C . LYS A 1 53 ? -13.456 21.496 -26.593 1.0 12.34 ? 53 A 5 +ATOM 796 O O . LYS A 1 53 ? -13.496 20.993 -25.471 1.0 53.3 ? 53 A 5 +ATOM 797 C CB . LYS A 1 53 ? -11.81 23.366 -26.825 1.0 12.13 ? 53 A 5 +ATOM 798 C CG . LYS A 1 53 ? -11.09 23.193 -25.499 1.0 34.42 ? 53 A 5 +ATOM 799 C CD . LYS A 1 53 ? -10.497 21.801 -25.364 1.0 44.0 ? 53 A 5 +ATOM 800 C CE . LYS A 1 53 ? -9.379 21.571 -26.369 1.0 75.53 ? 53 A 5 +ATOM 801 N NZ . LYS A 1 53 ? -8.367 22.663 -26.333 1.0 61.53 ? 53 A 5 +ATOM 802 H H . LYS A 1 53 ? -13.458 23.883 -24.848 1.0 32.12 ? 53 A 5 +ATOM 803 H HA . LYS A 1 53 ? -13.766 23.299 -27.693 1.0 74.23 ? 53 A 5 +ATOM 804 H HB2 . LYS A 1 53 ? -11.327 22.737 -27.558 1.0 34.02 ? 53 A 5 +ATOM 805 H HB3 . LYS A 1 53 ? -11.716 24.398 -27.131 1.0 32.22 ? 53 A 5 +ATOM 806 H HG2 . LYS A 1 53 ? -10.293 23.92 -25.435 1.0 24.24 ? 53 A 5 +ATOM 807 H HG3 . LYS A 1 53 ? -11.793 23.355 -24.695 1.0 53.0 ? 53 A 5 +ATOM 808 H HD2 . LYS A 1 53 ? -10.099 21.684 -24.367 1.0 22.42 ? 53 A 5 +ATOM 809 H HD3 . LYS A 1 53 ? -11.275 21.07 -25.531 1.0 0.05 ? 53 A 5 +ATOM 810 H HE2 . LYS A 1 53 ? -8.893 20.635 -26.14 1.0 25.2 ? 53 A 5 +ATOM 811 H HE3 . LYS A 1 53 ? -9.807 21.521 -27.359 1.0 75.24 ? 53 A 5 +ATOM 812 H HZ1 . LYS A 1 53 ? -8.53 23.328 -27.117 1.0 1.33 ? 53 A 5 +ATOM 813 H HZ2 . LYS A 1 53 ? -7.41 22.267 -26.422 1.0 14.14 ? 53 A 5 +ATOM 814 H HZ3 . LYS A 1 53 ? -8.433 23.182 -25.434 1.0 31.25 ? 53 A 5 +ATOM 815 N N . GLN A 1 54 ? -13.546 20.782 -27.711 1.0 32.1 ? 54 A 5 +ATOM 816 C CA . GLN A 1 54 ? -13.701 19.333 -27.681 1.0 3.14 ? 54 A 5 +ATOM 817 C C . GLN A 1 54 ? -12.426 18.66 -27.182 1.0 14.5 ? 54 A 5 +ATOM 818 O O . GLN A 1 54 ? -11.384 19.302 -27.046 1.0 22.04 ? 54 A 5 +ATOM 819 C CB . GLN A 1 54 ? -14.058 18.808 -29.072 1.0 14.03 ? 54 A 5 +ATOM 820 C CG . GLN A 1 54 ? -15.426 18.149 -29.141 1.0 52.41 ? 54 A 5 +ATOM 821 C CD . GLN A 1 54 ? -15.868 17.867 -30.564 1.0 44.23 ? 54 A 5 +ATOM 822 O OE1 . GLN A 1 54 ? -15.046 17.581 -31.436 1.0 25.33 ? 54 A 5 +ATOM 823 N NE2 . GLN A 1 54 ? -17.171 17.947 -30.806 1.0 63.1 ? 54 A 5 +ATOM 824 H H . GLN A 1 54 ? -13.508 21.241 -28.575 1.0 52.11 ? 54 A 5 +ATOM 825 H HA . GLN A 1 54 ? -14.506 19.1 -27.0 1.0 62.04 ? 54 A 5 +ATOM 826 H HB2 . GLN A 1 54 ? -14.043 19.632 -29.77 1.0 31.24 ? 54 A 5 +ATOM 827 H HB3 . GLN A 1 54 ? -13.317 18.081 -29.371 1.0 25.42 ? 54 A 5 +ATOM 828 H HG2 . GLN A 1 54 ? -15.389 17.214 -28.601 1.0 52.11 ? 54 A 5 +ATOM 829 H HG3 . GLN A 1 54 ? -16.15 18.803 -28.677 1.0 53.52 ? 54 A 5 +ATOM 830 H HE21 . GLN A 1 54 ? -17.766 18.181 -30.063 1.0 45.55 ? 54 A 5 +ATOM 831 H HE22 . GLN A 1 54 ? -17.484 17.77 -31.717 1.0 62.42 ? 54 A 5 +ATOM 832 N N . LEU A 1 55 ? -12.516 17.363 -26.91 1.0 51.34 ? 55 A 5 +ATOM 833 C CA . LEU A 1 55 ? -11.37 16.601 -26.425 1.0 40.45 ? 55 A 5 +ATOM 834 C C . LEU A 1 55 ? -11.024 15.468 -27.386 1.0 63.5 ? 55 A 5 +ATOM 835 O O . LEU A 1 55 ? -11.885 14.672 -27.757 1.0 52.11 ? 55 A 5 +ATOM 836 C CB . LEU A 1 55 ? -11.66 16.036 -25.034 1.0 25.03 ? 55 A 5 +ATOM 837 C CG . LEU A 1 55 ? -12.269 17.011 -24.026 1.0 41.33 ? 55 A 5 +ATOM 838 C CD1 . LEU A 1 55 ? -12.372 16.365 -22.653 1.0 33.24 ? 55 A 5 +ATOM 839 C CD2 . LEU A 1 55 ? -11.447 18.289 -23.957 1.0 52.23 ? 55 A 5 +ATOM 840 H H . LEU A 1 55 ? -13.373 16.905 -27.037 1.0 12.34 ? 55 A 5 +ATOM 841 H HA . LEU A 1 55 ? -10.528 17.274 -26.363 1.0 22.21 ? 55 A 5 +ATOM 842 H HB2 . LEU A 1 55 ? -12.344 15.209 -25.149 1.0 55.1 ? 55 A 5 +ATOM 843 H HB3 . LEU A 1 55 ? -10.727 15.674 -24.624 1.0 51.11 ? 55 A 5 +ATOM 844 H HG . LEU A 1 55 ? -13.268 17.272 -24.347 1.0 72.12 ? 55 A 5 +ATOM 845 H HD11 . LEU A 1 55 ? -11.574 15.649 -22.532 1.0 32.04 ? 55 A 5 +ATOM 846 H HD12 . LEU A 1 55 ? -13.323 15.863 -22.562 1.0 44.35 ? 55 A 5 +ATOM 847 H HD13 . LEU A 1 55 ? -12.292 17.126 -21.891 1.0 32.21 ? 55 A 5 +ATOM 848 H HD21 . LEU A 1 55 ? -11.237 18.527 -22.924 1.0 33.14 ? 55 A 5 +ATOM 849 H HD22 . LEU A 1 55 ? -12.002 19.099 -24.407 1.0 72.01 ? 55 A 5 +ATOM 850 H HD23 . LEU A 1 55 ? -10.518 18.149 -24.49 1.0 74.33 ? 55 A 5 +ATOM 851 N N . GLU A 1 56 ? -9.756 15.401 -27.782 1.0 12.02 ? 56 A 5 +ATOM 852 C CA . GLU A 1 56 ? -9.297 14.364 -28.698 1.0 31.33 ? 56 A 5 +ATOM 853 C C . GLU A 1 56 ? -9.356 12.99 -28.037 1.0 62.51 ? 56 A 5 +ATOM 854 O O . GLU A 1 56 ? -9.821 12.852 -26.906 1.0 51.02 ? 56 A 5 +ATOM 855 C CB . GLU A 1 56 ? -7.869 14.658 -29.162 1.0 62.01 ? 56 A 5 +ATOM 856 C CG . GLU A 1 56 ? -7.679 16.07 -29.69 1.0 21.02 ? 56 A 5 +ATOM 857 C CD . GLU A 1 56 ? -8.797 16.5 -30.62 1.0 1.0 ? 56 A 5 +ATOM 858 O OE1 . GLU A 1 56 ? -9.243 15.666 -31.436 1.0 61.34 ? 56 A 5 +ATOM 859 O OE2 . GLU A 1 56 ? -9.226 17.669 -30.533 1.0 22.01 ? 56 A 5 +ATOM 860 H H . GLU A 1 56 ? -9.116 16.065 -27.451 1.0 72.43 ? 56 A 5 +ATOM 861 H HA . GLU A 1 56 ? -9.952 14.366 -29.556 1.0 4.21 ? 56 A 5 +ATOM 862 H HB2 . GLU A 1 56 ? -7.196 14.514 -28.329 1.0 41.11 ? 56 A 5 +ATOM 863 H HB3 . GLU A 1 56 ? -7.609 13.964 -29.947 1.0 51.02 ? 56 A 5 +ATOM 864 H HG2 . GLU A 1 56 ? -7.645 16.752 -28.854 1.0 71.31 ? 56 A 5 +ATOM 865 H HG3 . GLU A 1 56 ? -6.744 16.116 -30.229 1.0 60.44 ? 56 A 5 +ATOM 866 N N . ASP A 1 57 ? -8.882 11.975 -28.752 1.0 71.03 ? 57 A 5 +ATOM 867 C CA . ASP A 1 57 ? -8.879 10.611 -28.236 1.0 63.41 ? 57 A 5 +ATOM 868 C C . ASP A 1 57 ? -7.821 10.443 -27.151 1.0 21.4 ? 57 A 5 +ATOM 869 O O . ASP A 1 57 ? -7.934 9.57 -26.29 1.0 43.31 ? 57 A 5 +ATOM 870 C CB . ASP A 1 57 ? -8.629 9.615 -29.37 1.0 45.31 ? 57 A 5 +ATOM 871 C CG . ASP A 1 57 ? -9.65 9.737 -30.484 1.0 55.43 ? 57 A 5 +ATOM 872 O OD1 . ASP A 1 57 ? -10.832 9.418 -30.242 1.0 72.35 ? 57 A 5 +ATOM 873 O OD2 . ASP A 1 57 ? -9.266 10.151 -31.598 1.0 15.11 ? 57 A 5 +ATOM 874 H H . ASP A 1 57 ? -8.524 12.148 -29.648 1.0 23.12 ? 57 A 5 +ATOM 875 H HA . ASP A 1 57 ? -9.851 10.417 -27.807 1.0 62.14 ? 57 A 5 +ATOM 876 H HB2 . ASP A 1 57 ? -7.647 9.792 -29.785 1.0 24.44 ? 57 A 5 +ATOM 877 H HB3 . ASP A 1 57 ? -8.672 8.611 -28.974 1.0 64.03 ? 57 A 5 +ATOM 878 N N . SER A 1 58 ? -6.792 11.283 -27.199 1.0 32.51 ? 58 A 5 +ATOM 879 C CA . SER A 1 58 ? -5.71 11.224 -26.223 1.0 62.24 ? 58 A 5 +ATOM 880 C C . SER A 1 58 ? -5.746 12.437 -25.299 1.0 2.12 ? 58 A 5 +ATOM 881 O O . SER A 1 58 ? -4.872 12.61 -24.449 1.0 12.21 ? 58 A 5 +ATOM 882 C CB . SER A 1 58 ? -4.357 11.148 -26.933 1.0 65.11 ? 58 A 5 +ATOM 883 O OG . SER A 1 58 ? -3.312 10.89 -26.012 1.0 34.21 ? 58 A 5 +ATOM 884 H H . SER A 1 58 ? -6.759 11.957 -27.91 1.0 21.03 ? 58 A 5 +ATOM 885 H HA . SER A 1 58 ? -5.847 10.331 -25.631 1.0 33.55 ? 58 A 5 +ATOM 886 H HB2 . SER A 1 58 ? -4.381 10.355 -27.664 1.0 31.42 ? 58 A 5 +ATOM 887 H HB3 . SER A 1 58 ? -4.161 12.088 -27.428 1.0 40.4 ? 58 A 5 +ATOM 888 H HG . SER A 1 58 ? -2.517 11.35 -26.293 1.0 10.23 ? 58 A 5 +ATOM 889 N N . ASN A 1 59 ? -6.762 13.276 -25.472 1.0 35.41 ? 59 A 5 +ATOM 890 C CA . ASN A 1 59 ? -6.912 14.474 -24.655 1.0 52.34 ? 59 A 5 +ATOM 891 C C . ASN A 1 59 ? -7.634 14.155 -23.349 1.0 4.01 ? 59 A 5 +ATOM 892 O O . ASN A 1 59 ? -8.831 14.405 -23.213 1.0 42.21 ? 59 A 5 +ATOM 893 C CB . ASN A 1 59 ? -7.68 15.55 -25.426 1.0 21.1 ? 59 A 5 +ATOM 894 C CG . ASN A 1 59 ? -7.359 16.95 -24.939 1.0 14.54 ? 59 A 5 +ATOM 895 O OD1 . ASN A 1 59 ? -6.91 17.139 -23.809 1.0 24.42 ? 59 A 5 +ATOM 896 N ND2 . ASN A 1 59 ? -7.589 17.94 -25.794 1.0 14.44 ? 59 A 5 +ATOM 897 H H . ASN A 1 59 ? -7.427 13.084 -26.166 1.0 5.51 ? 59 A 5 +ATOM 898 H HA . ASN A 1 59 ? -5.924 14.844 -24.425 1.0 74.51 ? 59 A 5 +ATOM 899 H HB2 . ASN A 1 59 ? -7.423 15.486 -26.473 1.0 43.43 ? 59 A 5 +ATOM 900 H HB3 . ASN A 1 59 ? -8.74 15.381 -25.308 1.0 11.21 ? 59 A 5 +ATOM 901 H HD21 . ASN A 1 59 ? -7.947 17.715 -26.678 1.0 21.33 ? 59 A 5 +ATOM 902 H HD22 . ASN A 1 59 ? -7.389 18.855 -25.506 1.0 12.0 ? 59 A 5 +ATOM 903 N N . ALA A 1 60 ? -6.897 13.602 -22.391 1.0 13.11 ? 60 A 5 +ATOM 904 C CA . ALA A 1 60 ? -7.466 13.252 -21.096 1.0 35.51 ? 60 A 5 +ATOM 905 C C . ALA A 1 60 ? -6.383 12.785 -20.129 1.0 74.01 ? 60 A 5 +ATOM 906 O O . ALA A 1 60 ? -5.922 13.55 -19.283 1.0 74.24 ? 60 A 5 +ATOM 907 C CB . ALA A 1 60 ? -8.529 12.176 -21.26 1.0 64.13 ? 60 A 5 +ATOM 908 H H . ALA A 1 60 ? -5.948 13.428 -22.56 1.0 31.12 ? 60 A 5 +ATOM 909 H HA . ALA A 1 60 ? -7.941 14.134 -20.69 1.0 20.01 ? 60 A 5 +ATOM 910 H HB1 . ALA A 1 60 ? -9.329 12.554 -21.88 1.0 72.33 ? 60 A 5 +ATOM 911 H HB2 . ALA A 1 60 ? -8.092 11.306 -21.726 1.0 25.02 ? 60 A 5 +ATOM 912 H HB3 . ALA A 1 60 ? -8.922 11.907 -20.291 1.0 51.02 ? 60 A 5 +ATOM 913 N N . MET A 1 61 ? -5.983 11.525 -20.26 1.0 21.52 ? 61 A 5 +ATOM 914 C CA . MET A 1 61 ? -4.953 10.956 -19.398 1.0 32.03 ? 61 A 5 +ATOM 915 C C . MET A 1 61 ? -3.574 11.485 -19.777 1.0 55.14 ? 61 A 5 +ATOM 916 O O . MET A 1 61 ? -2.887 12.097 -18.958 1.0 73.23 ? 61 A 5 +ATOM 917 C CB . MET A 1 61 ? -4.969 9.429 -19.487 1.0 33.12 ? 61 A 5 +ATOM 918 C CG . MET A 1 61 ? -6.368 8.838 -19.546 1.0 10.31 ? 61 A 5 +ATOM 919 S SD . MET A 1 61 ? -7.46 9.511 -18.278 1.0 3.45 ? 61 A 5 +ATOM 920 C CE . MET A 1 61 ? -9.022 9.532 -19.154 1.0 11.34 ? 61 A 5 +ATOM 921 H H . MET A 1 61 ? -6.388 10.963 -20.954 1.0 44.35 ? 61 A 5 +ATOM 922 H HA . MET A 1 61 ? -5.172 11.251 -18.382 1.0 14.21 ? 61 A 5 +ATOM 923 H HB2 . MET A 1 61 ? -4.436 9.127 -20.376 1.0 14.23 ? 61 A 5 +ATOM 924 H HB3 . MET A 1 61 ? -4.467 9.024 -18.621 1.0 0.24 ? 61 A 5 +ATOM 925 H HG2 . MET A 1 61 ? -6.793 9.049 -20.515 1.0 62.14 ? 61 A 5 +ATOM 926 H HG3 . MET A 1 61 ? -6.298 7.769 -19.411 1.0 32.0 ? 61 A 5 +ATOM 927 H HE1 . MET A 1 61 ? -8.846 9.376 -20.208 1.0 54.23 ? 61 A 5 +ATOM 928 H HE2 . MET A 1 61 ? -9.658 8.745 -18.775 1.0 64.31 ? 61 A 5 +ATOM 929 H HE3 . MET A 1 61 ? -9.504 10.487 -19.007 1.0 24.11 ? 61 A 5 +ATOM 930 N N . SER A 1 62 ? -3.174 11.246 -21.021 1.0 73.15 ? 62 A 5 +ATOM 931 C CA . SER A 1 62 ? -1.874 11.695 -21.507 1.0 12.22 ? 62 A 5 +ATOM 932 C C . SER A 1 62 ? -1.736 13.208 -21.369 1.0 13.52 ? 62 A 5 +ATOM 933 O O . SER A 1 62 ? -0.643 13.723 -21.13 1.0 42.51 ? 62 A 5 +ATOM 934 C CB . SER A 1 62 ? -1.683 11.285 -22.969 1.0 62.33 ? 62 A 5 +ATOM 935 O OG . SER A 1 62 ? -0.771 12.149 -23.625 1.0 14.13 ? 62 A 5 +ATOM 936 H H . SER A 1 62 ? -3.767 10.753 -21.627 1.0 74.25 ? 62 A 5 +ATOM 937 H HA . SER A 1 62 ? -1.114 11.219 -20.906 1.0 74.15 ? 62 A 5 +ATOM 938 H HB2 . SER A 1 62 ? -1.3 10.277 -23.01 1.0 54.41 ? 62 A 5 +ATOM 939 H HB3 . SER A 1 62 ? -2.634 11.33 -23.479 1.0 23.45 ? 62 A 5 +ATOM 940 H HG . SER A 1 62 ? 0.055 11.685 -23.778 1.0 1.23 ? 62 A 5 +ATOM 941 N N . ASP A 1 63 ? -2.851 13.914 -21.52 1.0 34.33 ? 63 A 5 +ATOM 942 C CA . ASP A 1 63 ? -2.856 15.368 -21.411 1.0 10.21 ? 63 A 5 +ATOM 943 C C . ASP A 1 63 ? -2.454 15.809 -20.007 1.0 63.54 ? 63 A 5 +ATOM 944 O O . ASP A 1 63 ? -1.964 16.922 -19.811 1.0 31.33 ? 63 A 5 +ATOM 945 C CB . ASP A 1 63 ? -4.239 15.922 -21.757 1.0 21.1 ? 63 A 5 +ATOM 946 C CG . ASP A 1 63 ? -4.184 17.36 -22.232 1.0 12.2 ? 63 A 5 +ATOM 947 O OD1 . ASP A 1 63 ? -3.598 17.608 -23.307 1.0 53.24 ? 63 A 5 +ATOM 948 O OD2 . ASP A 1 63 ? -4.728 18.238 -21.53 1.0 3.13 ? 63 A 5 +ATOM 949 H H . ASP A 1 63 ? -3.691 13.445 -21.709 1.0 14.4 ? 63 A 5 +ATOM 950 H HA . ASP A 1 63 ? -2.137 15.756 -22.116 1.0 72.42 ? 63 A 5 +ATOM 951 H HB2 . ASP A 1 63 ? -4.676 15.32 -22.54 1.0 63.34 ? 63 A 5 +ATOM 952 H HB3 . ASP A 1 63 ? -4.868 15.875 -20.88 1.0 44.51 ? 63 A 5 +ATOM 953 N N . TYR A 1 64 ? -2.665 14.93 -19.033 1.0 43.15 ? 64 A 5 +ATOM 954 C CA . TYR A 1 64 ? -2.328 15.23 -17.647 1.0 74.44 ? 64 A 5 +ATOM 955 C C . TYR A 1 64 ? -3.401 16.103 -17.002 1.0 35.31 ? 64 A 5 +ATOM 956 O O . TYR A 1 64 ? -3.127 16.851 -16.064 1.0 63.11 ? 64 A 5 +ATOM 957 C CB . TYR A 1 64 ? -0.971 15.932 -17.57 1.0 41.31 ? 64 A 5 +ATOM 958 C CG . TYR A 1 64 ? -0.087 15.421 -16.455 1.0 35.31 ? 64 A 5 +ATOM 959 C CD1 . TYR A 1 64 ? -0.606 15.174 -15.189 1.0 10.21 ? 64 A 5 +ATOM 960 C CD2 . TYR A 1 64 ? 1.266 15.186 -16.665 1.0 61.0 ? 64 A 5 +ATOM 961 C CE1 . TYR A 1 64 ? 0.198 14.707 -14.167 1.0 31.32 ? 64 A 5 +ATOM 962 C CE2 . TYR A 1 64 ? 2.076 14.719 -15.649 1.0 3.01 ? 64 A 5 +ATOM 963 C CZ . TYR A 1 64 ? 1.538 14.481 -14.402 1.0 35.43 ? 64 A 5 +ATOM 964 O OH . TYR A 1 64 ? 2.342 14.017 -13.386 1.0 23.32 ? 64 A 5 +ATOM 965 H H . TYR A 1 64 ? -3.058 14.06 -19.252 1.0 10.22 ? 64 A 5 +ATOM 966 H HA . TYR A 1 64 ? -2.269 14.295 -17.11 1.0 40.51 ? 64 A 5 +ATOM 967 H HB2 . TYR A 1 64 ? -0.445 15.787 -18.501 1.0 75.32 ? 64 A 5 +ATOM 968 H HB3 . TYR A 1 64 ? -1.128 16.989 -17.412 1.0 32.34 ? 64 A 5 +ATOM 969 H HD1 . TYR A 1 64 ? -1.656 15.352 -15.009 1.0 1.35 ? 64 A 5 +ATOM 970 H HD2 . TYR A 1 64 ? 1.685 15.374 -17.643 1.0 32.41 ? 64 A 5 +ATOM 971 H HE1 . TYR A 1 64 ? -0.224 14.521 -13.19 1.0 52.21 ? 64 A 5 +ATOM 972 H HE2 . TYR A 1 64 ? 3.126 14.542 -15.833 1.0 43.14 ? 64 A 5 +ATOM 973 H HH . TYR A 1 64 ? 3.158 13.671 -13.757 1.0 23.33 ? 64 A 5 +ATOM 974 N N . ASN A 1 65 ? -4.624 15.999 -17.512 1.0 61.21 ? 65 A 5 +ATOM 975 C CA . ASN A 1 65 ? -5.739 16.778 -16.987 1.0 70.22 ? 65 A 5 +ATOM 976 C C . ASN A 1 65 ? -6.75 15.875 -16.286 1.0 21.44 ? 65 A 5 +ATOM 977 O O . ASN A 1 65 ? -7.866 16.296 -15.98 1.0 22.24 ? 65 A 5 +ATOM 978 C CB . ASN A 1 65 ? -6.425 17.551 -18.115 1.0 30.31 ? 65 A 5 +ATOM 979 C CG . ASN A 1 65 ? -7.301 18.675 -17.597 1.0 75.23 ? 65 A 5 +ATOM 980 O OD1 . ASN A 1 65 ? -6.877 19.471 -16.758 1.0 74.2 ? 65 A 5 +ATOM 981 N ND2 . ASN A 1 65 ? -8.529 18.746 -18.095 1.0 12.4 ? 65 A 5 +ATOM 982 H H . ASN A 1 65 ? -4.78 15.385 -18.26 1.0 72.01 ? 65 A 5 +ATOM 983 H HA . ASN A 1 65 ? -5.344 17.481 -16.269 1.0 43.44 ? 65 A 5 +ATOM 984 H HB2 . ASN A 1 65 ? -5.671 17.977 -18.761 1.0 12.24 ? 65 A 5 +ATOM 985 H HB3 . ASN A 1 65 ? -7.041 16.873 -18.686 1.0 73.02 ? 65 A 5 +ATOM 986 H HD21 . ASN A 1 65 ? -8.799 18.078 -18.76 1.0 23.44 ? 65 A 5 +ATOM 987 H HD22 . ASN A 1 65 ? -9.117 19.463 -17.778 1.0 32.24 ? 65 A 5 +ATOM 988 N N . VAL A 1 66 ? -6.352 14.632 -16.035 1.0 11.4 ? 66 A 5 +ATOM 989 C CA . VAL A 1 66 ? -7.222 13.67 -15.369 1.0 70.45 ? 66 A 5 +ATOM 990 C C . VAL A 1 66 ? -7.037 13.717 -13.857 1.0 73.11 ? 66 A 5 +ATOM 991 O O . VAL A 1 66 ? -5.925 13.563 -13.353 1.0 33.12 ? 66 A 5 +ATOM 992 C CB . VAL A 1 66 ? -6.955 12.236 -15.864 1.0 40.11 ? 66 A 5 +ATOM 993 C CG1 . VAL A 1 66 ? -5.524 11.822 -15.554 1.0 32.21 ? 66 A 5 +ATOM 994 C CG2 . VAL A 1 66 ? -7.947 11.265 -15.241 1.0 25.13 ? 66 A 5 +ATOM 995 H H . VAL A 1 66 ? -5.451 14.356 -16.304 1.0 25.31 ? 66 A 5 +ATOM 996 H HA . VAL A 1 66 ? -8.245 13.925 -15.606 1.0 44.24 ? 66 A 5 +ATOM 997 H HB . VAL A 1 66 ? -7.088 12.216 -16.936 1.0 65.05 ? 66 A 5 +ATOM 998 H HG11 . VAL A 1 66 ? -5.422 11.648 -14.493 1.0 62.5 ? 66 A 5 +ATOM 999 H HG12 . VAL A 1 66 ? -5.287 10.916 -16.093 1.0 4.5 ? 66 A 5 +ATOM 1000 H HG13 . VAL A 1 66 ? -4.849 12.609 -15.856 1.0 12.32 ? 66 A 5 +ATOM 1001 H HG21 . VAL A 1 66 ? -8.951 11.553 -15.513 1.0 23.4 ? 66 A 5 +ATOM 1002 H HG22 . VAL A 1 66 ? -7.747 10.267 -15.602 1.0 64.2 ? 66 A 5 +ATOM 1003 H HG23 . VAL A 1 66 ? -7.845 11.286 -14.166 1.0 74.31 ? 66 A 5 +ATOM 1004 N N . GLN A 1 67 ? -8.135 13.93 -13.139 1.0 5.43 ? 67 A 5 +ATOM 1005 C CA . GLN A 1 67 ? -8.093 13.998 -11.683 1.0 15.5 ? 67 A 5 +ATOM 1006 C C . GLN A 1 67 ? -9.034 12.97 -11.063 1.0 62.54 ? 67 A 5 +ATOM 1007 O O . GLN A 1 67 ? -9.674 12.192 -11.771 1.0 44.01 ? 67 A 5 +ATOM 1008 C CB . GLN A 1 67 ? -8.468 15.402 -11.205 1.0 35.11 ? 67 A 5 +ATOM 1009 C CG . GLN A 1 67 ? -9.873 15.825 -11.602 1.0 11.21 ? 67 A 5 +ATOM 1010 C CD . GLN A 1 67 ? -10.524 16.726 -10.572 1.0 34.44 ? 67 A 5 +ATOM 1011 O OE1 . GLN A 1 67 ? -10.509 16.434 -9.376 1.0 41.54 ? 67 A 5 +ATOM 1012 N NE2 . GLN A 1 67 ? -11.101 17.831 -11.031 1.0 50.51 ? 67 A 5 +ATOM 1013 H H . GLN A 1 67 ? -8.992 14.046 -13.598 1.0 54.23 ? 67 A 5 +ATOM 1014 H HA . GLN A 1 67 ? -7.084 13.778 -11.369 1.0 21.13 ? 67 A 5 +ATOM 1015 H HB2 . GLN A 1 67 ? -8.396 15.434 -10.128 1.0 61.05 ? 67 A 5 +ATOM 1016 H HB3 . GLN A 1 67 ? -7.77 16.11 -11.626 1.0 21.05 ? 67 A 5 +ATOM 1017 H HG2 . GLN A 1 67 ? -9.823 16.356 -12.542 1.0 63.24 ? 67 A 5 +ATOM 1018 H HG3 . GLN A 1 67 ? -10.481 14.941 -11.722 1.0 63.02 ? 67 A 5 +ATOM 1019 H HE21 . GLN A 1 67 ? -11.075 17.999 -11.997 1.0 0.12 ? 67 A 5 +ATOM 1020 H HE22 . GLN A 1 67 ? -11.53 18.431 -10.387 1.0 72.41 ? 67 A 5 +ATOM 1021 N N . LYS A 1 68 ? -9.112 12.971 -9.737 1.0 63.33 ? 68 A 5 +ATOM 1022 C CA . LYS A 1 68 ? -9.975 12.039 -9.02 1.0 34.0 ? 68 A 5 +ATOM 1023 C C . LYS A 1 68 ? -11.444 12.315 -9.323 1.0 33.21 ? 68 A 5 +ATOM 1024 O O . LYS A 1 68 ? -12.268 11.401 -9.328 1.0 33.01 ? 68 A 5 +ATOM 1025 C CB . LYS A 1 68 ? -9.727 12.138 -7.513 1.0 41.41 ? 68 A 5 +ATOM 1026 C CG . LYS A 1 68 ? -10.22 10.93 -6.735 1.0 61.44 ? 68 A 5 +ATOM 1027 C CD . LYS A 1 68 ? -9.39 9.694 -7.04 1.0 43.41 ? 68 A 5 +ATOM 1028 C CE . LYS A 1 68 ? -8.071 9.707 -6.282 1.0 23.43 ? 68 A 5 +ATOM 1029 N NZ . LYS A 1 68 ? -8.279 9.76 -4.808 1.0 52.05 ? 68 A 5 +ATOM 1030 H H . LYS A 1 68 ? -8.577 13.615 -9.227 1.0 75.53 ? 68 A 5 +ATOM 1031 H HA . LYS A 1 68 ? -9.733 11.04 -9.352 1.0 31.4 ? 68 A 5 +ATOM 1032 H HB2 . LYS A 1 68 ? -8.666 12.242 -7.341 1.0 51.5 ? 68 A 5 +ATOM 1033 H HB3 . LYS A 1 68 ? -10.232 13.014 -7.134 1.0 62.4 ? 68 A 5 +ATOM 1034 H HG2 . LYS A 1 68 ? -10.155 11.142 -5.678 1.0 22.33 ? 68 A 5 +ATOM 1035 H HG3 . LYS A 1 68 ? -11.249 10.736 -7.003 1.0 45.02 ? 68 A 5 +ATOM 1036 H HD2 . LYS A 1 68 ? -9.948 8.816 -6.752 1.0 14.2 ? 68 A 5 +ATOM 1037 H HD3 . LYS A 1 68 ? -9.185 9.661 -8.101 1.0 13.53 ? 68 A 5 +ATOM 1038 H HE2 . LYS A 1 68 ? -7.521 8.812 -6.527 1.0 43.13 ? 68 A 5 +ATOM 1039 H HE3 . LYS A 1 68 ? -7.504 10.574 -6.588 1.0 63.42 ? 68 A 5 +ATOM 1040 H HZ1 . LYS A 1 68 ? -7.662 9.07 -4.335 1.0 1.54 ? 68 A 5 +ATOM 1041 H HZ2 . LYS A 1 68 ? -9.269 9.538 -4.579 1.0 73.32 ? 68 A 5 +ATOM 1042 H HZ3 . LYS A 1 68 ? -8.057 10.71 -4.45 1.0 23.44 ? 68 A 5 +ATOM 1043 N N . GLU A 1 69 ? -11.764 13.58 -9.577 1.0 51.1 ? 69 A 5 +ATOM 1044 C CA . GLU A 1 69 ? -13.135 13.974 -9.882 1.0 15.41 ? 69 A 5 +ATOM 1045 C C . GLU A 1 69 ? -13.159 15.175 -10.823 1.0 20.25 ? 69 A 5 +ATOM 1046 O O . GLU A 1 69 ? -13.301 16.317 -10.386 1.0 55.15 ? 69 A 5 +ATOM 1047 C CB . GLU A 1 69 ? -13.892 14.306 -8.594 1.0 42.14 ? 69 A 5 +ATOM 1048 C CG . GLU A 1 69 ? -13.102 15.176 -7.631 1.0 32.44 ? 69 A 5 +ATOM 1049 C CD . GLU A 1 69 ? -13.966 16.208 -6.933 1.0 60.3 ? 69 A 5 +ATOM 1050 O OE1 . GLU A 1 69 ? -14.856 16.783 -7.595 1.0 52.11 ? 69 A 5 +ATOM 1051 O OE2 . GLU A 1 69 ? -13.753 16.44 -5.725 1.0 33.22 ? 69 A 5 +ATOM 1052 H H . GLU A 1 69 ? -11.063 14.264 -9.559 1.0 51.55 ? 69 A 5 +ATOM 1053 H HA . GLU A 1 69 ? -13.619 13.141 -10.369 1.0 21.13 ? 69 A 5 +ATOM 1054 H HB2 . GLU A 1 69 ? -14.804 14.825 -8.851 1.0 70.35 ? 69 A 5 +ATOM 1055 H HB3 . GLU A 1 69 ? -14.142 13.384 -8.091 1.0 25.14 ? 69 A 5 +ATOM 1056 H HG2 . GLU A 1 69 ? -12.649 14.543 -6.882 1.0 60.54 ? 69 A 5 +ATOM 1057 H HG3 . GLU A 1 69 ? -12.327 15.69 -8.182 1.0 2.43 ? 69 A 5 +ATOM 1058 N N . SER A 1 70 ? -13.017 14.908 -12.117 1.0 51.41 ? 70 A 5 +ATOM 1059 C CA . SER A 1 70 ? -13.018 15.967 -13.121 1.0 50.24 ? 70 A 5 +ATOM 1060 C C . SER A 1 70 ? -14.389 16.09 -13.779 1.0 72.1 ? 70 A 5 +ATOM 1061 O O . SER A 1 70 ? -14.974 15.098 -14.215 1.0 13.02 ? 70 A 5 +ATOM 1062 C CB . SER A 1 70 ? -11.952 15.691 -14.184 1.0 75.43 ? 70 A 5 +ATOM 1063 O OG . SER A 1 70 ? -12.479 15.857 -15.489 1.0 45.33 ? 70 A 5 +ATOM 1064 H H . SER A 1 70 ? -12.907 13.977 -12.404 1.0 42.55 ? 70 A 5 +ATOM 1065 H HA . SER A 1 70 ? -12.785 16.896 -12.623 1.0 61.25 ? 70 A 5 +ATOM 1066 H HB2 . SER A 1 70 ? -11.13 16.377 -14.051 1.0 1.23 ? 70 A 5 +ATOM 1067 H HB3 . SER A 1 70 ? -11.596 14.677 -14.078 1.0 50.33 ? 70 A 5 +ATOM 1068 H HG . SER A 1 70 ? -11.919 16.455 -15.987 1.0 14.24 ? 70 A 5 +ATOM 1069 N N . THR A 1 71 ? -14.897 17.317 -13.847 1.0 52.55 ? 71 A 5 +ATOM 1070 C CA . THR A 1 71 ? -16.199 17.572 -14.449 1.0 43.33 ? 71 A 5 +ATOM 1071 C C . THR A 1 71 ? -16.059 17.958 -15.917 1.0 63.44 ? 71 A 5 +ATOM 1072 O O . THR A 1 71 ? -15.494 19.003 -16.244 1.0 13.52 ? 71 A 5 +ATOM 1073 C CB . THR A 1 71 ? -16.953 18.691 -13.706 1.0 4.41 ? 71 A 5 +ATOM 1074 O OG1 . THR A 1 71 ? -16.033 19.704 -13.282 1.0 4.41 ? 71 A 5 +ATOM 1075 C CG2 . THR A 1 71 ? -17.694 18.135 -12.499 1.0 4.35 ? 71 A 5 +ATOM 1076 H H . THR A 1 71 ? -14.383 18.067 -13.481 1.0 14.04 ? 71 A 5 +ATOM 1077 H HA . THR A 1 71 ? -16.783 16.666 -14.379 1.0 24.13 ? 71 A 5 +ATOM 1078 H HB . THR A 1 71 ? -17.673 19.13 -14.381 1.0 70.41 ? 71 A 5 +ATOM 1079 H HG1 . THR A 1 71 ? -16.384 20.569 -13.506 1.0 53.11 ? 71 A 5 +ATOM 1080 H HG21 . THR A 1 71 ? -17.775 18.901 -11.743 1.0 12.42 ? 71 A 5 +ATOM 1081 H HG22 . THR A 1 71 ? -17.15 17.292 -12.1 1.0 75.2 ? 71 A 5 +ATOM 1082 H HG23 . THR A 1 71 ? -18.682 17.818 -12.798 1.0 31.12 ? 71 A 5 +ATOM 1083 N N . LEU A 1 72 ? -16.578 17.111 -16.799 1.0 74.32 ? 72 A 5 +ATOM 1084 C CA . LEU A 1 72 ? -16.511 17.364 -18.234 1.0 62.12 ? 72 A 5 +ATOM 1085 C C . LEU A 1 72 ? -17.903 17.328 -18.859 1.0 14.1 ? 72 A 5 +ATOM 1086 O O . LEU A 1 72 ? -18.802 16.651 -18.358 1.0 22.33 ? 72 A 5 +ATOM 1087 C CB . LEU A 1 72 ? -15.609 16.332 -18.913 1.0 54.24 ? 72 A 5 +ATOM 1088 C CG . LEU A 1 72 ? -16.316 15.127 -19.533 1.0 12.34 ? 72 A 5 +ATOM 1089 C CD1 . LEU A 1 72 ? -16.606 15.377 -21.005 1.0 71.53 ? 72 A 5 +ATOM 1090 C CD2 . LEU A 1 72 ? -15.477 13.869 -19.36 1.0 45.31 ? 72 A 5 +ATOM 1091 H H . LEU A 1 72 ? -17.016 16.295 -16.479 1.0 40.44 ? 72 A 5 +ATOM 1092 H HA . LEU A 1 72 ? -16.091 18.348 -18.378 1.0 22.23 ? 72 A 5 +ATOM 1093 H HB2 . LEU A 1 72 ? -15.063 16.835 -19.696 1.0 24.33 ? 72 A 5 +ATOM 1094 H HB3 . LEU A 1 72 ? -14.913 15.964 -18.172 1.0 64.44 ? 72 A 5 +ATOM 1095 H HG . LEU A 1 72 ? -17.26 14.972 -19.029 1.0 60.22 ? 72 A 5 +ATOM 1096 H HD11 . LEU A 1 72 ? -16.193 14.573 -21.595 1.0 22.12 ? 72 A 5 +ATOM 1097 H HD12 . LEU A 1 72 ? -16.156 16.312 -21.306 1.0 11.12 ? 72 A 5 +ATOM 1098 H HD13 . LEU A 1 72 ? -17.674 15.426 -21.158 1.0 74.11 ? 72 A 5 +ATOM 1099 H HD21 . LEU A 1 72 ? -14.429 14.124 -19.417 1.0 45.11 ? 72 A 5 +ATOM 1100 H HD22 . LEU A 1 72 ? -15.719 13.164 -20.142 1.0 64.51 ? 72 A 5 +ATOM 1101 H HD23 . LEU A 1 72 ? -15.689 13.425 -18.398 1.0 15.53 ? 72 A 5 +ATOM 1102 N N . HIS A 1 73 ? -18.072 18.059 -19.956 1.0 22.1 ? 73 A 5 +ATOM 1103 C CA . HIS A 1 73 ? -19.354 18.109 -20.65 1.0 43.22 ? 73 A 5 +ATOM 1104 C C . HIS A 1 73 ? -19.371 17.14 -21.829 1.0 1.12 ? 73 A 5 +ATOM 1105 O O . HIS A 1 73 ? -18.554 17.246 -22.745 1.0 41.41 ? 73 A 5 +ATOM 1106 C CB . HIS A 1 73 ? -19.638 19.529 -21.139 1.0 34.11 ? 73 A 5 +ATOM 1107 C CG . HIS A 1 73 ? -21.061 19.747 -21.552 1.0 25.31 ? 73 A 5 +ATOM 1108 N ND1 . HIS A 1 73 ? -21.778 20.876 -21.217 1.0 22.31 ? 73 A 5 +ATOM 1109 C CD2 . HIS A 1 73 ? -21.901 18.972 -22.279 1.0 30.12 ? 73 A 5 +ATOM 1110 C CE1 . HIS A 1 73 ? -22.997 20.786 -21.719 1.0 74.03 ? 73 A 5 +ATOM 1111 N NE2 . HIS A 1 73 ? -23.097 19.64 -22.368 1.0 22.32 ? 73 A 5 +ATOM 1112 H H . HIS A 1 73 ? -17.318 18.577 -20.306 1.0 41.1 ? 73 A 5 +ATOM 1113 H HA . HIS A 1 73 ? -20.122 17.817 -19.95 1.0 23.25 ? 73 A 5 +ATOM 1114 H HB2 . HIS A 1 73 ? -19.414 20.227 -20.346 1.0 51.13 ? 73 A 5 +ATOM 1115 H HB3 . HIS A 1 73 ? -19.008 19.744 -21.99 1.0 64.13 ? 73 A 5 +ATOM 1116 H HD1 . HIS A 1 73 ? -21.444 21.63 -20.689 1.0 63.31 ? 73 A 5 +ATOM 1117 H HD2 . HIS A 1 73 ? -21.672 18.007 -22.709 1.0 71.43 ? 73 A 5 +ATOM 1118 H HE1 . HIS A 1 73 ? -23.779 21.523 -21.616 1.0 3.34 ? 73 A 5 +ATOM 1119 N N . LEU A 1 74 ? -20.305 16.196 -21.799 1.0 31.4 ? 74 A 5 +ATOM 1120 C CA . LEU A 1 74 ? -20.427 15.207 -22.865 1.0 41.22 ? 74 A 5 +ATOM 1121 C C . LEU A 1 74 ? -21.727 15.4 -23.639 1.0 21.0 ? 74 A 5 +ATOM 1122 O O . LEU A 1 74 ? -22.818 15.251 -23.089 1.0 70.53 ? 74 A 5 +ATOM 1123 C CB . LEU A 1 74 ? -20.371 13.793 -22.284 1.0 42.32 ? 74 A 5 +ATOM 1124 C CG . LEU A 1 74 ? -20.856 12.671 -23.203 1.0 13.02 ? 74 A 5 +ATOM 1125 C CD1 . LEU A 1 74 ? -19.964 12.563 -24.43 1.0 50.12 ? 74 A 5 +ATOM 1126 C CD2 . LEU A 1 74 ? -20.896 11.347 -22.452 1.0 22.4 ? 74 A 5 +ATOM 1127 H H . LEU A 1 74 ? -20.927 16.162 -21.043 1.0 53.04 ? 74 A 5 +ATOM 1128 H HA . LEU A 1 74 ? -19.596 15.343 -23.54 1.0 65.43 ? 74 A 5 +ATOM 1129 H HB2 . LEU A 1 74 ? -19.346 13.584 -22.02 1.0 22.02 ? 74 A 5 +ATOM 1130 H HB3 . LEU A 1 74 ? -20.981 13.778 -21.392 1.0 20.31 ? 74 A 5 +ATOM 1131 H HG . LEU A 1 74 ? -21.859 12.896 -23.539 1.0 34.12 ? 74 A 5 +ATOM 1132 H HD11 . LEU A 1 74 ? -19.044 13.1 -24.254 1.0 33.01 ? 74 A 5 +ATOM 1133 H HD12 . LEU A 1 74 ? -20.472 12.988 -25.283 1.0 1.34 ? 74 A 5 +ATOM 1134 H HD13 . LEU A 1 74 ? -19.743 11.523 -24.624 1.0 63.14 ? 74 A 5 +ATOM 1135 H HD21 . LEU A 1 74 ? -21.407 10.609 -23.052 1.0 12.32 ? 74 A 5 +ATOM 1136 H HD22 . LEU A 1 74 ? -21.422 11.48 -21.518 1.0 54.43 ? 74 A 5 +ATOM 1137 H HD23 . LEU A 1 74 ? -19.887 11.015 -22.254 1.0 14.02 ? 74 A 5 +ATOM 1138 N N . VAL A 1 75 ? -21.603 15.73 -24.921 1.0 43.5 ? 75 A 5 +ATOM 1139 C CA . VAL A 1 75 ? -22.768 15.939 -25.773 1.0 52.32 ? 75 A 5 +ATOM 1140 C C . VAL A 1 75 ? -22.875 14.851 -26.835 1.0 61.15 ? 75 A 5 +ATOM 1141 O O . VAL A 1 75 ? -21.869 14.414 -27.396 1.0 54.31 ? 75 A 5 +ATOM 1142 C CB . VAL A 1 75 ? -22.717 17.314 -26.465 1.0 24.5 ? 75 A 5 +ATOM 1143 C CG1 . VAL A 1 75 ? -23.954 17.527 -27.323 1.0 55.3 ? 75 A 5 +ATOM 1144 C CG2 . VAL A 1 75 ? -22.576 18.424 -25.434 1.0 64.14 ? 75 A 5 +ATOM 1145 H H . VAL A 1 75 ? -20.707 15.834 -25.303 1.0 70.11 ? 75 A 5 +ATOM 1146 H HA . VAL A 1 75 ? -23.649 15.907 -25.148 1.0 60.52 ? 75 A 5 +ATOM 1147 H HB . VAL A 1 75 ? -21.85 17.338 -27.109 1.0 44.41 ? 75 A 5 +ATOM 1148 H HG11 . VAL A 1 75 ? -24.205 18.577 -27.339 1.0 31.54 ? 75 A 5 +ATOM 1149 H HG12 . VAL A 1 75 ? -23.757 17.187 -28.33 1.0 61.34 ? 75 A 5 +ATOM 1150 H HG13 . VAL A 1 75 ? -24.78 16.967 -26.909 1.0 54.52 ? 75 A 5 +ATOM 1151 H HG21 . VAL A 1 75 ? -23.128 18.162 -24.544 1.0 5.24 ? 75 A 5 +ATOM 1152 H HG22 . VAL A 1 75 ? -21.533 18.554 -25.186 1.0 61.35 ? 75 A 5 +ATOM 1153 H HG23 . VAL A 1 75 ? -22.966 19.346 -25.841 1.0 24.43 ? 75 A 5 +ATOM 1154 N N . LEU A 1 76 ? -24.1 14.418 -27.109 1.0 35.1 ? 76 A 5 +ATOM 1155 C CA . LEU A 1 76 ? -24.34 13.38 -28.105 1.0 22.53 ? 76 A 5 +ATOM 1156 C C . LEU A 1 76 ? -25.324 13.861 -29.167 1.0 2.14 ? 76 A 5 +ATOM 1157 O O . LEU A 1 76 ? -26.317 14.518 -28.854 1.0 21.5 ? 76 A 5 +ATOM 1158 C CB . LEU A 1 76 ? -24.875 12.114 -27.434 1.0 73.12 ? 76 A 5 +ATOM 1159 C CG . LEU A 1 76 ? -24.98 12.156 -25.909 1.0 64.45 ? 76 A 5 +ATOM 1160 C CD1 . LEU A 1 76 ? -25.829 11.002 -25.4 1.0 24.13 ? 76 A 5 +ATOM 1161 C CD2 . LEU A 1 76 ? -23.595 12.121 -25.278 1.0 22.03 ? 76 A 5 +ATOM 1162 H H . LEU A 1 76 ? -24.863 14.804 -26.63 1.0 44.32 ? 76 A 5 +ATOM 1163 H HA . LEU A 1 76 ? -23.398 13.154 -28.582 1.0 53.04 ? 76 A 5 +ATOM 1164 H HB2 . LEU A 1 76 ? -25.862 11.923 -27.828 1.0 71.31 ? 76 A 5 +ATOM 1165 H HB3 . LEU A 1 76 ? -24.219 11.297 -27.699 1.0 62.14 ? 76 A 5 +ATOM 1166 H HG . LEU A 1 76 ? -25.46 13.079 -25.613 1.0 42.11 ? 76 A 5 +ATOM 1167 H HD11 . LEU A 1 76 ? -26.674 10.86 -26.056 1.0 12.14 ? 76 A 5 +ATOM 1168 H HD12 . LEU A 1 76 ? -26.18 11.225 -24.404 1.0 23.21 ? 76 A 5 +ATOM 1169 H HD13 . LEU A 1 76 ? -25.234 10.1 -25.378 1.0 40.2 ? 76 A 5 +ATOM 1170 H HD21 . LEU A 1 76 ? -23.335 11.101 -25.039 1.0 53.24 ? 76 A 5 +ATOM 1171 H HD22 . LEU A 1 76 ? -23.596 12.715 -24.376 1.0 72.02 ? 76 A 5 +ATOM 1172 H HD23 . LEU A 1 76 ? -22.873 12.525 -25.973 1.0 63.4 ? 76 A 5 +ATOM 1173 N N . ARG A 1 77 ? -25.043 13.528 -30.422 1.0 50.44 ? 77 A 5 +ATOM 1174 C CA . ARG A 1 77 ? -25.904 13.926 -31.529 1.0 12.4 ? 77 A 5 +ATOM 1175 C C . ARG A 1 77 ? -26.73 12.743 -32.027 1.0 10.32 ? 77 A 5 +ATOM 1176 O O . ARG A 1 77 ? -26.808 12.489 -33.23 1.0 12.43 ? 77 A 5 +ATOM 1177 C CB . ARG A 1 77 ? -25.066 14.495 -32.676 1.0 55.35 ? 77 A 5 +ATOM 1178 C CG . ARG A 1 77 ? -24.128 15.612 -32.249 1.0 12.22 ? 77 A 5 +ATOM 1179 C CD . ARG A 1 77 ? -22.671 15.196 -32.376 1.0 60.22 ? 77 A 5 +ATOM 1180 N NE . ARG A 1 77 ? -21.817 16.311 -32.776 1.0 64.33 ? 77 A 5 +ATOM 1181 C CZ . ARG A 1 77 ? -20.522 16.184 -33.048 1.0 13.31 ? 77 A 5 +ATOM 1182 N NH1 . ARG A 1 77 ? -19.937 14.997 -32.963 1.0 63.3 ? 77 A 5 +ATOM 1183 N NH2 . ARG A 1 77 ? -19.811 17.245 -33.406 1.0 70.54 ? 77 A 5 +ATOM 1184 H H . ARG A 1 77 ? -24.236 13.003 -30.608 1.0 2.41 ? 77 A 5 +ATOM 1185 H HA . ARG A 1 77 ? -26.574 14.692 -31.17 1.0 53.23 ? 77 A 5 +ATOM 1186 H HB2 . ARG A 1 77 ? -24.472 13.7 -33.102 1.0 41.04 ? 77 A 5 +ATOM 1187 H HB3 . ARG A 1 77 ? -25.73 14.882 -33.433 1.0 23.23 ? 77 A 5 +ATOM 1188 H HG2 . ARG A 1 77 ? -24.301 16.474 -32.876 1.0 3.21 ? 77 A 5 +ATOM 1189 H HG3 . ARG A 1 77 ? -24.333 15.867 -31.219 1.0 45.32 ? 77 A 5 +ATOM 1190 H HD2 . ARG A 1 77 ? -22.333 14.821 -31.421 1.0 24.22 ? 77 A 5 +ATOM 1191 H HD3 . ARG A 1 77 ? -22.598 14.414 -33.116 1.0 55.12 ? 77 A 5 +ATOM 1192 H HE . ARG A 1 77 ? -22.229 17.197 -32.845 1.0 41.44 ? 77 A 5 +ATOM 1193 H HH11 . ARG A 1 77 ? -20.471 14.196 -32.694 1.0 31.24 ? 77 A 5 +ATOM 1194 H HH12 . ARG A 1 77 ? -18.963 14.904 -33.169 1.0 72.5 ? 77 A 5 +ATOM 1195 H HH21 . ARG A 1 77 ? -20.249 18.141 -33.471 1.0 71.34 ? 77 A 5 +ATOM 1196 H HH22 . ARG A 1 77 ? -18.838 17.149 -33.61 1.0 1.44 ? 77 A 5 +ATOM 1197 N N . LEU A 1 78 ? -27.344 12.024 -31.095 1.0 31.03 ? 78 A 5 +ATOM 1198 C CA . LEU A 1 78 ? -28.164 10.867 -31.438 1.0 51.32 ? 78 A 5 +ATOM 1199 C C . LEU A 1 78 ? -29.309 11.267 -32.365 1.0 14.11 ? 78 A 5 +ATOM 1200 O O . LEU A 1 78 ? -29.574 10.599 -33.364 1.0 12.31 ? 78 A 5 +ATOM 1201 C CB . LEU A 1 78 ? -28.722 10.218 -30.171 1.0 42.51 ? 78 A 5 +ATOM 1202 C CG . LEU A 1 78 ? -28.046 8.92 -29.728 1.0 51.45 ? 78 A 5 +ATOM 1203 C CD1 . LEU A 1 78 ? -26.909 9.214 -28.761 1.0 14.44 ? 78 A 5 +ATOM 1204 C CD2 . LEU A 1 78 ? -29.06 7.981 -29.091 1.0 25.32 ? 78 A 5 +ATOM 1205 H H . LEU A 1 78 ? -27.245 12.275 -30.154 1.0 75.31 ? 78 A 5 +ATOM 1206 H HA . LEU A 1 78 ? -27.535 10.155 -31.951 1.0 64.2 ? 78 A 5 +ATOM 1207 H HB2 . LEU A 1 78 ? -28.629 10.931 -29.366 1.0 61.14 ? 78 A 5 +ATOM 1208 H HB3 . LEU A 1 78 ? -29.768 10.006 -30.341 1.0 62.32 ? 78 A 5 +ATOM 1209 H HG . LEU A 1 78 ? -27.628 8.426 -30.594 1.0 53.42 ? 78 A 5 +ATOM 1210 H HD11 . LEU A 1 78 ? -27.008 10.22 -28.384 1.0 3.24 ? 78 A 5 +ATOM 1211 H HD12 . LEU A 1 78 ? -25.965 9.114 -29.276 1.0 74.14 ? 78 A 5 +ATOM 1212 H HD13 . LEU A 1 78 ? -26.946 8.514 -27.939 1.0 11.41 ? 78 A 5 +ATOM 1213 H HD21 . LEU A 1 78 ? -29.891 7.837 -29.766 1.0 65.32 ? 78 A 5 +ATOM 1214 H HD22 . LEU A 1 78 ? -29.417 8.41 -28.166 1.0 65.43 ? 78 A 5 +ATOM 1215 H HD23 . LEU A 1 78 ? -28.591 7.029 -28.888 1.0 34.04 ? 78 A 5 +ATOM 1216 N N . ARG A 1 79 ? -29.982 12.362 -32.026 1.0 44.5 ? 79 A 5 +ATOM 1217 C CA . ARG A 1 79 ? -31.097 12.851 -32.828 1.0 54.44 ? 79 A 5 +ATOM 1218 C C . ARG A 1 79 ? -32.178 11.783 -32.965 1.0 43.43 ? 79 A 5 +ATOM 1219 O O . ARG A 1 79 ? -32.755 11.604 -34.037 1.0 24.23 ? 79 A 5 +ATOM 1220 C CB . ARG A 1 79 ? -30.608 13.278 -34.213 1.0 53.1 ? 79 A 5 +ATOM 1221 C CG . ARG A 1 79 ? -31.356 14.473 -34.781 1.0 62.42 ? 79 A 5 +ATOM 1222 C CD . ARG A 1 79 ? -30.408 15.611 -35.128 1.0 15.2 ? 79 A 5 +ATOM 1223 N NE . ARG A 1 79 ? -29.783 15.423 -36.435 1.0 22.21 ? 79 A 5 +ATOM 1224 C CZ . ARG A 1 79 ? -30.423 15.594 -37.586 1.0 43.33 ? 79 A 5 +ATOM 1225 N NH1 . ARG A 1 79 ? -31.698 15.955 -37.593 1.0 51.34 ? 79 A 5 +ATOM 1226 N NH2 . ARG A 1 79 ? -29.785 15.405 -38.735 1.0 24.34 ? 79 A 5 +ATOM 1227 H H . ARG A 1 79 ? -29.723 12.852 -31.218 1.0 30.43 ? 79 A 5 +ATOM 1228 H HA . ARG A 1 79 ? -31.517 13.709 -32.324 1.0 75.12 ? 79 A 5 +ATOM 1229 H HB2 . ARG A 1 79 ? -29.561 13.535 -34.15 1.0 72.51 ? 79 A 5 +ATOM 1230 H HB3 . ARG A 1 79 ? -30.727 12.45 -34.895 1.0 62.3 ? 79 A 5 +ATOM 1231 H HG2 . ARG A 1 79 ? -31.876 14.168 -35.677 1.0 34.21 ? 79 A 5 +ATOM 1232 H HG3 . ARG A 1 79 ? -32.069 14.821 -34.049 1.0 51.44 ? 79 A 5 +ATOM 1233 H HD2 . ARG A 1 79 ? -30.965 16.536 -35.135 1.0 21.42 ? 79 A 5 +ATOM 1234 H HD3 . ARG A 1 79 ? -29.637 15.661 -34.374 1.0 24.22 ? 79 A 5 +ATOM 1235 H HE . ARG A 1 79 ? -28.841 15.157 -36.453 1.0 63.2 ? 79 A 5 +ATOM 1236 H HH11 . ARG A 1 79 ? -32.181 16.1 -36.729 1.0 0.03 ? 79 A 5 +ATOM 1237 H HH12 . ARG A 1 79 ? -32.177 16.085 -38.462 1.0 54.33 ? 79 A 5 +ATOM 1238 H HH21 . ARG A 1 79 ? -28.824 15.133 -38.734 1.0 72.3 ? 79 A 5 +ATOM 1239 H HH22 . ARG A 1 79 ? -30.267 15.534 -39.601 1.0 2.44 ? 79 A 5 +ATOM 1240 N N . GLY A 1 80 ? -32.446 11.075 -31.872 1.0 11.03 ? 80 A 5 +ATOM 1241 C CA . GLY A 1 80 ? -33.456 10.033 -31.892 1.0 3.12 ? 80 A 5 +ATOM 1242 C C . GLY A 1 80 ? -32.976 8.774 -32.586 1.0 52.34 ? 80 A 5 +ATOM 1243 O O . GLY A 1 80 ? -33.115 8.636 -33.801 1.0 43.44 ? 80 A 5 +ATOM 1244 H H . GLY A 1 80 ? -31.954 11.262 -31.045 1.0 0.24 ? 80 A 5 +ATOM 1245 H HA2 . GLY A 1 80 ? -33.727 9.791 -30.875 1.0 71.24 ? 80 A 5 +ATOM 1246 H HA3 . GLY A 1 80 ? -34.329 10.405 -32.408 1.0 43.14 ? 80 A 5 +ATOM 1247 N N . GLY A 1 81 ? -32.409 7.853 -31.813 1.0 43.34 ? 81 A 5 +ATOM 1248 C CA . GLY A 1 81 ? -31.914 6.612 -32.38 1.0 20.2 ? 81 A 5 +ATOM 1249 C C . GLY A 1 81 ? -32.036 5.447 -31.418 1.0 63.23 ? 81 A 5 +ATOM 1250 O O . GLY A 1 81 ? -33.104 5.204 -30.856 1.0 30.24 ? 81 A 5 +ATOM 1251 H H . GLY A 1 81 ? -32.325 8.018 -30.851 1.0 11.33 ? 81 A 5 +ATOM 1252 H HA2 . GLY A 1 81 ? -32.476 6.387 -33.274 1.0 30.51 ? 81 A 5 +ATOM 1253 H HA3 . GLY A 1 81 ? -30.874 6.739 -32.643 1.0 55.14 ? 81 A 5 +ATOM 1254 N N . VAL A 1 82 ? -30.938 4.722 -31.227 1.0 30.52 ? 82 A 5 +ATOM 1255 C CA . VAL A 1 82 ? -30.926 3.575 -30.327 1.0 4.45 ? 82 A 5 +ATOM 1256 C C . VAL A 1 82 ? -31.164 4.006 -28.884 1.0 63.52 ? 82 A 5 +ATOM 1257 O O . VAL A 1 82 ? -31.004 5.177 -28.541 1.0 12.52 ? 82 A 5 +ATOM 1258 C CB . VAL A 1 82 ? -29.592 2.81 -30.409 1.0 53.54 ? 82 A 5 +ATOM 1259 C CG1 . VAL A 1 82 ? -29.59 1.633 -29.447 1.0 33.31 ? 82 A 5 +ATOM 1260 C CG2 . VAL A 1 82 ? -29.331 2.345 -31.834 1.0 1.13 ? 82 A 5 +ATOM 1261 H H . VAL A 1 82 ? -30.116 4.964 -31.703 1.0 42.11 ? 82 A 5 +ATOM 1262 H HA . VAL A 1 82 ? -31.719 2.906 -30.628 1.0 65.12 ? 82 A 5 +ATOM 1263 H HB . VAL A 1 82 ? -28.797 3.483 -30.122 1.0 3.02 ? 82 A 5 +ATOM 1264 H HG11 . VAL A 1 82 ? -29.738 1.992 -28.439 1.0 71.54 ? 82 A 5 +ATOM 1265 H HG12 . VAL A 1 82 ? -30.387 0.952 -29.708 1.0 43.52 ? 82 A 5 +ATOM 1266 H HG13 . VAL A 1 82 ? -28.642 1.118 -29.509 1.0 60.31 ? 82 A 5 +ATOM 1267 H HG21 . VAL A 1 82 ? -28.881 3.148 -32.399 1.0 51.1 ? 82 A 5 +ATOM 1268 H HG22 . VAL A 1 82 ? -28.664 1.496 -31.819 1.0 43.42 ? 82 A 5 +ATOM 1269 H HG23 . VAL A 1 82 ? -30.266 2.06 -32.296 1.0 61.21 ? 82 A 5 +ATOM 1 N N . GLY A 1 1 ? -15.425 -4.098 -5.149 1.0 13.0 ? 1 A 6 +ATOM 2 C CA . GLY A 1 1 ? -14.182 -3.541 -4.647 1.0 45.03 ? 1 A 6 +ATOM 3 C C . GLY A 1 1 ? -13.391 -2.824 -5.723 1.0 65.21 ? 1 A 6 +ATOM 4 O O . GLY A 1 1 ? -12.316 -3.264 -6.131 1.0 33.34 ? 1 A 6 +ATOM 5 H H1 . GLY A 1 1 ? -15.746 -3.849 -6.041 1.0 52.4 ? 1 A 6 +ATOM 6 H HA2 . GLY A 1 1 ? -14.407 -2.843 -3.855 1.0 14.15 ? 1 A 6 +ATOM 7 H HA3 . GLY A 1 1 ? -13.578 -4.342 -4.247 1.0 34.23 ? 1 A 6 +ATOM 8 N N . PRO A 1 2 ? -13.928 -1.692 -6.202 1.0 55.32 ? 2 A 6 +ATOM 9 C CA . PRO A 1 2 ? -13.283 -0.889 -7.245 1.0 21.43 ? 2 A 6 +ATOM 10 C C . PRO A 1 2 ? -12.022 -0.194 -6.744 1.0 41.45 ? 2 A 6 +ATOM 11 O O . PRO A 1 2 ? -11.953 0.236 -5.591 1.0 62.42 ? 2 A 6 +ATOM 12 C CB . PRO A 1 2 ? -14.353 0.143 -7.611 1.0 51.45 ? 2 A 6 +ATOM 13 C CG . PRO A 1 2 ? -15.202 0.257 -6.392 1.0 43.11 ? 2 A 6 +ATOM 14 C CD . PRO A 1 2 ? -15.207 -1.109 -5.762 1.0 64.14 ? 2 A 6 +ATOM 15 H HA . PRO A 1 2 ? -13.043 -1.485 -8.113 1.0 31.54 ? 2 A 6 +ATOM 16 H HB2 . PRO A 1 2 ? -13.88 1.085 -7.853 1.0 42.4 ? 2 A 6 +ATOM 17 H HB3 . PRO A 1 2 ? -14.923 -0.208 -8.457 1.0 62.54 ? 2 A 6 +ATOM 18 H HG2 . PRO A 1 2 ? -14.777 0.981 -5.714 1.0 3.22 ? 2 A 6 +ATOM 19 H HG3 . PRO A 1 2 ? -16.205 0.545 -6.67 1.0 51.14 ? 2 A 6 +ATOM 20 H HD2 . PRO A 1 2 ? -15.244 -1.028 -4.686 1.0 11.0 ? 2 A 6 +ATOM 21 H HD3 . PRO A 1 2 ? -16.041 -1.69 -6.127 1.0 24.12 ? 2 A 6 +ATOM 22 N N . LEU A 1 3 ? -11.025 -0.086 -7.616 1.0 34.12 ? 3 A 6 +ATOM 23 C CA . LEU A 1 3 ? -9.765 0.558 -7.262 1.0 54.03 ? 3 A 6 +ATOM 24 C C . LEU A 1 3 ? -8.955 0.892 -8.51 1.0 63.21 ? 3 A 6 +ATOM 25 O O . LEU A 1 3 ? -9.145 0.29 -9.565 1.0 11.24 ? 3 A 6 +ATOM 26 C CB . LEU A 1 3 ? -8.949 -0.347 -6.337 1.0 60.12 ? 3 A 6 +ATOM 27 C CG . LEU A 1 3 ? -8.726 0.171 -4.916 1.0 64.13 ? 3 A 6 +ATOM 28 C CD1 . LEU A 1 3 ? -8.564 -0.988 -3.945 1.0 62.25 ? 3 A 6 +ATOM 29 C CD2 . LEU A 1 3 ? -7.51 1.085 -4.866 1.0 0.12 ? 3 A 6 +ATOM 30 H H . LEU A 1 3 ? -11.139 -0.447 -8.519 1.0 52.35 ? 3 A 6 +ATOM 31 H HA . LEU A 1 3 ? -9.997 1.475 -6.741 1.0 43.13 ? 3 A 6 +ATOM 32 H HB2 . LEU A 1 3 ? -9.46 -1.295 -6.267 1.0 74.24 ? 3 A 6 +ATOM 33 H HB3 . LEU A 1 3 ? -7.98 -0.496 -6.793 1.0 72.41 ? 3 A 6 +ATOM 34 H HG . LEU A 1 3 ? -9.589 0.745 -4.609 1.0 43.5 ? 3 A 6 +ATOM 35 H HD11 . LEU A 1 3 ? -8.47 -1.911 -4.497 1.0 50.45 ? 3 A 6 +ATOM 36 H HD12 . LEU A 1 3 ? -9.429 -1.041 -3.3 1.0 4.34 ? 3 A 6 +ATOM 37 H HD13 . LEU A 1 3 ? -7.678 -0.835 -3.346 1.0 54.42 ? 3 A 6 +ATOM 38 H HD21 . LEU A 1 3 ? -6.613 0.498 -5.0 1.0 23.33 ? 3 A 6 +ATOM 39 H HD22 . LEU A 1 3 ? -7.475 1.584 -3.91 1.0 1.01 ? 3 A 6 +ATOM 40 H HD23 . LEU A 1 3 ? -7.58 1.82 -5.654 1.0 75.24 ? 3 A 6 +ATOM 41 N N . GLY A 1 4 ? -8.048 1.857 -8.38 1.0 4.21 ? 4 A 6 +ATOM 42 C CA . GLY A 1 4 ? -7.221 2.253 -9.505 1.0 43.34 ? 4 A 6 +ATOM 43 C C . GLY A 1 4 ? -6.41 3.501 -9.217 1.0 32.24 ? 4 A 6 +ATOM 44 O O . GLY A 1 4 ? -6.069 3.776 -8.066 1.0 73.31 ? 4 A 6 +ATOM 45 H H . GLY A 1 4 ? -7.941 2.303 -7.514 1.0 2.13 ? 4 A 6 +ATOM 46 H HA2 . GLY A 1 4 ? -6.546 1.445 -9.744 1.0 53.5 ? 4 A 6 +ATOM 47 H HA3 . GLY A 1 4 ? -7.858 2.441 -10.357 1.0 61.41 ? 4 A 6 +ATOM 48 N N . SER A 1 5 ? -6.098 4.257 -10.264 1.0 14.33 ? 5 A 6 +ATOM 49 C CA . SER A 1 5 ? -5.317 5.48 -10.119 1.0 12.42 ? 5 A 6 +ATOM 50 C C . SER A 1 5 ? -6.214 6.656 -9.744 1.0 43.22 ? 5 A 6 +ATOM 51 O O . SER A 1 5 ? -6.229 7.097 -8.595 1.0 33.52 ? 5 A 6 +ATOM 52 C CB . SER A 1 5 ? -4.568 5.789 -11.417 1.0 72.02 ? 5 A 6 +ATOM 53 O OG . SER A 1 5 ? -3.836 6.998 -11.308 1.0 21.35 ? 5 A 6 +ATOM 54 H H . SER A 1 5 ? -6.399 3.985 -11.157 1.0 31.12 ? 5 A 6 +ATOM 55 H HA . SER A 1 5 ? -4.6 5.323 -9.328 1.0 12.32 ? 5 A 6 +ATOM 56 H HB2 . SER A 1 5 ? -3.881 4.985 -11.633 1.0 41.01 ? 5 A 6 +ATOM 57 H HB3 . SER A 1 5 ? -5.278 5.883 -12.225 1.0 74.13 ? 5 A 6 +ATOM 58 H HG . SER A 1 5 ? -2.897 6.81 -11.368 1.0 33.45 ? 5 A 6 +ATOM 59 N N . MET A 1 6 ? -6.96 7.159 -10.722 1.0 14.01 ? 6 A 6 +ATOM 60 C CA . MET A 1 6 ? -7.861 8.283 -10.495 1.0 54.33 ? 6 A 6 +ATOM 61 C C . MET A 1 6 ? -9.212 8.04 -11.16 1.0 31.44 ? 6 A 6 +ATOM 62 O O . MET A 1 6 ? -9.43 6.998 -11.778 1.0 1.11 ? 6 A 6 +ATOM 63 C CB . MET A 1 6 ? -7.242 9.576 -11.03 1.0 70.21 ? 6 A 6 +ATOM 64 C CG . MET A 1 6 ? -7.021 9.567 -12.534 1.0 25.05 ? 6 A 6 +ATOM 65 S SD . MET A 1 6 ? -5.275 9.506 -12.979 1.0 3.44 ? 6 A 6 +ATOM 66 C CE . MET A 1 6 ? -4.662 10.969 -12.148 1.0 13.21 ? 6 A 6 +ATOM 67 H H . MET A 1 6 ? -6.905 6.764 -11.618 1.0 2.32 ? 6 A 6 +ATOM 68 H HA . MET A 1 6 ? -8.008 8.379 -9.43 1.0 5.22 ? 6 A 6 +ATOM 69 H HB2 . MET A 1 6 ? -7.895 10.401 -10.788 1.0 62.43 ? 6 A 6 +ATOM 70 H HB3 . MET A 1 6 ? -6.287 9.73 -10.549 1.0 63.34 ? 6 A 6 +ATOM 71 H HG2 . MET A 1 6 ? -7.514 8.703 -12.952 1.0 33.13 ? 6 A 6 +ATOM 72 H HG3 . MET A 1 6 ? -7.454 10.464 -12.952 1.0 12.41 ? 6 A 6 +ATOM 73 H HE1 . MET A 1 6 ? -5.496 11.564 -11.804 1.0 12.23 ? 6 A 6 +ATOM 74 H HE2 . MET A 1 6 ? -4.056 10.677 -11.303 1.0 52.54 ? 6 A 6 +ATOM 75 H HE3 . MET A 1 6 ? -4.065 11.55 -12.836 1.0 2.41 ? 6 A 6 +ATOM 76 N N . GLN A 1 7 ? -10.114 9.006 -11.027 1.0 13.12 ? 7 A 6 +ATOM 77 C CA . GLN A 1 7 ? -11.444 8.895 -11.614 1.0 13.2 ? 7 A 6 +ATOM 78 C C . GLN A 1 7 ? -11.877 10.219 -12.236 1.0 42.42 ? 7 A 6 +ATOM 79 O O . GLN A 1 7 ? -11.384 11.283 -11.86 1.0 71.33 ? 7 A 6 +ATOM 80 C CB . GLN A 1 7 ? -12.458 8.46 -10.555 1.0 42.01 ? 7 A 6 +ATOM 81 C CG . GLN A 1 7 ? -11.949 7.355 -9.644 1.0 12.34 ? 7 A 6 +ATOM 82 C CD . GLN A 1 7 ? -11.424 7.882 -8.323 1.0 44.31 ? 7 A 6 +ATOM 83 O OE1 . GLN A 1 7 ? -11.306 9.092 -8.128 1.0 33.44 ? 7 A 6 +ATOM 84 N NE2 . GLN A 1 7 ? -11.106 6.975 -7.407 1.0 73.32 ? 7 A 6 +ATOM 85 H H . GLN A 1 7 ? -9.88 9.812 -10.522 1.0 71.21 ? 7 A 6 +ATOM 86 H HA . GLN A 1 7 ? -11.403 8.145 -12.389 1.0 62.03 ? 7 A 6 +ATOM 87 H HB2 . GLN A 1 7 ? -12.711 9.314 -9.943 1.0 13.25 ? 7 A 6 +ATOM 88 H HB3 . GLN A 1 7 ? -13.35 8.106 -11.051 1.0 41.42 ? 7 A 6 +ATOM 89 H HG2 . GLN A 1 7 ? -12.76 6.67 -9.443 1.0 43.33 ? 7 A 6 +ATOM 90 H HG3 . GLN A 1 7 ? -11.152 6.829 -10.148 1.0 33.21 ? 7 A 6 +ATOM 91 H HE21 . GLN A 1 7 ? -11.225 6.028 -7.633 1.0 52.01 ? 7 A 6 +ATOM 92 H HE22 . GLN A 1 7 ? -10.763 7.288 -6.545 1.0 55.43 ? 7 A 6 +ATOM 93 N N . ILE A 1 8 ? -12.8 10.146 -13.189 1.0 12.12 ? 8 A 6 +ATOM 94 C CA . ILE A 1 8 ? -13.299 11.338 -13.862 1.0 64.2 ? 8 A 6 +ATOM 95 C C . ILE A 1 8 ? -14.823 11.38 -13.848 1.0 0.33 ? 8 A 6 +ATOM 96 O O . ILE A 1 8 ? -15.481 10.36 -13.644 1.0 11.35 ? 8 A 6 +ATOM 97 C CB . ILE A 1 8 ? -12.809 11.409 -15.32 1.0 65.34 ? 8 A 6 +ATOM 98 C CG1 . ILE A 1 8 ? -11.931 10.198 -15.645 1.0 72.33 ? 8 A 6 +ATOM 99 C CG2 . ILE A 1 8 ? -12.045 12.703 -15.56 1.0 55.24 ? 8 A 6 +ATOM 100 C CD1 . ILE A 1 8 ? -11.571 10.089 -17.11 1.0 11.02 ? 8 A 6 +ATOM 101 H H . ILE A 1 8 ? -13.154 9.269 -13.445 1.0 43.45 ? 8 A 6 +ATOM 102 H HA . ILE A 1 8 ? -12.921 12.202 -13.334 1.0 41.41 ? 8 A 6 +ATOM 103 H HB . ILE A 1 8 ? -13.672 11.403 -15.968 1.0 13.24 ? 8 A 6 +ATOM 104 H HG12 . ILE A 1 8 ? -11.013 10.266 -15.083 1.0 4.11 ? 8 A 6 +ATOM 105 H HG13 . ILE A 1 8 ? -12.456 9.297 -15.363 1.0 33.41 ? 8 A 6 +ATOM 106 H HG21 . ILE A 1 8 ? -11.36 12.569 -16.384 1.0 12.11 ? 8 A 6 +ATOM 107 H HG22 . ILE A 1 8 ? -12.742 13.492 -15.798 1.0 14.43 ? 8 A 6 +ATOM 108 H HG23 . ILE A 1 8 ? -11.493 12.966 -14.671 1.0 53.13 ? 8 A 6 +ATOM 109 H HD11 . ILE A 1 8 ? -12.167 9.313 -17.57 1.0 4.51 ? 8 A 6 +ATOM 110 H HD12 . ILE A 1 8 ? -11.767 11.031 -17.601 1.0 22.53 ? 8 A 6 +ATOM 111 H HD13 . ILE A 1 8 ? -10.524 9.843 -17.207 1.0 32.23 ? 8 A 6 +ATOM 112 N N . PHE A 1 9 ? -15.379 12.568 -14.067 1.0 44.42 ? 9 A 6 +ATOM 113 C CA . PHE A 1 9 ? -16.827 12.743 -14.08 1.0 45.42 ? 9 A 6 +ATOM 114 C C . PHE A 1 9 ? -17.308 13.191 -15.457 1.0 62.05 ? 9 A 6 +ATOM 115 O O . PHE A 1 9 ? -16.828 14.185 -16.002 1.0 33.13 ? 9 A 6 +ATOM 116 C CB . PHE A 1 9 ? -17.247 13.767 -13.023 1.0 42.3 ? 9 A 6 +ATOM 117 C CG . PHE A 1 9 ? -18.03 13.17 -11.889 1.0 44.44 ? 9 A 6 +ATOM 118 C CD1 . PHE A 1 9 ? -19.284 12.622 -12.108 1.0 24.21 ? 9 A 6 +ATOM 119 C CD2 . PHE A 1 9 ? -17.513 13.158 -10.604 1.0 24.11 ? 9 A 6 +ATOM 120 C CE1 . PHE A 1 9 ? -20.007 12.072 -11.066 1.0 54.33 ? 9 A 6 +ATOM 121 C CE2 . PHE A 1 9 ? -18.231 12.609 -9.558 1.0 62.43 ? 9 A 6 +ATOM 122 C CZ . PHE A 1 9 ? -19.48 12.066 -9.79 1.0 72.21 ? 9 A 6 +ATOM 123 H H . PHE A 1 9 ? -14.801 13.344 -14.223 1.0 15.35 ? 9 A 6 +ATOM 124 H HA . PHE A 1 9 ? -17.277 11.791 -13.846 1.0 72.15 ? 9 A 6 +ATOM 125 H HB2 . PHE A 1 9 ? -16.364 14.229 -12.609 1.0 13.22 ? 9 A 6 +ATOM 126 H HB3 . PHE A 1 9 ? -17.86 14.524 -13.49 1.0 20.44 ? 9 A 6 +ATOM 127 H HD1 . PHE A 1 9 ? -19.697 12.627 -13.107 1.0 63.23 ? 9 A 6 +ATOM 128 H HD2 . PHE A 1 9 ? -16.537 13.582 -10.421 1.0 43.5 ? 9 A 6 +ATOM 129 H HE1 . PHE A 1 9 ? -20.983 11.649 -11.251 1.0 53.21 ? 9 A 6 +ATOM 130 H HE2 . PHE A 1 9 ? -17.817 12.606 -8.561 1.0 61.25 ? 9 A 6 +ATOM 131 H HZ . PHE A 1 9 ? -20.043 11.637 -8.975 1.0 11.33 ? 9 A 6 +ATOM 132 N N . VAL A 1 10 ? -18.259 12.448 -16.015 1.0 35.51 ? 10 A 6 +ATOM 133 C CA . VAL A 1 10 ? -18.806 12.767 -17.328 1.0 51.35 ? 10 A 6 +ATOM 134 C C . VAL A 1 10 ? -20.284 13.131 -17.234 1.0 20.3 ? 10 A 6 +ATOM 135 O O . VAL A 1 10 ? -21.073 12.413 -16.62 1.0 33.54 ? 10 A 6 +ATOM 136 C CB . VAL A 1 10 ? -18.639 11.59 -18.307 1.0 1.24 ? 10 A 6 +ATOM 137 C CG1 . VAL A 1 10 ? -18.209 12.091 -19.677 1.0 43.55 ? 10 A 6 +ATOM 138 C CG2 . VAL A 1 10 ? -17.64 10.582 -17.761 1.0 70.41 ? 10 A 6 +ATOM 139 H H . VAL A 1 10 ? -18.601 11.668 -15.531 1.0 13.11 ? 10 A 6 +ATOM 140 H HA . VAL A 1 10 ? -18.261 13.614 -17.72 1.0 52.2 ? 10 A 6 +ATOM 141 H HB . VAL A 1 10 ? -19.595 11.097 -18.412 1.0 21.21 ? 10 A 6 +ATOM 142 H HG11 . VAL A 1 10 ? -18.576 13.097 -19.823 1.0 75.22 ? 10 A 6 +ATOM 143 H HG12 . VAL A 1 10 ? -17.131 12.086 -19.741 1.0 54.41 ? 10 A 6 +ATOM 144 H HG13 . VAL A 1 10 ? -18.618 11.446 -20.441 1.0 61.31 ? 10 A 6 +ATOM 145 H HG21 . VAL A 1 10 ? -17.358 9.893 -18.544 1.0 13.24 ? 10 A 6 +ATOM 146 H HG22 . VAL A 1 10 ? -16.763 11.102 -17.406 1.0 62.44 ? 10 A 6 +ATOM 147 H HG23 . VAL A 1 10 ? -18.089 10.034 -16.945 1.0 2.35 ? 10 A 6 +ATOM 148 N N . LYS A 1 11 ? -20.652 14.25 -17.848 1.0 23.3 ? 11 A 6 +ATOM 149 C CA . LYS A 1 11 ? -22.036 14.709 -17.836 1.0 10.31 ? 11 A 6 +ATOM 150 C C . LYS A 1 11 ? -22.688 14.507 -19.2 1.0 22.12 ? 11 A 6 +ATOM 151 O O . LYS A 1 11 ? -22.288 15.123 -20.189 1.0 63.21 ? 11 A 6 +ATOM 152 C CB . LYS A 1 11 ? -22.101 16.187 -17.442 1.0 34.41 ? 11 A 6 +ATOM 153 C CG . LYS A 1 11 ? -23.453 16.827 -17.704 1.0 63.11 ? 11 A 6 +ATOM 154 C CD . LYS A 1 11 ? -23.446 18.306 -17.356 1.0 3.15 ? 11 A 6 +ATOM 155 C CE . LYS A 1 11 ? -23.128 19.163 -18.572 1.0 2.52 ? 11 A 6 +ATOM 156 N NZ . LYS A 1 11 ? -23.198 20.618 -18.259 1.0 51.12 ? 11 A 6 +ATOM 157 H H . LYS A 1 11 ? -19.977 14.78 -18.322 1.0 4.15 ? 11 A 6 +ATOM 158 H HA . LYS A 1 11 ? -22.573 14.126 -17.104 1.0 44.21 ? 11 A 6 +ATOM 159 H HB2 . LYS A 1 11 ? -21.882 16.276 -16.388 1.0 75.01 ? 11 A 6 +ATOM 160 H HB3 . LYS A 1 11 ? -21.354 16.73 -18.003 1.0 15.43 ? 11 A 6 +ATOM 161 H HG2 . LYS A 1 11 ? -23.698 16.716 -18.75 1.0 73.24 ? 11 A 6 +ATOM 162 H HG3 . LYS A 1 11 ? -24.2 16.329 -17.103 1.0 30.03 ? 11 A 6 +ATOM 163 H HD2 . LYS A 1 11 ? -24.42 18.584 -16.98 1.0 63.51 ? 11 A 6 +ATOM 164 H HD3 . LYS A 1 11 ? -22.7 18.485 -16.595 1.0 61.22 ? 11 A 6 +ATOM 165 H HE2 . LYS A 1 11 ? -22.132 18.925 -18.913 1.0 70.24 ? 11 A 6 +ATOM 166 H HE3 . LYS A 1 11 ? -23.84 18.937 -19.352 1.0 3.13 ? 11 A 6 +ATOM 167 H HZ1 . LYS A 1 11 ? -22.532 21.145 -18.859 1.0 1.34 ? 11 A 6 +ATOM 168 H HZ2 . LYS A 1 11 ? -22.954 20.78 -17.261 1.0 61.44 ? 11 A 6 +ATOM 169 H HZ3 . LYS A 1 11 ? -24.16 20.974 -18.431 1.0 12.11 ? 11 A 6 +ATOM 170 N N . THR A 1 12 ? -23.696 13.641 -19.247 1.0 60.33 ? 12 A 6 +ATOM 171 C CA . THR A 1 12 ? -24.403 13.358 -20.49 1.0 63.11 ? 12 A 6 +ATOM 172 C C . THR A 1 12 ? -25.329 14.508 -20.869 1.0 63.2 ? 12 A 6 +ATOM 173 O O . THR A 1 12 ? -25.701 15.324 -20.024 1.0 23.14 ? 12 A 6 +ATOM 174 C CB . THR A 1 12 ? -25.229 12.063 -20.384 1.0 13.53 ? 12 A 6 +ATOM 175 O OG1 . THR A 1 12 ? -26.206 12.188 -19.344 1.0 44.22 ? 12 A 6 +ATOM 176 C CG2 . THR A 1 12 ? -24.33 10.869 -20.1 1.0 44.25 ? 12 A 6 +ATOM 177 H H . THR A 1 12 ? -23.968 13.182 -18.426 1.0 50.31 ? 12 A 6 +ATOM 178 H HA . THR A 1 12 ? -23.668 13.229 -21.27 1.0 15.31 ? 12 A 6 +ATOM 179 H HB . THR A 1 12 ? -25.735 11.898 -21.324 1.0 3.11 ? 12 A 6 +ATOM 180 H HG1 . THR A 1 12 ? -26.94 11.595 -19.521 1.0 54.01 ? 12 A 6 +ATOM 181 H HG21 . THR A 1 12 ? -23.709 10.674 -20.961 1.0 54.24 ? 12 A 6 +ATOM 182 H HG22 . THR A 1 12 ? -24.938 10.002 -19.89 1.0 51.32 ? 12 A 6 +ATOM 183 H HG23 . THR A 1 12 ? -23.704 11.085 -19.247 1.0 74.05 ? 12 A 6 +ATOM 184 N N . LEU A 1 13 ? -25.699 14.568 -22.143 1.0 74.21 ? 13 A 6 +ATOM 185 C CA . LEU A 1 13 ? -26.584 15.619 -22.635 1.0 74.52 ? 13 A 6 +ATOM 186 C C . LEU A 1 13 ? -27.919 15.596 -21.897 1.0 25.21 ? 13 A 6 +ATOM 187 O O . LEU A 1 13 ? -28.662 16.578 -21.904 1.0 11.35 ? 13 A 6 +ATOM 188 C CB . LEU A 1 13 ? -26.817 15.455 -24.138 1.0 31.51 ? 13 A 6 +ATOM 189 C CG . LEU A 1 13 ? -27.528 16.614 -24.837 1.0 30.32 ? 13 A 6 +ATOM 190 C CD1 . LEU A 1 13 ? -26.517 17.625 -25.357 1.0 44.31 ? 13 A 6 +ATOM 191 C CD2 . LEU A 1 13 ? -28.4 16.098 -25.972 1.0 64.01 ? 13 A 6 +ATOM 192 H H . LEU A 1 13 ? -25.371 13.89 -22.769 1.0 42.02 ? 13 A 6 +ATOM 193 H HA . LEU A 1 13 ? -26.103 16.568 -22.455 1.0 34.1 ? 13 A 6 +ATOM 194 H HB2 . LEU A 1 13 ? -25.855 15.325 -24.609 1.0 62.11 ? 13 A 6 +ATOM 195 H HB3 . LEU A 1 13 ? -27.411 14.564 -24.285 1.0 43.21 ? 13 A 6 +ATOM 196 H HG . LEU A 1 13 ? -28.167 17.118 -24.125 1.0 45.4 ? 13 A 6 +ATOM 197 H HD11 . LEU A 1 13 ? -27.032 18.401 -25.902 1.0 62.23 ? 13 A 6 +ATOM 198 H HD12 . LEU A 1 13 ? -25.817 17.129 -26.012 1.0 23.44 ? 13 A 6 +ATOM 199 H HD13 . LEU A 1 13 ? -25.984 18.061 -24.524 1.0 25.55 ? 13 A 6 +ATOM 200 H HD21 . LEU A 1 13 ? -28.023 15.144 -26.311 1.0 62.14 ? 13 A 6 +ATOM 201 H HD22 . LEU A 1 13 ? -28.381 16.803 -26.79 1.0 41.34 ? 13 A 6 +ATOM 202 H HD23 . LEU A 1 13 ? -29.415 15.98 -25.621 1.0 51.42 ? 13 A 6 +ATOM 203 N N . THR A 1 14 ? -28.217 14.469 -21.258 1.0 31.41 ? 14 A 6 +ATOM 204 C CA . THR A 1 14 ? -29.461 14.319 -20.514 1.0 30.33 ? 14 A 6 +ATOM 205 C C . THR A 1 14 ? -29.308 14.814 -19.081 1.0 22.13 ? 14 A 6 +ATOM 206 O O . THR A 1 14 ? -30.233 14.713 -18.276 1.0 5.31 ? 14 A 6 +ATOM 207 C CB . THR A 1 14 ? -29.928 12.851 -20.491 1.0 34.54 ? 14 A 6 +ATOM 208 O OG1 . THR A 1 14 ? -29.043 12.068 -19.682 1.0 3.22 ? 14 A 6 +ATOM 209 C CG2 . THR A 1 14 ? -29.978 12.277 -21.899 1.0 34.11 ? 14 A 6 +ATOM 210 H H . THR A 1 14 ? -27.585 13.721 -21.29 1.0 2.31 ? 14 A 6 +ATOM 211 H HA . THR A 1 14 ? -30.219 14.908 -21.009 1.0 25.44 ? 14 A 6 +ATOM 212 H HB . THR A 1 14 ? -30.921 12.812 -20.066 1.0 55.24 ? 14 A 6 +ATOM 213 H HG1 . THR A 1 14 ? -29.555 11.458 -19.145 1.0 24.42 ? 14 A 6 +ATOM 214 H HG21 . THR A 1 14 ? -30.779 11.556 -21.965 1.0 1.02 ? 14 A 6 +ATOM 215 H HG22 . THR A 1 14 ? -29.04 11.793 -22.124 1.0 12.23 ? 14 A 6 +ATOM 216 H HG23 . THR A 1 14 ? -30.152 13.074 -22.606 1.0 12.42 ? 14 A 6 +ATOM 217 N N . GLY A 1 15 ? -28.132 15.351 -18.767 1.0 61.2 ? 15 A 6 +ATOM 218 C CA . GLY A 1 15 ? -27.88 15.854 -17.43 1.0 25.44 ? 15 A 6 +ATOM 219 C C . GLY A 1 15 ? -27.64 14.743 -16.427 1.0 2.34 ? 15 A 6 +ATOM 220 O O . GLY A 1 15 ? -28.293 14.684 -15.385 1.0 24.03 ? 15 A 6 +ATOM 221 H H . GLY A 1 15 ? -27.431 15.405 -19.45 1.0 73.22 ? 15 A 6 +ATOM 222 H HA2 . GLY A 1 15 ? -27.011 16.495 -17.456 1.0 10.15 ? 15 A 6 +ATOM 223 H HA3 . GLY A 1 15 ? -28.733 16.434 -17.109 1.0 23.53 ? 15 A 6 +ATOM 224 N N . LYS A 1 16 ? -26.701 13.857 -16.742 1.0 11.21 ? 16 A 6 +ATOM 225 C CA . LYS A 1 16 ? -26.375 12.741 -15.862 1.0 34.13 ? 16 A 6 +ATOM 226 C C . LYS A 1 16 ? -24.875 12.682 -15.591 1.0 15.24 ? 16 A 6 +ATOM 227 O O . LYS A 1 16 ? -24.072 12.528 -16.513 1.0 50.04 ? 16 A 6 +ATOM 228 C CB . LYS A 1 16 ? -26.845 11.423 -16.481 1.0 31.42 ? 16 A 6 +ATOM 229 C CG . LYS A 1 16 ? -27.306 10.401 -15.457 1.0 73.35 ? 16 A 6 +ATOM 230 C CD . LYS A 1 16 ? -26.154 9.533 -14.977 1.0 50.3 ? 16 A 6 +ATOM 231 C CE . LYS A 1 16 ? -25.635 8.633 -16.088 1.0 52.44 ? 16 A 6 +ATOM 232 N NZ . LYS A 1 16 ? -25.99 7.205 -15.856 1.0 2.53 ? 16 A 6 +ATOM 233 H H . LYS A 1 16 ? -26.213 13.958 -17.587 1.0 52.54 ? 16 A 6 +ATOM 234 H HA . LYS A 1 16 ? -26.891 12.895 -14.927 1.0 34.34 ? 16 A 6 +ATOM 235 H HB2 . LYS A 1 16 ? -27.667 11.627 -17.151 1.0 44.24 ? 16 A 6 +ATOM 236 H HB3 . LYS A 1 16 ? -26.03 10.994 -17.046 1.0 12.13 ? 16 A 6 +ATOM 237 H HG2 . LYS A 1 16 ? -27.729 10.919 -14.609 1.0 3.41 ? 16 A 6 +ATOM 238 H HG3 . LYS A 1 16 ? -28.058 9.768 -15.906 1.0 74.14 ? 16 A 6 +ATOM 239 H HD2 . LYS A 1 16 ? -25.35 10.171 -14.641 1.0 63.23 ? 16 A 6 +ATOM 240 H HD3 . LYS A 1 16 ? -26.496 8.918 -14.157 1.0 14.51 ? 16 A 6 +ATOM 241 H HE2 . LYS A 1 16 ? -26.064 8.954 -17.024 1.0 44.12 ? 16 A 6 +ATOM 242 H HE3 . LYS A 1 16 ? -24.56 8.725 -16.134 1.0 75.31 ? 16 A 6 +ATOM 243 H HZ1 . LYS A 1 16 ? -25.285 6.757 -15.237 1.0 61.55 ? 16 A 6 +ATOM 244 H HZ2 . LYS A 1 16 ? -26.017 6.693 -16.761 1.0 23.15 ? 16 A 6 +ATOM 245 H HZ3 . LYS A 1 16 ? -26.925 7.138 -15.405 1.0 43.23 ? 16 A 6 +ATOM 246 N N . THR A 1 17 ? -24.502 12.803 -14.321 1.0 33.03 ? 17 A 6 +ATOM 247 C CA . THR A 1 17 ? -23.099 12.763 -13.929 1.0 61.21 ? 17 A 6 +ATOM 248 C C . THR A 1 17 ? -22.665 11.343 -13.583 1.0 13.11 ? 17 A 6 +ATOM 249 O O . THR A 1 17 ? -23.202 10.727 -12.662 1.0 32.24 ? 17 A 6 +ATOM 250 C CB . THR A 1 17 ? -22.826 13.679 -12.722 1.0 22.54 ? 17 A 6 +ATOM 251 O OG1 . THR A 1 17 ? -23.573 13.229 -11.586 1.0 24.32 ? 17 A 6 +ATOM 252 C CG2 . THR A 1 17 ? -23.197 15.12 -13.041 1.0 72.42 ? 17 A 6 +ATOM 253 H H . THR A 1 17 ? -25.188 12.924 -13.632 1.0 63.53 ? 17 A 6 +ATOM 254 H HA . THR A 1 17 ? -22.509 13.116 -14.763 1.0 15.15 ? 17 A 6 +ATOM 255 H HB . THR A 1 17 ? -21.771 13.638 -12.489 1.0 61.22 ? 17 A 6 +ATOM 256 H HG1 . THR A 1 17 ? -22.975 12.844 -10.942 1.0 54.0 ? 17 A 6 +ATOM 257 H HG21 . THR A 1 17 ? -22.789 15.772 -12.284 1.0 31.34 ? 17 A 6 +ATOM 258 H HG22 . THR A 1 17 ? -24.272 15.219 -13.06 1.0 12.24 ? 17 A 6 +ATOM 259 H HG23 . THR A 1 17 ? -22.793 15.39 -14.005 1.0 74.01 ? 17 A 6 +ATOM 260 N N . ILE A 1 18 ? -21.691 10.829 -14.327 1.0 21.15 ? 18 A 6 +ATOM 261 C CA . ILE A 1 18 ? -21.184 9.482 -14.096 1.0 42.23 ? 18 A 6 +ATOM 262 C C . ILE A 1 18 ? -19.708 9.507 -13.717 1.0 2.02 ? 18 A 6 +ATOM 263 O O . ILE A 1 18 ? -18.926 10.284 -14.267 1.0 34.24 ? 18 A 6 +ATOM 264 C CB . ILE A 1 18 ? -21.368 8.591 -15.339 1.0 20.13 ? 18 A 6 +ATOM 265 C CG1 . ILE A 1 18 ? -20.483 7.348 -15.238 1.0 0.43 ? 18 A 6 +ATOM 266 C CG2 . ILE A 1 18 ? -21.048 9.374 -16.604 1.0 34.34 ? 18 A 6 +ATOM 267 C CD1 . ILE A 1 18 ? -20.79 6.3 -16.285 1.0 41.12 ? 18 A 6 +ATOM 268 H H . ILE A 1 18 ? -21.303 11.369 -15.046 1.0 72.35 ? 18 A 6 +ATOM 269 H HA . ILE A 1 18 ? -21.747 9.049 -13.282 1.0 33.1 ? 18 A 6 +ATOM 270 H HB . ILE A 1 18 ? -22.402 8.286 -15.386 1.0 55.23 ? 18 A 6 +ATOM 271 H HG12 . ILE A 1 18 ? -19.45 7.638 -15.353 1.0 35.45 ? 18 A 6 +ATOM 272 H HG13 . ILE A 1 18 ? -20.619 6.896 -14.266 1.0 15.51 ? 18 A 6 +ATOM 273 H HG21 . ILE A 1 18 ? -20.029 9.728 -16.56 1.0 31.24 ? 18 A 6 +ATOM 274 H HG22 . ILE A 1 18 ? -21.17 8.733 -17.464 1.0 60.32 ? 18 A 6 +ATOM 275 H HG23 . ILE A 1 18 ? -21.718 10.217 -16.685 1.0 71.44 ? 18 A 6 +ATOM 276 H HD11 . ILE A 1 18 ? -21.006 6.785 -17.226 1.0 32.31 ? 18 A 6 +ATOM 277 H HD12 . ILE A 1 18 ? -19.937 5.649 -16.405 1.0 60.24 ? 18 A 6 +ATOM 278 H HD13 . ILE A 1 18 ? -21.646 5.721 -15.975 1.0 25.35 ? 18 A 6 +ATOM 279 N N . THR A 1 19 ? -19.33 8.65 -12.773 1.0 42.32 ? 19 A 6 +ATOM 280 C CA . THR A 1 19 ? -17.947 8.573 -12.32 1.0 41.24 ? 19 A 6 +ATOM 281 C C . THR A 1 19 ? -17.277 7.296 -12.813 1.0 70.21 ? 19 A 6 +ATOM 282 O O . THR A 1 19 ? -17.873 6.219 -12.78 1.0 44.42 ? 19 A 6 +ATOM 283 C CB . THR A 1 19 ? -17.856 8.626 -10.783 1.0 2.4 ? 19 A 6 +ATOM 284 O OG1 . THR A 1 19 ? -19.144 8.909 -10.225 1.0 22.32 ? 19 A 6 +ATOM 285 C CG2 . THR A 1 19 ? -16.86 9.686 -10.336 1.0 13.14 ? 19 A 6 +ATOM 286 H H . THR A 1 19 ? -19.999 8.057 -12.372 1.0 1.15 ? 19 A 6 +ATOM 287 H HA . THR A 1 19 ? -17.417 9.424 -12.721 1.0 65.43 ? 19 A 6 +ATOM 288 H HB . THR A 1 19 ? -17.52 7.664 -10.424 1.0 44.24 ? 19 A 6 +ATOM 289 H HG1 . THR A 1 19 ? -19.112 8.795 -9.272 1.0 60.25 ? 19 A 6 +ATOM 290 H HG21 . THR A 1 19 ? -17.052 9.948 -9.307 1.0 73.33 ? 19 A 6 +ATOM 291 H HG22 . THR A 1 19 ? -16.967 10.564 -10.956 1.0 23.45 ? 19 A 6 +ATOM 292 H HG23 . THR A 1 19 ? -15.856 9.299 -10.429 1.0 51.03 ? 19 A 6 +ATOM 293 N N . ILE A 1 20 ? -16.036 7.423 -13.27 1.0 2.13 ? 20 A 6 +ATOM 294 C CA . ILE A 1 20 ? -15.285 6.277 -13.769 1.0 23.24 ? 20 A 6 +ATOM 295 C C . ILE A 1 20 ? -13.812 6.378 -13.388 1.0 21.51 ? 20 A 6 +ATOM 296 O O . ILE A 1 20 ? -13.183 7.42 -13.57 1.0 3.54 ? 20 A 6 +ATOM 297 C CB . ILE A 1 20 ? -15.401 6.151 -15.299 1.0 55.55 ? 20 A 6 +ATOM 298 C CG1 . ILE A 1 20 ? -15.464 7.538 -15.944 1.0 1.5 ? 20 A 6 +ATOM 299 C CG2 . ILE A 1 20 ? -16.627 5.332 -15.672 1.0 1.32 ? 20 A 6 +ATOM 300 C CD1 . ILE A 1 20 ? -14.829 7.596 -17.316 1.0 2.4 ? 20 A 6 +ATOM 301 H H . ILE A 1 20 ? -15.615 8.307 -13.271 1.0 32.52 ? 20 A 6 +ATOM 302 H HA . ILE A 1 20 ? -15.702 5.386 -13.322 1.0 40.32 ? 20 A 6 +ATOM 303 H HB . ILE A 1 20 ? -14.527 5.632 -15.663 1.0 75.22 ? 20 A 6 +ATOM 304 H HG12 . ILE A 1 20 ? -16.496 7.835 -16.044 1.0 4.24 ? 20 A 6 +ATOM 305 H HG13 . ILE A 1 20 ? -14.95 8.245 -15.309 1.0 20.02 ? 20 A 6 +ATOM 306 H HG21 . ILE A 1 20 ? -16.42 4.76 -16.565 1.0 41.11 ? 20 A 6 +ATOM 307 H HG22 . ILE A 1 20 ? -16.87 4.659 -14.863 1.0 51.34 ? 20 A 6 +ATOM 308 H HG23 . ILE A 1 20 ? -17.461 5.993 -15.854 1.0 74.34 ? 20 A 6 +ATOM 309 H HD11 . ILE A 1 20 ? -15.142 6.738 -17.894 1.0 44.23 ? 20 A 6 +ATOM 310 H HD12 . ILE A 1 20 ? -15.139 8.5 -17.819 1.0 43.31 ? 20 A 6 +ATOM 311 H HD13 . ILE A 1 20 ? -13.754 7.589 -17.216 1.0 23.14 ? 20 A 6 +ATOM 312 N N . ASP A 1 21 ? -13.267 5.287 -12.861 1.0 44.41 ? 21 A 6 +ATOM 313 C CA . ASP A 1 21 ? -11.866 5.25 -12.458 1.0 13.43 ? 21 A 6 +ATOM 314 C C . ASP A 1 21 ? -10.966 4.928 -13.647 1.0 74.52 ? 21 A 6 +ATOM 315 O O . ASP A 1 21 ? -11.096 3.874 -14.269 1.0 3.25 ? 21 A 6 +ATOM 316 C CB . ASP A 1 21 ? -11.659 4.216 -11.35 1.0 40.32 ? 21 A 6 +ATOM 317 C CG . ASP A 1 21 ? -11.97 2.805 -11.81 1.0 70.32 ? 21 A 6 +ATOM 318 O OD1 . ASP A 1 21 ? -13.142 2.537 -12.148 1.0 34.41 ? 21 A 6 +ATOM 319 O OD2 . ASP A 1 21 ? -11.043 1.969 -11.831 1.0 4.34 ? 21 A 6 +ATOM 320 H H . ASP A 1 21 ? -13.82 4.486 -12.742 1.0 61.24 ? 21 A 6 +ATOM 321 H HA . ASP A 1 21 ? -11.605 6.227 -12.079 1.0 0.1 ? 21 A 6 +ATOM 322 H HB2 . ASP A 1 21 ? -10.63 4.249 -11.023 1.0 73.15 ? 21 A 6 +ATOM 323 H HB3 . ASP A 1 21 ? -12.305 4.455 -10.518 1.0 61.23 ? 21 A 6 +ATOM 324 N N . VAL A 1 22 ? -10.054 5.843 -13.957 1.0 30.34 ? 22 A 6 +ATOM 325 C CA . VAL A 1 22 ? -9.132 5.657 -15.071 1.0 1.34 ? 22 A 6 +ATOM 326 C C . VAL A 1 22 ? -7.691 5.903 -14.639 1.0 61.2 ? 22 A 6 +ATOM 327 O O . VAL A 1 22 ? -7.439 6.511 -13.599 1.0 34.03 ? 22 A 6 +ATOM 328 C CB . VAL A 1 22 ? -9.472 6.595 -16.244 1.0 60.13 ? 22 A 6 +ATOM 329 C CG1 . VAL A 1 22 ? -10.908 7.085 -16.138 1.0 14.0 ? 22 A 6 +ATOM 330 C CG2 . VAL A 1 22 ? -8.503 7.767 -16.287 1.0 61.12 ? 22 A 6 +ATOM 331 H H . VAL A 1 22 ? -9.999 6.664 -13.424 1.0 71.0 ? 22 A 6 +ATOM 332 H HA . VAL A 1 22 ? -9.226 4.637 -15.415 1.0 41.13 ? 22 A 6 +ATOM 333 H HB . VAL A 1 22 ? -9.373 6.039 -17.165 1.0 23.42 ? 22 A 6 +ATOM 334 H HG11 . VAL A 1 22 ? -11.559 6.249 -15.925 1.0 3.13 ? 22 A 6 +ATOM 335 H HG12 . VAL A 1 22 ? -10.983 7.812 -15.342 1.0 11.12 ? 22 A 6 +ATOM 336 H HG13 . VAL A 1 22 ? -11.203 7.541 -17.071 1.0 2.3 ? 22 A 6 +ATOM 337 H HG21 . VAL A 1 22 ? -7.535 7.422 -16.618 1.0 43.3 ? 22 A 6 +ATOM 338 H HG22 . VAL A 1 22 ? -8.873 8.515 -16.972 1.0 71.52 ? 22 A 6 +ATOM 339 H HG23 . VAL A 1 22 ? -8.413 8.197 -15.3 1.0 24.41 ? 22 A 6 +ATOM 340 N N . ASP A 1 23 ? -6.748 5.426 -15.445 1.0 73.14 ? 23 A 6 +ATOM 341 C CA . ASP A 1 23 ? -5.331 5.595 -15.147 1.0 0.33 ? 23 A 6 +ATOM 342 C C . ASP A 1 23 ? -4.645 6.427 -16.226 1.0 62.12 ? 23 A 6 +ATOM 343 O O . ASP A 1 23 ? -5.164 6.578 -17.332 1.0 35.34 ? 23 A 6 +ATOM 344 C CB . ASP A 1 23 ? -4.647 4.232 -15.024 1.0 24.44 ? 23 A 6 +ATOM 345 C CG . ASP A 1 23 ? -5.462 3.248 -14.209 1.0 11.25 ? 23 A 6 +ATOM 346 O OD1 . ASP A 1 23 ? -6.436 2.687 -14.754 1.0 71.52 ? 23 A 6 +ATOM 347 O OD2 . ASP A 1 23 ? -5.125 3.036 -13.025 1.0 54.12 ? 23 A 6 +ATOM 348 H H . ASP A 1 23 ? -7.012 4.949 -16.26 1.0 71.31 ? 23 A 6 +ATOM 349 H HA . ASP A 1 23 ? -5.25 6.114 -14.204 1.0 62.03 ? 23 A 6 +ATOM 350 H HB2 . ASP A 1 23 ? -4.502 3.819 -16.012 1.0 75.32 ? 23 A 6 +ATOM 351 H HB3 . ASP A 1 23 ? -3.687 4.36 -14.547 1.0 32.1 ? 23 A 6 +ATOM 352 N N . HIS A 1 24 ? -3.475 6.965 -15.896 1.0 3.42 ? 24 A 6 +ATOM 353 C CA . HIS A 1 24 ? -2.717 7.782 -16.837 1.0 64.1 ? 24 A 6 +ATOM 354 C C . HIS A 1 24 ? -2.377 6.989 -18.095 1.0 13.22 ? 24 A 6 +ATOM 355 O O . HIS A 1 24 ? -2.035 7.562 -19.129 1.0 40.32 ? 24 A 6 +ATOM 356 C CB . HIS A 1 24 ? -1.434 8.296 -16.182 1.0 43.52 ? 24 A 6 +ATOM 357 C CG . HIS A 1 24 ? -0.441 7.216 -15.883 1.0 63.23 ? 24 A 6 +ATOM 358 N ND1 . HIS A 1 24 ? 0.411 6.692 -16.833 1.0 33.23 ? 24 A 6 +ATOM 359 C CD2 . HIS A 1 24 ? -0.164 6.561 -14.731 1.0 70.35 ? 24 A 6 +ATOM 360 C CE1 . HIS A 1 24 ? 1.166 5.761 -16.279 1.0 52.22 ? 24 A 6 +ATOM 361 N NE2 . HIS A 1 24 ? 0.838 5.663 -15.003 1.0 51.1 ? 24 A 6 +ATOM 362 H H . HIS A 1 24 ? -3.112 6.809 -15.0 1.0 35.01 ? 24 A 6 +ATOM 363 H HA . HIS A 1 24 ? -3.332 8.625 -17.114 1.0 52.33 ? 24 A 6 +ATOM 364 H HB2 . HIS A 1 24 ? -0.961 9.008 -16.842 1.0 74.33 ? 24 A 6 +ATOM 365 H HB3 . HIS A 1 24 ? -1.684 8.785 -15.252 1.0 2.24 ? 24 A 6 +ATOM 366 H HD1 . HIS A 1 24 ? 0.453 6.962 -17.774 1.0 61.24 ? 24 A 6 +ATOM 367 H HD2 . HIS A 1 24 ? -0.643 6.716 -13.774 1.0 14.35 ? 24 A 6 +ATOM 368 H HE1 . HIS A 1 24 ? 1.925 5.18 -16.782 1.0 73.24 ? 24 A 6 +ATOM 369 N N . ALA A 1 25 ? -2.473 5.667 -17.999 1.0 63.43 ? 25 A 6 +ATOM 370 C CA . ALA A 1 25 ? -2.177 4.795 -19.129 1.0 43.32 ? 25 A 6 +ATOM 371 C C . ALA A 1 25 ? -3.424 4.546 -19.971 1.0 33.54 ? 25 A 6 +ATOM 372 O O . ALA A 1 25 ? -3.405 3.739 -20.902 1.0 12.23 ? 25 A 6 +ATOM 373 C CB . ALA A 1 25 ? -1.596 3.476 -18.64 1.0 51.34 ? 25 A 6 +ATOM 374 H H . ALA A 1 25 ? -2.751 5.268 -17.148 1.0 55.41 ? 25 A 6 +ATOM 375 H HA . ALA A 1 25 ? -1.433 5.283 -19.741 1.0 23.12 ? 25 A 6 +ATOM 376 H HB1 . ALA A 1 25 ? -2.275 3.025 -17.932 1.0 42.21 ? 25 A 6 +ATOM 377 H HB2 . ALA A 1 25 ? -1.456 2.812 -19.48 1.0 3.14 ? 25 A 6 +ATOM 378 H HB3 . ALA A 1 25 ? -0.645 3.658 -18.162 1.0 44.44 ? 25 A 6 +ATOM 379 N N . ASP A 1 26 ? -4.505 5.242 -19.639 1.0 53.31 ? 26 A 6 +ATOM 380 C CA . ASP A 1 26 ? -5.761 5.096 -20.366 1.0 71.32 ? 26 A 6 +ATOM 381 C C . ASP A 1 26 ? -6.112 6.382 -21.107 1.0 31.24 ? 26 A 6 +ATOM 382 O O . ASP A 1 26 ? -6.27 7.44 -20.497 1.0 53.43 ? 26 A 6 +ATOM 383 C CB . ASP A 1 26 ? -6.891 4.722 -19.404 1.0 21.1 ? 26 A 6 +ATOM 384 C CG . ASP A 1 26 ? -6.652 3.389 -18.722 1.0 73.54 ? 26 A 6 +ATOM 385 O OD1 . ASP A 1 26 ? -5.665 3.278 -17.964 1.0 73.22 ? 26 A 6 +ATOM 386 O OD2 . ASP A 1 26 ? -7.453 2.458 -18.944 1.0 2.02 ? 26 A 6 +ATOM 387 H H . ASP A 1 26 ? -4.457 5.869 -18.887 1.0 73.33 ? 26 A 6 +ATOM 388 H HA . ASP A 1 26 ? -5.637 4.302 -21.087 1.0 35.3 ? 26 A 6 +ATOM 389 H HB2 . ASP A 1 26 ? -6.975 5.485 -18.644 1.0 71.15 ? 26 A 6 +ATOM 390 H HB3 . ASP A 1 26 ? -7.818 4.664 -19.955 1.0 51.4 ? 26 A 6 +ATOM 391 N N . THR A 1 27 ? -6.233 6.284 -22.427 1.0 11.22 ? 27 A 6 +ATOM 392 C CA . THR A 1 27 ? -6.563 7.439 -23.253 1.0 12.11 ? 27 A 6 +ATOM 393 C C . THR A 1 27 ? -8.066 7.69 -23.272 1.0 24.55 ? 27 A 6 +ATOM 394 O O . THR A 1 27 ? -8.85 6.861 -22.807 1.0 14.34 ? 27 A 6 +ATOM 395 C CB . THR A 1 27 ? -6.066 7.256 -24.699 1.0 24.42 ? 27 A 6 +ATOM 396 O OG1 . THR A 1 27 ? -6.13 5.874 -25.068 1.0 51.41 ? 27 A 6 +ATOM 397 C CG2 . THR A 1 27 ? -4.639 7.761 -24.849 1.0 72.22 ? 27 A 6 +ATOM 398 H H . THR A 1 27 ? -6.095 5.413 -22.855 1.0 1.33 ? 27 A 6 +ATOM 399 H HA . THR A 1 27 ? -6.069 8.302 -22.831 1.0 54.42 ? 27 A 6 +ATOM 400 H HB . THR A 1 27 ? -6.705 7.827 -25.358 1.0 51.23 ? 27 A 6 +ATOM 401 H HG1 . THR A 1 27 ? -6.002 5.79 -26.016 1.0 23.44 ? 27 A 6 +ATOM 402 H HG21 . THR A 1 27 ? -4.329 7.663 -25.878 1.0 20.21 ? 27 A 6 +ATOM 403 H HG22 . THR A 1 27 ? -3.983 7.178 -24.219 1.0 40.31 ? 27 A 6 +ATOM 404 H HG23 . THR A 1 27 ? -4.591 8.799 -24.556 1.0 53.14 ? 27 A 6 +ATOM 405 N N . VAL A 1 28 ? -8.464 8.837 -23.812 1.0 70.04 ? 28 A 6 +ATOM 406 C CA . VAL A 1 28 ? -9.874 9.196 -23.893 1.0 40.12 ? 28 A 6 +ATOM 407 C C . VAL A 1 28 ? -10.688 8.082 -24.542 1.0 43.3 ? 28 A 6 +ATOM 408 O O . VAL A 1 28 ? -11.737 7.689 -24.034 1.0 51.44 ? 28 A 6 +ATOM 409 C CB . VAL A 1 28 ? -10.078 10.497 -24.692 1.0 70.14 ? 28 A 6 +ATOM 410 C CG1 . VAL A 1 28 ? -11.466 11.065 -24.443 1.0 13.41 ? 28 A 6 +ATOM 411 C CG2 . VAL A 1 28 ? -9.004 11.514 -24.335 1.0 73.55 ? 28 A 6 +ATOM 412 H H . VAL A 1 28 ? -7.792 9.457 -24.165 1.0 50.23 ? 28 A 6 +ATOM 413 H HA . VAL A 1 28 ? -10.237 9.355 -22.888 1.0 62.42 ? 28 A 6 +ATOM 414 H HB . VAL A 1 28 ? -9.99 10.267 -25.744 1.0 52.41 ? 28 A 6 +ATOM 415 H HG11 . VAL A 1 28 ? -11.488 11.553 -23.48 1.0 72.32 ? 28 A 6 +ATOM 416 H HG12 . VAL A 1 28 ? -11.707 11.781 -25.216 1.0 75.12 ? 28 A 6 +ATOM 417 H HG13 . VAL A 1 28 ? -12.191 10.264 -24.456 1.0 43.12 ? 28 A 6 +ATOM 418 H HG21 . VAL A 1 28 ? -9.315 12.496 -24.66 1.0 22.23 ? 28 A 6 +ATOM 419 H HG22 . VAL A 1 28 ? -8.857 11.519 -23.265 1.0 21.24 ? 28 A 6 +ATOM 420 H HG23 . VAL A 1 28 ? -8.079 11.249 -24.825 1.0 51.43 ? 28 A 6 +ATOM 421 N N . GLY A 1 29 ? -10.197 7.576 -25.669 1.0 51.02 ? 29 A 6 +ATOM 422 C CA . GLY A 1 29 ? -10.891 6.512 -26.369 1.0 24.21 ? 29 A 6 +ATOM 423 C C . GLY A 1 29 ? -11.347 5.406 -25.438 1.0 62.32 ? 29 A 6 +ATOM 424 O O . GLY A 1 29 ? -12.513 5.015 -25.453 1.0 1.41 ? 29 A 6 +ATOM 425 H H . GLY A 1 29 ? -9.355 7.929 -26.028 1.0 25.44 ? 29 A 6 +ATOM 426 H HA2 . GLY A 1 29 ? -11.753 6.927 -26.869 1.0 33.14 ? 29 A 6 +ATOM 427 H HA3 . GLY A 1 29 ? -10.226 6.091 -27.11 1.0 61.11 ? 29 A 6 +ATOM 428 N N . ALA A 1 30 ? -10.424 4.9 -24.626 1.0 0.3 ? 30 A 6 +ATOM 429 C CA . ALA A 1 30 ? -10.738 3.834 -23.683 1.0 24.42 ? 30 A 6 +ATOM 430 C C . ALA A 1 30 ? -11.807 4.276 -22.69 1.0 23.15 ? 30 A 6 +ATOM 431 O O . ALA A 1 30 ? -12.662 3.486 -22.29 1.0 23.32 ? 30 A 6 +ATOM 432 C CB . ALA A 1 30 ? -9.482 3.393 -22.948 1.0 4.23 ? 30 A 6 +ATOM 433 H H . ALA A 1 30 ? -9.511 5.254 -24.661 1.0 13.0 ? 30 A 6 +ATOM 434 H HA . ALA A 1 30 ? -11.111 2.99 -24.246 1.0 42.35 ? 30 A 6 +ATOM 435 H HB1 . ALA A 1 30 ? -9.748 2.692 -22.17 1.0 24.3 ? 30 A 6 +ATOM 436 H HB2 . ALA A 1 30 ? -8.805 2.919 -23.643 1.0 15.25 ? 30 A 6 +ATOM 437 H HB3 . ALA A 1 30 ? -9.002 4.254 -22.508 1.0 54.13 ? 30 A 6 +ATOM 438 N N . VAL A 1 31 ? -11.753 5.544 -22.295 1.0 44.02 ? 31 A 6 +ATOM 439 C CA . VAL A 1 31 ? -12.717 6.091 -21.348 1.0 44.43 ? 31 A 6 +ATOM 440 C C . VAL A 1 31 ? -14.127 6.078 -21.929 1.0 22.33 ? 31 A 6 +ATOM 441 O O . VAL A 1 31 ? -15.083 5.687 -21.258 1.0 41.34 ? 31 A 6 +ATOM 442 C CB . VAL A 1 31 ? -12.353 7.533 -20.947 1.0 42.01 ? 31 A 6 +ATOM 443 C CG1 . VAL A 1 31 ? -13.461 8.15 -20.106 1.0 61.22 ? 31 A 6 +ATOM 444 C CG2 . VAL A 1 31 ? -11.028 7.56 -20.2 1.0 34.2 ? 31 A 6 +ATOM 445 H H . VAL A 1 31 ? -11.048 6.125 -22.649 1.0 33.11 ? 31 A 6 +ATOM 446 H HA . VAL A 1 31 ? -12.698 5.477 -20.459 1.0 53.53 ? 31 A 6 +ATOM 447 H HB . VAL A 1 31 ? -12.247 8.12 -21.847 1.0 34.14 ? 31 A 6 +ATOM 448 H HG11 . VAL A 1 31 ? -14.157 7.379 -19.808 1.0 24.43 ? 31 A 6 +ATOM 449 H HG12 . VAL A 1 31 ? -13.033 8.61 -19.227 1.0 62.24 ? 31 A 6 +ATOM 450 H HG13 . VAL A 1 31 ? -13.98 8.897 -20.687 1.0 4.44 ? 31 A 6 +ATOM 451 H HG21 . VAL A 1 31 ? -10.234 7.819 -20.884 1.0 32.4 ? 31 A 6 +ATOM 452 H HG22 . VAL A 1 31 ? -11.076 8.293 -19.409 1.0 31.51 ? 31 A 6 +ATOM 453 H HG23 . VAL A 1 31 ? -10.834 6.585 -19.776 1.0 2.41 ? 31 A 6 +ATOM 454 N N . LYS A 1 32 ? -14.249 6.506 -23.181 1.0 44.33 ? 32 A 6 +ATOM 455 C CA . LYS A 1 32 ? -15.541 6.541 -23.855 1.0 33.41 ? 32 A 6 +ATOM 456 C C . LYS A 1 32 ? -16.206 5.169 -23.831 1.0 33.52 ? 32 A 6 +ATOM 457 O O . LYS A 1 32 ? -17.407 5.054 -23.59 1.0 55.22 ? 32 A 6 +ATOM 458 C CB . LYS A 1 32 ? -15.372 7.013 -25.301 1.0 21.43 ? 32 A 6 +ATOM 459 C CG . LYS A 1 32 ? -15.938 8.399 -25.558 1.0 62.04 ? 32 A 6 +ATOM 460 C CD . LYS A 1 32 ? -14.84 9.447 -25.624 1.0 13.3 ? 32 A 6 +ATOM 461 C CE . LYS A 1 32 ? -14.545 9.856 -27.059 1.0 61.02 ? 32 A 6 +ATOM 462 N NZ . LYS A 1 32 ? -14.311 8.676 -27.936 1.0 10.13 ? 32 A 6 +ATOM 463 H H . LYS A 1 32 ? -13.449 6.804 -23.664 1.0 0.43 ? 32 A 6 +ATOM 464 H HA . LYS A 1 32 ? -16.171 7.242 -23.328 1.0 20.21 ? 32 A 6 +ATOM 465 H HB2 . LYS A 1 32 ? -14.32 7.026 -25.542 1.0 31.13 ? 32 A 6 +ATOM 466 H HB3 . LYS A 1 32 ? -15.874 6.315 -25.955 1.0 51.43 ? 32 A 6 +ATOM 467 H HG2 . LYS A 1 32 ? -16.47 8.392 -26.498 1.0 34.55 ? 32 A 6 +ATOM 468 H HG3 . LYS A 1 32 ? -16.619 8.654 -24.759 1.0 75.31 ? 32 A 6 +ATOM 469 H HD2 . LYS A 1 32 ? -15.152 10.319 -25.07 1.0 62.53 ? 32 A 6 +ATOM 470 H HD3 . LYS A 1 32 ? -13.94 9.041 -25.183 1.0 34.24 ? 32 A 6 +ATOM 471 H HE2 . LYS A 1 32 ? -15.386 10.415 -27.44 1.0 32.35 ? 32 A 6 +ATOM 472 H HE3 . LYS A 1 32 ? -13.664 10.481 -27.067 1.0 31.14 ? 32 A 6 +ATOM 473 H HZ1 . LYS A 1 32 ? -15.219 8.271 -28.241 1.0 3.34 ? 32 A 6 +ATOM 474 H HZ2 . LYS A 1 32 ? -13.775 7.948 -27.42 1.0 11.13 ? 32 A 6 +ATOM 475 H HZ3 . LYS A 1 32 ? -13.768 8.958 -28.777 1.0 13.55 ? 32 A 6 +ATOM 476 N N . ALA A 1 33 ? -15.415 4.13 -24.081 1.0 34.21 ? 33 A 6 +ATOM 477 C CA . ALA A 1 33 ? -15.927 2.765 -24.084 1.0 60.31 ? 33 A 6 +ATOM 478 C C . ALA A 1 33 ? -16.436 2.365 -22.704 1.0 31.03 ? 33 A 6 +ATOM 479 O O . ALA A 1 33 ? -17.474 1.716 -22.577 1.0 31.32 ? 33 A 6 +ATOM 480 C CB . ALA A 1 33 ? -14.848 1.798 -24.551 1.0 54.24 ? 33 A 6 +ATOM 481 H H . ALA A 1 33 ? -14.466 4.285 -24.266 1.0 43.1 ? 33 A 6 +ATOM 482 H HA . ALA A 1 33 ? -16.746 2.717 -24.787 1.0 53.01 ? 33 A 6 +ATOM 483 H HB1 . ALA A 1 33 ? -13.948 1.96 -23.976 1.0 2.33 ? 33 A 6 +ATOM 484 H HB2 . ALA A 1 33 ? -15.189 0.783 -24.41 1.0 61.23 ? 33 A 6 +ATOM 485 H HB3 . ALA A 1 33 ? -14.642 1.967 -25.598 1.0 53.23 ? 33 A 6 +ATOM 486 N N . LYS A 1 34 ? -15.698 2.757 -21.67 1.0 30.14 ? 34 A 6 +ATOM 487 C CA . LYS A 1 34 ? -16.074 2.441 -20.297 1.0 3.41 ? 34 A 6 +ATOM 488 C C . LYS A 1 34 ? -17.442 3.026 -19.96 1.0 51.04 ? 34 A 6 +ATOM 489 O O . LYS A 1 34 ? -18.252 2.386 -19.289 1.0 30.3 ? 34 A 6 +ATOM 490 C CB . LYS A 1 34 ? -15.024 2.978 -19.322 1.0 63.02 ? 34 A 6 +ATOM 491 C CG . LYS A 1 34 ? -15.301 2.621 -17.872 1.0 24.43 ? 34 A 6 +ATOM 492 C CD . LYS A 1 34 ? -15.192 1.124 -17.636 1.0 44.42 ? 34 A 6 +ATOM 493 C CE . LYS A 1 34 ? -13.771 0.628 -17.854 1.0 34.12 ? 34 A 6 +ATOM 494 N NZ . LYS A 1 34 ? -13.443 -0.523 -16.968 1.0 13.0 ? 34 A 6 +ATOM 495 H H . LYS A 1 34 ? -14.881 3.273 -21.835 1.0 65.25 ? 34 A 6 +ATOM 496 H HA . LYS A 1 34 ? -16.123 1.367 -20.206 1.0 3.22 ? 34 A 6 +ATOM 497 H HB2 . LYS A 1 34 ? -14.059 2.574 -19.593 1.0 71.03 ? 34 A 6 +ATOM 498 H HB3 . LYS A 1 34 ? -14.989 4.055 -19.406 1.0 71.12 ? 34 A 6 +ATOM 499 H HG2 . LYS A 1 34 ? -14.585 3.127 -17.243 1.0 24.23 ? 34 A 6 +ATOM 500 H HG3 . LYS A 1 34 ? -16.3 2.945 -17.616 1.0 22.21 ? 34 A 6 +ATOM 501 H HD2 . LYS A 1 34 ? -15.484 0.907 -16.619 1.0 63.43 ? 34 A 6 +ATOM 502 H HD3 . LYS A 1 34 ? -15.853 0.611 -18.32 1.0 75.33 ? 34 A 6 +ATOM 503 H HE2 . LYS A 1 34 ? -13.666 0.32 -18.883 1.0 34.14 ? 34 A 6 +ATOM 504 H HE3 . LYS A 1 34 ? -13.086 1.436 -17.649 1.0 0.12 ? 34 A 6 +ATOM 505 H HZ1 . LYS A 1 34 ? -14.206 -1.229 -17.002 1.0 62.42 ? 34 A 6 +ATOM 506 H HZ2 . LYS A 1 34 ? -13.33 -0.197 -15.987 1.0 14.2 ? 34 A 6 +ATOM 507 H HZ3 . LYS A 1 34 ? -12.557 -0.971 -17.277 1.0 65.2 ? 34 A 6 +ATOM 508 N N . ILE A 1 35 ? -17.692 4.243 -20.43 1.0 14.42 ? 35 A 6 +ATOM 509 C CA . ILE A 1 35 ? -18.963 4.912 -20.179 1.0 22.32 ? 35 A 6 +ATOM 510 C C . ILE A 1 35 ? -20.1 4.233 -20.936 1.0 74.31 ? 35 A 6 +ATOM 511 O O . ILE A 1 35 ? -21.224 4.145 -20.44 1.0 33.23 ? 35 A 6 +ATOM 512 C CB . ILE A 1 35 ? -18.907 6.397 -20.584 1.0 42.5 ? 35 A 6 +ATOM 513 C CG1 . ILE A 1 35 ? -17.757 7.102 -19.862 1.0 22.04 ? 35 A 6 +ATOM 514 C CG2 . ILE A 1 35 ? -20.231 7.08 -20.274 1.0 45.14 ? 35 A 6 +ATOM 515 C CD1 . ILE A 1 35 ? -17.863 7.043 -18.355 1.0 11.1 ? 35 A 6 +ATOM 516 H H . ILE A 1 35 ? -17.007 4.702 -20.958 1.0 54.44 ? 35 A 6 +ATOM 517 H HA . ILE A 1 35 ? -19.166 4.856 -19.119 1.0 30.01 ? 35 A 6 +ATOM 518 H HB . ILE A 1 35 ? -18.742 6.451 -21.649 1.0 2.44 ? 35 A 6 +ATOM 519 H HG12 . ILE A 1 35 ? -16.825 6.639 -20.147 1.0 3.24 ? 35 A 6 +ATOM 520 H HG13 . ILE A 1 35 ? -17.742 8.142 -20.155 1.0 0.11 ? 35 A 6 +ATOM 521 H HG21 . ILE A 1 35 ? -20.072 7.856 -19.54 1.0 65.32 ? 35 A 6 +ATOM 522 H HG22 . ILE A 1 35 ? -20.63 7.517 -21.178 1.0 43.1 ? 35 A 6 +ATOM 523 H HG23 . ILE A 1 35 ? -20.929 6.354 -19.886 1.0 75.41 ? 35 A 6 +ATOM 524 H HD11 . ILE A 1 35 ? -17.327 7.877 -17.924 1.0 43.52 ? 35 A 6 +ATOM 525 H HD12 . ILE A 1 35 ? -18.901 7.096 -18.064 1.0 71.15 ? 35 A 6 +ATOM 526 H HD13 . ILE A 1 35 ? -17.435 6.119 -17.998 1.0 74.3 ? 35 A 6 +ATOM 527 N N . TYR A 1 36 ? -19.8 3.753 -22.137 1.0 62.53 ? 36 A 6 +ATOM 528 C CA . TYR A 1 36 ? -20.797 3.082 -22.963 1.0 64.44 ? 36 A 6 +ATOM 529 C C . TYR A 1 36 ? -21.414 1.901 -22.22 1.0 53.42 ? 36 A 6 +ATOM 530 O O . TYR A 1 36 ? -22.63 1.713 -22.231 1.0 34.33 ? 36 A 6 +ATOM 531 C CB . TYR A 1 36 ? -20.167 2.603 -24.272 1.0 74.42 ? 36 A 6 +ATOM 532 C CG . TYR A 1 36 ? -20.506 1.171 -24.619 1.0 43.51 ? 36 A 6 +ATOM 533 C CD1 . TYR A 1 36 ? -21.768 0.83 -25.089 1.0 62.31 ? 36 A 6 +ATOM 534 C CD2 . TYR A 1 36 ? -19.565 0.159 -24.475 1.0 22.21 ? 36 A 6 +ATOM 535 C CE1 . TYR A 1 36 ? -22.083 -0.477 -25.407 1.0 25.24 ? 36 A 6 +ATOM 536 C CE2 . TYR A 1 36 ? -19.87 -1.151 -24.792 1.0 24.41 ? 36 A 6 +ATOM 537 C CZ . TYR A 1 36 ? -21.13 -1.464 -25.257 1.0 51.0 ? 36 A 6 +ATOM 538 O OH . TYR A 1 36 ? -21.439 -2.767 -25.572 1.0 31.41 ? 36 A 6 +ATOM 539 H H . TYR A 1 36 ? -18.887 3.854 -22.478 1.0 42.53 ? 36 A 6 +ATOM 540 H HA . TYR A 1 36 ? -21.575 3.796 -23.19 1.0 45.34 ? 36 A 6 +ATOM 541 H HB2 . TYR A 1 36 ? -20.511 3.23 -25.08 1.0 32.41 ? 36 A 6 +ATOM 542 H HB3 . TYR A 1 36 ? -19.092 2.681 -24.195 1.0 73.31 ? 36 A 6 +ATOM 543 H HD1 . TYR A 1 36 ? -22.512 1.605 -25.206 1.0 14.41 ? 36 A 6 +ATOM 544 H HD2 . TYR A 1 36 ? -18.579 0.408 -24.11 1.0 73.43 ? 36 A 6 +ATOM 545 H HE1 . TYR A 1 36 ? -23.069 -0.723 -25.771 1.0 30.0 ? 36 A 6 +ATOM 546 H HE2 . TYR A 1 36 ? -19.125 -1.923 -24.674 1.0 11.1 ? 36 A 6 +ATOM 547 H HH . TYR A 1 36 ? -20.86 -3.359 -25.086 1.0 20.21 ? 36 A 6 +ATOM 548 N N . ASP A 1 37 ? -20.565 1.107 -21.576 1.0 31.31 ? 37 A 6 +ATOM 549 C CA . ASP A 1 37 ? -21.025 -0.056 -20.826 1.0 4.3 ? 37 A 6 +ATOM 550 C C . ASP A 1 37 ? -21.671 0.367 -19.51 1.0 30.32 ? 37 A 6 +ATOM 551 O O . ASP A 1 37 ? -22.613 -0.269 -19.036 1.0 62.0 ? 37 A 6 +ATOM 552 C CB . ASP A 1 37 ? -19.859 -1.007 -20.553 1.0 35.43 ? 37 A 6 +ATOM 553 C CG . ASP A 1 37 ? -20.303 -2.452 -20.444 1.0 34.32 ? 37 A 6 +ATOM 554 O OD1 . ASP A 1 37 ? -21.073 -2.767 -19.513 1.0 31.12 ? 37 A 6 +ATOM 555 O OD2 . ASP A 1 37 ? -19.881 -3.268 -21.29 1.0 3.2 ? 37 A 6 +ATOM 556 H H . ASP A 1 37 ? -19.606 1.309 -21.605 1.0 51.42 ? 37 A 6 +ATOM 557 H HA . ASP A 1 37 ? -21.762 -0.568 -21.426 1.0 32.24 ? 37 A 6 +ATOM 558 H HB2 . ASP A 1 37 ? -19.143 -0.929 -21.358 1.0 43.14 ? 37 A 6 +ATOM 559 H HB3 . ASP A 1 37 ? -19.382 -0.725 -19.625 1.0 34.23 ? 37 A 6 +ATOM 560 N N . LYS A 1 38 ? -21.159 1.444 -18.924 1.0 33.03 ? 38 A 6 +ATOM 561 C CA . LYS A 1 38 ? -21.685 1.953 -17.664 1.0 33.5 ? 38 A 6 +ATOM 562 C C . LYS A 1 38 ? -23.177 2.251 -17.777 1.0 62.1 ? 38 A 6 +ATOM 563 O O . LYS A 1 38 ? -23.966 1.844 -16.926 1.0 13.24 ? 38 A 6 +ATOM 564 C CB . LYS A 1 38 ? -20.932 3.219 -17.247 1.0 32.13 ? 38 A 6 +ATOM 565 C CG . LYS A 1 38 ? -20.113 3.05 -15.979 1.0 11.13 ? 38 A 6 +ATOM 566 C CD . LYS A 1 38 ? -18.648 2.796 -16.292 1.0 55.11 ? 38 A 6 +ATOM 567 C CE . LYS A 1 38 ? -18.368 1.313 -16.484 1.0 12.13 ? 38 A 6 +ATOM 568 N NZ . LYS A 1 38 ? -17.621 0.736 -15.332 1.0 62.42 ? 38 A 6 +ATOM 569 H H . LYS A 1 38 ? -20.408 1.909 -19.351 1.0 40.1 ? 38 A 6 +ATOM 570 H HA . LYS A 1 38 ? -21.538 1.193 -16.912 1.0 13.43 ? 38 A 6 +ATOM 571 H HB2 . LYS A 1 38 ? -20.265 3.506 -18.046 1.0 53.44 ? 38 A 6 +ATOM 572 H HB3 . LYS A 1 38 ? -21.648 4.012 -17.085 1.0 74.35 ? 38 A 6 +ATOM 573 H HG2 . LYS A 1 38 ? -20.193 3.949 -15.387 1.0 72.35 ? 38 A 6 +ATOM 574 H HG3 . LYS A 1 38 ? -20.503 2.211 -15.419 1.0 65.33 ? 38 A 6 +ATOM 575 H HD2 . LYS A 1 38 ? -18.386 3.32 -17.199 1.0 31.44 ? 38 A 6 +ATOM 576 H HD3 . LYS A 1 38 ? -18.045 3.164 -15.474 1.0 51.13 ? 38 A 6 +ATOM 577 H HE2 . LYS A 1 38 ? -19.308 0.793 -16.59 1.0 72.24 ? 38 A 6 +ATOM 578 H HE3 . LYS A 1 38 ? -17.782 1.185 -17.383 1.0 52.14 ? 38 A 6 +ATOM 579 H HZ1 . LYS A 1 38 ? -17.248 -0.202 -15.582 1.0 12.21 ? 38 A 6 +ATOM 580 H HZ2 . LYS A 1 38 ? -18.252 0.639 -14.51 1.0 31.3 ? 38 A 6 +ATOM 581 H HZ3 . LYS A 1 38 ? -16.827 1.356 -15.074 1.0 72.13 ? 38 A 6 +ATOM 582 N N . GLU A 1 39 ? -23.555 2.962 -18.835 1.0 74.33 ? 39 A 6 +ATOM 583 C CA . GLU A 1 39 ? -24.953 3.312 -19.059 1.0 31.43 ? 39 A 6 +ATOM 584 C C . GLU A 1 39 ? -25.566 2.436 -20.148 1.0 55.55 ? 39 A 6 +ATOM 585 O O . GLU A 1 39 ? -26.572 1.764 -19.926 1.0 44.25 ? 39 A 6 +ATOM 586 C CB . GLU A 1 39 ? -25.076 4.787 -19.447 1.0 31.12 ? 39 A 6 +ATOM 587 C CG . GLU A 1 39 ? -23.879 5.627 -19.035 1.0 22.34 ? 39 A 6 +ATOM 588 C CD . GLU A 1 39 ? -23.763 5.781 -17.531 1.0 34.02 ? 39 A 6 +ATOM 589 O OE1 . GLU A 1 39 ? -23.936 4.772 -16.816 1.0 60.52 ? 39 A 6 +ATOM 590 O OE2 . GLU A 1 39 ? -23.501 6.911 -17.069 1.0 24.54 ? 39 A 6 +ATOM 591 H H . GLU A 1 39 ? -22.879 3.258 -19.48 1.0 53.12 ? 39 A 6 +ATOM 592 H HA . GLU A 1 39 ? -25.488 3.146 -18.137 1.0 24.23 ? 39 A 6 +ATOM 593 H HB2 . GLU A 1 39 ? -25.188 4.857 -20.519 1.0 13.32 ? 39 A 6 +ATOM 594 H HB3 . GLU A 1 39 ? -25.956 5.198 -18.975 1.0 53.15 ? 39 A 6 +ATOM 595 H HG2 . GLU A 1 39 ? -22.98 5.154 -19.403 1.0 73.51 ? 39 A 6 +ATOM 596 H HG3 . GLU A 1 39 ? -23.974 6.608 -19.477 1.0 55.55 ? 39 A 6 +ATOM 597 N N . GLY A 1 40 ? -24.951 2.45 -21.327 1.0 41.31 ? 40 A 6 +ATOM 598 C CA . GLY A 1 40 ? -25.449 1.654 -22.433 1.0 23.2 ? 40 A 6 +ATOM 599 C C . GLY A 1 40 ? -25.756 2.492 -23.658 1.0 54.31 ? 40 A 6 +ATOM 600 O O . GLY A 1 40 ? -26.808 2.335 -24.278 1.0 62.35 ? 40 A 6 +ATOM 601 H H . GLY A 1 40 ? -24.152 3.005 -21.446 1.0 1.31 ? 40 A 6 +ATOM 602 H HA2 . GLY A 1 40 ? -24.708 0.913 -22.692 1.0 42.33 ? 40 A 6 +ATOM 603 H HA3 . GLY A 1 40 ? -26.353 1.15 -22.121 1.0 42.25 ? 40 A 6 +ATOM 604 N N . ILE A 1 41 ? -24.836 3.384 -24.008 1.0 11.45 ? 41 A 6 +ATOM 605 C CA . ILE A 1 41 ? -25.014 4.25 -25.167 1.0 13.21 ? 41 A 6 +ATOM 606 C C . ILE A 1 41 ? -23.796 4.199 -26.084 1.0 73.14 ? 41 A 6 +ATOM 607 O O . ILE A 1 41 ? -22.696 3.828 -25.675 1.0 54.03 ? 41 A 6 +ATOM 608 C CB . ILE A 1 41 ? -25.263 5.711 -24.745 1.0 13.54 ? 41 A 6 +ATOM 609 C CG1 . ILE A 1 41 ? -24.421 6.061 -23.517 1.0 35.25 ? 41 A 6 +ATOM 610 C CG2 . ILE A 1 41 ? -26.741 5.935 -24.462 1.0 15.54 ? 41 A 6 +ATOM 611 C CD1 . ILE A 1 41 ? -24.551 7.506 -23.087 1.0 51.21 ? 41 A 6 +ATOM 612 H H . ILE A 1 41 ? -24.018 3.462 -23.474 1.0 10.31 ? 41 A 6 +ATOM 613 H HA . ILE A 1 41 ? -25.878 3.902 -25.713 1.0 22.4 ? 41 A 6 +ATOM 614 H HB . ILE A 1 41 ? -24.977 6.352 -25.564 1.0 2.22 ? 41 A 6 +ATOM 615 H HG12 . ILE A 1 41 ? -24.727 5.441 -22.689 1.0 53.25 ? 41 A 6 +ATOM 616 H HG13 . ILE A 1 41 ? -23.38 5.872 -23.738 1.0 73.21 ? 41 A 6 +ATOM 617 H HG21 . ILE A 1 41 ? -26.928 5.811 -23.406 1.0 41.34 ? 41 A 6 +ATOM 618 H HG22 . ILE A 1 41 ? -27.017 6.935 -24.76 1.0 35.01 ? 41 A 6 +ATOM 619 H HG23 . ILE A 1 41 ? -27.327 5.219 -25.018 1.0 24.24 ? 41 A 6 +ATOM 620 H HD11 . ILE A 1 41 ? -25.383 7.961 -23.604 1.0 13.35 ? 41 A 6 +ATOM 621 H HD12 . ILE A 1 41 ? -24.722 7.551 -22.022 1.0 5.02 ? 41 A 6 +ATOM 622 H HD13 . ILE A 1 41 ? -23.643 8.037 -23.33 1.0 73.01 ? 41 A 6 +ATOM 623 N N . PRO A 1 42 ? -23.996 4.581 -27.354 1.0 42.01 ? 42 A 6 +ATOM 624 C CA . PRO A 1 42 ? -22.925 4.59 -28.355 1.0 63.34 ? 42 A 6 +ATOM 625 C C . PRO A 1 42 ? -21.89 5.676 -28.088 1.0 4.23 ? 42 A 6 +ATOM 626 O O . PRO A 1 42 ? -22.198 6.868 -28.059 1.0 21.54 ? 42 A 6 +ATOM 627 C CB . PRO A 1 42 ? -23.667 4.868 -29.665 1.0 63.45 ? 42 A 6 +ATOM 628 C CG . PRO A 1 42 ? -24.902 5.593 -29.254 1.0 31.23 ? 42 A 6 +ATOM 629 C CD . PRO A 1 42 ? -25.282 5.035 -27.91 1.0 52.22 ? 42 A 6 +ATOM 630 H HA . PRO A 1 42 ? -22.432 3.631 -28.416 1.0 60.32 ? 42 A 6 +ATOM 631 H HB2 . PRO A 1 42 ? -23.048 5.476 -30.31 1.0 50.23 ? 42 A 6 +ATOM 632 H HB3 . PRO A 1 42 ? -23.901 3.936 -30.156 1.0 64.01 ? 42 A 6 +ATOM 633 H HG2 . PRO A 1 42 ? -24.7 6.65 -29.177 1.0 0.11 ? 42 A 6 +ATOM 634 H HG3 . PRO A 1 42 ? -25.69 5.411 -29.97 1.0 1.1 ? 42 A 6 +ATOM 635 H HD2 . PRO A 1 42 ? -25.719 5.805 -27.292 1.0 11.32 ? 42 A 6 +ATOM 636 H HD3 . PRO A 1 42 ? -25.965 4.207 -28.024 1.0 34.03 ? 42 A 6 +ATOM 637 N N . PRO A 1 43 ? -20.631 5.259 -27.887 1.0 1.41 ? 43 A 6 +ATOM 638 C CA . PRO A 1 43 ? -19.524 6.182 -27.619 1.0 62.53 ? 43 A 6 +ATOM 639 C C . PRO A 1 43 ? -19.157 7.017 -28.841 1.0 21.35 ? 43 A 6 +ATOM 640 O O . PRO A 1 43 ? -18.964 8.229 -28.742 1.0 73.42 ? 43 A 6 +ATOM 641 C CB . PRO A 1 43 ? -18.37 5.251 -27.24 1.0 74.43 ? 43 A 6 +ATOM 642 C CG . PRO A 1 43 ? -18.691 3.958 -27.907 1.0 42.11 ? 43 A 6 +ATOM 643 C CD . PRO A 1 43 ? -20.191 3.854 -27.906 1.0 32.53 ? 43 A 6 +ATOM 644 H HA . PRO A 1 43 ? -19.747 6.838 -26.79 1.0 3.1 ? 43 A 6 +ATOM 645 H HB2 . PRO A 1 43 ? -17.438 5.663 -27.602 1.0 1.2 ? 43 A 6 +ATOM 646 H HB3 . PRO A 1 43 ? -18.328 5.142 -26.167 1.0 52.2 ? 43 A 6 +ATOM 647 H HG2 . PRO A 1 43 ? -18.316 3.964 -28.919 1.0 21.5 ? 43 A 6 +ATOM 648 H HG3 . PRO A 1 43 ? -18.259 3.141 -27.349 1.0 41.32 ? 43 A 6 +ATOM 649 H HD2 . PRO A 1 43 ? -20.535 3.355 -28.8 1.0 55.24 ? 43 A 6 +ATOM 650 H HD3 . PRO A 1 43 ? -20.533 3.332 -27.025 1.0 31.14 ? 43 A 6 +ATOM 651 N N . ASP A 1 44 ? -19.061 6.361 -29.992 1.0 54.12 ? 44 A 6 +ATOM 652 C CA . ASP A 1 44 ? -18.718 7.043 -31.235 1.0 51.34 ? 44 A 6 +ATOM 653 C C . ASP A 1 44 ? -19.763 8.099 -31.581 1.0 65.34 ? 44 A 6 +ATOM 654 O O . ASP A 1 44 ? -19.509 8.995 -32.387 1.0 41.23 ? 44 A 6 +ATOM 655 C CB . ASP A 1 44 ? -18.596 6.035 -32.378 1.0 23.35 ? 44 A 6 +ATOM 656 C CG . ASP A 1 44 ? -17.721 6.542 -33.507 1.0 52.14 ? 44 A 6 +ATOM 657 O OD1 . ASP A 1 44 ? -16.86 7.408 -33.246 1.0 70.43 ? 44 A 6 +ATOM 658 O OD2 . ASP A 1 44 ? -17.897 6.075 -34.652 1.0 15.14 ? 44 A 6 +ATOM 659 H H . ASP A 1 44 ? -19.227 5.395 -30.007 1.0 64.31 ? 44 A 6 +ATOM 660 H HA . ASP A 1 44 ? -17.765 7.53 -31.093 1.0 72.42 ? 44 A 6 +ATOM 661 H HB2 . ASP A 1 44 ? -18.166 5.119 -31.998 1.0 64.21 ? 44 A 6 +ATOM 662 H HB3 . ASP A 1 44 ? -19.58 5.828 -32.774 1.0 74.33 ? 44 A 6 +ATOM 663 N N . GLN A 1 45 ? -20.936 7.987 -30.967 1.0 24.51 ? 45 A 6 +ATOM 664 C CA . GLN A 1 45 ? -22.019 8.932 -31.213 1.0 55.1 ? 45 A 6 +ATOM 665 C C . GLN A 1 45 ? -21.949 10.105 -30.24 1.0 65.33 ? 45 A 6 +ATOM 666 O O . GLN A 1 45 ? -22.631 11.114 -30.421 1.0 0.12 ? 45 A 6 +ATOM 667 C CB . GLN A 1 45 ? -23.374 8.232 -31.089 1.0 3.33 ? 45 A 6 +ATOM 668 C CG . GLN A 1 45 ? -23.844 7.585 -32.381 1.0 71.05 ? 45 A 6 +ATOM 669 C CD . GLN A 1 45 ? -25.009 6.638 -32.17 1.0 50.21 ? 45 A 6 +ATOM 670 O OE1 . GLN A 1 45 ? -26.056 7.029 -31.652 1.0 30.33 ? 45 A 6 +ATOM 671 N NE2 . GLN A 1 45 ? -24.834 5.384 -32.569 1.0 54.11 ? 45 A 6 +ATOM 672 H H . GLN A 1 45 ? -21.077 7.252 -30.336 1.0 33.14 ? 45 A 6 +ATOM 673 H HA . GLN A 1 45 ? -21.91 9.308 -32.219 1.0 54.13 ? 45 A 6 +ATOM 674 H HB2 . GLN A 1 45 ? -23.301 7.465 -30.333 1.0 72.22 ? 45 A 6 +ATOM 675 H HB3 . GLN A 1 45 ? -24.114 8.957 -30.785 1.0 51.24 ? 45 A 6 +ATOM 676 H HG2 . GLN A 1 45 ? -24.151 8.361 -33.067 1.0 11.31 ? 45 A 6 +ATOM 677 H HG3 . GLN A 1 45 ? -23.023 7.031 -32.811 1.0 33.23 ? 45 A 6 +ATOM 678 H HE21 . GLN A 1 45 ? -23.973 5.143 -32.972 1.0 35.4 ? 45 A 6 +ATOM 679 H HE22 . GLN A 1 45 ? -25.57 4.751 -32.444 1.0 53.4 ? 45 A 6 +ATOM 680 N N . GLN A 1 46 ? -21.122 9.964 -29.21 1.0 5.34 ? 46 A 6 +ATOM 681 C CA . GLN A 1 46 ? -20.965 11.012 -28.208 1.0 54.21 ? 46 A 6 +ATOM 682 C C . GLN A 1 46 ? -19.537 11.548 -28.2 1.0 23.33 ? 46 A 6 +ATOM 683 O O . GLN A 1 46 ? -18.598 10.846 -28.579 1.0 42.0 ? 46 A 6 +ATOM 684 C CB . GLN A 1 46 ? -21.33 10.481 -26.821 1.0 54.1 ? 46 A 6 +ATOM 685 C CG . GLN A 1 46 ? -20.554 9.236 -26.423 1.0 63.33 ? 46 A 6 +ATOM 686 C CD . GLN A 1 46 ? -20.509 9.032 -24.921 1.0 73.34 ? 46 A 6 +ATOM 687 O OE1 . GLN A 1 46 ? -21.546 8.981 -24.259 1.0 62.34 ? 46 A 6 +ATOM 688 N NE2 . GLN A 1 46 ? -19.304 8.915 -24.375 1.0 52.51 ? 46 A 6 +ATOM 689 H H . GLN A 1 46 ? -20.606 9.136 -29.12 1.0 61.13 ? 46 A 6 +ATOM 690 H HA . GLN A 1 46 ? -21.636 11.818 -28.463 1.0 1.54 ? 46 A 6 +ATOM 691 H HB2 . GLN A 1 46 ? -21.134 11.251 -26.09 1.0 70.34 ? 46 A 6 +ATOM 692 H HB3 . GLN A 1 46 ? -22.383 10.241 -26.807 1.0 24.41 ? 46 A 6 +ATOM 693 H HG2 . GLN A 1 46 ? -21.023 8.374 -26.873 1.0 71.34 ? 46 A 6 +ATOM 694 H HG3 . GLN A 1 46 ? -19.542 9.326 -26.789 1.0 12.44 ? 46 A 6 +ATOM 695 H HE21 . GLN A 1 46 ? -18.522 8.967 -24.964 1.0 61.21 ? 46 A 6 +ATOM 696 H HE22 . GLN A 1 46 ? -19.246 8.783 -23.406 1.0 54.41 ? 46 A 6 +ATOM 697 N N . ARG A 1 47 ? -19.38 12.794 -27.768 1.0 11.31 ? 47 A 6 +ATOM 698 C CA . ARG A 1 47 ? -18.066 13.424 -27.712 1.0 74.42 ? 47 A 6 +ATOM 699 C C . ARG A 1 47 ? -17.878 14.174 -26.397 1.0 0.05 ? 47 A 6 +ATOM 700 O O . ARG A 1 47 ? -18.842 14.439 -25.677 1.0 62.43 ? 47 A 6 +ATOM 701 C CB . ARG A 1 47 ? -17.888 14.385 -28.889 1.0 53.24 ? 47 A 6 +ATOM 702 C CG . ARG A 1 47 ? -18.192 13.757 -30.24 1.0 25.13 ? 47 A 6 +ATOM 703 C CD . ARG A 1 47 ? -18.32 14.811 -31.328 1.0 74.31 ? 47 A 6 +ATOM 704 N NE . ARG A 1 47 ? -19.698 15.266 -31.491 1.0 72.02 ? 47 A 6 +ATOM 705 C CZ . ARG A 1 47 ? -20.045 16.308 -32.239 1.0 4.33 ? 47 A 6 +ATOM 706 N NH1 . ARG A 1 47 ? -19.119 16.998 -32.889 1.0 22.33 ? 47 A 6 +ATOM 707 N NH2 . ARG A 1 47 ? -21.32 16.66 -32.337 1.0 24.44 ? 47 A 6 +ATOM 708 H H . ARG A 1 47 ? -20.166 13.303 -27.48 1.0 14.32 ? 47 A 6 +ATOM 709 H HA . ARG A 1 47 ? -17.321 12.645 -27.779 1.0 52.1 ? 47 A 6 +ATOM 710 H HB2 . ARG A 1 47 ? -18.547 15.229 -28.753 1.0 12.43 ? 47 A 6 +ATOM 711 H HB3 . ARG A 1 47 ? -16.866 14.735 -28.901 1.0 31.22 ? 47 A 6 +ATOM 712 H HG2 . ARG A 1 47 ? -17.391 13.082 -30.501 1.0 2.15 ? 47 A 6 +ATOM 713 H HG3 . ARG A 1 47 ? -19.119 13.209 -30.17 1.0 3.22 ? 47 A 6 +ATOM 714 H HD2 . ARG A 1 47 ? -17.701 15.657 -31.067 1.0 62.34 ? 47 A 6 +ATOM 715 H HD3 . ARG A 1 47 ? -17.977 14.389 -32.261 1.0 4.32 ? 47 A 6 +ATOM 716 H HE . ARG A 1 47 ? -20.398 14.77 -31.019 1.0 51.12 ? 47 A 6 +ATOM 717 H HH11 . ARG A 1 47 ? -18.157 16.735 -32.818 1.0 35.02 ? 47 A 6 +ATOM 718 H HH12 . ARG A 1 47 ? -19.383 17.782 -33.453 1.0 42.25 ? 47 A 6 +ATOM 719 H HH21 . ARG A 1 47 ? -22.021 16.141 -31.848 1.0 32.54 ? 47 A 6 +ATOM 720 H HH22 . ARG A 1 47 ? -21.58 17.444 -32.9 1.0 51.04 ? 47 A 6 +ATOM 721 N N . LEU A 1 48 ? -16.631 14.513 -26.088 1.0 13.42 ? 48 A 6 +ATOM 722 C CA . LEU A 1 48 ? -16.315 15.232 -24.859 1.0 63.04 ? 48 A 6 +ATOM 723 C C . LEU A 1 48 ? -16.037 16.704 -25.145 1.0 70.54 ? 48 A 6 +ATOM 724 O O . LEU A 1 48 ? -15.493 17.05 -26.195 1.0 13.22 ? 48 A 6 +ATOM 725 C CB . LEU A 1 48 ? -15.106 14.597 -24.17 1.0 73.22 ? 48 A 6 +ATOM 726 C CG . LEU A 1 48 ? -14.989 13.077 -24.285 1.0 23.01 ? 48 A 6 +ATOM 727 C CD1 . LEU A 1 48 ? -16.355 12.424 -24.139 1.0 2.23 ? 48 A 6 +ATOM 728 C CD2 . LEU A 1 48 ? -14.35 12.69 -25.61 1.0 62.5 ? 48 A 6 +ATOM 729 H H . LEU A 1 48 ? -15.905 14.274 -26.701 1.0 13.1 ? 48 A 6 +ATOM 730 H HA . LEU A 1 48 ? -17.171 15.16 -24.204 1.0 5.14 ? 48 A 6 +ATOM 731 H HB2 . LEU A 1 48 ? -14.216 15.03 -24.599 1.0 14.35 ? 48 A 6 +ATOM 732 H HB3 . LEU A 1 48 ? -15.156 14.848 -23.12 1.0 62.22 ? 48 A 6 +ATOM 733 H HG . LEU A 1 48 ? -14.358 12.709 -23.488 1.0 74.12 ? 48 A 6 +ATOM 734 H HD11 . LEU A 1 48 ? -16.781 12.259 -25.117 1.0 72.12 ? 48 A 6 +ATOM 735 H HD12 . LEU A 1 48 ? -17.005 13.071 -23.569 1.0 51.52 ? 48 A 6 +ATOM 736 H HD13 . LEU A 1 48 ? -16.25 11.479 -23.627 1.0 50.13 ? 48 A 6 +ATOM 737 H HD21 . LEU A 1 48 ? -13.721 13.497 -25.956 1.0 32.51 ? 48 A 6 +ATOM 738 H HD22 . LEU A 1 48 ? -15.123 12.497 -26.34 1.0 4.35 ? 48 A 6 +ATOM 739 H HD23 . LEU A 1 48 ? -13.753 11.799 -25.475 1.0 44.23 ? 48 A 6 +ATOM 740 N N . ILE A 1 49 ? -16.411 17.565 -24.205 1.0 13.31 ? 49 A 6 +ATOM 741 C CA . ILE A 1 49 ? -16.198 18.999 -24.356 1.0 13.25 ? 49 A 6 +ATOM 742 C C . ILE A 1 49 ? -15.745 19.628 -23.043 1.0 73.24 ? 49 A 6 +ATOM 743 O O . ILE A 1 49 ? -16.413 19.5 -22.017 1.0 20.41 ? 49 A 6 +ATOM 744 C CB . ILE A 1 49 ? -17.476 19.71 -24.838 1.0 42.12 ? 49 A 6 +ATOM 745 C CG1 . ILE A 1 49 ? -17.522 19.742 -26.367 1.0 21.4 ? 49 A 6 +ATOM 746 C CG2 . ILE A 1 49 ? -17.544 21.121 -24.271 1.0 44.11 ? 49 A 6 +ATOM 747 C CD1 . ILE A 1 49 ? -18.837 19.263 -26.942 1.0 30.32 ? 49 A 6 +ATOM 748 H H . ILE A 1 49 ? -16.839 17.228 -23.391 1.0 11.12 ? 49 A 6 +ATOM 749 H HA . ILE A 1 49 ? -15.427 19.146 -25.098 1.0 31.54 ? 49 A 6 +ATOM 750 H HB . ILE A 1 49 ? -18.329 19.16 -24.471 1.0 10.22 ? 49 A 6 +ATOM 751 H HG12 . ILE A 1 49 ? -17.362 20.754 -26.705 1.0 52.53 ? 49 A 6 +ATOM 752 H HG13 . ILE A 1 49 ? -16.738 19.108 -26.756 1.0 23.14 ? 49 A 6 +ATOM 753 H HG21 . ILE A 1 49 ? -17.833 21.077 -23.232 1.0 54.41 ? 49 A 6 +ATOM 754 H HG22 . ILE A 1 49 ? -16.574 21.588 -24.355 1.0 2.4 ? 49 A 6 +ATOM 755 H HG23 . ILE A 1 49 ? -18.271 21.697 -24.824 1.0 53.42 ? 49 A 6 +ATOM 756 H HD11 . ILE A 1 49 ? -19.449 18.855 -26.15 1.0 43.14 ? 49 A 6 +ATOM 757 H HD12 . ILE A 1 49 ? -19.352 20.093 -27.403 1.0 61.33 ? 49 A 6 +ATOM 758 H HD13 . ILE A 1 49 ? -18.65 18.499 -27.681 1.0 3.14 ? 49 A 6 +ATOM 759 N N . PHE A 1 50 ? -14.605 20.311 -23.082 1.0 0.44 ? 50 A 6 +ATOM 760 C CA . PHE A 1 50 ? -14.062 20.962 -21.896 1.0 63.4 ? 50 A 6 +ATOM 761 C C . PHE A 1 50 ? -13.76 22.431 -22.172 1.0 34.31 ? 50 A 6 +ATOM 762 O O . PHE A 1 50 ? -13.02 22.761 -23.098 1.0 24.03 ? 50 A 6 +ATOM 763 C CB . PHE A 1 50 ? -12.792 20.246 -21.432 1.0 1.31 ? 50 A 6 +ATOM 764 C CG . PHE A 1 50 ? -12.409 20.562 -20.014 1.0 63.44 ? 50 A 6 +ATOM 765 C CD1 . PHE A 1 50 ? -11.849 21.787 -19.691 1.0 63.22 ? 50 A 6 +ATOM 766 C CD2 . PHE A 1 50 ? -12.611 19.634 -19.006 1.0 31.12 ? 50 A 6 +ATOM 767 C CE1 . PHE A 1 50 ? -11.495 22.079 -18.387 1.0 44.05 ? 50 A 6 +ATOM 768 C CE2 . PHE A 1 50 ? -12.259 19.921 -17.7 1.0 53.14 ? 50 A 6 +ATOM 769 C CZ . PHE A 1 50 ? -11.702 21.146 -17.39 1.0 64.24 ? 50 A 6 +ATOM 770 H H . PHE A 1 50 ? -14.118 20.378 -23.93 1.0 32.43 ? 50 A 6 +ATOM 771 H HA . PHE A 1 50 ? -14.805 20.9 -21.116 1.0 55.42 ? 50 A 6 +ATOM 772 H HB2 . PHE A 1 50 ? -12.941 19.179 -21.505 1.0 72.21 ? 50 A 6 +ATOM 773 H HB3 . PHE A 1 50 ? -11.971 20.535 -22.071 1.0 52.42 ? 50 A 6 +ATOM 774 H HD1 . PHE A 1 50 ? -11.687 22.518 -20.469 1.0 64.41 ? 50 A 6 +ATOM 775 H HD2 . PHE A 1 50 ? -13.047 18.675 -19.247 1.0 25.0 ? 50 A 6 +ATOM 776 H HE1 . PHE A 1 50 ? -11.06 23.038 -18.147 1.0 33.34 ? 50 A 6 +ATOM 777 H HE2 . PHE A 1 50 ? -12.423 19.188 -16.923 1.0 34.14 ? 50 A 6 +ATOM 778 H HZ . PHE A 1 50 ? -11.426 21.372 -16.371 1.0 42.2 ? 50 A 6 +ATOM 779 N N . GLY A 1 51 ? -14.338 23.311 -21.36 1.0 53.44 ? 51 A 6 +ATOM 780 C CA . GLY A 1 51 ? -14.12 24.736 -21.533 1.0 33.5 ? 51 A 6 +ATOM 781 C C . GLY A 1 51 ? -14.716 25.261 -22.824 1.0 34.32 ? 51 A 6 +ATOM 782 O O . GLY A 1 51 ? -14.472 26.404 -23.209 1.0 0.02 ? 51 A 6 +ATOM 783 H H . GLY A 1 51 ? -14.918 22.991 -20.638 1.0 14.34 ? 51 A 6 +ATOM 784 H HA2 . GLY A 1 51 ? -14.566 25.261 -20.702 1.0 71.3 ? 51 A 6 +ATOM 785 H HA3 . GLY A 1 51 ? -13.057 24.927 -21.538 1.0 2.33 ? 51 A 6 +ATOM 786 N N . GLY A 1 52 ? -15.5 24.424 -23.496 1.0 51.33 ? 52 A 6 +ATOM 787 C CA . GLY A 1 52 ? -16.119 24.828 -24.745 1.0 70.11 ? 52 A 6 +ATOM 788 C C . GLY A 1 52 ? -15.563 24.076 -25.938 1.0 64.35 ? 52 A 6 +ATOM 789 O O . GLY A 1 52 ? -16.265 23.856 -26.925 1.0 21.12 ? 52 A 6 +ATOM 790 H H . GLY A 1 52 ? -15.66 23.524 -23.141 1.0 52.33 ? 52 A 6 +ATOM 791 H HA2 . GLY A 1 52 ? -17.182 24.647 -24.682 1.0 34.31 ? 52 A 6 +ATOM 792 H HA3 . GLY A 1 52 ? -15.952 25.885 -24.891 1.0 33.12 ? 52 A 6 +ATOM 793 N N . LYS A 1 53 ? -14.298 23.681 -25.848 1.0 4.12 ? 53 A 6 +ATOM 794 C CA . LYS A 1 53 ? -13.646 22.949 -26.928 1.0 20.15 ? 53 A 6 +ATOM 795 C C . LYS A 1 53 ? -13.742 21.444 -26.701 1.0 12.34 ? 53 A 6 +ATOM 796 O O . LYS A 1 53 ? -13.732 20.978 -25.563 1.0 53.3 ? 53 A 6 +ATOM 797 C CB . LYS A 1 53 ? -12.178 23.366 -27.041 1.0 12.13 ? 53 A 6 +ATOM 798 C CG . LYS A 1 53 ? -11.412 23.252 -25.734 1.0 34.42 ? 53 A 6 +ATOM 799 C CD . LYS A 1 53 ? -10.759 21.888 -25.587 1.0 44.0 ? 53 A 6 +ATOM 800 C CE . LYS A 1 53 ? -9.688 21.666 -26.643 1.0 75.53 ? 53 A 6 +ATOM 801 N NZ . LYS A 1 53 ? -8.476 21.012 -26.076 1.0 61.53 ? 53 A 6 +ATOM 802 H H . LYS A 1 53 ? -13.79 23.885 -25.035 1.0 32.12 ? 53 A 6 +ATOM 803 H HA . LYS A 1 53 ? -14.153 23.196 -27.849 1.0 74.23 ? 53 A 6 +ATOM 804 H HB2 . LYS A 1 53 ? -11.693 22.738 -27.774 1.0 34.02 ? 53 A 6 +ATOM 805 H HB3 . LYS A 1 53 ? -12.132 24.393 -27.372 1.0 32.22 ? 53 A 6 +ATOM 806 H HG2 . LYS A 1 53 ? -10.643 24.011 -25.71 1.0 24.24 ? 53 A 6 +ATOM 807 H HG3 . LYS A 1 53 ? -12.096 23.405 -24.912 1.0 53.0 ? 53 A 6 +ATOM 808 H HD2 . LYS A 1 53 ? -10.305 21.819 -24.61 1.0 22.42 ? 53 A 6 +ATOM 809 H HD3 . LYS A 1 53 ? -11.517 21.124 -25.688 1.0 0.05 ? 53 A 6 +ATOM 810 H HE2 . LYS A 1 53 ? -10.093 21.038 -27.422 1.0 25.2 ? 53 A 6 +ATOM 811 H HE3 . LYS A 1 53 ? -9.409 22.622 -27.061 1.0 75.24 ? 53 A 6 +ATOM 812 H HZ1 . LYS A 1 53 ? -7.837 21.729 -25.677 1.0 1.33 ? 53 A 6 +ATOM 813 H HZ2 . LYS A 1 53 ? -7.972 20.488 -26.819 1.0 14.14 ? 53 A 6 +ATOM 814 H HZ3 . LYS A 1 53 ? -8.748 20.348 -25.323 1.0 31.25 ? 53 A 6 +ATOM 815 N N . GLN A 1 54 ? -13.834 20.69 -27.792 1.0 32.1 ? 54 A 6 +ATOM 816 C CA . GLN A 1 54 ? -13.932 19.238 -27.711 1.0 3.14 ? 54 A 6 +ATOM 817 C C . GLN A 1 54 ? -12.615 18.63 -27.24 1.0 14.5 ? 54 A 6 +ATOM 818 O O . GLN A 1 54 ? -11.603 19.323 -27.13 1.0 22.04 ? 54 A 6 +ATOM 819 C CB . GLN A 1 54 ? -14.319 18.654 -29.071 1.0 14.03 ? 54 A 6 +ATOM 820 C CG . GLN A 1 54 ? -15.71 18.043 -29.097 1.0 52.41 ? 54 A 6 +ATOM 821 C CD . GLN A 1 54 ? -16.155 17.662 -30.495 1.0 44.23 ? 54 A 6 +ATOM 822 O OE1 . GLN A 1 54 ? -17.159 18.165 -30.999 1.0 25.33 ? 54 A 6 +ATOM 823 N NE2 . GLN A 1 54 ? -15.406 16.768 -31.131 1.0 63.1 ? 54 A 6 +ATOM 824 H H . GLN A 1 54 ? -13.838 21.121 -28.672 1.0 52.11 ? 54 A 6 +ATOM 825 H HA . GLN A 1 54 ? -14.702 18.997 -26.994 1.0 62.04 ? 54 A 6 +ATOM 826 H HB2 . GLN A 1 54 ? -14.28 19.44 -29.811 1.0 31.24 ? 54 A 6 +ATOM 827 H HB3 . GLN A 1 54 ? -13.607 17.886 -29.336 1.0 25.42 ? 54 A 6 +ATOM 828 H HG2 . GLN A 1 54 ? -15.711 17.155 -28.481 1.0 52.11 ? 54 A 6 +ATOM 829 H HG3 . GLN A 1 54 ? -16.411 18.759 -28.694 1.0 53.52 ? 54 A 6 +ATOM 830 H HE21 . GLN A 1 54 ? -14.621 16.408 -30.667 1.0 45.55 ? 54 A 6 +ATOM 831 H HE22 . GLN A 1 54 ? -15.671 16.503 -32.036 1.0 62.42 ? 54 A 6 +ATOM 832 N N . LEU A 1 55 ? -12.635 17.331 -26.962 1.0 51.34 ? 55 A 6 +ATOM 833 C CA . LEU A 1 55 ? -11.442 16.629 -26.502 1.0 40.45 ? 55 A 6 +ATOM 834 C C . LEU A 1 55 ? -11.109 15.459 -27.423 1.0 63.5 ? 55 A 6 +ATOM 835 O O . LEU A 1 55 ? -11.963 14.621 -27.71 1.0 52.11 ? 55 A 6 +ATOM 836 C CB . LEU A 1 55 ? -11.642 16.125 -25.071 1.0 25.03 ? 55 A 6 +ATOM 837 C CG . LEU A 1 55 ? -12.2 17.141 -24.074 1.0 41.33 ? 55 A 6 +ATOM 838 C CD1 . LEU A 1 55 ? -12.22 16.557 -22.671 1.0 33.24 ? 55 A 6 +ATOM 839 C CD2 . LEU A 1 55 ? -11.384 18.425 -24.108 1.0 52.23 ? 55 A 6 +ATOM 840 H H . LEU A 1 55 ? -13.47 16.831 -27.068 1.0 12.34 ? 55 A 6 +ATOM 841 H HA . LEU A 1 55 ? -10.619 17.328 -26.517 1.0 22.21 ? 55 A 6 +ATOM 842 H HB2 . LEU A 1 55 ? -12.323 15.289 -25.107 1.0 55.1 ? 55 A 6 +ATOM 843 H HB3 . LEU A 1 55 ? -10.683 15.791 -24.702 1.0 51.11 ? 55 A 6 +ATOM 844 H HG . LEU A 1 55 ? -13.218 17.384 -24.349 1.0 72.12 ? 55 A 6 +ATOM 845 H HD11 . LEU A 1 55 ? -13.19 16.127 -22.474 1.0 32.04 ? 55 A 6 +ATOM 846 H HD12 . LEU A 1 55 ? -12.02 17.338 -21.952 1.0 44.35 ? 55 A 6 +ATOM 847 H HD13 . LEU A 1 55 ? -11.463 15.791 -22.589 1.0 32.21 ? 55 A 6 +ATOM 848 H HD21 . LEU A 1 55 ? -11.879 19.15 -24.736 1.0 33.14 ? 55 A 6 +ATOM 849 H HD22 . LEU A 1 55 ? -10.401 18.216 -24.504 1.0 72.01 ? 55 A 6 +ATOM 850 H HD23 . LEU A 1 55 ? -11.292 18.819 -23.106 1.0 74.33 ? 55 A 6 +ATOM 851 N N . GLU A 1 56 ? -9.862 15.408 -27.88 1.0 12.02 ? 56 A 6 +ATOM 852 C CA . GLU A 1 56 ? -9.417 14.34 -28.767 1.0 31.33 ? 56 A 6 +ATOM 853 C C . GLU A 1 56 ? -9.426 12.995 -28.047 1.0 62.51 ? 56 A 6 +ATOM 854 O O . GLU A 1 56 ? -9.791 12.91 -26.874 1.0 51.02 ? 56 A 6 +ATOM 855 C CB . GLU A 1 56 ? -8.013 14.638 -29.297 1.0 62.01 ? 56 A 6 +ATOM 856 C CG . GLU A 1 56 ? -7.832 14.301 -30.767 1.0 21.02 ? 56 A 6 +ATOM 857 C CD . GLU A 1 56 ? -7.948 15.519 -31.663 1.0 1.0 ? 56 A 6 +ATOM 858 O OE1 . GLU A 1 56 ? -8.495 16.544 -31.205 1.0 61.34 ? 56 A 6 +ATOM 859 O OE2 . GLU A 1 56 ? -7.492 15.446 -32.824 1.0 22.01 ? 56 A 6 +ATOM 860 H H . GLU A 1 56 ? -9.227 16.106 -27.616 1.0 72.43 ? 56 A 6 +ATOM 861 H HA . GLU A 1 56 ? -10.103 14.293 -29.6 1.0 4.21 ? 56 A 6 +ATOM 862 H HB2 . GLU A 1 56 ? -7.805 15.689 -29.161 1.0 41.11 ? 56 A 6 +ATOM 863 H HB3 . GLU A 1 56 ? -7.298 14.063 -28.727 1.0 51.02 ? 56 A 6 +ATOM 864 H HG2 . GLU A 1 56 ? -6.855 13.863 -30.906 1.0 71.31 ? 56 A 6 +ATOM 865 H HG3 . GLU A 1 56 ? -8.59 13.587 -31.055 1.0 60.44 ? 56 A 6 +ATOM 866 N N . ASP A 1 57 ? -9.023 11.947 -28.757 1.0 71.03 ? 57 A 6 +ATOM 867 C CA . ASP A 1 57 ? -8.984 10.606 -28.186 1.0 63.41 ? 57 A 6 +ATOM 868 C C . ASP A 1 57 ? -7.845 10.477 -27.179 1.0 21.4 ? 57 A 6 +ATOM 869 O O . ASP A 1 57 ? -7.837 9.568 -26.349 1.0 43.31 ? 57 A 6 +ATOM 870 C CB . ASP A 1 57 ? -8.823 9.562 -29.292 1.0 45.31 ? 57 A 6 +ATOM 871 C CG . ASP A 1 57 ? -9.736 9.826 -30.474 1.0 55.43 ? 57 A 6 +ATOM 872 O OD1 . ASP A 1 57 ? -10.811 10.428 -30.27 1.0 72.35 ? 57 A 6 +ATOM 873 O OD2 . ASP A 1 57 ? -9.376 9.429 -31.602 1.0 15.11 ? 57 A 6 +ATOM 874 H H . ASP A 1 57 ? -8.744 12.079 -29.687 1.0 23.12 ? 57 A 6 +ATOM 875 H HA . ASP A 1 57 ? -9.92 10.435 -27.675 1.0 62.14 ? 57 A 6 +ATOM 876 H HB2 . ASP A 1 57 ? -7.801 9.572 -29.642 1.0 24.44 ? 57 A 6 +ATOM 877 H HB3 . ASP A 1 57 ? -9.054 8.586 -28.893 1.0 64.03 ? 57 A 6 +ATOM 878 N N . SER A 1 58 ? -6.884 11.392 -27.26 1.0 32.51 ? 58 A 6 +ATOM 879 C CA . SER A 1 58 ? -5.738 11.378 -26.359 1.0 62.24 ? 58 A 6 +ATOM 880 C C . SER A 1 58 ? -5.803 12.544 -25.377 1.0 2.12 ? 58 A 6 +ATOM 881 O O . SER A 1 58 ? -4.889 12.751 -24.581 1.0 12.21 ? 58 A 6 +ATOM 882 C CB . SER A 1 58 ? -4.434 11.441 -27.157 1.0 65.11 ? 58 A 6 +ATOM 883 O OG . SER A 1 58 ? -3.307 11.365 -26.301 1.0 34.21 ? 58 A 6 +ATOM 884 H H . SER A 1 58 ? -6.947 12.092 -27.943 1.0 21.03 ? 58 A 6 +ATOM 885 H HA . SER A 1 58 ? -5.765 10.453 -25.802 1.0 33.55 ? 58 A 6 +ATOM 886 H HB2 . SER A 1 58 ? -4.4 10.615 -27.851 1.0 31.42 ? 58 A 6 +ATOM 887 H HB3 . SER A 1 58 ? -4.394 12.372 -27.703 1.0 40.4 ? 58 A 6 +ATOM 888 H HG . SER A 1 58 ? -3.471 10.715 -25.613 1.0 10.23 ? 58 A 6 +ATOM 889 N N . ASN A 1 59 ? -6.892 13.303 -25.442 1.0 35.41 ? 59 A 6 +ATOM 890 C CA . ASN A 1 59 ? -7.078 14.45 -24.561 1.0 52.34 ? 59 A 6 +ATOM 891 C C . ASN A 1 59 ? -7.559 14.004 -23.183 1.0 4.01 ? 59 A 6 +ATOM 892 O O . ASN A 1 59 ? -8.757 14.015 -22.899 1.0 42.21 ? 59 A 6 +ATOM 893 C CB . ASN A 1 59 ? -8.081 15.431 -25.171 1.0 21.1 ? 59 A 6 +ATOM 894 C CG . ASN A 1 59 ? -7.411 16.478 -26.039 1.0 14.54 ? 59 A 6 +ATOM 895 O OD1 . ASN A 1 59 ? -6.497 16.172 -26.805 1.0 24.42 ? 59 A 6 +ATOM 896 N ND2 . ASN A 1 59 ? -7.864 17.721 -25.924 1.0 14.44 ? 59 A 6 +ATOM 897 H H . ASN A 1 59 ? -7.587 13.088 -26.099 1.0 5.51 ? 59 A 6 +ATOM 898 H HA . ASN A 1 59 ? -6.124 14.944 -24.454 1.0 74.51 ? 59 A 6 +ATOM 899 H HB2 . ASN A 1 59 ? -8.786 14.884 -25.78 1.0 43.43 ? 59 A 6 +ATOM 900 H HB3 . ASN A 1 59 ? -8.612 15.934 -24.377 1.0 11.21 ? 59 A 6 +ATOM 901 H HD21 . ASN A 1 59 ? -8.595 17.891 -25.293 1.0 21.33 ? 59 A 6 +ATOM 902 H HD22 . ASN A 1 59 ? -7.449 18.417 -26.474 1.0 12.0 ? 59 A 6 +ATOM 903 N N . ALA A 1 60 ? -6.617 13.614 -22.331 1.0 13.11 ? 60 A 6 +ATOM 904 C CA . ALA A 1 60 ? -6.944 13.167 -20.983 1.0 35.51 ? 60 A 6 +ATOM 905 C C . ALA A 1 60 ? -5.68 12.878 -20.179 1.0 74.01 ? 60 A 6 +ATOM 906 O O . ALA A 1 60 ? -5.165 13.75 -19.48 1.0 74.24 ? 60 A 6 +ATOM 907 C CB . ALA A 1 60 ? -7.832 11.933 -21.036 1.0 64.13 ? 60 A 6 +ATOM 908 H H . ALA A 1 60 ? -5.68 13.628 -22.616 1.0 31.12 ? 60 A 6 +ATOM 909 H HA . ALA A 1 60 ? -7.496 13.957 -20.494 1.0 20.01 ? 60 A 6 +ATOM 910 H HB1 . ALA A 1 60 ? -7.398 11.207 -21.708 1.0 72.33 ? 60 A 6 +ATOM 911 H HB2 . ALA A 1 60 ? -7.914 11.506 -20.048 1.0 25.02 ? 60 A 6 +ATOM 912 H HB3 . ALA A 1 60 ? -8.813 12.211 -21.391 1.0 51.02 ? 60 A 6 +ATOM 913 N N . MET A 1 61 ? -5.188 11.648 -20.282 1.0 21.52 ? 61 A 6 +ATOM 914 C CA . MET A 1 61 ? -3.984 11.244 -19.565 1.0 32.03 ? 61 A 6 +ATOM 915 C C . MET A 1 61 ? -2.826 12.188 -19.872 1.0 55.14 ? 61 A 6 +ATOM 916 O O . MET A 1 61 ? -2.168 12.694 -18.963 1.0 73.23 ? 61 A 6 +ATOM 917 C CB . MET A 1 61 ? -3.6 9.81 -19.935 1.0 33.12 ? 61 A 6 +ATOM 918 C CG . MET A 1 61 ? -3.906 9.454 -21.381 1.0 10.31 ? 61 A 6 +ATOM 919 S SD . MET A 1 61 ? -2.628 8.424 -22.128 1.0 3.45 ? 61 A 6 +ATOM 920 C CE . MET A 1 61 ? -1.973 9.542 -23.364 1.0 11.34 ? 61 A 6 +ATOM 921 H H . MET A 1 61 ? -5.643 10.996 -20.855 1.0 44.35 ? 61 A 6 +ATOM 922 H HA . MET A 1 61 ? -4.198 11.288 -18.508 1.0 14.21 ? 61 A 6 +ATOM 923 H HB2 . MET A 1 61 ? -2.541 9.68 -19.771 1.0 14.23 ? 61 A 6 +ATOM 924 H HB3 . MET A 1 61 ? -4.142 9.129 -19.297 1.0 0.24 ? 61 A 6 +ATOM 925 H HG2 . MET A 1 61 ? -4.844 8.919 -21.416 1.0 62.14 ? 61 A 6 +ATOM 926 H HG3 . MET A 1 61 ? -3.993 10.366 -21.951 1.0 32.0 ? 61 A 6 +ATOM 927 H HE1 . MET A 1 61 ? -1.125 10.073 -22.955 1.0 54.23 ? 61 A 6 +ATOM 928 H HE2 . MET A 1 61 ? -1.66 8.977 -24.23 1.0 64.31 ? 61 A 6 +ATOM 929 H HE3 . MET A 1 61 ? -2.737 10.248 -23.652 1.0 24.11 ? 61 A 6 +ATOM 930 N N . SER A 1 62 ? -2.583 12.421 -21.158 1.0 73.15 ? 62 A 6 +ATOM 931 C CA . SER A 1 62 ? -1.501 13.301 -21.584 1.0 12.22 ? 62 A 6 +ATOM 932 C C . SER A 1 62 ? -1.883 14.765 -21.388 1.0 13.52 ? 62 A 6 +ATOM 933 O O . SER A 1 62 ? -1.032 15.606 -21.097 1.0 42.51 ? 62 A 6 +ATOM 934 C CB . SER A 1 62 ? -1.155 13.045 -23.052 1.0 62.33 ? 62 A 6 +ATOM 935 O OG . SER A 1 62 ? -0.508 14.167 -23.627 1.0 14.13 ? 62 A 6 +ATOM 936 H H . SER A 1 62 ? -3.143 11.988 -21.836 1.0 74.25 ? 62 A 6 +ATOM 937 H HA . SER A 1 62 ? -0.636 13.082 -20.976 1.0 74.15 ? 62 A 6 +ATOM 938 H HB2 . SER A 1 62 ? -0.498 12.191 -23.121 1.0 54.41 ? 62 A 6 +ATOM 939 H HB3 . SER A 1 62 ? -2.063 12.846 -23.604 1.0 23.45 ? 62 A 6 +ATOM 940 H HG . SER A 1 62 ? -0.977 14.435 -24.421 1.0 1.23 ? 62 A 6 +ATOM 941 N N . ASP A 1 63 ? -3.167 15.062 -21.55 1.0 34.33 ? 63 A 6 +ATOM 942 C CA . ASP A 1 63 ? -3.664 16.423 -21.39 1.0 10.21 ? 63 A 6 +ATOM 943 C C . ASP A 1 63 ? -3.326 16.966 -20.004 1.0 63.54 ? 63 A 6 +ATOM 944 O O . ASP A 1 63 ? -3.218 18.177 -19.81 1.0 31.33 ? 63 A 6 +ATOM 945 C CB . ASP A 1 63 ? -5.176 16.467 -21.613 1.0 21.1 ? 63 A 6 +ATOM 946 C CG . ASP A 1 63 ? -5.673 17.862 -21.937 1.0 12.2 ? 63 A 6 +ATOM 947 O OD1 . ASP A 1 63 ? -5.635 18.244 -23.125 1.0 53.24 ? 63 A 6 +ATOM 948 O OD2 . ASP A 1 63 ? -6.1 18.573 -21.003 1.0 3.13 ? 63 A 6 +ATOM 949 H H . ASP A 1 63 ? -3.797 14.347 -21.782 1.0 14.4 ? 63 A 6 +ATOM 950 H HA . ASP A 1 63 ? -3.182 17.042 -22.132 1.0 72.42 ? 63 A 6 +ATOM 951 H HB2 . ASP A 1 63 ? -5.431 15.815 -22.435 1.0 63.34 ? 63 A 6 +ATOM 952 H HB3 . ASP A 1 63 ? -5.676 16.125 -20.719 1.0 44.51 ? 63 A 6 +ATOM 953 N N . TYR A 1 64 ? -3.16 16.062 -19.045 1.0 43.15 ? 64 A 6 +ATOM 954 C CA . TYR A 1 64 ? -2.838 16.45 -17.677 1.0 74.44 ? 64 A 6 +ATOM 955 C C . TYR A 1 64 ? -4.059 17.036 -16.975 1.0 35.31 ? 64 A 6 +ATOM 956 O O . TYR A 1 64 ? -3.936 17.722 -15.961 1.0 63.11 ? 64 A 6 +ATOM 957 C CB . TYR A 1 64 ? -1.694 17.465 -17.668 1.0 41.31 ? 64 A 6 +ATOM 958 C CG . TYR A 1 64 ? -0.54 17.069 -16.776 1.0 35.31 ? 64 A 6 +ATOM 959 C CD1 . TYR A 1 64 ? 0.299 16.016 -17.12 1.0 10.21 ? 64 A 6 +ATOM 960 C CD2 . TYR A 1 64 ? -0.288 17.746 -15.59 1.0 61.0 ? 64 A 6 +ATOM 961 C CE1 . TYR A 1 64 ? 1.355 15.649 -16.308 1.0 31.32 ? 64 A 6 +ATOM 962 C CE2 . TYR A 1 64 ? 0.767 17.388 -14.773 1.0 3.01 ? 64 A 6 +ATOM 963 C CZ . TYR A 1 64 ? 1.585 16.339 -15.136 1.0 35.43 ? 64 A 6 +ATOM 964 O OH . TYR A 1 64 ? 2.636 15.978 -14.324 1.0 23.32 ? 64 A 6 +ATOM 965 H H . TYR A 1 64 ? -3.259 15.111 -19.262 1.0 10.22 ? 64 A 6 +ATOM 966 H HA . TYR A 1 64 ? -2.523 15.563 -17.146 1.0 40.51 ? 64 A 6 +ATOM 967 H HB2 . TYR A 1 64 ? -1.314 17.577 -18.672 1.0 75.32 ? 64 A 6 +ATOM 968 H HB3 . TYR A 1 64 ? -2.07 18.417 -17.322 1.0 32.34 ? 64 A 6 +ATOM 969 H HD1 . TYR A 1 64 ? 0.117 15.477 -18.039 1.0 1.35 ? 64 A 6 +ATOM 970 H HD2 . TYR A 1 64 ? -0.931 18.567 -15.308 1.0 32.41 ? 64 A 6 +ATOM 971 H HE1 . TYR A 1 64 ? 1.997 14.828 -16.592 1.0 52.21 ? 64 A 6 +ATOM 972 H HE2 . TYR A 1 64 ? 0.946 17.927 -13.854 1.0 43.14 ? 64 A 6 +ATOM 973 H HH . TYR A 1 64 ? 3.066 16.767 -13.988 1.0 23.33 ? 64 A 6 +ATOM 974 N N . ASN A 1 65 ? -5.238 16.76 -17.523 1.0 61.21 ? 65 A 6 +ATOM 975 C CA . ASN A 1 65 ? -6.483 17.26 -16.951 1.0 70.22 ? 65 A 6 +ATOM 976 C C . ASN A 1 65 ? -7.293 16.123 -16.334 1.0 21.44 ? 65 A 6 +ATOM 977 O O . ASN A 1 65 ? -8.472 16.286 -16.019 1.0 22.24 ? 65 A 6 +ATOM 978 C CB . ASN A 1 65 ? -7.313 17.969 -18.022 1.0 30.31 ? 65 A 6 +ATOM 979 C CG . ASN A 1 65 ? -8.123 17.001 -18.862 1.0 75.23 ? 65 A 6 +ATOM 980 O OD1 . ASN A 1 65 ? -7.601 15.999 -19.352 1.0 74.2 ? 65 A 6 +ATOM 981 N ND2 . ASN A 1 65 ? -9.407 17.295 -19.031 1.0 12.4 ? 65 A 6 +ATOM 982 H H . ASN A 1 65 ? -5.272 16.208 -18.332 1.0 72.01 ? 65 A 6 +ATOM 983 H HA . ASN A 1 65 ? -6.231 17.968 -16.176 1.0 43.44 ? 65 A 6 +ATOM 984 H HB2 . ASN A 1 65 ? -7.994 18.658 -17.544 1.0 12.24 ? 65 A 6 +ATOM 985 H HB3 . ASN A 1 65 ? -6.652 18.519 -18.676 1.0 73.02 ? 65 A 6 +ATOM 986 H HD21 . ASN A 1 65 ? -9.755 18.11 -18.611 1.0 23.44 ? 65 A 6 +ATOM 987 H HD22 . ASN A 1 65 ? -9.954 16.686 -19.569 1.0 32.24 ? 65 A 6 +ATOM 988 N N . VAL A 1 66 ? -6.652 14.971 -16.164 1.0 11.4 ? 66 A 6 +ATOM 989 C CA . VAL A 1 66 ? -7.311 13.807 -15.584 1.0 70.45 ? 66 A 6 +ATOM 990 C C . VAL A 1 66 ? -6.99 13.677 -14.099 1.0 73.11 ? 66 A 6 +ATOM 991 O O . VAL A 1 66 ? -6.071 12.954 -13.715 1.0 33.12 ? 66 A 6 +ATOM 992 C CB . VAL A 1 66 ? -6.896 12.51 -16.304 1.0 40.11 ? 66 A 6 +ATOM 993 C CG1 . VAL A 1 66 ? -5.382 12.418 -16.408 1.0 32.21 ? 66 A 6 +ATOM 994 C CG2 . VAL A 1 66 ? -7.464 11.297 -15.583 1.0 25.13 ? 66 A 6 +ATOM 995 H H . VAL A 1 66 ? -5.712 14.903 -16.435 1.0 25.31 ? 66 A 6 +ATOM 996 H HA . VAL A 1 66 ? -8.377 13.934 -15.702 1.0 44.24 ? 66 A 6 +ATOM 997 H HB . VAL A 1 66 ? -7.303 12.532 -17.304 1.0 65.05 ? 66 A 6 +ATOM 998 H HG11 . VAL A 1 66 ? -5.067 11.406 -16.199 1.0 62.5 ? 66 A 6 +ATOM 999 H HG12 . VAL A 1 66 ? -5.072 12.694 -17.406 1.0 4.5 ? 66 A 6 +ATOM 1000 H HG13 . VAL A 1 66 ? -4.93 13.089 -15.692 1.0 12.32 ? 66 A 6 +ATOM 1001 H HG21 . VAL A 1 66 ? -7.512 10.462 -16.266 1.0 23.4 ? 66 A 6 +ATOM 1002 H HG22 . VAL A 1 66 ? -6.827 11.044 -14.748 1.0 64.2 ? 66 A 6 +ATOM 1003 H HG23 . VAL A 1 66 ? -8.456 11.524 -15.222 1.0 74.31 ? 66 A 6 +ATOM 1004 N N . GLN A 1 67 ? -7.753 14.381 -13.27 1.0 5.43 ? 67 A 6 +ATOM 1005 C CA . GLN A 1 67 ? -7.549 14.344 -11.827 1.0 15.5 ? 67 A 6 +ATOM 1006 C C . GLN A 1 67 ? -8.47 13.319 -11.173 1.0 62.54 ? 67 A 6 +ATOM 1007 O O . GLN A 1 67 ? -9.222 12.621 -11.854 1.0 44.01 ? 67 A 6 +ATOM 1008 C CB . GLN A 1 67 ? -7.793 15.727 -11.22 1.0 35.11 ? 67 A 6 +ATOM 1009 C CG . GLN A 1 67 ? -9.2 16.254 -11.454 1.0 11.21 ? 67 A 6 +ATOM 1010 C CD . GLN A 1 67 ? -9.212 17.687 -11.948 1.0 34.44 ? 67 A 6 +ATOM 1011 O OE1 . GLN A 1 67 ? -8.545 18.024 -12.926 1.0 41.54 ? 67 A 6 +ATOM 1012 N NE2 . GLN A 1 67 ? -9.973 18.54 -11.272 1.0 50.51 ? 67 A 6 +ATOM 1013 H H . GLN A 1 67 ? -8.47 14.939 -13.638 1.0 54.23 ? 67 A 6 +ATOM 1014 H HA . GLN A 1 67 ? -6.525 14.057 -11.645 1.0 21.13 ? 67 A 6 +ATOM 1015 H HB2 . GLN A 1 67 ? -7.624 15.675 -10.155 1.0 61.05 ? 67 A 6 +ATOM 1016 H HB3 . GLN A 1 67 ? -7.094 16.426 -11.654 1.0 21.05 ? 67 A 6 +ATOM 1017 H HG2 . GLN A 1 67 ? -9.686 15.632 -12.191 1.0 63.24 ? 67 A 6 +ATOM 1018 H HG3 . GLN A 1 67 ? -9.748 16.204 -10.525 1.0 63.02 ? 67 A 6 +ATOM 1019 H HE21 . GLN A 1 67 ? -10.476 18.201 -10.502 1.0 0.12 ? 67 A 6 +ATOM 1020 H HE22 . GLN A 1 67 ? -9.998 19.473 -11.569 1.0 72.41 ? 67 A 6 +ATOM 1021 N N . LYS A 1 68 ? -8.405 13.233 -9.849 1.0 63.33 ? 68 A 6 +ATOM 1022 C CA . LYS A 1 68 ? -9.233 12.294 -9.102 1.0 34.0 ? 68 A 6 +ATOM 1023 C C . LYS A 1 68 ? -10.714 12.532 -9.382 1.0 33.21 ? 68 A 6 +ATOM 1024 O O . LYS A 1 68 ? -11.518 11.601 -9.348 1.0 33.01 ? 68 A 6 +ATOM 1025 C CB . LYS A 1 68 ? -8.96 12.423 -7.601 1.0 41.41 ? 68 A 6 +ATOM 1026 C CG . LYS A 1 68 ? -9.495 11.261 -6.783 1.0 61.44 ? 68 A 6 +ATOM 1027 C CD . LYS A 1 68 ? -8.737 9.977 -7.077 1.0 43.41 ? 68 A 6 +ATOM 1028 C CE . LYS A 1 68 ? -7.404 9.938 -6.346 1.0 23.43 ? 68 A 6 +ATOM 1029 N NZ . LYS A 1 68 ? -7.577 10.02 -4.87 1.0 52.05 ? 68 A 6 +ATOM 1030 H H . LYS A 1 68 ? -7.786 13.817 -9.362 1.0 75.53 ? 68 A 6 +ATOM 1031 H HA . LYS A 1 68 ? -8.975 11.296 -9.421 1.0 31.4 ? 68 A 6 +ATOM 1032 H HB2 . LYS A 1 68 ? -7.893 12.485 -7.446 1.0 51.5 ? 68 A 6 +ATOM 1033 H HB3 . LYS A 1 68 ? -9.421 13.332 -7.241 1.0 62.4 ? 68 A 6 +ATOM 1034 H HG2 . LYS A 1 68 ? -9.394 11.494 -5.734 1.0 22.33 ? 68 A 6 +ATOM 1035 H HG3 . LYS A 1 68 ? -10.539 11.115 -7.022 1.0 45.02 ? 68 A 6 +ATOM 1036 H HD2 . LYS A 1 68 ? -9.334 9.136 -6.757 1.0 14.2 ? 68 A 6 +ATOM 1037 H HD3 . LYS A 1 68 ? -8.558 9.91 -8.14 1.0 13.53 ? 68 A 6 +ATOM 1038 H HE2 . LYS A 1 68 ? -6.902 9.014 -6.59 1.0 43.13 ? 68 A 6 +ATOM 1039 H HE3 . LYS A 1 68 ? -6.803 10.773 -6.677 1.0 63.42 ? 68 A 6 +ATOM 1040 H HZ1 . LYS A 1 68 ? -7.661 11.013 -4.574 1.0 1.54 ? 68 A 6 +ATOM 1041 H HZ2 . LYS A 1 68 ? -6.759 9.594 -4.39 1.0 73.32 ? 68 A 6 +ATOM 1042 H HZ3 . LYS A 1 68 ? -8.437 9.51 -4.582 1.0 23.44 ? 68 A 6 +ATOM 1043 N N . GLU A 1 69 ? -11.066 13.783 -9.66 1.0 51.1 ? 69 A 6 +ATOM 1044 C CA . GLU A 1 69 ? -12.45 14.141 -9.947 1.0 15.41 ? 69 A 6 +ATOM 1045 C C . GLU A 1 69 ? -12.518 15.305 -10.931 1.0 20.25 ? 69 A 6 +ATOM 1046 O O . GLU A 1 69 ? -12.65 16.462 -10.532 1.0 55.15 ? 69 A 6 +ATOM 1047 C CB . GLU A 1 69 ? -13.183 14.507 -8.655 1.0 42.14 ? 69 A 6 +ATOM 1048 C CG . GLU A 1 69 ? -12.433 15.508 -7.792 1.0 32.44 ? 69 A 6 +ATOM 1049 C CD . GLU A 1 69 ? -13.361 16.47 -7.074 1.0 60.3 ? 69 A 6 +ATOM 1050 O OE1 . GLU A 1 69 ? -14.521 16.091 -6.812 1.0 52.11 ? 69 A 6 +ATOM 1051 O OE2 . GLU A 1 69 ? -12.925 17.601 -6.775 1.0 33.22 ? 69 A 6 +ATOM 1052 H H . GLU A 1 69 ? -10.379 14.482 -9.672 1.0 51.55 ? 69 A 6 +ATOM 1053 H HA . GLU A 1 69 ? -12.929 13.282 -10.391 1.0 21.13 ? 69 A 6 +ATOM 1054 H HB2 . GLU A 1 69 ? -14.145 14.93 -8.908 1.0 70.35 ? 69 A 6 +ATOM 1055 H HB3 . GLU A 1 69 ? -13.337 13.609 -8.076 1.0 25.14 ? 69 A 6 +ATOM 1056 H HG2 . GLU A 1 69 ? -11.859 14.969 -7.054 1.0 60.54 ? 69 A 6 +ATOM 1057 H HG3 . GLU A 1 69 ? -11.765 16.078 -8.421 1.0 2.43 ? 69 A 6 +ATOM 1058 N N . SER A 1 70 ? -12.427 14.99 -12.219 1.0 51.41 ? 70 A 6 +ATOM 1059 C CA . SER A 1 70 ? -12.473 16.009 -13.261 1.0 50.24 ? 70 A 6 +ATOM 1060 C C . SER A 1 70 ? -13.877 16.124 -13.846 1.0 72.1 ? 70 A 6 +ATOM 1061 O O . SER A 1 70 ? -14.482 15.127 -14.242 1.0 13.02 ? 70 A 6 +ATOM 1062 C CB . SER A 1 70 ? -11.471 15.682 -14.369 1.0 75.43 ? 70 A 6 +ATOM 1063 O OG . SER A 1 70 ? -10.676 16.81 -14.687 1.0 45.33 ? 70 A 6 +ATOM 1064 H H . SER A 1 70 ? -12.323 14.049 -12.474 1.0 42.55 ? 70 A 6 +ATOM 1065 H HA . SER A 1 70 ? -12.205 16.954 -12.812 1.0 61.25 ? 70 A 6 +ATOM 1066 H HB2 . SER A 1 70 ? -10.825 14.882 -14.042 1.0 1.23 ? 70 A 6 +ATOM 1067 H HB3 . SER A 1 70 ? -12.007 15.373 -15.255 1.0 50.33 ? 70 A 6 +ATOM 1068 H HG . SER A 1 70 ? -11.244 17.561 -14.873 1.0 14.24 ? 70 A 6 +ATOM 1069 N N . THR A 1 71 ? -14.392 17.349 -13.897 1.0 52.55 ? 71 A 6 +ATOM 1070 C CA . THR A 1 71 ? -15.725 17.596 -14.433 1.0 43.33 ? 71 A 6 +ATOM 1071 C C . THR A 1 71 ? -15.664 17.975 -15.908 1.0 63.44 ? 71 A 6 +ATOM 1072 O O . THR A 1 71 ? -15.064 18.986 -16.275 1.0 13.52 ? 71 A 6 +ATOM 1073 C CB . THR A 1 71 ? -16.444 18.715 -13.656 1.0 4.41 ? 71 A 6 +ATOM 1074 O OG1 . THR A 1 71 ? -15.503 19.719 -13.261 1.0 4.41 ? 71 A 6 +ATOM 1075 C CG2 . THR A 1 71 ? -17.144 18.157 -12.426 1.0 4.35 ? 71 A 6 +ATOM 1076 H H . THR A 1 71 ? -13.862 18.103 -13.566 1.0 14.04 ? 71 A 6 +ATOM 1077 H HA . THR A 1 71 ? -16.3 16.687 -14.328 1.0 24.13 ? 71 A 6 +ATOM 1078 H HB . THR A 1 71 ? -17.186 19.162 -14.303 1.0 70.41 ? 71 A 6 +ATOM 1079 H HG1 . THR A 1 71 ? -15.832 20.585 -13.515 1.0 53.11 ? 71 A 6 +ATOM 1080 H HG21 . THR A 1 71 ? -16.585 17.316 -12.044 1.0 12.42 ? 71 A 6 +ATOM 1081 H HG22 . THR A 1 71 ? -18.14 17.834 -12.694 1.0 75.2 ? 71 A 6 +ATOM 1082 H HG23 . THR A 1 71 ? -17.206 18.923 -11.668 1.0 31.12 ? 71 A 6 +ATOM 1083 N N . LEU A 1 72 ? -16.288 17.159 -16.75 1.0 74.32 ? 72 A 6 +ATOM 1084 C CA . LEU A 1 72 ? -16.305 17.409 -18.187 1.0 62.12 ? 72 A 6 +ATOM 1085 C C . LEU A 1 72 ? -17.72 17.286 -18.744 1.0 14.1 ? 72 A 6 +ATOM 1086 O O . LEU A 1 72 ? -18.554 16.565 -18.196 1.0 22.33 ? 72 A 6 +ATOM 1087 C CB . LEU A 1 72 ? -15.374 16.432 -18.906 1.0 54.24 ? 72 A 6 +ATOM 1088 C CG . LEU A 1 72 ? -16.02 15.145 -19.42 1.0 12.34 ? 72 A 6 +ATOM 1089 C CD1 . LEU A 1 72 ? -16.4 15.286 -20.886 1.0 71.53 ? 72 A 6 +ATOM 1090 C CD2 . LEU A 1 72 ? -15.083 13.962 -19.222 1.0 45.31 ? 72 A 6 +ATOM 1091 H H . LEU A 1 72 ? -16.749 16.369 -16.398 1.0 40.44 ? 72 A 6 +ATOM 1092 H HA . LEU A 1 72 ? -15.953 18.417 -18.352 1.0 22.23 ? 72 A 6 +ATOM 1093 H HB2 . LEU A 1 72 ? -14.944 16.946 -19.752 1.0 24.33 ? 72 A 6 +ATOM 1094 H HB3 . LEU A 1 72 ? -14.588 16.157 -18.217 1.0 64.44 ? 72 A 6 +ATOM 1095 H HG . LEU A 1 72 ? -16.924 14.954 -18.858 1.0 60.22 ? 72 A 6 +ATOM 1096 H HD11 . LEU A 1 72 ? -17.468 15.419 -20.969 1.0 22.12 ? 72 A 6 +ATOM 1097 H HD12 . LEU A 1 72 ? -16.105 14.396 -21.421 1.0 11.12 ? 72 A 6 +ATOM 1098 H HD13 . LEU A 1 72 ? -15.895 16.143 -21.307 1.0 74.11 ? 72 A 6 +ATOM 1099 H HD21 . LEU A 1 72 ? -14.06 14.308 -19.228 1.0 45.11 ? 72 A 6 +ATOM 1100 H HD22 . LEU A 1 72 ? -15.227 13.251 -20.021 1.0 64.51 ? 72 A 6 +ATOM 1101 H HD23 . LEU A 1 72 ? -15.297 13.488 -18.275 1.0 15.53 ? 72 A 6 +ATOM 1102 N N . HIS A 1 73 ? -17.983 17.992 -19.84 1.0 22.1 ? 73 A 6 +ATOM 1103 C CA . HIS A 1 73 ? -19.296 17.959 -20.474 1.0 43.22 ? 73 A 6 +ATOM 1104 C C . HIS A 1 73 ? -19.316 16.962 -21.629 1.0 1.12 ? 73 A 6 +ATOM 1105 O O . HIS A 1 73 ? -18.549 17.087 -22.584 1.0 41.41 ? 73 A 6 +ATOM 1106 C CB . HIS A 1 73 ? -19.677 19.351 -20.979 1.0 34.11 ? 73 A 6 +ATOM 1107 C CG . HIS A 1 73 ? -21.121 19.477 -21.354 1.0 25.31 ? 73 A 6 +ATOM 1108 N ND1 . HIS A 1 73 ? -21.953 18.39 -21.524 1.0 22.31 ? 73 A 6 +ATOM 1109 C CD2 . HIS A 1 73 ? -21.882 20.572 -21.589 1.0 30.12 ? 73 A 6 +ATOM 1110 C CE1 . HIS A 1 73 ? -23.162 18.811 -21.85 1.0 74.03 ? 73 A 6 +ATOM 1111 N NE2 . HIS A 1 73 ? -23.146 20.131 -21.896 1.0 22.32 ? 73 A 6 +ATOM 1112 H H . HIS A 1 73 ? -17.277 18.547 -20.231 1.0 41.1 ? 73 A 6 +ATOM 1113 H HA . HIS A 1 73 ? -20.014 17.645 -19.732 1.0 23.25 ? 73 A 6 +ATOM 1114 H HB2 . HIS A 1 73 ? -19.47 20.076 -20.206 1.0 51.13 ? 73 A 6 +ATOM 1115 H HB3 . HIS A 1 73 ? -19.085 19.584 -21.852 1.0 64.13 ? 73 A 6 +ATOM 1116 H HD1 . HIS A 1 73 ? -21.694 17.451 -21.423 1.0 63.31 ? 73 A 6 +ATOM 1117 H HD2 . HIS A 1 73 ? -21.556 21.601 -21.545 1.0 71.43 ? 73 A 6 +ATOM 1118 H HE1 . HIS A 1 73 ? -24.018 18.183 -22.045 1.0 3.34 ? 73 A 6 +ATOM 1119 N N . LEU A 1 74 ? -20.198 15.973 -21.535 1.0 31.4 ? 74 A 6 +ATOM 1120 C CA . LEU A 1 74 ? -20.319 14.954 -22.572 1.0 41.22 ? 74 A 6 +ATOM 1121 C C . LEU A 1 74 ? -21.635 15.1 -23.329 1.0 21.0 ? 74 A 6 +ATOM 1122 O O . LEU A 1 74 ? -22.714 14.957 -22.753 1.0 70.53 ? 74 A 6 +ATOM 1123 C CB . LEU A 1 74 ? -20.224 13.557 -21.955 1.0 42.32 ? 74 A 6 +ATOM 1124 C CG . LEU A 1 74 ? -20.696 12.401 -22.837 1.0 13.02 ? 74 A 6 +ATOM 1125 C CD1 . LEU A 1 74 ? -19.894 12.353 -24.129 1.0 50.12 ? 74 A 6 +ATOM 1126 C CD2 . LEU A 1 74 ? -20.586 11.08 -22.089 1.0 22.4 ? 74 A 6 +ATOM 1127 H H . LEU A 1 74 ? -20.783 15.926 -20.751 1.0 53.04 ? 74 A 6 +ATOM 1128 H HA . LEU A 1 74 ? -19.502 15.089 -23.265 1.0 65.43 ? 74 A 6 +ATOM 1129 H HB2 . LEU A 1 74 ? -19.19 13.378 -21.701 1.0 22.02 ? 74 A 6 +ATOM 1130 H HB3 . LEU A 1 74 ? -20.821 13.553 -21.055 1.0 20.31 ? 74 A 6 +ATOM 1131 H HG . LEU A 1 74 ? -21.735 12.554 -23.096 1.0 34.12 ? 74 A 6 +ATOM 1132 H HD11 . LEU A 1 74 ? -18.964 12.883 -23.995 1.0 33.01 ? 74 A 6 +ATOM 1133 H HD12 . LEU A 1 74 ? -20.462 12.816 -24.922 1.0 1.34 ? 74 A 6 +ATOM 1134 H HD13 . LEU A 1 74 ? -19.689 11.324 -24.387 1.0 63.14 ? 74 A 6 +ATOM 1135 H HD21 . LEU A 1 74 ? -21.324 10.39 -22.468 1.0 12.32 ? 74 A 6 +ATOM 1136 H HD22 . LEU A 1 74 ? -20.755 11.249 -21.036 1.0 54.43 ? 74 A 6 +ATOM 1137 H HD23 . LEU A 1 74 ? -19.598 10.667 -22.233 1.0 14.02 ? 74 A 6 +ATOM 1138 N N . VAL A 1 75 ? -21.539 15.384 -24.624 1.0 43.5 ? 75 A 6 +ATOM 1139 C CA . VAL A 1 75 ? -22.722 15.546 -25.461 1.0 52.32 ? 75 A 6 +ATOM 1140 C C . VAL A 1 75 ? -22.837 14.413 -26.474 1.0 61.15 ? 75 A 6 +ATOM 1141 O O . VAL A 1 75 ? -21.843 13.994 -27.07 1.0 54.31 ? 75 A 6 +ATOM 1142 C CB . VAL A 1 75 ? -22.699 16.891 -26.211 1.0 24.5 ? 75 A 6 +ATOM 1143 C CG1 . VAL A 1 75 ? -22.979 18.04 -25.255 1.0 55.3 ? 75 A 6 +ATOM 1144 C CG2 . VAL A 1 75 ? -21.365 17.085 -26.915 1.0 64.14 ? 75 A 6 +ATOM 1145 H H . VAL A 1 75 ? -20.651 15.486 -25.026 1.0 70.11 ? 75 A 6 +ATOM 1146 H HA . VAL A 1 75 ? -23.59 15.53 -24.818 1.0 60.52 ? 75 A 6 +ATOM 1147 H HB . VAL A 1 75 ? -23.478 16.876 -26.959 1.0 44.41 ? 75 A 6 +ATOM 1148 H HG11 . VAL A 1 75 ? -23.653 17.707 -24.479 1.0 31.54 ? 75 A 6 +ATOM 1149 H HG12 . VAL A 1 75 ? -22.052 18.373 -24.81 1.0 61.34 ? 75 A 6 +ATOM 1150 H HG13 . VAL A 1 75 ? -23.432 18.857 -25.797 1.0 54.52 ? 75 A 6 +ATOM 1151 H HG21 . VAL A 1 75 ? -21.216 16.291 -27.631 1.0 5.24 ? 75 A 6 +ATOM 1152 H HG22 . VAL A 1 75 ? -21.363 18.036 -27.426 1.0 61.35 ? 75 A 6 +ATOM 1153 H HG23 . VAL A 1 75 ? -20.567 17.066 -26.187 1.0 24.43 ? 75 A 6 +ATOM 1154 N N . LEU A 1 76 ? -24.056 13.92 -26.667 1.0 35.1 ? 76 A 6 +ATOM 1155 C CA . LEU A 1 76 ? -24.302 12.835 -27.61 1.0 22.53 ? 76 A 6 +ATOM 1156 C C . LEU A 1 76 ? -25.355 13.235 -28.638 1.0 2.14 ? 76 A 6 +ATOM 1157 O O . LEU A 1 76 ? -26.368 13.847 -28.297 1.0 21.5 ? 76 A 6 +ATOM 1158 C CB . LEU A 1 76 ? -24.752 11.577 -26.864 1.0 73.12 ? 76 A 6 +ATOM 1159 C CG . LEU A 1 76 ? -24.477 11.553 -25.36 1.0 64.45 ? 76 A 6 +ATOM 1160 C CD1 . LEU A 1 76 ? -25.622 12.2 -24.598 1.0 24.13 ? 76 A 6 +ATOM 1161 C CD2 . LEU A 1 76 ? -24.253 10.126 -24.882 1.0 22.03 ? 76 A 6 +ATOM 1162 H H . LEU A 1 76 ? -24.808 14.294 -26.163 1.0 44.32 ? 76 A 6 +ATOM 1163 H HA . LEU A 1 76 ? -23.376 12.626 -28.124 1.0 53.04 ? 76 A 6 +ATOM 1164 H HB2 . LEU A 1 76 ? -25.817 11.472 -27.007 1.0 71.31 ? 76 A 6 +ATOM 1165 H HB3 . LEU A 1 76 ? -24.246 10.732 -27.308 1.0 62.14 ? 76 A 6 +ATOM 1166 H HG . LEU A 1 76 ? -23.579 12.12 -25.157 1.0 42.11 ? 76 A 6 +ATOM 1167 H HD11 . LEU A 1 76 ? -25.617 11.851 -23.576 1.0 12.14 ? 76 A 6 +ATOM 1168 H HD12 . LEU A 1 76 ? -26.56 11.936 -25.064 1.0 23.21 ? 76 A 6 +ATOM 1169 H HD13 . LEU A 1 76 ? -25.504 13.274 -24.612 1.0 40.2 ? 76 A 6 +ATOM 1170 H HD21 . LEU A 1 76 ? -23.884 9.526 -25.7 1.0 53.24 ? 76 A 6 +ATOM 1171 H HD22 . LEU A 1 76 ? -25.186 9.716 -24.526 1.0 72.02 ? 76 A 6 +ATOM 1172 H HD23 . LEU A 1 76 ? -23.53 10.125 -24.079 1.0 63.4 ? 76 A 6 +ATOM 1173 N N . ARG A 1 77 ? -25.111 12.883 -29.896 1.0 50.44 ? 77 A 6 +ATOM 1174 C CA . ARG A 1 77 ? -26.039 13.205 -30.973 1.0 12.4 ? 77 A 6 +ATOM 1175 C C . ARG A 1 77 ? -26.915 12.003 -31.313 1.0 10.32 ? 77 A 6 +ATOM 1176 O O . ARG A 1 77 ? -27.106 11.672 -32.484 1.0 12.43 ? 77 A 6 +ATOM 1177 C CB . ARG A 1 77 ? -25.272 13.659 -32.217 1.0 55.35 ? 77 A 6 +ATOM 1178 C CG . ARG A 1 77 ? -24.248 12.646 -32.704 1.0 12.22 ? 77 A 6 +ATOM 1179 C CD . ARG A 1 77 ? -22.835 13.202 -32.626 1.0 60.22 ? 77 A 6 +ATOM 1180 N NE . ARG A 1 77 ? -22.505 14.025 -33.786 1.0 64.33 ? 77 A 6 +ATOM 1181 C CZ . ARG A 1 77 ? -22.124 13.527 -34.957 1.0 13.31 ? 77 A 6 +ATOM 1182 N NH1 . ARG A 1 77 ? -22.026 12.215 -35.122 1.0 63.3 ? 77 A 6 +ATOM 1183 N NH2 . ARG A 1 77 ? -21.841 14.341 -35.965 1.0 70.54 ? 77 A 6 +ATOM 1184 H H . ARG A 1 77 ? -24.286 12.397 -30.105 1.0 2.41 ? 77 A 6 +ATOM 1185 H HA . ARG A 1 77 ? -26.671 14.013 -30.637 1.0 53.23 ? 77 A 6 +ATOM 1186 H HB2 . ARG A 1 77 ? -25.977 13.837 -33.015 1.0 41.04 ? 77 A 6 +ATOM 1187 H HB3 . ARG A 1 77 ? -24.756 14.58 -31.991 1.0 23.23 ? 77 A 6 +ATOM 1188 H HG2 . ARG A 1 77 ? -24.31 11.761 -32.089 1.0 3.21 ? 77 A 6 +ATOM 1189 H HG3 . ARG A 1 77 ? -24.469 12.39 -33.73 1.0 45.32 ? 77 A 6 +ATOM 1190 H HD2 . ARG A 1 77 ? -22.747 13.803 -31.733 1.0 24.22 ? 77 A 6 +ATOM 1191 H HD3 . ARG A 1 77 ? -22.141 12.376 -32.573 1.0 55.12 ? 77 A 6 +ATOM 1192 H HE . ARG A 1 77 ? -22.571 14.997 -33.686 1.0 41.44 ? 77 A 6 +ATOM 1193 H HH11 . ARG A 1 77 ? -22.239 11.599 -34.364 1.0 31.24 ? 77 A 6 +ATOM 1194 H HH12 . ARG A 1 77 ? -21.74 11.842 -36.005 1.0 72.5 ? 77 A 6 +ATOM 1195 H HH21 . ARG A 1 77 ? -21.914 15.33 -35.844 1.0 71.34 ? 77 A 6 +ATOM 1196 H HH22 . ARG A 1 77 ? -21.554 13.965 -36.846 1.0 1.44 ? 77 A 6 +ATOM 1197 N N . LEU A 1 78 ? -27.445 11.354 -30.283 1.0 31.03 ? 78 A 6 +ATOM 1198 C CA . LEU A 1 78 ? -28.301 10.188 -30.471 1.0 51.32 ? 78 A 6 +ATOM 1199 C C . LEU A 1 78 ? -29.544 10.55 -31.278 1.0 14.11 ? 78 A 6 +ATOM 1200 O O . LEU A 1 78 ? -29.923 9.836 -32.206 1.0 12.31 ? 78 A 6 +ATOM 1201 C CB . LEU A 1 78 ? -28.71 9.606 -29.117 1.0 42.51 ? 78 A 6 +ATOM 1202 C CG . LEU A 1 78 ? -27.928 8.378 -28.65 1.0 51.45 ? 78 A 6 +ATOM 1203 C CD1 . LEU A 1 78 ? -26.575 8.789 -28.09 1.0 14.44 ? 78 A 6 +ATOM 1204 C CD2 . LEU A 1 78 ? -28.724 7.602 -27.611 1.0 25.32 ? 78 A 6 +ATOM 1205 H H . LEU A 1 78 ? -27.257 11.665 -29.373 1.0 75.31 ? 78 A 6 +ATOM 1206 H HA . LEU A 1 78 ? -27.736 9.447 -31.016 1.0 64.2 ? 78 A 6 +ATOM 1207 H HB2 . LEU A 1 78 ? -28.586 10.379 -28.374 1.0 61.14 ? 78 A 6 +ATOM 1208 H HB3 . LEU A 1 78 ? -29.754 9.332 -29.177 1.0 62.32 ? 78 A 6 +ATOM 1209 H HG . LEU A 1 78 ? -27.755 7.727 -29.495 1.0 53.42 ? 78 A 6 +ATOM 1210 H HD11 . LEU A 1 78 ? -26.698 9.149 -27.08 1.0 3.24 ? 78 A 6 +ATOM 1211 H HD12 . LEU A 1 78 ? -26.154 9.572 -28.703 1.0 74.14 ? 78 A 6 +ATOM 1212 H HD13 . LEU A 1 78 ? -25.911 7.936 -28.09 1.0 11.41 ? 78 A 6 +ATOM 1213 H HD21 . LEU A 1 78 ? -28.907 6.601 -27.972 1.0 65.32 ? 78 A 6 +ATOM 1214 H HD22 . LEU A 1 78 ? -29.666 8.1 -27.435 1.0 65.43 ? 78 A 6 +ATOM 1215 H HD23 . LEU A 1 78 ? -28.163 7.556 -26.689 1.0 34.04 ? 78 A 6 +ATOM 1216 N N . ARG A 1 79 ? -30.172 11.665 -30.919 1.0 44.5 ? 79 A 6 +ATOM 1217 C CA . ARG A 1 79 ? -31.372 12.122 -31.611 1.0 54.44 ? 79 A 6 +ATOM 1218 C C . ARG A 1 79 ? -32.49 11.09 -31.5 1.0 43.43 ? 79 A 6 +ATOM 1219 O O . ARG A 1 79 ? -32.364 10.097 -30.785 1.0 24.23 ? 79 A 6 +ATOM 1220 C CB . ARG A 1 79 ? -31.063 12.4 -33.083 1.0 53.1 ? 79 A 6 +ATOM 1221 C CG . ARG A 1 79 ? -31.704 13.673 -33.61 1.0 62.42 ? 79 A 6 +ATOM 1222 C CD . ARG A 1 79 ? -30.715 14.828 -33.629 1.0 15.2 ? 79 A 6 +ATOM 1223 N NE . ARG A 1 79 ? -30.531 15.369 -34.973 1.0 22.21 ? 79 A 6 +ATOM 1224 C CZ . ARG A 1 79 ? -29.679 16.347 -35.261 1.0 43.33 ? 79 A 6 +ATOM 1225 N NH1 . ARG A 1 79 ? -28.937 16.887 -34.305 1.0 51.34 ? 79 A 6 +ATOM 1226 N NH2 . ARG A 1 79 ? -29.568 16.785 -36.509 1.0 24.34 ? 79 A 6 +ATOM 1227 H H . ARG A 1 79 ? -29.822 12.192 -30.171 1.0 30.43 ? 79 A 6 +ATOM 1228 H HA . ARG A 1 79 ? -31.696 13.038 -31.141 1.0 75.12 ? 79 A 6 +ATOM 1229 H HB2 . ARG A 1 79 ? -29.993 12.485 -33.205 1.0 72.51 ? 79 A 6 +ATOM 1230 H HB3 . ARG A 1 79 ? -31.419 11.571 -33.675 1.0 62.3 ? 79 A 6 +ATOM 1231 H HG2 . ARG A 1 79 ? -32.055 13.498 -34.617 1.0 34.21 ? 79 A 6 +ATOM 1232 H HG3 . ARG A 1 79 ? -32.538 13.934 -32.976 1.0 51.44 ? 79 A 6 +ATOM 1233 H HD2 . ARG A 1 79 ? -31.085 15.611 -32.984 1.0 21.42 ? 79 A 6 +ATOM 1234 H HD3 . ARG A 1 79 ? -29.764 14.476 -33.259 1.0 24.22 ? 79 A 6 +ATOM 1235 H HE . ARG A 1 79 ? -31.07 14.984 -35.695 1.0 63.2 ? 79 A 6 +ATOM 1236 H HH11 . ARG A 1 79 ? -29.017 16.558 -33.364 1.0 0.03 ? 79 A 6 +ATOM 1237 H HH12 . ARG A 1 79 ? -28.295 17.622 -34.525 1.0 54.33 ? 79 A 6 +ATOM 1238 H HH21 . ARG A 1 79 ? -30.126 16.38 -37.232 1.0 72.3 ? 79 A 6 +ATOM 1239 H HH22 . ARG A 1 79 ? -28.927 17.521 -36.725 1.0 2.44 ? 79 A 6 +ATOM 1240 N N . GLY A 1 80 ? -33.585 11.332 -32.214 1.0 11.03 ? 80 A 6 +ATOM 1241 C CA . GLY A 1 80 ? -34.71 10.416 -32.182 1.0 3.12 ? 80 A 6 +ATOM 1242 C C . GLY A 1 80 ? -34.695 9.439 -33.341 1.0 52.34 ? 80 A 6 +ATOM 1243 O O . GLY A 1 80 ? -35.619 9.415 -34.154 1.0 43.44 ? 80 A 6 +ATOM 1244 H H . GLY A 1 80 ? -33.63 12.14 -32.767 1.0 0.24 ? 80 A 6 +ATOM 1245 H HA2 . GLY A 1 80 ? -34.681 9.86 -31.257 1.0 71.24 ? 80 A 6 +ATOM 1246 H HA3 . GLY A 1 80 ? -35.626 10.987 -32.219 1.0 43.14 ? 80 A 6 +ATOM 1247 N N . GLY A 1 81 ? -33.642 8.631 -33.42 1.0 43.34 ? 81 A 6 +ATOM 1248 C CA . GLY A 1 81 ? -33.53 7.661 -34.493 1.0 20.2 ? 81 A 6 +ATOM 1249 C C . GLY A 1 81 ? -32.108 7.516 -34.997 1.0 63.23 ? 81 A 6 +ATOM 1250 O O . GLY A 1 81 ? -31.664 8.28 -35.854 1.0 30.24 ? 81 A 6 +ATOM 1251 H H . GLY A 1 81 ? -32.935 8.695 -32.744 1.0 11.33 ? 81 A 6 +ATOM 1252 H HA2 . GLY A 1 81 ? -33.873 6.702 -34.134 1.0 30.51 ? 81 A 6 +ATOM 1253 H HA3 . GLY A 1 81 ? -34.16 7.974 -35.313 1.0 55.14 ? 81 A 6 +ATOM 1254 N N . VAL A 1 82 ? -31.389 6.533 -34.464 1.0 30.52 ? 82 A 6 +ATOM 1255 C CA . VAL A 1 82 ? -30.009 6.291 -34.864 1.0 4.45 ? 82 A 6 +ATOM 1256 C C . VAL A 1 82 ? -29.143 7.523 -34.627 1.0 63.52 ? 82 A 6 +ATOM 1257 O O . VAL A 1 82 ? -28.251 7.513 -33.779 1.0 12.52 ? 82 A 6 +ATOM 1258 C CB . VAL A 1 82 ? -29.917 5.891 -36.349 1.0 53.54 ? 82 A 6 +ATOM 1259 C CG1 . VAL A 1 82 ? -28.47 5.646 -36.748 1.0 33.31 ? 82 A 6 +ATOM 1260 C CG2 . VAL A 1 82 ? -30.769 4.661 -36.622 1.0 1.13 ? 82 A 6 +ATOM 1261 H H . VAL A 1 82 ? -31.798 5.957 -33.785 1.0 42.11 ? 82 A 6 +ATOM 1262 H HA . VAL A 1 82 ? -29.627 5.474 -34.269 1.0 65.12 ? 82 A 6 +ATOM 1263 H HB . VAL A 1 82 ? -30.298 6.707 -36.945 1.0 3.02 ? 82 A 6 +ATOM 1264 H HG11 . VAL A 1 82 ? -27.877 5.47 -35.862 1.0 71.54 ? 82 A 6 +ATOM 1265 H HG12 . VAL A 1 82 ? -28.415 4.783 -37.395 1.0 43.52 ? 82 A 6 +ATOM 1266 H HG13 . VAL A 1 82 ? -28.089 6.512 -37.269 1.0 60.31 ? 82 A 6 +ATOM 1267 H HG21 . VAL A 1 82 ? -31.806 4.952 -36.705 1.0 51.1 ? 82 A 6 +ATOM 1268 H HG22 . VAL A 1 82 ? -30.449 4.2 -37.545 1.0 43.42 ? 82 A 6 +ATOM 1269 H HG23 . VAL A 1 82 ? -30.657 3.956 -35.811 1.0 61.21 ? 82 A 6 +ATOM 1 N N . GLY A 1 1 ? -16.213 -2.755 -4.123 1.0 13.0 ? 1 A 7 +ATOM 2 C CA . GLY A 1 1 ? -14.78 -2.971 -4.2 1.0 45.03 ? 1 A 7 +ATOM 3 C C . GLY A 1 1 ? -14.121 -2.115 -5.264 1.0 65.21 ? 1 A 7 +ATOM 4 O O . GLY A 1 1 ? -13.649 -2.613 -6.286 1.0 33.34 ? 1 A 7 +ATOM 5 H H1 . GLY A 1 1 ? -16.621 -2.484 -3.274 1.0 52.4 ? 1 A 7 +ATOM 6 H HA2 . GLY A 1 1 ? -14.34 -2.738 -3.242 1.0 14.15 ? 1 A 7 +ATOM 7 H HA3 . GLY A 1 1 ? -14.596 -4.011 -4.426 1.0 34.23 ? 1 A 7 +ATOM 8 N N . PRO A 1 2 ? -14.084 -0.795 -5.028 1.0 55.32 ? 2 A 7 +ATOM 9 C CA . PRO A 1 2 ? -13.482 0.159 -5.963 1.0 21.43 ? 2 A 7 +ATOM 10 C C . PRO A 1 2 ? -11.964 0.029 -6.027 1.0 41.45 ? 2 A 7 +ATOM 11 O O . PRO A 1 2 ? -11.329 -0.42 -5.072 1.0 62.42 ? 2 A 7 +ATOM 12 C CB . PRO A 1 2 ? -13.878 1.52 -5.386 1.0 51.45 ? 2 A 7 +ATOM 13 C CG . PRO A 1 2 ? -14.091 1.268 -3.933 1.0 43.11 ? 2 A 7 +ATOM 14 C CD . PRO A 1 2 ? -14.628 -0.133 -3.83 1.0 64.14 ? 2 A 7 +ATOM 15 H HA . PRO A 1 2 ? -13.893 0.054 -6.957 1.0 31.54 ? 2 A 7 +ATOM 16 H HB2 . PRO A 1 2 ? -13.081 2.231 -5.552 1.0 42.4 ? 2 A 7 +ATOM 17 H HB3 . PRO A 1 2 ? -14.783 1.868 -5.862 1.0 62.54 ? 2 A 7 +ATOM 18 H HG2 . PRO A 1 2 ? -13.153 1.35 -3.405 1.0 3.22 ? 2 A 7 +ATOM 19 H HG3 . PRO A 1 2 ? -14.808 1.973 -3.539 1.0 51.14 ? 2 A 7 +ATOM 20 H HD2 . PRO A 1 2 ? -14.269 -0.61 -2.93 1.0 11.0 ? 2 A 7 +ATOM 21 H HD3 . PRO A 1 2 ? -15.708 -0.126 -3.851 1.0 24.12 ? 2 A 7 +ATOM 22 N N . LEU A 1 3 ? -11.387 0.426 -7.156 1.0 34.12 ? 3 A 7 +ATOM 23 C CA . LEU A 1 3 ? -9.943 0.354 -7.344 1.0 54.03 ? 3 A 7 +ATOM 24 C C . LEU A 1 3 ? -9.527 1.044 -8.639 1.0 63.21 ? 3 A 7 +ATOM 25 O O . LEU A 1 3 ? -10.21 0.941 -9.656 1.0 11.24 ? 3 A 7 +ATOM 26 C CB . LEU A 1 3 ? -9.482 -1.105 -7.359 1.0 60.12 ? 3 A 7 +ATOM 27 C CG . LEU A 1 3 ? -8.224 -1.42 -6.55 1.0 64.13 ? 3 A 7 +ATOM 28 C CD1 . LEU A 1 3 ? -7.058 -0.564 -7.021 1.0 62.25 ? 3 A 7 +ATOM 29 C CD2 . LEU A 1 3 ? -8.477 -1.208 -5.065 1.0 0.12 ? 3 A 7 +ATOM 30 H H . LEU A 1 3 ? -11.946 0.775 -7.881 1.0 52.35 ? 3 A 7 +ATOM 31 H HA . LEU A 1 3 ? -9.475 0.862 -6.513 1.0 43.13 ? 3 A 7 +ATOM 32 H HB2 . LEU A 1 3 ? -10.286 -1.709 -6.969 1.0 74.24 ? 3 A 7 +ATOM 33 H HB3 . LEU A 1 3 ? -9.293 -1.38 -8.387 1.0 72.41 ? 3 A 7 +ATOM 34 H HG . LEU A 1 3 ? -7.957 -2.457 -6.7 1.0 43.5 ? 3 A 7 +ATOM 35 H HD11 . LEU A 1 3 ? -7.061 0.373 -6.486 1.0 50.45 ? 3 A 7 +ATOM 36 H HD12 . LEU A 1 3 ? -7.155 -0.375 -8.08 1.0 4.34 ? 3 A 7 +ATOM 37 H HD13 . LEU A 1 3 ? -6.13 -1.085 -6.832 1.0 54.42 ? 3 A 7 +ATOM 38 H HD21 . LEU A 1 3 ? -7.534 -1.172 -4.54 1.0 23.33 ? 3 A 7 +ATOM 39 H HD22 . LEU A 1 3 ? -9.072 -2.024 -4.682 1.0 1.01 ? 3 A 7 +ATOM 40 H HD23 . LEU A 1 3 ? -9.007 -0.277 -4.92 1.0 75.24 ? 3 A 7 +ATOM 41 N N . GLY A 1 4 ? -8.399 1.748 -8.593 1.0 4.21 ? 4 A 7 +ATOM 42 C CA . GLY A 1 4 ? -7.911 2.443 -9.77 1.0 43.34 ? 4 A 7 +ATOM 43 C C . GLY A 1 4 ? -7.184 3.727 -9.424 1.0 32.24 ? 4 A 7 +ATOM 44 O O . GLY A 1 4 ? -7.356 4.272 -8.333 1.0 73.31 ? 4 A 7 +ATOM 45 H H . GLY A 1 4 ? -7.895 1.795 -7.754 1.0 2.13 ? 4 A 7 +ATOM 46 H HA2 . GLY A 1 4 ? -7.235 1.792 -10.304 1.0 53.5 ? 4 A 7 +ATOM 47 H HA3 . GLY A 1 4 ? -8.749 2.678 -10.409 1.0 61.41 ? 4 A 7 +ATOM 48 N N . SER A 1 5 ? -6.367 4.212 -10.354 1.0 14.33 ? 5 A 7 +ATOM 49 C CA . SER A 1 5 ? -5.607 5.438 -10.14 1.0 12.42 ? 5 A 7 +ATOM 50 C C . SER A 1 5 ? -6.534 6.598 -9.79 1.0 43.22 ? 5 A 7 +ATOM 51 O O . SER A 1 5 ? -6.616 7.015 -8.635 1.0 33.52 ? 5 A 7 +ATOM 52 C CB . SER A 1 5 ? -4.791 5.782 -11.387 1.0 72.02 ? 5 A 7 +ATOM 53 O OG . SER A 1 5 ? -4.221 7.075 -11.284 1.0 21.35 ? 5 A 7 +ATOM 54 H H . SER A 1 5 ? -6.272 3.733 -11.203 1.0 31.12 ? 5 A 7 +ATOM 55 H HA . SER A 1 5 ? -4.933 5.27 -9.313 1.0 12.32 ? 5 A 7 +ATOM 56 H HB2 . SER A 1 5 ? -3.997 5.06 -11.504 1.0 41.01 ? 5 A 7 +ATOM 57 H HB3 . SER A 1 5 ? -5.434 5.753 -12.254 1.0 74.13 ? 5 A 7 +ATOM 58 H HG . SER A 1 5 ? -3.843 7.189 -10.409 1.0 33.45 ? 5 A 7 +ATOM 59 N N . MET A 1 6 ? -7.231 7.115 -10.796 1.0 14.01 ? 6 A 7 +ATOM 60 C CA . MET A 1 6 ? -8.154 8.226 -10.595 1.0 54.33 ? 6 A 7 +ATOM 61 C C . MET A 1 6 ? -9.479 7.967 -11.305 1.0 31.44 ? 6 A 7 +ATOM 62 O O . MET A 1 6 ? -9.656 6.934 -11.95 1.0 1.11 ? 6 A 7 +ATOM 63 C CB . MET A 1 6 ? -7.535 9.529 -11.105 1.0 70.21 ? 6 A 7 +ATOM 64 C CG . MET A 1 6 ? -7.19 9.5 -12.585 1.0 25.05 ? 6 A 7 +ATOM 65 S SD . MET A 1 6 ? -5.413 9.452 -12.883 1.0 3.44 ? 6 A 7 +ATOM 66 C CE . MET A 1 6 ? -4.889 10.95 -12.053 1.0 13.21 ? 6 A 7 +ATOM 67 H H . MET A 1 6 ? -7.124 6.74 -11.695 1.0 2.32 ? 6 A 7 +ATOM 68 H HA . MET A 1 6 ? -8.338 8.316 -9.535 1.0 5.22 ? 6 A 7 +ATOM 69 H HB2 . MET A 1 6 ? -8.233 10.335 -10.936 1.0 62.43 ? 6 A 7 +ATOM 70 H HB3 . MET A 1 6 ? -6.63 9.725 -10.551 1.0 63.34 ? 6 A 7 +ATOM 71 H HG2 . MET A 1 6 ? -7.639 8.623 -13.029 1.0 33.13 ? 6 A 7 +ATOM 72 H HG3 . MET A 1 6 ? -7.597 10.385 -13.053 1.0 12.41 ? 6 A 7 +ATOM 73 H HE1 . MET A 1 6 ? -5.74 11.408 -11.568 1.0 12.23 ? 6 A 7 +ATOM 74 H HE2 . MET A 1 6 ? -4.14 10.709 -11.313 1.0 52.54 ? 6 A 7 +ATOM 75 H HE3 . MET A 1 6 ? -4.474 11.636 -12.776 1.0 2.41 ? 6 A 7 +ATOM 76 N N . GLN A 1 7 ? -10.407 8.911 -11.18 1.0 13.12 ? 7 A 7 +ATOM 77 C CA . GLN A 1 7 ? -11.716 8.783 -11.809 1.0 13.2 ? 7 A 7 +ATOM 78 C C . GLN A 1 7 ? -12.157 10.108 -12.422 1.0 42.42 ? 7 A 7 +ATOM 79 O O . GLN A 1 7 ? -11.703 11.176 -12.009 1.0 71.33 ? 7 A 7 +ATOM 80 C CB . GLN A 1 7 ? -12.752 8.311 -10.787 1.0 42.01 ? 7 A 7 +ATOM 81 C CG . GLN A 1 7 ? -12.248 7.201 -9.878 1.0 12.34 ? 7 A 7 +ATOM 82 C CD . GLN A 1 7 ? -11.771 7.718 -8.535 1.0 44.31 ? 7 A 7 +ATOM 83 O OE1 . GLN A 1 7 ? -11.653 8.926 -8.328 1.0 33.44 ? 7 A 7 +ATOM 84 N NE2 . GLN A 1 7 ? -11.493 6.803 -7.613 1.0 73.32 ? 7 A 7 +ATOM 85 H H . GLN A 1 7 ? -10.206 9.712 -10.652 1.0 71.21 ? 7 A 7 +ATOM 86 H HA . GLN A 1 7 ? -11.636 8.047 -12.593 1.0 62.03 ? 7 A 7 +ATOM 87 H HB2 . GLN A 1 7 ? -13.04 9.149 -10.17 1.0 13.25 ? 7 A 7 +ATOM 88 H HB3 . GLN A 1 7 ? -13.621 7.947 -11.315 1.0 41.42 ? 7 A 7 +ATOM 89 H HG2 . GLN A 1 7 ? -13.05 6.498 -9.711 1.0 43.33 ? 7 A 7 +ATOM 90 H HG3 . GLN A 1 7 ? -11.426 6.699 -10.367 1.0 33.21 ? 7 A 7 +ATOM 91 H HE21 . GLN A 1 7 ? -11.61 5.859 -7.85 1.0 52.01 ? 7 A 7 +ATOM 92 H HE22 . GLN A 1 7 ? -11.182 7.109 -6.737 1.0 55.43 ? 7 A 7 +ATOM 93 N N . ILE A 1 8 ? -13.043 10.032 -13.409 1.0 12.12 ? 8 A 7 +ATOM 94 C CA . ILE A 1 8 ? -13.546 11.225 -14.078 1.0 64.2 ? 8 A 7 +ATOM 95 C C . ILE A 1 8 ? -15.07 11.233 -14.117 1.0 0.33 ? 8 A 7 +ATOM 96 O O . ILE A 1 8 ? -15.711 10.191 -13.974 1.0 11.35 ? 8 A 7 +ATOM 97 C CB . ILE A 1 8 ? -13.007 11.333 -15.517 1.0 65.34 ? 8 A 7 +ATOM 98 C CG1 . ILE A 1 8 ? -12.09 10.149 -15.831 1.0 72.33 ? 8 A 7 +ATOM 99 C CG2 . ILE A 1 8 ? -12.266 12.648 -15.708 1.0 55.24 ? 8 A 7 +ATOM 100 C CD1 . ILE A 1 8 ? -11.677 10.073 -17.284 1.0 11.02 ? 8 A 7 +ATOM 101 H H . ILE A 1 8 ? -13.367 9.152 -13.693 1.0 43.45 ? 8 A 7 +ATOM 102 H HA . ILE A 1 8 ? -13.206 12.087 -13.522 1.0 41.41 ? 8 A 7 +ATOM 103 H HB . ILE A 1 8 ? -13.846 11.319 -16.194 1.0 13.24 ? 8 A 7 +ATOM 104 H HG12 . ILE A 1 8 ? -11.194 10.227 -15.236 1.0 4.11 ? 8 A 7 +ATOM 105 H HG13 . ILE A 1 8 ? -12.603 9.231 -15.583 1.0 33.41 ? 8 A 7 +ATOM 106 H HG21 . ILE A 1 8 ? -11.753 12.908 -14.793 1.0 12.11 ? 8 A 7 +ATOM 107 H HG22 . ILE A 1 8 ? -11.546 12.543 -16.505 1.0 14.43 ? 8 A 7 +ATOM 108 H HG23 . ILE A 1 8 ? -12.972 13.426 -15.959 1.0 53.13 ? 8 A 7 +ATOM 109 H HD11 . ILE A 1 8 ? -12.249 9.303 -17.781 1.0 4.51 ? 8 A 7 +ATOM 110 H HD12 . ILE A 1 8 ? -11.865 11.024 -17.762 1.0 22.53 ? 8 A 7 +ATOM 111 H HD13 . ILE A 1 8 ? -10.625 9.839 -17.349 1.0 32.23 ? 8 A 7 +ATOM 112 N N . PHE A 1 9 ? -15.645 12.415 -14.312 1.0 44.42 ? 9 A 7 +ATOM 113 C CA . PHE A 1 9 ? -17.095 12.559 -14.37 1.0 45.42 ? 9 A 7 +ATOM 114 C C . PHE A 1 9 ? -17.542 13.009 -15.758 1.0 62.05 ? 9 A 7 +ATOM 115 O O . PHE A 1 9 ? -17.065 14.017 -16.28 1.0 33.13 ? 9 A 7 +ATOM 116 C CB . PHE A 1 9 ? -17.572 13.564 -13.319 1.0 42.3 ? 9 A 7 +ATOM 117 C CG . PHE A 1 9 ? -17.571 13.014 -11.921 1.0 44.44 ? 9 A 7 +ATOM 118 C CD1 . PHE A 1 9 ? -16.384 12.864 -11.222 1.0 24.21 ? 9 A 7 +ATOM 119 C CD2 . PHE A 1 9 ? -18.758 12.648 -11.306 1.0 24.11 ? 9 A 7 +ATOM 120 C CE1 . PHE A 1 9 ? -16.38 12.359 -9.935 1.0 54.33 ? 9 A 7 +ATOM 121 C CE2 . PHE A 1 9 ? -18.76 12.143 -10.019 1.0 62.43 ? 9 A 7 +ATOM 122 C CZ . PHE A 1 9 ? -17.57 11.997 -9.334 1.0 72.21 ? 9 A 7 +ATOM 123 H H . PHE A 1 9 ? -15.081 13.21 -14.418 1.0 15.35 ? 9 A 7 +ATOM 124 H HA . PHE A 1 9 ? -17.532 11.596 -14.159 1.0 72.15 ? 9 A 7 +ATOM 125 H HB2 . PHE A 1 9 ? -16.923 14.427 -13.336 1.0 13.22 ? 9 A 7 +ATOM 126 H HB3 . PHE A 1 9 ? -18.579 13.871 -13.556 1.0 20.44 ? 9 A 7 +ATOM 127 H HD1 . PHE A 1 9 ? -15.453 13.146 -11.692 1.0 63.23 ? 9 A 7 +ATOM 128 H HD2 . PHE A 1 9 ? -19.689 12.76 -11.841 1.0 43.5 ? 9 A 7 +ATOM 129 H HE1 . PHE A 1 9 ? -15.448 12.246 -9.402 1.0 53.21 ? 9 A 7 +ATOM 130 H HE2 . PHE A 1 9 ? -19.691 11.86 -9.551 1.0 61.25 ? 9 A 7 +ATOM 131 H HZ . PHE A 1 9 ? -17.569 11.603 -8.328 1.0 11.33 ? 9 A 7 +ATOM 132 N N . VAL A 1 10 ? -18.46 12.252 -16.352 1.0 35.51 ? 10 A 7 +ATOM 133 C CA . VAL A 1 10 ? -18.972 12.572 -17.679 1.0 51.35 ? 10 A 7 +ATOM 134 C C . VAL A 1 10 ? -20.449 12.942 -17.623 1.0 20.3 ? 10 A 7 +ATOM 135 O O . VAL A 1 10 ? -21.254 12.244 -17.006 1.0 33.54 ? 10 A 7 +ATOM 136 C CB . VAL A 1 10 ? -18.786 11.391 -18.651 1.0 1.24 ? 10 A 7 +ATOM 137 C CG1 . VAL A 1 10 ? -18.466 11.896 -20.05 1.0 43.55 ? 10 A 7 +ATOM 138 C CG2 . VAL A 1 10 ? -17.696 10.456 -18.15 1.0 70.41 ? 10 A 7 +ATOM 139 H H . VAL A 1 10 ? -18.801 11.461 -15.885 1.0 13.11 ? 10 A 7 +ATOM 140 H HA . VAL A 1 10 ? -18.413 13.415 -18.059 1.0 52.2 ? 10 A 7 +ATOM 141 H HB . VAL A 1 10 ? -19.713 10.839 -18.696 1.0 21.21 ? 10 A 7 +ATOM 142 H HG11 . VAL A 1 10 ? -17.394 11.971 -20.168 1.0 75.22 ? 10 A 7 +ATOM 143 H HG12 . VAL A 1 10 ? -18.863 11.208 -20.781 1.0 54.41 ? 10 A 7 +ATOM 144 H HG13 . VAL A 1 10 ? -18.911 12.87 -20.191 1.0 61.31 ? 10 A 7 +ATOM 145 H HG21 . VAL A 1 10 ? -16.868 11.036 -17.773 1.0 13.24 ? 10 A 7 +ATOM 146 H HG22 . VAL A 1 10 ? -18.091 9.835 -17.36 1.0 62.44 ? 10 A 7 +ATOM 147 H HG23 . VAL A 1 10 ? -17.356 9.831 -18.963 1.0 2.35 ? 10 A 7 +ATOM 148 N N . LYS A 1 11 ? -20.801 14.047 -18.273 1.0 23.3 ? 11 A 7 +ATOM 149 C CA . LYS A 1 11 ? -22.183 14.511 -18.301 1.0 10.31 ? 11 A 7 +ATOM 150 C C . LYS A 1 11 ? -22.799 14.305 -19.68 1.0 22.12 ? 11 A 7 +ATOM 151 O O . LYS A 1 11 ? -22.4 14.945 -20.653 1.0 63.21 ? 11 A 7 +ATOM 152 C CB . LYS A 1 11 ? -22.253 15.991 -17.915 1.0 34.41 ? 11 A 7 +ATOM 153 C CG . LYS A 1 11 ? -23.631 16.603 -18.1 1.0 63.11 ? 11 A 7 +ATOM 154 C CD . LYS A 1 11 ? -23.564 17.9 -18.888 1.0 3.15 ? 11 A 7 +ATOM 155 C CE . LYS A 1 11 ? -23.362 17.64 -20.373 1.0 2.52 ? 11 A 7 +ATOM 156 N NZ . LYS A 1 11 ? -23.796 18.798 -21.202 1.0 51.12 ? 11 A 7 +ATOM 157 H H . LYS A 1 11 ? -20.115 14.561 -18.747 1.0 4.15 ? 11 A 7 +ATOM 158 H HA . LYS A 1 11 ? -22.742 13.934 -17.58 1.0 44.21 ? 11 A 7 +ATOM 159 H HB2 . LYS A 1 11 ? -21.972 16.094 -16.878 1.0 75.01 ? 11 A 7 +ATOM 160 H HB3 . LYS A 1 11 ? -21.553 16.543 -18.526 1.0 15.43 ? 11 A 7 +ATOM 161 H HG2 . LYS A 1 11 ? -24.258 15.903 -18.632 1.0 73.24 ? 11 A 7 +ATOM 162 H HG3 . LYS A 1 11 ? -24.058 16.804 -17.127 1.0 30.03 ? 11 A 7 +ATOM 163 H HD2 . LYS A 1 11 ? -24.488 18.442 -18.751 1.0 63.51 ? 11 A 7 +ATOM 164 H HD3 . LYS A 1 11 ? -22.738 18.493 -18.519 1.0 61.22 ? 11 A 7 +ATOM 165 H HE2 . LYS A 1 11 ? -22.315 17.452 -20.553 1.0 70.24 ? 11 A 7 +ATOM 166 H HE3 . LYS A 1 11 ? -23.938 16.771 -20.654 1.0 3.13 ? 11 A 7 +ATOM 167 H HZ1 . LYS A 1 11 ? -23.755 19.674 -20.643 1.0 1.34 ? 11 A 7 +ATOM 168 H HZ2 . LYS A 1 11 ? -24.772 18.656 -21.532 1.0 61.44 ? 11 A 7 +ATOM 169 H HZ3 . LYS A 1 11 ? -23.174 18.898 -22.03 1.0 12.11 ? 11 A 7 +ATOM 170 N N . THR A 1 12 ? -23.777 13.407 -19.759 1.0 60.33 ? 12 A 7 +ATOM 171 C CA . THR A 1 12 ? -24.449 13.116 -21.019 1.0 63.11 ? 12 A 7 +ATOM 172 C C . THR A 1 12 ? -25.405 14.239 -21.404 1.0 63.2 ? 12 A 7 +ATOM 173 O O . THR A 1 12 ? -25.859 15.002 -20.55 1.0 23.14 ? 12 A 7 +ATOM 174 C CB . THR A 1 12 ? -25.232 11.792 -20.946 1.0 13.53 ? 12 A 7 +ATOM 175 O OG1 . THR A 1 12 ? -26.378 11.947 -20.102 1.0 44.22 ? 12 A 7 +ATOM 176 C CG2 . THR A 1 12 ? -24.352 10.671 -20.414 1.0 44.25 ? 12 A 7 +ATOM 177 H H . THR A 1 12 ? -24.051 12.929 -18.949 1.0 50.31 ? 12 A 7 +ATOM 178 H HA . THR A 1 12 ? -23.693 13.022 -21.786 1.0 15.31 ? 12 A 7 +ATOM 179 H HB . THR A 1 12 ? -25.561 11.53 -21.942 1.0 3.11 ? 12 A 7 +ATOM 180 H HG1 . THR A 1 12 ? -26.092 12.112 -19.2 1.0 54.01 ? 12 A 7 +ATOM 181 H HG21 . THR A 1 12 ? -23.344 10.804 -20.776 1.0 54.24 ? 12 A 7 +ATOM 182 H HG22 . THR A 1 12 ? -24.735 9.721 -20.755 1.0 51.32 ? 12 A 7 +ATOM 183 H HG23 . THR A 1 12 ? -24.353 10.694 -19.334 1.0 74.05 ? 12 A 7 +ATOM 184 N N . LEU A 1 13 ? -25.709 14.336 -22.694 1.0 74.21 ? 13 A 7 +ATOM 185 C CA . LEU A 1 13 ? -26.613 15.366 -23.192 1.0 74.52 ? 13 A 7 +ATOM 186 C C . LEU A 1 13 ? -28.002 15.213 -22.58 1.0 25.21 ? 13 A 7 +ATOM 187 O O . LEU A 1 13 ? -28.815 16.138 -22.618 1.0 11.35 ? 13 A 7 +ATOM 188 C CB . LEU A 1 13 ? -26.705 15.297 -24.717 1.0 31.51 ? 13 A 7 +ATOM 189 C CG . LEU A 1 13 ? -27.244 16.547 -25.414 1.0 30.32 ? 13 A 7 +ATOM 190 C CD1 . LEU A 1 13 ? -26.255 17.696 -25.289 1.0 44.31 ? 13 A 7 +ATOM 191 C CD2 . LEU A 1 13 ? -27.542 16.255 -26.877 1.0 64.01 ? 13 A 7 +ATOM 192 H H . LEU A 1 13 ? -25.316 13.699 -23.327 1.0 42.02 ? 13 A 7 +ATOM 193 H HA . LEU A 1 13 ? -26.211 16.326 -22.906 1.0 34.1 ? 13 A 7 +ATOM 194 H HB2 . LEU A 1 13 ? -25.714 15.107 -25.1 1.0 62.11 ? 13 A 7 +ATOM 195 H HB3 . LEU A 1 13 ? -27.352 14.47 -24.972 1.0 43.21 ? 13 A 7 +ATOM 196 H HG . LEU A 1 13 ? -28.166 16.848 -24.937 1.0 45.4 ? 13 A 7 +ATOM 197 H HD11 . LEU A 1 13 ? -25.907 17.98 -26.271 1.0 62.23 ? 13 A 7 +ATOM 198 H HD12 . LEU A 1 13 ? -25.415 17.384 -24.685 1.0 23.44 ? 13 A 7 +ATOM 199 H HD13 . LEU A 1 13 ? -26.741 18.54 -24.821 1.0 25.55 ? 13 A 7 +ATOM 200 H HD21 . LEU A 1 13 ? -28.457 16.752 -27.164 1.0 62.14 ? 13 A 7 +ATOM 201 H HD22 . LEU A 1 13 ? -27.652 15.19 -27.016 1.0 41.34 ? 13 A 7 +ATOM 202 H HD23 . LEU A 1 13 ? -26.728 16.616 -27.49 1.0 51.42 ? 13 A 7 +ATOM 203 N N . THR A 1 14 ? -28.268 14.04 -22.014 1.0 31.41 ? 14 A 7 +ATOM 204 C CA . THR A 1 14 ? -29.558 13.766 -21.393 1.0 30.33 ? 14 A 7 +ATOM 205 C C . THR A 1 14 ? -29.6 14.287 -19.961 1.0 22.13 ? 14 A 7 +ATOM 206 O O . THR A 1 14 ? -30.643 14.254 -19.309 1.0 5.31 ? 14 A 7 +ATOM 207 C CB . THR A 1 14 ? -29.871 12.258 -21.389 1.0 34.54 ? 14 A 7 +ATOM 208 O OG1 . THR A 1 14 ? -29.033 11.587 -20.442 1.0 3.22 ? 14 A 7 +ATOM 209 C CG2 . THR A 1 14 ? -29.663 11.659 -22.772 1.0 34.11 ? 14 A 7 +ATOM 210 H H . THR A 1 14 ? -27.58 13.343 -22.016 1.0 2.31 ? 14 A 7 +ATOM 211 H HA . THR A 1 14 ? -30.32 14.269 -21.971 1.0 25.44 ? 14 A 7 +ATOM 212 H HB . THR A 1 14 ? -30.905 12.121 -21.105 1.0 55.24 ? 14 A 7 +ATOM 213 H HG1 . THR A 1 14 ? -29.301 10.667 -20.372 1.0 24.42 ? 14 A 7 +ATOM 214 H HG21 . THR A 1 14 ? -30.246 10.754 -22.863 1.0 1.02 ? 14 A 7 +ATOM 215 H HG22 . THR A 1 14 ? -28.617 11.428 -22.911 1.0 12.23 ? 14 A 7 +ATOM 216 H HG23 . THR A 1 14 ? -29.978 12.368 -23.523 1.0 12.42 ? 14 A 7 +ATOM 217 N N . GLY A 1 15 ? -28.459 14.767 -19.477 1.0 61.2 ? 15 A 7 +ATOM 218 C CA . GLY A 1 15 ? -28.387 15.288 -18.124 1.0 25.44 ? 15 A 7 +ATOM 219 C C . GLY A 1 15 ? -28.157 14.199 -17.095 1.0 2.34 ? 15 A 7 +ATOM 220 O O . GLY A 1 15 ? -28.999 13.966 -16.227 1.0 24.03 ? 15 A 7 +ATOM 221 H H . GLY A 1 15 ? -27.658 14.767 -20.043 1.0 73.22 ? 15 A 7 +ATOM 222 H HA2 . GLY A 1 15 ? -27.578 16.0 -18.067 1.0 10.15 ? 15 A 7 +ATOM 223 H HA3 . GLY A 1 15 ? -29.315 15.792 -17.896 1.0 23.53 ? 15 A 7 +ATOM 224 N N . LYS A 1 16 ? -27.015 13.527 -17.192 1.0 11.21 ? 16 A 7 +ATOM 225 C CA . LYS A 1 16 ? -26.675 12.456 -16.263 1.0 34.13 ? 16 A 7 +ATOM 226 C C . LYS A 1 16 ? -25.181 12.457 -15.954 1.0 15.24 ? 16 A 7 +ATOM 227 O O . LYS A 1 16 ? -24.349 12.498 -16.86 1.0 50.04 ? 16 A 7 +ATOM 228 C CB . LYS A 1 16 ? -27.086 11.101 -16.842 1.0 31.42 ? 16 A 7 +ATOM 229 C CG . LYS A 1 16 ? -27.399 10.057 -15.785 1.0 73.35 ? 16 A 7 +ATOM 230 C CD . LYS A 1 16 ? -26.156 9.278 -15.385 1.0 50.3 ? 16 A 7 +ATOM 231 C CE . LYS A 1 16 ? -25.653 8.408 -16.526 1.0 52.44 ? 16 A 7 +ATOM 232 N NZ . LYS A 1 16 ? -25.985 6.971 -16.316 1.0 2.53 ? 16 A 7 +ATOM 233 H H . LYS A 1 16 ? -26.384 13.759 -17.906 1.0 52.54 ? 16 A 7 +ATOM 234 H HA . LYS A 1 16 ? -27.22 12.627 -15.347 1.0 34.34 ? 16 A 7 +ATOM 235 H HB2 . LYS A 1 16 ? -27.964 11.237 -17.456 1.0 44.24 ? 16 A 7 +ATOM 236 H HB3 . LYS A 1 16 ? -26.281 10.728 -17.459 1.0 12.13 ? 16 A 7 +ATOM 237 H HG2 . LYS A 1 16 ? -27.798 10.55 -14.911 1.0 3.41 ? 16 A 7 +ATOM 238 H HG3 . LYS A 1 16 ? -28.133 9.368 -16.178 1.0 74.14 ? 16 A 7 +ATOM 239 H HD2 . LYS A 1 16 ? -25.379 9.975 -15.109 1.0 63.23 ? 16 A 7 +ATOM 240 H HD3 . LYS A 1 16 ? -26.394 8.648 -14.54 1.0 14.51 ? 16 A 7 +ATOM 241 H HE2 . LYS A 1 16 ? -26.108 8.743 -17.445 1.0 44.12 ? 16 A 7 +ATOM 242 H HE3 . LYS A 1 16 ? -24.58 8.514 -16.596 1.0 75.31 ? 16 A 7 +ATOM 243 H HZ1 . LYS A 1 16 ? -26.147 6.504 -17.231 1.0 61.55 ? 16 A 7 +ATOM 244 H HZ2 . LYS A 1 16 ? -26.845 6.885 -15.738 1.0 23.15 ? 16 A 7 +ATOM 245 H HZ3 . LYS A 1 16 ? -25.203 6.491 -15.827 1.0 43.23 ? 16 A 7 +ATOM 246 N N . THR A 1 17 ? -24.847 12.411 -14.668 1.0 33.03 ? 17 A 7 +ATOM 247 C CA . THR A 1 17 ? -23.454 12.406 -14.239 1.0 61.21 ? 17 A 7 +ATOM 248 C C . THR A 1 17 ? -22.97 10.988 -13.958 1.0 13.11 ? 17 A 7 +ATOM 249 O O . THR A 1 17 ? -23.497 10.305 -13.08 1.0 32.24 ? 17 A 7 +ATOM 250 C CB . THR A 1 17 ? -23.252 13.265 -12.977 1.0 22.54 ? 17 A 7 +ATOM 251 O OG1 . THR A 1 17 ? -24.483 13.372 -12.254 1.0 24.32 ? 17 A 7 +ATOM 252 C CG2 . THR A 1 17 ? -22.75 14.654 -13.342 1.0 72.42 ? 17 A 7 +ATOM 253 H H . THR A 1 17 ? -25.556 12.38 -13.992 1.0 63.53 ? 17 A 7 +ATOM 254 H HA . THR A 1 17 ? -22.859 12.828 -15.036 1.0 15.15 ? 17 A 7 +ATOM 255 H HB . THR A 1 17 ? -22.514 12.786 -12.349 1.0 61.22 ? 17 A 7 +ATOM 256 H HG1 . THR A 1 17 ? -24.305 13.34 -11.311 1.0 54.0 ? 17 A 7 +ATOM 257 H HG21 . THR A 1 17 ? -23.268 15.391 -12.747 1.0 31.34 ? 17 A 7 +ATOM 258 H HG22 . THR A 1 17 ? -22.939 14.841 -14.389 1.0 12.24 ? 17 A 7 +ATOM 259 H HG23 . THR A 1 17 ? -21.69 14.716 -13.15 1.0 74.01 ? 17 A 7 +ATOM 260 N N . ILE A 1 18 ? -21.964 10.552 -14.709 1.0 21.15 ? 18 A 7 +ATOM 261 C CA . ILE A 1 18 ? -21.409 9.215 -14.539 1.0 42.23 ? 18 A 7 +ATOM 262 C C . ILE A 1 18 ? -19.939 9.278 -14.136 1.0 2.02 ? 18 A 7 +ATOM 263 O O . ILE A 1 18 ? -19.178 10.099 -14.648 1.0 34.24 ? 18 A 7 +ATOM 264 C CB . ILE A 1 18 ? -21.542 8.382 -15.827 1.0 20.13 ? 18 A 7 +ATOM 265 C CG1 . ILE A 1 18 ? -20.646 7.144 -15.754 1.0 0.43 ? 18 A 7 +ATOM 266 C CG2 . ILE A 1 18 ? -21.189 9.226 -17.042 1.0 34.34 ? 18 A 7 +ATOM 267 C CD1 . ILE A 1 18 ? -20.909 6.142 -16.856 1.0 41.12 ? 18 A 7 +ATOM 268 H H . ILE A 1 18 ? -21.587 11.143 -15.393 1.0 72.35 ? 18 A 7 +ATOM 269 H HA . ILE A 1 18 ? -21.965 8.721 -13.755 1.0 33.1 ? 18 A 7 +ATOM 270 H HB . ILE A 1 18 ? -22.57 8.068 -15.922 1.0 55.23 ? 18 A 7 +ATOM 271 H HG12 . ILE A 1 18 ? -19.614 7.449 -15.823 1.0 35.45 ? 18 A 7 +ATOM 272 H HG13 . ILE A 1 18 ? -20.807 6.647 -14.808 1.0 15.51 ? 18 A 7 +ATOM 273 H HG21 . ILE A 1 18 ? -21.878 10.054 -17.117 1.0 31.24 ? 18 A 7 +ATOM 274 H HG22 . ILE A 1 18 ? -20.184 9.604 -16.938 1.0 60.32 ? 18 A 7 +ATOM 275 H HG23 . ILE A 1 18 ? -21.256 8.62 -17.934 1.0 71.44 ? 18 A 7 +ATOM 276 H HD11 . ILE A 1 18 ? -21.303 6.654 -17.722 1.0 32.31 ? 18 A 7 +ATOM 277 H HD12 . ILE A 1 18 ? -19.986 5.647 -17.121 1.0 60.24 ? 18 A 7 +ATOM 278 H HD13 . ILE A 1 18 ? -21.625 5.41 -16.515 1.0 25.35 ? 18 A 7 +ATOM 279 N N . THR A 1 19 ? -19.545 8.403 -13.216 1.0 42.32 ? 19 A 7 +ATOM 280 C CA . THR A 1 19 ? -18.167 8.358 -12.745 1.0 41.24 ? 19 A 7 +ATOM 281 C C . THR A 1 19 ? -17.459 7.1 -13.236 1.0 70.21 ? 19 A 7 +ATOM 282 O O . THR A 1 19 ? -18.036 6.013 -13.238 1.0 44.42 ? 19 A 7 +ATOM 283 C CB . THR A 1 19 ? -18.097 8.406 -11.207 1.0 2.4 ? 19 A 7 +ATOM 284 O OG1 . THR A 1 19 ? -19.204 9.152 -10.689 1.0 22.32 ? 19 A 7 +ATOM 285 C CG2 . THR A 1 19 ? -16.792 9.036 -10.744 1.0 13.14 ? 19 A 7 +ATOM 286 H H . THR A 1 19 ? -20.199 7.774 -12.846 1.0 1.15 ? 19 A 7 +ATOM 287 H HA . THR A 1 19 ? -17.652 9.225 -13.135 1.0 65.43 ? 19 A 7 +ATOM 288 H HB . THR A 1 19 ? -18.145 7.395 -10.828 1.0 44.24 ? 19 A 7 +ATOM 289 H HG1 . THR A 1 19 ? -19.192 9.118 -9.729 1.0 60.25 ? 19 A 7 +ATOM 290 H HG21 . THR A 1 19 ? -15.979 8.347 -10.913 1.0 73.33 ? 19 A 7 +ATOM 291 H HG22 . THR A 1 19 ? -16.857 9.264 -9.69 1.0 23.45 ? 19 A 7 +ATOM 292 H HG23 . THR A 1 19 ? -16.615 9.946 -11.299 1.0 51.03 ? 19 A 7 +ATOM 293 N N . ILE A 1 20 ? -16.206 7.256 -13.65 1.0 2.13 ? 20 A 7 +ATOM 294 C CA . ILE A 1 20 ? -15.419 6.132 -14.142 1.0 23.24 ? 20 A 7 +ATOM 295 C C . ILE A 1 20 ? -13.962 6.25 -13.71 1.0 21.51 ? 20 A 7 +ATOM 296 O O . ILE A 1 20 ? -13.343 7.304 -13.859 1.0 3.54 ? 20 A 7 +ATOM 297 C CB . ILE A 1 20 ? -15.481 6.029 -15.677 1.0 55.55 ? 20 A 7 +ATOM 298 C CG1 . ILE A 1 20 ? -15.547 7.425 -16.301 1.0 1.5 ? 20 A 7 +ATOM 299 C CG2 . ILE A 1 20 ? -16.68 5.195 -16.104 1.0 1.32 ? 20 A 7 +ATOM 300 C CD1 . ILE A 1 20 ? -14.872 7.516 -17.651 1.0 2.4 ? 20 A 7 +ATOM 301 H H . ILE A 1 20 ? -15.801 8.148 -13.624 1.0 32.52 ? 20 A 7 +ATOM 302 H HA . ILE A 1 20 ? -15.835 5.226 -13.723 1.0 40.32 ? 20 A 7 +ATOM 303 H HB . ILE A 1 20 ? -14.587 5.532 -16.019 1.0 75.22 ? 20 A 7 +ATOM 304 H HG12 . ILE A 1 20 ? -16.58 7.708 -16.427 1.0 4.24 ? 20 A 7 +ATOM 305 H HG13 . ILE A 1 20 ? -15.064 8.13 -15.639 1.0 20.02 ? 20 A 7 +ATOM 306 H HG21 . ILE A 1 20 ? -17.565 5.815 -16.113 1.0 41.11 ? 20 A 7 +ATOM 307 H HG22 . ILE A 1 20 ? -16.508 4.8 -17.094 1.0 51.34 ? 20 A 7 +ATOM 308 H HG23 . ILE A 1 20 ? -16.818 4.381 -15.41 1.0 74.34 ? 20 A 7 +ATOM 309 H HD11 . ILE A 1 20 ? -13.803 7.591 -17.515 1.0 44.23 ? 20 A 7 +ATOM 310 H HD12 . ILE A 1 20 ? -15.098 6.631 -18.228 1.0 43.31 ? 20 A 7 +ATOM 311 H HD13 . ILE A 1 20 ? -15.229 8.389 -18.175 1.0 23.14 ? 20 A 7 +ATOM 312 N N . ASP A 1 21 ? -13.419 5.162 -13.175 1.0 44.41 ? 21 A 7 +ATOM 313 C CA . ASP A 1 21 ? -12.032 5.142 -12.724 1.0 13.43 ? 21 A 7 +ATOM 314 C C . ASP A 1 21 ? -11.087 4.845 -13.884 1.0 74.52 ? 21 A 7 +ATOM 315 O O . ASP A 1 21 ? -11.178 3.793 -14.518 1.0 3.25 ? 21 A 7 +ATOM 316 C CB . ASP A 1 21 ? -11.847 4.1 -11.62 1.0 40.32 ? 21 A 7 +ATOM 317 C CG . ASP A 1 21 ? -12.287 2.715 -12.051 1.0 70.32 ? 21 A 7 +ATOM 318 O OD1 . ASP A 1 21 ? -13.481 2.392 -11.879 1.0 34.41 ? 21 A 7 +ATOM 319 O OD2 . ASP A 1 21 ? -11.438 1.954 -12.56 1.0 4.34 ? 21 A 7 +ATOM 320 H H . ASP A 1 21 ? -13.963 4.352 -13.083 1.0 61.24 ? 21 A 7 +ATOM 321 H HA . ASP A 1 21 ? -11.798 6.119 -12.328 1.0 0.1 ? 21 A 7 +ATOM 322 H HB2 . ASP A 1 21 ? -10.803 4.057 -11.345 1.0 73.15 ? 21 A 7 +ATOM 323 H HB3 . ASP A 1 21 ? -12.43 4.392 -10.758 1.0 61.23 ? 21 A 7 +ATOM 324 N N . VAL A 1 22 ? -10.181 5.778 -14.157 1.0 30.34 ? 22 A 7 +ATOM 325 C CA . VAL A 1 22 ? -9.219 5.616 -15.241 1.0 1.34 ? 22 A 7 +ATOM 326 C C . VAL A 1 22 ? -7.795 5.848 -14.751 1.0 61.2 ? 22 A 7 +ATOM 327 O O . VAL A 1 22 ? -7.58 6.435 -13.69 1.0 34.03 ? 22 A 7 +ATOM 328 C CB . VAL A 1 22 ? -9.514 6.584 -16.403 1.0 60.13 ? 22 A 7 +ATOM 329 C CG1 . VAL A 1 22 ? -10.954 7.07 -16.34 1.0 14.0 ? 22 A 7 +ATOM 330 C CG2 . VAL A 1 22 ? -8.545 7.756 -16.378 1.0 61.12 ? 22 A 7 +ATOM 331 H H . VAL A 1 22 ? -10.158 6.595 -13.616 1.0 71.0 ? 22 A 7 +ATOM 332 H HA . VAL A 1 22 ? -9.302 4.605 -15.613 1.0 41.13 ? 22 A 7 +ATOM 333 H HB . VAL A 1 22 ? -9.378 6.05 -17.332 1.0 23.42 ? 22 A 7 +ATOM 334 H HG11 . VAL A 1 22 ? -11.055 7.791 -15.542 1.0 3.13 ? 22 A 7 +ATOM 335 H HG12 . VAL A 1 22 ? -11.22 7.532 -17.279 1.0 11.12 ? 22 A 7 +ATOM 336 H HG13 . VAL A 1 22 ? -11.609 6.232 -16.152 1.0 2.3 ? 22 A 7 +ATOM 337 H HG21 . VAL A 1 22 ? -8.494 8.161 -15.379 1.0 43.3 ? 22 A 7 +ATOM 338 H HG22 . VAL A 1 22 ? -7.565 7.418 -16.681 1.0 71.52 ? 22 A 7 +ATOM 339 H HG23 . VAL A 1 22 ? -8.888 8.521 -17.059 1.0 24.41 ? 22 A 7 +ATOM 340 N N . ASP A 1 23 ? -6.824 5.383 -15.53 1.0 73.14 ? 23 A 7 +ATOM 341 C CA . ASP A 1 23 ? -5.418 5.541 -15.176 1.0 0.33 ? 23 A 7 +ATOM 342 C C . ASP A 1 23 ? -4.685 6.376 -16.221 1.0 62.12 ? 23 A 7 +ATOM 343 O O . ASP A 1 23 ? -5.157 6.533 -17.347 1.0 35.34 ? 23 A 7 +ATOM 344 C CB . ASP A 1 23 ? -4.748 4.172 -15.037 1.0 24.44 ? 23 A 7 +ATOM 345 C CG . ASP A 1 23 ? -3.698 4.15 -13.944 1.0 11.25 ? 23 A 7 +ATOM 346 O OD1 . ASP A 1 23 ? -2.806 5.024 -13.961 1.0 71.52 ? 23 A 7 +ATOM 347 O OD2 . ASP A 1 23 ? -3.767 3.258 -13.072 1.0 54.12 ? 23 A 7 +ATOM 348 H H . ASP A 1 23 ? -7.059 4.923 -16.363 1.0 71.31 ? 23 A 7 +ATOM 349 H HA . ASP A 1 23 ? -5.37 6.052 -14.226 1.0 62.03 ? 23 A 7 +ATOM 350 H HB2 . ASP A 1 23 ? -5.5 3.433 -14.803 1.0 75.32 ? 23 A 7 +ATOM 351 H HB3 . ASP A 1 23 ? -4.275 3.914 -15.973 1.0 32.1 ? 23 A 7 +ATOM 352 N N . HIS A 1 24 ? -3.529 6.91 -15.839 1.0 3.42 ? 24 A 7 +ATOM 353 C CA . HIS A 1 24 ? -2.731 7.731 -16.744 1.0 64.1 ? 24 A 7 +ATOM 354 C C . HIS A 1 24 ? -2.337 6.941 -17.988 1.0 13.22 ? 24 A 7 +ATOM 355 O O . HIS A 1 24 ? -1.948 7.518 -19.003 1.0 40.32 ? 24 A 7 +ATOM 356 C CB . HIS A 1 24 ? -1.478 8.24 -16.031 1.0 43.52 ? 24 A 7 +ATOM 357 C CG . HIS A 1 24 ? -0.655 7.152 -15.415 1.0 63.23 ? 24 A 7 +ATOM 358 N ND1 . HIS A 1 24 ? -0.431 7.054 -14.057 1.0 33.23 ? 24 A 7 +ATOM 359 C CD2 . HIS A 1 24 ? -0.001 6.109 -15.978 1.0 70.35 ? 24 A 7 +ATOM 360 C CE1 . HIS A 1 24 ? 0.326 6.0 -13.813 1.0 52.22 ? 24 A 7 +ATOM 361 N NE2 . HIS A 1 24 ? 0.6 5.408 -14.961 1.0 51.1 ? 24 A 7 +ATOM 362 H H . HIS A 1 24 ? -3.206 6.749 -14.929 1.0 35.01 ? 24 A 7 +ATOM 363 H HA . HIS A 1 24 ? -3.332 8.575 -17.044 1.0 52.33 ? 24 A 7 +ATOM 364 H HB2 . HIS A 1 24 ? -0.855 8.764 -16.742 1.0 74.33 ? 24 A 7 +ATOM 365 H HB3 . HIS A 1 24 ? -1.77 8.922 -15.246 1.0 2.24 ? 24 A 7 +ATOM 366 H HD1 . HIS A 1 24 ? -0.774 7.668 -13.375 1.0 61.24 ? 24 A 7 +ATOM 367 H HD2 . HIS A 1 24 ? 0.04 5.871 -17.032 1.0 14.35 ? 24 A 7 +ATOM 368 H HE1 . HIS A 1 24 ? 0.663 5.675 -12.84 1.0 73.24 ? 24 A 7 +ATOM 369 N N . ALA A 1 25 ? -2.441 5.619 -17.902 1.0 63.43 ? 25 A 7 +ATOM 370 C CA . ALA A 1 25 ? -2.097 4.751 -19.022 1.0 43.32 ? 25 A 7 +ATOM 371 C C . ALA A 1 25 ? -3.311 4.491 -19.908 1.0 33.54 ? 25 A 7 +ATOM 372 O O . ALA A 1 25 ? -3.249 3.691 -20.841 1.0 12.23 ? 25 A 7 +ATOM 373 C CB . ALA A 1 25 ? -1.521 3.438 -18.514 1.0 51.34 ? 25 A 7 +ATOM 374 H H . ALA A 1 25 ? -2.757 5.218 -17.066 1.0 55.41 ? 25 A 7 +ATOM 375 H HA . ALA A 1 25 ? -1.336 5.247 -19.607 1.0 23.12 ? 25 A 7 +ATOM 376 H HB1 . ALA A 1 25 ? -1.343 2.776 -19.349 1.0 42.21 ? 25 A 7 +ATOM 377 H HB2 . ALA A 1 25 ? -0.591 3.628 -18.0 1.0 3.14 ? 25 A 7 +ATOM 378 H HB3 . ALA A 1 25 ? -2.221 2.977 -17.833 1.0 44.44 ? 25 A 7 +ATOM 379 N N . ASP A 1 26 ? -4.412 5.171 -19.609 1.0 53.31 ? 26 A 7 +ATOM 380 C CA . ASP A 1 26 ? -5.64 5.014 -20.379 1.0 71.32 ? 26 A 7 +ATOM 381 C C . ASP A 1 26 ? -5.973 6.295 -21.138 1.0 31.24 ? 26 A 7 +ATOM 382 O O . ASP A 1 26 ? -6.165 7.353 -20.539 1.0 53.43 ? 26 A 7 +ATOM 383 C CB . ASP A 1 26 ? -6.801 4.637 -19.457 1.0 21.1 ? 26 A 7 +ATOM 384 C CG . ASP A 1 26 ? -6.58 3.307 -18.763 1.0 73.54 ? 26 A 7 +ATOM 385 O OD1 . ASP A 1 26 ? -6.587 2.268 -19.455 1.0 73.22 ? 26 A 7 +ATOM 386 O OD2 . ASP A 1 26 ? -6.4 3.305 -17.527 1.0 2.02 ? 26 A 7 +ATOM 387 H H . ASP A 1 26 ? -4.398 5.795 -18.853 1.0 73.33 ? 26 A 7 +ATOM 388 H HA . ASP A 1 26 ? -5.485 4.218 -21.092 1.0 35.3 ? 26 A 7 +ATOM 389 H HB2 . ASP A 1 26 ? -6.915 5.401 -18.702 1.0 71.15 ? 26 A 7 +ATOM 390 H HB3 . ASP A 1 26 ? -7.708 4.572 -20.039 1.0 51.4 ? 26 A 7 +ATOM 391 N N . THR A 1 27 ? -6.039 6.192 -22.462 1.0 11.22 ? 27 A 7 +ATOM 392 C CA . THR A 1 27 ? -6.347 7.341 -23.304 1.0 12.11 ? 27 A 7 +ATOM 393 C C . THR A 1 27 ? -7.85 7.579 -23.381 1.0 24.55 ? 27 A 7 +ATOM 394 O O . THR A 1 27 ? -8.645 6.744 -22.949 1.0 14.34 ? 27 A 7 +ATOM 395 C CB . THR A 1 27 ? -5.793 7.158 -24.729 1.0 24.42 ? 27 A 7 +ATOM 396 O OG1 . THR A 1 27 ? -5.862 5.778 -25.108 1.0 51.41 ? 27 A 7 +ATOM 397 C CG2 . THR A 1 27 ? -4.354 7.642 -24.818 1.0 72.22 ? 27 A 7 +ATOM 398 H H . THR A 1 27 ? -5.877 5.321 -22.881 1.0 1.33 ? 27 A 7 +ATOM 399 H HA . THR A 1 27 ? -5.876 8.21 -22.866 1.0 54.42 ? 27 A 7 +ATOM 400 H HB . THR A 1 27 ? -6.396 7.74 -25.411 1.0 51.23 ? 27 A 7 +ATOM 401 H HG1 . THR A 1 27 ? -5.909 5.71 -26.064 1.0 23.44 ? 27 A 7 +ATOM 402 H HG21 . THR A 1 27 ? -3.995 7.52 -25.829 1.0 20.21 ? 27 A 7 +ATOM 403 H HG22 . THR A 1 27 ? -3.738 7.064 -24.145 1.0 40.31 ? 27 A 7 +ATOM 404 H HG23 . THR A 1 27 ? -4.308 8.685 -24.542 1.0 53.14 ? 27 A 7 +ATOM 405 N N . VAL A 1 28 ? -8.236 8.725 -23.935 1.0 70.04 ? 28 A 7 +ATOM 406 C CA . VAL A 1 28 ? -9.645 9.072 -24.071 1.0 40.12 ? 28 A 7 +ATOM 407 C C . VAL A 1 28 ? -10.423 7.954 -24.755 1.0 43.3 ? 28 A 7 +ATOM 408 O O . VAL A 1 28 ? -11.491 7.553 -24.293 1.0 51.44 ? 28 A 7 +ATOM 409 C CB . VAL A 1 28 ? -9.827 10.374 -24.874 1.0 70.14 ? 28 A 7 +ATOM 410 C CG1 . VAL A 1 28 ? -11.221 10.944 -24.657 1.0 13.41 ? 28 A 7 +ATOM 411 C CG2 . VAL A 1 28 ? -8.761 11.389 -24.49 1.0 73.55 ? 28 A 7 +ATOM 412 H H . VAL A 1 28 ? -7.556 9.35 -24.261 1.0 50.23 ? 28 A 7 +ATOM 413 H HA . VAL A 1 28 ? -10.049 9.225 -23.081 1.0 62.42 ? 28 A 7 +ATOM 414 H HB . VAL A 1 28 ? -9.715 10.145 -25.923 1.0 52.41 ? 28 A 7 +ATOM 415 H HG11 . VAL A 1 28 ? -11.437 11.669 -25.429 1.0 72.32 ? 28 A 7 +ATOM 416 H HG12 . VAL A 1 28 ? -11.947 10.146 -24.697 1.0 75.12 ? 28 A 7 +ATOM 417 H HG13 . VAL A 1 28 ? -11.267 11.425 -23.691 1.0 43.12 ? 28 A 7 +ATOM 418 H HG21 . VAL A 1 28 ? -8.615 11.372 -23.42 1.0 22.23 ? 28 A 7 +ATOM 419 H HG22 . VAL A 1 28 ? -7.834 11.141 -24.985 1.0 21.24 ? 28 A 7 +ATOM 420 H HG23 . VAL A 1 28 ? -9.078 12.377 -24.793 1.0 51.43 ? 28 A 7 +ATOM 421 N N . GLY A 1 29 ? -9.88 7.452 -25.86 1.0 51.02 ? 29 A 7 +ATOM 422 C CA . GLY A 1 29 ? -10.537 6.384 -26.591 1.0 24.21 ? 29 A 7 +ATOM 423 C C . GLY A 1 29 ? -11.019 5.271 -25.681 1.0 62.32 ? 29 A 7 +ATOM 424 O O . GLY A 1 29 ? -12.18 4.866 -25.747 1.0 1.41 ? 29 A 7 +ATOM 425 H H . GLY A 1 29 ? -9.027 7.81 -26.182 1.0 25.44 ? 29 A 7 +ATOM 426 H HA2 . GLY A 1 29 ? -11.383 6.793 -27.122 1.0 33.14 ? 29 A 7 +ATOM 427 H HA3 . GLY A 1 29 ? -9.84 5.971 -27.306 1.0 61.11 ? 29 A 7 +ATOM 428 N N . ALA A 1 30 ? -10.127 4.775 -24.831 1.0 0.3 ? 30 A 7 +ATOM 429 C CA . ALA A 1 30 ? -10.468 3.703 -23.904 1.0 24.42 ? 30 A 7 +ATOM 430 C C . ALA A 1 30 ? -11.585 4.13 -22.958 1.0 23.15 ? 30 A 7 +ATOM 431 O O . ALA A 1 30 ? -12.441 3.326 -22.588 1.0 23.32 ? 30 A 7 +ATOM 432 C CB . ALA A 1 30 ? -9.239 3.276 -23.115 1.0 4.23 ? 30 A 7 +ATOM 433 H H . ALA A 1 30 ? -9.217 5.139 -24.826 1.0 13.0 ? 30 A 7 +ATOM 434 H HA . ALA A 1 30 ? -10.806 2.855 -24.484 1.0 42.35 ? 30 A 7 +ATOM 435 H HB1 . ALA A 1 30 ? -9.51 2.488 -22.428 1.0 24.3 ? 30 A 7 +ATOM 436 H HB2 . ALA A 1 30 ? -8.482 2.916 -23.796 1.0 15.25 ? 30 A 7 +ATOM 437 H HB3 . ALA A 1 30 ? -8.855 4.12 -22.563 1.0 54.13 ? 30 A 7 +ATOM 438 N N . VAL A 1 31 ? -11.57 5.4 -22.568 1.0 44.02 ? 31 A 7 +ATOM 439 C CA . VAL A 1 31 ? -12.582 5.935 -21.664 1.0 44.43 ? 31 A 7 +ATOM 440 C C . VAL A 1 31 ? -13.962 5.912 -22.31 1.0 22.33 ? 31 A 7 +ATOM 441 O O . VAL A 1 31 ? -14.945 5.511 -21.686 1.0 41.34 ? 31 A 7 +ATOM 442 C CB . VAL A 1 31 ? -12.25 7.378 -21.24 1.0 42.01 ? 31 A 7 +ATOM 443 C CG1 . VAL A 1 31 ? -13.378 7.962 -20.404 1.0 61.22 ? 31 A 7 +ATOM 444 C CG2 . VAL A 1 31 ? -10.934 7.419 -20.478 1.0 34.2 ? 31 A 7 +ATOM 445 H H . VAL A 1 31 ? -10.862 5.993 -22.896 1.0 33.11 ? 31 A 7 +ATOM 446 H HA . VAL A 1 31 ? -12.598 5.316 -20.778 1.0 53.53 ? 31 A 7 +ATOM 447 H HB . VAL A 1 31 ? -12.144 7.978 -22.131 1.0 34.14 ? 31 A 7 +ATOM 448 H HG11 . VAL A 1 31 ? -12.972 8.386 -19.498 1.0 24.43 ? 31 A 7 +ATOM 449 H HG12 . VAL A 1 31 ? -13.884 8.731 -20.968 1.0 62.24 ? 31 A 7 +ATOM 450 H HG13 . VAL A 1 31 ? -14.08 7.18 -20.151 1.0 4.44 ? 31 A 7 +ATOM 451 H HG21 . VAL A 1 31 ? -10.137 7.702 -21.149 1.0 32.4 ? 31 A 7 +ATOM 452 H HG22 . VAL A 1 31 ? -11.004 8.141 -19.678 1.0 31.51 ? 31 A 7 +ATOM 453 H HG23 . VAL A 1 31 ? -10.726 6.443 -20.064 1.0 2.41 ? 31 A 7 +ATOM 454 N N . LYS A 1 32 ? -14.03 6.343 -23.565 1.0 44.33 ? 32 A 7 +ATOM 455 C CA . LYS A 1 32 ? -15.29 6.371 -24.298 1.0 33.41 ? 32 A 7 +ATOM 456 C C . LYS A 1 32 ? -15.945 4.994 -24.307 1.0 33.52 ? 32 A 7 +ATOM 457 O O . LYS A 1 32 ? -17.156 4.87 -24.126 1.0 55.22 ? 32 A 7 +ATOM 458 C CB . LYS A 1 32 ? -15.058 6.847 -25.734 1.0 21.43 ? 32 A 7 +ATOM 459 C CG . LYS A 1 32 ? -15.779 8.141 -26.07 1.0 62.04 ? 32 A 7 +ATOM 460 C CD . LYS A 1 32 ? -14.853 9.341 -25.956 1.0 13.3 ? 32 A 7 +ATOM 461 C CE . LYS A 1 32 ? -14.328 9.771 -27.317 1.0 61.02 ? 32 A 7 +ATOM 462 N NZ . LYS A 1 32 ? -13.756 8.626 -28.079 1.0 10.13 ? 32 A 7 +ATOM 463 H H . LYS A 1 32 ? -13.211 6.65 -24.009 1.0 0.43 ? 32 A 7 +ATOM 464 H HA . LYS A 1 32 ? -15.949 7.066 -23.8 1.0 20.21 ? 32 A 7 +ATOM 465 H HB2 . LYS A 1 32 ? -13.999 7.0 -25.883 1.0 31.13 ? 32 A 7 +ATOM 466 H HB3 . LYS A 1 32 ? -15.401 6.081 -26.414 1.0 51.43 ? 32 A 7 +ATOM 467 H HG2 . LYS A 1 32 ? -16.151 8.082 -27.082 1.0 34.55 ? 32 A 7 +ATOM 468 H HG3 . LYS A 1 32 ? -16.606 8.269 -25.387 1.0 75.31 ? 32 A 7 +ATOM 469 H HD2 . LYS A 1 32 ? -15.397 10.163 -25.516 1.0 62.53 ? 32 A 7 +ATOM 470 H HD3 . LYS A 1 32 ? -14.017 9.08 -25.323 1.0 34.24 ? 32 A 7 +ATOM 471 H HE2 . LYS A 1 32 ? -15.141 10.198 -27.884 1.0 32.35 ? 32 A 7 +ATOM 472 H HE3 . LYS A 1 32 ? -13.56 10.516 -27.173 1.0 31.14 ? 32 A 7 +ATOM 473 H HZ1 . LYS A 1 32 ? -13.059 8.121 -27.495 1.0 3.34 ? 32 A 7 +ATOM 474 H HZ2 . LYS A 1 32 ? -13.288 8.969 -28.942 1.0 11.13 ? 32 A 7 +ATOM 475 H HZ3 . LYS A 1 32 ? -14.511 7.963 -28.348 1.0 13.55 ? 32 A 7 +ATOM 476 N N . ALA A 1 33 ? -15.136 3.96 -24.517 1.0 34.21 ? 33 A 7 +ATOM 477 C CA . ALA A 1 33 ? -15.636 2.592 -24.546 1.0 60.31 ? 33 A 7 +ATOM 478 C C . ALA A 1 33 ? -16.213 2.189 -23.193 1.0 31.03 ? 33 A 7 +ATOM 479 O O . ALA A 1 33 ? -17.254 1.536 -23.119 1.0 31.32 ? 33 A 7 +ATOM 480 C CB . ALA A 1 33 ? -14.528 1.633 -24.956 1.0 54.24 ? 33 A 7 +ATOM 481 H H . ALA A 1 33 ? -14.179 4.122 -24.655 1.0 43.1 ? 33 A 7 +ATOM 482 H HA . ALA A 1 33 ? -16.418 2.538 -25.29 1.0 53.01 ? 33 A 7 +ATOM 483 H HB1 . ALA A 1 33 ? -13.655 1.811 -24.345 1.0 2.33 ? 33 A 7 +ATOM 484 H HB2 . ALA A 1 33 ? -14.863 0.616 -24.819 1.0 61.23 ? 33 A 7 +ATOM 485 H HB3 . ALA A 1 33 ? -14.279 1.794 -25.995 1.0 53.23 ? 33 A 7 +ATOM 486 N N . LYS A 1 34 ? -15.529 2.582 -22.124 1.0 30.14 ? 34 A 7 +ATOM 487 C CA . LYS A 1 34 ? -15.972 2.263 -20.772 1.0 3.41 ? 34 A 7 +ATOM 488 C C . LYS A 1 34 ? -17.356 2.846 -20.501 1.0 51.04 ? 34 A 7 +ATOM 489 O O . LYS A 1 34 ? -18.217 2.182 -19.924 1.0 30.3 ? 34 A 7 +ATOM 490 C CB . LYS A 1 34 ? -14.972 2.799 -19.745 1.0 63.02 ? 34 A 7 +ATOM 491 C CG . LYS A 1 34 ? -15.329 2.453 -18.31 1.0 24.43 ? 34 A 7 +ATOM 492 C CD . LYS A 1 34 ? -14.168 2.718 -17.367 1.0 44.42 ? 34 A 7 +ATOM 493 C CE . LYS A 1 34 ? -14.599 2.622 -15.911 1.0 34.12 ? 34 A 7 +ATOM 494 N NZ . LYS A 1 34 ? -14.026 1.423 -15.241 1.0 13.0 ? 34 A 7 +ATOM 495 H H . LYS A 1 34 ? -14.706 3.1 -22.247 1.0 65.25 ? 34 A 7 +ATOM 496 H HA . LYS A 1 34 ? -16.025 1.189 -20.685 1.0 3.22 ? 34 A 7 +ATOM 497 H HB2 . LYS A 1 34 ? -13.997 2.387 -19.961 1.0 71.03 ? 34 A 7 +ATOM 498 H HB3 . LYS A 1 34 ? -14.926 3.875 -19.833 1.0 71.12 ? 34 A 7 +ATOM 499 H HG2 . LYS A 1 34 ? -16.173 3.054 -18.003 1.0 24.23 ? 34 A 7 +ATOM 500 H HG3 . LYS A 1 34 ? -15.593 1.406 -18.257 1.0 22.21 ? 34 A 7 +ATOM 501 H HD2 . LYS A 1 34 ? -13.393 1.989 -17.549 1.0 63.43 ? 34 A 7 +ATOM 502 H HD3 . LYS A 1 34 ? -13.783 3.71 -17.554 1.0 75.33 ? 34 A 7 +ATOM 503 H HE2 . LYS A 1 34 ? -14.266 3.508 -15.392 1.0 34.14 ? 34 A 7 +ATOM 504 H HE3 . LYS A 1 34 ? -15.677 2.566 -15.872 1.0 0.12 ? 34 A 7 +ATOM 505 H HZ1 . LYS A 1 34 ? -13.07 1.233 -15.604 1.0 62.42 ? 34 A 7 +ATOM 506 H HZ2 . LYS A 1 34 ? -14.625 0.592 -15.421 1.0 14.2 ? 34 A 7 +ATOM 507 H HZ3 . LYS A 1 34 ? -13.971 1.579 -14.214 1.0 65.2 ? 34 A 7 +ATOM 508 N N . ILE A 1 35 ? -17.562 4.089 -20.924 1.0 14.42 ? 35 A 7 +ATOM 509 C CA . ILE A 1 35 ? -18.842 4.759 -20.729 1.0 22.32 ? 35 A 7 +ATOM 510 C C . ILE A 1 35 ? -19.944 4.085 -21.539 1.0 74.31 ? 35 A 7 +ATOM 511 O O . ILE A 1 35 ? -21.089 3.997 -21.096 1.0 33.23 ? 35 A 7 +ATOM 512 C CB . ILE A 1 35 ? -18.765 6.245 -21.125 1.0 42.5 ? 35 A 7 +ATOM 513 C CG1 . ILE A 1 35 ? -17.633 6.94 -20.365 1.0 22.04 ? 35 A 7 +ATOM 514 C CG2 . ILE A 1 35 ? -20.094 6.935 -20.854 1.0 45.14 ? 35 A 7 +ATOM 515 C CD1 . ILE A 1 35 ? -17.789 6.88 -18.861 1.0 11.1 ? 35 A 7 +ATOM 516 H H . ILE A 1 35 ? -16.837 4.566 -21.378 1.0 54.44 ? 35 A 7 +ATOM 517 H HA . ILE A 1 35 ? -19.093 4.699 -19.68 1.0 30.01 ? 35 A 7 +ATOM 518 H HB . ILE A 1 35 ? -18.566 6.303 -22.184 1.0 2.44 ? 35 A 7 +ATOM 519 H HG12 . ILE A 1 35 ? -16.696 6.471 -20.62 1.0 3.24 ? 35 A 7 +ATOM 520 H HG13 . ILE A 1 35 ? -17.601 7.981 -20.655 1.0 0.11 ? 35 A 7 +ATOM 521 H HG21 . ILE A 1 35 ? -20.819 6.204 -20.528 1.0 65.32 ? 35 A 7 +ATOM 522 H HG22 . ILE A 1 35 ? -19.962 7.678 -20.082 1.0 43.1 ? 35 A 7 +ATOM 523 H HG23 . ILE A 1 35 ? -20.443 7.411 -21.757 1.0 75.41 ? 35 A 7 +ATOM 524 H HD11 . ILE A 1 35 ? -17.331 7.752 -18.417 1.0 43.52 ? 35 A 7 +ATOM 525 H HD12 . ILE A 1 35 ? -18.839 6.858 -18.608 1.0 71.15 ? 35 A 7 +ATOM 526 H HD13 . ILE A 1 35 ? -17.308 5.99 -18.484 1.0 74.3 ? 35 A 7 +ATOM 527 N N . TYR A 1 36 ? -19.59 3.61 -22.728 1.0 62.53 ? 36 A 7 +ATOM 528 C CA . TYR A 1 36 ? -20.549 2.944 -23.601 1.0 64.44 ? 36 A 7 +ATOM 529 C C . TYR A 1 36 ? -21.198 1.758 -22.894 1.0 53.42 ? 36 A 7 +ATOM 530 O O . TYR A 1 36 ? -22.414 1.574 -22.954 1.0 34.33 ? 36 A 7 +ATOM 531 C CB . TYR A 1 36 ? -19.862 2.473 -24.884 1.0 74.42 ? 36 A 7 +ATOM 532 C CG . TYR A 1 36 ? -20.204 1.051 -25.267 1.0 43.51 ? 36 A 7 +ATOM 533 C CD1 . TYR A 1 36 ? -21.453 0.73 -25.783 1.0 62.31 ? 36 A 7 +ATOM 534 C CD2 . TYR A 1 36 ? -19.276 0.027 -25.113 1.0 22.21 ? 36 A 7 +ATOM 535 C CE1 . TYR A 1 36 ? -21.769 -0.568 -26.134 1.0 25.24 ? 36 A 7 +ATOM 536 C CE2 . TYR A 1 36 ? -19.583 -1.274 -25.462 1.0 24.41 ? 36 A 7 +ATOM 537 C CZ . TYR A 1 36 ? -20.831 -1.566 -25.971 1.0 51.0 ? 36 A 7 +ATOM 538 O OH . TYR A 1 36 ? -21.142 -2.861 -26.32 1.0 31.41 ? 36 A 7 +ATOM 539 H H . TYR A 1 36 ? -18.662 3.71 -23.027 1.0 42.53 ? 36 A 7 +ATOM 540 H HA . TYR A 1 36 ? -21.317 3.659 -23.858 1.0 45.34 ? 36 A 7 +ATOM 541 H HB2 . TYR A 1 36 ? -20.157 3.115 -25.699 1.0 32.41 ? 36 A 7 +ATOM 542 H HB3 . TYR A 1 36 ? -18.791 2.534 -24.753 1.0 73.31 ? 36 A 7 +ATOM 543 H HD1 . TYR A 1 36 ? -22.185 1.514 -25.909 1.0 14.41 ? 36 A 7 +ATOM 544 H HD2 . TYR A 1 36 ? -18.299 0.26 -24.713 1.0 73.43 ? 36 A 7 +ATOM 545 H HE1 . TYR A 1 36 ? -22.746 -0.798 -26.533 1.0 30.0 ? 36 A 7 +ATOM 546 H HE2 . TYR A 1 36 ? -18.849 -2.056 -25.335 1.0 11.1 ? 36 A 7 +ATOM 547 H HH . TYR A 1 36 ? -20.334 -3.346 -26.5 1.0 20.21 ? 36 A 7 +ATOM 548 N N . ASP A 1 37 ? -20.378 0.957 -22.223 1.0 31.31 ? 37 A 7 +ATOM 549 C CA . ASP A 1 37 ? -20.87 -0.211 -21.501 1.0 4.3 ? 37 A 7 +ATOM 550 C C . ASP A 1 37 ? -21.566 0.203 -20.208 1.0 30.32 ? 37 A 7 +ATOM 551 O O . ASP A 1 37 ? -22.528 -0.434 -19.777 1.0 62.0 ? 37 A 7 +ATOM 552 C CB . ASP A 1 37 ? -19.718 -1.168 -21.191 1.0 35.43 ? 37 A 7 +ATOM 553 C CG . ASP A 1 37 ? -20.021 -2.593 -21.611 1.0 34.32 ? 37 A 7 +ATOM 554 O OD1 . ASP A 1 37 ? -19.874 -2.901 -22.812 1.0 31.12 ? 37 A 7 +ATOM 555 O OD2 . ASP A 1 37 ? -20.405 -3.4 -20.739 1.0 3.2 ? 37 A 7 +ATOM 556 H H . ASP A 1 37 ? -19.418 1.156 -22.212 1.0 51.42 ? 37 A 7 +ATOM 557 H HA . ASP A 1 37 ? -21.584 -0.715 -22.134 1.0 32.24 ? 37 A 7 +ATOM 558 H HB2 . ASP A 1 37 ? -18.833 -0.838 -21.716 1.0 43.14 ? 37 A 7 +ATOM 559 H HB3 . ASP A 1 37 ? -19.526 -1.158 -20.128 1.0 34.23 ? 37 A 7 +ATOM 560 N N . LYS A 1 38 ? -21.073 1.272 -19.593 1.0 33.03 ? 38 A 7 +ATOM 561 C CA . LYS A 1 38 ? -21.647 1.772 -18.349 1.0 33.5 ? 38 A 7 +ATOM 562 C C . LYS A 1 38 ? -23.131 2.08 -18.519 1.0 62.1 ? 38 A 7 +ATOM 563 O O . LYS A 1 38 ? -23.955 1.676 -17.7 1.0 13.24 ? 38 A 7 +ATOM 564 C CB . LYS A 1 38 ? -20.904 3.029 -17.89 1.0 32.13 ? 38 A 7 +ATOM 565 C CG . LYS A 1 38 ? -20.195 2.863 -16.557 1.0 11.13 ? 38 A 7 +ATOM 566 C CD . LYS A 1 38 ? -18.734 2.49 -16.745 1.0 55.11 ? 38 A 7 +ATOM 567 C CE . LYS A 1 38 ? -18.518 0.991 -16.602 1.0 12.13 ? 38 A 7 +ATOM 568 N NZ . LYS A 1 38 ? -17.837 0.412 -17.793 1.0 62.42 ? 38 A 7 +ATOM 569 H H . LYS A 1 38 ? -20.305 1.737 -19.986 1.0 40.1 ? 38 A 7 +ATOM 570 H HA . LYS A 1 38 ? -21.534 1.003 -17.6 1.0 13.43 ? 38 A 7 +ATOM 571 H HB2 . LYS A 1 38 ? -20.168 3.29 -18.636 1.0 53.44 ? 38 A 7 +ATOM 572 H HB3 . LYS A 1 38 ? -21.614 3.838 -17.798 1.0 74.35 ? 38 A 7 +ATOM 573 H HG2 . LYS A 1 38 ? -20.25 3.793 -16.012 1.0 72.35 ? 38 A 7 +ATOM 574 H HG3 . LYS A 1 38 ? -20.686 2.083 -15.993 1.0 65.33 ? 38 A 7 +ATOM 575 H HD2 . LYS A 1 38 ? -18.418 2.794 -17.732 1.0 31.44 ? 38 A 7 +ATOM 576 H HD3 . LYS A 1 38 ? -18.141 3.003 -16.001 1.0 51.13 ? 38 A 7 +ATOM 577 H HE2 . LYS A 1 38 ? -17.912 0.81 -15.727 1.0 72.24 ? 38 A 7 +ATOM 578 H HE3 . LYS A 1 38 ? -19.479 0.513 -16.479 1.0 52.14 ? 38 A 7 +ATOM 579 H HZ1 . LYS A 1 38 ? -18.416 -0.349 -18.201 1.0 12.21 ? 38 A 7 +ATOM 580 H HZ2 . LYS A 1 38 ? -16.912 0.021 -17.52 1.0 31.3 ? 38 A 7 +ATOM 581 H HZ3 . LYS A 1 38 ? -17.691 1.147 -18.513 1.0 72.13 ? 38 A 7 +ATOM 582 N N . GLU A 1 39 ? -23.464 2.795 -19.589 1.0 74.33 ? 39 A 7 +ATOM 583 C CA . GLU A 1 39 ? -24.849 3.156 -19.866 1.0 31.43 ? 39 A 7 +ATOM 584 C C . GLU A 1 39 ? -25.42 2.298 -20.992 1.0 55.55 ? 39 A 7 +ATOM 585 O O . GLU A 1 39 ? -26.437 1.628 -20.822 1.0 44.25 ? 39 A 7 +ATOM 586 C CB . GLU A 1 39 ? -24.95 4.637 -20.236 1.0 31.12 ? 39 A 7 +ATOM 587 C CG . GLU A 1 39 ? -23.779 5.469 -19.743 1.0 22.34 ? 39 A 7 +ATOM 588 C CD . GLU A 1 39 ? -23.755 5.606 -18.233 1.0 34.02 ? 39 A 7 +ATOM 589 O OE1 . GLU A 1 39 ? -23.895 4.576 -17.541 1.0 60.52 ? 39 A 7 +ATOM 590 O OE2 . GLU A 1 39 ? -23.597 6.744 -17.743 1.0 24.54 ? 39 A 7 +ATOM 591 H H . GLU A 1 39 ? -22.761 3.088 -20.206 1.0 53.12 ? 39 A 7 +ATOM 592 H HA . GLU A 1 39 ? -25.423 2.979 -18.969 1.0 24.23 ? 39 A 7 +ATOM 593 H HB2 . GLU A 1 39 ? -25.0 4.724 -21.312 1.0 13.32 ? 39 A 7 +ATOM 594 H HB3 . GLU A 1 39 ? -25.856 5.041 -19.81 1.0 53.15 ? 39 A 7 +ATOM 595 H HG2 . GLU A 1 39 ? -22.86 4.998 -20.06 1.0 73.51 ? 39 A 7 +ATOM 596 H HG3 . GLU A 1 39 ? -23.845 6.455 -20.178 1.0 55.55 ? 39 A 7 +ATOM 597 N N . GLY A 1 40 ? -24.756 2.327 -22.144 1.0 41.31 ? 40 A 7 +ATOM 598 C CA . GLY A 1 40 ? -25.212 1.549 -23.282 1.0 23.2 ? 40 A 7 +ATOM 599 C C . GLY A 1 40 ? -25.48 2.409 -24.501 1.0 54.31 ? 40 A 7 +ATOM 600 O O . GLY A 1 40 ? -26.515 2.266 -25.153 1.0 62.35 ? 40 A 7 +ATOM 601 H H . GLY A 1 40 ? -23.951 2.88 -22.222 1.0 1.31 ? 40 A 7 +ATOM 602 H HA2 . GLY A 1 40 ? -24.457 0.818 -23.529 1.0 42.33 ? 40 A 7 +ATOM 603 H HA3 . GLY A 1 40 ? -26.122 1.035 -23.011 1.0 42.25 ? 40 A 7 +ATOM 604 N N . ILE A 1 41 ? -24.548 3.304 -24.809 1.0 11.45 ? 41 A 7 +ATOM 605 C CA . ILE A 1 41 ? -24.69 4.19 -25.957 1.0 13.21 ? 41 A 7 +ATOM 606 C C . ILE A 1 41 ? -23.46 4.126 -26.856 1.0 73.14 ? 41 A 7 +ATOM 607 O O . ILE A 1 41 ? -22.376 3.719 -26.439 1.0 54.03 ? 41 A 7 +ATOM 608 C CB . ILE A 1 41 ? -24.916 5.649 -25.518 1.0 13.54 ? 41 A 7 +ATOM 609 C CG1 . ILE A 1 41 ? -24.104 5.957 -24.258 1.0 35.25 ? 41 A 7 +ATOM 610 C CG2 . ILE A 1 41 ? -26.396 5.907 -25.278 1.0 15.54 ? 41 A 7 +ATOM 611 C CD1 . ILE A 1 41 ? -24.213 7.397 -23.806 1.0 51.21 ? 41 A 7 +ATOM 612 H H . ILE A 1 41 ? -23.745 3.37 -24.25 1.0 10.31 ? 41 A 7 +ATOM 613 H HA . ILE A 1 41 ? -25.553 3.868 -26.522 1.0 22.4 ? 41 A 7 +ATOM 614 H HB . ILE A 1 41 ? -24.587 6.297 -26.317 1.0 2.22 ? 41 A 7 +ATOM 615 H HG12 . ILE A 1 41 ? -24.451 5.33 -23.452 1.0 53.25 ? 41 A 7 +ATOM 616 H HG13 . ILE A 1 41 ? -23.062 5.746 -24.45 1.0 73.21 ? 41 A 7 +ATOM 617 H HG21 . ILE A 1 41 ? -26.974 5.092 -25.688 1.0 41.34 ? 41 A 7 +ATOM 618 H HG22 . ILE A 1 41 ? -26.58 5.98 -24.217 1.0 35.01 ? 41 A 7 +ATOM 619 H HG23 . ILE A 1 41 ? -26.683 6.83 -25.758 1.0 24.24 ? 41 A 7 +ATOM 620 H HD11 . ILE A 1 41 ? -24.994 7.891 -24.366 1.0 13.35 ? 41 A 7 +ATOM 621 H HD12 . ILE A 1 41 ? -24.452 7.427 -22.753 1.0 5.02 ? 41 A 7 +ATOM 622 H HD13 . ILE A 1 41 ? -23.274 7.9 -23.978 1.0 73.01 ? 41 A 7 +ATOM 623 N N . PRO A 1 42 ? -23.629 4.54 -28.121 1.0 42.01 ? 42 A 7 +ATOM 624 C CA . PRO A 1 42 ? -22.543 4.542 -29.105 1.0 63.34 ? 42 A 7 +ATOM 625 C C . PRO A 1 42 ? -21.485 5.595 -28.799 1.0 4.23 ? 42 A 7 +ATOM 626 O O . PRO A 1 42 ? -21.751 6.797 -28.803 1.0 21.54 ? 42 A 7 +ATOM 627 C CB . PRO A 1 42 ? -23.257 4.867 -30.42 1.0 63.45 ? 42 A 7 +ATOM 628 C CG . PRO A 1 42 ? -24.479 5.614 -30.013 1.0 31.23 ? 42 A 7 +ATOM 629 C CD . PRO A 1 42 ? -24.894 5.039 -28.687 1.0 52.22 ? 42 A 7 +ATOM 630 H HA . PRO A 1 42 ? -22.073 3.572 -29.179 1.0 60.32 ? 42 A 7 +ATOM 631 H HB2 . PRO A 1 42 ? -22.612 5.472 -31.042 1.0 50.23 ? 42 A 7 +ATOM 632 H HB3 . PRO A 1 42 ? -23.507 3.951 -30.934 1.0 64.01 ? 42 A 7 +ATOM 633 H HG2 . PRO A 1 42 ? -24.251 6.664 -29.911 1.0 0.11 ? 42 A 7 +ATOM 634 H HG3 . PRO A 1 42 ? -25.26 5.468 -30.745 1.0 1.1 ? 42 A 7 +ATOM 635 H HD2 . PRO A 1 42 ? -25.321 5.806 -28.059 1.0 11.32 ? 42 A 7 +ATOM 636 H HD3 . PRO A 1 42 ? -25.597 4.231 -28.829 1.0 34.03 ? 42 A 7 +ATOM 637 N N . PRO A 1 43 ? -20.254 5.137 -28.527 1.0 1.41 ? 43 A 7 +ATOM 638 C CA . PRO A 1 43 ? -19.13 6.025 -28.214 1.0 62.53 ? 43 A 7 +ATOM 639 C C . PRO A 1 43 ? -18.67 6.827 -29.427 1.0 21.35 ? 43 A 7 +ATOM 640 O O . PRO A 1 43 ? -18.194 7.954 -29.293 1.0 73.42 ? 43 A 7 +ATOM 641 C CB . PRO A 1 43 ? -18.031 5.06 -27.763 1.0 74.43 ? 43 A 7 +ATOM 642 C CG . PRO A 1 43 ? -18.363 3.769 -28.427 1.0 42.11 ? 43 A 7 +ATOM 643 C CD . PRO A 1 43 ? -19.864 3.717 -28.504 1.0 32.53 ? 43 A 7 +ATOM 644 H HA . PRO A 1 43 ? -19.371 6.701 -27.407 1.0 3.1 ? 43 A 7 +ATOM 645 H HB2 . PRO A 1 43 ? -17.068 5.433 -28.081 1.0 1.2 ? 43 A 7 +ATOM 646 H HB3 . PRO A 1 43 ? -18.049 4.966 -26.687 1.0 52.2 ? 43 A 7 +ATOM 647 H HG2 . PRO A 1 43 ? -17.936 3.745 -29.418 1.0 21.5 ? 43 A 7 +ATOM 648 H HG3 . PRO A 1 43 ? -17.99 2.945 -27.837 1.0 41.32 ? 43 A 7 +ATOM 649 H HD2 . PRO A 1 43 ? -20.179 3.216 -29.407 1.0 55.24 ? 43 A 7 +ATOM 650 H HD3 . PRO A 1 43 ? -20.27 3.221 -27.634 1.0 31.14 ? 43 A 7 +ATOM 651 N N . ASP A 1 44 ? -18.814 6.238 -30.609 1.0 54.12 ? 44 A 7 +ATOM 652 C CA . ASP A 1 44 ? -18.414 6.898 -31.846 1.0 51.34 ? 44 A 7 +ATOM 653 C C . ASP A 1 44 ? -19.398 8.005 -32.213 1.0 65.34 ? 44 A 7 +ATOM 654 O O . ASP A 1 44 ? -19.095 8.868 -33.037 1.0 41.23 ? 44 A 7 +ATOM 655 C CB . ASP A 1 44 ? -18.322 5.882 -32.985 1.0 23.35 ? 44 A 7 +ATOM 656 C CG . ASP A 1 44 ? -17.501 6.393 -34.152 1.0 52.14 ? 44 A 7 +ATOM 657 O OD1 . ASP A 1 44 ? -16.278 6.574 -33.982 1.0 70.43 ? 44 A 7 +ATOM 658 O OD2 . ASP A 1 44 ? -18.082 6.613 -35.236 1.0 15.14 ? 44 A 7 +ATOM 659 H H . ASP A 1 44 ? -19.2 5.337 -30.65 1.0 64.31 ? 44 A 7 +ATOM 660 H HA . ASP A 1 44 ? -17.441 7.337 -31.688 1.0 72.42 ? 44 A 7 +ATOM 661 H HB2 . ASP A 1 44 ? -17.863 4.977 -32.615 1.0 64.21 ? 44 A 7 +ATOM 662 H HB3 . ASP A 1 44 ? -19.318 5.657 -33.339 1.0 74.33 ? 44 A 7 +ATOM 663 N N . GLN A 1 45 ? -20.575 7.972 -31.598 1.0 24.51 ? 45 A 7 +ATOM 664 C CA . GLN A 1 45 ? -21.603 8.972 -31.862 1.0 55.1 ? 45 A 7 +ATOM 665 C C . GLN A 1 45 ? -21.565 10.081 -30.816 1.0 65.33 ? 45 A 7 +ATOM 666 O O . GLN A 1 45 ? -22.194 11.126 -30.983 1.0 0.12 ? 45 A 7 +ATOM 667 C CB . GLN A 1 45 ? -22.987 8.319 -31.88 1.0 3.33 ? 45 A 7 +ATOM 668 C CG . GLN A 1 45 ? -23.389 7.783 -33.244 1.0 71.05 ? 45 A 7 +ATOM 669 C CD . GLN A 1 45 ? -24.403 6.66 -33.154 1.0 50.21 ? 45 A 7 +ATOM 670 O OE1 . GLN A 1 45 ? -25.506 6.844 -32.639 1.0 30.33 ? 45 A 7 +ATOM 671 N NE2 . GLN A 1 45 ? -24.035 5.487 -33.657 1.0 54.11 ? 45 A 7 +ATOM 672 H H . GLN A 1 45 ? -20.757 7.259 -30.951 1.0 33.14 ? 45 A 7 +ATOM 673 H HA . GLN A 1 45 ? -21.406 9.402 -32.832 1.0 54.13 ? 45 A 7 +ATOM 674 H HB2 . GLN A 1 45 ? -22.993 7.498 -31.178 1.0 72.22 ? 45 A 7 +ATOM 675 H HB3 . GLN A 1 45 ? -23.72 9.05 -31.574 1.0 51.24 ? 45 A 7 +ATOM 676 H HG2 . GLN A 1 45 ? -23.818 8.589 -33.821 1.0 11.31 ? 45 A 7 +ATOM 677 H HG3 . GLN A 1 45 ? -22.506 7.413 -33.745 1.0 33.23 ? 45 A 7 +ATOM 678 H HE21 . GLN A 1 45 ? -23.14 5.414 -34.051 1.0 35.4 ? 45 A 7 +ATOM 679 H HE22 . GLN A 1 45 ? -24.67 4.744 -33.612 1.0 53.4 ? 45 A 7 +ATOM 680 N N . GLN A 1 46 ? -20.824 9.847 -29.738 1.0 5.34 ? 46 A 7 +ATOM 681 C CA . GLN A 1 46 ? -20.705 10.827 -28.665 1.0 54.21 ? 46 A 7 +ATOM 682 C C . GLN A 1 46 ? -19.275 11.346 -28.558 1.0 23.33 ? 46 A 7 +ATOM 683 O O . GLN A 1 46 ? -18.321 10.638 -28.88 1.0 42.0 ? 46 A 7 +ATOM 684 C CB . GLN A 1 46 ? -21.138 10.211 -27.333 1.0 54.1 ? 46 A 7 +ATOM 685 C CG . GLN A 1 46 ? -20.292 9.021 -26.91 1.0 63.33 ? 46 A 7 +ATOM 686 C CD . GLN A 1 46 ? -20.183 8.889 -25.404 1.0 73.34 ? 46 A 7 +ATOM 687 O OE1 . GLN A 1 46 ? -21.161 8.579 -24.724 1.0 62.34 ? 46 A 7 +ATOM 688 N NE2 . GLN A 1 46 ? -18.988 9.124 -24.874 1.0 52.51 ? 46 A 7 +ATOM 689 H H . GLN A 1 46 ? -20.346 8.995 -29.663 1.0 61.13 ? 46 A 7 +ATOM 690 H HA . GLN A 1 46 ? -21.359 11.654 -28.898 1.0 1.54 ? 46 A 7 +ATOM 691 H HB2 . GLN A 1 46 ? -21.071 10.965 -26.563 1.0 70.34 ? 46 A 7 +ATOM 692 H HB3 . GLN A 1 46 ? -22.164 9.884 -27.418 1.0 24.41 ? 46 A 7 +ATOM 693 H HG2 . GLN A 1 46 ? -20.739 8.12 -27.303 1.0 71.34 ? 46 A 7 +ATOM 694 H HG3 . GLN A 1 46 ? -19.3 9.137 -27.32 1.0 12.44 ? 46 A 7 +ATOM 695 H HE21 . GLN A 1 46 ? -18.254 9.368 -25.478 1.0 61.21 ? 46 A 7 +ATOM 696 H HE22 . GLN A 1 46 ? -18.889 9.047 -23.903 1.0 54.41 ? 46 A 7 +ATOM 697 N N . ARG A 1 47 ? -19.134 12.587 -28.104 1.0 11.31 ? 47 A 7 +ATOM 698 C CA . ARG A 1 47 ? -17.821 13.202 -27.956 1.0 74.42 ? 47 A 7 +ATOM 699 C C . ARG A 1 47 ? -17.72 13.958 -26.634 1.0 0.05 ? 47 A 7 +ATOM 700 O O . ARG A 1 47 ? -18.73 14.233 -25.985 1.0 62.43 ? 47 A 7 +ATOM 701 C CB . ARG A 1 47 ? -17.545 14.153 -29.122 1.0 53.24 ? 47 A 7 +ATOM 702 C CG . ARG A 1 47 ? -17.727 13.511 -30.487 1.0 25.13 ? 47 A 7 +ATOM 703 C CD . ARG A 1 47 ? -17.195 14.404 -31.598 1.0 74.31 ? 47 A 7 +ATOM 704 N NE . ARG A 1 47 ? -17.435 13.834 -32.921 1.0 72.02 ? 47 A 7 +ATOM 705 C CZ . ARG A 1 47 ? -17.357 14.533 -34.047 1.0 4.33 ? 47 A 7 +ATOM 706 N NH1 . ARG A 1 47 ? -17.046 15.821 -34.012 1.0 22.33 ? 47 A 7 +ATOM 707 N NH2 . ARG A 1 47 ? -17.589 13.943 -35.213 1.0 24.44 ? 47 A 7 +ATOM 708 H H . ARG A 1 47 ? -19.933 13.102 -27.863 1.0 14.32 ? 47 A 7 +ATOM 709 H HA . ARG A 1 47 ? -17.083 12.414 -27.963 1.0 52.1 ? 47 A 7 +ATOM 710 H HB2 . ARG A 1 47 ? -18.218 14.995 -29.052 1.0 12.43 ? 47 A 7 +ATOM 711 H HB3 . ARG A 1 47 ? -16.528 14.509 -29.048 1.0 31.22 ? 47 A 7 +ATOM 712 H HG2 . ARG A 1 47 ? -17.192 12.573 -30.508 1.0 2.15 ? 47 A 7 +ATOM 713 H HG3 . ARG A 1 47 ? -18.779 13.332 -30.653 1.0 3.22 ? 47 A 7 +ATOM 714 H HD2 . ARG A 1 47 ? -17.685 15.364 -31.536 1.0 62.34 ? 47 A 7 +ATOM 715 H HD3 . ARG A 1 47 ? -16.132 14.533 -31.459 1.0 4.32 ? 47 A 7 +ATOM 716 H HE . ARG A 1 47 ? -17.666 12.883 -32.97 1.0 51.12 ? 47 A 7 +ATOM 717 H HH11 . ARG A 1 47 ? -16.869 16.268 -33.135 1.0 35.02 ? 47 A 7 +ATOM 718 H HH12 . ARG A 1 47 ? -16.986 16.345 -34.862 1.0 42.25 ? 47 A 7 +ATOM 719 H HH21 . ARG A 1 47 ? -17.824 12.972 -35.244 1.0 32.54 ? 47 A 7 +ATOM 720 H HH22 . ARG A 1 47 ? -17.53 14.47 -36.06 1.0 51.04 ? 47 A 7 +ATOM 721 N N . LEU A 1 48 ? -16.496 14.291 -26.241 1.0 13.42 ? 48 A 7 +ATOM 722 C CA . LEU A 1 48 ? -16.262 15.015 -24.996 1.0 63.04 ? 48 A 7 +ATOM 723 C C . LEU A 1 48 ? -15.955 16.484 -25.27 1.0 70.54 ? 48 A 7 +ATOM 724 O O . LEU A 1 48 ? -15.359 16.823 -26.292 1.0 13.22 ? 48 A 7 +ATOM 725 C CB . LEU A 1 48 ? -15.108 14.377 -24.22 1.0 73.22 ? 48 A 7 +ATOM 726 C CG . LEU A 1 48 ? -14.991 12.856 -24.322 1.0 23.01 ? 48 A 7 +ATOM 727 C CD1 . LEU A 1 48 ? -16.368 12.21 -24.278 1.0 2.23 ? 48 A 7 +ATOM 728 C CD2 . LEU A 1 48 ? -14.256 12.462 -25.595 1.0 62.5 ? 48 A 7 +ATOM 729 H H . LEU A 1 48 ? -15.73 14.045 -26.8 1.0 13.1 ? 48 A 7 +ATOM 730 H HA . LEU A 1 48 ? -17.162 14.952 -24.403 1.0 5.14 ? 48 A 7 +ATOM 731 H HB2 . LEU A 1 48 ? -14.188 14.804 -24.587 1.0 14.35 ? 48 A 7 +ATOM 732 H HB3 . LEU A 1 48 ? -15.232 14.631 -23.177 1.0 62.22 ? 48 A 7 +ATOM 733 H HG . LEU A 1 48 ? -14.423 12.487 -23.479 1.0 74.12 ? 48 A 7 +ATOM 734 H HD11 . LEU A 1 48 ? -17.057 12.867 -23.769 1.0 72.12 ? 48 A 7 +ATOM 735 H HD12 . LEU A 1 48 ? -16.308 11.271 -23.748 1.0 51.52 ? 48 A 7 +ATOM 736 H HD13 . LEU A 1 48 ? -16.715 12.033 -25.285 1.0 50.13 ? 48 A 7 +ATOM 737 H HD21 . LEU A 1 48 ? -13.612 13.271 -25.904 1.0 32.51 ? 48 A 7 +ATOM 738 H HD22 . LEU A 1 48 ? -14.974 12.254 -26.375 1.0 4.35 ? 48 A 7 +ATOM 739 H HD23 . LEU A 1 48 ? -13.662 11.578 -25.409 1.0 44.23 ? 48 A 7 +ATOM 740 N N . ILE A 1 49 ? -16.364 17.35 -24.349 1.0 13.31 ? 49 A 7 +ATOM 741 C CA . ILE A 1 49 ? -16.13 18.782 -24.489 1.0 13.25 ? 49 A 7 +ATOM 742 C C . ILE A 1 49 ? -15.741 19.409 -23.155 1.0 73.24 ? 49 A 7 +ATOM 743 O O . ILE A 1 49 ? -16.429 19.232 -22.15 1.0 20.41 ? 49 A 7 +ATOM 744 C CB . ILE A 1 49 ? -17.373 19.504 -25.041 1.0 42.12 ? 49 A 7 +ATOM 745 C CG1 . ILE A 1 49 ? -17.475 19.307 -26.555 1.0 21.4 ? 49 A 7 +ATOM 746 C CG2 . ILE A 1 49 ? -17.322 20.985 -24.696 1.0 44.11 ? 49 A 7 +ATOM 747 C CD1 . ILE A 1 49 ? -18.74 18.6 -26.988 1.0 30.32 ? 49 A 7 +ATOM 748 H H . ILE A 1 49 ? -16.834 17.018 -23.555 1.0 11.12 ? 49 A 7 +ATOM 749 H HA . ILE A 1 49 ? -15.318 18.919 -25.19 1.0 31.54 ? 49 A 7 +ATOM 750 H HB . ILE A 1 49 ? -18.247 19.08 -24.57 1.0 10.22 ? 49 A 7 +ATOM 751 H HG12 . ILE A 1 49 ? -17.452 20.27 -27.039 1.0 52.53 ? 49 A 7 +ATOM 752 H HG13 . ILE A 1 49 ? -16.633 18.719 -26.891 1.0 23.14 ? 49 A 7 +ATOM 753 H HG21 . ILE A 1 49 ? -17.512 21.116 -23.641 1.0 54.41 ? 49 A 7 +ATOM 754 H HG22 . ILE A 1 49 ? -16.344 21.376 -24.936 1.0 2.4 ? 49 A 7 +ATOM 755 H HG23 . ILE A 1 49 ? -18.071 21.514 -25.265 1.0 53.42 ? 49 A 7 +ATOM 756 H HD11 . ILE A 1 49 ? -18.516 17.934 -27.809 1.0 43.14 ? 49 A 7 +ATOM 757 H HD12 . ILE A 1 49 ? -19.136 18.029 -26.161 1.0 61.33 ? 49 A 7 +ATOM 758 H HD13 . ILE A 1 49 ? -19.47 19.329 -27.306 1.0 3.14 ? 49 A 7 +ATOM 759 N N . PHE A 1 50 ? -14.635 20.145 -23.153 1.0 0.44 ? 50 A 7 +ATOM 760 C CA . PHE A 1 50 ? -14.154 20.8 -21.943 1.0 63.4 ? 50 A 7 +ATOM 761 C C . PHE A 1 50 ? -14.117 22.315 -22.122 1.0 34.31 ? 50 A 7 +ATOM 762 O O . PHE A 1 50 ? -13.281 22.844 -22.853 1.0 24.03 ? 50 A 7 +ATOM 763 C CB . PHE A 1 50 ? -12.761 20.284 -21.577 1.0 1.31 ? 50 A 7 +ATOM 764 C CG . PHE A 1 50 ? -12.344 20.626 -20.175 1.0 63.44 ? 50 A 7 +ATOM 765 C CD1 . PHE A 1 50 ? -13.088 20.189 -19.091 1.0 63.22 ? 50 A 7 +ATOM 766 C CD2 . PHE A 1 50 ? -11.209 21.386 -19.941 1.0 31.12 ? 50 A 7 +ATOM 767 C CE1 . PHE A 1 50 ? -12.707 20.502 -17.799 1.0 44.05 ? 50 A 7 +ATOM 768 C CE2 . PHE A 1 50 ? -10.823 21.701 -18.652 1.0 53.14 ? 50 A 7 +ATOM 769 C CZ . PHE A 1 50 ? -11.573 21.26 -17.58 1.0 64.24 ? 50 A 7 +ATOM 770 H H . PHE A 1 50 ? -14.129 20.249 -23.987 1.0 32.43 ? 50 A 7 +ATOM 771 H HA . PHE A 1 50 ? -14.839 20.561 -21.143 1.0 55.42 ? 50 A 7 +ATOM 772 H HB2 . PHE A 1 50 ? -12.746 19.209 -21.674 1.0 72.21 ? 50 A 7 +ATOM 773 H HB3 . PHE A 1 50 ? -12.037 20.713 -22.253 1.0 52.42 ? 50 A 7 +ATOM 774 H HD1 . PHE A 1 50 ? -13.975 19.596 -19.261 1.0 64.41 ? 50 A 7 +ATOM 775 H HD2 . PHE A 1 50 ? -10.621 21.733 -20.779 1.0 25.0 ? 50 A 7 +ATOM 776 H HE1 . PHE A 1 50 ? -13.296 20.155 -16.963 1.0 33.34 ? 50 A 7 +ATOM 777 H HE2 . PHE A 1 50 ? -9.936 22.294 -18.484 1.0 34.14 ? 50 A 7 +ATOM 778 H HZ . PHE A 1 50 ? -11.273 21.504 -16.572 1.0 42.2 ? 50 A 7 +ATOM 779 N N . GLY A 1 51 ? -15.031 23.007 -21.449 1.0 53.44 ? 51 A 7 +ATOM 780 C CA . GLY A 1 51 ? -15.087 24.454 -21.548 1.0 33.5 ? 51 A 7 +ATOM 781 C C . GLY A 1 51 ? -15.652 24.923 -22.874 1.0 34.32 ? 51 A 7 +ATOM 782 O O . GLY A 1 51 ? -15.829 26.121 -23.092 1.0 0.02 ? 51 A 7 +ATOM 783 H H . GLY A 1 51 ? -15.673 22.532 -20.882 1.0 14.34 ? 51 A 7 +ATOM 784 H HA2 . GLY A 1 51 ? -15.706 24.835 -20.75 1.0 71.3 ? 51 A 7 +ATOM 785 H HA3 . GLY A 1 51 ? -14.088 24.85 -21.435 1.0 2.33 ? 51 A 7 +ATOM 786 N N . GLY A 1 52 ? -15.934 23.977 -23.764 1.0 51.33 ? 52 A 7 +ATOM 787 C CA . GLY A 1 52 ? -16.477 24.32 -25.065 1.0 70.11 ? 52 A 7 +ATOM 788 C C . GLY A 1 52 ? -15.736 23.641 -26.2 1.0 64.35 ? 52 A 7 +ATOM 789 O O . GLY A 1 52 ? -16.289 23.442 -27.282 1.0 21.12 ? 52 A 7 +ATOM 790 H H . GLY A 1 52 ? -15.772 23.037 -23.535 1.0 52.33 ? 52 A 7 +ATOM 791 H HA2 . GLY A 1 52 ? -17.515 24.024 -25.099 1.0 34.31 ? 52 A 7 +ATOM 792 H HA3 . GLY A 1 52 ? -16.413 25.39 -25.198 1.0 33.12 ? 52 A 7 +ATOM 793 N N . LYS A 1 53 ? -14.479 23.286 -25.955 1.0 4.12 ? 53 A 7 +ATOM 794 C CA . LYS A 1 53 ? -13.66 22.626 -26.965 1.0 20.15 ? 53 A 7 +ATOM 795 C C . LYS A 1 53 ? -13.745 21.109 -26.828 1.0 12.34 ? 53 A 7 +ATOM 796 O O . LYS A 1 53 ? -13.847 20.582 -25.721 1.0 53.3 ? 53 A 7 +ATOM 797 C CB . LYS A 1 53 ? -12.203 23.078 -26.844 1.0 12.13 ? 53 A 7 +ATOM 798 C CG . LYS A 1 53 ? -11.586 22.787 -25.486 1.0 34.42 ? 53 A 7 +ATOM 799 C CD . LYS A 1 53 ? -10.872 21.446 -25.474 1.0 44.0 ? 53 A 7 +ATOM 800 C CE . LYS A 1 53 ? -9.693 21.434 -26.435 1.0 75.53 ? 53 A 7 +ATOM 801 N NZ . LYS A 1 53 ? -8.392 21.354 -25.715 1.0 61.53 ? 53 A 7 +ATOM 802 H H . LYS A 1 53 ? -14.094 23.472 -25.073 1.0 32.12 ? 53 A 7 +ATOM 803 H HA . LYS A 1 53 ? -14.036 22.91 -27.935 1.0 74.23 ? 53 A 7 +ATOM 804 H HB2 . LYS A 1 53 ? -11.618 22.573 -27.597 1.0 34.02 ? 53 A 7 +ATOM 805 H HB3 . LYS A 1 53 ? -12.154 24.144 -27.017 1.0 32.22 ? 53 A 7 +ATOM 806 H HG2 . LYS A 1 53 ? -10.874 23.564 -25.25 1.0 24.24 ? 53 A 7 +ATOM 807 H HG3 . LYS A 1 53 ? -12.369 22.775 -24.741 1.0 53.0 ? 53 A 7 +ATOM 808 H HD2 . LYS A 1 53 ? -10.511 21.25 -24.476 1.0 22.42 ? 53 A 7 +ATOM 809 H HD3 . LYS A 1 53 ? -11.571 20.674 -25.764 1.0 0.05 ? 53 A 7 +ATOM 810 H HE2 . LYS A 1 53 ? -9.787 20.579 -27.087 1.0 25.2 ? 53 A 7 +ATOM 811 H HE3 . LYS A 1 53 ? -9.716 22.339 -27.023 1.0 75.24 ? 53 A 7 +ATOM 812 H HZ1 . LYS A 1 53 ? -7.676 20.903 -26.319 1.0 1.33 ? 53 A 7 +ATOM 813 H HZ2 . LYS A 1 53 ? -8.499 20.795 -24.845 1.0 14.14 ? 53 A 7 +ATOM 814 H HZ3 . LYS A 1 53 ? -8.065 22.308 -25.462 1.0 31.25 ? 53 A 7 +ATOM 815 N N . GLN A 1 54 ? -13.702 20.414 -27.96 1.0 32.1 ? 54 A 7 +ATOM 816 C CA . GLN A 1 54 ? -13.774 18.958 -27.966 1.0 3.14 ? 54 A 7 +ATOM 817 C C . GLN A 1 54 ? -12.476 18.347 -27.448 1.0 14.5 ? 54 A 7 +ATOM 818 O O . GLN A 1 54 ? -11.445 19.018 -27.38 1.0 22.04 ? 54 A 7 +ATOM 819 C CB . GLN A 1 54 ? -14.065 18.446 -29.377 1.0 14.03 ? 54 A 7 +ATOM 820 C CG . GLN A 1 54 ? -15.501 17.987 -29.574 1.0 52.41 ? 54 A 7 +ATOM 821 C CD . GLN A 1 54 ? -16.46 19.142 -29.778 1.0 44.23 ? 54 A 7 +ATOM 822 O OE1 . GLN A 1 54 ? -16.198 20.266 -29.348 1.0 25.33 ? 54 A 7 +ATOM 823 N NE2 . GLN A 1 54 ? -17.58 18.872 -30.439 1.0 63.1 ? 54 A 7 +ATOM 824 H H . GLN A 1 54 ? -13.62 20.892 -28.812 1.0 52.11 ? 54 A 7 +ATOM 825 H HA . GLN A 1 54 ? -14.581 18.664 -27.312 1.0 62.04 ? 54 A 7 +ATOM 826 H HB2 . GLN A 1 54 ? -13.863 19.237 -30.083 1.0 31.24 ? 54 A 7 +ATOM 827 H HB3 . GLN A 1 54 ? -13.412 17.612 -29.587 1.0 25.42 ? 54 A 7 +ATOM 828 H HG2 . GLN A 1 54 ? -15.545 17.345 -30.441 1.0 52.11 ? 54 A 7 +ATOM 829 H HG3 . GLN A 1 54 ? -15.81 17.431 -28.7 1.0 53.52 ? 54 A 7 +ATOM 830 H HE21 . GLN A 1 54 ? -17.723 17.954 -30.752 1.0 45.55 ? 54 A 7 +ATOM 831 H HE22 . GLN A 1 54 ? -18.219 19.6 -30.585 1.0 62.42 ? 54 A 7 +ATOM 832 N N . LEU A 1 55 ? -12.533 17.071 -27.084 1.0 51.34 ? 55 A 7 +ATOM 833 C CA . LEU A 1 55 ? -11.361 16.369 -26.571 1.0 40.45 ? 55 A 7 +ATOM 834 C C . LEU A 1 55 ? -10.943 15.246 -27.515 1.0 63.5 ? 55 A 7 +ATOM 835 O O . LEU A 1 55 ? -11.757 14.401 -27.887 1.0 52.11 ? 55 A 7 +ATOM 836 C CB . LEU A 1 55 ? -11.65 15.8 -25.181 1.0 25.03 ? 55 A 7 +ATOM 837 C CG . LEU A 1 55 ? -12.203 16.789 -24.153 1.0 41.33 ? 55 A 7 +ATOM 838 C CD1 . LEU A 1 55 ? -12.328 16.127 -22.79 1.0 33.24 ? 55 A 7 +ATOM 839 C CD2 . LEU A 1 55 ? -11.318 18.023 -24.071 1.0 52.23 ? 55 A 7 +ATOM 840 H H . LEU A 1 55 ? -13.382 16.589 -27.16 1.0 12.34 ? 55 A 7 +ATOM 841 H HA . LEU A 1 55 ? -10.553 17.081 -26.499 1.0 22.21 ? 55 A 7 +ATOM 842 H HB2 . LEU A 1 55 ? -12.369 15.003 -25.292 1.0 55.1 ? 55 A 7 +ATOM 843 H HB3 . LEU A 1 55 ? -10.726 15.398 -24.79 1.0 51.11 ? 55 A 7 +ATOM 844 H HG . LEU A 1 55 ? -13.191 17.104 -24.462 1.0 72.12 ? 55 A 7 +ATOM 845 H HD11 . LEU A 1 55 ? -12.198 16.869 -22.017 1.0 32.04 ? 55 A 7 +ATOM 846 H HD12 . LEU A 1 55 ? -11.569 15.365 -22.689 1.0 44.35 ? 55 A 7 +ATOM 847 H HD13 . LEU A 1 55 ? -13.305 15.676 -22.696 1.0 32.21 ? 55 A 7 +ATOM 848 H HD21 . LEU A 1 55 ? -10.339 17.741 -23.712 1.0 33.14 ? 55 A 7 +ATOM 849 H HD22 . LEU A 1 55 ? -11.759 18.737 -23.391 1.0 72.01 ? 55 A 7 +ATOM 850 H HD23 . LEU A 1 55 ? -11.228 18.468 -25.051 1.0 74.33 ? 55 A 7 +ATOM 851 N N . GLU A 1 56 ? -9.67 15.243 -27.897 1.0 12.02 ? 56 A 7 +ATOM 852 C CA . GLU A 1 56 ? -9.145 14.223 -28.796 1.0 31.33 ? 56 A 7 +ATOM 853 C C . GLU A 1 56 ? -9.161 12.85 -28.131 1.0 62.51 ? 56 A 7 +ATOM 854 O O . GLU A 1 56 ? -9.572 12.712 -26.978 1.0 51.02 ? 56 A 7 +ATOM 855 C CB . GLU A 1 56 ? -7.719 14.576 -29.227 1.0 62.01 ? 56 A 7 +ATOM 856 C CG . GLU A 1 56 ? -7.578 15.991 -29.762 1.0 21.02 ? 56 A 7 +ATOM 857 C CD . GLU A 1 56 ? -6.163 16.307 -30.207 1.0 1.0 ? 56 A 7 +ATOM 858 O OE1 . GLU A 1 56 ? -5.31 15.396 -30.161 1.0 61.34 ? 56 A 7 +ATOM 859 O OE2 . GLU A 1 56 ? -5.909 17.465 -30.599 1.0 22.01 ? 56 A 7 +ATOM 860 H H . GLU A 1 56 ? -9.07 15.944 -27.566 1.0 72.43 ? 56 A 7 +ATOM 861 H HA . GLU A 1 56 ? -9.778 14.194 -29.67 1.0 4.21 ? 56 A 7 +ATOM 862 H HB2 . GLU A 1 56 ? -7.062 14.467 -28.377 1.0 41.11 ? 56 A 7 +ATOM 863 H HB3 . GLU A 1 56 ? -7.41 13.888 -30.0 1.0 51.02 ? 56 A 7 +ATOM 864 H HG2 . GLU A 1 56 ? -8.239 16.11 -30.607 1.0 71.31 ? 56 A 7 +ATOM 865 H HG3 . GLU A 1 56 ? -7.859 16.686 -28.985 1.0 60.44 ? 56 A 7 +ATOM 866 N N . ASP A 1 57 ? -8.713 11.838 -28.865 1.0 71.03 ? 57 A 7 +ATOM 867 C CA . ASP A 1 57 ? -8.676 10.475 -28.346 1.0 63.41 ? 57 A 7 +ATOM 868 C C . ASP A 1 57 ? -7.57 10.319 -27.307 1.0 21.4 ? 57 A 7 +ATOM 869 O O . ASP A 1 57 ? -7.608 9.412 -26.476 1.0 43.31 ? 57 A 7 +ATOM 870 C CB . ASP A 1 57 ? -8.465 9.478 -29.487 1.0 45.31 ? 57 A 7 +ATOM 871 C CG . ASP A 1 57 ? -9.215 9.871 -30.745 1.0 55.43 ? 57 A 7 +ATOM 872 O OD1 . ASP A 1 57 ? -10.337 10.405 -30.624 1.0 72.35 ? 57 A 7 +ATOM 873 O OD2 . ASP A 1 57 ? -8.68 9.644 -31.851 1.0 15.11 ? 57 A 7 +ATOM 874 H H . ASP A 1 57 ? -8.399 12.011 -29.777 1.0 23.12 ? 57 A 7 +ATOM 875 H HA . ASP A 1 57 ? -9.626 10.273 -27.875 1.0 62.14 ? 57 A 7 +ATOM 876 H HB2 . ASP A 1 57 ? -7.411 9.426 -29.721 1.0 24.44 ? 57 A 7 +ATOM 877 H HB3 . ASP A 1 57 ? -8.809 8.504 -29.173 1.0 64.03 ? 57 A 7 +ATOM 878 N N . SER A 1 58 ? -6.584 11.209 -27.361 1.0 32.51 ? 58 A 7 +ATOM 879 C CA . SER A 1 58 ? -5.465 11.168 -26.428 1.0 62.24 ? 58 A 7 +ATOM 880 C C . SER A 1 58 ? -5.519 12.346 -25.46 1.0 2.12 ? 58 A 7 +ATOM 881 O O . SER A 1 58 ? -4.624 12.53 -24.638 1.0 12.21 ? 58 A 7 +ATOM 882 C CB . SER A 1 58 ? -4.138 11.179 -27.189 1.0 65.11 ? 58 A 7 +ATOM 883 O OG . SER A 1 58 ? -3.052 10.886 -26.327 1.0 34.21 ? 58 A 7 +ATOM 884 H H . SER A 1 58 ? -6.61 11.909 -28.047 1.0 21.03 ? 58 A 7 +ATOM 885 H HA . SER A 1 58 ? -5.538 10.25 -25.863 1.0 33.55 ? 58 A 7 +ATOM 886 H HB2 . SER A 1 58 ? -4.169 10.439 -27.973 1.0 31.42 ? 58 A 7 +ATOM 887 H HB3 . SER A 1 58 ? -3.984 12.157 -27.623 1.0 40.4 ? 58 A 7 +ATOM 888 H HG . SER A 1 58 ? -2.424 10.321 -26.783 1.0 10.23 ? 58 A 7 +ATOM 889 N N . ASN A 1 59 ? -6.578 13.142 -25.567 1.0 35.41 ? 59 A 7 +ATOM 890 C CA . ASN A 1 59 ? -6.751 14.304 -24.703 1.0 52.34 ? 59 A 7 +ATOM 891 C C . ASN A 1 59 ? -7.307 13.893 -23.343 1.0 4.01 ? 59 A 7 +ATOM 892 O O . ASN A 1 59 ? -8.517 13.919 -23.122 1.0 42.21 ? 59 A 7 +ATOM 893 C CB . ASN A 1 59 ? -7.686 15.321 -25.361 1.0 21.1 ? 59 A 7 +ATOM 894 C CG . ASN A 1 59 ? -7.249 16.752 -25.114 1.0 14.54 ? 59 A 7 +ATOM 895 O OD1 . ASN A 1 59 ? -6.06 17.032 -24.963 1.0 24.42 ? 59 A 7 +ATOM 896 N ND2 . ASN A 1 59 ? -8.211 17.666 -25.073 1.0 14.44 ? 59 A 7 +ATOM 897 H H . ASN A 1 59 ? -7.26 12.944 -26.243 1.0 5.51 ? 59 A 7 +ATOM 898 H HA . ASN A 1 59 ? -5.782 14.758 -24.56 1.0 74.51 ? 59 A 7 +ATOM 899 H HB2 . ASN A 1 59 ? -7.701 15.149 -26.428 1.0 43.43 ? 59 A 7 +ATOM 900 H HB3 . ASN A 1 59 ? -8.682 15.195 -24.966 1.0 11.21 ? 59 A 7 +ATOM 901 H HD21 . ASN A 1 59 ? -9.137 17.37 -25.202 1.0 21.33 ? 59 A 7 +ATOM 902 H HD22 . ASN A 1 59 ? -7.957 18.599 -24.915 1.0 12.0 ? 59 A 7 +ATOM 903 N N . ALA A 1 60 ? -6.413 13.514 -22.435 1.0 13.11 ? 60 A 7 +ATOM 904 C CA . ALA A 1 60 ? -6.814 13.099 -21.096 1.0 35.51 ? 60 A 7 +ATOM 905 C C . ALA A 1 60 ? -5.596 12.807 -20.225 1.0 74.01 ? 60 A 7 +ATOM 906 O O . ALA A 1 60 ? -5.098 13.686 -19.523 1.0 74.24 ? 60 A 7 +ATOM 907 C CB . ALA A 1 60 ? -7.718 11.878 -21.169 1.0 64.13 ? 60 A 7 +ATOM 908 H H . ALA A 1 60 ? -5.462 13.514 -22.671 1.0 31.12 ? 60 A 7 +ATOM 909 H HA . ALA A 1 60 ? -7.376 13.907 -20.65 1.0 20.01 ? 60 A 7 +ATOM 910 H HB1 . ALA A 1 60 ? -7.261 11.131 -21.802 1.0 72.33 ? 60 A 7 +ATOM 911 H HB2 . ALA A 1 60 ? -7.859 11.475 -20.178 1.0 25.02 ? 60 A 7 +ATOM 912 H HB3 . ALA A 1 60 ? -8.674 12.163 -21.582 1.0 51.02 ? 60 A 7 +ATOM 913 N N . MET A 1 61 ? -5.123 11.566 -20.275 1.0 21.52 ? 61 A 7 +ATOM 914 C CA . MET A 1 61 ? -3.964 11.158 -19.491 1.0 32.03 ? 61 A 7 +ATOM 915 C C . MET A 1 61 ? -2.798 12.118 -19.705 1.0 55.14 ? 61 A 7 +ATOM 916 O O . MET A 1 61 ? -2.227 12.64 -18.747 1.0 73.23 ? 61 A 7 +ATOM 917 C CB . MET A 1 61 ? -3.543 9.735 -19.864 1.0 33.12 ? 61 A 7 +ATOM 918 C CG . MET A 1 61 ? -3.79 9.392 -21.324 1.0 10.31 ? 61 A 7 +ATOM 919 S SD . MET A 1 61 ? -2.48 8.374 -22.029 1.0 3.45 ? 61 A 7 +ATOM 920 C CE . MET A 1 61 ? -1.89 9.442 -23.341 1.0 11.34 ? 61 A 7 +ATOM 921 H H . MET A 1 61 ? -5.563 10.909 -20.854 1.0 44.35 ? 61 A 7 +ATOM 922 H HA . MET A 1 61 ? -4.245 11.179 -18.449 1.0 14.21 ? 61 A 7 +ATOM 923 H HB2 . MET A 1 61 ? -2.489 9.62 -19.663 1.0 14.23 ? 61 A 7 +ATOM 924 H HB3 . MET A 1 61 ? -4.097 9.037 -19.254 1.0 0.24 ? 61 A 7 +ATOM 925 H HG2 . MET A 1 61 ? -4.724 8.855 -21.401 1.0 62.14 ? 61 A 7 +ATOM 926 H HG3 . MET A 1 61 ? -3.858 10.31 -21.889 1.0 32.0 ? 61 A 7 +ATOM 927 H HE1 . MET A 1 61 ? -1.615 8.842 -24.196 1.0 54.23 ? 61 A 7 +ATOM 928 H HE2 . MET A 1 61 ? -2.671 10.132 -23.622 1.0 64.31 ? 61 A 7 +ATOM 929 H HE3 . MET A 1 61 ? -1.028 9.993 -22.995 1.0 24.11 ? 61 A 7 +ATOM 930 N N . SER A 1 62 ? -2.448 12.346 -20.967 1.0 73.15 ? 62 A 7 +ATOM 931 C CA . SER A 1 62 ? -1.348 13.24 -21.306 1.0 12.22 ? 62 A 7 +ATOM 932 C C . SER A 1 62 ? -1.765 14.699 -21.149 1.0 13.52 ? 62 A 7 +ATOM 933 O O . SER A 1 62 ? -0.953 15.553 -20.792 1.0 42.51 ? 62 A 7 +ATOM 934 C CB . SER A 1 62 ? -0.877 12.983 -22.739 1.0 62.33 ? 62 A 7 +ATOM 935 O OG . SER A 1 62 ? -0.353 14.164 -23.323 1.0 14.13 ? 62 A 7 +ATOM 936 H H . SER A 1 62 ? -2.942 11.9 -21.687 1.0 74.25 ? 62 A 7 +ATOM 937 H HA . SER A 1 62 ? -0.533 13.036 -20.627 1.0 74.15 ? 62 A 7 +ATOM 938 H HB2 . SER A 1 62 ? -0.107 12.227 -22.732 1.0 54.41 ? 62 A 7 +ATOM 939 H HB3 . SER A 1 62 ? -1.712 12.642 -23.333 1.0 23.45 ? 62 A 7 +ATOM 940 H HG . SER A 1 62 ? -0.832 14.36 -24.132 1.0 1.23 ? 62 A 7 +ATOM 941 N N . ASP A 1 63 ? -3.036 14.977 -21.419 1.0 34.33 ? 63 A 7 +ATOM 942 C CA . ASP A 1 63 ? -3.563 16.332 -21.308 1.0 10.21 ? 63 A 7 +ATOM 943 C C . ASP A 1 63 ? -3.346 16.885 -19.903 1.0 63.54 ? 63 A 7 +ATOM 944 O O . ASP A 1 63 ? -3.275 18.099 -19.707 1.0 31.33 ? 63 A 7 +ATOM 945 C CB . ASP A 1 63 ? -5.052 16.352 -21.654 1.0 21.1 ? 63 A 7 +ATOM 946 C CG . ASP A 1 63 ? -5.539 17.737 -22.033 1.0 12.2 ? 63 A 7 +ATOM 947 O OD1 . ASP A 1 63 ? -4.781 18.471 -22.702 1.0 53.24 ? 63 A 7 +ATOM 948 O OD2 . ASP A 1 63 ? -6.679 18.087 -21.662 1.0 3.13 ? 63 A 7 +ATOM 949 H H . ASP A 1 63 ? -3.634 14.252 -21.7 1.0 14.4 ? 63 A 7 +ATOM 950 H HA . ASP A 1 63 ? -3.031 16.954 -22.012 1.0 72.42 ? 63 A 7 +ATOM 951 H HB2 . ASP A 1 63 ? -5.231 15.688 -22.487 1.0 63.34 ? 63 A 7 +ATOM 952 H HB3 . ASP A 1 63 ? -5.618 16.012 -20.799 1.0 44.51 ? 63 A 7 +ATOM 953 N N . TYR A 1 64 ? -3.244 15.988 -18.929 1.0 43.15 ? 64 A 7 +ATOM 954 C CA . TYR A 1 64 ? -3.039 16.386 -17.541 1.0 74.44 ? 64 A 7 +ATOM 955 C C . TYR A 1 64 ? -4.328 16.935 -16.936 1.0 35.31 ? 64 A 7 +ATOM 956 O O . TYR A 1 64 ? -4.304 17.632 -15.923 1.0 63.11 ? 64 A 7 +ATOM 957 C CB . TYR A 1 64 ? -1.932 17.437 -17.448 1.0 41.31 ? 64 A 7 +ATOM 958 C CG . TYR A 1 64 ? -1.237 17.468 -16.106 1.0 35.31 ? 64 A 7 +ATOM 959 C CD1 . TYR A 1 64 ? -0.354 16.461 -15.736 1.0 10.21 ? 64 A 7 +ATOM 960 C CD2 . TYR A 1 64 ? -1.464 18.503 -15.207 1.0 61.0 ? 64 A 7 +ATOM 961 C CE1 . TYR A 1 64 ? 0.283 16.484 -14.51 1.0 31.32 ? 64 A 7 +ATOM 962 C CE2 . TYR A 1 64 ? -0.831 18.535 -13.98 1.0 3.01 ? 64 A 7 +ATOM 963 C CZ . TYR A 1 64 ? 0.041 17.523 -13.636 1.0 35.43 ? 64 A 7 +ATOM 964 O OH . TYR A 1 64 ? 0.673 17.551 -12.413 1.0 23.32 ? 64 A 7 +ATOM 965 H H . TYR A 1 64 ? -3.309 15.035 -19.147 1.0 10.22 ? 64 A 7 +ATOM 966 H HA . TYR A 1 64 ? -2.738 15.51 -16.985 1.0 40.51 ? 64 A 7 +ATOM 967 H HB2 . TYR A 1 64 ? -1.187 17.233 -18.202 1.0 75.32 ? 64 A 7 +ATOM 968 H HB3 . TYR A 1 64 ? -2.357 18.415 -17.625 1.0 32.34 ? 64 A 7 +ATOM 969 H HD1 . TYR A 1 64 ? -0.167 15.648 -16.422 1.0 1.35 ? 64 A 7 +ATOM 970 H HD2 . TYR A 1 64 ? -2.148 19.293 -15.48 1.0 32.41 ? 64 A 7 +ATOM 971 H HE1 . TYR A 1 64 ? 0.966 15.692 -14.24 1.0 52.21 ? 64 A 7 +ATOM 972 H HE2 . TYR A 1 64 ? -1.02 19.348 -13.295 1.0 43.14 ? 64 A 7 +ATOM 973 H HH . TYR A 1 64 ? 0.885 18.458 -12.184 1.0 23.33 ? 64 A 7 +ATOM 974 N N . ASN A 1 65 ? -5.453 16.613 -17.566 1.0 61.21 ? 65 A 7 +ATOM 975 C CA . ASN A 1 65 ? -6.753 17.072 -17.091 1.0 70.22 ? 65 A 7 +ATOM 976 C C . ASN A 1 65 ? -7.554 15.918 -16.495 1.0 21.44 ? 65 A 7 +ATOM 977 O O . ASN A 1 65 ? -8.765 16.022 -16.304 1.0 22.24 ? 65 A 7 +ATOM 978 C CB . ASN A 1 65 ? -7.54 17.716 -18.235 1.0 30.31 ? 65 A 7 +ATOM 979 C CG . ASN A 1 65 ? -8.783 18.435 -17.749 1.0 75.23 ? 65 A 7 +ATOM 980 O OD1 . ASN A 1 65 ? -8.722 19.248 -16.827 1.0 74.2 ? 65 A 7 +ATOM 981 N ND2 . ASN A 1 65 ? -9.919 18.139 -18.37 1.0 12.4 ? 65 A 7 +ATOM 982 H H . ASN A 1 65 ? -5.409 16.053 -18.369 1.0 72.01 ? 65 A 7 +ATOM 983 H HA . ASN A 1 65 ? -6.583 17.811 -16.323 1.0 43.44 ? 65 A 7 +ATOM 984 H HB2 . ASN A 1 65 ? -6.907 18.431 -18.74 1.0 12.24 ? 65 A 7 +ATOM 985 H HB3 . ASN A 1 65 ? -7.839 16.949 -18.934 1.0 73.02 ? 65 A 7 +ATOM 986 H HD21 . ASN A 1 65 ? -9.891 17.481 -19.097 1.0 23.44 ? 65 A 7 +ATOM 987 H HD22 . ASN A 1 65 ? -10.737 18.59 -18.077 1.0 32.24 ? 65 A 7 +ATOM 988 N N . VAL A 1 66 ? -6.868 14.818 -16.203 1.0 11.4 ? 66 A 7 +ATOM 989 C CA . VAL A 1 66 ? -7.513 13.644 -15.628 1.0 70.45 ? 66 A 7 +ATOM 990 C C . VAL A 1 66 ? -7.239 13.544 -14.131 1.0 73.11 ? 66 A 7 +ATOM 991 O O . VAL A 1 66 ? -6.303 12.868 -13.706 1.0 33.12 ? 66 A 7 +ATOM 992 C CB . VAL A 1 66 ? -7.038 12.349 -16.313 1.0 40.11 ? 66 A 7 +ATOM 993 C CG1 . VAL A 1 66 ? -5.519 12.302 -16.371 1.0 32.21 ? 66 A 7 +ATOM 994 C CG2 . VAL A 1 66 ? -7.591 11.13 -15.59 1.0 25.13 ? 66 A 7 +ATOM 995 H H . VAL A 1 66 ? -5.904 14.795 -16.379 1.0 25.31 ? 66 A 7 +ATOM 996 H HA . VAL A 1 66 ? -8.578 13.739 -15.783 1.0 44.24 ? 66 A 7 +ATOM 997 H HB . VAL A 1 66 ? -7.415 12.342 -17.325 1.0 65.05 ? 66 A 7 +ATOM 998 H HG11 . VAL A 1 66 ? -5.189 12.562 -17.365 1.0 62.5 ? 66 A 7 +ATOM 999 H HG12 . VAL A 1 66 ? -5.109 13.003 -15.658 1.0 4.5 ? 66 A 7 +ATOM 1000 H HG13 . VAL A 1 66 ? -5.181 11.304 -16.129 1.0 12.32 ? 66 A 7 +ATOM 1001 H HG21 . VAL A 1 66 ? -6.871 10.785 -14.863 1.0 23.4 ? 66 A 7 +ATOM 1002 H HG22 . VAL A 1 66 ? -8.51 11.396 -15.088 1.0 64.2 ? 66 A 7 +ATOM 1003 H HG23 . VAL A 1 66 ? -7.786 10.344 -16.305 1.0 74.31 ? 66 A 7 +ATOM 1004 N N . GLN A 1 67 ? -8.062 14.222 -13.338 1.0 5.43 ? 67 A 7 +ATOM 1005 C CA . GLN A 1 67 ? -7.907 14.21 -11.888 1.0 15.5 ? 67 A 7 +ATOM 1006 C C . GLN A 1 67 ? -8.802 13.151 -11.254 1.0 62.54 ? 67 A 7 +ATOM 1007 O O . GLN A 1 67 ? -9.491 12.405 -11.952 1.0 44.01 ? 67 A 7 +ATOM 1008 C CB . GLN A 1 67 ? -8.235 15.586 -11.307 1.0 35.11 ? 67 A 7 +ATOM 1009 C CG . GLN A 1 67 ? -9.607 16.104 -11.708 1.0 11.21 ? 67 A 7 +ATOM 1010 C CD . GLN A 1 67 ? -9.947 17.427 -11.049 1.0 34.44 ? 67 A 7 +ATOM 1011 O OE1 . GLN A 1 67 ? -9.556 17.685 -9.91 1.0 41.54 ? 67 A 7 +ATOM 1012 N NE2 . GLN A 1 67 ? -10.679 18.274 -11.764 1.0 50.51 ? 67 A 7 +ATOM 1013 H H . GLN A 1 67 ? -8.789 14.743 -13.736 1.0 54.23 ? 67 A 7 +ATOM 1014 H HA . GLN A 1 67 ? -6.877 13.972 -11.667 1.0 21.13 ? 67 A 7 +ATOM 1015 H HB2 . GLN A 1 67 ? -8.197 15.528 -10.23 1.0 61.05 ? 67 A 7 +ATOM 1016 H HB3 . GLN A 1 67 ? -7.494 16.294 -11.648 1.0 21.05 ? 67 A 7 +ATOM 1017 H HG2 . GLN A 1 67 ? -9.629 16.238 -12.779 1.0 63.24 ? 67 A 7 +ATOM 1018 H HG3 . GLN A 1 67 ? -10.35 15.375 -11.422 1.0 63.02 ? 67 A 7 +ATOM 1019 H HE21 . GLN A 1 67 ? -10.956 18.0 -12.664 1.0 0.12 ? 67 A 7 +ATOM 1020 H HE22 . GLN A 1 67 ? -10.913 19.135 -11.362 1.0 72.41 ? 67 A 7 +ATOM 1021 N N . LYS A 1 68 ? -8.789 13.089 -9.927 1.0 63.33 ? 68 A 7 +ATOM 1022 C CA . LYS A 1 68 ? -9.6 12.121 -9.197 1.0 34.0 ? 68 A 7 +ATOM 1023 C C . LYS A 1 68 ? -11.083 12.33 -9.483 1.0 33.21 ? 68 A 7 +ATOM 1024 O O . LYS A 1 68 ? -11.866 11.38 -9.472 1.0 33.01 ? 68 A 7 +ATOM 1025 C CB . LYS A 1 68 ? -9.338 12.236 -7.694 1.0 41.41 ? 68 A 7 +ATOM 1026 C CG . LYS A 1 68 ? -9.867 11.059 -6.892 1.0 61.44 ? 68 A 7 +ATOM 1027 C CD . LYS A 1 68 ? -9.097 9.785 -7.198 1.0 43.41 ? 68 A 7 +ATOM 1028 C CE . LYS A 1 68 ? -7.779 9.736 -6.44 1.0 23.43 ? 68 A 7 +ATOM 1029 N NZ . LYS A 1 68 ? -7.985 9.777 -4.965 1.0 52.05 ? 68 A 7 +ATOM 1030 H H . LYS A 1 68 ? -8.219 13.71 -9.425 1.0 75.53 ? 68 A 7 +ATOM 1031 H HA . LYS A 1 68 ? -9.317 11.134 -9.529 1.0 31.4 ? 68 A 7 +ATOM 1032 H HB2 . LYS A 1 68 ? -8.272 12.306 -7.53 1.0 51.5 ? 68 A 7 +ATOM 1033 H HB3 . LYS A 1 68 ? -9.809 13.136 -7.326 1.0 62.4 ? 68 A 7 +ATOM 1034 H HG2 . LYS A 1 68 ? -9.773 11.28 -5.84 1.0 22.33 ? 68 A 7 +ATOM 1035 H HG3 . LYS A 1 68 ? -10.908 10.907 -7.138 1.0 45.02 ? 68 A 7 +ATOM 1036 H HD2 . LYS A 1 68 ? -9.696 8.935 -6.91 1.0 14.2 ? 68 A 7 +ATOM 1037 H HD3 . LYS A 1 68 ? -8.894 9.743 -8.258 1.0 13.53 ? 68 A 7 +ATOM 1038 H HE2 . LYS A 1 68 ? -7.265 8.823 -6.697 1.0 43.13 ? 68 A 7 +ATOM 1039 H HE3 . LYS A 1 68 ? -7.177 10.583 -6.734 1.0 63.42 ? 68 A 7 +ATOM 1040 H HZ1 . LYS A 1 68 ? -7.624 10.672 -4.579 1.0 1.54 ? 68 A 7 +ATOM 1041 H HZ2 . LYS A 1 68 ? -7.481 8.988 -4.512 1.0 73.32 ? 68 A 7 +ATOM 1042 H HZ3 . LYS A 1 68 ? -8.998 9.699 -4.744 1.0 23.44 ? 68 A 7 +ATOM 1043 N N . GLU A 1 69 ? -11.463 13.578 -9.738 1.0 51.1 ? 69 A 7 +ATOM 1044 C CA . GLU A 1 69 ? -12.853 13.91 -10.027 1.0 15.41 ? 69 A 7 +ATOM 1045 C C . GLU A 1 69 ? -12.942 15.1 -10.978 1.0 20.25 ? 69 A 7 +ATOM 1046 O O . GLU A 1 69 ? -13.22 16.223 -10.559 1.0 55.15 ? 69 A 7 +ATOM 1047 C CB . GLU A 1 69 ? -13.606 14.22 -8.732 1.0 42.14 ? 69 A 7 +ATOM 1048 C CG . GLU A 1 69 ? -12.851 15.149 -7.796 1.0 32.44 ? 69 A 7 +ATOM 1049 C CD . GLU A 1 69 ? -13.776 16.009 -6.957 1.0 60.3 ? 69 A 7 +ATOM 1050 O OE1 . GLU A 1 69 ? -14.421 16.914 -7.526 1.0 52.11 ? 69 A 7 +ATOM 1051 O OE2 . GLU A 1 69 ? -13.853 15.778 -5.732 1.0 33.22 ? 69 A 7 +ATOM 1052 H H . GLU A 1 69 ? -10.792 14.293 -9.732 1.0 51.55 ? 69 A 7 +ATOM 1053 H HA . GLU A 1 69 ? -13.307 13.052 -10.5 1.0 21.13 ? 69 A 7 +ATOM 1054 H HB2 . GLU A 1 69 ? -14.55 14.682 -8.981 1.0 70.35 ? 69 A 7 +ATOM 1055 H HB3 . GLU A 1 69 ? -13.796 13.294 -8.21 1.0 25.14 ? 69 A 7 +ATOM 1056 H HG2 . GLU A 1 69 ? -12.24 14.554 -7.135 1.0 60.54 ? 69 A 7 +ATOM 1057 H HG3 . GLU A 1 69 ? -12.218 15.796 -8.385 1.0 2.43 ? 69 A 7 +ATOM 1058 N N . SER A 1 70 ? -12.704 14.844 -12.261 1.0 51.41 ? 70 A 7 +ATOM 1059 C CA . SER A 1 70 ? -12.753 15.894 -13.271 1.0 50.24 ? 70 A 7 +ATOM 1060 C C . SER A 1 70 ? -14.137 15.971 -13.909 1.0 72.1 ? 70 A 7 +ATOM 1061 O O . SER A 1 70 ? -14.682 14.963 -14.36 1.0 13.02 ? 70 A 7 +ATOM 1062 C CB . SER A 1 70 ? -11.696 15.645 -14.348 1.0 75.43 ? 70 A 7 +ATOM 1063 O OG . SER A 1 70 ? -11.012 16.841 -14.679 1.0 45.33 ? 70 A 7 +ATOM 1064 H H . SER A 1 70 ? -12.488 13.928 -12.533 1.0 42.55 ? 70 A 7 +ATOM 1065 H HA . SER A 1 70 ? -12.542 16.834 -12.783 1.0 61.25 ? 70 A 7 +ATOM 1066 H HB2 . SER A 1 70 ? -10.979 14.924 -13.985 1.0 1.23 ? 70 A 7 +ATOM 1067 H HB3 . SER A 1 70 ? -12.175 15.26 -15.237 1.0 50.33 ? 70 A 7 +ATOM 1068 H HG . SER A 1 70 ? -11.646 17.504 -14.962 1.0 14.24 ? 70 A 7 +ATOM 1069 N N . THR A 1 71 ? -14.701 17.174 -13.942 1.0 52.55 ? 71 A 7 +ATOM 1070 C CA . THR A 1 71 ? -16.021 17.384 -14.523 1.0 43.33 ? 71 A 7 +ATOM 1071 C C . THR A 1 71 ? -15.918 17.806 -15.984 1.0 63.44 ? 71 A 7 +ATOM 1072 O O . THR A 1 71 ? -15.306 18.826 -16.305 1.0 13.52 ? 71 A 7 +ATOM 1073 C CB . THR A 1 71 ? -16.813 18.452 -13.746 1.0 4.41 ? 71 A 7 +ATOM 1074 O OG1 . THR A 1 71 ? -15.94 19.514 -13.344 1.0 4.41 ? 71 A 7 +ATOM 1075 C CG2 . THR A 1 71 ? -17.48 17.846 -12.52 1.0 4.35 ? 71 A 7 +ATOM 1076 H H . THR A 1 71 ? -14.216 17.938 -13.567 1.0 14.04 ? 71 A 7 +ATOM 1077 H HA . THR A 1 71 ? -16.563 16.451 -14.465 1.0 24.13 ? 71 A 7 +ATOM 1078 H HB . THR A 1 71 ? -17.58 18.852 -14.394 1.0 70.41 ? 71 A 7 +ATOM 1079 H HG1 . THR A 1 71 ? -16.393 20.079 -12.714 1.0 53.11 ? 71 A 7 +ATOM 1080 H HG21 . THR A 1 71 ? -18.462 17.486 -12.787 1.0 12.42 ? 71 A 7 +ATOM 1081 H HG22 . THR A 1 71 ? -17.57 18.598 -11.75 1.0 75.2 ? 71 A 7 +ATOM 1082 H HG23 . THR A 1 71 ? -16.882 17.025 -12.154 1.0 31.12 ? 71 A 7 +ATOM 1083 N N . LEU A 1 72 ? -16.521 17.018 -16.867 1.0 74.32 ? 72 A 7 +ATOM 1084 C CA . LEU A 1 72 ? -16.498 17.311 -18.296 1.0 62.12 ? 72 A 7 +ATOM 1085 C C . LEU A 1 72 ? -17.891 17.172 -18.902 1.0 14.1 ? 72 A 7 +ATOM 1086 O O . LEU A 1 72 ? -18.724 16.415 -18.404 1.0 22.33 ? 72 A 7 +ATOM 1087 C CB . LEU A 1 72 ? -15.522 16.376 -19.012 1.0 54.24 ? 72 A 7 +ATOM 1088 C CG . LEU A 1 72 ? -16.108 15.064 -19.534 1.0 12.34 ? 72 A 7 +ATOM 1089 C CD1 . LEU A 1 72 ? -16.482 15.192 -21.002 1.0 71.53 ? 72 A 7 +ATOM 1090 C CD2 . LEU A 1 72 ? -15.124 13.921 -19.329 1.0 45.31 ? 72 A 7 +ATOM 1091 H H . LEU A 1 72 ? -16.993 16.219 -16.551 1.0 40.44 ? 72 A 7 +ATOM 1092 H HA . LEU A 1 72 ? -16.165 18.33 -18.419 1.0 22.23 ? 72 A 7 +ATOM 1093 H HB2 . LEU A 1 72 ? -15.11 16.911 -19.854 1.0 24.33 ? 72 A 7 +ATOM 1094 H HB3 . LEU A 1 72 ? -14.729 16.134 -18.319 1.0 64.44 ? 72 A 7 +ATOM 1095 H HG . LEU A 1 72 ? -17.009 14.835 -18.98 1.0 60.22 ? 72 A 7 +ATOM 1096 H HD11 . LEU A 1 72 ? -15.907 15.988 -21.451 1.0 22.12 ? 72 A 7 +ATOM 1097 H HD12 . LEU A 1 72 ? -17.535 15.416 -21.088 1.0 11.12 ? 72 A 7 +ATOM 1098 H HD13 . LEU A 1 72 ? -16.269 14.263 -21.51 1.0 74.11 ? 72 A 7 +ATOM 1099 H HD21 . LEU A 1 72 ? -15.403 13.089 -19.958 1.0 45.11 ? 72 A 7 +ATOM 1100 H HD22 . LEU A 1 72 ? -15.142 13.613 -18.294 1.0 64.51 ? 72 A 7 +ATOM 1101 H HD23 . LEU A 1 72 ? -14.129 14.253 -19.589 1.0 15.53 ? 72 A 7 +ATOM 1102 N N . HIS A 1 73 ? -18.136 17.906 -19.983 1.0 22.1 ? 73 A 7 +ATOM 1103 C CA . HIS A 1 73 ? -19.427 17.863 -20.66 1.0 43.22 ? 73 A 7 +ATOM 1104 C C . HIS A 1 73 ? -19.386 16.905 -21.846 1.0 1.12 ? 73 A 7 +ATOM 1105 O O . HIS A 1 73 ? -18.591 17.078 -22.771 1.0 41.41 ? 73 A 7 +ATOM 1106 C CB . HIS A 1 73 ? -19.826 19.262 -21.132 1.0 34.11 ? 73 A 7 +ATOM 1107 C CG . HIS A 1 73 ? -20.201 20.187 -20.016 1.0 25.31 ? 73 A 7 +ATOM 1108 N ND1 . HIS A 1 73 ? -21.267 21.058 -20.087 1.0 22.31 ? 73 A 7 +ATOM 1109 C CD2 . HIS A 1 73 ? -19.646 20.372 -18.795 1.0 30.12 ? 73 A 7 +ATOM 1110 C CE1 . HIS A 1 73 ? -21.351 21.741 -18.959 1.0 74.03 ? 73 A 7 +ATOM 1111 N NE2 . HIS A 1 73 ? -20.379 21.343 -18.158 1.0 22.32 ? 73 A 7 +ATOM 1112 H H . HIS A 1 73 ? -17.432 18.491 -20.333 1.0 41.1 ? 73 A 7 +ATOM 1113 H HA . HIS A 1 73 ? -20.161 17.509 -19.952 1.0 23.25 ? 73 A 7 +ATOM 1114 H HB2 . HIS A 1 73 ? -18.997 19.704 -21.665 1.0 51.13 ? 73 A 7 +ATOM 1115 H HB3 . HIS A 1 73 ? -20.674 19.182 -21.797 1.0 64.13 ? 73 A 7 +ATOM 1116 H HD1 . HIS A 1 73 ? -21.872 21.162 -20.851 1.0 63.31 ? 73 A 7 +ATOM 1117 H HD2 . HIS A 1 73 ? -18.786 19.853 -18.396 1.0 71.43 ? 73 A 7 +ATOM 1118 H HE1 . HIS A 1 73 ? -22.088 22.495 -18.729 1.0 3.34 ? 73 A 7 +ATOM 1119 N N . LEU A 1 74 ? -20.248 15.894 -21.814 1.0 31.4 ? 74 A 7 +ATOM 1120 C CA . LEU A 1 74 ? -20.31 14.907 -22.886 1.0 41.22 ? 74 A 7 +ATOM 1121 C C . LEU A 1 74 ? -21.574 15.089 -23.721 1.0 21.0 ? 74 A 7 +ATOM 1122 O O . LEU A 1 74 ? -22.689 14.964 -23.214 1.0 70.53 ? 74 A 7 +ATOM 1123 C CB . LEU A 1 74 ? -20.267 13.492 -22.307 1.0 42.32 ? 74 A 7 +ATOM 1124 C CG . LEU A 1 74 ? -20.883 12.393 -23.174 1.0 13.02 ? 74 A 7 +ATOM 1125 C CD1 . LEU A 1 74 ? -20.164 12.301 -24.51 1.0 50.12 ? 74 A 7 +ATOM 1126 C CD2 . LEU A 1 74 ? -20.84 11.056 -22.449 1.0 22.4 ? 74 A 7 +ATOM 1127 H H . LEU A 1 74 ? -20.856 15.808 -21.051 1.0 53.04 ? 74 A 7 +ATOM 1128 H HA . LEU A 1 74 ? -19.449 15.053 -23.522 1.0 65.43 ? 74 A 7 +ATOM 1129 H HB2 . LEU A 1 74 ? -19.233 13.236 -22.135 1.0 22.02 ? 74 A 7 +ATOM 1130 H HB3 . LEU A 1 74 ? -20.795 13.506 -21.364 1.0 20.31 ? 74 A 7 +ATOM 1131 H HG . LEU A 1 74 ? -21.919 12.635 -23.369 1.0 34.12 ? 74 A 7 +ATOM 1132 H HD11 . LEU A 1 74 ? -20.154 11.274 -24.843 1.0 33.01 ? 74 A 7 +ATOM 1133 H HD12 . LEU A 1 74 ? -19.149 12.653 -24.398 1.0 1.34 ? 74 A 7 +ATOM 1134 H HD13 . LEU A 1 74 ? -20.678 12.912 -25.238 1.0 63.14 ? 74 A 7 +ATOM 1135 H HD21 . LEU A 1 74 ? -19.828 10.681 -22.445 1.0 12.32 ? 74 A 7 +ATOM 1136 H HD22 . LEU A 1 74 ? -21.483 10.351 -22.956 1.0 54.43 ? 74 A 7 +ATOM 1137 H HD23 . LEU A 1 74 ? -21.181 11.186 -21.432 1.0 14.02 ? 74 A 7 +ATOM 1138 N N . VAL A 1 75 ? -21.392 15.384 -25.004 1.0 43.5 ? 75 A 7 +ATOM 1139 C CA . VAL A 1 75 ? -22.517 15.58 -25.911 1.0 52.32 ? 75 A 7 +ATOM 1140 C C . VAL A 1 75 ? -22.567 14.483 -26.969 1.0 61.15 ? 75 A 7 +ATOM 1141 O O . VAL A 1 75 ? -21.555 14.156 -27.589 1.0 54.31 ? 75 A 7 +ATOM 1142 C CB . VAL A 1 75 ? -22.442 16.95 -26.61 1.0 24.5 ? 75 A 7 +ATOM 1143 C CG1 . VAL A 1 75 ? -23.649 17.156 -27.513 1.0 55.3 ? 75 A 7 +ATOM 1144 C CG2 . VAL A 1 75 ? -22.337 18.067 -25.583 1.0 64.14 ? 75 A 7 +ATOM 1145 H H . VAL A 1 75 ? -20.479 15.471 -25.35 1.0 70.11 ? 75 A 7 +ATOM 1146 H HA . VAL A 1 75 ? -23.425 15.546 -25.327 1.0 60.52 ? 75 A 7 +ATOM 1147 H HB . VAL A 1 75 ? -21.553 16.97 -27.224 1.0 44.41 ? 75 A 7 +ATOM 1148 H HG11 . VAL A 1 75 ? -23.85 18.213 -27.609 1.0 31.54 ? 75 A 7 +ATOM 1149 H HG12 . VAL A 1 75 ? -23.446 16.736 -28.487 1.0 61.34 ? 75 A 7 +ATOM 1150 H HG13 . VAL A 1 75 ? -24.509 16.665 -27.081 1.0 54.52 ? 75 A 7 +ATOM 1151 H HG21 . VAL A 1 75 ? -22.289 17.642 -24.592 1.0 5.24 ? 75 A 7 +ATOM 1152 H HG22 . VAL A 1 75 ? -21.446 18.646 -25.772 1.0 61.35 ? 75 A 7 +ATOM 1153 H HG23 . VAL A 1 75 ? -23.205 18.708 -25.658 1.0 24.43 ? 75 A 7 +ATOM 1154 N N . LEU A 1 76 ? -23.753 13.919 -27.171 1.0 35.1 ? 76 A 7 +ATOM 1155 C CA . LEU A 1 76 ? -23.937 12.858 -28.155 1.0 22.53 ? 76 A 7 +ATOM 1156 C C . LEU A 1 76 ? -24.901 13.295 -29.253 1.0 2.14 ? 76 A 7 +ATOM 1157 O O . LEU A 1 76 ? -25.926 13.921 -28.98 1.0 21.5 ? 76 A 7 +ATOM 1158 C CB . LEU A 1 76 ? -24.46 11.591 -27.477 1.0 73.12 ? 76 A 7 +ATOM 1159 C CG . LEU A 1 76 ? -24.23 11.493 -25.968 1.0 64.45 ? 76 A 7 +ATOM 1160 C CD1 . LEU A 1 76 ? -25.42 12.059 -25.21 1.0 24.13 ? 76 A 7 +ATOM 1161 C CD2 . LEU A 1 76 ? -23.972 10.05 -25.56 1.0 22.03 ? 76 A 7 +ATOM 1162 H H . LEU A 1 76 ? -24.523 14.221 -26.647 1.0 44.32 ? 76 A 7 +ATOM 1163 H HA . LEU A 1 76 ? -22.975 12.648 -28.6 1.0 53.04 ? 76 A 7 +ATOM 1164 H HB2 . LEU A 1 76 ? -25.523 11.536 -27.653 1.0 71.31 ? 76 A 7 +ATOM 1165 H HB3 . LEU A 1 76 ? -23.975 10.744 -27.942 1.0 62.14 ? 76 A 7 +ATOM 1166 H HG . LEU A 1 76 ? -23.359 12.077 -25.705 1.0 42.11 ? 76 A 7 +ATOM 1167 H HD11 . LEU A 1 76 ? -25.415 11.682 -24.198 1.0 12.14 ? 76 A 7 +ATOM 1168 H HD12 . LEU A 1 76 ? -26.335 11.761 -25.7 1.0 23.21 ? 76 A 7 +ATOM 1169 H HD13 . LEU A 1 76 ? -25.357 13.137 -25.193 1.0 40.2 ? 76 A 7 +ATOM 1170 H HD21 . LEU A 1 76 ? -24.557 9.814 -24.684 1.0 53.24 ? 76 A 7 +ATOM 1171 H HD22 . LEU A 1 76 ? -22.923 9.922 -25.339 1.0 72.02 ? 76 A 7 +ATOM 1172 H HD23 . LEU A 1 76 ? -24.252 9.392 -26.37 1.0 63.4 ? 76 A 7 +ATOM 1173 N N . ARG A 1 77 ? -24.567 12.961 -30.495 1.0 50.44 ? 77 A 7 +ATOM 1174 C CA . ARG A 1 77 ? -25.404 13.318 -31.634 1.0 12.4 ? 77 A 7 +ATOM 1175 C C . ARG A 1 77 ? -26.52 12.297 -31.83 1.0 10.32 ? 77 A 7 +ATOM 1176 O O . ARG A 1 77 ? -26.672 11.727 -32.912 1.0 12.43 ? 77 A 7 +ATOM 1177 C CB . ARG A 1 77 ? -24.558 13.415 -32.905 1.0 55.35 ? 77 A 7 +ATOM 1178 C CG . ARG A 1 77 ? -23.165 13.976 -32.669 1.0 12.22 ? 77 A 7 +ATOM 1179 C CD . ARG A 1 77 ? -23.216 15.296 -31.916 1.0 60.22 ? 77 A 7 +ATOM 1180 N NE . ARG A 1 77 ? -24.244 16.188 -32.445 1.0 64.33 ? 77 A 7 +ATOM 1181 C CZ . ARG A 1 77 ? -24.098 16.9 -33.557 1.0 13.31 ? 77 A 7 +ATOM 1182 N NH1 . ARG A 1 77 ? -22.972 16.825 -34.253 1.0 63.3 ? 77 A 7 +ATOM 1183 N NH2 . ARG A 1 77 ? -25.079 17.69 -33.974 1.0 70.54 ? 77 A 7 +ATOM 1184 H H . ARG A 1 77 ? -23.737 12.462 -30.65 1.0 2.41 ? 77 A 7 +ATOM 1185 H HA . ARG A 1 77 ? -25.845 14.283 -31.432 1.0 53.23 ? 77 A 7 +ATOM 1186 H HB2 . ARG A 1 77 ? -24.456 12.428 -33.333 1.0 41.04 ? 77 A 7 +ATOM 1187 H HB3 . ARG A 1 77 ? -25.064 14.054 -33.613 1.0 23.23 ? 77 A 7 +ATOM 1188 H HG2 . ARG A 1 77 ? -22.594 13.265 -32.089 1.0 3.21 ? 77 A 7 +ATOM 1189 H HG3 . ARG A 1 77 ? -22.684 14.133 -33.623 1.0 45.32 ? 77 A 7 +ATOM 1190 H HD2 . ARG A 1 77 ? -23.429 15.094 -30.877 1.0 24.22 ? 77 A 7 +ATOM 1191 H HD3 . ARG A 1 77 ? -22.255 15.78 -31.999 1.0 55.12 ? 77 A 7 +ATOM 1192 H HE . ARG A 1 77 ? -25.084 16.259 -31.946 1.0 41.44 ? 77 A 7 +ATOM 1193 H HH11 . ARG A 1 77 ? -22.232 16.23 -33.941 1.0 31.24 ? 77 A 7 +ATOM 1194 H HH12 . ARG A 1 77 ? -22.865 17.361 -35.091 1.0 72.5 ? 77 A 7 +ATOM 1195 H HH21 . ARG A 1 77 ? -25.929 17.749 -33.452 1.0 71.34 ? 77 A 7 +ATOM 1196 H HH22 . ARG A 1 77 ? -24.968 18.225 -34.811 1.0 1.44 ? 77 A 7 +ATOM 1197 N N . LEU A 1 78 ? -27.299 12.07 -30.778 1.0 31.03 ? 78 A 7 +ATOM 1198 C CA . LEU A 1 78 ? -28.402 11.118 -30.834 1.0 51.32 ? 78 A 7 +ATOM 1199 C C . LEU A 1 78 ? -29.675 11.787 -31.342 1.0 14.11 ? 78 A 7 +ATOM 1200 O O . LEU A 1 78 ? -30.289 11.325 -32.304 1.0 12.31 ? 78 A 7 +ATOM 1201 C CB . LEU A 1 78 ? -28.649 10.512 -29.451 1.0 42.51 ? 78 A 7 +ATOM 1202 C CG . LEU A 1 78 ? -27.889 9.222 -29.138 1.0 51.45 ? 78 A 7 +ATOM 1203 C CD1 . LEU A 1 78 ? -26.397 9.414 -29.359 1.0 14.44 ? 78 A 7 +ATOM 1204 C CD2 . LEU A 1 78 ? -28.165 8.774 -27.71 1.0 25.32 ? 78 A 7 +ATOM 1205 H H . LEU A 1 78 ? -27.129 12.555 -29.944 1.0 75.31 ? 78 A 7 +ATOM 1206 H HA . LEU A 1 78 ? -28.125 10.33 -31.518 1.0 64.2 ? 78 A 7 +ATOM 1207 H HB2 . LEU A 1 78 ? -28.368 11.248 -28.713 1.0 61.14 ? 78 A 7 +ATOM 1208 H HB3 . LEU A 1 78 ? -29.706 10.304 -29.365 1.0 62.32 ? 78 A 7 +ATOM 1209 H HG . LEU A 1 78 ? -28.228 8.442 -29.806 1.0 53.42 ? 78 A 7 +ATOM 1210 H HD11 . LEU A 1 78 ? -25.848 8.811 -28.652 1.0 3.24 ? 78 A 7 +ATOM 1211 H HD12 . LEU A 1 78 ? -26.143 10.454 -29.219 1.0 74.14 ? 78 A 7 +ATOM 1212 H HD13 . LEU A 1 78 ? -26.141 9.114 -30.365 1.0 11.41 ? 78 A 7 +ATOM 1213 H HD21 . LEU A 1 78 ? -28.539 9.609 -27.136 1.0 65.32 ? 78 A 7 +ATOM 1214 H HD22 . LEU A 1 78 ? -27.251 8.41 -27.264 1.0 65.43 ? 78 A 7 +ATOM 1215 H HD23 . LEU A 1 78 ? -28.901 7.983 -27.717 1.0 34.04 ? 78 A 7 +ATOM 1216 N N . ARG A 1 79 ? -30.064 12.879 -30.692 1.0 44.5 ? 79 A 7 +ATOM 1217 C CA . ARG A 1 79 ? -31.263 13.612 -31.079 1.0 54.44 ? 79 A 7 +ATOM 1218 C C . ARG A 1 79 ? -32.505 12.739 -30.932 1.0 43.43 ? 79 A 7 +ATOM 1219 O O . ARG A 1 79 ? -33.389 12.75 -31.788 1.0 24.23 ? 79 A 7 +ATOM 1220 C CB . ARG A 1 79 ? -31.141 14.106 -32.522 1.0 53.1 ? 79 A 7 +ATOM 1221 C CG . ARG A 1 79 ? -32.179 15.15 -32.899 1.0 62.42 ? 79 A 7 +ATOM 1222 C CD . ARG A 1 79 ? -31.555 16.528 -33.047 1.0 15.2 ? 79 A 7 +ATOM 1223 N NE . ARG A 1 79 ? -31.466 16.942 -34.445 1.0 22.21 ? 79 A 7 +ATOM 1224 C CZ . ARG A 1 79 ? -31.287 18.201 -34.829 1.0 43.33 ? 79 A 7 +ATOM 1225 N NH1 . ARG A 1 79 ? -31.177 19.164 -33.924 1.0 51.34 ? 79 A 7 +ATOM 1226 N NH2 . ARG A 1 79 ? -31.216 18.498 -36.12 1.0 24.34 ? 79 A 7 +ATOM 1227 H H . ARG A 1 79 ? -29.532 13.198 -29.933 1.0 30.43 ? 79 A 7 +ATOM 1228 H HA . ARG A 1 79 ? -31.356 14.465 -30.423 1.0 75.12 ? 79 A 7 +ATOM 1229 H HB2 . ARG A 1 79 ? -30.161 14.538 -32.661 1.0 72.51 ? 79 A 7 +ATOM 1230 H HB3 . ARG A 1 79 ? -31.251 13.263 -33.188 1.0 62.3 ? 79 A 7 +ATOM 1231 H HG2 . ARG A 1 79 ? -32.633 14.87 -33.838 1.0 34.21 ? 79 A 7 +ATOM 1232 H HG3 . ARG A 1 79 ? -32.934 15.187 -32.128 1.0 51.44 ? 79 A 7 +ATOM 1233 H HD2 . ARG A 1 79 ? -32.159 17.242 -32.508 1.0 21.42 ? 79 A 7 +ATOM 1234 H HD3 . ARG A 1 79 ? -30.561 16.506 -32.624 1.0 24.22 ? 79 A 7 +ATOM 1235 H HE . ARG A 1 79 ? -31.544 16.246 -35.13 1.0 63.2 ? 79 A 7 +ATOM 1236 H HH11 . ARG A 1 79 ? -31.229 18.943 -32.951 1.0 0.03 ? 79 A 7 +ATOM 1237 H HH12 . ARG A 1 79 ? -31.041 20.111 -34.216 1.0 54.33 ? 79 A 7 +ATOM 1238 H HH21 . ARG A 1 79 ? -31.298 17.774 -36.805 1.0 72.3 ? 79 A 7 +ATOM 1239 H HH22 . ARG A 1 79 ? -31.082 19.446 -36.408 1.0 2.44 ? 79 A 7 +ATOM 1240 N N . GLY A 1 80 ? -32.566 11.983 -29.84 1.0 11.03 ? 80 A 7 +ATOM 1241 C CA . GLY A 1 80 ? -33.703 11.115 -29.601 1.0 3.12 ? 80 A 7 +ATOM 1242 C C . GLY A 1 80 ? -33.571 10.328 -28.312 1.0 52.34 ? 80 A 7 +ATOM 1243 O O . GLY A 1 80 ? -34.547 10.143 -27.586 1.0 43.44 ? 80 A 7 +ATOM 1244 H H . GLY A 1 80 ? -31.832 12.016 -29.191 1.0 0.24 ? 80 A 7 +ATOM 1245 H HA2 . GLY A 1 80 ? -34.598 11.717 -29.553 1.0 71.24 ? 80 A 7 +ATOM 1246 H HA3 . GLY A 1 80 ? -33.792 10.422 -30.424 1.0 43.14 ? 80 A 7 +ATOM 1247 N N . GLY A 1 81 ? -32.359 9.861 -28.027 1.0 43.34 ? 81 A 7 +ATOM 1248 C CA . GLY A 1 81 ? -32.126 9.093 -26.818 1.0 20.2 ? 81 A 7 +ATOM 1249 C C . GLY A 1 81 ? -31.794 7.642 -27.107 1.0 63.23 ? 81 A 7 +ATOM 1250 O O . GLY A 1 81 ? -31.766 7.223 -28.264 1.0 30.24 ? 81 A 7 +ATOM 1251 H H . GLY A 1 81 ? -31.618 10.039 -28.643 1.0 11.33 ? 81 A 7 +ATOM 1252 H HA2 . GLY A 1 81 ? -31.305 9.537 -26.275 1.0 30.51 ? 81 A 7 +ATOM 1253 H HA3 . GLY A 1 81 ? -33.014 9.131 -26.204 1.0 55.14 ? 81 A 7 +ATOM 1254 N N . VAL A 1 82 ? -31.541 6.873 -26.053 1.0 30.52 ? 82 A 7 +ATOM 1255 C CA . VAL A 1 82 ? -31.209 5.461 -26.199 1.0 4.45 ? 82 A 7 +ATOM 1256 C C . VAL A 1 82 ? -32.332 4.702 -26.899 1.0 63.52 ? 82 A 7 +ATOM 1257 O O . VAL A 1 82 ? -33.308 5.298 -27.353 1.0 12.52 ? 82 A 7 +ATOM 1258 C CB . VAL A 1 82 ? -30.935 4.804 -24.833 1.0 53.54 ? 82 A 7 +ATOM 1259 C CG1 . VAL A 1 82 ? -29.684 5.395 -24.199 1.0 33.31 ? 82 A 7 +ATOM 1260 C CG2 . VAL A 1 82 ? -32.136 4.966 -23.914 1.0 1.13 ? 82 A 7 +ATOM 1261 H H . VAL A 1 82 ? -31.58 7.264 -25.156 1.0 42.11 ? 82 A 7 +ATOM 1262 H HA . VAL A 1 82 ? -30.312 5.389 -26.797 1.0 65.12 ? 82 A 7 +ATOM 1263 H HB . VAL A 1 82 ? -30.768 3.749 -24.991 1.0 3.02 ? 82 A 7 +ATOM 1264 H HG11 . VAL A 1 82 ? -29.66 6.46 -24.376 1.0 71.54 ? 82 A 7 +ATOM 1265 H HG12 . VAL A 1 82 ? -29.696 5.205 -23.136 1.0 43.52 ? 82 A 7 +ATOM 1266 H HG13 . VAL A 1 82 ? -28.809 4.938 -24.637 1.0 60.31 ? 82 A 7 +ATOM 1267 H HG21 . VAL A 1 82 ? -31.939 4.472 -22.974 1.0 51.1 ? 82 A 7 +ATOM 1268 H HG22 . VAL A 1 82 ? -32.316 6.016 -23.739 1.0 43.42 ? 82 A 7 +ATOM 1269 H HG23 . VAL A 1 82 ? -33.006 4.524 -24.377 1.0 61.21 ? 82 A 7 +ATOM 1 N N . GLY A 1 1 ? -14.994 2.906 -5.788 1.0 13.0 ? 1 A 8 +ATOM 2 C CA . GLY A 1 1 ? -13.766 2.647 -6.517 1.0 45.03 ? 1 A 8 +ATOM 3 C C . GLY A 1 1 ? -12.638 2.195 -5.61 1.0 65.21 ? 1 A 8 +ATOM 4 O O . GLY A 1 1 ? -11.701 2.943 -5.33 1.0 33.34 ? 1 A 8 +ATOM 5 H H1 . GLY A 1 1 ? -15.137 3.779 -5.367 1.0 52.4 ? 1 A 8 +ATOM 6 H HA2 . GLY A 1 1 ? -13.952 1.879 -7.253 1.0 14.15 ? 1 A 8 +ATOM 7 H HA3 . GLY A 1 1 ? -13.464 3.552 -7.023 1.0 34.23 ? 1 A 8 +ATOM 8 N N . PRO A 1 2 ? -12.721 0.945 -5.133 1.0 55.32 ? 2 A 8 +ATOM 9 C CA . PRO A 1 2 ? -11.708 0.367 -4.245 1.0 21.43 ? 2 A 8 +ATOM 10 C C . PRO A 1 2 ? -10.387 0.11 -4.961 1.0 41.45 ? 2 A 8 +ATOM 11 O O . PRO A 1 2 ? -9.331 0.037 -4.331 1.0 62.42 ? 2 A 8 +ATOM 12 C CB . PRO A 1 2 ? -12.34 -0.954 -3.799 1.0 51.45 ? 2 A 8 +ATOM 13 C CG . PRO A 1 2 ? -13.29 -1.308 -4.89 1.0 43.11 ? 2 A 8 +ATOM 14 C CD . PRO A 1 2 ? -13.81 -0.002 -5.425 1.0 64.14 ? 2 A 8 +ATOM 15 H HA . PRO A 1 2 ? -11.533 0.993 -3.383 1.0 31.54 ? 2 A 8 +ATOM 16 H HB2 . PRO A 1 2 ? -11.57 -1.704 -3.686 1.0 42.4 ? 2 A 8 +ATOM 17 H HB3 . PRO A 1 2 ? -12.853 -0.813 -2.859 1.0 62.54 ? 2 A 8 +ATOM 18 H HG2 . PRO A 1 2 ? -12.772 -1.851 -5.666 1.0 3.22 ? 2 A 8 +ATOM 19 H HG3 . PRO A 1 2 ? -14.101 -1.9 -4.493 1.0 51.14 ? 2 A 8 +ATOM 20 H HD2 . PRO A 1 2 ? -13.985 -0.073 -6.489 1.0 11.0 ? 2 A 8 +ATOM 21 H HD3 . PRO A 1 2 ? -14.716 0.282 -4.91 1.0 24.12 ? 2 A 8 +ATOM 22 N N . LEU A 1 3 ? -10.452 -0.026 -6.281 1.0 34.12 ? 3 A 8 +ATOM 23 C CA . LEU A 1 3 ? -9.26 -0.274 -7.084 1.0 54.03 ? 3 A 8 +ATOM 24 C C . LEU A 1 3 ? -9.241 0.619 -8.321 1.0 63.21 ? 3 A 8 +ATOM 25 O O . LEU A 1 3 ? -10.205 0.659 -9.085 1.0 11.24 ? 3 A 8 +ATOM 26 C CB . LEU A 1 3 ? -9.199 -1.744 -7.501 1.0 60.12 ? 3 A 8 +ATOM 27 C CG . LEU A 1 3 ? -7.97 -2.162 -8.311 1.0 64.13 ? 3 A 8 +ATOM 28 C CD1 . LEU A 1 3 ? -6.911 -2.765 -7.402 1.0 62.25 ? 3 A 8 +ATOM 29 C CD2 . LEU A 1 3 ? -8.361 -3.146 -9.404 1.0 0.12 ? 3 A 8 +ATOM 30 H H . LEU A 1 3 ? -11.322 0.042 -6.727 1.0 52.35 ? 3 A 8 +ATOM 31 H HA . LEU A 1 3 ? -8.397 -0.044 -6.477 1.0 43.13 ? 3 A 8 +ATOM 32 H HB2 . LEU A 1 3 ? -9.222 -2.343 -6.604 1.0 74.24 ? 3 A 8 +ATOM 33 H HB3 . LEU A 1 3 ? -10.076 -1.955 -8.096 1.0 72.41 ? 3 A 8 +ATOM 34 H HG . LEU A 1 3 ? -7.545 -1.287 -8.784 1.0 43.5 ? 3 A 8 +ATOM 35 H HD11 . LEU A 1 3 ? -6.884 -3.835 -7.541 1.0 50.45 ? 3 A 8 +ATOM 36 H HD12 . LEU A 1 3 ? -7.151 -2.541 -6.373 1.0 4.34 ? 3 A 8 +ATOM 37 H HD13 . LEU A 1 3 ? -5.946 -2.345 -7.646 1.0 54.42 ? 3 A 8 +ATOM 38 H HD21 . LEU A 1 3 ? -7.497 -3.375 -10.008 1.0 23.33 ? 3 A 8 +ATOM 39 H HD22 . LEU A 1 3 ? -9.13 -2.709 -10.024 1.0 1.01 ? 3 A 8 +ATOM 40 H HD23 . LEU A 1 3 ? -8.737 -4.054 -8.953 1.0 75.24 ? 3 A 8 +ATOM 41 N N . GLY A 1 4 ? -8.135 1.332 -8.514 1.0 4.21 ? 4 A 8 +ATOM 42 C CA . GLY A 1 4 ? -8.011 2.212 -9.661 1.0 43.34 ? 4 A 8 +ATOM 43 C C . GLY A 1 4 ? -7.108 3.398 -9.386 1.0 32.24 ? 4 A 8 +ATOM 44 O O . GLY A 1 4 ? -6.836 3.725 -8.231 1.0 73.31 ? 4 A 8 +ATOM 45 H H . GLY A 1 4 ? -7.398 1.259 -7.872 1.0 2.13 ? 4 A 8 +ATOM 46 H HA2 . GLY A 1 4 ? -7.607 1.65 -10.49 1.0 53.5 ? 4 A 8 +ATOM 47 H HA3 . GLY A 1 4 ? -8.992 2.576 -9.929 1.0 61.41 ? 4 A 8 +ATOM 48 N N . SER A 1 5 ? -6.642 4.044 -10.45 1.0 14.33 ? 5 A 8 +ATOM 49 C CA . SER A 1 5 ? -5.76 5.198 -10.318 1.0 12.42 ? 5 A 8 +ATOM 50 C C . SER A 1 5 ? -6.545 6.437 -9.898 1.0 43.22 ? 5 A 8 +ATOM 51 O O . SER A 1 5 ? -6.487 6.86 -8.744 1.0 33.52 ? 5 A 8 +ATOM 52 C CB . SER A 1 5 ? -5.032 5.464 -11.637 1.0 72.02 ? 5 A 8 +ATOM 53 O OG . SER A 1 5 ? -4.703 6.836 -11.77 1.0 21.35 ? 5 A 8 +ATOM 54 H H . SER A 1 5 ? -6.895 3.735 -11.345 1.0 31.12 ? 5 A 8 +ATOM 55 H HA . SER A 1 5 ? -5.031 4.972 -9.554 1.0 12.32 ? 5 A 8 +ATOM 56 H HB2 . SER A 1 5 ? -4.123 4.884 -11.667 1.0 41.01 ? 5 A 8 +ATOM 57 H HB3 . SER A 1 5 ? -5.67 5.177 -12.461 1.0 74.13 ? 5 A 8 +ATOM 58 H HG . SER A 1 5 ? -3.91 7.026 -11.264 1.0 33.45 ? 5 A 8 +ATOM 59 N N . MET A 1 6 ? -7.279 7.013 -10.844 1.0 14.01 ? 6 A 8 +ATOM 60 C CA . MET A 1 6 ? -8.077 8.203 -10.573 1.0 54.33 ? 6 A 8 +ATOM 61 C C . MET A 1 6 ? -9.509 8.021 -11.066 1.0 31.44 ? 6 A 8 +ATOM 62 O O . MET A 1 6 ? -9.881 6.945 -11.534 1.0 1.11 ? 6 A 8 +ATOM 63 C CB . MET A 1 6 ? -7.448 9.428 -11.24 1.0 70.21 ? 6 A 8 +ATOM 64 C CG . MET A 1 6 ? -7.524 9.4 -12.758 1.0 25.05 ? 6 A 8 +ATOM 65 S SD . MET A 1 6 ? -5.927 9.071 -13.527 1.0 3.44 ? 6 A 8 +ATOM 66 C CE . MET A 1 6 ? -4.948 10.416 -12.864 1.0 13.21 ? 6 A 8 +ATOM 67 H H . MET A 1 6 ? -7.284 6.63 -11.746 1.0 2.32 ? 6 A 8 +ATOM 68 H HA . MET A 1 6 ? -8.093 8.355 -9.504 1.0 5.22 ? 6 A 8 +ATOM 69 H HB2 . MET A 1 6 ? -7.958 10.314 -10.892 1.0 62.43 ? 6 A 8 +ATOM 70 H HB3 . MET A 1 6 ? -6.408 9.485 -10.954 1.0 63.34 ? 6 A 8 +ATOM 71 H HG2 . MET A 1 6 ? -8.217 8.628 -13.057 1.0 33.13 ? 6 A 8 +ATOM 72 H HG3 . MET A 1 6 ? -7.884 10.357 -13.104 1.0 12.41 ? 6 A 8 +ATOM 73 H HE1 . MET A 1 6 ? -4.068 10.556 -13.476 1.0 12.23 ? 6 A 8 +ATOM 74 H HE2 . MET A 1 6 ? -5.534 11.322 -12.863 1.0 52.54 ? 6 A 8 +ATOM 75 H HE3 . MET A 1 6 ? -4.649 10.179 -11.853 1.0 2.41 ? 6 A 8 +ATOM 76 N N . GLN A 1 7 ? -10.307 9.078 -10.956 1.0 13.12 ? 7 A 8 +ATOM 77 C CA . GLN A 1 7 ? -11.698 9.033 -11.39 1.0 13.2 ? 7 A 8 +ATOM 78 C C . GLN A 1 7 ? -12.086 10.319 -12.111 1.0 42.42 ? 7 A 8 +ATOM 79 O O . GLN A 1 7 ? -11.481 11.37 -11.895 1.0 71.33 ? 7 A 8 +ATOM 80 C CB . GLN A 1 7 ? -12.621 8.808 -10.191 1.0 42.01 ? 7 A 8 +ATOM 81 C CG . GLN A 1 7 ? -14.015 8.338 -10.576 1.0 12.34 ? 7 A 8 +ATOM 82 C CD . GLN A 1 7 ? -14.338 6.961 -10.029 1.0 44.31 ? 7 A 8 +ATOM 83 O OE1 . GLN A 1 7 ? -14.814 6.088 -10.756 1.0 33.44 ? 7 A 8 +ATOM 84 N NE2 . GLN A 1 7 ? -14.081 6.76 -8.742 1.0 73.32 ? 7 A 8 +ATOM 85 H H . GLN A 1 7 ? -9.952 9.907 -10.575 1.0 71.21 ? 7 A 8 +ATOM 86 H HA . GLN A 1 7 ? -11.805 8.205 -12.075 1.0 62.03 ? 7 A 8 +ATOM 87 H HB2 . GLN A 1 7 ? -12.179 8.063 -9.546 1.0 13.25 ? 7 A 8 +ATOM 88 H HB3 . GLN A 1 7 ? -12.716 9.735 -9.646 1.0 41.42 ? 7 A 8 +ATOM 89 H HG2 . GLN A 1 7 ? -14.738 9.041 -10.189 1.0 43.33 ? 7 A 8 +ATOM 90 H HG3 . GLN A 1 7 ? -14.086 8.307 -11.653 1.0 33.21 ? 7 A 8 +ATOM 91 H HE21 . GLN A 1 7 ? -13.703 7.502 -8.225 1.0 52.01 ? 7 A 8 +ATOM 92 H HE22 . GLN A 1 7 ? -14.281 5.88 -8.362 1.0 55.43 ? 7 A 8 +ATOM 93 N N . ILE A 1 8 ? -13.098 10.23 -12.968 1.0 12.12 ? 8 A 8 +ATOM 94 C CA . ILE A 1 8 ? -13.566 11.387 -13.72 1.0 64.2 ? 8 A 8 +ATOM 95 C C . ILE A 1 8 ? -15.09 11.435 -13.762 1.0 0.33 ? 8 A 8 +ATOM 96 O O . ILE A 1 8 ? -15.757 10.404 -13.682 1.0 11.35 ? 8 A 8 +ATOM 97 C CB . ILE A 1 8 ? -13.024 11.38 -15.161 1.0 65.34 ? 8 A 8 +ATOM 98 C CG1 . ILE A 1 8 ? -12.068 10.202 -15.363 1.0 72.33 ? 8 A 8 +ATOM 99 C CG2 . ILE A 1 8 ? -12.325 12.695 -15.471 1.0 55.24 ? 8 A 8 +ATOM 100 C CD1 . ILE A 1 8 ? -11.617 10.029 -16.796 1.0 11.02 ? 8 A 8 +ATOM 101 H H . ILE A 1 8 ? -13.54 9.365 -13.096 1.0 43.45 ? 8 A 8 +ATOM 102 H HA . ILE A 1 8 ? -13.203 12.276 -13.224 1.0 41.41 ? 8 A 8 +ATOM 103 H HB . ILE A 1 8 ? -13.859 11.276 -15.836 1.0 13.24 ? 8 A 8 +ATOM 104 H HG12 . ILE A 1 8 ? -11.189 10.352 -14.755 1.0 4.11 ? 8 A 8 +ATOM 105 H HG13 . ILE A 1 8 ? -12.561 9.291 -15.057 1.0 33.41 ? 8 A 8 +ATOM 106 H HG21 . ILE A 1 8 ? -13.064 13.453 -15.686 1.0 12.11 ? 8 A 8 +ATOM 107 H HG22 . ILE A 1 8 ? -11.737 13.0 -14.618 1.0 14.43 ? 8 A 8 +ATOM 108 H HG23 . ILE A 1 8 ? -11.68 12.568 -16.326 1.0 53.13 ? 8 A 8 +ATOM 109 H HD11 . ILE A 1 8 ? -11.908 10.896 -17.372 1.0 4.51 ? 8 A 8 +ATOM 110 H HD12 . ILE A 1 8 ? -10.542 9.924 -16.826 1.0 22.53 ? 8 A 8 +ATOM 111 H HD13 . ILE A 1 8 ? -12.078 9.148 -17.215 1.0 32.23 ? 8 A 8 +ATOM 112 N N . PHE A 1 9 ? -15.635 12.64 -13.892 1.0 44.42 ? 9 A 8 +ATOM 113 C CA . PHE A 1 9 ? -17.081 12.824 -13.946 1.0 45.42 ? 9 A 8 +ATOM 114 C C . PHE A 1 9 ? -17.524 13.234 -15.348 1.0 62.05 ? 9 A 8 +ATOM 115 O O . PHE A 1 9 ? -17.014 14.2 -15.915 1.0 33.13 ? 9 A 8 +ATOM 116 C CB . PHE A 1 9 ? -17.521 13.88 -12.931 1.0 42.3 ? 9 A 8 +ATOM 117 C CG . PHE A 1 9 ? -18.317 13.317 -11.788 1.0 44.44 ? 9 A 8 +ATOM 118 C CD1 . PHE A 1 9 ? -19.464 12.575 -12.024 1.0 24.21 ? 9 A 8 +ATOM 119 C CD2 . PHE A 1 9 ? -17.92 13.53 -10.478 1.0 24.11 ? 9 A 8 +ATOM 120 C CE1 . PHE A 1 9 ? -20.199 12.056 -10.975 1.0 54.33 ? 9 A 8 +ATOM 121 C CE2 . PHE A 1 9 ? -18.65 13.013 -9.425 1.0 62.43 ? 9 A 8 +ATOM 122 C CZ . PHE A 1 9 ? -19.792 12.276 -9.674 1.0 72.21 ? 9 A 8 +ATOM 123 H H . PHE A 1 9 ? -15.051 13.426 -13.951 1.0 15.35 ? 9 A 8 +ATOM 124 H HA . PHE A 1 9 ? -17.543 11.881 -13.697 1.0 72.15 ? 9 A 8 +ATOM 125 H HB2 . PHE A 1 9 ? -16.646 14.36 -12.52 1.0 13.22 ? 9 A 8 +ATOM 126 H HB3 . PHE A 1 9 ? -18.131 14.617 -13.43 1.0 20.44 ? 9 A 8 +ATOM 127 H HD1 . PHE A 1 9 ? -19.783 12.403 -13.042 1.0 63.23 ? 9 A 8 +ATOM 128 H HD2 . PHE A 1 9 ? -17.028 14.107 -10.282 1.0 43.5 ? 9 A 8 +ATOM 129 H HE1 . PHE A 1 9 ? -21.09 11.48 -11.173 1.0 53.21 ? 9 A 8 +ATOM 130 H HE2 . PHE A 1 9 ? -18.33 13.187 -8.408 1.0 61.25 ? 9 A 8 +ATOM 131 H HZ . PHE A 1 9 ? -20.364 11.87 -8.853 1.0 11.33 ? 9 A 8 +ATOM 132 N N . VAL A 1 10 ? -18.478 12.491 -15.901 1.0 35.51 ? 10 A 8 +ATOM 133 C CA . VAL A 1 10 ? -18.992 12.776 -17.235 1.0 51.35 ? 10 A 8 +ATOM 134 C C . VAL A 1 10 ? -20.446 13.232 -17.179 1.0 20.3 ? 10 A 8 +ATOM 135 O O . VAL A 1 10 ? -21.29 12.578 -16.566 1.0 33.54 ? 10 A 8 +ATOM 136 C CB . VAL A 1 10 ? -18.887 11.543 -18.152 1.0 1.24 ? 10 A 8 +ATOM 137 C CG1 . VAL A 1 10 ? -18.92 11.961 -19.615 1.0 43.55 ? 10 A 8 +ATOM 138 C CG2 . VAL A 1 10 ? -17.623 10.755 -17.843 1.0 70.41 ? 10 A 8 +ATOM 139 H H . VAL A 1 10 ? -18.846 11.734 -15.399 1.0 13.11 ? 10 A 8 +ATOM 140 H HA . VAL A 1 10 ? -18.393 13.568 -17.662 1.0 52.2 ? 10 A 8 +ATOM 141 H HB . VAL A 1 10 ? -19.739 10.906 -17.964 1.0 21.21 ? 10 A 8 +ATOM 142 H HG11 . VAL A 1 10 ? -18.491 11.177 -20.222 1.0 75.22 ? 10 A 8 +ATOM 143 H HG12 . VAL A 1 10 ? -19.942 12.135 -19.917 1.0 54.41 ? 10 A 8 +ATOM 144 H HG13 . VAL A 1 10 ? -18.347 12.868 -19.743 1.0 61.31 ? 10 A 8 +ATOM 145 H HG21 . VAL A 1 10 ? -17.239 10.318 -18.752 1.0 13.24 ? 10 A 8 +ATOM 146 H HG22 . VAL A 1 10 ? -16.882 11.417 -17.42 1.0 62.44 ? 10 A 8 +ATOM 147 H HG23 . VAL A 1 10 ? -17.852 9.972 -17.135 1.0 2.35 ? 10 A 8 +ATOM 148 N N . LYS A 1 11 ? -20.732 14.359 -17.822 1.0 23.3 ? 11 A 8 +ATOM 149 C CA . LYS A 1 11 ? -22.085 14.903 -17.848 1.0 10.31 ? 11 A 8 +ATOM 150 C C . LYS A 1 11 ? -22.72 14.717 -19.222 1.0 22.12 ? 11 A 8 +ATOM 151 O O . LYS A 1 11 ? -22.291 15.324 -20.204 1.0 63.21 ? 11 A 8 +ATOM 152 C CB . LYS A 1 11 ? -22.066 16.388 -17.48 1.0 34.41 ? 11 A 8 +ATOM 153 C CG . LYS A 1 11 ? -23.377 17.102 -17.763 1.0 63.11 ? 11 A 8 +ATOM 154 C CD . LYS A 1 11 ? -23.3 18.575 -17.399 1.0 3.15 ? 11 A 8 +ATOM 155 C CE . LYS A 1 11 ? -22.963 19.432 -18.609 1.0 2.52 ? 11 A 8 +ATOM 156 N NZ . LYS A 1 11 ? -23.086 20.885 -18.311 1.0 51.12 ? 11 A 8 +ATOM 157 H H . LYS A 1 11 ? -20.016 14.836 -18.293 1.0 4.15 ? 11 A 8 +ATOM 158 H HA . LYS A 1 11 ? -22.672 14.367 -17.118 1.0 44.21 ? 11 A 8 +ATOM 159 H HB2 . LYS A 1 11 ? -21.849 16.483 -16.426 1.0 75.01 ? 11 A 8 +ATOM 160 H HB3 . LYS A 1 11 ? -21.285 16.877 -18.045 1.0 15.43 ? 11 A 8 +ATOM 161 H HG2 . LYS A 1 11 ? -23.604 17.014 -18.815 1.0 73.24 ? 11 A 8 +ATOM 162 H HG3 . LYS A 1 11 ? -24.161 16.637 -17.183 1.0 30.03 ? 11 A 8 +ATOM 163 H HD2 . LYS A 1 11 ? -24.254 18.889 -17.004 1.0 63.51 ? 11 A 8 +ATOM 164 H HD3 . LYS A 1 11 ? -22.535 18.711 -16.647 1.0 61.22 ? 11 A 8 +ATOM 165 H HE2 . LYS A 1 11 ? -21.949 19.22 -18.913 1.0 70.24 ? 11 A 8 +ATOM 166 H HE3 . LYS A 1 11 ? -23.64 19.179 -19.412 1.0 3.13 ? 11 A 8 +ATOM 167 H HZ1 . LYS A 1 11 ? -23.942 21.064 -17.748 1.0 1.34 ? 11 A 8 +ATOM 168 H HZ2 . LYS A 1 11 ? -23.146 21.428 -19.197 1.0 61.44 ? 11 A 8 +ATOM 169 H HZ3 . LYS A 1 11 ? -22.256 21.211 -17.775 1.0 12.11 ? 11 A 8 +ATOM 170 N N . THR A 1 12 ? -23.746 13.874 -19.285 1.0 60.33 ? 12 A 8 +ATOM 171 C CA . THR A 1 12 ? -24.441 13.608 -20.539 1.0 63.11 ? 12 A 8 +ATOM 172 C C . THR A 1 12 ? -25.332 14.78 -20.933 1.0 63.2 ? 12 A 8 +ATOM 173 O O . THR A 1 12 ? -25.657 15.632 -20.104 1.0 23.14 ? 12 A 8 +ATOM 174 C CB . THR A 1 12 ? -25.3 12.333 -20.445 1.0 13.53 ? 12 A 8 +ATOM 175 O OG1 . THR A 1 12 ? -26.385 12.539 -19.534 1.0 44.22 ? 12 A 8 +ATOM 176 C CG2 . THR A 1 12 ? -24.464 11.149 -19.986 1.0 44.25 ? 12 A 8 +ATOM 177 H H . THR A 1 12 ? -24.041 13.42 -18.469 1.0 50.31 ? 12 A 8 +ATOM 178 H HA . THR A 1 12 ? -23.696 13.46 -21.308 1.0 15.31 ? 12 A 8 +ATOM 179 H HB . THR A 1 12 ? -25.7 12.114 -21.425 1.0 3.11 ? 12 A 8 +ATOM 180 H HG1 . THR A 1 12 ? -26.977 11.784 -19.564 1.0 54.01 ? 12 A 8 +ATOM 181 H HG21 . THR A 1 12 ? -23.417 11.372 -20.126 1.0 54.24 ? 12 A 8 +ATOM 182 H HG22 . THR A 1 12 ? -24.726 10.276 -20.565 1.0 51.32 ? 12 A 8 +ATOM 183 H HG23 . THR A 1 12 ? -24.654 10.958 -18.94 1.0 74.05 ? 12 A 8 +ATOM 184 N N . LEU A 1 13 ? -25.725 14.819 -22.201 1.0 74.21 ? 13 A 8 +ATOM 185 C CA . LEU A 1 13 ? -26.58 15.887 -22.705 1.0 74.52 ? 13 A 8 +ATOM 186 C C . LEU A 1 13 ? -27.897 15.939 -21.937 1.0 25.21 ? 13 A 8 +ATOM 187 O O . LEU A 1 13 ? -28.598 16.951 -21.951 1.0 11.35 ? 13 A 8 +ATOM 188 C CB . LEU A 1 13 ? -26.854 15.687 -24.197 1.0 31.51 ? 13 A 8 +ATOM 189 C CG . LEU A 1 13 ? -27.511 16.862 -24.922 1.0 30.32 ? 13 A 8 +ATOM 190 C CD1 . LEU A 1 13 ? -26.677 17.283 -26.122 1.0 44.31 ? 13 A 8 +ATOM 191 C CD2 . LEU A 1 13 ? -28.925 16.499 -25.354 1.0 64.01 ? 13 A 8 +ATOM 192 H H . LEU A 1 13 ? -25.433 14.112 -22.814 1.0 42.02 ? 13 A 8 +ATOM 193 H HA . LEU A 1 13 ? -26.059 16.823 -22.566 1.0 34.1 ? 13 A 8 +ATOM 194 H HB2 . LEU A 1 13 ? -25.911 15.485 -24.682 1.0 62.11 ? 13 A 8 +ATOM 195 H HB3 . LEU A 1 13 ? -27.502 14.828 -24.301 1.0 43.21 ? 13 A 8 +ATOM 196 H HG . LEU A 1 13 ? -27.573 17.705 -24.247 1.0 45.4 ? 13 A 8 +ATOM 197 H HD11 . LEU A 1 13 ? -26.822 18.336 -26.309 1.0 62.23 ? 13 A 8 +ATOM 198 H HD12 . LEU A 1 13 ? -26.983 16.717 -26.989 1.0 23.44 ? 13 A 8 +ATOM 199 H HD13 . LEU A 1 13 ? -25.633 17.093 -25.919 1.0 25.55 ? 13 A 8 +ATOM 200 H HD21 . LEU A 1 13 ? -29.312 15.727 -24.706 1.0 62.14 ? 13 A 8 +ATOM 201 H HD22 . LEU A 1 13 ? -28.908 16.14 -26.373 1.0 41.34 ? 13 A 8 +ATOM 202 H HD23 . LEU A 1 13 ? -29.556 17.373 -25.291 1.0 51.42 ? 13 A 8 +ATOM 203 N N . THR A 1 14 ? -28.227 14.841 -21.265 1.0 31.41 ? 14 A 8 +ATOM 204 C CA . THR A 1 14 ? -29.459 14.761 -20.49 1.0 30.33 ? 14 A 8 +ATOM 205 C C . THR A 1 14 ? -29.217 15.136 -19.032 1.0 22.13 ? 14 A 8 +ATOM 206 O O . THR A 1 14 ? -30.064 14.902 -18.171 1.0 5.31 ? 14 A 8 +ATOM 207 C CB . THR A 1 14 ? -30.069 13.348 -20.549 1.0 34.54 ? 14 A 8 +ATOM 208 O OG1 . THR A 1 14 ? -29.196 12.41 -19.91 1.0 3.22 ? 14 A 8 +ATOM 209 C CG2 . THR A 1 14 ? -30.312 12.923 -21.99 1.0 34.11 ? 14 A 8 +ATOM 210 H H . THR A 1 14 ? -27.627 14.066 -21.292 1.0 2.31 ? 14 A 8 +ATOM 211 H HA . THR A 1 14 ? -30.168 15.455 -20.917 1.0 25.44 ? 14 A 8 +ATOM 212 H HB . THR A 1 14 ? -31.016 13.359 -20.028 1.0 55.24 ? 14 A 8 +ATOM 213 H HG1 . THR A 1 14 ? -29.603 11.54 -19.914 1.0 24.42 ? 14 A 8 +ATOM 214 H HG21 . THR A 1 14 ? -29.537 12.238 -22.298 1.0 1.02 ? 14 A 8 +ATOM 215 H HG22 . THR A 1 14 ? -30.297 13.793 -22.629 1.0 12.23 ? 14 A 8 +ATOM 216 H HG23 . THR A 1 14 ? -31.273 12.437 -22.065 1.0 12.42 ? 14 A 8 +ATOM 217 N N . GLY A 1 15 ? -28.054 15.722 -18.762 1.0 61.2 ? 15 A 8 +ATOM 218 C CA . GLY A 1 15 ? -27.722 16.121 -17.407 1.0 25.44 ? 15 A 8 +ATOM 219 C C . GLY A 1 15 ? -27.572 14.936 -16.473 1.0 2.34 ? 15 A 8 +ATOM 220 O O . GLY A 1 15 ? -28.265 14.842 -15.46 1.0 24.03 ? 15 A 8 +ATOM 221 H H . GLY A 1 15 ? -27.416 15.884 -19.489 1.0 73.22 ? 15 A 8 +ATOM 222 H HA2 . GLY A 1 15 ? -26.794 16.673 -17.423 1.0 10.15 ? 15 A 8 +ATOM 223 H HA3 . GLY A 1 15 ? -28.504 16.764 -17.031 1.0 23.53 ? 15 A 8 +ATOM 224 N N . LYS A 1 16 ? -26.665 14.027 -16.815 1.0 11.21 ? 16 A 8 +ATOM 225 C CA . LYS A 1 16 ? -26.425 12.841 -16.001 1.0 34.13 ? 16 A 8 +ATOM 226 C C . LYS A 1 16 ? -24.968 12.772 -15.556 1.0 15.24 ? 16 A 8 +ATOM 227 O O . LYS A 1 16 ? -24.057 12.71 -16.383 1.0 50.04 ? 16 A 8 +ATOM 228 C CB . LYS A 1 16 ? -26.791 11.578 -16.784 1.0 31.42 ? 16 A 8 +ATOM 229 C CG . LYS A 1 16 ? -27.351 10.465 -15.915 1.0 73.35 ? 16 A 8 +ATOM 230 C CD . LYS A 1 16 ? -26.252 9.544 -15.412 1.0 50.3 ? 16 A 8 +ATOM 231 C CE . LYS A 1 16 ? -25.633 8.743 -16.547 1.0 52.44 ? 16 A 8 +ATOM 232 N NZ . LYS A 1 16 ? -25.993 7.301 -16.47 1.0 2.53 ? 16 A 8 +ATOM 233 H H . LYS A 1 16 ? -26.143 14.158 -17.635 1.0 52.54 ? 16 A 8 +ATOM 234 H HA . LYS A 1 16 ? -27.054 12.907 -15.126 1.0 34.34 ? 16 A 8 +ATOM 235 H HB2 . LYS A 1 16 ? -27.531 11.832 -17.528 1.0 44.24 ? 16 A 8 +ATOM 236 H HB3 . LYS A 1 16 ? -25.906 11.208 -17.28 1.0 12.13 ? 16 A 8 +ATOM 237 H HG2 . LYS A 1 16 ? -27.855 10.902 -15.066 1.0 3.41 ? 16 A 8 +ATOM 238 H HG3 . LYS A 1 16 ? -28.055 9.887 -16.496 1.0 74.14 ? 16 A 8 +ATOM 239 H HD2 . LYS A 1 16 ? -25.481 10.139 -14.944 1.0 63.23 ? 16 A 8 +ATOM 240 H HD3 . LYS A 1 16 ? -26.671 8.86 -14.687 1.0 14.51 ? 16 A 8 +ATOM 241 H HE2 . LYS A 1 16 ? -25.985 9.143 -17.486 1.0 44.12 ? 16 A 8 +ATOM 242 H HE3 . LYS A 1 16 ? -24.558 8.841 -16.495 1.0 75.31 ? 16 A 8 +ATOM 243 H HZ1 . LYS A 1 16 ? -25.461 6.84 -15.704 1.0 61.55 ? 16 A 8 +ATOM 244 H HZ2 . LYS A 1 16 ? -25.768 6.827 -17.368 1.0 23.15 ? 16 A 8 +ATOM 245 H HZ3 . LYS A 1 16 ? -27.01 7.196 -16.281 1.0 43.23 ? 16 A 8 +ATOM 246 N N . THR A 1 17 ? -24.753 12.781 -14.244 1.0 33.03 ? 17 A 8 +ATOM 247 C CA . THR A 1 17 ? -23.407 12.719 -13.689 1.0 61.21 ? 17 A 8 +ATOM 248 C C . THR A 1 17 ? -22.991 11.279 -13.416 1.0 13.11 ? 17 A 8 +ATOM 249 O O . THR A 1 17 ? -23.624 10.579 -12.625 1.0 32.24 ? 17 A 8 +ATOM 250 C CB . THR A 1 17 ? -23.3 13.529 -12.383 1.0 22.54 ? 17 A 8 +ATOM 251 O OG1 . THR A 1 17 ? -24.603 13.737 -11.827 1.0 24.32 ? 17 A 8 +ATOM 252 C CG2 . THR A 1 17 ? -22.629 14.871 -12.632 1.0 72.42 ? 17 A 8 +ATOM 253 H H . THR A 1 17 ? -25.52 12.832 -13.636 1.0 63.53 ? 17 A 8 +ATOM 254 H HA . THR A 1 17 ? -22.729 13.15 -14.411 1.0 15.15 ? 17 A 8 +ATOM 255 H HB . THR A 1 17 ? -22.702 12.969 -11.678 1.0 61.22 ? 17 A 8 +ATOM 256 H HG1 . THR A 1 17 ? -25.04 14.453 -12.295 1.0 54.0 ? 17 A 8 +ATOM 257 H HG21 . THR A 1 17 ? -22.925 15.569 -11.863 1.0 31.34 ? 17 A 8 +ATOM 258 H HG22 . THR A 1 17 ? -22.93 15.251 -13.597 1.0 12.24 ? 17 A 8 +ATOM 259 H HG23 . THR A 1 17 ? -21.557 14.746 -12.612 1.0 74.01 ? 17 A 8 +ATOM 260 N N . ILE A 1 18 ? -21.923 10.841 -14.076 1.0 21.15 ? 18 A 8 +ATOM 261 C CA . ILE A 1 18 ? -21.422 9.484 -13.902 1.0 42.23 ? 18 A 8 +ATOM 262 C C . ILE A 1 18 ? -19.938 9.486 -13.551 1.0 2.02 ? 18 A 8 +ATOM 263 O O . ILE A 1 18 ? -19.17 10.305 -14.057 1.0 34.24 ? 18 A 8 +ATOM 264 C CB . ILE A 1 18 ? -21.636 8.638 -15.171 1.0 20.13 ? 18 A 8 +ATOM 265 C CG1 . ILE A 1 18 ? -20.911 7.296 -15.045 1.0 0.43 ? 18 A 8 +ATOM 266 C CG2 . ILE A 1 18 ? -21.153 9.394 -16.4 1.0 34.34 ? 18 A 8 +ATOM 267 C CD1 . ILE A 1 18 ? -21.195 6.346 -16.187 1.0 41.12 ? 18 A 8 +ATOM 268 H H . ILE A 1 18 ? -21.462 11.446 -14.693 1.0 72.35 ? 18 A 8 +ATOM 269 H HA . ILE A 1 18 ? -21.972 9.027 -13.092 1.0 33.1 ? 18 A 8 +ATOM 270 H HB . ILE A 1 18 ? -22.695 8.458 -15.283 1.0 55.23 ? 18 A 8 +ATOM 271 H HG12 . ILE A 1 18 ? -19.847 7.471 -15.017 1.0 35.45 ? 18 A 8 +ATOM 272 H HG13 . ILE A 1 18 ? -21.218 6.815 -14.128 1.0 15.51 ? 18 A 8 +ATOM 273 H HG21 . ILE A 1 18 ? -21.323 8.794 -17.282 1.0 31.24 ? 18 A 8 +ATOM 274 H HG22 . ILE A 1 18 ? -21.696 10.323 -16.487 1.0 60.32 ? 18 A 8 +ATOM 275 H HG23 . ILE A 1 18 ? -20.098 9.601 -16.303 1.0 71.44 ? 18 A 8 +ATOM 276 H HD11 . ILE A 1 18 ? -20.266 6.065 -16.661 1.0 32.31 ? 18 A 8 +ATOM 277 H HD12 . ILE A 1 18 ? -21.685 5.462 -15.807 1.0 60.24 ? 18 A 8 +ATOM 278 H HD13 . ILE A 1 18 ? -21.835 6.831 -16.909 1.0 25.35 ? 18 A 8 +ATOM 279 N N . THR A 1 19 ? -19.54 8.563 -12.682 1.0 42.32 ? 19 A 8 +ATOM 280 C CA . THR A 1 19 ? -18.148 8.457 -12.263 1.0 41.24 ? 19 A 8 +ATOM 281 C C . THR A 1 19 ? -17.492 7.209 -12.842 1.0 70.21 ? 19 A 8 +ATOM 282 O O . THR A 1 19 ? -18.113 6.148 -12.916 1.0 44.42 ? 19 A 8 +ATOM 283 C CB . THR A 1 19 ? -18.024 8.423 -10.728 1.0 2.4 ? 19 A 8 +ATOM 284 O OG1 . THR A 1 19 ? -19.325 8.445 -10.131 1.0 22.32 ? 19 A 8 +ATOM 285 C CG2 . THR A 1 19 ? -17.209 9.604 -10.224 1.0 13.14 ? 19 A 8 +ATOM 286 H H . THR A 1 19 ? -20.199 7.938 -12.314 1.0 1.15 ? 19 A 8 +ATOM 287 H HA . THR A 1 19 ? -17.623 9.329 -12.626 1.0 65.43 ? 19 A 8 +ATOM 288 H HB . THR A 1 19 ? -17.521 7.51 -10.443 1.0 44.24 ? 19 A 8 +ATOM 289 H HG1 . THR A 1 19 ? -19.717 7.569 -10.184 1.0 60.25 ? 19 A 8 +ATOM 290 H HG21 . THR A 1 19 ? -17.851 10.466 -10.123 1.0 73.33 ? 19 A 8 +ATOM 291 H HG22 . THR A 1 19 ? -16.42 9.824 -10.928 1.0 23.45 ? 19 A 8 +ATOM 292 H HG23 . THR A 1 19 ? -16.779 9.361 -9.264 1.0 51.03 ? 19 A 8 +ATOM 293 N N . ILE A 1 20 ? -16.235 7.342 -13.252 1.0 2.13 ? 20 A 8 +ATOM 294 C CA . ILE A 1 20 ? -15.496 6.224 -13.824 1.0 23.24 ? 20 A 8 +ATOM 295 C C . ILE A 1 20 ? -14.024 6.279 -13.428 1.0 21.51 ? 20 A 8 +ATOM 296 O O . ILE A 1 20 ? -13.38 7.323 -13.536 1.0 3.54 ? 20 A 8 +ATOM 297 C CB . ILE A 1 20 ? -15.603 6.204 -15.36 1.0 55.55 ? 20 A 8 +ATOM 298 C CG1 . ILE A 1 20 ? -15.662 7.632 -15.907 1.0 1.5 ? 20 A 8 +ATOM 299 C CG2 . ILE A 1 20 ? -16.827 5.413 -15.796 1.0 1.32 ? 20 A 8 +ATOM 300 C CD1 . ILE A 1 20 ? -15.011 7.787 -17.264 1.0 2.4 ? 20 A 8 +ATOM 301 H H . ILE A 1 20 ? -15.795 8.213 -13.168 1.0 32.52 ? 20 A 8 +ATOM 302 H HA . ILE A 1 20 ? -15.927 5.31 -13.441 1.0 40.32 ? 20 A 8 +ATOM 303 H HB . ILE A 1 20 ? -14.727 5.712 -15.753 1.0 75.22 ? 20 A 8 +ATOM 304 H HG12 . ILE A 1 20 ? -16.693 7.934 -15.998 1.0 4.24 ? 20 A 8 +ATOM 305 H HG13 . ILE A 1 20 ? -15.157 8.294 -15.219 1.0 20.02 ? 20 A 8 +ATOM 306 H HG21 . ILE A 1 20 ? -17.631 6.095 -16.03 1.0 41.11 ? 20 A 8 +ATOM 307 H HG22 . ILE A 1 20 ? -16.585 4.829 -16.671 1.0 51.34 ? 20 A 8 +ATOM 308 H HG23 . ILE A 1 20 ? -17.134 4.755 -14.997 1.0 74.34 ? 20 A 8 +ATOM 309 H HD11 . ILE A 1 20 ? -15.516 8.566 -17.818 1.0 44.23 ? 20 A 8 +ATOM 310 H HD12 . ILE A 1 20 ? -13.972 8.052 -17.137 1.0 43.31 ? 20 A 8 +ATOM 311 H HD13 . ILE A 1 20 ? -15.083 6.856 -17.806 1.0 23.14 ? 20 A 8 +ATOM 312 N N . ASP A 1 21 ? -13.497 5.148 -12.972 1.0 44.41 ? 21 A 8 +ATOM 313 C CA . ASP A 1 21 ? -12.1 5.066 -12.563 1.0 13.43 ? 21 A 8 +ATOM 314 C C . ASP A 1 21 ? -11.193 4.839 -13.768 1.0 74.52 ? 21 A 8 +ATOM 315 O O . ASP A 1 21 ? -11.41 3.918 -14.557 1.0 3.25 ? 21 A 8 +ATOM 316 C CB . ASP A 1 21 ? -11.909 3.939 -11.546 1.0 40.32 ? 21 A 8 +ATOM 317 C CG . ASP A 1 21 ? -12.341 2.59 -12.089 1.0 70.32 ? 21 A 8 +ATOM 318 O OD1 . ASP A 1 21 ? -13.563 2.339 -12.147 1.0 34.41 ? 21 A 8 +ATOM 319 O OD2 . ASP A 1 21 ? -11.458 1.787 -12.455 1.0 4.34 ? 21 A 8 +ATOM 320 H H . ASP A 1 21 ? -14.062 4.349 -12.909 1.0 61.24 ? 21 A 8 +ATOM 321 H HA . ASP A 1 21 ? -11.834 6.004 -12.1 1.0 0.1 ? 21 A 8 +ATOM 322 H HB2 . ASP A 1 21 ? -10.865 3.879 -11.276 1.0 73.15 ? 21 A 8 +ATOM 323 H HB3 . ASP A 1 21 ? -12.493 4.156 -10.664 1.0 61.23 ? 21 A 8 +ATOM 324 N N . VAL A 1 22 ? -10.177 5.685 -13.906 1.0 30.34 ? 22 A 8 +ATOM 325 C CA . VAL A 1 22 ? -9.238 5.577 -15.015 1.0 1.34 ? 22 A 8 +ATOM 326 C C . VAL A 1 22 ? -7.818 5.908 -14.568 1.0 61.2 ? 22 A 8 +ATOM 327 O O . VAL A 1 22 ? -7.613 6.491 -13.503 1.0 34.03 ? 22 A 8 +ATOM 328 C CB . VAL A 1 22 ? -9.629 6.511 -16.176 1.0 60.13 ? 22 A 8 +ATOM 329 C CG1 . VAL A 1 22 ? -11.109 6.855 -16.108 1.0 14.0 ? 22 A 8 +ATOM 330 C CG2 . VAL A 1 22 ? -8.779 7.772 -16.155 1.0 61.12 ? 22 A 8 +ATOM 331 H H . VAL A 1 22 ? -10.057 6.398 -13.245 1.0 71.0 ? 22 A 8 +ATOM 332 H HA . VAL A 1 22 ? -9.262 4.559 -15.376 1.0 41.13 ? 22 A 8 +ATOM 333 H HB . VAL A 1 22 ? -9.446 5.993 -17.106 1.0 23.42 ? 22 A 8 +ATOM 334 H HG11 . VAL A 1 22 ? -11.28 7.552 -15.301 1.0 3.13 ? 22 A 8 +ATOM 335 H HG12 . VAL A 1 22 ? -11.419 7.301 -17.042 1.0 11.12 ? 22 A 8 +ATOM 336 H HG13 . VAL A 1 22 ? -11.68 5.955 -15.931 1.0 2.3 ? 22 A 8 +ATOM 337 H HG21 . VAL A 1 22 ? -9.189 8.494 -16.844 1.0 43.3 ? 22 A 8 +ATOM 338 H HG22 . VAL A 1 22 ? -8.775 8.186 -15.158 1.0 71.52 ? 22 A 8 +ATOM 339 H HG23 . VAL A 1 22 ? -7.767 7.529 -16.448 1.0 24.41 ? 22 A 8 +ATOM 340 N N . ASP A 1 23 ? -6.843 5.533 -15.388 1.0 73.14 ? 23 A 8 +ATOM 341 C CA . ASP A 1 23 ? -5.442 5.792 -15.077 1.0 0.33 ? 23 A 8 +ATOM 342 C C . ASP A 1 23 ? -4.826 6.744 -16.098 1.0 62.12 ? 23 A 8 +ATOM 343 O O . ASP A 1 23 ? -5.266 6.81 -17.246 1.0 35.34 ? 23 A 8 +ATOM 344 C CB . ASP A 1 23 ? -4.654 4.482 -15.044 1.0 24.44 ? 23 A 8 +ATOM 345 C CG . ASP A 1 23 ? -5.463 3.335 -14.47 1.0 11.25 ? 23 A 8 +ATOM 346 O OD1 . ASP A 1 23 ? -6.329 2.8 -15.193 1.0 71.52 ? 23 A 8 +ATOM 347 O OD2 . ASP A 1 23 ? -5.228 2.972 -13.299 1.0 54.12 ? 23 A 8 +ATOM 348 H H . ASP A 1 23 ? -7.07 5.072 -16.222 1.0 71.31 ? 23 A 8 +ATOM 349 H HA . ASP A 1 23 ? -5.398 6.253 -14.102 1.0 62.03 ? 23 A 8 +ATOM 350 H HB2 . ASP A 1 23 ? -4.358 4.221 -16.05 1.0 75.32 ? 23 A 8 +ATOM 351 H HB3 . ASP A 1 23 ? -3.771 4.615 -14.437 1.0 32.1 ? 23 A 8 +ATOM 352 N N . HIS A 1 24 ? -3.805 7.482 -15.672 1.0 3.42 ? 24 A 8 +ATOM 353 C CA . HIS A 1 24 ? -3.129 8.431 -16.549 1.0 64.1 ? 24 A 8 +ATOM 354 C C . HIS A 1 24 ? -2.514 7.719 -17.749 1.0 13.22 ? 24 A 8 +ATOM 355 O O . HIS A 1 24 ? -2.157 8.351 -18.742 1.0 40.32 ? 24 A 8 +ATOM 356 C CB . HIS A 1 24 ? -2.046 9.187 -15.778 1.0 43.52 ? 24 A 8 +ATOM 357 C CG . HIS A 1 24 ? -0.902 8.321 -15.349 1.0 63.23 ? 24 A 8 +ATOM 358 N ND1 . HIS A 1 24 ? -0.802 7.777 -14.086 1.0 33.23 ? 24 A 8 +ATOM 359 C CD2 . HIS A 1 24 ? 0.195 7.903 -16.024 1.0 70.35 ? 24 A 8 +ATOM 360 C CE1 . HIS A 1 24 ? 0.307 7.064 -14.002 1.0 52.22 ? 24 A 8 +ATOM 361 N NE2 . HIS A 1 24 ? 0.93 7.124 -15.165 1.0 51.1 ? 24 A 8 +ATOM 362 H H . HIS A 1 24 ? -3.5 7.385 -14.746 1.0 35.01 ? 24 A 8 +ATOM 363 H HA . HIS A 1 24 ? -3.865 9.137 -16.903 1.0 52.33 ? 24 A 8 +ATOM 364 H HB2 . HIS A 1 24 ? -1.65 9.972 -16.405 1.0 74.33 ? 24 A 8 +ATOM 365 H HB3 . HIS A 1 24 ? -2.482 9.625 -14.892 1.0 2.24 ? 24 A 8 +ATOM 366 H HD1 . HIS A 1 24 ? -1.448 7.897 -13.359 1.0 61.24 ? 24 A 8 +ATOM 367 H HD2 . HIS A 1 24 ? 0.446 8.14 -17.049 1.0 14.35 ? 24 A 8 +ATOM 368 H HE1 . HIS A 1 24 ? 0.647 6.523 -13.131 1.0 73.24 ? 24 A 8 +ATOM 369 N N . ALA A 1 25 ? -2.392 6.399 -17.649 1.0 63.43 ? 25 A 8 +ATOM 370 C CA . ALA A 1 25 ? -1.821 5.601 -18.727 1.0 43.32 ? 25 A 8 +ATOM 371 C C . ALA A 1 25 ? -2.886 5.212 -19.746 1.0 33.54 ? 25 A 8 +ATOM 372 O O . ALA A 1 25 ? -2.627 4.431 -20.662 1.0 12.23 ? 25 A 8 +ATOM 373 C CB . ALA A 1 25 ? -1.148 4.358 -18.164 1.0 51.34 ? 25 A 8 +ATOM 374 H H . ALA A 1 25 ? -2.695 5.952 -16.832 1.0 55.41 ? 25 A 8 +ATOM 375 H HA . ALA A 1 25 ? -1.066 6.197 -19.22 1.0 23.12 ? 25 A 8 +ATOM 376 H HB1 . ALA A 1 25 ? -1.843 3.832 -17.525 1.0 42.21 ? 25 A 8 +ATOM 377 H HB2 . ALA A 1 25 ? -0.846 3.713 -18.975 1.0 3.14 ? 25 A 8 +ATOM 378 H HB3 . ALA A 1 25 ? -0.28 4.647 -17.591 1.0 44.44 ? 25 A 8 +ATOM 379 N N . ASP A 1 26 ? -4.085 5.761 -19.581 1.0 53.31 ? 26 A 8 +ATOM 380 C CA . ASP A 1 26 ? -5.19 5.472 -20.488 1.0 71.32 ? 26 A 8 +ATOM 381 C C . ASP A 1 26 ? -5.366 6.595 -21.505 1.0 31.24 ? 26 A 8 +ATOM 382 O O . ASP A 1 26 ? -4.5 7.459 -21.65 1.0 53.43 ? 26 A 8 +ATOM 383 C CB . ASP A 1 26 ? -6.485 5.274 -19.699 1.0 21.1 ? 26 A 8 +ATOM 384 C CG . ASP A 1 26 ? -6.343 4.238 -18.602 1.0 73.54 ? 26 A 8 +ATOM 385 O OD1 . ASP A 1 26 ? -5.321 3.52 -18.592 1.0 73.22 ? 26 A 8 +ATOM 386 O OD2 . ASP A 1 26 ? -7.252 4.146 -17.751 1.0 2.02 ? 26 A 8 +ATOM 387 H H . ASP A 1 26 ? -4.229 6.377 -18.832 1.0 73.33 ? 26 A 8 +ATOM 388 H HA . ASP A 1 26 ? -4.957 4.56 -21.014 1.0 35.3 ? 26 A 8 +ATOM 389 H HB2 . ASP A 1 26 ? -6.772 6.213 -19.248 1.0 71.15 ? 26 A 8 +ATOM 390 H HB3 . ASP A 1 26 ? -7.264 4.952 -20.375 1.0 51.4 ? 26 A 8 +ATOM 391 N N . THR A 1 27 ? -6.493 6.577 -22.211 1.0 11.22 ? 27 A 8 +ATOM 392 C CA . THR A 1 27 ? -6.781 7.591 -23.216 1.0 12.11 ? 27 A 8 +ATOM 393 C C . THR A 1 27 ? -8.276 7.879 -23.293 1.0 24.55 ? 27 A 8 +ATOM 394 O O . THR A 1 27 ? -9.092 7.126 -22.762 1.0 14.34 ? 27 A 8 +ATOM 395 C CB . THR A 1 27 ? -6.281 7.161 -24.608 1.0 24.42 ? 27 A 8 +ATOM 396 O OG1 . THR A 1 27 ? -6.262 5.732 -24.702 1.0 51.41 ? 27 A 8 +ATOM 397 C CG2 . THR A 1 27 ? -4.888 7.71 -24.876 1.0 72.22 ? 27 A 8 +ATOM 398 H H . THR A 1 27 ? -7.144 5.863 -22.05 1.0 1.33 ? 27 A 8 +ATOM 399 H HA . THR A 1 27 ? -6.264 8.497 -22.935 1.0 54.42 ? 27 A 8 +ATOM 400 H HB . THR A 1 27 ? -6.957 7.554 -25.354 1.0 51.23 ? 27 A 8 +ATOM 401 H HG1 . THR A 1 27 ? -6.388 5.469 -25.617 1.0 23.44 ? 27 A 8 +ATOM 402 H HG21 . THR A 1 27 ? -4.214 7.373 -24.104 1.0 20.21 ? 27 A 8 +ATOM 403 H HG22 . THR A 1 27 ? -4.921 8.79 -24.878 1.0 40.31 ? 27 A 8 +ATOM 404 H HG23 . THR A 1 27 ? -4.541 7.359 -25.836 1.0 53.14 ? 27 A 8 +ATOM 405 N N . VAL A 1 28 ? -8.63 8.974 -23.959 1.0 70.04 ? 28 A 8 +ATOM 406 C CA . VAL A 1 28 ? -10.028 9.361 -24.107 1.0 40.12 ? 28 A 8 +ATOM 407 C C . VAL A 1 28 ? -10.843 8.241 -24.743 1.0 43.3 ? 28 A 8 +ATOM 408 O O . VAL A 1 28 ? -11.907 7.874 -24.246 1.0 51.44 ? 28 A 8 +ATOM 409 C CB . VAL A 1 28 ? -10.17 10.635 -24.961 1.0 70.14 ? 28 A 8 +ATOM 410 C CG1 . VAL A 1 28 ? -11.591 11.172 -24.886 1.0 13.41 ? 28 A 8 +ATOM 411 C CG2 . VAL A 1 28 ? -9.168 11.689 -24.516 1.0 73.55 ? 28 A 8 +ATOM 412 H H . VAL A 1 28 ? -7.934 9.535 -24.36 1.0 50.23 ? 28 A 8 +ATOM 413 H HA . VAL A 1 28 ? -10.423 9.567 -23.123 1.0 62.42 ? 28 A 8 +ATOM 414 H HB . VAL A 1 28 ? -9.96 10.38 -25.989 1.0 52.41 ? 28 A 8 +ATOM 415 H HG11 . VAL A 1 28 ? -12.291 10.355 -24.986 1.0 72.32 ? 28 A 8 +ATOM 416 H HG12 . VAL A 1 28 ? -11.742 11.661 -23.935 1.0 75.12 ? 28 A 8 +ATOM 417 H HG13 . VAL A 1 28 ? -11.75 11.881 -25.685 1.0 43.12 ? 28 A 8 +ATOM 418 H HG21 . VAL A 1 28 ? -8.563 11.989 -25.358 1.0 22.23 ? 28 A 8 +ATOM 419 H HG22 . VAL A 1 28 ? -9.698 12.547 -24.129 1.0 21.24 ? 28 A 8 +ATOM 420 H HG23 . VAL A 1 28 ? -8.533 11.28 -23.744 1.0 51.43 ? 28 A 8 +ATOM 421 N N . GLY A 1 29 ? -10.336 7.701 -25.848 1.0 51.02 ? 29 A 8 +ATOM 422 C CA . GLY A 1 29 ? -11.03 6.628 -26.535 1.0 24.21 ? 29 A 8 +ATOM 423 C C . GLY A 1 29 ? -11.441 5.51 -25.598 1.0 62.32 ? 29 A 8 +ATOM 424 O O . GLY A 1 29 ? -12.595 5.082 -25.599 1.0 1.41 ? 29 A 8 +ATOM 425 H H . GLY A 1 29 ? -9.484 8.035 -26.199 1.0 25.44 ? 29 A 8 +ATOM 426 H HA2 . GLY A 1 29 ? -11.914 7.03 -27.008 1.0 33.14 ? 29 A 8 +ATOM 427 H HA3 . GLY A 1 29 ? -10.38 6.223 -27.296 1.0 61.11 ? 29 A 8 +ATOM 428 N N . ALA A 1 30 ? -10.494 5.034 -24.796 1.0 0.3 ? 30 A 8 +ATOM 429 C CA . ALA A 1 30 ? -10.764 3.958 -23.85 1.0 24.42 ? 30 A 8 +ATOM 430 C C . ALA A 1 30 ? -11.844 4.363 -22.853 1.0 23.15 ? 30 A 8 +ATOM 431 O O . ALA A 1 30 ? -12.723 3.568 -22.517 1.0 23.32 ? 30 A 8 +ATOM 432 C CB . ALA A 1 30 ? -9.488 3.567 -23.119 1.0 4.23 ? 30 A 8 +ATOM 433 H H . ALA A 1 30 ? -9.593 5.415 -24.842 1.0 13.0 ? 30 A 8 +ATOM 434 H HA . ALA A 1 30 ? -11.107 3.1 -24.409 1.0 42.35 ? 30 A 8 +ATOM 435 H HB1 . ALA A 1 30 ? -9.658 2.656 -22.563 1.0 24.3 ? 30 A 8 +ATOM 436 H HB2 . ALA A 1 30 ? -8.696 3.409 -23.836 1.0 15.25 ? 30 A 8 +ATOM 437 H HB3 . ALA A 1 30 ? -9.206 4.357 -22.438 1.0 54.13 ? 30 A 8 +ATOM 438 N N . VAL A 1 31 ? -11.773 5.604 -22.381 1.0 44.02 ? 31 A 8 +ATOM 439 C CA . VAL A 1 31 ? -12.746 6.114 -21.422 1.0 44.43 ? 31 A 8 +ATOM 440 C C . VAL A 1 31 ? -14.153 6.103 -22.008 1.0 22.33 ? 31 A 8 +ATOM 441 O O . VAL A 1 31 ? -15.113 5.719 -21.34 1.0 41.34 ? 31 A 8 +ATOM 442 C CB . VAL A 1 31 ? -12.398 7.547 -20.978 1.0 42.01 ? 31 A 8 +ATOM 443 C CG1 . VAL A 1 31 ? -13.459 8.085 -20.03 1.0 61.22 ? 31 A 8 +ATOM 444 C CG2 . VAL A 1 31 ? -11.023 7.584 -20.329 1.0 34.2 ? 31 A 8 +ATOM 445 H H . VAL A 1 31 ? -11.05 6.19 -22.686 1.0 33.11 ? 31 A 8 +ATOM 446 H HA . VAL A 1 31 ? -12.724 5.475 -20.551 1.0 53.53 ? 31 A 8 +ATOM 447 H HB . VAL A 1 31 ? -12.376 8.178 -21.854 1.0 34.14 ? 31 A 8 +ATOM 448 H HG11 . VAL A 1 31 ? -12.984 8.659 -19.248 1.0 24.43 ? 31 A 8 +ATOM 449 H HG12 . VAL A 1 31 ? -14.144 8.717 -20.577 1.0 62.24 ? 31 A 8 +ATOM 450 H HG13 . VAL A 1 31 ? -14.001 7.26 -19.592 1.0 4.44 ? 31 A 8 +ATOM 451 H HG21 . VAL A 1 31 ? -10.63 6.581 -20.258 1.0 32.4 ? 31 A 8 +ATOM 452 H HG22 . VAL A 1 31 ? -10.359 8.189 -20.928 1.0 31.51 ? 31 A 8 +ATOM 453 H HG23 . VAL A 1 31 ? -11.103 8.01 -19.339 1.0 2.41 ? 31 A 8 +ATOM 454 N N . LYS A 1 32 ? -14.269 6.526 -23.262 1.0 44.33 ? 32 A 8 +ATOM 455 C CA . LYS A 1 32 ? -15.559 6.564 -23.941 1.0 33.41 ? 32 A 8 +ATOM 456 C C . LYS A 1 32 ? -16.227 5.192 -23.918 1.0 33.52 ? 32 A 8 +ATOM 457 O O . LYS A 1 32 ? -17.427 5.08 -23.669 1.0 55.22 ? 32 A 8 +ATOM 458 C CB . LYS A 1 32 ? -15.384 7.032 -25.387 1.0 21.43 ? 32 A 8 +ATOM 459 C CG . LYS A 1 32 ? -16.056 8.362 -25.682 1.0 62.04 ? 32 A 8 +ATOM 460 C CD . LYS A 1 32 ? -15.045 9.494 -25.758 1.0 13.3 ? 32 A 8 +ATOM 461 C CE . LYS A 1 32 ? -14.614 9.76 -27.192 1.0 61.02 ? 32 A 8 +ATOM 462 N NZ . LYS A 1 32 ? -14.191 8.512 -27.885 1.0 10.13 ? 32 A 8 +ATOM 463 H H . LYS A 1 32 ? -13.467 6.82 -23.744 1.0 0.43 ? 32 A 8 +ATOM 464 H HA . LYS A 1 32 ? -16.189 7.267 -23.418 1.0 20.21 ? 32 A 8 +ATOM 465 H HB2 . LYS A 1 32 ? -14.329 7.132 -25.595 1.0 31.13 ? 32 A 8 +ATOM 466 H HB3 . LYS A 1 32 ? -15.803 6.287 -26.048 1.0 51.43 ? 32 A 8 +ATOM 467 H HG2 . LYS A 1 32 ? -16.574 8.292 -26.627 1.0 34.55 ? 32 A 8 +ATOM 468 H HG3 . LYS A 1 32 ? -16.766 8.578 -24.895 1.0 75.31 ? 32 A 8 +ATOM 469 H HD2 . LYS A 1 32 ? -15.49 10.391 -25.355 1.0 62.53 ? 32 A 8 +ATOM 470 H HD3 . LYS A 1 32 ? -14.175 9.228 -25.173 1.0 34.24 ? 32 A 8 +ATOM 471 H HE2 . LYS A 1 32 ? -15.443 10.196 -27.728 1.0 32.35 ? 32 A 8 +ATOM 472 H HE3 . LYS A 1 32 ? -13.787 10.455 -27.182 1.0 31.14 ? 32 A 8 +ATOM 473 H HZ1 . LYS A 1 32 ? -13.636 7.915 -27.24 1.0 3.34 ? 32 A 8 +ATOM 474 H HZ2 . LYS A 1 32 ? -13.608 8.745 -28.714 1.0 11.13 ? 32 A 8 +ATOM 475 H HZ3 . LYS A 1 32 ? -15.026 7.979 -28.202 1.0 13.55 ? 32 A 8 +ATOM 476 N N . ALA A 1 33 ? -15.441 4.152 -24.176 1.0 34.21 ? 33 A 8 +ATOM 477 C CA . ALA A 1 33 ? -15.955 2.788 -24.181 1.0 60.31 ? 33 A 8 +ATOM 478 C C . ALA A 1 33 ? -16.452 2.384 -22.797 1.0 31.03 ? 33 A 8 +ATOM 479 O O . ALA A 1 33 ? -17.466 1.698 -22.665 1.0 31.32 ? 33 A 8 +ATOM 480 C CB . ALA A 1 33 ? -14.884 1.822 -24.662 1.0 54.24 ? 33 A 8 +ATOM 481 H H . ALA A 1 33 ? -14.492 4.306 -24.367 1.0 43.1 ? 33 A 8 +ATOM 482 H HA . ALA A 1 33 ? -16.782 2.746 -24.875 1.0 53.01 ? 33 A 8 +ATOM 483 H HB1 . ALA A 1 33 ? -13.991 1.95 -24.068 1.0 2.33 ? 33 A 8 +ATOM 484 H HB2 . ALA A 1 33 ? -15.242 0.808 -24.561 1.0 61.23 ? 33 A 8 +ATOM 485 H HB3 . ALA A 1 33 ? -14.658 2.022 -25.699 1.0 53.23 ? 33 A 8 +ATOM 486 N N . LYS A 1 34 ? -15.731 2.813 -21.766 1.0 30.14 ? 34 A 8 +ATOM 487 C CA . LYS A 1 34 ? -16.098 2.497 -20.391 1.0 3.41 ? 34 A 8 +ATOM 488 C C . LYS A 1 34 ? -17.487 3.034 -20.061 1.0 51.04 ? 34 A 8 +ATOM 489 O O . LYS A 1 34 ? -18.295 2.349 -19.433 1.0 30.3 ? 34 A 8 +ATOM 490 C CB . LYS A 1 34 ? -15.069 3.081 -19.42 1.0 63.02 ? 34 A 8 +ATOM 491 C CG . LYS A 1 34 ? -15.328 2.716 -17.968 1.0 24.43 ? 34 A 8 +ATOM 492 C CD . LYS A 1 34 ? -15.131 1.229 -17.724 1.0 44.42 ? 34 A 8 +ATOM 493 C CE . LYS A 1 34 ? -13.677 0.822 -17.906 1.0 34.12 ? 34 A 8 +ATOM 494 N NZ . LYS A 1 34 ? -13.306 -0.319 -17.023 1.0 13.0 ? 34 A 8 +ATOM 495 H H . LYS A 1 34 ? -14.933 3.357 -21.935 1.0 65.25 ? 34 A 8 +ATOM 496 H HA . LYS A 1 34 ? -16.108 1.422 -20.289 1.0 3.22 ? 34 A 8 +ATOM 497 H HB2 . LYS A 1 34 ? -14.089 2.718 -19.692 1.0 71.03 ? 34 A 8 +ATOM 498 H HB3 . LYS A 1 34 ? -15.082 4.158 -19.506 1.0 71.12 ? 34 A 8 +ATOM 499 H HG2 . LYS A 1 34 ? -14.643 3.266 -17.34 1.0 24.23 ? 34 A 8 +ATOM 500 H HG3 . LYS A 1 34 ? -16.344 2.981 -17.715 1.0 22.21 ? 34 A 8 +ATOM 501 H HD2 . LYS A 1 34 ? -15.434 0.995 -16.714 1.0 63.43 ? 34 A 8 +ATOM 502 H HD3 . LYS A 1 34 ? -15.741 0.674 -18.422 1.0 75.33 ? 34 A 8 +ATOM 503 H HE2 . LYS A 1 34 ? -13.523 0.534 -18.935 1.0 34.14 ? 34 A 8 +ATOM 504 H HE3 . LYS A 1 34 ? -13.048 1.668 -17.671 1.0 0.12 ? 34 A 8 +ATOM 505 H HZ1 . LYS A 1 34 ? -13.038 0.031 -16.081 1.0 62.42 ? 34 A 8 +ATOM 506 H HZ2 . LYS A 1 34 ? -12.502 -0.838 -17.43 1.0 14.2 ? 34 A 8 +ATOM 507 H HZ3 . LYS A 1 34 ? -14.11 -0.97 -16.924 1.0 65.2 ? 34 A 8 +ATOM 508 N N . ILE A 1 35 ? -17.758 4.263 -20.488 1.0 14.42 ? 35 A 8 +ATOM 509 C CA . ILE A 1 35 ? -19.05 4.89 -20.24 1.0 22.32 ? 35 A 8 +ATOM 510 C C . ILE A 1 35 ? -20.162 4.179 -21.003 1.0 74.31 ? 35 A 8 +ATOM 511 O O . ILE A 1 35 ? -21.288 4.066 -20.518 1.0 33.23 ? 35 A 8 +ATOM 512 C CB . ILE A 1 35 ? -19.039 6.378 -20.638 1.0 42.5 ? 35 A 8 +ATOM 513 C CG1 . ILE A 1 35 ? -17.865 7.099 -19.972 1.0 22.04 ? 35 A 8 +ATOM 514 C CG2 . ILE A 1 35 ? -20.357 7.037 -20.259 1.0 45.14 ? 35 A 8 +ATOM 515 C CD1 . ILE A 1 35 ? -17.852 6.967 -18.465 1.0 11.1 ? 35 A 8 +ATOM 516 H H . ILE A 1 35 ? -17.073 4.759 -20.983 1.0 54.44 ? 35 A 8 +ATOM 517 H HA . ILE A 1 35 ? -19.254 4.823 -19.181 1.0 30.01 ? 35 A 8 +ATOM 518 H HB . ILE A 1 35 ? -18.929 6.44 -21.71 1.0 2.44 ? 35 A 8 +ATOM 519 H HG12 . ILE A 1 35 ? -16.94 6.691 -20.348 1.0 3.24 ? 35 A 8 +ATOM 520 H HG13 . ILE A 1 35 ? -17.914 8.151 -20.214 1.0 0.11 ? 35 A 8 +ATOM 521 H HG21 . ILE A 1 35 ? -20.429 8.001 -20.741 1.0 65.32 ? 35 A 8 +ATOM 522 H HG22 . ILE A 1 35 ? -21.177 6.413 -20.58 1.0 43.1 ? 35 A 8 +ATOM 523 H HG23 . ILE A 1 35 ? -20.399 7.167 -19.188 1.0 75.41 ? 35 A 8 +ATOM 524 H HD11 . ILE A 1 35 ? -16.997 6.379 -18.163 1.0 43.52 ? 35 A 8 +ATOM 525 H HD12 . ILE A 1 35 ? -17.788 7.948 -18.018 1.0 71.15 ? 35 A 8 +ATOM 526 H HD13 . ILE A 1 35 ? -18.757 6.479 -18.138 1.0 74.3 ? 35 A 8 +ATOM 527 N N . TYR A 1 36 ? -19.838 3.699 -22.199 1.0 62.53 ? 36 A 8 +ATOM 528 C CA . TYR A 1 36 ? -20.81 2.999 -23.03 1.0 64.44 ? 36 A 8 +ATOM 529 C C . TYR A 1 36 ? -21.408 1.81 -22.284 1.0 53.42 ? 36 A 8 +ATOM 530 O O . TYR A 1 36 ? -22.622 1.607 -22.29 1.0 34.33 ? 36 A 8 +ATOM 531 C CB . TYR A 1 36 ? -20.154 2.523 -24.327 1.0 74.42 ? 36 A 8 +ATOM 532 C CG . TYR A 1 36 ? -20.667 1.186 -24.811 1.0 43.51 ? 36 A 8 +ATOM 533 C CD1 . TYR A 1 36 ? -21.999 1.019 -25.169 1.0 62.31 ? 36 A 8 +ATOM 534 C CD2 . TYR A 1 36 ? -19.82 0.089 -24.91 1.0 22.21 ? 36 A 8 +ATOM 535 C CE1 . TYR A 1 36 ? -22.472 -0.201 -25.611 1.0 25.24 ? 36 A 8 +ATOM 536 C CE2 . TYR A 1 36 ? -20.284 -1.135 -25.352 1.0 24.41 ? 36 A 8 +ATOM 537 C CZ . TYR A 1 36 ? -21.611 -1.275 -25.7 1.0 51.0 ? 36 A 8 +ATOM 538 O OH . TYR A 1 36 ? -22.079 -2.492 -26.141 1.0 31.41 ? 36 A 8 +ATOM 539 H H . TYR A 1 36 ? -18.924 3.82 -22.531 1.0 42.53 ? 36 A 8 +ATOM 540 H HA . TYR A 1 36 ? -21.601 3.693 -23.272 1.0 45.34 ? 36 A 8 +ATOM 541 H HB2 . TYR A 1 36 ? -20.339 3.249 -25.104 1.0 32.41 ? 36 A 8 +ATOM 542 H HB3 . TYR A 1 36 ? -19.088 2.434 -24.172 1.0 73.31 ? 36 A 8 +ATOM 543 H HD1 . TYR A 1 36 ? -22.671 1.863 -25.098 1.0 14.41 ? 36 A 8 +ATOM 544 H HD2 . TYR A 1 36 ? -18.781 0.202 -24.636 1.0 73.43 ? 36 A 8 +ATOM 545 H HE1 . TYR A 1 36 ? -23.511 -0.311 -25.884 1.0 30.0 ? 36 A 8 +ATOM 546 H HE2 . TYR A 1 36 ? -19.61 -1.976 -25.422 1.0 11.1 ? 36 A 8 +ATOM 547 H HH . TYR A 1 36 ? -21.414 -3.166 -25.982 1.0 20.21 ? 36 A 8 +ATOM 548 N N . ASP A 1 37 ? -20.547 1.029 -21.642 1.0 31.31 ? 37 A 8 +ATOM 549 C CA . ASP A 1 37 ? -20.989 -0.139 -20.889 1.0 4.3 ? 37 A 8 +ATOM 550 C C . ASP A 1 37 ? -21.646 0.277 -19.577 1.0 30.32 ? 37 A 8 +ATOM 551 O O . ASP A 1 37 ? -22.561 -0.388 -19.09 1.0 62.0 ? 37 A 8 +ATOM 552 C CB . ASP A 1 37 ? -19.807 -1.069 -20.61 1.0 35.43 ? 37 A 8 +ATOM 553 C CG . ASP A 1 37 ? -20.213 -2.53 -20.588 1.0 34.32 ? 37 A 8 +ATOM 554 O OD1 . ASP A 1 37 ? -20.874 -2.977 -21.548 1.0 31.12 ? 37 A 8 +ATOM 555 O OD2 . ASP A 1 37 ? -19.87 -3.227 -19.609 1.0 3.2 ? 37 A 8 +ATOM 556 H H . ASP A 1 37 ? -19.591 1.243 -21.675 1.0 51.42 ? 37 A 8 +ATOM 557 H HA . ASP A 1 37 ? -21.715 -0.666 -21.49 1.0 32.24 ? 37 A 8 +ATOM 558 H HB2 . ASP A 1 37 ? -19.061 -0.934 -21.379 1.0 43.14 ? 37 A 8 +ATOM 559 H HB3 . ASP A 1 37 ? -19.379 -0.818 -19.651 1.0 34.23 ? 37 A 8 +ATOM 560 N N . LYS A 1 38 ? -21.174 1.38 -19.008 1.0 33.03 ? 38 A 8 +ATOM 561 C CA . LYS A 1 38 ? -21.715 1.887 -17.753 1.0 33.5 ? 38 A 8 +ATOM 562 C C . LYS A 1 38 ? -23.223 2.092 -17.853 1.0 62.1 ? 38 A 8 +ATOM 563 O O . LYS A 1 38 ? -23.973 1.689 -16.966 1.0 13.24 ? 38 A 8 +ATOM 564 C CB . LYS A 1 38 ? -21.034 3.204 -17.374 1.0 32.13 ? 38 A 8 +ATOM 565 C CG . LYS A 1 38 ? -20.164 3.104 -16.133 1.0 11.13 ? 38 A 8 +ATOM 566 C CD . LYS A 1 38 ? -18.715 2.813 -16.489 1.0 55.11 ? 38 A 8 +ATOM 567 C CE . LYS A 1 38 ? -18.485 1.328 -16.721 1.0 12.13 ? 38 A 8 +ATOM 568 N NZ . LYS A 1 38 ? -18.058 0.632 -15.476 1.0 62.42 ? 38 A 8 +ATOM 569 H H . LYS A 1 38 ? -20.443 1.868 -19.445 1.0 40.1 ? 38 A 8 +ATOM 570 H HA . LYS A 1 38 ? -21.514 1.154 -16.986 1.0 13.43 ? 38 A 8 +ATOM 571 H HB2 . LYS A 1 38 ? -20.413 3.524 -18.198 1.0 53.44 ? 38 A 8 +ATOM 572 H HB3 . LYS A 1 38 ? -21.794 3.95 -17.196 1.0 74.35 ? 38 A 8 +ATOM 573 H HG2 . LYS A 1 38 ? -20.21 4.039 -15.595 1.0 72.35 ? 38 A 8 +ATOM 574 H HG3 . LYS A 1 38 ? -20.537 2.307 -15.506 1.0 65.33 ? 38 A 8 +ATOM 575 H HD2 . LYS A 1 38 ? -18.46 3.351 -17.391 1.0 31.44 ? 38 A 8 +ATOM 576 H HD3 . LYS A 1 38 ? -18.081 3.145 -15.679 1.0 51.13 ? 38 A 8 +ATOM 577 H HE2 . LYS A 1 38 ? -19.405 0.885 -17.073 1.0 72.24 ? 38 A 8 +ATOM 578 H HE3 . LYS A 1 38 ? -17.718 1.209 -17.472 1.0 52.14 ? 38 A 8 +ATOM 579 H HZ1 . LYS A 1 38 ? -17.358 1.208 -14.967 1.0 12.21 ? 38 A 8 +ATOM 580 H HZ2 . LYS A 1 38 ? -17.63 -0.287 -15.71 1.0 31.3 ? 38 A 8 +ATOM 581 H HZ3 . LYS A 1 38 ? -18.877 0.472 -14.857 1.0 72.13 ? 38 A 8 +ATOM 582 N N . GLU A 1 39 ? -23.658 2.721 -18.941 1.0 74.33 ? 39 A 8 +ATOM 583 C CA . GLU A 1 39 ? -25.077 2.979 -19.156 1.0 31.43 ? 39 A 8 +ATOM 584 C C . GLU A 1 39 ? -25.602 2.175 -20.342 1.0 55.55 ? 39 A 8 +ATOM 585 O O . GLU A 1 39 ? -26.528 1.377 -20.203 1.0 44.25 ? 39 A 8 +ATOM 586 C CB . GLU A 1 39 ? -25.317 4.472 -19.392 1.0 31.12 ? 39 A 8 +ATOM 587 C CG . GLU A 1 39 ? -24.052 5.247 -19.722 1.0 22.34 ? 39 A 8 +ATOM 588 C CD . GLU A 1 39 ? -24.311 6.727 -19.927 1.0 34.02 ? 39 A 8 +ATOM 589 O OE1 . GLU A 1 39 ? -25.329 7.068 -20.565 1.0 60.52 ? 39 A 8 +ATOM 590 O OE2 . GLU A 1 39 ? -23.497 7.544 -19.449 1.0 24.54 ? 39 A 8 +ATOM 591 H H . GLU A 1 39 ? -23.01 3.019 -19.613 1.0 53.12 ? 39 A 8 +ATOM 592 H HA . GLU A 1 39 ? -25.608 2.676 -18.267 1.0 24.23 ? 39 A 8 +ATOM 593 H HB2 . GLU A 1 39 ? -26.01 4.588 -20.213 1.0 13.32 ? 39 A 8 +ATOM 594 H HB3 . GLU A 1 39 ? -25.753 4.899 -18.502 1.0 53.15 ? 39 A 8 +ATOM 595 H HG2 . GLU A 1 39 ? -23.351 5.129 -18.909 1.0 73.51 ? 39 A 8 +ATOM 596 H HG3 . GLU A 1 39 ? -23.623 4.843 -20.627 1.0 55.55 ? 39 A 8 +ATOM 597 N N . GLY A 1 40 ? -25.004 2.392 -21.509 1.0 41.31 ? 40 A 8 +ATOM 598 C CA . GLY A 1 40 ? -25.424 1.681 -22.702 1.0 23.2 ? 40 A 8 +ATOM 599 C C . GLY A 1 40 ? -25.699 2.613 -23.865 1.0 54.31 ? 40 A 8 +ATOM 600 O O . GLY A 1 40 ? -26.769 2.558 -24.473 1.0 62.35 ? 40 A 8 +ATOM 601 H H . GLY A 1 40 ? -24.27 3.04 -21.56 1.0 1.31 ? 40 A 8 +ATOM 602 H HA2 . GLY A 1 40 ? -24.648 0.986 -22.986 1.0 42.33 ? 40 A 8 +ATOM 603 H HA3 . GLY A 1 40 ? -26.325 1.128 -22.479 1.0 42.25 ? 40 A 8 +ATOM 604 N N . ILE A 1 41 ? -24.733 3.471 -24.175 1.0 11.45 ? 41 A 8 +ATOM 605 C CA . ILE A 1 41 ? -24.878 4.419 -25.273 1.0 13.21 ? 41 A 8 +ATOM 606 C C . ILE A 1 41 ? -23.673 4.366 -26.207 1.0 73.14 ? 41 A 8 +ATOM 607 O O . ILE A 1 41 ? -22.565 4.003 -25.811 1.0 54.03 ? 41 A 8 +ATOM 608 C CB . ILE A 1 41 ? -25.048 5.859 -24.754 1.0 13.54 ? 41 A 8 +ATOM 609 C CG1 . ILE A 1 41 ? -23.704 6.415 -24.278 1.0 35.25 ? 41 A 8 +ATOM 610 C CG2 . ILE A 1 41 ? -26.072 5.9 -23.63 1.0 15.54 ? 41 A 8 +ATOM 611 C CD1 . ILE A 1 41 ? -23.271 5.878 -22.933 1.0 51.21 ? 41 A 8 +ATOM 612 H H . ILE A 1 41 ? -23.904 3.466 -23.653 1.0 10.31 ? 41 A 8 +ATOM 613 H HA . ILE A 1 41 ? -25.764 4.151 -25.83 1.0 22.4 ? 41 A 8 +ATOM 614 H HB . ILE A 1 41 ? -25.415 6.469 -25.566 1.0 2.22 ? 41 A 8 +ATOM 615 H HG12 . ILE A 1 41 ? -22.942 6.162 -24.997 1.0 53.25 ? 41 A 8 +ATOM 616 H HG13 . ILE A 1 41 ? -23.776 7.491 -24.199 1.0 73.21 ? 41 A 8 +ATOM 617 H HG21 . ILE A 1 41 ? -27.058 5.721 -24.035 1.0 41.34 ? 41 A 8 +ATOM 618 H HG22 . ILE A 1 41 ? -25.839 5.137 -22.903 1.0 35.01 ? 41 A 8 +ATOM 619 H HG23 . ILE A 1 41 ? -26.049 6.869 -23.156 1.0 24.24 ? 41 A 8 +ATOM 620 H HD11 . ILE A 1 41 ? -23.919 5.063 -22.645 1.0 13.35 ? 41 A 8 +ATOM 621 H HD12 . ILE A 1 41 ? -22.253 5.521 -22.998 1.0 5.02 ? 41 A 8 +ATOM 622 H HD13 . ILE A 1 41 ? -23.331 6.663 -22.194 1.0 73.01 ? 41 A 8 +ATOM 623 N N . PRO A 1 42 ? -23.892 4.738 -27.477 1.0 42.01 ? 42 A 8 +ATOM 624 C CA . PRO A 1 42 ? -22.836 4.744 -28.493 1.0 63.34 ? 42 A 8 +ATOM 625 C C . PRO A 1 42 ? -21.802 5.837 -28.248 1.0 4.23 ? 42 A 8 +ATOM 626 O O . PRO A 1 42 ? -22.103 7.03 -28.29 1.0 21.54 ? 42 A 8 +ATOM 627 C CB . PRO A 1 42 ? -23.598 5.009 -29.794 1.0 63.45 ? 42 A 8 +ATOM 628 C CG . PRO A 1 42 ? -24.83 5.731 -29.371 1.0 31.23 ? 42 A 8 +ATOM 629 C CD . PRO A 1 42 ? -25.188 5.182 -28.018 1.0 52.22 ? 42 A 8 +ATOM 630 H HA . PRO A 1 42 ? -22.339 3.787 -28.554 1.0 60.32 ? 42 A 8 +ATOM 631 H HB2 . PRO A 1 42 ? -22.99 5.615 -30.452 1.0 50.23 ? 42 A 8 +ATOM 632 H HB3 . PRO A 1 42 ? -23.835 4.072 -30.275 1.0 64.01 ? 42 A 8 +ATOM 633 H HG2 . PRO A 1 42 ? -24.631 6.79 -29.305 1.0 0.11 ? 42 A 8 +ATOM 634 H HG3 . PRO A 1 42 ? -25.627 5.54 -30.075 1.0 1.1 ? 42 A 8 +ATOM 635 H HD2 . PRO A 1 42 ? -25.62 5.954 -27.399 1.0 11.32 ? 42 A 8 +ATOM 636 H HD3 . PRO A 1 42 ? -25.869 4.35 -28.116 1.0 34.03 ? 42 A 8 +ATOM 637 N N . PRO A 1 43 ? -20.553 5.424 -27.988 1.0 1.41 ? 43 A 8 +ATOM 638 C CA . PRO A 1 43 ? -19.448 6.353 -27.732 1.0 62.53 ? 43 A 8 +ATOM 639 C C . PRO A 1 43 ? -19.037 7.123 -28.983 1.0 21.35 ? 43 A 8 +ATOM 640 O O . PRO A 1 43 ? -18.574 8.26 -28.899 1.0 73.42 ? 43 A 8 +ATOM 641 C CB . PRO A 1 43 ? -18.313 5.436 -27.271 1.0 74.43 ? 43 A 8 +ATOM 642 C CG . PRO A 1 43 ? -18.622 4.113 -27.881 1.0 42.11 ? 43 A 8 +ATOM 643 C CD . PRO A 1 43 ? -20.122 4.017 -27.922 1.0 32.53 ? 43 A 8 +ATOM 644 H HA . PRO A 1 43 ? -19.692 7.052 -26.945 1.0 3.1 ? 43 A 8 +ATOM 645 H HB2 . PRO A 1 43 ? -17.368 5.824 -27.624 1.0 1.2 ? 43 A 8 +ATOM 646 H HB3 . PRO A 1 43 ? -18.305 5.381 -26.193 1.0 52.2 ? 43 A 8 +ATOM 647 H HG2 . PRO A 1 43 ? -18.216 4.065 -28.88 1.0 21.5 ? 43 A 8 +ATOM 648 H HG3 . PRO A 1 43 ? -18.213 3.322 -27.27 1.0 41.32 ? 43 A 8 +ATOM 649 H HD2 . PRO A 1 43 ? -20.442 3.475 -28.8 1.0 55.24 ? 43 A 8 +ATOM 650 H HD3 . PRO A 1 43 ? -20.495 3.542 -27.027 1.0 31.14 ? 43 A 8 +ATOM 651 N N . ASP A 1 44 ? -19.21 6.495 -30.141 1.0 54.12 ? 44 A 8 +ATOM 652 C CA . ASP A 1 44 ? -18.858 7.122 -31.41 1.0 51.34 ? 44 A 8 +ATOM 653 C C . ASP A 1 44 ? -19.87 8.202 -31.781 1.0 65.34 ? 44 A 8 +ATOM 654 O O . ASP A 1 44 ? -19.605 9.044 -32.638 1.0 41.23 ? 44 A 8 +ATOM 655 C CB . ASP A 1 44 ? -18.784 6.072 -32.519 1.0 23.35 ? 44 A 8 +ATOM 656 C CG . ASP A 1 44 ? -17.975 6.545 -33.711 1.0 52.14 ? 44 A 8 +ATOM 657 O OD1 . ASP A 1 44 ? -16.794 6.903 -33.521 1.0 70.43 ? 44 A 8 +ATOM 658 O OD2 . ASP A 1 44 ? -18.523 6.557 -34.833 1.0 15.14 ? 44 A 8 +ATOM 659 H H . ASP A 1 44 ? -19.583 5.589 -30.143 1.0 64.31 ? 44 A 8 +ATOM 660 H HA . ASP A 1 44 ? -17.887 7.581 -31.295 1.0 72.42 ? 44 A 8 +ATOM 661 H HB2 . ASP A 1 44 ? -18.323 5.176 -32.127 1.0 64.21 ? 44 A 8 +ATOM 662 H HB3 . ASP A 1 44 ? -19.784 5.84 -32.854 1.0 74.33 ? 44 A 8 +ATOM 663 N N . GLN A 1 45 ? -21.028 8.169 -31.131 1.0 24.51 ? 45 A 8 +ATOM 664 C CA . GLN A 1 45 ? -22.08 9.143 -31.396 1.0 55.1 ? 45 A 8 +ATOM 665 C C . GLN A 1 45 ? -22.002 10.308 -30.414 1.0 65.33 ? 45 A 8 +ATOM 666 O O . GLN A 1 45 ? -22.652 11.336 -30.604 1.0 0.12 ? 45 A 8 +ATOM 667 C CB . GLN A 1 45 ? -23.455 8.478 -31.307 1.0 3.33 ? 45 A 8 +ATOM 668 C CG . GLN A 1 45 ? -23.931 7.889 -32.625 1.0 71.05 ? 45 A 8 +ATOM 669 C CD . GLN A 1 45 ? -25.032 6.863 -32.442 1.0 50.21 ? 45 A 8 +ATOM 670 O OE1 . GLN A 1 45 ? -24.809 5.662 -32.593 1.0 30.33 ? 45 A 8 +ATOM 671 N NE2 . GLN A 1 45 ? -26.23 7.332 -32.113 1.0 54.11 ? 45 A 8 +ATOM 672 H H . GLN A 1 45 ? -21.18 7.473 -30.459 1.0 33.14 ? 45 A 8 +ATOM 673 H HA . GLN A 1 45 ? -21.937 9.522 -32.396 1.0 54.13 ? 45 A 8 +ATOM 674 H HB2 . GLN A 1 45 ? -23.411 7.685 -30.577 1.0 72.22 ? 45 A 8 +ATOM 675 H HB3 . GLN A 1 45 ? -24.177 9.214 -30.986 1.0 51.24 ? 45 A 8 +ATOM 676 H HG2 . GLN A 1 45 ? -24.305 8.688 -33.248 1.0 11.31 ? 45 A 8 +ATOM 677 H HG3 . GLN A 1 45 ? -23.094 7.414 -33.115 1.0 33.23 ? 45 A 8 +ATOM 678 H HE21 . GLN A 1 45 ? -26.334 8.302 -32.01 1.0 35.4 ? 45 A 8 +ATOM 679 H HE22 . GLN A 1 45 ? -26.96 6.692 -31.988 1.0 53.4 ? 45 A 8 +ATOM 680 N N . GLN A 1 46 ? -21.203 10.139 -29.366 1.0 5.34 ? 46 A 8 +ATOM 681 C CA . GLN A 1 46 ? -21.041 11.177 -28.354 1.0 54.21 ? 46 A 8 +ATOM 682 C C . GLN A 1 46 ? -19.619 11.727 -28.361 1.0 23.33 ? 46 A 8 +ATOM 683 O O . GLN A 1 46 ? -18.679 11.04 -28.762 1.0 42.0 ? 46 A 8 +ATOM 684 C CB . GLN A 1 46 ? -21.38 10.626 -26.968 1.0 54.1 ? 46 A 8 +ATOM 685 C CG . GLN A 1 46 ? -20.57 9.397 -26.587 1.0 63.33 ? 46 A 8 +ATOM 686 C CD . GLN A 1 46 ? -20.561 9.144 -25.093 1.0 73.34 ? 46 A 8 +ATOM 687 O OE1 . GLN A 1 46 ? -19.533 9.292 -24.432 1.0 62.34 ? 46 A 8 +ATOM 688 N NE2 . GLN A 1 46 ? -21.711 8.76 -24.551 1.0 52.51 ? 46 A 8 +ATOM 689 H H . GLN A 1 46 ? -20.711 9.298 -29.27 1.0 61.13 ? 46 A 8 +ATOM 690 H HA . GLN A 1 46 ? -21.725 11.979 -28.59 1.0 1.54 ? 46 A 8 +ATOM 691 H HB2 . GLN A 1 46 ? -21.196 11.394 -26.233 1.0 70.34 ? 46 A 8 +ATOM 692 H HB3 . GLN A 1 46 ? -22.427 10.36 -26.946 1.0 24.41 ? 46 A 8 +ATOM 693 H HG2 . GLN A 1 46 ? -20.993 8.535 -27.08 1.0 71.34 ? 46 A 8 +ATOM 694 H HG3 . GLN A 1 46 ? -19.552 9.537 -26.92 1.0 12.44 ? 46 A 8 +ATOM 695 H HE21 . GLN A 1 46 ? -22.489 8.662 -25.139 1.0 61.21 ? 46 A 8 +ATOM 696 H HE22 . GLN A 1 46 ? -21.734 8.589 -23.587 1.0 54.41 ? 46 A 8 +ATOM 697 N N . ARG A 1 47 ? -19.468 12.971 -27.916 1.0 11.31 ? 47 A 8 +ATOM 698 C CA . ARG A 1 47 ? -18.16 13.613 -27.873 1.0 74.42 ? 47 A 8 +ATOM 699 C C . ARG A 1 47 ? -17.949 14.327 -26.541 1.0 0.05 ? 47 A 8 +ATOM 700 O O . ARG A 1 47 ? -18.901 14.575 -25.799 1.0 62.43 ? 47 A 8 +ATOM 701 C CB . ARG A 1 47 ? -18.02 14.61 -29.025 1.0 53.24 ? 47 A 8 +ATOM 702 C CG . ARG A 1 47 ? -17.111 14.125 -30.143 1.0 25.13 ? 47 A 8 +ATOM 703 C CD . ARG A 1 47 ? -17.857 13.228 -31.118 1.0 74.31 ? 47 A 8 +ATOM 704 N NE . ARG A 1 47 ? -17.25 11.903 -31.217 1.0 72.02 ? 47 A 8 +ATOM 705 C CZ . ARG A 1 47 ? -16.113 11.662 -31.859 1.0 4.33 ? 47 A 8 +ATOM 706 N NH1 . ARG A 1 47 ? -15.461 12.651 -32.455 1.0 22.33 ? 47 A 8 +ATOM 707 N NH2 . ARG A 1 47 ? -15.624 10.429 -31.905 1.0 24.44 ? 47 A 8 +ATOM 708 H H . ARG A 1 47 ? -20.255 13.468 -27.61 1.0 14.32 ? 47 A 8 +ATOM 709 H HA . ARG A 1 47 ? -17.409 12.845 -27.98 1.0 52.1 ? 47 A 8 +ATOM 710 H HB2 . ARG A 1 47 ? -18.998 14.799 -29.443 1.0 12.43 ? 47 A 8 +ATOM 711 H HB3 . ARG A 1 47 ? -17.617 15.534 -28.639 1.0 31.22 ? 47 A 8 +ATOM 712 H HG2 . ARG A 1 47 ? -16.727 14.98 -30.679 1.0 2.15 ? 47 A 8 +ATOM 713 H HG3 . ARG A 1 47 ? -16.291 13.57 -29.711 1.0 3.22 ? 47 A 8 +ATOM 714 H HD2 . ARG A 1 47 ? -18.877 13.122 -30.781 1.0 62.34 ? 47 A 8 +ATOM 715 H HD3 . ARG A 1 47 ? -17.847 13.693 -32.093 1.0 4.32 ? 47 A 8 +ATOM 716 H HE . ARG A 1 47 ? -17.715 11.158 -30.784 1.0 51.12 ? 47 A 8 +ATOM 717 H HH11 . ARG A 1 47 ? -15.826 13.581 -32.421 1.0 35.02 ? 47 A 8 +ATOM 718 H HH12 . ARG A 1 47 ? -14.604 12.467 -32.936 1.0 42.25 ? 47 A 8 +ATOM 719 H HH21 . ARG A 1 47 ? -16.112 9.681 -31.457 1.0 32.54 ? 47 A 8 +ATOM 720 H HH22 . ARG A 1 47 ? -14.768 10.249 -32.388 1.0 51.04 ? 47 A 8 +ATOM 721 N N . LEU A 1 48 ? -16.696 14.654 -26.243 1.0 13.42 ? 48 A 8 +ATOM 722 C CA . LEU A 1 48 ? -16.359 15.338 -25.0 1.0 63.04 ? 48 A 8 +ATOM 723 C C . LEU A 1 48 ? -16.074 16.816 -25.251 1.0 70.54 ? 48 A 8 +ATOM 724 O O . LEU A 1 48 ? -15.571 17.189 -26.311 1.0 13.22 ? 48 A 8 +ATOM 725 C CB . LEU A 1 48 ? -15.145 14.678 -24.344 1.0 73.22 ? 48 A 8 +ATOM 726 C CG . LEU A 1 48 ? -15.069 13.155 -24.454 1.0 23.01 ? 48 A 8 +ATOM 727 C CD1 . LEU A 1 48 ? -16.443 12.535 -24.255 1.0 2.23 ? 48 A 8 +ATOM 728 C CD2 . LEU A 1 48 ? -14.488 12.746 -25.799 1.0 62.5 ? 48 A 8 +ATOM 729 H H . LEU A 1 48 ? -15.981 14.43 -26.873 1.0 13.1 ? 48 A 8 +ATOM 730 H HA . LEU A 1 48 ? -17.207 15.256 -24.336 1.0 5.14 ? 48 A 8 +ATOM 731 H HB2 . LEU A 1 48 ? -14.258 15.087 -24.802 1.0 14.35 ? 48 A 8 +ATOM 732 H HB3 . LEU A 1 48 ? -15.157 14.935 -23.294 1.0 62.22 ? 48 A 8 +ATOM 733 H HG . LEU A 1 48 ? -14.417 12.776 -23.678 1.0 74.12 ? 48 A 8 +ATOM 734 H HD11 . LEU A 1 48 ? -17.056 13.201 -23.666 1.0 72.12 ? 48 A 8 +ATOM 735 H HD12 . LEU A 1 48 ? -16.342 11.591 -23.741 1.0 51.52 ? 48 A 8 +ATOM 736 H HD13 . LEU A 1 48 ? -16.908 12.374 -25.216 1.0 50.13 ? 48 A 8 +ATOM 737 H HD21 . LEU A 1 48 ? -15.288 12.619 -26.513 1.0 32.51 ? 48 A 8 +ATOM 738 H HD22 . LEU A 1 48 ? -13.95 11.815 -25.691 1.0 4.35 ? 48 A 8 +ATOM 739 H HD23 . LEU A 1 48 ? -13.811 13.513 -26.148 1.0 44.23 ? 48 A 8 +ATOM 740 N N . ILE A 1 49 ? -16.398 17.651 -24.27 1.0 13.31 ? 49 A 8 +ATOM 741 C CA . ILE A 1 49 ? -16.174 19.087 -24.384 1.0 13.25 ? 49 A 8 +ATOM 742 C C . ILE A 1 49 ? -15.663 19.669 -23.071 1.0 73.24 ? 49 A 8 +ATOM 743 O O . ILE A 1 49 ? -16.302 19.533 -22.028 1.0 20.41 ? 49 A 8 +ATOM 744 C CB . ILE A 1 49 ? -17.461 19.826 -24.795 1.0 42.12 ? 49 A 8 +ATOM 745 C CG1 . ILE A 1 49 ? -17.497 20.03 -26.311 1.0 21.4 ? 49 A 8 +ATOM 746 C CG2 . ILE A 1 49 ? -17.557 21.162 -24.073 1.0 44.11 ? 49 A 8 +ATOM 747 C CD1 . ILE A 1 49 ? -18.76 19.508 -26.96 1.0 30.32 ? 49 A 8 +ATOM 748 H H . ILE A 1 49 ? -16.797 17.293 -23.45 1.0 11.12 ? 49 A 8 +ATOM 749 H HA . ILE A 1 49 ? -15.43 19.247 -25.151 1.0 31.54 ? 49 A 8 +ATOM 750 H HB . ILE A 1 49 ? -18.306 19.224 -24.499 1.0 10.22 ? 49 A 8 +ATOM 751 H HG12 . ILE A 1 49 ? -17.424 21.083 -26.528 1.0 52.53 ? 49 A 8 +ATOM 752 H HG13 . ILE A 1 49 ? -16.658 19.515 -26.755 1.0 23.14 ? 49 A 8 +ATOM 753 H HG21 . ILE A 1 49 ? -17.771 20.993 -23.028 1.0 54.41 ? 49 A 8 +ATOM 754 H HG22 . ILE A 1 49 ? -16.619 21.689 -24.166 1.0 2.4 ? 49 A 8 +ATOM 755 H HG23 . ILE A 1 49 ? -18.347 21.753 -24.511 1.0 53.42 ? 49 A 8 +ATOM 756 H HD11 . ILE A 1 49 ? -19.365 19.006 -26.219 1.0 43.14 ? 49 A 8 +ATOM 757 H HD12 . ILE A 1 49 ? -19.317 20.333 -27.379 1.0 61.33 ? 49 A 8 +ATOM 758 H HD13 . ILE A 1 49 ? -18.501 18.813 -27.744 1.0 3.14 ? 49 A 8 +ATOM 759 N N . PHE A 1 50 ? -14.506 20.321 -23.13 1.0 0.44 ? 50 A 8 +ATOM 760 C CA . PHE A 1 50 ? -13.909 20.927 -21.946 1.0 63.4 ? 50 A 8 +ATOM 761 C C . PHE A 1 50 ? -13.563 22.391 -22.199 1.0 34.31 ? 50 A 8 +ATOM 762 O O . PHE A 1 50 ? -12.823 22.714 -23.127 1.0 24.03 ? 50 A 8 +ATOM 763 C CB . PHE A 1 50 ? -12.652 20.158 -21.533 1.0 1.31 ? 50 A 8 +ATOM 764 C CG . PHE A 1 50 ? -12.142 20.529 -20.17 1.0 63.44 ? 50 A 8 +ATOM 765 C CD1 . PHE A 1 50 ? -11.456 21.717 -19.972 1.0 63.22 ? 50 A 8 +ATOM 766 C CD2 . PHE A 1 50 ? -12.349 19.691 -19.087 1.0 31.12 ? 50 A 8 +ATOM 767 C CE1 . PHE A 1 50 ? -10.986 22.06 -18.719 1.0 44.05 ? 50 A 8 +ATOM 768 C CE2 . PHE A 1 50 ? -11.881 20.03 -17.831 1.0 53.14 ? 50 A 8 +ATOM 769 C CZ . PHE A 1 50 ? -11.2 21.217 -17.647 1.0 64.24 ? 50 A 8 +ATOM 770 H H . PHE A 1 50 ? -14.044 20.397 -23.991 1.0 32.43 ? 50 A 8 +ATOM 771 H HA . PHE A 1 50 ? -14.632 20.873 -21.147 1.0 55.42 ? 50 A 8 +ATOM 772 H HB2 . PHE A 1 50 ? -12.87 19.101 -21.529 1.0 72.21 ? 50 A 8 +ATOM 773 H HB3 . PHE A 1 50 ? -11.867 20.356 -22.248 1.0 52.42 ? 50 A 8 +ATOM 774 H HD1 . PHE A 1 50 ? -11.289 22.378 -20.81 1.0 64.41 ? 50 A 8 +ATOM 775 H HD2 . PHE A 1 50 ? -12.883 18.762 -19.23 1.0 25.0 ? 50 A 8 +ATOM 776 H HE1 . PHE A 1 50 ? -10.453 22.989 -18.578 1.0 33.34 ? 50 A 8 +ATOM 777 H HE2 . PHE A 1 50 ? -12.051 19.367 -16.995 1.0 34.14 ? 50 A 8 +ATOM 778 H HZ . PHE A 1 50 ? -10.833 21.483 -16.667 1.0 42.2 ? 50 A 8 +ATOM 779 N N . GLY A 1 51 ? -14.105 23.274 -21.365 1.0 53.44 ? 51 A 8 +ATOM 780 C CA . GLY A 1 51 ? -13.843 24.693 -21.515 1.0 33.5 ? 51 A 8 +ATOM 781 C C . GLY A 1 51 ? -14.419 25.257 -22.8 1.0 34.32 ? 51 A 8 +ATOM 782 O O . GLY A 1 51 ? -14.127 26.392 -23.173 1.0 0.02 ? 51 A 8 +ATOM 783 H H . GLY A 1 51 ? -14.687 22.958 -20.643 1.0 14.34 ? 51 A 8 +ATOM 784 H HA2 . GLY A 1 51 ? -14.277 25.219 -20.678 1.0 71.3 ? 51 A 8 +ATOM 785 H HA3 . GLY A 1 51 ? -12.775 24.853 -21.513 1.0 2.33 ? 51 A 8 +ATOM 786 N N . GLY A 1 52 ? -15.239 24.46 -23.478 1.0 51.33 ? 52 A 8 +ATOM 787 C CA . GLY A 1 52 ? -15.842 24.902 -24.722 1.0 70.11 ? 52 A 8 +ATOM 788 C C . GLY A 1 52 ? -15.308 24.15 -25.925 1.0 64.35 ? 52 A 8 +ATOM 789 O O . GLY A 1 52 ? -16.016 23.964 -26.915 1.0 21.12 ? 52 A 8 +ATOM 790 H H . GLY A 1 52 ? -15.436 23.564 -23.132 1.0 52.33 ? 52 A 8 +ATOM 791 H HA2 . GLY A 1 52 ? -16.91 24.755 -24.663 1.0 34.31 ? 52 A 8 +ATOM 792 H HA3 . GLY A 1 52 ? -15.641 25.955 -24.852 1.0 33.12 ? 52 A 8 +ATOM 793 N N . LYS A 1 53 ? -14.055 23.718 -25.842 1.0 4.12 ? 53 A 8 +ATOM 794 C CA . LYS A 1 53 ? -13.425 22.982 -26.932 1.0 20.15 ? 53 A 8 +ATOM 795 C C . LYS A 1 53 ? -13.564 21.478 -26.725 1.0 12.34 ? 53 A 8 +ATOM 796 O O . LYS A 1 53 ? -13.563 20.996 -25.593 1.0 53.3 ? 53 A 8 +ATOM 797 C CB . LYS A 1 53 ? -11.945 23.358 -27.04 1.0 12.13 ? 53 A 8 +ATOM 798 C CG . LYS A 1 53 ? -11.185 23.22 -25.732 1.0 34.42 ? 53 A 8 +ATOM 799 C CD . LYS A 1 53 ? -10.567 21.84 -25.59 1.0 44.0 ? 53 A 8 +ATOM 800 C CE . LYS A 1 53 ? -9.478 21.607 -26.626 1.0 75.53 ? 53 A 8 +ATOM 801 N NZ . LYS A 1 53 ? -8.118 21.644 -26.02 1.0 61.53 ? 53 A 8 +ATOM 802 H H . LYS A 1 53 ? -13.541 23.897 -25.026 1.0 32.12 ? 53 A 8 +ATOM 803 H HA . LYS A 1 53 ? -13.925 23.255 -27.849 1.0 74.23 ? 53 A 8 +ATOM 804 H HB2 . LYS A 1 53 ? -11.476 22.719 -27.774 1.0 34.02 ? 53 A 8 +ATOM 805 H HB3 . LYS A 1 53 ? -11.87 24.385 -27.369 1.0 32.22 ? 53 A 8 +ATOM 806 H HG2 . LYS A 1 53 ? -10.399 23.96 -25.703 1.0 24.24 ? 53 A 8 +ATOM 807 H HG3 . LYS A 1 53 ? -11.868 23.386 -24.911 1.0 53.0 ? 53 A 8 +ATOM 808 H HD2 . LYS A 1 53 ? -10.135 21.748 -24.604 1.0 22.42 ? 53 A 8 +ATOM 809 H HD3 . LYS A 1 53 ? -11.339 21.094 -25.717 1.0 0.05 ? 53 A 8 +ATOM 810 H HE2 . LYS A 1 53 ? -9.634 20.642 -27.082 1.0 25.2 ? 53 A 8 +ATOM 811 H HE3 . LYS A 1 53 ? -9.548 22.377 -27.381 1.0 75.24 ? 53 A 8 +ATOM 812 H HZ1 . LYS A 1 53 ? -7.683 22.576 -26.175 1.0 1.33 ? 53 A 8 +ATOM 813 H HZ2 . LYS A 1 53 ? -7.515 20.915 -26.452 1.0 14.14 ? 53 A 8 +ATOM 814 H HZ3 . LYS A 1 53 ? -8.178 21.467 -24.997 1.0 31.25 ? 53 A 8 +ATOM 815 N N . GLN A 1 54 ? -13.682 20.742 -27.826 1.0 32.1 ? 54 A 8 +ATOM 816 C CA . GLN A 1 54 ? -13.821 19.292 -27.763 1.0 3.14 ? 54 A 8 +ATOM 817 C C . GLN A 1 54 ? -12.519 18.639 -27.311 1.0 14.5 ? 54 A 8 +ATOM 818 O O . GLN A 1 54 ? -11.467 19.279 -27.289 1.0 22.04 ? 54 A 8 +ATOM 819 C CB . GLN A 1 54 ? -14.236 18.739 -29.128 1.0 14.03 ? 54 A 8 +ATOM 820 C CG . GLN A 1 54 ? -15.551 17.976 -29.101 1.0 52.41 ? 54 A 8 +ATOM 821 C CD . GLN A 1 54 ? -16.378 18.194 -30.352 1.0 44.23 ? 54 A 8 +ATOM 822 O OE1 . GLN A 1 54 ? -17.494 18.71 -30.291 1.0 25.33 ? 54 A 8 +ATOM 823 N NE2 . GLN A 1 54 ? -15.833 17.801 -31.498 1.0 63.1 ? 54 A 8 +ATOM 824 H H . GLN A 1 54 ? -13.676 21.184 -28.699 1.0 52.11 ? 54 A 8 +ATOM 825 H HA . GLN A 1 54 ? -14.592 19.064 -27.043 1.0 62.04 ? 54 A 8 +ATOM 826 H HB2 . GLN A 1 54 ? -14.336 19.561 -29.821 1.0 31.24 ? 54 A 8 +ATOM 827 H HB3 . GLN A 1 54 ? -13.465 18.071 -29.482 1.0 25.42 ? 54 A 8 +ATOM 828 H HG2 . GLN A 1 54 ? -15.339 16.921 -29.007 1.0 52.11 ? 54 A 8 +ATOM 829 H HG3 . GLN A 1 54 ? -16.124 18.304 -28.246 1.0 53.52 ? 54 A 8 +ATOM 830 H HE21 . GLN A 1 54 ? -14.94 17.396 -31.47 1.0 45.55 ? 54 A 8 +ATOM 831 H HE22 . GLN A 1 54 ? -16.346 17.929 -32.322 1.0 62.42 ? 54 A 8 +ATOM 832 N N . LEU A 1 55 ? -12.597 17.363 -26.952 1.0 51.34 ? 55 A 8 +ATOM 833 C CA . LEU A 1 55 ? -11.424 16.622 -26.5 1.0 40.45 ? 55 A 8 +ATOM 834 C C . LEU A 1 55 ? -11.089 15.49 -27.466 1.0 63.5 ? 55 A 8 +ATOM 835 O O . LEU A 1 55 ? -11.945 14.672 -27.798 1.0 52.11 ? 55 A 8 +ATOM 836 C CB . LEU A 1 55 ? -11.661 16.058 -25.098 1.0 25.03 ? 55 A 8 +ATOM 837 C CG . LEU A 1 55 ? -12.266 17.025 -24.079 1.0 41.33 ? 55 A 8 +ATOM 838 C CD1 . LEU A 1 55 ? -12.309 16.388 -22.699 1.0 33.24 ? 55 A 8 +ATOM 839 C CD2 . LEU A 1 55 ? -11.476 18.325 -24.044 1.0 52.23 ? 55 A 8 +ATOM 840 H H . LEU A 1 55 ? -13.462 16.906 -26.991 1.0 12.34 ? 55 A 8 +ATOM 841 H HA . LEU A 1 55 ? -10.591 17.309 -26.467 1.0 22.21 ? 55 A 8 +ATOM 842 H HB2 . LEU A 1 55 ? -12.328 15.215 -25.19 1.0 55.1 ? 55 A 8 +ATOM 843 H HB3 . LEU A 1 55 ? -10.709 15.722 -24.712 1.0 51.11 ? 55 A 8 +ATOM 844 H HG . LEU A 1 55 ? -13.281 17.257 -24.371 1.0 72.12 ? 55 A 8 +ATOM 845 H HD11 . LEU A 1 55 ? -12.173 17.149 -21.947 1.0 32.04 ? 55 A 8 +ATOM 846 H HD12 . LEU A 1 55 ? -11.52 15.655 -22.616 1.0 44.35 ? 55 A 8 +ATOM 847 H HD13 . LEU A 1 55 ? -13.264 15.905 -22.555 1.0 32.21 ? 55 A 8 +ATOM 848 H HD21 . LEU A 1 55 ? -12.079 19.123 -24.451 1.0 33.14 ? 55 A 8 +ATOM 849 H HD22 . LEU A 1 55 ? -10.578 18.216 -24.633 1.0 72.01 ? 55 A 8 +ATOM 850 H HD23 . LEU A 1 55 ? -11.211 18.558 -23.023 1.0 74.33 ? 55 A 8 +ATOM 851 N N . GLU A 1 56 ? -9.837 15.45 -27.912 1.0 12.02 ? 56 A 8 +ATOM 852 C CA . GLU A 1 56 ? -9.389 14.417 -28.838 1.0 31.33 ? 56 A 8 +ATOM 853 C C . GLU A 1 56 ? -9.393 13.046 -28.168 1.0 62.51 ? 56 A 8 +ATOM 854 O O . GLU A 1 56 ? -9.828 12.903 -27.025 1.0 51.02 ? 56 A 8 +ATOM 855 C CB . GLU A 1 56 ? -7.986 14.739 -29.357 1.0 62.01 ? 56 A 8 +ATOM 856 C CG . GLU A 1 56 ? -7.895 14.792 -30.873 1.0 21.02 ? 56 A 8 +ATOM 857 C CD . GLU A 1 56 ? -6.521 15.207 -31.361 1.0 1.0 ? 56 A 8 +ATOM 858 O OE1 . GLU A 1 56 ? -6.161 16.39 -31.184 1.0 61.34 ? 56 A 8 +ATOM 859 O OE2 . GLU A 1 56 ? -5.805 14.35 -31.918 1.0 22.01 ? 56 A 8 +ATOM 860 H H . GLU A 1 56 ? -9.2 16.131 -27.61 1.0 72.43 ? 56 A 8 +ATOM 861 H HA . GLU A 1 56 ? -10.075 14.399 -29.671 1.0 4.21 ? 56 A 8 +ATOM 862 H HB2 . GLU A 1 56 ? -7.682 15.698 -28.965 1.0 41.11 ? 56 A 8 +ATOM 863 H HB3 . GLU A 1 56 ? -7.302 13.982 -29.003 1.0 51.02 ? 56 A 8 +ATOM 864 H HG2 . GLU A 1 56 ? -8.12 13.814 -31.269 1.0 71.31 ? 56 A 8 +ATOM 865 H HG3 . GLU A 1 56 ? -8.621 15.503 -31.24 1.0 60.44 ? 56 A 8 +ATOM 866 N N . ASP A 1 57 ? -8.907 12.041 -28.888 1.0 71.03 ? 57 A 8 +ATOM 867 C CA . ASP A 1 57 ? -8.853 10.681 -28.364 1.0 63.41 ? 57 A 8 +ATOM 868 C C . ASP A 1 57 ? -7.76 10.548 -27.309 1.0 21.4 ? 57 A 8 +ATOM 869 O O . ASP A 1 57 ? -7.824 9.678 -26.44 1.0 43.31 ? 57 A 8 +ATOM 870 C CB . ASP A 1 57 ? -8.61 9.684 -29.498 1.0 45.31 ? 57 A 8 +ATOM 871 C CG . ASP A 1 57 ? -9.717 9.702 -30.533 1.0 55.43 ? 57 A 8 +ATOM 872 O OD1 . ASP A 1 57 ? -10.895 9.552 -30.144 1.0 72.35 ? 57 A 8 +ATOM 873 O OD2 . ASP A 1 57 ? -9.407 9.867 -31.731 1.0 15.11 ? 57 A 8 +ATOM 874 H H . ASP A 1 57 ? -8.575 12.218 -29.793 1.0 23.12 ? 57 A 8 +ATOM 875 H HA . ASP A 1 57 ? -9.806 10.465 -27.906 1.0 62.14 ? 57 A 8 +ATOM 876 H HB2 . ASP A 1 57 ? -7.679 9.929 -29.99 1.0 24.44 ? 57 A 8 +ATOM 877 H HB3 . ASP A 1 57 ? -8.543 8.689 -29.085 1.0 64.03 ? 57 A 8 +ATOM 878 N N . SER A 1 58 ? -6.756 11.415 -27.392 1.0 32.51 ? 58 A 8 +ATOM 879 C CA . SER A 1 58 ? -5.645 11.391 -26.448 1.0 62.24 ? 58 A 8 +ATOM 880 C C . SER A 1 58 ? -5.684 12.61 -25.532 1.0 2.12 ? 58 A 8 +ATOM 881 O O . SER A 1 58 ? -4.791 12.813 -24.711 1.0 12.21 ? 58 A 8 +ATOM 882 C CB . SER A 1 58 ? -4.312 11.345 -27.197 1.0 65.11 ? 58 A 8 +ATOM 883 O OG . SER A 1 58 ? -3.226 11.201 -26.297 1.0 34.21 ? 58 A 8 +ATOM 884 H H . SER A 1 58 ? -6.761 12.085 -28.108 1.0 21.03 ? 58 A 8 +ATOM 885 H HA . SER A 1 58 ? -5.741 10.5 -25.846 1.0 33.55 ? 58 A 8 +ATOM 886 H HB2 . SER A 1 58 ? -4.313 10.507 -27.877 1.0 31.42 ? 58 A 8 +ATOM 887 H HB3 . SER A 1 58 ? -4.183 12.261 -27.754 1.0 40.4 ? 58 A 8 +ATOM 888 H HG . SER A 1 58 ? -2.462 10.862 -26.769 1.0 10.23 ? 58 A 8 +ATOM 889 N N . ASN A 1 59 ? -6.728 13.42 -25.679 1.0 35.41 ? 59 A 8 +ATOM 890 C CA . ASN A 1 59 ? -6.885 14.62 -24.866 1.0 52.34 ? 59 A 8 +ATOM 891 C C . ASN A 1 59 ? -7.578 14.296 -23.546 1.0 4.01 ? 59 A 8 +ATOM 892 O O . ASN A 1 59 ? -8.779 14.517 -23.393 1.0 42.21 ? 59 A 8 +ATOM 893 C CB . ASN A 1 59 ? -7.686 15.677 -25.629 1.0 21.1 ? 59 A 8 +ATOM 894 C CG . ASN A 1 59 ? -7.604 17.045 -24.98 1.0 14.54 ? 59 A 8 +ATOM 895 O OD1 . ASN A 1 59 ? -7.754 17.178 -23.765 1.0 24.42 ? 59 A 8 +ATOM 896 N ND2 . ASN A 1 59 ? -7.366 18.071 -25.789 1.0 14.44 ? 59 A 8 +ATOM 897 H H . ASN A 1 59 ? -7.409 13.205 -26.351 1.0 5.51 ? 59 A 8 +ATOM 898 H HA . ASN A 1 59 ? -5.901 15.01 -24.657 1.0 74.51 ? 59 A 8 +ATOM 899 H HB2 . ASN A 1 59 ? -7.301 15.754 -26.636 1.0 43.43 ? 59 A 8 +ATOM 900 H HB3 . ASN A 1 59 ? -8.723 15.378 -25.667 1.0 11.21 ? 59 A 8 +ATOM 901 H HD21 . ASN A 1 59 ? -7.258 17.89 -26.747 1.0 21.33 ? 59 A 8 +ATOM 902 H HD22 . ASN A 1 59 ? -7.308 18.966 -25.396 1.0 12.0 ? 59 A 8 +ATOM 903 N N . ALA A 1 60 ? -6.812 13.773 -22.595 1.0 13.11 ? 60 A 8 +ATOM 904 C CA . ALA A 1 60 ? -7.35 13.421 -21.287 1.0 35.51 ? 60 A 8 +ATOM 905 C C . ALA A 1 60 ? -6.24 12.995 -20.332 1.0 74.01 ? 60 A 8 +ATOM 906 O O . ALA A 1 60 ? -5.789 13.782 -19.5 1.0 74.24 ? 60 A 8 +ATOM 907 C CB . ALA A 1 60 ? -8.385 12.314 -21.423 1.0 64.13 ? 60 A 8 +ATOM 908 H H . ALA A 1 60 ? -5.861 13.621 -22.777 1.0 31.12 ? 60 A 8 +ATOM 909 H HA . ALA A 1 60 ? -7.844 14.294 -20.883 1.0 20.01 ? 60 A 8 +ATOM 910 H HB1 . ALA A 1 60 ? -7.928 11.449 -21.881 1.0 72.33 ? 60 A 8 +ATOM 911 H HB2 . ALA A 1 60 ? -8.759 12.049 -20.445 1.0 25.02 ? 60 A 8 +ATOM 912 H HB3 . ALA A 1 60 ? -9.202 12.659 -22.04 1.0 51.02 ? 60 A 8 +ATOM 913 N N . MET A 1 61 ? -5.804 11.746 -20.458 1.0 21.52 ? 61 A 8 +ATOM 914 C CA . MET A 1 61 ? -4.746 11.217 -19.606 1.0 32.03 ? 61 A 8 +ATOM 915 C C . MET A 1 61 ? -3.389 11.784 -20.009 1.0 55.14 ? 61 A 8 +ATOM 916 O O . MET A 1 61 ? -2.715 12.434 -19.21 1.0 73.23 ? 61 A 8 +ATOM 917 C CB . MET A 1 61 ? -4.716 9.689 -19.682 1.0 33.12 ? 61 A 8 +ATOM 918 C CG . MET A 1 61 ? -6.098 9.056 -19.714 1.0 10.31 ? 61 A 8 +ATOM 919 S SD . MET A 1 61 ? -7.178 9.679 -18.411 1.0 3.45 ? 61 A 8 +ATOM 920 C CE . MET A 1 61 ? -8.764 9.646 -19.243 1.0 11.34 ? 61 A 8 +ATOM 921 H H . MET A 1 61 ? -6.203 11.166 -21.141 1.0 44.35 ? 61 A 8 +ATOM 922 H HA . MET A 1 61 ? -4.96 11.514 -18.59 1.0 14.21 ? 61 A 8 +ATOM 923 H HB2 . MET A 1 61 ? -4.189 9.395 -20.577 1.0 14.23 ? 61 A 8 +ATOM 924 H HB3 . MET A 1 61 ? -4.189 9.307 -18.821 1.0 0.24 ? 61 A 8 +ATOM 925 H HG2 . MET A 1 61 ? -6.554 9.264 -20.67 1.0 62.14 ? 61 A 8 +ATOM 926 H HG3 . MET A 1 61 ? -5.991 7.988 -19.594 1.0 32.0 ? 61 A 8 +ATOM 927 H HE1 . MET A 1 61 ? -9.24 10.611 -19.147 1.0 54.23 ? 61 A 8 +ATOM 928 H HE2 . MET A 1 61 ? -8.618 9.419 -20.288 1.0 64.31 ? 61 A 8 +ATOM 929 H HE3 . MET A 1 61 ? -9.39 8.889 -18.794 1.0 24.11 ? 61 A 8 +ATOM 930 N N . SER A 1 62 ? -2.993 11.533 -21.253 1.0 73.15 ? 62 A 8 +ATOM 931 C CA . SER A 1 62 ? -1.714 12.015 -21.761 1.0 12.22 ? 62 A 8 +ATOM 932 C C . SER A 1 62 ? -1.625 13.535 -21.654 1.0 13.52 ? 62 A 8 +ATOM 933 O O . SER A 1 62 ? -0.552 14.09 -21.417 1.0 42.51 ? 62 A 8 +ATOM 934 C CB . SER A 1 62 ? -1.523 11.583 -23.216 1.0 62.33 ? 62 A 8 +ATOM 935 O OG . SER A 1 62 ? -0.885 12.599 -23.97 1.0 14.13 ? 62 A 8 +ATOM 936 H H . SER A 1 62 ? -3.575 11.009 -21.843 1.0 74.25 ? 62 A 8 +ATOM 937 H HA . SER A 1 62 ? -0.932 11.578 -21.158 1.0 74.15 ? 62 A 8 +ATOM 938 H HB2 . SER A 1 62 ? -0.914 10.692 -23.247 1.0 54.41 ? 62 A 8 +ATOM 939 H HB3 . SER A 1 62 ? -2.487 11.375 -23.656 1.0 23.45 ? 62 A 8 +ATOM 940 H HG . SER A 1 62 ? -1.545 13.095 -24.46 1.0 1.23 ? 62 A 8 +ATOM 941 N N . ASP A 1 63 ? -2.761 14.201 -21.83 1.0 34.33 ? 63 A 8 +ATOM 942 C CA . ASP A 1 63 ? -2.814 15.656 -21.753 1.0 10.21 ? 63 A 8 +ATOM 943 C C . ASP A 1 63 ? -2.322 16.147 -20.395 1.0 63.54 ? 63 A 8 +ATOM 944 O O . ASP A 1 63 ? -1.86 17.281 -20.263 1.0 31.33 ? 63 A 8 +ATOM 945 C CB . ASP A 1 63 ? -4.24 16.15 -22.002 1.0 21.1 ? 63 A 8 +ATOM 946 C CG . ASP A 1 63 ? -4.283 17.605 -22.425 1.0 12.2 ? 63 A 8 +ATOM 947 O OD1 . ASP A 1 63 ? -4.236 18.483 -21.538 1.0 53.24 ? 63 A 8 +ATOM 948 O OD2 . ASP A 1 63 ? -4.362 17.866 -23.643 1.0 3.13 ? 63 A 8 +ATOM 949 H H . ASP A 1 63 ? -3.584 13.702 -22.016 1.0 14.4 ? 63 A 8 +ATOM 950 H HA . ASP A 1 63 ? -2.166 16.053 -22.521 1.0 72.42 ? 63 A 8 +ATOM 951 H HB2 . ASP A 1 63 ? -4.689 15.554 -22.783 1.0 63.34 ? 63 A 8 +ATOM 952 H HB3 . ASP A 1 63 ? -4.815 16.04 -21.095 1.0 44.51 ? 63 A 8 +ATOM 953 N N . TYR A 1 64 ? -2.424 15.286 -19.389 1.0 43.15 ? 64 A 8 +ATOM 954 C CA . TYR A 1 64 ? -1.993 15.633 -18.04 1.0 74.44 ? 64 A 8 +ATOM 955 C C . TYR A 1 64 ? -3.036 16.5 -17.341 1.0 35.31 ? 64 A 8 +ATOM 956 O O . TYR A 1 64 ? -2.725 17.222 -16.394 1.0 63.11 ? 64 A 8 +ATOM 957 C CB . TYR A 1 64 ? -0.651 16.365 -18.083 1.0 41.31 ? 64 A 8 +ATOM 958 C CG . TYR A 1 64 ? 0.176 16.187 -16.83 1.0 35.31 ? 64 A 8 +ATOM 959 C CD1 . TYR A 1 64 ? 0.744 14.959 -16.517 1.0 10.21 ? 64 A 8 +ATOM 960 C CD2 . TYR A 1 64 ? 0.389 17.248 -15.958 1.0 61.0 ? 64 A 8 +ATOM 961 C CE1 . TYR A 1 64 ? 1.5 14.792 -15.372 1.0 31.32 ? 64 A 8 +ATOM 962 C CE2 . TYR A 1 64 ? 1.144 17.091 -14.812 1.0 3.01 ? 64 A 8 +ATOM 963 C CZ . TYR A 1 64 ? 1.697 15.861 -14.524 1.0 35.43 ? 64 A 8 +ATOM 964 O OH . TYR A 1 64 ? 2.449 15.7 -13.383 1.0 23.32 ? 64 A 8 +ATOM 965 H H . TYR A 1 64 ? -2.801 14.397 -19.556 1.0 10.22 ? 64 A 8 +ATOM 966 H HA . TYR A 1 64 ? -1.874 14.715 -17.483 1.0 40.51 ? 64 A 8 +ATOM 967 H HB2 . TYR A 1 64 ? -0.073 15.994 -18.916 1.0 75.32 ? 64 A 8 +ATOM 968 H HB3 . TYR A 1 64 ? -0.829 17.422 -18.217 1.0 32.34 ? 64 A 8 +ATOM 969 H HD1 . TYR A 1 64 ? 0.588 14.123 -17.183 1.0 1.35 ? 64 A 8 +ATOM 970 H HD2 . TYR A 1 64 ? -0.046 18.21 -16.187 1.0 32.41 ? 64 A 8 +ATOM 971 H HE1 . TYR A 1 64 ? 1.934 13.829 -15.146 1.0 52.21 ? 64 A 8 +ATOM 972 H HE2 . TYR A 1 64 ? 1.299 17.928 -14.147 1.0 43.14 ? 64 A 8 +ATOM 973 H HH . TYR A 1 64 ? 3.372 15.586 -13.621 1.0 23.33 ? 64 A 8 +ATOM 974 N N . ASN A 1 65 ? -4.275 16.423 -17.815 1.0 61.21 ? 65 A 8 +ATOM 975 C CA . ASN A 1 65 ? -5.365 17.2 -17.237 1.0 70.22 ? 65 A 8 +ATOM 976 C C . ASN A 1 65 ? -6.359 16.292 -16.52 1.0 21.44 ? 65 A 8 +ATOM 977 O O . ASN A 1 65 ? -7.449 16.723 -16.142 1.0 22.24 ? 65 A 8 +ATOM 978 C CB . ASN A 1 65 ? -6.082 18.001 -18.326 1.0 30.31 ? 65 A 8 +ATOM 979 C CG . ASN A 1 65 ? -7.105 17.17 -19.076 1.0 75.23 ? 65 A 8 +ATOM 980 O OD1 . ASN A 1 65 ? -6.757 16.208 -19.761 1.0 74.2 ? 65 A 8 +ATOM 981 N ND2 . ASN A 1 65 ? -8.374 17.539 -18.95 1.0 12.4 ? 65 A 8 +ATOM 982 H H . ASN A 1 65 ? -4.461 15.829 -18.573 1.0 72.01 ? 65 A 8 +ATOM 983 H HA . ASN A 1 65 ? -4.939 17.886 -16.52 1.0 43.44 ? 65 A 8 +ATOM 984 H HB2 . ASN A 1 65 ? -6.59 18.839 -17.872 1.0 12.24 ? 65 A 8 +ATOM 985 H HB3 . ASN A 1 65 ? -5.353 18.368 -19.033 1.0 73.02 ? 65 A 8 +ATOM 986 H HD21 . ASN A 1 65 ? -8.577 18.316 -18.388 1.0 23.44 ? 65 A 8 +ATOM 987 H HD22 . ASN A 1 65 ? -9.056 17.019 -19.424 1.0 32.24 ? 65 A 8 +ATOM 988 N N . VAL A 1 66 ? -5.976 15.033 -16.334 1.0 11.4 ? 66 A 8 +ATOM 989 C CA . VAL A 1 66 ? -6.832 14.064 -15.661 1.0 70.45 ? 66 A 8 +ATOM 990 C C . VAL A 1 66 ? -6.594 14.073 -14.155 1.0 73.11 ? 66 A 8 +ATOM 991 O O . VAL A 1 66 ? -5.469 13.884 -13.694 1.0 33.12 ? 66 A 8 +ATOM 992 C CB . VAL A 1 66 ? -6.599 12.64 -16.198 1.0 40.11 ? 66 A 8 +ATOM 993 C CG1 . VAL A 1 66 ? -5.161 12.207 -15.957 1.0 32.21 ? 66 A 8 +ATOM 994 C CG2 . VAL A 1 66 ? -7.573 11.663 -15.557 1.0 25.13 ? 66 A 8 +ATOM 995 H H . VAL A 1 66 ? -5.095 14.749 -16.657 1.0 25.31 ? 66 A 8 +ATOM 996 H HA . VAL A 1 66 ? -7.86 14.336 -15.855 1.0 44.24 ? 66 A 8 +ATOM 997 H HB . VAL A 1 66 ? -6.776 12.645 -17.263 1.0 65.05 ? 66 A 8 +ATOM 998 H HG11 . VAL A 1 66 ? -4.952 11.316 -16.531 1.0 62.5 ? 66 A 8 +ATOM 999 H HG12 . VAL A 1 66 ? -4.491 12.998 -16.261 1.0 4.5 ? 66 A 8 +ATOM 1000 H HG13 . VAL A 1 66 ? -5.019 11.999 -14.906 1.0 12.32 ? 66 A 8 +ATOM 1001 H HG21 . VAL A 1 66 ? -8.568 11.846 -15.934 1.0 23.4 ? 66 A 8 +ATOM 1002 H HG22 . VAL A 1 66 ? -7.277 10.652 -15.795 1.0 64.2 ? 66 A 8 +ATOM 1003 H HG23 . VAL A 1 66 ? -7.565 11.797 -14.484 1.0 74.31 ? 66 A 8 +ATOM 1004 N N . GLN A 1 67 ? -7.661 14.295 -13.394 1.0 5.43 ? 67 A 8 +ATOM 1005 C CA . GLN A 1 67 ? -7.567 14.329 -11.939 1.0 15.5 ? 67 A 8 +ATOM 1006 C C . GLN A 1 67 ? -8.503 13.303 -11.309 1.0 62.54 ? 67 A 8 +ATOM 1007 O O . GLN A 1 67 ? -9.222 12.59 -12.01 1.0 44.01 ? 67 A 8 +ATOM 1008 C CB . GLN A 1 67 ? -7.9 15.728 -11.418 1.0 35.11 ? 67 A 8 +ATOM 1009 C CG . GLN A 1 67 ? -9.322 16.169 -11.725 1.0 11.21 ? 67 A 8 +ATOM 1010 C CD . GLN A 1 67 ? -9.394 17.595 -12.235 1.0 34.44 ? 67 A 8 +ATOM 1011 O OE1 . GLN A 1 67 ? -10.131 18.422 -11.698 1.0 41.54 ? 67 A 8 +ATOM 1012 N NE2 . GLN A 1 67 ? -8.626 17.89 -13.277 1.0 50.51 ? 67 A 8 +ATOM 1013 H H . GLN A 1 67 ? -8.531 14.439 -13.82 1.0 54.23 ? 67 A 8 +ATOM 1014 H HA . GLN A 1 67 ? -6.551 14.085 -11.667 1.0 21.13 ? 67 A 8 +ATOM 1015 H HB2 . GLN A 1 67 ? -7.765 15.742 -10.347 1.0 61.05 ? 67 A 8 +ATOM 1016 H HB3 . GLN A 1 67 ? -7.221 16.437 -11.868 1.0 21.05 ? 67 A 8 +ATOM 1017 H HG2 . GLN A 1 67 ? -9.735 15.513 -12.477 1.0 63.24 ? 67 A 8 +ATOM 1018 H HG3 . GLN A 1 67 ? -9.911 16.095 -10.822 1.0 63.02 ? 67 A 8 +ATOM 1019 H HE21 . GLN A 1 67 ? -8.064 17.18 -13.654 1.0 0.12 ? 67 A 8 +ATOM 1020 H HE22 . GLN A 1 67 ? -8.653 18.804 -13.628 1.0 72.41 ? 67 A 8 +ATOM 1021 N N . LYS A 1 68 ? -8.49 13.232 -9.983 1.0 63.33 ? 68 A 8 +ATOM 1022 C CA . LYS A 1 68 ? -9.338 12.294 -9.257 1.0 34.0 ? 68 A 8 +ATOM 1023 C C . LYS A 1 68 ? -10.813 12.627 -9.457 1.0 33.21 ? 68 A 8 +ATOM 1024 O O . LYS A 1 68 ? -11.668 11.743 -9.416 1.0 33.01 ? 68 A 8 +ATOM 1025 C CB . LYS A 1 68 ? -8.997 12.317 -7.765 1.0 41.41 ? 68 A 8 +ATOM 1026 C CG . LYS A 1 68 ? -9.835 11.359 -6.935 1.0 61.44 ? 68 A 8 +ATOM 1027 C CD . LYS A 1 68 ? -9.584 9.913 -7.329 1.0 43.41 ? 68 A 8 +ATOM 1028 C CE . LYS A 1 68 ? -8.613 9.237 -6.373 1.0 23.43 ? 68 A 8 +ATOM 1029 N NZ . LYS A 1 68 ? -9.154 9.169 -4.988 1.0 52.05 ? 68 A 8 +ATOM 1030 H H . LYS A 1 68 ? -7.894 13.827 -9.479 1.0 75.53 ? 68 A 8 +ATOM 1031 H HA . LYS A 1 68 ? -9.148 11.306 -9.646 1.0 31.4 ? 68 A 8 +ATOM 1032 H HB2 . LYS A 1 68 ? -7.957 12.052 -7.641 1.0 51.5 ? 68 A 8 +ATOM 1033 H HB3 . LYS A 1 68 ? -9.152 13.317 -7.387 1.0 62.4 ? 68 A 8 +ATOM 1034 H HG2 . LYS A 1 68 ? -9.585 11.486 -5.893 1.0 22.33 ? 68 A 8 +ATOM 1035 H HG3 . LYS A 1 68 ? -10.881 11.587 -7.087 1.0 45.02 ? 68 A 8 +ATOM 1036 H HD2 . LYS A 1 68 ? -10.52 9.376 -7.312 1.0 14.2 ? 68 A 8 +ATOM 1037 H HD3 . LYS A 1 68 ? -9.17 9.888 -8.327 1.0 13.53 ? 68 A 8 +ATOM 1038 H HE2 . LYS A 1 68 ? -8.421 8.235 -6.725 1.0 43.13 ? 68 A 8 +ATOM 1039 H HE3 . LYS A 1 68 ? -7.689 9.797 -6.363 1.0 63.42 ? 68 A 8 +ATOM 1040 H HZ1 . LYS A 1 68 ? -10.044 9.703 -4.925 1.0 1.54 ? 68 A 8 +ATOM 1041 H HZ2 . LYS A 1 68 ? -8.471 9.576 -4.317 1.0 73.32 ? 68 A 8 +ATOM 1042 H HZ3 . LYS A 1 68 ? -9.335 8.181 -4.722 1.0 23.44 ? 68 A 8 +ATOM 1043 N N . GLU A 1 69 ? -11.102 13.906 -9.676 1.0 51.1 ? 69 A 8 +ATOM 1044 C CA . GLU A 1 69 ? -12.474 14.353 -9.884 1.0 15.41 ? 69 A 8 +ATOM 1045 C C . GLU A 1 69 ? -12.534 15.451 -10.942 1.0 20.25 ? 69 A 8 +ATOM 1046 O O . GLU A 1 69 ? -12.669 16.632 -10.62 1.0 55.15 ? 69 A 8 +ATOM 1047 C CB . GLU A 1 69 ? -13.073 14.862 -8.571 1.0 42.14 ? 69 A 8 +ATOM 1048 C CG . GLU A 1 69 ? -12.162 15.816 -7.816 1.0 32.44 ? 69 A 8 +ATOM 1049 C CD . GLU A 1 69 ? -12.931 16.803 -6.96 1.0 60.3 ? 69 A 8 +ATOM 1050 O OE1 . GLU A 1 69 ? -13.66 16.358 -6.05 1.0 52.11 ? 69 A 8 +ATOM 1051 O OE2 . GLU A 1 69 ? -12.803 18.022 -7.202 1.0 33.22 ? 69 A 8 +ATOM 1052 H H . GLU A 1 69 ? -10.376 14.564 -9.698 1.0 51.55 ? 69 A 8 +ATOM 1053 H HA . GLU A 1 69 ? -13.05 13.507 -10.227 1.0 21.13 ? 69 A 8 +ATOM 1054 H HB2 . GLU A 1 69 ? -13.998 15.375 -8.786 1.0 70.35 ? 69 A 8 +ATOM 1055 H HB3 . GLU A 1 69 ? -13.281 14.016 -7.933 1.0 25.14 ? 69 A 8 +ATOM 1056 H HG2 . GLU A 1 69 ? -11.51 15.24 -7.175 1.0 60.54 ? 69 A 8 +ATOM 1057 H HG3 . GLU A 1 69 ? -11.567 16.366 -8.53 1.0 2.43 ? 69 A 8 +ATOM 1058 N N . SER A 1 70 ? -12.433 15.053 -12.206 1.0 51.41 ? 70 A 8 +ATOM 1059 C CA . SER A 1 70 ? -12.471 16.002 -13.312 1.0 50.24 ? 70 A 8 +ATOM 1060 C C . SER A 1 70 ? -13.877 16.098 -13.897 1.0 72.1 ? 70 A 8 +ATOM 1061 O O . SER A 1 70 ? -14.464 15.094 -14.302 1.0 13.02 ? 70 A 8 +ATOM 1062 C CB . SER A 1 70 ? -11.48 15.588 -14.402 1.0 75.43 ? 70 A 8 +ATOM 1063 O OG . SER A 1 70 ? -10.619 16.661 -14.742 1.0 45.33 ? 70 A 8 +ATOM 1064 H H . SER A 1 70 ? -12.327 14.097 -12.399 1.0 42.55 ? 70 A 8 +ATOM 1065 H HA . SER A 1 70 ? -12.187 16.97 -12.928 1.0 61.25 ? 70 A 8 +ATOM 1066 H HB2 . SER A 1 70 ? -10.883 14.762 -14.047 1.0 1.23 ? 70 A 8 +ATOM 1067 H HB3 . SER A 1 70 ? -12.025 15.285 -15.284 1.0 50.33 ? 70 A 8 +ATOM 1068 H HG . SER A 1 70 ? -11.121 17.344 -15.194 1.0 14.24 ? 70 A 8 +ATOM 1069 N N . THR A 1 71 ? -14.412 17.314 -13.939 1.0 52.55 ? 71 A 8 +ATOM 1070 C CA . THR A 1 71 ? -15.748 17.544 -14.473 1.0 43.33 ? 71 A 8 +ATOM 1071 C C . THR A 1 71 ? -15.693 17.937 -15.945 1.0 63.44 ? 71 A 8 +ATOM 1072 O O . THR A 1 71 ? -15.169 18.996 -16.295 1.0 13.52 ? 71 A 8 +ATOM 1073 C CB . THR A 1 71 ? -16.486 18.643 -13.687 1.0 4.41 ? 71 A 8 +ATOM 1074 O OG1 . THR A 1 71 ? -15.55 19.613 -13.204 1.0 4.41 ? 71 A 8 +ATOM 1075 C CG2 . THR A 1 71 ? -17.256 18.049 -12.517 1.0 4.35 ? 71 A 8 +ATOM 1076 H H . THR A 1 71 ? -13.894 18.075 -13.602 1.0 14.04 ? 71 A 8 +ATOM 1077 H HA . THR A 1 71 ? -16.308 16.624 -14.377 1.0 24.13 ? 71 A 8 +ATOM 1078 H HB . THR A 1 71 ? -17.188 19.13 -14.35 1.0 70.41 ? 71 A 8 +ATOM 1079 H HG1 . THR A 1 71 ? -15.951 20.121 -12.495 1.0 53.11 ? 71 A 8 +ATOM 1080 H HG21 . THR A 1 71 ? -16.706 17.212 -12.113 1.0 12.42 ? 71 A 8 +ATOM 1081 H HG22 . THR A 1 71 ? -18.224 17.712 -12.857 1.0 75.2 ? 71 A 8 +ATOM 1082 H HG23 . THR A 1 71 ? -17.384 18.799 -11.751 1.0 31.12 ? 71 A 8 +ATOM 1083 N N . LEU A 1 72 ? -16.235 17.08 -16.802 1.0 74.32 ? 72 A 8 +ATOM 1084 C CA . LEU A 1 72 ? -16.248 17.339 -18.238 1.0 62.12 ? 72 A 8 +ATOM 1085 C C . LEU A 1 72 ? -17.667 17.26 -18.793 1.0 14.1 ? 72 A 8 +ATOM 1086 O O . LEU A 1 72 ? -18.521 16.564 -18.244 1.0 22.33 ? 72 A 8 +ATOM 1087 C CB . LEU A 1 72 ? -15.348 16.338 -18.965 1.0 54.24 ? 72 A 8 +ATOM 1088 C CG . LEU A 1 72 ? -16.04 15.094 -19.522 1.0 12.34 ? 72 A 8 +ATOM 1089 C CD1 . LEU A 1 72 ? -16.411 15.299 -20.983 1.0 71.53 ? 72 A 8 +ATOM 1090 C CD2 . LEU A 1 72 ? -15.149 13.871 -19.362 1.0 45.31 ? 72 A 8 +ATOM 1091 H H . LEU A 1 72 ? -16.637 16.253 -16.463 1.0 40.44 ? 72 A 8 +ATOM 1092 H HA . LEU A 1 72 ? -15.866 18.336 -18.398 1.0 22.23 ? 72 A 8 +ATOM 1093 H HB2 . LEU A 1 72 ? -14.879 16.853 -19.789 1.0 24.33 ? 72 A 8 +ATOM 1094 H HB3 . LEU A 1 72 ? -14.588 16.011 -18.268 1.0 64.44 ? 72 A 8 +ATOM 1095 H HG . LEU A 1 72 ? -16.953 14.919 -18.969 1.0 60.22 ? 72 A 8 +ATOM 1096 H HD11 . LEU A 1 72 ? -16.052 14.464 -21.566 1.0 22.12 ? 72 A 8 +ATOM 1097 H HD12 . LEU A 1 72 ? -15.959 16.211 -21.344 1.0 11.12 ? 72 A 8 +ATOM 1098 H HD13 . LEU A 1 72 ? -17.485 15.369 -21.075 1.0 74.11 ? 72 A 8 +ATOM 1099 H HD21 . LEU A 1 72 ? -15.481 13.093 -20.034 1.0 45.11 ? 72 A 8 +ATOM 1100 H HD22 . LEU A 1 72 ? -15.206 13.515 -18.344 1.0 64.51 ? 72 A 8 +ATOM 1101 H HD23 . LEU A 1 72 ? -14.128 14.137 -19.595 1.0 15.53 ? 72 A 8 +ATOM 1102 N N . HIS A 1 73 ? -17.91 17.977 -19.885 1.0 22.1 ? 73 A 8 +ATOM 1103 C CA . HIS A 1 73 ? -19.225 17.987 -20.517 1.0 43.22 ? 73 A 8 +ATOM 1104 C C . HIS A 1 73 ? -19.276 16.999 -21.679 1.0 1.12 ? 73 A 8 +ATOM 1105 O O . HIS A 1 73 ? -18.515 17.116 -22.64 1.0 41.41 ? 73 A 8 +ATOM 1106 C CB . HIS A 1 73 ? -19.566 19.393 -21.011 1.0 34.11 ? 73 A 8 +ATOM 1107 C CG . HIS A 1 73 ? -19.401 20.452 -19.966 1.0 25.31 ? 73 A 8 +ATOM 1108 N ND1 . HIS A 1 73 ? -19.119 21.768 -20.266 1.0 22.31 ? 73 A 8 +ATOM 1109 C CD2 . HIS A 1 73 ? -19.48 20.384 -18.616 1.0 30.12 ? 73 A 8 +ATOM 1110 C CE1 . HIS A 1 73 ? -19.031 22.464 -19.146 1.0 74.03 ? 73 A 8 +ATOM 1111 N NE2 . HIS A 1 73 ? -19.246 21.647 -18.13 1.0 22.32 ? 73 A 8 +ATOM 1112 H H . HIS A 1 73 ? -17.188 18.513 -20.276 1.0 41.1 ? 73 A 8 +ATOM 1113 H HA . HIS A 1 73 ? -19.951 17.689 -19.775 1.0 23.25 ? 73 A 8 +ATOM 1114 H HB2 . HIS A 1 73 ? -18.921 19.642 -21.841 1.0 51.13 ? 73 A 8 +ATOM 1115 H HB3 . HIS A 1 73 ? -20.594 19.411 -21.343 1.0 64.13 ? 73 A 8 +ATOM 1116 H HD1 . HIS A 1 73 ? -19.0 22.137 -21.165 1.0 63.31 ? 73 A 8 +ATOM 1117 H HD2 . HIS A 1 73 ? -19.689 19.501 -18.029 1.0 71.43 ? 73 A 8 +ATOM 1118 H HE1 . HIS A 1 73 ? -18.819 23.52 -19.073 1.0 3.34 ? 73 A 8 +ATOM 1119 N N . LEU A 1 74 ? -20.178 16.028 -21.584 1.0 31.4 ? 74 A 8 +ATOM 1120 C CA . LEU A 1 74 ? -20.328 15.019 -22.627 1.0 41.22 ? 74 A 8 +ATOM 1121 C C . LEU A 1 74 ? -21.638 15.211 -23.384 1.0 21.0 ? 74 A 8 +ATOM 1122 O O . LEU A 1 74 ? -22.721 15.108 -22.809 1.0 70.53 ? 74 A 8 +ATOM 1123 C CB . LEU A 1 74 ? -20.278 13.617 -22.018 1.0 42.32 ? 74 A 8 +ATOM 1124 C CG . LEU A 1 74 ? -20.749 12.476 -22.922 1.0 13.02 ? 74 A 8 +ATOM 1125 C CD1 . LEU A 1 74 ? -20.015 12.513 -24.253 1.0 50.12 ? 74 A 8 +ATOM 1126 C CD2 . LEU A 1 74 ? -20.545 11.134 -22.235 1.0 22.4 ? 74 A 8 +ATOM 1127 H H . LEU A 1 74 ? -20.756 15.987 -20.794 1.0 53.04 ? 74 A 8 +ATOM 1128 H HA . LEU A 1 74 ? -19.506 15.133 -23.318 1.0 65.43 ? 74 A 8 +ATOM 1129 H HB2 . LEU A 1 74 ? -19.257 13.415 -21.736 1.0 22.02 ? 74 A 8 +ATOM 1130 H HB3 . LEU A 1 74 ? -20.901 13.618 -21.134 1.0 20.31 ? 74 A 8 +ATOM 1131 H HG . LEU A 1 74 ? -21.805 12.595 -23.12 1.0 34.12 ? 74 A 8 +ATOM 1132 H HD11 . LEU A 1 74 ? -19.014 12.887 -24.102 1.0 33.01 ? 74 A 8 +ATOM 1133 H HD12 . LEU A 1 74 ? -20.543 13.161 -24.937 1.0 1.34 ? 74 A 8 +ATOM 1134 H HD13 . LEU A 1 74 ? -19.969 11.516 -24.666 1.0 63.14 ? 74 A 8 +ATOM 1135 H HD21 . LEU A 1 74 ? -21.057 11.134 -21.284 1.0 12.32 ? 74 A 8 +ATOM 1136 H HD22 . LEU A 1 74 ? -19.49 10.968 -22.076 1.0 54.43 ? 74 A 8 +ATOM 1137 H HD23 . LEU A 1 74 ? -20.943 10.346 -22.859 1.0 14.02 ? 74 A 8 +ATOM 1138 N N . VAL A 1 75 ? -21.531 15.489 -24.68 1.0 43.5 ? 75 A 8 +ATOM 1139 C CA . VAL A 1 75 ? -22.707 15.691 -25.518 1.0 52.32 ? 75 A 8 +ATOM 1140 C C . VAL A 1 75 ? -22.857 14.566 -26.535 1.0 61.15 ? 75 A 8 +ATOM 1141 O O . VAL A 1 75 ? -21.882 14.138 -27.153 1.0 54.31 ? 75 A 8 +ATOM 1142 C CB . VAL A 1 75 ? -22.639 17.037 -26.264 1.0 24.5 ? 75 A 8 +ATOM 1143 C CG1 . VAL A 1 75 ? -22.725 18.197 -25.284 1.0 55.3 ? 75 A 8 +ATOM 1144 C CG2 . VAL A 1 75 ? -21.366 17.123 -27.093 1.0 64.14 ? 75 A 8 +ATOM 1145 H H . VAL A 1 75 ? -20.64 15.558 -25.082 1.0 70.11 ? 75 A 8 +ATOM 1146 H HA . VAL A 1 75 ? -23.576 15.703 -24.877 1.0 60.52 ? 75 A 8 +ATOM 1147 H HB . VAL A 1 75 ? -23.484 17.098 -26.934 1.0 44.41 ? 75 A 8 +ATOM 1148 H HG11 . VAL A 1 75 ? -21.939 18.105 -24.548 1.0 31.54 ? 75 A 8 +ATOM 1149 H HG12 . VAL A 1 75 ? -22.614 19.129 -25.817 1.0 61.34 ? 75 A 8 +ATOM 1150 H HG13 . VAL A 1 75 ? -23.684 18.178 -24.788 1.0 54.52 ? 75 A 8 +ATOM 1151 H HG21 . VAL A 1 75 ? -21.304 18.095 -27.558 1.0 5.24 ? 75 A 8 +ATOM 1152 H HG22 . VAL A 1 75 ? -20.51 16.973 -26.453 1.0 61.35 ? 75 A 8 +ATOM 1153 H HG23 . VAL A 1 75 ? -21.382 16.359 -27.857 1.0 24.43 ? 75 A 8 +ATOM 1154 N N . LEU A 1 76 ? -24.086 14.09 -26.705 1.0 35.1 ? 76 A 8 +ATOM 1155 C CA . LEU A 1 76 ? -24.366 13.013 -27.649 1.0 22.53 ? 76 A 8 +ATOM 1156 C C . LEU A 1 76 ? -25.433 13.434 -28.654 1.0 2.14 ? 76 A 8 +ATOM 1157 O O . LEU A 1 76 ? -26.432 14.056 -28.291 1.0 21.5 ? 76 A 8 +ATOM 1158 C CB . LEU A 1 76 ? -24.82 11.758 -26.901 1.0 73.12 ? 76 A 8 +ATOM 1159 C CG . LEU A 1 76 ? -24.572 11.75 -25.392 1.0 64.45 ? 76 A 8 +ATOM 1160 C CD1 . LEU A 1 76 ? -25.713 12.441 -24.66 1.0 24.13 ? 76 A 8 +ATOM 1161 C CD2 . LEU A 1 76 ? -24.399 10.325 -24.888 1.0 22.03 ? 76 A 8 +ATOM 1162 H H . LEU A 1 76 ? -24.823 14.471 -26.184 1.0 44.32 ? 76 A 8 +ATOM 1163 H HA . LEU A 1 76 ? -23.453 12.794 -28.182 1.0 53.04 ? 76 A 8 +ATOM 1164 H HB2 . LEU A 1 76 ? -25.881 11.643 -27.062 1.0 71.31 ? 76 A 8 +ATOM 1165 H HB3 . LEU A 1 76 ? -24.298 10.913 -27.328 1.0 62.14 ? 76 A 8 +ATOM 1166 H HG . LEU A 1 76 ? -23.662 12.294 -25.18 1.0 42.11 ? 76 A 8 +ATOM 1167 H HD11 . LEU A 1 76 ? -26.645 12.224 -25.16 1.0 12.14 ? 76 A 8 +ATOM 1168 H HD12 . LEU A 1 76 ? -25.545 13.507 -24.658 1.0 23.21 ? 76 A 8 +ATOM 1169 H HD13 . LEU A 1 76 ? -25.757 12.081 -23.642 1.0 40.2 ? 76 A 8 +ATOM 1170 H HD21 . LEU A 1 76 ? -23.644 10.305 -24.116 1.0 53.24 ? 76 A 8 +ATOM 1171 H HD22 . LEU A 1 76 ? -24.093 9.689 -25.706 1.0 72.02 ? 76 A 8 +ATOM 1172 H HD23 . LEU A 1 76 ? -25.336 9.968 -24.486 1.0 63.4 ? 76 A 8 +ATOM 1173 N N . ARG A 1 77 ? -25.216 13.089 -29.919 1.0 50.44 ? 77 A 8 +ATOM 1174 C CA . ARG A 1 77 ? -26.159 13.43 -30.977 1.0 12.4 ? 77 A 8 +ATOM 1175 C C . ARG A 1 77 ? -26.994 12.216 -31.373 1.0 10.32 ? 77 A 8 +ATOM 1176 O O . ARG A 1 77 ? -27.248 11.982 -32.555 1.0 12.43 ? 77 A 8 +ATOM 1177 C CB . ARG A 1 77 ? -25.415 13.971 -32.199 1.0 55.35 ? 77 A 8 +ATOM 1178 C CG . ARG A 1 77 ? -24.853 15.369 -32.0 1.0 12.22 ? 77 A 8 +ATOM 1179 C CD . ARG A 1 77 ? -23.388 15.329 -31.594 1.0 60.22 ? 77 A 8 +ATOM 1180 N NE . ARG A 1 77 ? -22.694 16.569 -31.929 1.0 64.33 ? 77 A 8 +ATOM 1181 C CZ . ARG A 1 77 ? -21.376 16.719 -31.847 1.0 13.31 ? 77 A 8 +ATOM 1182 N NH1 . ARG A 1 77 ? -20.615 15.711 -31.444 1.0 63.3 ? 77 A 8 +ATOM 1183 N NH2 . ARG A 1 77 ? -20.818 17.879 -32.169 1.0 70.54 ? 77 A 8 +ATOM 1184 H H . ARG A 1 77 ? -24.401 12.594 -30.147 1.0 2.41 ? 77 A 8 +ATOM 1185 H HA . ARG A 1 77 ? -26.818 14.197 -30.599 1.0 53.23 ? 77 A 8 +ATOM 1186 H HB2 . ARG A 1 77 ? -24.594 13.307 -32.429 1.0 41.04 ? 77 A 8 +ATOM 1187 H HB3 . ARG A 1 77 ? -26.094 13.994 -33.038 1.0 23.23 ? 77 A 8 +ATOM 1188 H HG2 . ARG A 1 77 ? -24.944 15.918 -32.926 1.0 3.21 ? 77 A 8 +ATOM 1189 H HG3 . ARG A 1 77 ? -25.419 15.867 -31.227 1.0 45.32 ? 77 A 8 +ATOM 1190 H HD2 . ARG A 1 77 ? -23.328 15.171 -30.528 1.0 24.22 ? 77 A 8 +ATOM 1191 H HD3 . ARG A 1 77 ? -22.909 14.509 -32.107 1.0 55.12 ? 77 A 8 +ATOM 1192 H HE . ARG A 1 77 ? -23.237 17.327 -32.229 1.0 41.44 ? 77 A 8 +ATOM 1193 H HH11 . ARG A 1 77 ? -21.033 14.836 -31.202 1.0 31.24 ? 77 A 8 +ATOM 1194 H HH12 . ARG A 1 77 ? -19.623 15.826 -31.384 1.0 72.5 ? 77 A 8 +ATOM 1195 H HH21 . ARG A 1 77 ? -21.388 18.641 -32.474 1.0 71.34 ? 77 A 8 +ATOM 1196 H HH22 . ARG A 1 77 ? -19.826 17.99 -32.107 1.0 1.44 ? 77 A 8 +ATOM 1197 N N . LEU A 1 78 ? -27.418 11.445 -30.377 1.0 31.03 ? 78 A 8 +ATOM 1198 C CA . LEU A 1 78 ? -28.224 10.254 -30.62 1.0 51.32 ? 78 A 8 +ATOM 1199 C C . LEU A 1 78 ? -29.516 10.611 -31.348 1.0 14.11 ? 78 A 8 +ATOM 1200 O O . LEU A 1 78 ? -29.887 9.964 -32.328 1.0 12.31 ? 78 A 8 +ATOM 1201 C CB . LEU A 1 78 ? -28.546 9.553 -29.299 1.0 42.51 ? 78 A 8 +ATOM 1202 C CG . LEU A 1 78 ? -27.626 8.394 -28.913 1.0 51.45 ? 78 A 8 +ATOM 1203 C CD1 . LEU A 1 78 ? -26.376 8.913 -28.219 1.0 14.44 ? 78 A 8 +ATOM 1204 C CD2 . LEU A 1 78 ? -28.362 7.405 -28.02 1.0 25.32 ? 78 A 8 +ATOM 1205 H H . LEU A 1 78 ? -27.183 11.682 -29.456 1.0 75.31 ? 78 A 8 +ATOM 1206 H HA . LEU A 1 78 ? -27.647 9.585 -31.242 1.0 64.2 ? 78 A 8 +ATOM 1207 H HB2 . LEU A 1 78 ? -28.496 10.291 -28.513 1.0 61.14 ? 78 A 8 +ATOM 1208 H HB3 . LEU A 1 78 ? -29.554 9.169 -29.367 1.0 62.32 ? 78 A 8 +ATOM 1209 H HG . LEU A 1 78 ? -27.318 7.873 -29.809 1.0 53.42 ? 78 A 8 +ATOM 1210 H HD11 . LEU A 1 78 ? -26.032 8.182 -27.504 1.0 3.24 ? 78 A 8 +ATOM 1211 H HD12 . LEU A 1 78 ? -26.605 9.837 -27.708 1.0 74.14 ? 78 A 8 +ATOM 1212 H HD13 . LEU A 1 78 ? -25.605 9.091 -28.954 1.0 11.41 ? 78 A 8 +ATOM 1213 H HD21 . LEU A 1 78 ? -27.689 7.037 -27.26 1.0 65.32 ? 78 A 8 +ATOM 1214 H HD22 . LEU A 1 78 ? -28.717 6.578 -28.617 1.0 65.43 ? 78 A 8 +ATOM 1215 H HD23 . LEU A 1 78 ? -29.201 7.898 -27.552 1.0 34.04 ? 78 A 8 +ATOM 1216 N N . ARG A 1 79 ? -30.196 11.645 -30.864 1.0 44.5 ? 79 A 8 +ATOM 1217 C CA . ARG A 1 79 ? -31.446 12.088 -31.469 1.0 54.44 ? 79 A 8 +ATOM 1218 C C . ARG A 1 79 ? -32.553 11.062 -31.245 1.0 43.43 ? 79 A 8 +ATOM 1219 O O . ARG A 1 79 ? -33.433 11.258 -30.408 1.0 24.23 ? 79 A 8 +ATOM 1220 C CB . ARG A 1 79 ? -31.255 12.328 -32.968 1.0 53.1 ? 79 A 8 +ATOM 1221 C CG . ARG A 1 79 ? -31.417 13.783 -33.378 1.0 62.42 ? 79 A 8 +ATOM 1222 C CD . ARG A 1 79 ? -32.87 14.119 -33.676 1.0 15.2 ? 79 A 8 +ATOM 1223 N NE . ARG A 1 79 ? -33.02 15.466 -34.219 1.0 22.21 ? 79 A 8 +ATOM 1224 C CZ . ARG A 1 79 ? -34.084 15.868 -34.904 1.0 43.33 ? 79 A 8 +ATOM 1225 N NH1 . ARG A 1 79 ? -35.087 15.03 -35.128 1.0 51.34 ? 79 A 8 +ATOM 1226 N NH2 . ARG A 1 79 ? -34.147 17.11 -35.366 1.0 24.34 ? 79 A 8 +ATOM 1227 H H . ARG A 1 79 ? -29.849 12.121 -30.081 1.0 30.43 ? 79 A 8 +ATOM 1228 H HA . ARG A 1 79 ? -31.731 13.017 -30.999 1.0 75.12 ? 79 A 8 +ATOM 1229 H HB2 . ARG A 1 79 ? -30.262 12.007 -33.249 1.0 72.51 ? 79 A 8 +ATOM 1230 H HB3 . ARG A 1 79 ? -31.981 11.741 -33.51 1.0 62.3 ? 79 A 8 +ATOM 1231 H HG2 . ARG A 1 79 ? -31.071 14.414 -32.574 1.0 34.21 ? 79 A 8 +ATOM 1232 H HG3 . ARG A 1 79 ? -30.825 13.966 -34.263 1.0 51.44 ? 79 A 8 +ATOM 1233 H HD2 . ARG A 1 79 ? -33.25 13.407 -34.393 1.0 21.42 ? 79 A 8 +ATOM 1234 H HD3 . ARG A 1 79 ? -33.437 14.044 -32.76 1.0 24.22 ? 79 A 8 +ATOM 1235 H HE . ARG A 1 79 ? -32.29 16.101 -34.065 1.0 63.2 ? 79 A 8 +ATOM 1236 H HH11 . ARG A 1 79 ? -35.043 14.094 -34.78 1.0 0.03 ? 79 A 8 +ATOM 1237 H HH12 . ARG A 1 79 ? -35.889 15.336 -35.643 1.0 54.33 ? 79 A 8 +ATOM 1238 H HH21 . ARG A 1 79 ? -33.393 17.745 -35.199 1.0 72.3 ? 79 A 8 +ATOM 1239 H HH22 . ARG A 1 79 ? -34.949 17.412 -35.882 1.0 2.44 ? 79 A 8 +ATOM 1240 N N . GLY A 1 80 ? -32.5 9.968 -31.998 1.0 11.03 ? 80 A 8 +ATOM 1241 C CA . GLY A 1 80 ? -33.504 8.928 -31.866 1.0 3.12 ? 80 A 8 +ATOM 1242 C C . GLY A 1 80 ? -33.158 7.684 -32.66 1.0 52.34 ? 80 A 8 +ATOM 1243 O O . GLY A 1 80 ? -33.717 7.446 -33.73 1.0 43.44 ? 80 A 8 +ATOM 1244 H H . GLY A 1 80 ? -31.775 9.866 -32.649 1.0 0.24 ? 80 A 8 +ATOM 1245 H HA2 . GLY A 1 80 ? -33.597 8.663 -30.824 1.0 71.24 ? 80 A 8 +ATOM 1246 H HA3 . GLY A 1 80 ? -34.451 9.312 -32.216 1.0 43.14 ? 80 A 8 +ATOM 1247 N N . GLY A 1 81 ? -32.23 6.889 -32.136 1.0 43.34 ? 81 A 8 +ATOM 1248 C CA . GLY A 1 81 ? -31.824 5.673 -32.817 1.0 20.2 ? 81 A 8 +ATOM 1249 C C . GLY A 1 81 ? -30.48 5.814 -33.504 1.0 63.23 ? 81 A 8 +ATOM 1250 O O . GLY A 1 81 ? -29.743 6.767 -33.251 1.0 30.24 ? 81 A 8 +ATOM 1251 H H . GLY A 1 81 ? -31.818 7.129 -31.28 1.0 11.33 ? 81 A 8 +ATOM 1252 H HA2 . GLY A 1 81 ? -31.766 4.872 -32.096 1.0 30.51 ? 81 A 8 +ATOM 1253 H HA3 . GLY A 1 81 ? -32.569 5.424 -33.558 1.0 55.14 ? 81 A 8 +ATOM 1254 N N . VAL A 1 82 ? -30.159 4.863 -34.375 1.0 30.52 ? 82 A 8 +ATOM 1255 C CA . VAL A 1 82 ? -28.894 4.885 -35.099 1.0 4.45 ? 82 A 8 +ATOM 1256 C C . VAL A 1 82 ? -29.119 4.746 -36.601 1.0 63.52 ? 82 A 8 +ATOM 1257 O O . VAL A 1 82 ? -28.817 5.657 -37.371 1.0 12.52 ? 82 A 8 +ATOM 1258 C CB . VAL A 1 82 ? -27.956 3.759 -34.626 1.0 53.54 ? 82 A 8 +ATOM 1259 C CG1 . VAL A 1 82 ? -28.554 2.397 -34.943 1.0 33.31 ? 82 A 8 +ATOM 1260 C CG2 . VAL A 1 82 ? -26.582 3.909 -35.26 1.0 1.13 ? 82 A 8 +ATOM 1261 H H . VAL A 1 82 ? -30.789 4.129 -34.534 1.0 42.11 ? 82 A 8 +ATOM 1262 H HA . VAL A 1 82 ? -28.413 5.832 -34.903 1.0 65.12 ? 82 A 8 +ATOM 1263 H HB . VAL A 1 82 ? -27.845 3.837 -33.554 1.0 3.02 ? 82 A 8 +ATOM 1264 H HG11 . VAL A 1 82 ? -28.322 2.132 -35.965 1.0 71.54 ? 82 A 8 +ATOM 1265 H HG12 . VAL A 1 82 ? -28.139 1.656 -34.275 1.0 43.52 ? 82 A 8 +ATOM 1266 H HG13 . VAL A 1 82 ? -29.626 2.436 -34.817 1.0 60.31 ? 82 A 8 +ATOM 1267 H HG21 . VAL A 1 82 ? -26.663 4.499 -36.16 1.0 51.1 ? 82 A 8 +ATOM 1268 H HG22 . VAL A 1 82 ? -25.917 4.4 -34.565 1.0 43.42 ? 82 A 8 +ATOM 1269 H HG23 . VAL A 1 82 ? -26.189 2.932 -35.505 1.0 61.21 ? 82 A 8 +ATOM 1 N N . GLY A 1 1 ? 1.791 -0.636 -0.883 1.0 13.0 ? 1 A 9 +ATOM 2 C CA . GLY A 1 1 ? 0.525 0.057 -1.032 1.0 45.03 ? 1 A 9 +ATOM 3 C C . GLY A 1 1 ? 0.514 0.995 -2.223 1.0 65.21 ? 1 A 9 +ATOM 4 O O . GLY A 1 1 ? 0.457 2.216 -2.078 1.0 33.34 ? 1 A 9 +ATOM 5 H H1 . GLY A 1 1 ? 2.271 -0.598 -0.029 1.0 52.4 ? 1 A 9 +ATOM 6 H HA2 . GLY A 1 1 ? -0.26 -0.674 -1.155 1.0 14.15 ? 1 A 9 +ATOM 7 H HA3 . GLY A 1 1 ? 0.333 0.629 -0.136 1.0 34.23 ? 1 A 9 +ATOM 8 N N . PRO A 1 2 ? 0.571 0.42 -3.434 1.0 55.32 ? 2 A 9 +ATOM 9 C CA . PRO A 1 2 ? 0.57 1.195 -4.678 1.0 21.43 ? 2 A 9 +ATOM 10 C C . PRO A 1 2 ? -0.777 1.858 -4.947 1.0 41.45 ? 2 A 9 +ATOM 11 O O . PRO A 1 2 ? -1.824 1.343 -4.552 1.0 62.42 ? 2 A 9 +ATOM 12 C CB . PRO A 1 2 ? 0.873 0.145 -5.75 1.0 51.45 ? 2 A 9 +ATOM 13 C CG . PRO A 1 2 ? 0.406 -1.142 -5.163 1.0 43.11 ? 2 A 9 +ATOM 14 C CD . PRO A 1 2 ? 0.64 -1.03 -3.681 1.0 64.14 ? 2 A 9 +ATOM 15 H HA . PRO A 1 2 ? 1.345 1.947 -4.678 1.0 31.54 ? 2 A 9 +ATOM 16 H HB2 . PRO A 1 2 ? 0.334 0.386 -6.656 1.0 42.4 ? 2 A 9 +ATOM 17 H HB3 . PRO A 1 2 ? 1.934 0.126 -5.95 1.0 62.54 ? 2 A 9 +ATOM 18 H HG2 . PRO A 1 2 ? -0.645 -1.279 -5.367 1.0 3.22 ? 2 A 9 +ATOM 19 H HG3 . PRO A 1 2 ? 0.98 -1.961 -5.571 1.0 51.14 ? 2 A 9 +ATOM 20 H HD2 . PRO A 1 2 ? -0.133 -1.551 -3.137 1.0 11.0 ? 2 A 9 +ATOM 21 H HD3 . PRO A 1 2 ? 1.614 -1.418 -3.423 1.0 24.12 ? 2 A 9 +ATOM 22 N N . LEU A 1 3 ? -0.744 3.001 -5.622 1.0 34.12 ? 3 A 9 +ATOM 23 C CA . LEU A 1 3 ? -1.964 3.734 -5.945 1.0 54.03 ? 3 A 9 +ATOM 24 C C . LEU A 1 3 ? -1.856 4.392 -7.317 1.0 63.21 ? 3 A 9 +ATOM 25 O O . LEU A 1 3 ? -0.824 4.304 -7.98 1.0 11.24 ? 3 A 9 +ATOM 26 C CB . LEU A 1 3 ? -2.242 4.795 -4.879 1.0 60.12 ? 3 A 9 +ATOM 27 C CG . LEU A 1 3 ? -1.111 5.789 -4.61 1.0 64.13 ? 3 A 9 +ATOM 28 C CD1 . LEU A 1 3 ? -1.589 7.215 -4.834 1.0 62.25 ? 3 A 9 +ATOM 29 C CD2 . LEU A 1 3 ? -0.578 5.619 -3.195 1.0 0.12 ? 3 A 9 +ATOM 30 H H . LEU A 1 3 ? 0.119 3.362 -5.911 1.0 52.35 ? 3 A 9 +ATOM 31 H HA . LEU A 1 3 ? -2.78 3.028 -5.961 1.0 43.13 ? 3 A 9 +ATOM 32 H HB2 . LEU A 1 3 ? -3.109 5.358 -5.19 1.0 74.24 ? 3 A 9 +ATOM 33 H HB3 . LEU A 1 3 ? -2.461 4.283 -3.953 1.0 72.41 ? 3 A 9 +ATOM 34 H HG . LEU A 1 3 ? -0.3 5.597 -5.299 1.0 43.5 ? 3 A 9 +ATOM 35 H HD11 . LEU A 1 3 ? -0.746 7.888 -4.794 1.0 50.45 ? 3 A 9 +ATOM 36 H HD12 . LEU A 1 3 ? -2.299 7.482 -4.065 1.0 4.34 ? 3 A 9 +ATOM 37 H HD13 . LEU A 1 3 ? -2.064 7.288 -5.801 1.0 54.42 ? 3 A 9 +ATOM 38 H HD21 . LEU A 1 3 ? 0.022 6.478 -2.931 1.0 23.33 ? 3 A 9 +ATOM 39 H HD22 . LEU A 1 3 ? 0.028 4.727 -3.143 1.0 1.01 ? 3 A 9 +ATOM 40 H HD23 . LEU A 1 3 ? -1.406 5.532 -2.506 1.0 75.24 ? 3 A 9 +ATOM 41 N N . GLY A 1 4 ? -2.93 5.054 -7.736 1.0 4.21 ? 4 A 9 +ATOM 42 C CA . GLY A 1 4 ? -2.936 5.719 -9.026 1.0 43.34 ? 4 A 9 +ATOM 43 C C . GLY A 1 4 ? -4.322 5.792 -9.636 1.0 32.24 ? 4 A 9 +ATOM 44 O O . GLY A 1 4 ? -4.716 6.825 -10.176 1.0 73.31 ? 4 A 9 +ATOM 45 H H . GLY A 1 4 ? -3.726 5.091 -7.165 1.0 2.13 ? 4 A 9 +ATOM 46 H HA2 . GLY A 1 4 ? -2.555 6.722 -8.904 1.0 53.5 ? 4 A 9 +ATOM 47 H HA3 . GLY A 1 4 ? -2.287 5.178 -9.7 1.0 61.41 ? 4 A 9 +ATOM 48 N N . SER A 1 5 ? -5.062 4.691 -9.552 1.0 14.33 ? 5 A 9 +ATOM 49 C CA . SER A 1 5 ? -6.41 4.632 -10.104 1.0 12.42 ? 5 A 9 +ATOM 50 C C . SER A 1 5 ? -7.245 5.816 -9.627 1.0 43.22 ? 5 A 9 +ATOM 51 O O . SER A 1 5 ? -6.952 6.42 -8.595 1.0 33.52 ? 5 A 9 +ATOM 52 C CB . SER A 1 5 ? -7.09 3.32 -9.707 1.0 72.02 ? 5 A 9 +ATOM 53 O OG . SER A 1 5 ? -6.341 2.202 -10.151 1.0 21.35 ? 5 A 9 +ATOM 54 H H . SER A 1 5 ? -4.691 3.898 -9.109 1.0 31.12 ? 5 A 9 +ATOM 55 H HA . SER A 1 5 ? -6.329 4.674 -11.18 1.0 12.32 ? 5 A 9 +ATOM 56 H HB2 . SER A 1 5 ? -7.178 3.275 -8.632 1.0 41.01 ? 5 A 9 +ATOM 57 H HB3 . SER A 1 5 ? -8.074 3.279 -10.151 1.0 74.13 ? 5 A 9 +ATOM 58 H HG . SER A 1 5 ? -6.341 1.526 -9.47 1.0 33.45 ? 5 A 9 +ATOM 59 N N . MET A 1 6 ? -8.286 6.142 -10.386 1.0 14.01 ? 6 A 9 +ATOM 60 C CA . MET A 1 6 ? -9.165 7.253 -10.04 1.0 54.33 ? 6 A 9 +ATOM 61 C C . MET A 1 6 ? -10.487 7.156 -10.796 1.0 31.44 ? 6 A 9 +ATOM 62 O O . MET A 1 6 ? -10.782 6.136 -11.418 1.0 1.11 ? 6 A 9 +ATOM 63 C CB . MET A 1 6 ? -8.483 8.587 -10.352 1.0 70.21 ? 6 A 9 +ATOM 64 C CG . MET A 1 6 ? -8.089 8.741 -11.812 1.0 25.05 ? 6 A 9 +ATOM 65 S SD . MET A 1 6 ? -6.463 9.493 -12.016 1.0 3.44 ? 6 A 9 +ATOM 66 C CE . MET A 1 6 ? -5.55 8.133 -12.741 1.0 13.21 ? 6 A 9 +ATOM 67 H H . MET A 1 6 ? -8.469 5.623 -11.197 1.0 2.32 ? 6 A 9 +ATOM 68 H HA . MET A 1 6 ? -9.365 7.2 -8.981 1.0 5.22 ? 6 A 9 +ATOM 69 H HB2 . MET A 1 6 ? -9.157 9.39 -10.096 1.0 62.43 ? 6 A 9 +ATOM 70 H HB3 . MET A 1 6 ? -7.591 8.671 -9.75 1.0 63.34 ? 6 A 9 +ATOM 71 H HG2 . MET A 1 6 ? -8.079 7.765 -12.274 1.0 33.13 ? 6 A 9 +ATOM 72 H HG3 . MET A 1 6 ? -8.822 9.363 -12.304 1.0 12.41 ? 6 A 9 +ATOM 73 H HE1 . MET A 1 6 ? -4.648 7.961 -12.173 1.0 12.23 ? 6 A 9 +ATOM 74 H HE2 . MET A 1 6 ? -6.16 7.241 -12.726 1.0 52.54 ? 6 A 9 +ATOM 75 H HE3 . MET A 1 6 ? -5.293 8.376 -13.761 1.0 2.41 ? 6 A 9 +ATOM 76 N N . GLN A 1 7 ? -11.278 8.222 -10.735 1.0 13.12 ? 7 A 9 +ATOM 77 C CA . GLN A 1 7 ? -12.568 8.255 -11.413 1.0 13.2 ? 7 A 9 +ATOM 78 C C . GLN A 1 7 ? -12.823 9.625 -12.032 1.0 42.42 ? 7 A 9 +ATOM 79 O O . GLN A 1 7 ? -12.23 10.623 -11.62 1.0 71.33 ? 7 A 9 +ATOM 80 C CB . GLN A 1 7 ? -13.691 7.907 -10.434 1.0 42.01 ? 7 A 9 +ATOM 81 C CG . GLN A 1 7 ? -13.365 6.732 -9.527 1.0 12.34 ? 7 A 9 +ATOM 82 C CD . GLN A 1 7 ? -12.835 7.168 -8.175 1.0 44.31 ? 7 A 9 +ATOM 83 O OE1 . GLN A 1 7 ? -12.662 8.359 -7.918 1.0 33.44 ? 7 A 9 +ATOM 84 N NE2 . GLN A 1 7 ? -12.573 6.202 -7.302 1.0 73.32 ? 7 A 9 +ATOM 85 H H . GLN A 1 7 ? -10.987 9.005 -10.223 1.0 71.21 ? 7 A 9 +ATOM 86 H HA . GLN A 1 7 ? -12.548 7.517 -12.2 1.0 62.03 ? 7 A 9 +ATOM 87 H HB2 . GLN A 1 7 ? -13.892 8.768 -9.814 1.0 13.25 ? 7 A 9 +ATOM 88 H HB3 . GLN A 1 7 ? -14.58 7.664 -10.997 1.0 41.42 ? 7 A 9 +ATOM 89 H HG2 . GLN A 1 7 ? -14.263 6.152 -9.374 1.0 43.33 ? 7 A 9 +ATOM 90 H HG3 . GLN A 1 7 ? -12.619 6.118 -10.01 1.0 33.21 ? 7 A 9 +ATOM 91 H HE21 . GLN A 1 7 ? -12.734 5.274 -7.577 1.0 52.01 ? 7 A 9 +ATOM 92 H HE22 . GLN A 1 7 ? -12.229 6.455 -6.422 1.0 55.43 ? 7 A 9 +ATOM 93 N N . ILE A 1 8 ? -13.708 9.666 -13.022 1.0 12.12 ? 8 A 9 +ATOM 94 C CA . ILE A 1 8 ? -14.042 10.915 -13.697 1.0 64.2 ? 8 A 9 +ATOM 95 C C . ILE A 1 8 ? -15.552 11.119 -13.761 1.0 0.33 ? 8 A 9 +ATOM 96 O O . ILE A 1 8 ? -16.324 10.177 -13.581 1.0 11.35 ? 8 A 9 +ATOM 97 C CB . ILE A 1 8 ? -13.469 10.953 -15.126 1.0 65.34 ? 8 A 9 +ATOM 98 C CG1 . ILE A 1 8 ? -12.683 9.673 -15.418 1.0 72.33 ? 8 A 9 +ATOM 99 C CG2 . ILE A 1 8 ? -12.585 12.177 -15.31 1.0 55.24 ? 8 A 9 +ATOM 100 C CD1 . ILE A 1 8 ? -12.249 9.546 -16.862 1.0 11.02 ? 8 A 9 +ATOM 101 H H . ILE A 1 8 ? -14.148 8.838 -13.305 1.0 43.45 ? 8 A 9 +ATOM 102 H HA . ILE A 1 8 ? -13.603 11.725 -13.133 1.0 41.41 ? 8 A 9 +ATOM 103 H HB . ILE A 1 8 ? -14.293 11.027 -15.819 1.0 13.24 ? 8 A 9 +ATOM 104 H HG12 . ILE A 1 8 ? -11.798 9.653 -14.803 1.0 4.11 ? 8 A 9 +ATOM 105 H HG13 . ILE A 1 8 ? -13.301 8.818 -15.181 1.0 33.41 ? 8 A 9 +ATOM 106 H HG21 . ILE A 1 8 ? -13.202 13.04 -15.51 1.0 12.11 ? 8 A 9 +ATOM 107 H HG22 . ILE A 1 8 ? -12.013 12.346 -14.41 1.0 14.43 ? 8 A 9 +ATOM 108 H HG23 . ILE A 1 8 ? -11.912 12.015 -16.139 1.0 53.13 ? 8 A 9 +ATOM 109 H HD11 . ILE A 1 8 ? -11.186 9.355 -16.902 1.0 4.51 ? 8 A 9 +ATOM 110 H HD12 . ILE A 1 8 ? -12.779 8.728 -17.327 1.0 22.53 ? 8 A 9 +ATOM 111 H HD13 . ILE A 1 8 ? -12.469 10.464 -17.386 1.0 32.23 ? 8 A 9 +ATOM 112 N N . PHE A 1 9 ? -15.966 12.354 -14.021 1.0 44.42 ? 9 A 9 +ATOM 113 C CA . PHE A 1 9 ? -17.384 12.683 -14.11 1.0 45.42 ? 9 A 9 +ATOM 114 C C . PHE A 1 9 ? -17.747 13.145 -15.517 1.0 62.05 ? 9 A 9 +ATOM 115 O O . PHE A 1 9 ? -17.135 14.066 -16.058 1.0 33.13 ? 9 A 9 +ATOM 116 C CB . PHE A 1 9 ? -17.742 13.77 -13.095 1.0 42.3 ? 9 A 9 +ATOM 117 C CG . PHE A 1 9 ? -18.493 13.253 -11.901 1.0 44.44 ? 9 A 9 +ATOM 118 C CD1 . PHE A 1 9 ? -19.757 12.705 -12.046 1.0 24.21 ? 9 A 9 +ATOM 119 C CD2 . PHE A 1 9 ? -17.934 13.313 -10.635 1.0 24.11 ? 9 A 9 +ATOM 120 C CE1 . PHE A 1 9 ? -20.451 12.229 -10.949 1.0 54.33 ? 9 A 9 +ATOM 121 C CE2 . PHE A 1 9 ? -18.622 12.838 -9.534 1.0 62.43 ? 9 A 9 +ATOM 122 C CZ . PHE A 1 9 ? -19.882 12.294 -9.692 1.0 72.21 ? 9 A 9 +ATOM 123 H H . PHE A 1 9 ? -15.301 13.063 -14.155 1.0 15.35 ? 9 A 9 +ATOM 124 H HA . PHE A 1 9 ? -17.945 11.79 -13.881 1.0 72.15 ? 9 A 9 +ATOM 125 H HB2 . PHE A 1 9 ? -16.834 14.234 -12.739 1.0 13.22 ? 9 A 9 +ATOM 126 H HB3 . PHE A 1 9 ? -18.356 14.515 -13.578 1.0 20.44 ? 9 A 9 +ATOM 127 H HD1 . PHE A 1 9 ? -20.203 12.652 -13.029 1.0 63.23 ? 9 A 9 +ATOM 128 H HD2 . PHE A 1 9 ? -16.948 13.738 -10.51 1.0 43.5 ? 9 A 9 +ATOM 129 H HE1 . PHE A 1 9 ? -21.435 11.804 -11.075 1.0 53.21 ? 9 A 9 +ATOM 130 H HE2 . PHE A 1 9 ? -18.175 12.891 -8.553 1.0 61.25 ? 9 A 9 +ATOM 131 H HZ . PHE A 1 9 ? -20.422 11.923 -8.834 1.0 11.33 ? 9 A 9 +ATOM 132 N N . VAL A 1 10 ? -18.749 12.499 -16.106 1.0 35.51 ? 10 A 9 +ATOM 133 C CA . VAL A 1 10 ? -19.196 12.843 -17.45 1.0 51.35 ? 10 A 9 +ATOM 134 C C . VAL A 1 10 ? -20.636 13.343 -17.44 1.0 20.3 ? 10 A 9 +ATOM 135 O O . VAL A 1 10 ? -21.52 12.713 -16.858 1.0 33.54 ? 10 A 9 +ATOM 136 C CB . VAL A 1 10 ? -19.089 11.638 -18.403 1.0 1.24 ? 10 A 9 +ATOM 137 C CG1 . VAL A 1 10 ? -19.041 12.103 -19.85 1.0 43.55 ? 10 A 9 +ATOM 138 C CG2 . VAL A 1 10 ? -17.868 10.797 -18.063 1.0 70.41 ? 10 A 9 +ATOM 139 H H . VAL A 1 10 ? -19.199 11.774 -15.624 1.0 13.11 ? 10 A 9 +ATOM 140 H HA . VAL A 1 10 ? -18.555 13.629 -17.824 1.0 52.2 ? 10 A 9 +ATOM 141 H HB . VAL A 1 10 ? -19.969 11.025 -18.275 1.0 21.21 ? 10 A 9 +ATOM 142 H HG11 . VAL A 1 10 ? -18.478 13.023 -19.913 1.0 75.22 ? 10 A 9 +ATOM 143 H HG12 . VAL A 1 10 ? -18.565 11.346 -20.457 1.0 54.41 ? 10 A 9 +ATOM 144 H HG13 . VAL A 1 10 ? -20.046 12.272 -20.208 1.0 61.31 ? 10 A 9 +ATOM 145 H HG21 . VAL A 1 10 ? -17.026 11.445 -17.872 1.0 13.24 ? 10 A 9 +ATOM 146 H HG22 . VAL A 1 10 ? -18.074 10.203 -17.185 1.0 62.44 ? 10 A 9 +ATOM 147 H HG23 . VAL A 1 10 ? -17.638 10.144 -18.893 1.0 2.35 ? 10 A 9 +ATOM 148 N N . LYS A 1 11 ? -20.867 14.48 -18.087 1.0 23.3 ? 11 A 9 +ATOM 149 C CA . LYS A 1 11 ? -22.2 15.066 -18.155 1.0 10.31 ? 11 A 9 +ATOM 150 C C . LYS A 1 11 ? -22.787 14.921 -19.555 1.0 22.12 ? 11 A 9 +ATOM 151 O O . LYS A 1 11 ? -22.294 15.52 -20.512 1.0 63.21 ? 11 A 9 +ATOM 152 C CB . LYS A 1 11 ? -22.151 16.544 -17.761 1.0 34.41 ? 11 A 9 +ATOM 153 C CG . LYS A 1 11 ? -23.425 17.304 -18.09 1.0 63.11 ? 11 A 9 +ATOM 154 C CD . LYS A 1 11 ? -23.327 18.762 -17.675 1.0 3.15 ? 11 A 9 +ATOM 155 C CE . LYS A 1 11 ? -22.891 19.643 -18.836 1.0 2.52 ? 11 A 9 +ATOM 156 N NZ . LYS A 1 11 ? -22.898 21.087 -18.469 1.0 51.12 ? 11 A 9 +ATOM 157 H H . LYS A 1 11 ? -20.121 14.937 -18.531 1.0 4.15 ? 11 A 9 +ATOM 158 H HA . LYS A 1 11 ? -22.831 14.537 -17.456 1.0 44.21 ? 11 A 9 +ATOM 159 H HB2 . LYS A 1 11 ? -21.979 16.615 -16.697 1.0 75.01 ? 11 A 9 +ATOM 160 H HB3 . LYS A 1 11 ? -21.331 17.016 -18.282 1.0 15.43 ? 11 A 9 +ATOM 161 H HG2 . LYS A 1 11 ? -23.598 17.254 -19.154 1.0 73.24 ? 11 A 9 +ATOM 162 H HG3 . LYS A 1 11 ? -24.252 16.845 -17.567 1.0 30.03 ? 11 A 9 +ATOM 163 H HD2 . LYS A 1 11 ? -24.294 19.095 -17.329 1.0 63.51 ? 11 A 9 +ATOM 164 H HD3 . LYS A 1 11 ? -22.606 18.852 -16.875 1.0 61.22 ? 11 A 9 +ATOM 165 H HE2 . LYS A 1 11 ? -21.892 19.36 -19.13 1.0 70.24 ? 11 A 9 +ATOM 166 H HE3 . LYS A 1 11 ? -23.567 19.487 -19.663 1.0 3.13 ? 11 A 9 +ATOM 167 H HZ1 . LYS A 1 11 ? -22.82 21.194 -17.438 1.0 1.34 ? 11 A 9 +ATOM 168 H HZ2 . LYS A 1 11 ? -23.783 21.531 -18.788 1.0 61.44 ? 11 A 9 +ATOM 169 H HZ3 . LYS A 1 11 ? -22.097 21.574 -18.92 1.0 12.11 ? 11 A 9 +ATOM 170 N N . THR A 1 12 ? -23.845 14.124 -19.669 1.0 60.33 ? 12 A 9 +ATOM 171 C CA . THR A 1 12 ? -24.5 13.901 -20.952 1.0 63.11 ? 12 A 9 +ATOM 172 C C . THR A 1 12 ? -25.306 15.123 -21.377 1.0 63.2 ? 12 A 9 +ATOM 173 O O . THR A 1 12 ? -25.643 15.975 -20.554 1.0 23.14 ? 12 A 9 +ATOM 174 C CB . THR A 1 12 ? -25.433 12.677 -20.901 1.0 13.53 ? 12 A 9 +ATOM 175 O OG1 . THR A 1 12 ? -26.579 12.967 -20.094 1.0 44.22 ? 12 A 9 +ATOM 176 C CG2 . THR A 1 12 ? -24.705 11.464 -20.34 1.0 44.25 ? 12 A 9 +ATOM 177 H H . THR A 1 12 ? -24.192 13.674 -18.87 1.0 50.31 ? 12 A 9 +ATOM 178 H HA . THR A 1 12 ? -23.733 13.713 -21.689 1.0 15.31 ? 12 A 9 +ATOM 179 H HB . THR A 1 12 ? -25.758 12.449 -21.907 1.0 3.11 ? 12 A 9 +ATOM 180 H HG1 . THR A 1 12 ? -27.314 12.416 -20.371 1.0 54.01 ? 12 A 9 +ATOM 181 H HG21 . THR A 1 12 ? -24.326 11.696 -19.357 1.0 54.24 ? 12 A 9 +ATOM 182 H HG22 . THR A 1 12 ? -23.883 11.205 -20.991 1.0 51.32 ? 12 A 9 +ATOM 183 H HG23 . THR A 1 12 ? -25.39 10.632 -20.275 1.0 74.05 ? 12 A 9 +ATOM 184 N N . LEU A 1 13 ? -25.613 15.203 -22.667 1.0 74.21 ? 13 A 9 +ATOM 185 C CA . LEU A 1 13 ? -26.381 16.322 -23.203 1.0 74.52 ? 13 A 9 +ATOM 186 C C . LEU A 1 13 ? -27.742 16.423 -22.522 1.0 25.21 ? 13 A 9 +ATOM 187 O O . LEU A 1 13 ? -28.393 17.468 -22.561 1.0 11.35 ? 13 A 9 +ATOM 188 C CB . LEU A 1 13 ? -26.564 16.165 -24.713 1.0 31.51 ? 13 A 9 +ATOM 189 C CG . LEU A 1 13 ? -27.106 17.387 -25.455 1.0 30.32 ? 13 A 9 +ATOM 190 C CD1 . LEU A 1 13 ? -25.996 18.397 -25.702 1.0 44.31 ? 13 A 9 +ATOM 191 C CD2 . LEU A 1 13 ? -27.753 16.97 -26.768 1.0 64.01 ? 13 A 9 +ATOM 192 H H . LEU A 1 13 ? -25.316 14.495 -23.275 1.0 42.02 ? 13 A 9 +ATOM 193 H HA . LEU A 1 13 ? -25.827 17.228 -23.008 1.0 34.1 ? 13 A 9 +ATOM 194 H HB2 . LEU A 1 13 ? -25.603 15.919 -25.138 1.0 62.11 ? 13 A 9 +ATOM 195 H HB3 . LEU A 1 13 ? -27.248 15.345 -24.879 1.0 43.21 ? 13 A 9 +ATOM 196 H HG . LEU A 1 13 ? -27.861 17.864 -24.845 1.0 45.4 ? 13 A 9 +ATOM 197 H HD11 . LEU A 1 13 ? -25.894 18.567 -26.763 1.0 62.23 ? 13 A 9 +ATOM 198 H HD12 . LEU A 1 13 ? -25.066 18.014 -25.308 1.0 23.44 ? 13 A 9 +ATOM 199 H HD13 . LEU A 1 13 ? -26.239 19.327 -25.209 1.0 25.55 ? 13 A 9 +ATOM 200 H HD21 . LEU A 1 13 ? -28.784 16.703 -26.592 1.0 62.14 ? 13 A 9 +ATOM 201 H HD22 . LEU A 1 13 ? -27.224 16.121 -27.175 1.0 41.34 ? 13 A 9 +ATOM 202 H HD23 . LEU A 1 13 ? -27.708 17.792 -27.468 1.0 51.42 ? 13 A 9 +ATOM 203 N N . THR A 1 14 ? -28.168 15.33 -21.896 1.0 31.41 ? 14 A 9 +ATOM 204 C CA . THR A 1 14 ? -29.451 15.295 -21.206 1.0 30.33 ? 14 A 9 +ATOM 205 C C . THR A 1 14 ? -29.312 15.768 -19.763 1.0 22.13 ? 14 A 9 +ATOM 206 O O . THR A 1 14 ? -30.262 15.702 -18.984 1.0 5.31 ? 14 A 9 +ATOM 207 C CB . THR A 1 14 ? -30.055 13.878 -21.214 1.0 34.54 ? 14 A 9 +ATOM 208 O OG1 . THR A 1 14 ? -29.013 12.901 -21.111 1.0 3.22 ? 14 A 9 +ATOM 209 C CG2 . THR A 1 14 ? -30.857 13.639 -22.484 1.0 34.11 ? 14 A 9 +ATOM 210 H H . THR A 1 14 ? -27.604 14.528 -21.901 1.0 2.31 ? 14 A 9 +ATOM 211 H HA . THR A 1 14 ? -30.128 15.955 -21.728 1.0 25.44 ? 14 A 9 +ATOM 212 H HB . THR A 1 14 ? -30.715 13.78 -20.364 1.0 55.24 ? 14 A 9 +ATOM 213 H HG1 . THR A 1 14 ? -28.678 12.696 -21.987 1.0 24.42 ? 14 A 9 +ATOM 214 H HG21 . THR A 1 14 ? -31.545 12.822 -22.326 1.0 1.02 ? 14 A 9 +ATOM 215 H HG22 . THR A 1 14 ? -30.186 13.392 -23.293 1.0 12.23 ? 14 A 9 +ATOM 216 H HG23 . THR A 1 14 ? -31.41 14.532 -22.733 1.0 12.42 ? 14 A 9 +ATOM 217 N N . GLY A 1 15 ? -28.121 16.245 -19.414 1.0 61.2 ? 15 A 9 +ATOM 218 C CA . GLY A 1 15 ? -27.881 16.723 -18.065 1.0 25.44 ? 15 A 9 +ATOM 219 C C . GLY A 1 15 ? -27.848 15.598 -17.049 1.0 2.34 ? 15 A 9 +ATOM 220 O O . GLY A 1 15 ? -28.591 15.616 -16.067 1.0 24.03 ? 15 A 9 +ATOM 221 H H . GLY A 1 15 ? -27.4 16.273 -20.077 1.0 73.22 ? 15 A 9 +ATOM 222 H HA2 . GLY A 1 15 ? -26.934 17.242 -18.042 1.0 10.15 ? 15 A 9 +ATOM 223 H HA3 . GLY A 1 15 ? -28.666 17.413 -17.794 1.0 23.53 ? 15 A 9 +ATOM 224 N N . LYS A 1 16 ? -26.985 14.616 -17.284 1.0 11.21 ? 16 A 9 +ATOM 225 C CA . LYS A 1 16 ? -26.858 13.477 -16.383 1.0 34.13 ? 16 A 9 +ATOM 226 C C . LYS A 1 16 ? -25.413 13.304 -15.925 1.0 15.24 ? 16 A 9 +ATOM 227 O O . LYS A 1 16 ? -24.503 13.169 -16.743 1.0 50.04 ? 16 A 9 +ATOM 228 C CB . LYS A 1 16 ? -27.342 12.198 -17.071 1.0 31.42 ? 16 A 9 +ATOM 229 C CG . LYS A 1 16 ? -27.943 11.183 -16.115 1.0 73.35 ? 16 A 9 +ATOM 230 C CD . LYS A 1 16 ? -26.898 10.195 -15.622 1.0 50.3 ? 16 A 9 +ATOM 231 C CE . LYS A 1 16 ? -26.419 9.285 -16.742 1.0 52.44 ? 16 A 9 +ATOM 232 N NZ . LYS A 1 16 ? -26.906 7.888 -16.568 1.0 2.53 ? 16 A 9 +ATOM 233 H H . LYS A 1 16 ? -26.419 14.658 -18.084 1.0 52.54 ? 16 A 9 +ATOM 234 H HA . LYS A 1 16 ? -27.476 13.666 -15.519 1.0 34.34 ? 16 A 9 +ATOM 235 H HB2 . LYS A 1 16 ? -28.091 12.46 -17.803 1.0 44.24 ? 16 A 9 +ATOM 236 H HB3 . LYS A 1 16 ? -26.505 11.736 -17.575 1.0 12.13 ? 16 A 9 +ATOM 237 H HG2 . LYS A 1 16 ? -28.359 11.704 -15.265 1.0 3.41 ? 16 A 9 +ATOM 238 H HG3 . LYS A 1 16 ? -28.725 10.64 -16.626 1.0 74.14 ? 16 A 9 +ATOM 239 H HD2 . LYS A 1 16 ? -26.053 10.743 -15.232 1.0 63.23 ? 16 A 9 +ATOM 240 H HD3 . LYS A 1 16 ? -27.33 9.59 -14.837 1.0 14.51 ? 16 A 9 +ATOM 241 H HE2 . LYS A 1 16 ? -26.784 9.669 -17.682 1.0 44.12 ? 16 A 9 +ATOM 242 H HE3 . LYS A 1 16 ? -25.339 9.283 -16.749 1.0 75.31 ? 16 A 9 +ATOM 243 H HZ1 . LYS A 1 16 ? -27.943 7.86 -16.634 1.0 61.55 ? 16 A 9 +ATOM 244 H HZ2 . LYS A 1 16 ? -26.618 7.523 -15.638 1.0 23.15 ? 16 A 9 +ATOM 245 H HZ3 . LYS A 1 16 ? -26.505 7.276 -17.307 1.0 43.23 ? 16 A 9 +ATOM 246 N N . THR A 1 17 ? -25.208 13.308 -14.611 1.0 33.03 ? 17 A 9 +ATOM 247 C CA . THR A 1 17 ? -23.875 13.152 -14.045 1.0 61.21 ? 17 A 9 +ATOM 248 C C . THR A 1 17 ? -23.551 11.683 -13.798 1.0 13.11 ? 17 A 9 +ATOM 249 O O . THR A 1 17 ? -24.229 11.01 -13.021 1.0 32.24 ? 17 A 9 +ATOM 250 C CB . THR A 1 17 ? -23.732 13.927 -12.721 1.0 22.54 ? 17 A 9 +ATOM 251 O OG1 . THR A 1 17 ? -24.999 13.997 -12.056 1.0 24.32 ? 17 A 9 +ATOM 252 C CG2 . THR A 1 17 ? -23.205 15.332 -12.97 1.0 72.42 ? 17 A 9 +ATOM 253 H H . THR A 1 17 ? -25.974 13.42 -14.01 1.0 63.53 ? 17 A 9 +ATOM 254 H HA . THR A 1 17 ? -23.163 13.554 -14.751 1.0 15.15 ? 17 A 9 +ATOM 255 H HB . THR A 1 17 ? -23.031 13.402 -12.088 1.0 61.22 ? 17 A 9 +ATOM 256 H HG1 . THR A 1 17 ? -25.26 13.119 -11.77 1.0 54.0 ? 17 A 9 +ATOM 257 H HG21 . THR A 1 17 ? -23.993 16.048 -12.792 1.0 31.34 ? 17 A 9 +ATOM 258 H HG22 . THR A 1 17 ? -22.869 15.414 -13.993 1.0 12.24 ? 17 A 9 +ATOM 259 H HG23 . THR A 1 17 ? -22.381 15.53 -12.302 1.0 74.01 ? 17 A 9 +ATOM 260 N N . ILE A 1 18 ? -22.511 11.192 -14.463 1.0 21.15 ? 18 A 9 +ATOM 261 C CA . ILE A 1 18 ? -22.097 9.802 -14.314 1.0 42.23 ? 18 A 9 +ATOM 262 C C . ILE A 1 18 ? -20.642 9.707 -13.866 1.0 2.02 ? 18 A 9 +ATOM 263 O O . ILE A 1 18 ? -19.798 10.499 -14.286 1.0 34.24 ? 18 A 9 +ATOM 264 C CB . ILE A 1 18 ? -22.269 9.019 -15.629 1.0 20.13 ? 18 A 9 +ATOM 265 C CG1 . ILE A 1 18 ? -21.58 7.656 -15.53 1.0 0.43 ? 18 A 9 +ATOM 266 C CG2 . ILE A 1 18 ? -21.711 9.817 -16.798 1.0 34.34 ? 18 A 9 +ATOM 267 C CD1 . ILE A 1 18 ? -21.881 6.741 -16.697 1.0 41.12 ? 18 A 9 +ATOM 268 H H . ILE A 1 18 ? -22.01 11.777 -15.068 1.0 72.35 ? 18 A 9 +ATOM 269 H HA . ILE A 1 18 ? -22.724 9.346 -13.562 1.0 33.1 ? 18 A 9 +ATOM 270 H HB . ILE A 1 18 ? -23.324 8.87 -15.797 1.0 55.23 ? 18 A 9 +ATOM 271 H HG12 . ILE A 1 18 ? -20.512 7.801 -15.49 1.0 35.45 ? 18 A 9 +ATOM 272 H HG13 . ILE A 1 18 ? -21.906 7.161 -14.627 1.0 15.51 ? 18 A 9 +ATOM 273 H HG21 . ILE A 1 18 ? -20.76 10.247 -16.519 1.0 31.24 ? 18 A 9 +ATOM 274 H HG22 . ILE A 1 18 ? -21.575 9.164 -17.646 1.0 60.32 ? 18 A 9 +ATOM 275 H HG23 . ILE A 1 18 ? -22.4 10.606 -17.057 1.0 71.44 ? 18 A 9 +ATOM 276 H HD11 . ILE A 1 18 ? -22.314 7.317 -17.503 1.0 32.31 ? 18 A 9 +ATOM 277 H HD12 . ILE A 1 18 ? -20.966 6.279 -17.037 1.0 60.24 ? 18 A 9 +ATOM 278 H HD13 . ILE A 1 18 ? -22.577 5.978 -16.386 1.0 25.35 ? 18 A 9 +ATOM 279 N N . THR A 1 19 ? -20.355 8.731 -13.009 1.0 42.32 ? 19 A 9 +ATOM 280 C CA . THR A 1 19 ? -19.003 8.532 -12.504 1.0 41.24 ? 19 A 9 +ATOM 281 C C . THR A 1 19 ? -18.421 7.211 -12.997 1.0 70.21 ? 19 A 9 +ATOM 282 O O . THR A 1 19 ? -19.111 6.192 -13.029 1.0 44.42 ? 19 A 9 +ATOM 283 C CB . THR A 1 19 ? -18.97 8.551 -10.964 1.0 2.4 ? 19 A 9 +ATOM 284 O OG1 . THR A 1 19 ? -20.155 9.174 -10.457 1.0 22.32 ? 19 A 9 +ATOM 285 C CG2 . THR A 1 19 ? -17.744 9.296 -10.459 1.0 13.14 ? 19 A 9 +ATOM 286 H H . THR A 1 19 ? -21.071 8.133 -12.711 1.0 1.15 ? 19 A 9 +ATOM 287 H HA . THR A 1 19 ? -18.388 9.343 -12.867 1.0 65.43 ? 19 A 9 +ATOM 288 H HB . THR A 1 19 ? -18.926 7.532 -10.607 1.0 44.24 ? 19 A 9 +ATOM 289 H HG1 . THR A 1 19 ? -20.63 8.552 -9.899 1.0 60.25 ? 19 A 9 +ATOM 290 H HG21 . THR A 1 19 ? -18.054 10.104 -9.813 1.0 73.33 ? 19 A 9 +ATOM 291 H HG22 . THR A 1 19 ? -17.195 9.697 -11.298 1.0 23.45 ? 19 A 9 +ATOM 292 H HG23 . THR A 1 19 ? -17.112 8.616 -9.906 1.0 51.03 ? 19 A 9 +ATOM 293 N N . ILE A 1 20 ? -17.149 7.237 -13.379 1.0 2.13 ? 20 A 9 +ATOM 294 C CA . ILE A 1 20 ? -16.475 6.041 -13.868 1.0 23.24 ? 20 A 9 +ATOM 295 C C . ILE A 1 20 ? -15.025 5.995 -13.396 1.0 21.51 ? 20 A 9 +ATOM 296 O O . ILE A 1 20 ? -14.295 6.98 -13.504 1.0 3.54 ? 20 A 9 +ATOM 297 C CB . ILE A 1 20 ? -16.505 5.967 -15.406 1.0 55.55 ? 20 A 9 +ATOM 298 C CG1 . ILE A 1 20 ? -16.397 7.369 -16.008 1.0 1.5 ? 20 A 9 +ATOM 299 C CG2 . ILE A 1 20 ? -17.776 5.277 -15.878 1.0 1.32 ? 20 A 9 +ATOM 300 C CD1 . ILE A 1 20 ? -15.649 7.407 -17.322 1.0 2.4 ? 20 A 9 +ATOM 301 H H . ILE A 1 20 ? -16.651 8.079 -13.33 1.0 32.52 ? 20 A 9 +ATOM 302 H HA . ILE A 1 20 ? -16.997 5.18 -13.476 1.0 40.32 ? 20 A 9 +ATOM 303 H HB . ILE A 1 20 ? -15.662 5.377 -15.732 1.0 75.22 ? 20 A 9 +ATOM 304 H HG12 . ILE A 1 20 ? -17.389 7.757 -16.181 1.0 4.24 ? 20 A 9 +ATOM 305 H HG13 . ILE A 1 20 ? -15.88 8.013 -15.311 1.0 20.02 ? 20 A 9 +ATOM 306 H HG21 . ILE A 1 20 ? -18.088 4.553 -15.141 1.0 41.11 ? 20 A 9 +ATOM 307 H HG22 . ILE A 1 20 ? -18.555 6.012 -16.012 1.0 51.34 ? 20 A 9 +ATOM 308 H HG23 . ILE A 1 20 ? -17.588 4.778 -16.817 1.0 74.34 ? 20 A 9 +ATOM 309 H HD11 . ILE A 1 20 ? -16.002 8.24 -17.913 1.0 44.23 ? 20 A 9 +ATOM 310 H HD12 . ILE A 1 20 ? -14.592 7.525 -17.131 1.0 43.31 ? 20 A 9 +ATOM 311 H HD13 . ILE A 1 20 ? -15.818 6.487 -17.86 1.0 23.14 ? 20 A 9 +ATOM 312 N N . ASP A 1 21 ? -14.615 4.844 -12.875 1.0 44.41 ? 21 A 9 +ATOM 313 C CA . ASP A 1 21 ? -13.251 4.667 -12.389 1.0 13.43 ? 21 A 9 +ATOM 314 C C . ASP A 1 21 ? -12.304 4.337 -13.538 1.0 74.52 ? 21 A 9 +ATOM 315 O O . ASP A 1 21 ? -12.501 3.358 -14.258 1.0 3.25 ? 21 A 9 +ATOM 316 C CB . ASP A 1 21 ? -13.202 3.559 -11.336 1.0 40.32 ? 21 A 9 +ATOM 317 C CG . ASP A 1 21 ? -13.876 2.285 -11.804 1.0 70.32 ? 21 A 9 +ATOM 318 O OD1 . ASP A 1 21 ? -15.124 2.251 -11.836 1.0 34.41 ? 21 A 9 +ATOM 319 O OD2 . ASP A 1 21 ? -13.156 1.32 -12.138 1.0 4.34 ? 21 A 9 +ATOM 320 H H . ASP A 1 21 ? -15.244 4.094 -12.816 1.0 61.24 ? 21 A 9 +ATOM 321 H HA . ASP A 1 21 ? -12.938 5.596 -11.936 1.0 0.1 ? 21 A 9 +ATOM 322 H HB2 . ASP A 1 21 ? -12.17 3.335 -11.106 1.0 73.15 ? 21 A 9 +ATOM 323 H HB3 . ASP A 1 21 ? -13.699 3.901 -10.44 1.0 61.23 ? 21 A 9 +ATOM 324 N N . VAL A 1 22 ? -11.274 5.161 -13.704 1.0 30.34 ? 22 A 9 +ATOM 325 C CA . VAL A 1 22 ? -10.295 4.956 -14.765 1.0 1.34 ? 22 A 9 +ATOM 326 C C . VAL A 1 22 ? -8.875 5.172 -14.253 1.0 61.2 ? 22 A 9 +ATOM 327 O O . VAL A 1 22 ? -8.671 5.76 -13.19 1.0 34.03 ? 22 A 9 +ATOM 328 C CB . VAL A 1 22 ? -10.549 5.903 -15.953 1.0 60.13 ? 22 A 9 +ATOM 329 C CG1 . VAL A 1 22 ? -11.998 6.367 -15.966 1.0 14.0 ? 22 A 9 +ATOM 330 C CG2 . VAL A 1 22 ? -9.601 7.091 -15.9 1.0 61.12 ? 22 A 9 +ATOM 331 H H . VAL A 1 22 ? -11.169 5.924 -13.098 1.0 71.0 ? 22 A 9 +ATOM 332 H HA . VAL A 1 22 ? -10.39 3.939 -15.116 1.0 41.13 ? 22 A 9 +ATOM 333 H HB . VAL A 1 22 ? -10.36 5.36 -16.867 1.0 23.42 ? 22 A 9 +ATOM 334 H HG11 . VAL A 1 22 ? -12.2 6.888 -16.89 1.0 3.13 ? 22 A 9 +ATOM 335 H HG12 . VAL A 1 22 ? -12.651 5.51 -15.884 1.0 11.12 ? 22 A 9 +ATOM 336 H HG13 . VAL A 1 22 ? -12.17 7.032 -15.133 1.0 2.3 ? 22 A 9 +ATOM 337 H HG21 . VAL A 1 22 ? -9.569 7.482 -14.893 1.0 43.3 ? 22 A 9 +ATOM 338 H HG22 . VAL A 1 22 ? -8.612 6.775 -16.196 1.0 71.52 ? 22 A 9 +ATOM 339 H HG23 . VAL A 1 22 ? -9.949 7.861 -16.573 1.0 24.41 ? 22 A 9 +ATOM 340 N N . ASP A 1 23 ? -7.898 4.693 -15.015 1.0 73.14 ? 23 A 9 +ATOM 341 C CA . ASP A 1 23 ? -6.496 4.835 -14.639 1.0 0.33 ? 23 A 9 +ATOM 342 C C . ASP A 1 23 ? -5.765 5.759 -15.607 1.0 62.12 ? 23 A 9 +ATOM 343 O O . ASP A 1 23 ? -6.136 5.87 -16.776 1.0 35.34 ? 23 A 9 +ATOM 344 C CB . ASP A 1 23 ? -5.814 3.466 -14.606 1.0 24.44 ? 23 A 9 +ATOM 345 C CG . ASP A 1 23 ? -4.96 3.274 -13.369 1.0 11.25 ? 23 A 9 +ATOM 346 O OD1 . ASP A 1 23 ? -4.352 4.263 -12.908 1.0 71.52 ? 23 A 9 +ATOM 347 O OD2 . ASP A 1 23 ? -4.899 2.135 -12.861 1.0 54.12 ? 23 A 9 +ATOM 348 H H . ASP A 1 23 ? -8.125 4.234 -15.85 1.0 71.31 ? 23 A 9 +ATOM 349 H HA . ASP A 1 23 ? -6.46 5.268 -13.651 1.0 62.03 ? 23 A 9 +ATOM 350 H HB2 . ASP A 1 23 ? -6.57 2.694 -14.623 1.0 75.32 ? 23 A 9 +ATOM 351 H HB3 . ASP A 1 23 ? -5.183 3.365 -15.477 1.0 32.1 ? 23 A 9 +ATOM 352 N N . HIS A 1 24 ? -4.724 6.422 -15.112 1.0 3.42 ? 24 A 9 +ATOM 353 C CA . HIS A 1 24 ? -3.94 7.338 -15.934 1.0 64.1 ? 24 A 9 +ATOM 354 C C . HIS A 1 24 ? -3.298 6.602 -17.106 1.0 13.22 ? 24 A 9 +ATOM 355 O O . HIS A 1 24 ? -2.84 7.222 -18.065 1.0 40.32 ? 24 A 9 +ATOM 356 C CB . HIS A 1 24 ? -2.861 8.017 -15.09 1.0 43.52 ? 24 A 9 +ATOM 357 C CG . HIS A 1 24 ? -1.968 7.053 -14.371 1.0 63.23 ? 24 A 9 +ATOM 358 N ND1 . HIS A 1 24 ? -1.013 6.291 -15.01 1.0 33.23 ? 24 A 9 +ATOM 359 C CD2 . HIS A 1 24 ? -1.888 6.73 -13.059 1.0 70.35 ? 24 A 9 +ATOM 360 C CE1 . HIS A 1 24 ? -0.385 5.541 -14.123 1.0 52.22 ? 24 A 9 +ATOM 361 N NE2 . HIS A 1 24 ? -0.897 5.788 -12.931 1.0 51.1 ? 24 A 9 +ATOM 362 H H . HIS A 1 24 ? -4.477 6.292 -14.173 1.0 35.01 ? 24 A 9 +ATOM 363 H HA . HIS A 1 24 ? -4.609 8.091 -16.321 1.0 52.33 ? 24 A 9 +ATOM 364 H HB2 . HIS A 1 24 ? -2.242 8.626 -15.732 1.0 74.33 ? 24 A 9 +ATOM 365 H HB3 . HIS A 1 24 ? -3.334 8.647 -14.351 1.0 2.24 ? 24 A 9 +ATOM 366 H HD1 . HIS A 1 24 ? -0.824 6.299 -15.972 1.0 61.24 ? 24 A 9 +ATOM 367 H HD2 . HIS A 1 24 ? -2.492 7.137 -12.26 1.0 14.35 ? 24 A 9 +ATOM 368 H HE1 . HIS A 1 24 ? 0.411 4.843 -14.335 1.0 73.24 ? 24 A 9 +ATOM 369 N N . ALA A 1 25 ? -3.269 5.276 -17.022 1.0 63.43 ? 25 A 9 +ATOM 370 C CA . ALA A 1 25 ? -2.685 4.456 -18.076 1.0 43.32 ? 25 A 9 +ATOM 371 C C . ALA A 1 25 ? -3.71 4.144 -19.16 1.0 33.54 ? 25 A 9 +ATOM 372 O O . ALA A 1 25 ? -3.447 3.354 -20.068 1.0 12.23 ? 25 A 9 +ATOM 373 C CB . ALA A 1 25 ? -2.122 3.168 -17.492 1.0 51.34 ? 25 A 9 +ATOM 374 H H . ALA A 1 25 ? -3.651 4.839 -16.232 1.0 55.41 ? 25 A 9 +ATOM 375 H HA . ALA A 1 25 ? -1.868 5.01 -18.515 1.0 23.12 ? 25 A 9 +ATOM 376 H HB1 . ALA A 1 25 ? -2.882 2.681 -16.899 1.0 42.21 ? 25 A 9 +ATOM 377 H HB2 . ALA A 1 25 ? -1.815 2.514 -18.294 1.0 3.14 ? 25 A 9 +ATOM 378 H HB3 . ALA A 1 25 ? -1.271 3.398 -16.868 1.0 44.44 ? 25 A 9 +ATOM 379 N N . ASP A 1 26 ? -4.878 4.768 -19.061 1.0 53.31 ? 26 A 9 +ATOM 380 C CA . ASP A 1 26 ? -5.944 4.556 -20.034 1.0 71.32 ? 26 A 9 +ATOM 381 C C . ASP A 1 26 ? -6.008 5.711 -21.028 1.0 31.24 ? 26 A 9 +ATOM 382 O O . ASP A 1 26 ? -5.091 6.53 -21.107 1.0 53.43 ? 26 A 9 +ATOM 383 C CB . ASP A 1 26 ? -7.29 4.403 -19.324 1.0 21.1 ? 26 A 9 +ATOM 384 C CG . ASP A 1 26 ? -7.249 3.359 -18.225 1.0 73.54 ? 26 A 9 +ATOM 385 O OD1 . ASP A 1 26 ? -6.278 2.575 -18.189 1.0 73.22 ? 26 A 9 +ATOM 386 O OD2 . ASP A 1 26 ? -8.188 3.326 -17.403 1.0 2.02 ? 26 A 9 +ATOM 387 H H . ASP A 1 26 ? -5.028 5.386 -18.315 1.0 73.33 ? 26 A 9 +ATOM 388 H HA . ASP A 1 26 ? -5.725 3.646 -20.572 1.0 35.3 ? 26 A 9 +ATOM 389 H HB2 . ASP A 1 26 ? -7.567 5.35 -18.884 1.0 71.15 ? 26 A 9 +ATOM 390 H HB3 . ASP A 1 26 ? -8.039 4.112 -20.045 1.0 51.4 ? 26 A 9 +ATOM 391 N N . THR A 1 27 ? -7.097 5.772 -21.788 1.0 11.22 ? 27 A 9 +ATOM 392 C CA . THR A 1 27 ? -7.28 6.824 -22.779 1.0 12.11 ? 27 A 9 +ATOM 393 C C . THR A 1 27 ? -8.753 7.187 -22.93 1.0 24.55 ? 27 A 9 +ATOM 394 O O . THR A 1 27 ? -9.63 6.494 -22.414 1.0 14.34 ? 27 A 9 +ATOM 395 C CB . THR A 1 27 ? -6.723 6.406 -24.153 1.0 24.42 ? 27 A 9 +ATOM 396 O OG1 . THR A 1 27 ? -6.719 4.978 -24.266 1.0 51.41 ? 27 A 9 +ATOM 397 C CG2 . THR A 1 27 ? -5.312 6.939 -24.35 1.0 72.22 ? 27 A 9 +ATOM 398 H H . THR A 1 27 ? -7.793 5.091 -21.679 1.0 1.33 ? 27 A 9 +ATOM 399 H HA . THR A 1 27 ? -6.737 7.696 -22.444 1.0 54.42 ? 27 A 9 +ATOM 400 H HB . THR A 1 27 ? -7.359 6.818 -24.923 1.0 51.23 ? 27 A 9 +ATOM 401 H HG1 . THR A 1 27 ? -5.901 4.631 -23.902 1.0 23.44 ? 27 A 9 +ATOM 402 H HG21 . THR A 1 27 ? -4.926 6.594 -25.297 1.0 20.21 ? 27 A 9 +ATOM 403 H HG22 . THR A 1 27 ? -4.678 6.583 -23.551 1.0 40.31 ? 27 A 9 +ATOM 404 H HG23 . THR A 1 27 ? -5.331 8.019 -24.341 1.0 53.14 ? 27 A 9 +ATOM 405 N N . VAL A 1 28 ? -9.019 8.278 -23.641 1.0 70.04 ? 28 A 9 +ATOM 406 C CA . VAL A 1 28 ? -10.387 8.732 -23.862 1.0 40.12 ? 28 A 9 +ATOM 407 C C . VAL A 1 28 ? -11.216 7.661 -24.562 1.0 43.3 ? 28 A 9 +ATOM 408 O O . VAL A 1 28 ? -12.326 7.343 -24.137 1.0 51.44 ? 28 A 9 +ATOM 409 C CB . VAL A 1 28 ? -10.422 10.022 -24.702 1.0 70.14 ? 28 A 9 +ATOM 410 C CG1 . VAL A 1 28 ? -11.809 10.645 -24.669 1.0 13.41 ? 28 A 9 +ATOM 411 C CG2 . VAL A 1 28 ? -9.374 11.008 -24.208 1.0 73.55 ? 28 A 9 +ATOM 412 H H . VAL A 1 28 ? -8.278 8.79 -24.028 1.0 50.23 ? 28 A 9 +ATOM 413 H HA . VAL A 1 28 ? -10.829 8.943 -22.899 1.0 62.42 ? 28 A 9 +ATOM 414 H HB . VAL A 1 28 ? -10.191 9.768 -25.726 1.0 52.41 ? 28 A 9 +ATOM 415 H HG11 . VAL A 1 28 ? -11.879 11.408 -25.43 1.0 72.32 ? 28 A 9 +ATOM 416 H HG12 . VAL A 1 28 ? -12.551 9.882 -24.853 1.0 75.12 ? 28 A 9 +ATOM 417 H HG13 . VAL A 1 28 ? -11.982 11.088 -23.699 1.0 43.12 ? 28 A 9 +ATOM 418 H HG21 . VAL A 1 28 ? -9.862 11.9 -23.844 1.0 22.23 ? 28 A 9 +ATOM 419 H HG22 . VAL A 1 28 ? -8.805 10.557 -23.409 1.0 21.24 ? 28 A 9 +ATOM 420 H HG23 . VAL A 1 28 ? -8.711 11.267 -25.02 1.0 51.43 ? 28 A 9 +ATOM 421 N N . GLY A 1 29 ? -10.667 7.105 -25.638 1.0 51.02 ? 29 A 9 +ATOM 422 C CA . GLY A 1 29 ? -11.369 6.074 -26.38 1.0 24.21 ? 29 A 9 +ATOM 423 C C . GLY A 1 29 ? -11.912 4.981 -25.482 1.0 62.32 ? 29 A 9 +ATOM 424 O O . GLY A 1 29 ? -13.092 4.639 -25.552 1.0 1.41 ? 29 A 9 +ATOM 425 H H . GLY A 1 29 ? -9.779 7.398 -25.931 1.0 25.44 ? 29 A 9 +ATOM 426 H HA2 . GLY A 1 29 ? -12.191 6.527 -26.915 1.0 33.14 ? 29 A 9 +ATOM 427 H HA3 . GLY A 1 29 ? -10.688 5.633 -27.093 1.0 61.11 ? 29 A 9 +ATOM 428 N N . ALA A 1 30 ? -11.048 4.429 -24.636 1.0 0.3 ? 30 A 9 +ATOM 429 C CA . ALA A 1 30 ? -11.447 3.368 -23.72 1.0 24.42 ? 30 A 9 +ATOM 430 C C . ALA A 1 30 ? -12.554 3.839 -22.783 1.0 23.15 ? 30 A 9 +ATOM 431 O O . ALA A 1 30 ? -13.501 3.104 -22.505 1.0 23.32 ? 30 A 9 +ATOM 432 C CB . ALA A 1 30 ? -10.247 2.882 -22.92 1.0 4.23 ? 30 A 9 +ATOM 433 H H . ALA A 1 30 ? -10.12 4.744 -24.627 1.0 13.0 ? 30 A 9 +ATOM 434 H HA . ALA A 1 30 ? -11.816 2.54 -24.308 1.0 42.35 ? 30 A 9 +ATOM 435 H HB1 . ALA A 1 30 ? -10.209 1.803 -22.95 1.0 24.3 ? 30 A 9 +ATOM 436 H HB2 . ALA A 1 30 ? -9.342 3.287 -23.347 1.0 15.25 ? 30 A 9 +ATOM 437 H HB3 . ALA A 1 30 ? -10.341 3.211 -21.895 1.0 54.13 ? 30 A 9 +ATOM 438 N N . VAL A 1 31 ? -12.429 5.071 -22.298 1.0 44.02 ? 31 A 9 +ATOM 439 C CA . VAL A 1 31 ? -13.419 5.64 -21.392 1.0 44.43 ? 31 A 9 +ATOM 440 C C . VAL A 1 31 ? -14.786 5.735 -22.062 1.0 22.33 ? 31 A 9 +ATOM 441 O O . VAL A 1 31 ? -15.81 5.427 -21.453 1.0 41.34 ? 31 A 9 +ATOM 442 C CB . VAL A 1 31 ? -12.998 7.041 -20.909 1.0 42.01 ? 31 A 9 +ATOM 443 C CG1 . VAL A 1 31 ? -14.101 7.671 -20.072 1.0 61.22 ? 31 A 9 +ATOM 444 C CG2 . VAL A 1 31 ? -11.698 6.964 -20.123 1.0 34.2 ? 31 A 9 +ATOM 445 H H . VAL A 1 31 ? -11.652 5.609 -22.556 1.0 33.11 ? 31 A 9 +ATOM 446 H HA . VAL A 1 31 ? -13.495 4.993 -20.531 1.0 53.53 ? 31 A 9 +ATOM 447 H HB . VAL A 1 31 ? -12.834 7.664 -21.776 1.0 34.14 ? 31 A 9 +ATOM 448 H HG11 . VAL A 1 31 ? -14.662 8.365 -20.681 1.0 24.43 ? 31 A 9 +ATOM 449 H HG12 . VAL A 1 31 ? -14.759 6.899 -19.703 1.0 62.24 ? 31 A 9 +ATOM 450 H HG13 . VAL A 1 31 ? -13.662 8.199 -19.238 1.0 4.44 ? 31 A 9 +ATOM 451 H HG21 . VAL A 1 31 ? -10.895 7.381 -20.713 1.0 32.4 ? 31 A 9 +ATOM 452 H HG22 . VAL A 1 31 ? -11.799 7.525 -19.206 1.0 31.51 ? 31 A 9 +ATOM 453 H HG23 . VAL A 1 31 ? -11.477 5.932 -19.892 1.0 2.41 ? 31 A 9 +ATOM 454 N N . LYS A 1 32 ? -14.794 6.163 -23.319 1.0 44.33 ? 32 A 9 +ATOM 455 C CA . LYS A 1 32 ? -16.034 6.298 -24.074 1.0 33.41 ? 32 A 9 +ATOM 456 C C . LYS A 1 32 ? -16.802 4.98 -24.098 1.0 33.52 ? 32 A 9 +ATOM 457 O O . LYS A 1 32 ? -18.023 4.96 -23.946 1.0 55.22 ? 32 A 9 +ATOM 458 C CB . LYS A 1 32 ? -15.737 6.753 -25.505 1.0 21.43 ? 32 A 9 +ATOM 459 C CG . LYS A 1 32 ? -16.306 8.121 -25.839 1.0 62.04 ? 32 A 9 +ATOM 460 C CD . LYS A 1 32 ? -15.228 9.192 -25.826 1.0 13.3 ? 32 A 9 +ATOM 461 C CE . LYS A 1 32 ? -14.681 9.449 -27.221 1.0 61.02 ? 32 A 9 +ATOM 462 N NZ . LYS A 1 32 ? -14.291 8.185 -27.906 1.0 10.13 ? 32 A 9 +ATOM 463 H H . LYS A 1 32 ? -13.944 6.394 -23.751 1.0 0.43 ? 32 A 9 +ATOM 464 H HA . LYS A 1 32 ? -16.64 7.046 -23.586 1.0 20.21 ? 32 A 9 +ATOM 465 H HB2 . LYS A 1 32 ? -14.667 6.787 -25.644 1.0 31.13 ? 32 A 9 +ATOM 466 H HB3 . LYS A 1 32 ? -16.158 6.033 -26.193 1.0 51.43 ? 32 A 9 +ATOM 467 H HG2 . LYS A 1 32 ? -16.751 8.085 -26.822 1.0 34.55 ? 32 A 9 +ATOM 468 H HG3 . LYS A 1 32 ? -17.062 8.374 -25.109 1.0 75.31 ? 32 A 9 +ATOM 469 H HD2 . LYS A 1 32 ? -15.649 10.109 -25.442 1.0 62.53 ? 32 A 9 +ATOM 470 H HD3 . LYS A 1 32 ? -14.42 8.868 -25.185 1.0 34.24 ? 32 A 9 +ATOM 471 H HE2 . LYS A 1 32 ? -15.441 9.944 -27.806 1.0 32.35 ? 32 A 9 +ATOM 472 H HE3 . LYS A 1 32 ? -13.814 10.088 -27.142 1.0 31.14 ? 32 A 9 +ATOM 473 H HZ1 . LYS A 1 32 ? -15.132 7.713 -28.293 1.0 3.34 ? 32 A 9 +ATOM 474 H HZ2 . LYS A 1 32 ? -13.825 7.544 -27.232 1.0 11.13 ? 32 A 9 +ATOM 475 H HZ3 . LYS A 1 32 ? -13.632 8.389 -28.684 1.0 13.55 ? 32 A 9 +ATOM 476 N N . ALA A 1 33 ? -16.078 3.882 -24.287 1.0 34.21 ? 33 A 9 +ATOM 477 C CA . ALA A 1 33 ? -16.692 2.56 -24.326 1.0 60.31 ? 33 A 9 +ATOM 478 C C . ALA A 1 33 ? -17.324 2.208 -22.984 1.0 31.03 ? 33 A 9 +ATOM 479 O O . ALA A 1 33 ? -18.411 1.634 -22.929 1.0 31.32 ? 33 A 9 +ATOM 480 C CB . ALA A 1 33 ? -15.662 1.511 -24.718 1.0 54.24 ? 33 A 9 +ATOM 481 H H . ALA A 1 33 ? -15.109 3.962 -24.402 1.0 43.1 ? 33 A 9 +ATOM 482 H HA . ALA A 1 33 ? -17.463 2.573 -25.083 1.0 53.01 ? 33 A 9 +ATOM 483 H HB1 . ALA A 1 33 ? -14.745 1.688 -24.176 1.0 2.33 ? 33 A 9 +ATOM 484 H HB2 . ALA A 1 33 ? -16.039 0.529 -24.478 1.0 61.23 ? 33 A 9 +ATOM 485 H HB3 . ALA A 1 33 ? -15.471 1.574 -25.779 1.0 53.23 ? 33 A 9 +ATOM 486 N N . LYS A 1 34 ? -16.635 2.555 -21.902 1.0 30.14 ? 34 A 9 +ATOM 487 C CA . LYS A 1 34 ? -17.128 2.277 -20.558 1.0 3.41 ? 34 A 9 +ATOM 488 C C . LYS A 1 34 ? -18.467 2.966 -20.316 1.0 51.04 ? 34 A 9 +ATOM 489 O O . LYS A 1 34 ? -19.396 2.366 -19.776 1.0 30.3 ? 34 A 9 +ATOM 490 C CB . LYS A 1 34 ? -16.109 2.737 -19.513 1.0 63.02 ? 34 A 9 +ATOM 491 C CG . LYS A 1 34 ? -16.517 2.422 -18.085 1.0 24.43 ? 34 A 9 +ATOM 492 C CD . LYS A 1 34 ? -16.54 0.924 -17.829 1.0 44.42 ? 34 A 9 +ATOM 493 C CE . LYS A 1 34 ? -15.146 0.322 -17.918 1.0 34.12 ? 34 A 9 +ATOM 494 N NZ . LYS A 1 34 ? -14.183 1.02 -17.022 1.0 13.0 ? 34 A 9 +ATOM 495 H H . LYS A 1 34 ? -15.773 3.011 -22.01 1.0 65.25 ? 34 A 9 +ATOM 496 H HA . LYS A 1 34 ? -17.265 1.21 -20.47 1.0 3.22 ? 34 A 9 +ATOM 497 H HB2 . LYS A 1 34 ? -15.164 2.252 -19.711 1.0 71.03 ? 34 A 9 +ATOM 498 H HB3 . LYS A 1 34 ? -15.979 3.806 -19.601 1.0 71.12 ? 34 A 9 +ATOM 499 H HG2 . LYS A 1 34 ? -15.812 2.881 -17.408 1.0 24.23 ? 34 A 9 +ATOM 500 H HG3 . LYS A 1 34 ? -17.505 2.823 -17.906 1.0 22.21 ? 34 A 9 +ATOM 501 H HD2 . LYS A 1 34 ? -16.936 0.742 -16.841 1.0 63.43 ? 34 A 9 +ATOM 502 H HD3 . LYS A 1 34 ? -17.174 0.451 -18.566 1.0 75.33 ? 34 A 9 +ATOM 503 H HE2 . LYS A 1 34 ? -15.198 -0.718 -17.635 1.0 34.14 ? 34 A 9 +ATOM 504 H HE3 . LYS A 1 34 ? -14.798 0.401 -18.937 1.0 0.12 ? 34 A 9 +ATOM 505 H HZ1 . LYS A 1 34 ? -13.835 1.888 -17.477 1.0 62.42 ? 34 A 9 +ATOM 506 H HZ2 . LYS A 1 34 ? -13.373 0.401 -16.817 1.0 14.2 ? 34 A 9 +ATOM 507 H HZ3 . LYS A 1 34 ? -14.646 1.273 -16.126 1.0 65.2 ? 34 A 9 +ATOM 508 N N . ILE A 1 35 ? -18.558 4.229 -20.72 1.0 14.42 ? 35 A 9 +ATOM 509 C CA . ILE A 1 35 ? -19.785 4.998 -20.549 1.0 22.32 ? 35 A 9 +ATOM 510 C C . ILE A 1 35 ? -20.916 4.425 -21.396 1.0 74.31 ? 35 A 9 +ATOM 511 O O . ILE A 1 35 ? -22.075 4.419 -20.981 1.0 33.23 ? 35 A 9 +ATOM 512 C CB . ILE A 1 35 ? -19.578 6.478 -20.922 1.0 42.5 ? 35 A 9 +ATOM 513 C CG1 . ILE A 1 35 ? -18.407 7.067 -20.133 1.0 22.04 ? 35 A 9 +ATOM 514 C CG2 . ILE A 1 35 ? -20.85 7.272 -20.665 1.0 45.14 ? 35 A 9 +ATOM 515 C CD1 . ILE A 1 35 ? -18.563 6.937 -18.634 1.0 11.1 ? 35 A 9 +ATOM 516 H H . ILE A 1 35 ? -17.783 4.653 -21.144 1.0 54.44 ? 35 A 9 +ATOM 517 H HA . ILE A 1 35 ? -20.068 4.946 -19.508 1.0 30.01 ? 35 A 9 +ATOM 518 H HB . ILE A 1 35 ? -19.355 6.532 -21.977 1.0 2.44 ? 35 A 9 +ATOM 519 H HG12 . ILE A 1 35 ? -17.498 6.56 -20.417 1.0 3.24 ? 35 A 9 +ATOM 520 H HG13 . ILE A 1 35 ? -18.316 8.117 -20.368 1.0 0.11 ? 35 A 9 +ATOM 521 H HG21 . ILE A 1 35 ? -21.644 6.597 -20.382 1.0 65.32 ? 35 A 9 +ATOM 522 H HG22 . ILE A 1 35 ? -20.678 7.978 -19.867 1.0 43.1 ? 35 A 9 +ATOM 523 H HG23 . ILE A 1 35 ? -21.131 7.803 -21.562 1.0 75.41 ? 35 A 9 +ATOM 524 H HD11 . ILE A 1 35 ? -17.795 6.281 -18.248 1.0 43.52 ? 35 A 9 +ATOM 525 H HD12 . ILE A 1 35 ? -18.466 7.91 -18.176 1.0 71.15 ? 35 A 9 +ATOM 526 H HD13 . ILE A 1 35 ? -19.534 6.525 -18.407 1.0 74.3 ? 35 A 9 +ATOM 527 N N . TYR A 1 36 ? -20.571 3.942 -22.585 1.0 62.53 ? 36 A 9 +ATOM 528 C CA . TYR A 1 36 ? -21.557 3.366 -23.491 1.0 64.44 ? 36 A 9 +ATOM 529 C C . TYR A 1 36 ? -22.313 2.223 -22.82 1.0 53.42 ? 36 A 9 +ATOM 530 O O . TYR A 1 36 ? -23.538 2.137 -22.91 1.0 34.33 ? 36 A 9 +ATOM 531 C CB . TYR A 1 36 ? -20.877 2.863 -24.766 1.0 74.42 ? 36 A 9 +ATOM 532 C CG . TYR A 1 36 ? -21.317 1.478 -25.181 1.0 43.51 ? 36 A 9 +ATOM 533 C CD1 . TYR A 1 36 ? -22.583 1.259 -25.709 1.0 62.31 ? 36 A 9 +ATOM 534 C CD2 . TYR A 1 36 ? -20.467 0.387 -25.043 1.0 22.21 ? 36 A 9 +ATOM 535 C CE1 . TYR A 1 36 ? -22.99 -0.006 -26.089 1.0 25.24 ? 36 A 9 +ATOM 536 C CE2 . TYR A 1 36 ? -20.865 -0.881 -25.421 1.0 24.41 ? 36 A 9 +ATOM 537 C CZ . TYR A 1 36 ? -22.127 -1.072 -25.944 1.0 51.0 ? 36 A 9 +ATOM 538 O OH . TYR A 1 36 ? -22.528 -2.333 -26.32 1.0 31.41 ? 36 A 9 +ATOM 539 H H . TYR A 1 36 ? -19.631 3.974 -22.86 1.0 42.53 ? 36 A 9 +ATOM 540 H HA . TYR A 1 36 ? -22.26 4.143 -23.753 1.0 45.34 ? 36 A 9 +ATOM 541 H HB2 . TYR A 1 36 ? -21.103 3.539 -25.576 1.0 32.41 ? 36 A 9 +ATOM 542 H HB3 . TYR A 1 36 ? -19.808 2.84 -24.61 1.0 73.31 ? 36 A 9 +ATOM 543 H HD1 . TYR A 1 36 ? -23.257 2.096 -25.822 1.0 14.41 ? 36 A 9 +ATOM 544 H HD2 . TYR A 1 36 ? -19.48 0.54 -24.633 1.0 73.43 ? 36 A 9 +ATOM 545 H HE1 . TYR A 1 36 ? -23.978 -0.156 -26.498 1.0 30.0 ? 36 A 9 +ATOM 546 H HE2 . TYR A 1 36 ? -20.19 -1.716 -25.307 1.0 11.1 ? 36 A 9 +ATOM 547 H HH . TYR A 1 36 ? -22.202 -2.975 -25.685 1.0 20.21 ? 36 A 9 +ATOM 548 N N . ASP A 1 37 ? -21.573 1.349 -22.147 1.0 31.31 ? 37 A 9 +ATOM 549 C CA . ASP A 1 37 ? -22.172 0.212 -21.458 1.0 4.3 ? 37 A 9 +ATOM 550 C C . ASP A 1 37 ? -22.862 0.657 -20.172 1.0 30.32 ? 37 A 9 +ATOM 551 O O . ASP A 1 37 ? -23.851 0.059 -19.747 1.0 62.0 ? 37 A 9 +ATOM 552 C CB . ASP A 1 37 ? -21.106 -0.839 -21.142 1.0 35.43 ? 37 A 9 +ATOM 553 C CG . ASP A 1 37 ? -21.689 -2.232 -21.008 1.0 34.32 ? 37 A 9 +ATOM 554 O OD1 . ASP A 1 37 ? -22.923 -2.347 -20.857 1.0 31.12 ? 37 A 9 +ATOM 555 O OD2 . ASP A 1 37 ? -20.91 -3.208 -21.052 1.0 3.2 ? 37 A 9 +ATOM 556 H H . ASP A 1 37 ? -20.601 1.472 -22.112 1.0 51.42 ? 37 A 9 +ATOM 557 H HA . ASP A 1 37 ? -22.909 -0.224 -22.115 1.0 32.24 ? 37 A 9 +ATOM 558 H HB2 . ASP A 1 37 ? -20.374 -0.85 -21.936 1.0 43.14 ? 37 A 9 +ATOM 559 H HB3 . ASP A 1 37 ? -20.619 -0.58 -20.213 1.0 34.23 ? 37 A 9 +ATOM 560 N N . LYS A 1 38 ? -22.334 1.709 -19.557 1.0 33.03 ? 38 A 9 +ATOM 561 C CA . LYS A 1 38 ? -22.898 2.236 -18.32 1.0 33.5 ? 38 A 9 +ATOM 562 C C . LYS A 1 38 ? -24.382 2.544 -18.487 1.0 62.1 ? 38 A 9 +ATOM 563 O O . LYS A 1 38 ? -25.198 2.185 -17.638 1.0 13.24 ? 38 A 9 +ATOM 564 C CB . LYS A 1 38 ? -22.149 3.5 -17.891 1.0 32.13 ? 38 A 9 +ATOM 565 C CG . LYS A 1 38 ? -21.39 3.343 -16.585 1.0 11.13 ? 38 A 9 +ATOM 566 C CD . LYS A 1 38 ? -19.954 2.907 -16.824 1.0 55.11 ? 38 A 9 +ATOM 567 C CE . LYS A 1 38 ? -19.846 1.397 -16.963 1.0 12.13 ? 38 A 9 +ATOM 568 N NZ . LYS A 1 38 ? -19.274 0.767 -15.74 1.0 62.42 ? 38 A 9 +ATOM 569 H H . LYS A 1 38 ? -21.545 2.143 -19.946 1.0 40.1 ? 38 A 9 +ATOM 570 H HA . LYS A 1 38 ? -22.782 1.482 -17.556 1.0 13.43 ? 38 A 9 +ATOM 571 H HB2 . LYS A 1 38 ? -21.443 3.765 -18.665 1.0 53.44 ? 38 A 9 +ATOM 572 H HB3 . LYS A 1 38 ? -22.862 4.304 -17.775 1.0 74.35 ? 38 A 9 +ATOM 573 H HG2 . LYS A 1 38 ? -21.385 4.29 -16.066 1.0 72.35 ? 38 A 9 +ATOM 574 H HG3 . LYS A 1 38 ? -21.886 2.6 -15.978 1.0 65.33 ? 38 A 9 +ATOM 575 H HD2 . LYS A 1 38 ? -19.593 3.367 -17.732 1.0 31.44 ? 38 A 9 +ATOM 576 H HD3 . LYS A 1 38 ? -19.346 3.228 -15.99 1.0 51.13 ? 38 A 9 +ATOM 577 H HE2 . LYS A 1 38 ? -20.831 0.993 -17.138 1.0 72.24 ? 38 A 9 +ATOM 578 H HE3 . LYS A 1 38 ? -19.209 1.17 -17.805 1.0 52.14 ? 38 A 9 +ATOM 579 H HZ1 . LYS A 1 38 ? -19.995 0.717 -14.993 1.0 12.21 ? 38 A 9 +ATOM 580 H HZ2 . LYS A 1 38 ? -18.468 1.327 -15.394 1.0 31.3 ? 38 A 9 +ATOM 581 H HZ3 . LYS A 1 38 ? -18.945 -0.196 -15.955 1.0 72.13 ? 38 A 9 +ATOM 582 N N . GLU A 1 39 ? -24.725 3.208 -19.586 1.0 74.33 ? 39 A 9 +ATOM 583 C CA . GLU A 1 39 ? -26.112 3.563 -19.863 1.0 31.43 ? 39 A 9 +ATOM 584 C C . GLU A 1 39 ? -26.625 2.828 -21.098 1.0 55.55 ? 39 A 9 +ATOM 585 O O . GLU A 1 39 ? -27.656 2.157 -21.05 1.0 44.25 ? 39 A 9 +ATOM 586 C CB . GLU A 1 39 ? -26.245 5.074 -20.063 1.0 31.12 ? 39 A 9 +ATOM 587 C CG . GLU A 1 39 ? -25.117 5.681 -20.88 1.0 22.34 ? 39 A 9 +ATOM 588 C CD . GLU A 1 39 ? -25.138 7.197 -20.867 1.0 34.02 ? 39 A 9 +ATOM 589 O OE1 . GLU A 1 39 ? -26.034 7.784 -21.509 1.0 60.52 ? 39 A 9 +ATOM 590 O OE2 . GLU A 1 39 ? -24.258 7.797 -20.214 1.0 24.54 ? 39 A 9 +ATOM 591 H H . GLU A 1 39 ? -24.028 3.466 -20.225 1.0 53.12 ? 39 A 9 +ATOM 592 H HA . GLU A 1 39 ? -26.706 3.269 -19.011 1.0 24.23 ? 39 A 9 +ATOM 593 H HB2 . GLU A 1 39 ? -27.178 5.277 -20.568 1.0 13.32 ? 39 A 9 +ATOM 594 H HB3 . GLU A 1 39 ? -26.258 5.553 -19.095 1.0 53.15 ? 39 A 9 +ATOM 595 H HG2 . GLU A 1 39 ? -24.174 5.346 -20.474 1.0 73.51 ? 39 A 9 +ATOM 596 H HG3 . GLU A 1 39 ? -25.208 5.344 -21.902 1.0 55.55 ? 39 A 9 +ATOM 597 N N . GLY A 1 40 ? -25.898 2.96 -22.203 1.0 41.31 ? 40 A 9 +ATOM 598 C CA . GLY A 1 40 ? -26.295 2.304 -23.435 1.0 23.2 ? 40 A 9 +ATOM 599 C C . GLY A 1 40 ? -26.41 3.271 -24.596 1.0 54.31 ? 40 A 9 +ATOM 600 O O . GLY A 1 40 ? -27.408 3.269 -25.318 1.0 62.35 ? 40 A 9 +ATOM 601 H H . GLY A 1 40 ? -25.085 3.507 -22.182 1.0 1.31 ? 40 A 9 +ATOM 602 H HA2 . GLY A 1 40 ? -25.564 1.548 -23.68 1.0 42.33 ? 40 A 9 +ATOM 603 H HA3 . GLY A 1 40 ? -27.253 1.827 -23.283 1.0 42.25 ? 40 A 9 +ATOM 604 N N . ILE A 1 41 ? -25.388 4.101 -24.776 1.0 11.45 ? 41 A 9 +ATOM 605 C CA . ILE A 1 41 ? -25.379 5.078 -25.857 1.0 13.21 ? 41 A 9 +ATOM 606 C C . ILE A 1 41 ? -24.204 4.844 -26.8 1.0 73.14 ? 41 A 9 +ATOM 607 O O . ILE A 1 41 ? -23.177 4.279 -26.424 1.0 54.03 ? 41 A 9 +ATOM 608 C CB . ILE A 1 41 ? -25.308 6.518 -25.314 1.0 13.54 ? 41 A 9 +ATOM 609 C CG1 . ILE A 1 41 ? -24.214 6.632 -24.251 1.0 35.25 ? 41 A 9 +ATOM 610 C CG2 . ILE A 1 41 ? -26.655 6.935 -24.743 1.0 15.54 ? 41 A 9 +ATOM 611 C CD1 . ILE A 1 41 ? -23.269 7.791 -24.478 1.0 51.21 ? 41 A 9 +ATOM 612 H H . ILE A 1 41 ? -24.621 4.054 -24.167 1.0 10.31 ? 41 A 9 +ATOM 613 H HA . ILE A 1 41 ? -26.3 4.969 -26.412 1.0 22.4 ? 41 A 9 +ATOM 614 H HB . ILE A 1 41 ? -25.073 7.178 -26.135 1.0 2.22 ? 41 A 9 +ATOM 615 H HG12 . ILE A 1 41 ? -24.673 6.764 -23.284 1.0 53.25 ? 41 A 9 +ATOM 616 H HG13 . ILE A 1 41 ? -23.631 5.723 -24.247 1.0 73.21 ? 41 A 9 +ATOM 617 H HG21 . ILE A 1 41 ? -26.529 7.814 -24.128 1.0 41.34 ? 41 A 9 +ATOM 618 H HG22 . ILE A 1 41 ? -27.335 7.158 -25.551 1.0 35.01 ? 41 A 9 +ATOM 619 H HG23 . ILE A 1 41 ? -27.058 6.132 -24.144 1.0 24.24 ? 41 A 9 +ATOM 620 H HD11 . ILE A 1 41 ? -23.426 8.194 -25.469 1.0 13.35 ? 41 A 9 +ATOM 621 H HD12 . ILE A 1 41 ? -23.458 8.56 -23.744 1.0 5.02 ? 41 A 9 +ATOM 622 H HD13 . ILE A 1 41 ? -22.25 7.448 -24.387 1.0 73.01 ? 41 A 9 +ATOM 623 N N . PRO A 1 42 ? -24.355 5.291 -28.056 1.0 42.01 ? 42 A 9 +ATOM 624 C CA . PRO A 1 42 ? -23.315 5.144 -29.079 1.0 63.34 ? 42 A 9 +ATOM 625 C C . PRO A 1 42 ? -22.104 6.029 -28.805 1.0 4.23 ? 42 A 9 +ATOM 626 O O . PRO A 1 42 ? -22.189 7.257 -28.806 1.0 21.54 ? 42 A 9 +ATOM 627 C CB . PRO A 1 42 ? -24.019 5.583 -30.365 1.0 63.45 ? 42 A 9 +ATOM 628 C CG . PRO A 1 42 ? -25.104 6.497 -29.911 1.0 31.23 ? 42 A 9 +ATOM 629 C CD . PRO A 1 42 ? -25.552 5.975 -28.574 1.0 52.22 ? 42 A 9 +ATOM 630 H HA . PRO A 1 42 ? -22.995 4.117 -29.174 1.0 60.32 ? 42 A 9 +ATOM 631 H HB2 . PRO A 1 42 ? -23.315 6.094 -31.007 1.0 50.23 ? 42 A 9 +ATOM 632 H HB3 . PRO A 1 42 ? -24.418 4.719 -30.875 1.0 64.01 ? 42 A 9 +ATOM 633 H HG2 . PRO A 1 42 ? -24.721 7.501 -29.812 1.0 0.11 ? 42 A 9 +ATOM 634 H HG3 . PRO A 1 42 ? -25.922 6.474 -30.615 1.0 1.1 ? 42 A 9 +ATOM 635 H HD2 . PRO A 1 42 ? -25.84 6.791 -27.927 1.0 11.32 ? 42 A 9 +ATOM 636 H HD3 . PRO A 1 42 ? -26.37 5.28 -28.695 1.0 34.03 ? 42 A 9 +ATOM 637 N N . PRO A 1 43 ? -20.947 5.393 -28.566 1.0 1.41 ? 43 A 9 +ATOM 638 C CA . PRO A 1 43 ? -19.696 6.103 -28.287 1.0 62.53 ? 43 A 9 +ATOM 639 C C . PRO A 1 43 ? -19.156 6.829 -29.515 1.0 21.35 ? 43 A 9 +ATOM 640 O O . PRO A 1 43 ? -18.471 7.845 -29.396 1.0 73.42 ? 43 A 9 +ATOM 641 C CB . PRO A 1 43 ? -18.74 4.986 -27.863 1.0 74.43 ? 43 A 9 +ATOM 642 C CG . PRO A 1 43 ? -19.279 3.759 -28.514 1.0 42.11 ? 43 A 9 +ATOM 643 C CD . PRO A 1 43 ? -20.773 3.931 -28.549 1.0 32.53 ? 43 A 9 +ATOM 644 H HA . PRO A 1 43 ? -19.811 6.808 -27.477 1.0 3.1 ? 43 A 9 +ATOM 645 H HB2 . PRO A 1 43 ? -17.741 5.212 -28.21 1.0 1.2 ? 43 A 9 +ATOM 646 H HB3 . PRO A 1 43 ? -18.742 4.895 -26.787 1.0 52.2 ? 43 A 9 +ATOM 647 H HG2 . PRO A 1 43 ? -18.888 3.673 -29.516 1.0 21.5 ? 43 A 9 +ATOM 648 H HG3 . PRO A 1 43 ? -19.016 2.889 -27.931 1.0 41.32 ? 43 A 9 +ATOM 649 H HD2 . PRO A 1 43 ? -21.183 3.483 -29.442 1.0 55.24 ? 43 A 9 +ATOM 650 H HD3 . PRO A 1 43 ? -21.223 3.499 -27.667 1.0 31.14 ? 43 A 9 +ATOM 651 N N . ASP A 1 44 ? -19.468 6.301 -30.693 1.0 54.12 ? 44 A 9 +ATOM 652 C CA . ASP A 1 44 ? -19.015 6.899 -31.944 1.0 51.34 ? 44 A 9 +ATOM 653 C C . ASP A 1 44 ? -19.864 8.115 -32.303 1.0 65.34 ? 44 A 9 +ATOM 654 O O . ASP A 1 44 ? -19.477 8.926 -33.144 1.0 41.23 ? 44 A 9 +ATOM 655 C CB . ASP A 1 44 ? -19.069 5.872 -33.075 1.0 23.35 ? 44 A 9 +ATOM 656 C CG . ASP A 1 44 ? -18.28 6.31 -34.293 1.0 52.14 ? 44 A 9 +ATOM 657 O OD1 . ASP A 1 44 ? -17.464 7.247 -34.167 1.0 70.43 ? 44 A 9 +ATOM 658 O OD2 . ASP A 1 44 ? -18.479 5.715 -35.373 1.0 15.14 ? 44 A 9 +ATOM 659 H H . ASP A 1 44 ? -20.017 5.489 -30.723 1.0 64.31 ? 44 A 9 +ATOM 660 H HA . ASP A 1 44 ? -17.993 7.218 -31.808 1.0 72.42 ? 44 A 9 +ATOM 661 H HB2 . ASP A 1 44 ? -18.66 4.936 -32.722 1.0 64.21 ? 44 A 9 +ATOM 662 H HB3 . ASP A 1 44 ? -20.098 5.722 -33.368 1.0 74.33 ? 44 A 9 +ATOM 663 N N . GLN A 1 45 ? -21.022 8.232 -31.662 1.0 24.51 ? 45 A 9 +ATOM 664 C CA . GLN A 1 45 ? -21.926 9.348 -31.916 1.0 55.1 ? 45 A 9 +ATOM 665 C C . GLN A 1 45 ? -21.797 10.411 -30.831 1.0 65.33 ? 45 A 9 +ATOM 666 O O . GLN A 1 45 ? -22.301 11.524 -30.977 1.0 0.12 ? 45 A 9 +ATOM 667 C CB . GLN A 1 45 ? -23.372 8.853 -31.992 1.0 3.33 ? 45 A 9 +ATOM 668 C CG . GLN A 1 45 ? -23.775 8.364 -33.373 1.0 71.05 ? 45 A 9 +ATOM 669 C CD . GLN A 1 45 ? -24.746 7.2 -33.32 1.0 50.21 ? 45 A 9 +ATOM 670 O OE1 . GLN A 1 45 ? -25.895 7.354 -32.906 1.0 30.33 ? 45 A 9 +ATOM 671 N NE2 . GLN A 1 45 ? -24.287 6.027 -33.739 1.0 54.11 ? 45 A 9 +ATOM 672 H H . GLN A 1 45 ? -21.275 7.553 -31.003 1.0 33.14 ? 45 A 9 +ATOM 673 H HA . GLN A 1 45 ? -21.655 9.784 -32.865 1.0 54.13 ? 45 A 9 +ATOM 674 H HB2 . GLN A 1 45 ? -23.498 8.039 -31.294 1.0 72.22 ? 45 A 9 +ATOM 675 H HB3 . GLN A 1 45 ? -24.031 9.662 -31.714 1.0 51.24 ? 45 A 9 +ATOM 676 H HG2 . GLN A 1 45 ? -24.243 9.178 -33.907 1.0 11.31 ? 45 A 9 +ATOM 677 H HG3 . GLN A 1 45 ? -22.888 8.05 -33.903 1.0 33.23 ? 45 A 9 +ATOM 678 H HE21 . GLN A 1 45 ? -23.359 5.979 -34.054 1.0 35.4 ? 45 A 9 +ATOM 679 H HE22 . GLN A 1 45 ? -24.892 5.257 -33.715 1.0 53.4 ? 45 A 9 +ATOM 680 N N . GLN A 1 46 ? -21.119 10.06 -29.743 1.0 5.34 ? 46 A 9 +ATOM 681 C CA . GLN A 1 46 ? -20.924 10.985 -28.633 1.0 54.21 ? 46 A 9 +ATOM 682 C C . GLN A 1 46 ? -19.504 11.541 -28.629 1.0 23.33 ? 46 A 9 +ATOM 683 O O . GLN A 1 46 ? -18.57 10.885 -29.091 1.0 42.0 ? 46 A 9 +ATOM 684 C CB . GLN A 1 46 ? -21.216 10.288 -27.303 1.0 54.1 ? 46 A 9 +ATOM 685 C CG . GLN A 1 46 ? -20.174 9.249 -26.92 1.0 63.33 ? 46 A 9 +ATOM 686 C CD . GLN A 1 46 ? -19.273 9.714 -25.793 1.0 73.34 ? 46 A 9 +ATOM 687 O OE1 . GLN A 1 46 ? -18.27 10.391 -26.023 1.0 62.34 ? 46 A 9 +ATOM 688 N NE2 . GLN A 1 46 ? -19.626 9.353 -24.565 1.0 52.51 ? 46 A 9 +ATOM 689 H H . GLN A 1 46 ? -20.741 9.159 -29.685 1.0 61.13 ? 46 A 9 +ATOM 690 H HA . GLN A 1 46 ? -21.617 11.804 -28.759 1.0 1.54 ? 46 A 9 +ATOM 691 H HB2 . GLN A 1 46 ? -21.256 11.032 -26.521 1.0 70.34 ? 46 A 9 +ATOM 692 H HB3 . GLN A 1 46 ? -22.175 9.796 -27.371 1.0 24.41 ? 46 A 9 +ATOM 693 H HG2 . GLN A 1 46 ? -20.681 8.348 -26.606 1.0 71.34 ? 46 A 9 +ATOM 694 H HG3 . GLN A 1 46 ? -19.564 9.035 -27.785 1.0 12.44 ? 46 A 9 +ATOM 695 H HE21 . GLN A 1 46 ? -20.437 8.812 -24.457 1.0 61.21 ? 46 A 9 +ATOM 696 H HE22 . GLN A 1 46 ? -19.061 9.639 -23.818 1.0 54.41 ? 46 A 9 +ATOM 697 N N . ARG A 1 47 ? -19.349 12.752 -28.105 1.0 11.31 ? 47 A 9 +ATOM 698 C CA . ARG A 1 47 ? -18.042 13.396 -28.042 1.0 74.42 ? 47 A 9 +ATOM 699 C C . ARG A 1 47 ? -17.858 14.124 -26.714 1.0 0.05 ? 47 A 9 +ATOM 700 O O . ARG A 1 47 ? -18.829 14.433 -26.023 1.0 62.43 ? 47 A 9 +ATOM 701 C CB . ARG A 1 47 ? -17.878 14.379 -29.202 1.0 53.24 ? 47 A 9 +ATOM 702 C CG . ARG A 1 47 ? -18.814 15.575 -29.124 1.0 25.13 ? 47 A 9 +ATOM 703 C CD . ARG A 1 47 ? -19.812 15.578 -30.271 1.0 74.31 ? 47 A 9 +ATOM 704 N NE . ARG A 1 47 ? -20.696 16.739 -30.224 1.0 72.02 ? 47 A 9 +ATOM 705 C CZ . ARG A 1 47 ? -20.3 17.976 -30.499 1.0 4.33 ? 47 A 9 +ATOM 706 N NH1 . ARG A 1 47 ? -19.04 18.212 -30.84 1.0 22.33 ? 47 A 9 +ATOM 707 N NH2 . ARG A 1 47 ? -21.164 18.981 -30.435 1.0 24.44 ? 47 A 9 +ATOM 708 H H . ARG A 1 47 ? -20.131 13.224 -27.752 1.0 14.32 ? 47 A 9 +ATOM 709 H HA . ARG A 1 47 ? -17.289 12.627 -28.125 1.0 52.1 ? 47 A 9 +ATOM 710 H HB2 . ARG A 1 47 ? -16.862 14.745 -29.208 1.0 12.43 ? 47 A 9 +ATOM 711 H HB3 . ARG A 1 47 ? -18.071 13.859 -30.129 1.0 31.22 ? 47 A 9 +ATOM 712 H HG2 . ARG A 1 47 ? -19.356 15.535 -28.19 1.0 2.15 ? 47 A 9 +ATOM 713 H HG3 . ARG A 1 47 ? -18.228 16.481 -29.164 1.0 3.22 ? 47 A 9 +ATOM 714 H HD2 . ARG A 1 47 ? -19.268 15.59 -31.204 1.0 62.34 ? 47 A 9 +ATOM 715 H HD3 . ARG A 1 47 ? -20.408 14.68 -30.214 1.0 4.32 ? 47 A 9 +ATOM 716 H HE . ARG A 1 47 ? -21.631 16.587 -29.974 1.0 51.12 ? 47 A 9 +ATOM 717 H HH11 . ARG A 1 47 ? -18.387 17.457 -30.891 1.0 35.02 ? 47 A 9 +ATOM 718 H HH12 . ARG A 1 47 ? -18.745 19.145 -31.048 1.0 42.25 ? 47 A 9 +ATOM 719 H HH21 . ARG A 1 47 ? -22.115 18.807 -30.178 1.0 32.54 ? 47 A 9 +ATOM 720 H HH22 . ARG A 1 47 ? -20.865 19.912 -30.642 1.0 51.04 ? 47 A 9 +ATOM 721 N N . LEU A 1 48 ? -16.605 14.395 -26.363 1.0 13.42 ? 48 A 9 +ATOM 722 C CA . LEU A 1 48 ? -16.293 15.086 -25.117 1.0 63.04 ? 48 A 9 +ATOM 723 C C . LEU A 1 48 ? -15.887 16.532 -25.384 1.0 70.54 ? 48 A 9 +ATOM 724 O O . LEU A 1 48 ? -15.272 16.836 -26.406 1.0 13.22 ? 48 A 9 +ATOM 725 C CB . LEU A 1 48 ? -15.171 14.359 -24.374 1.0 73.22 ? 48 A 9 +ATOM 726 C CG . LEU A 1 48 ? -15.164 12.834 -24.496 1.0 23.01 ? 48 A 9 +ATOM 727 C CD1 . LEU A 1 48 ? -16.578 12.285 -24.397 1.0 2.23 ? 48 A 9 +ATOM 728 C CD2 . LEU A 1 48 ? -14.514 12.407 -25.803 1.0 62.5 ? 48 A 9 +ATOM 729 H H . LEU A 1 48 ? -15.873 14.124 -26.954 1.0 13.1 ? 48 A 9 +ATOM 730 H HA . LEU A 1 48 ? -17.182 15.082 -24.504 1.0 5.14 ? 48 A 9 +ATOM 731 H HB2 . LEU A 1 48 ? -14.23 14.725 -24.756 1.0 14.35 ? 48 A 9 +ATOM 732 H HB3 . LEU A 1 48 ? -15.254 14.608 -23.326 1.0 62.22 ? 48 A 9 +ATOM 733 H HG . LEU A 1 48 ? -14.587 12.417 -23.682 1.0 74.12 ? 48 A 9 +ATOM 734 H HD11 . LEU A 1 48 ? -17.187 12.96 -23.815 1.0 72.12 ? 48 A 9 +ATOM 735 H HD12 . LEU A 1 48 ? -16.556 11.317 -23.919 1.0 51.52 ? 48 A 9 +ATOM 736 H HD13 . LEU A 1 48 ? -16.996 12.186 -25.388 1.0 50.13 ? 48 A 9 +ATOM 737 H HD21 . LEU A 1 48 ? -15.269 12.319 -26.569 1.0 32.51 ? 48 A 9 +ATOM 738 H HD22 . LEU A 1 48 ? -14.026 11.453 -25.667 1.0 4.35 ? 48 A 9 +ATOM 739 H HD23 . LEU A 1 48 ? -13.783 13.145 -26.1 1.0 44.23 ? 48 A 9 +ATOM 740 N N . ILE A 1 49 ? -16.234 17.419 -24.457 1.0 13.31 ? 49 A 9 +ATOM 741 C CA . ILE A 1 49 ? -15.903 18.832 -24.592 1.0 13.25 ? 49 A 9 +ATOM 742 C C . ILE A 1 49 ? -15.481 19.428 -23.252 1.0 73.24 ? 49 A 9 +ATOM 743 O O . ILE A 1 49 ? -16.184 19.292 -22.251 1.0 20.41 ? 49 A 9 +ATOM 744 C CB . ILE A 1 49 ? -17.092 19.639 -25.147 1.0 42.12 ? 49 A 9 +ATOM 745 C CG1 . ILE A 1 49 ? -17.199 19.453 -26.662 1.0 21.4 ? 49 A 9 +ATOM 746 C CG2 . ILE A 1 49 ? -16.941 21.112 -24.798 1.0 44.11 ? 49 A 9 +ATOM 747 C CD1 . ILE A 1 49 ? -18.497 18.813 -27.102 1.0 30.32 ? 49 A 9 +ATOM 748 H H . ILE A 1 49 ? -16.724 17.116 -23.665 1.0 11.12 ? 49 A 9 +ATOM 749 H HA . ILE A 1 49 ? -15.08 18.917 -25.286 1.0 31.54 ? 49 A 9 +ATOM 750 H HB . ILE A 1 49 ? -17.994 19.274 -24.682 1.0 10.22 ? 49 A 9 +ATOM 751 H HG12 . ILE A 1 49 ? -17.124 20.415 -27.143 1.0 52.53 ? 49 A 9 +ATOM 752 H HG13 . ILE A 1 49 ? -16.387 18.823 -26.998 1.0 23.14 ? 49 A 9 +ATOM 753 H HG21 . ILE A 1 49 ? -15.893 21.374 -24.784 1.0 54.41 ? 49 A 9 +ATOM 754 H HG22 . ILE A 1 49 ? -17.451 21.711 -25.539 1.0 2.4 ? 49 A 9 +ATOM 755 H HG23 . ILE A 1 49 ? -17.372 21.298 -23.826 1.0 53.42 ? 49 A 9 +ATOM 756 H HD11 . ILE A 1 49 ? -19.18 19.58 -27.439 1.0 43.14 ? 49 A 9 +ATOM 757 H HD12 . ILE A 1 49 ? -18.304 18.125 -27.911 1.0 61.33 ? 49 A 9 +ATOM 758 H HD13 . ILE A 1 49 ? -18.936 18.281 -26.272 1.0 3.14 ? 49 A 9 +ATOM 759 N N . PHE A 1 50 ? -14.329 20.089 -23.242 1.0 0.44 ? 50 A 9 +ATOM 760 C CA . PHE A 1 50 ? -13.812 20.707 -22.026 1.0 63.4 ? 50 A 9 +ATOM 761 C C . PHE A 1 50 ? -13.673 22.217 -22.2 1.0 34.31 ? 50 A 9 +ATOM 762 O O . PHE A 1 50 ? -12.801 22.691 -22.927 1.0 24.03 ? 50 A 9 +ATOM 763 C CB . PHE A 1 50 ? -12.459 20.098 -21.654 1.0 1.31 ? 50 A 9 +ATOM 764 C CG . PHE A 1 50 ? -12.022 20.418 -20.254 1.0 63.44 ? 50 A 9 +ATOM 765 C CD1 . PHE A 1 50 ? -12.494 19.68 -19.181 1.0 63.22 ? 50 A 9 +ATOM 766 C CD2 . PHE A 1 50 ? -11.139 21.458 -20.01 1.0 31.12 ? 50 A 9 +ATOM 767 C CE1 . PHE A 1 50 ? -12.094 19.973 -17.891 1.0 44.05 ? 50 A 9 +ATOM 768 C CE2 . PHE A 1 50 ? -10.735 21.755 -18.722 1.0 53.14 ? 50 A 9 +ATOM 769 C CZ . PHE A 1 50 ? -11.212 21.011 -17.661 1.0 64.24 ? 50 A 9 +ATOM 770 H H . PHE A 1 50 ? -13.813 20.164 -24.073 1.0 32.43 ? 50 A 9 +ATOM 771 H HA . PHE A 1 50 ? -14.516 20.512 -21.232 1.0 55.42 ? 50 A 9 +ATOM 772 H HB2 . PHE A 1 50 ? -12.519 19.024 -21.745 1.0 72.21 ? 50 A 9 +ATOM 773 H HB3 . PHE A 1 50 ? -11.706 20.471 -22.332 1.0 52.42 ? 50 A 9 +ATOM 774 H HD1 . PHE A 1 50 ? -13.183 18.867 -19.358 1.0 64.41 ? 50 A 9 +ATOM 775 H HD2 . PHE A 1 50 ? -10.764 22.04 -20.84 1.0 25.0 ? 50 A 9 +ATOM 776 H HE1 . PHE A 1 50 ? -12.469 19.39 -17.063 1.0 33.34 ? 50 A 9 +ATOM 777 H HE2 . PHE A 1 50 ? -10.045 22.568 -18.546 1.0 34.14 ? 50 A 9 +ATOM 778 H HZ . PHE A 1 50 ? -10.899 21.243 -16.654 1.0 42.2 ? 50 A 9 +ATOM 779 N N . GLY A 1 51 ? -14.54 22.967 -21.527 1.0 53.44 ? 51 A 9 +ATOM 780 C CA . GLY A 1 51 ? -14.498 24.414 -21.62 1.0 33.5 ? 51 A 9 +ATOM 781 C C . GLY A 1 51 ? -15.032 24.926 -22.943 1.0 34.32 ? 51 A 9 +ATOM 782 O O . GLY A 1 51 ? -15.13 26.134 -23.156 1.0 0.02 ? 51 A 9 +ATOM 783 H H . GLY A 1 51 ? -15.214 22.533 -20.962 1.0 14.34 ? 51 A 9 +ATOM 784 H HA2 . GLY A 1 51 ? -15.089 24.833 -20.819 1.0 71.3 ? 51 A 9 +ATOM 785 H HA3 . GLY A 1 51 ? -13.475 24.741 -21.508 1.0 2.33 ? 51 A 9 +ATOM 786 N N . GLY A 1 52 ? -15.378 24.004 -23.837 1.0 51.33 ? 52 A 9 +ATOM 787 C CA . GLY A 1 52 ? -15.899 24.388 -25.136 1.0 70.11 ? 52 A 9 +ATOM 788 C C . GLY A 1 52 ? -15.202 23.67 -26.275 1.0 64.35 ? 52 A 9 +ATOM 789 O O . GLY A 1 52 ? -15.769 23.509 -27.356 1.0 21.12 ? 52 A 9 +ATOM 790 H H . GLY A 1 52 ? -15.278 23.055 -23.612 1.0 52.33 ? 52 A 9 +ATOM 791 H HA2 . GLY A 1 52 ? -16.953 24.159 -25.17 1.0 34.31 ? 52 A 9 +ATOM 792 H HA3 . GLY A 1 52 ? -15.767 25.452 -25.263 1.0 33.12 ? 52 A 9 +ATOM 793 N N . LYS A 1 53 ? -13.969 23.237 -26.034 1.0 4.12 ? 53 A 9 +ATOM 794 C CA . LYS A 1 53 ? -13.194 22.533 -27.048 1.0 20.15 ? 53 A 9 +ATOM 795 C C . LYS A 1 53 ? -13.362 21.023 -26.909 1.0 12.34 ? 53 A 9 +ATOM 796 O O . LYS A 1 53 ? -13.503 20.505 -25.802 1.0 53.3 ? 53 A 9 +ATOM 797 C CB . LYS A 1 53 ? -11.713 22.904 -26.936 1.0 12.13 ? 53 A 9 +ATOM 798 C CG . LYS A 1 53 ? -11.112 22.602 -25.574 1.0 34.42 ? 53 A 9 +ATOM 799 C CD . LYS A 1 53 ? -10.483 21.219 -25.537 1.0 44.0 ? 53 A 9 +ATOM 800 C CE . LYS A 1 53 ? -9.31 21.114 -26.499 1.0 75.53 ? 53 A 9 +ATOM 801 N NZ . LYS A 1 53 ? -8.114 20.506 -25.851 1.0 61.53 ? 53 A 9 +ATOM 802 H H . LYS A 1 53 ? -13.572 23.395 -25.152 1.0 32.12 ? 53 A 9 +ATOM 803 H HA . LYS A 1 53 ? -13.56 22.836 -28.016 1.0 74.23 ? 53 A 9 +ATOM 804 H HB2 . LYS A 1 53 ? -11.159 22.353 -27.681 1.0 34.02 ? 53 A 9 +ATOM 805 H HB3 . LYS A 1 53 ? -11.604 23.962 -27.127 1.0 32.22 ? 53 A 9 +ATOM 806 H HG2 . LYS A 1 53 ? -10.351 23.337 -25.355 1.0 24.24 ? 53 A 9 +ATOM 807 H HG3 . LYS A 1 53 ? -11.891 22.654 -24.827 1.0 53.0 ? 53 A 9 +ATOM 808 H HD2 . LYS A 1 53 ? -10.132 21.02 -24.535 1.0 22.42 ? 53 A 9 +ATOM 809 H HD3 . LYS A 1 53 ? -11.229 20.487 -25.811 1.0 0.05 ? 53 A 9 +ATOM 810 H HE2 . LYS A 1 53 ? -9.603 20.503 -27.338 1.0 25.2 ? 53 A 9 +ATOM 811 H HE3 . LYS A 1 53 ? -9.056 22.105 -26.846 1.0 75.24 ? 53 A 9 +ATOM 812 H HZ1 . LYS A 1 53 ? -7.288 20.589 -26.477 1.0 1.33 ? 53 A 9 +ATOM 813 H HZ2 . LYS A 1 53 ? -8.288 19.5 -25.654 1.0 14.14 ? 53 A 9 +ATOM 814 H HZ3 . LYS A 1 53 ? -7.908 20.992 -24.955 1.0 31.25 ? 53 A 9 +ATOM 815 N N . GLN A 1 54 ? -13.343 20.324 -28.04 1.0 32.1 ? 54 A 9 +ATOM 816 C CA . GLN A 1 54 ? -13.493 18.874 -28.043 1.0 3.14 ? 54 A 9 +ATOM 817 C C . GLN A 1 54 ? -12.248 18.197 -27.48 1.0 14.5 ? 54 A 9 +ATOM 818 O O . GLN A 1 54 ? -11.187 18.814 -27.373 1.0 22.04 ? 54 A 9 +ATOM 819 C CB . GLN A 1 54 ? -13.763 18.371 -29.463 1.0 14.03 ? 54 A 9 +ATOM 820 C CG . GLN A 1 54 ? -15.232 18.092 -29.74 1.0 52.41 ? 54 A 9 +ATOM 821 C CD . GLN A 1 54 ? -15.837 19.073 -30.724 1.0 44.23 ? 54 A 9 +ATOM 822 O OE1 . GLN A 1 54 ? -16.302 18.687 -31.797 1.0 25.33 ? 54 A 9 +ATOM 823 N NE2 . GLN A 1 54 ? -15.834 20.351 -30.364 1.0 63.1 ? 54 A 9 +ATOM 824 H H . GLN A 1 54 ? -13.227 20.795 -28.891 1.0 52.11 ? 54 A 9 +ATOM 825 H HA . GLN A 1 54 ? -14.337 18.626 -27.417 1.0 62.04 ? 54 A 9 +ATOM 826 H HB2 . GLN A 1 54 ? -13.421 19.115 -30.166 1.0 31.24 ? 54 A 9 +ATOM 827 H HB3 . GLN A 1 54 ? -13.21 17.457 -29.619 1.0 25.42 ? 54 A 9 +ATOM 828 H HG2 . GLN A 1 54 ? -15.326 17.096 -30.145 1.0 52.11 ? 54 A 9 +ATOM 829 H HG3 . GLN A 1 54 ? -15.778 18.154 -28.81 1.0 53.52 ? 54 A 9 +ATOM 830 H HE21 . GLN A 1 54 ? -15.445 20.586 -29.495 1.0 45.55 ? 54 A 9 +ATOM 831 H HE22 . GLN A 1 54 ? -16.218 21.007 -30.981 1.0 62.42 ? 54 A 9 +ATOM 832 N N . LEU A 1 55 ? -12.384 16.925 -27.121 1.0 51.34 ? 55 A 9 +ATOM 833 C CA . LEU A 1 55 ? -11.269 16.163 -26.567 1.0 40.45 ? 55 A 9 +ATOM 834 C C . LEU A 1 55 ? -10.938 14.965 -27.45 1.0 63.5 ? 55 A 9 +ATOM 835 O O . LEU A 1 55 ? -11.812 14.164 -27.781 1.0 52.11 ? 55 A 9 +ATOM 836 C CB . LEU A 1 55 ? -11.602 15.691 -25.151 1.0 25.03 ? 55 A 9 +ATOM 837 C CG . LEU A 1 55 ? -12.194 16.744 -24.214 1.0 41.33 ? 55 A 9 +ATOM 838 C CD1 . LEU A 1 55 ? -12.34 16.186 -22.807 1.0 33.24 ? 55 A 9 +ATOM 839 C CD2 . LEU A 1 55 ? -11.33 17.997 -24.206 1.0 52.23 ? 55 A 9 +ATOM 840 H H . LEU A 1 55 ? -13.253 16.487 -27.229 1.0 12.34 ? 55 A 9 +ATOM 841 H HA . LEU A 1 55 ? -10.409 16.815 -26.528 1.0 22.21 ? 55 A 9 +ATOM 842 H HB2 . LEU A 1 55 ? -12.312 14.883 -25.23 1.0 55.1 ? 55 A 9 +ATOM 843 H HB3 . LEU A 1 55 ? -10.689 15.324 -24.703 1.0 51.11 ? 55 A 9 +ATOM 844 H HG . LEU A 1 55 ? -13.179 17.019 -24.568 1.0 72.12 ? 55 A 9 +ATOM 845 H HD11 . LEU A 1 55 ? -11.632 15.384 -22.663 1.0 32.04 ? 55 A 9 +ATOM 846 H HD12 . LEU A 1 55 ? -13.343 15.809 -22.672 1.0 44.35 ? 55 A 9 +ATOM 847 H HD13 . LEU A 1 55 ? -12.15 16.969 -22.088 1.0 32.21 ? 55 A 9 +ATOM 848 H HD21 . LEU A 1 55 ? -10.351 17.762 -24.595 1.0 33.14 ? 55 A 9 +ATOM 849 H HD22 . LEU A 1 55 ? -11.238 18.363 -23.194 1.0 72.01 ? 55 A 9 +ATOM 850 H HD23 . LEU A 1 55 ? -11.791 18.756 -24.822 1.0 74.33 ? 55 A 9 +ATOM 851 N N . GLU A 1 56 ? -9.668 14.847 -27.827 1.0 12.02 ? 56 A 9 +ATOM 852 C CA . GLU A 1 56 ? -9.221 13.744 -28.671 1.0 31.33 ? 56 A 9 +ATOM 853 C C . GLU A 1 56 ? -9.236 12.428 -27.899 1.0 62.51 ? 56 A 9 +ATOM 854 O O . GLU A 1 56 ? -9.697 12.37 -26.759 1.0 51.02 ? 56 A 9 +ATOM 855 C CB . GLU A 1 56 ? -7.814 14.02 -29.205 1.0 62.01 ? 56 A 9 +ATOM 856 C CG . GLU A 1 56 ? -6.805 14.35 -28.119 1.0 21.02 ? 56 A 9 +ATOM 857 C CD . GLU A 1 56 ? -5.451 13.713 -28.367 1.0 1.0 ? 56 A 9 +ATOM 858 O OE1 . GLU A 1 56 ? -5.416 12.571 -28.87 1.0 61.34 ? 56 A 9 +ATOM 859 O OE2 . GLU A 1 56 ? -4.427 14.358 -28.059 1.0 22.01 ? 56 A 9 +ATOM 860 H H . GLU A 1 56 ? -9.017 15.517 -27.532 1.0 72.43 ? 56 A 9 +ATOM 861 H HA . GLU A 1 56 ? -9.904 13.667 -29.504 1.0 4.21 ? 56 A 9 +ATOM 862 H HB2 . GLU A 1 56 ? -7.467 13.146 -29.738 1.0 41.11 ? 56 A 9 +ATOM 863 H HB3 . GLU A 1 56 ? -7.86 14.853 -29.891 1.0 51.02 ? 56 A 9 +ATOM 864 H HG2 . GLU A 1 56 ? -6.678 15.422 -28.077 1.0 71.31 ? 56 A 9 +ATOM 865 H HG3 . GLU A 1 56 ? -7.185 13.996 -27.172 1.0 60.44 ? 56 A 9 +ATOM 866 N N . ASP A 1 57 ? -8.728 11.374 -28.529 1.0 71.03 ? 57 A 9 +ATOM 867 C CA . ASP A 1 57 ? -8.682 10.058 -27.902 1.0 63.41 ? 57 A 9 +ATOM 868 C C . ASP A 1 57 ? -7.6 10.006 -26.828 1.0 21.4 ? 57 A 9 +ATOM 869 O O . ASP A 1 57 ? -7.6 9.118 -25.975 1.0 43.31 ? 57 A 9 +ATOM 870 C CB . ASP A 1 57 ? -8.427 8.978 -28.954 1.0 45.31 ? 57 A 9 +ATOM 871 C CG . ASP A 1 57 ? -7.329 9.364 -29.926 1.0 55.43 ? 57 A 9 +ATOM 872 O OD1 . ASP A 1 57 ? -6.201 9.641 -29.468 1.0 72.35 ? 57 A 9 +ATOM 873 O OD2 . ASP A 1 57 ? -7.599 9.39 -31.145 1.0 15.11 ? 57 A 9 +ATOM 874 H H . ASP A 1 57 ? -8.376 11.484 -29.437 1.0 23.12 ? 57 A 9 +ATOM 875 H HA . ASP A 1 57 ? -9.64 9.878 -27.439 1.0 62.14 ? 57 A 9 +ATOM 876 H HB2 . ASP A 1 57 ? -8.136 8.063 -28.458 1.0 24.44 ? 57 A 9 +ATOM 877 H HB3 . ASP A 1 57 ? -9.335 8.807 -29.513 1.0 64.03 ? 57 A 9 +ATOM 878 N N . SER A 1 58 ? -6.678 10.962 -26.877 1.0 32.51 ? 58 A 9 +ATOM 879 C CA . SER A 1 58 ? -5.587 11.022 -25.911 1.0 62.24 ? 58 A 9 +ATOM 880 C C . SER A 1 58 ? -5.769 12.2 -24.958 1.0 2.12 ? 58 A 9 +ATOM 881 O O . SER A 1 58 ? -4.897 12.492 -24.141 1.0 12.21 ? 58 A 9 +ATOM 882 C CB . SER A 1 58 ? -4.244 11.139 -26.634 1.0 65.11 ? 58 A 9 +ATOM 883 O OG . SER A 1 58 ? -3.174 10.759 -25.786 1.0 34.21 ? 58 A 9 +ATOM 884 H H . SER A 1 58 ? -6.731 11.642 -27.581 1.0 21.03 ? 58 A 9 +ATOM 885 H HA . SER A 1 58 ? -5.6 10.106 -25.339 1.0 33.55 ? 58 A 9 +ATOM 886 H HB2 . SER A 1 58 ? -4.247 10.496 -27.5 1.0 31.42 ? 58 A 9 +ATOM 887 H HB3 . SER A 1 58 ? -4.094 12.163 -26.946 1.0 40.4 ? 58 A 9 +ATOM 888 H HG . SER A 1 58 ? -2.813 9.92 -26.083 1.0 10.23 ? 58 A 9 +ATOM 889 N N . ASN A 1 59 ? -6.909 12.873 -25.071 1.0 35.41 ? 59 A 9 +ATOM 890 C CA . ASN A 1 59 ? -7.207 14.02 -24.22 1.0 52.34 ? 59 A 9 +ATOM 891 C C . ASN A 1 59 ? -7.942 13.584 -22.957 1.0 4.01 ? 59 A 9 +ATOM 892 O O . ASN A 1 59 ? -9.15 13.784 -22.829 1.0 42.21 ? 59 A 9 +ATOM 893 C CB . ASN A 1 59 ? -8.048 15.044 -24.986 1.0 21.1 ? 59 A 9 +ATOM 894 C CG . ASN A 1 59 ? -7.201 16.134 -25.613 1.0 14.54 ? 59 A 9 +ATOM 895 O OD1 . ASN A 1 59 ? -6.008 15.947 -25.856 1.0 24.42 ? 59 A 9 +ATOM 896 N ND2 . ASN A 1 59 ? -7.815 17.282 -25.878 1.0 14.44 ? 59 A 9 +ATOM 897 H H . ASN A 1 59 ? -7.566 12.592 -25.742 1.0 5.51 ? 59 A 9 +ATOM 898 H HA . ASN A 1 59 ? -6.27 14.476 -23.939 1.0 74.51 ? 59 A 9 +ATOM 899 H HB2 . ASN A 1 59 ? -8.59 14.54 -25.772 1.0 43.43 ? 59 A 9 +ATOM 900 H HB3 . ASN A 1 59 ? -8.75 15.504 -24.307 1.0 11.21 ? 59 A 9 +ATOM 901 H HD21 . ASN A 1 59 ? -8.766 17.36 -25.657 1.0 21.33 ? 59 A 9 +ATOM 902 H HD22 . ASN A 1 59 ? -7.291 18.003 -26.284 1.0 12.0 ? 59 A 9 +ATOM 903 N N . ALA A 1 60 ? -7.205 12.988 -22.025 1.0 13.11 ? 60 A 9 +ATOM 904 C CA . ALA A 1 60 ? -7.786 12.527 -20.771 1.0 35.51 ? 60 A 9 +ATOM 905 C C . ALA A 1 60 ? -6.703 12.074 -19.798 1.0 74.01 ? 60 A 9 +ATOM 906 O O . ALA A 1 60 ? -6.297 12.826 -18.913 1.0 74.24 ? 60 A 9 +ATOM 907 C CB . ALA A 1 60 ? -8.771 11.396 -21.03 1.0 64.13 ? 60 A 9 +ATOM 908 H H . ALA A 1 60 ? -6.247 12.858 -22.185 1.0 31.12 ? 60 A 9 +ATOM 909 H HA . ALA A 1 60 ? -8.329 13.351 -20.331 1.0 20.01 ? 60 A 9 +ATOM 910 H HB1 . ALA A 1 60 ? -9.177 11.051 -20.09 1.0 72.33 ? 60 A 9 +ATOM 911 H HB2 . ALA A 1 60 ? -9.573 11.755 -21.658 1.0 25.02 ? 60 A 9 +ATOM 912 H HB3 . ALA A 1 60 ? -8.263 10.582 -21.524 1.0 51.02 ? 60 A 9 +ATOM 913 N N . MET A 1 61 ? -6.24 10.84 -19.968 1.0 21.52 ? 61 A 9 +ATOM 914 C CA . MET A 1 61 ? -5.203 10.288 -19.104 1.0 32.03 ? 61 A 9 +ATOM 915 C C . MET A 1 61 ? -3.826 10.805 -19.508 1.0 55.14 ? 61 A 9 +ATOM 916 O O . MET A 1 61 ? -3.1 11.37 -18.69 1.0 73.23 ? 61 A 9 +ATOM 917 C CB . MET A 1 61 ? -5.222 8.759 -19.16 1.0 33.12 ? 61 A 9 +ATOM 918 C CG . MET A 1 61 ? -6.621 8.172 -19.255 1.0 10.31 ? 61 A 9 +ATOM 919 S SD . MET A 1 61 ? -7.746 8.856 -18.022 1.0 3.45 ? 61 A 9 +ATOM 920 C CE . MET A 1 61 ? -9.306 8.761 -18.897 1.0 11.34 ? 61 A 9 +ATOM 921 H H . MET A 1 61 ? -6.603 10.287 -20.691 1.0 44.35 ? 61 A 9 +ATOM 922 H HA . MET A 1 61 ? -5.411 10.604 -18.093 1.0 14.21 ? 61 A 9 +ATOM 923 H HB2 . MET A 1 61 ? -4.66 8.435 -20.023 1.0 14.23 ? 61 A 9 +ATOM 924 H HB3 . MET A 1 61 ? -4.753 8.371 -18.269 1.0 0.24 ? 61 A 9 +ATOM 925 H HG2 . MET A 1 61 ? -7.019 8.379 -20.237 1.0 62.14 ? 61 A 9 +ATOM 926 H HG3 . MET A 1 61 ? -6.559 7.104 -19.112 1.0 32.0 ? 61 A 9 +ATOM 927 H HE1 . MET A 1 61 ? -9.85 7.887 -18.567 1.0 54.23 ? 61 A 9 +ATOM 928 H HE2 . MET A 1 61 ? -9.888 9.646 -18.692 1.0 64.31 ? 61 A 9 +ATOM 929 H HE3 . MET A 1 61 ? -9.119 8.69 -19.958 1.0 24.11 ? 61 A 9 +ATOM 930 N N . SER A 1 62 ? -3.473 10.609 -20.775 1.0 73.15 ? 62 A 9 +ATOM 931 C CA . SER A 1 62 ? -2.182 11.053 -21.286 1.0 12.22 ? 62 A 9 +ATOM 932 C C . SER A 1 62 ? -2.007 12.556 -21.09 1.0 13.52 ? 62 A 9 +ATOM 933 O O . SER A 1 62 ? -0.896 13.039 -20.867 1.0 42.51 ? 62 A 9 +ATOM 934 C CB . SER A 1 62 ? -2.049 10.702 -22.769 1.0 62.33 ? 62 A 9 +ATOM 935 O OG . SER A 1 62 ? -0.721 10.319 -23.085 1.0 14.13 ? 62 A 9 +ATOM 936 H H . SER A 1 62 ? -4.096 10.153 -21.379 1.0 74.25 ? 62 A 9 +ATOM 937 H HA . SER A 1 62 ? -1.411 10.537 -20.732 1.0 74.15 ? 62 A 9 +ATOM 938 H HB2 . SER A 1 62 ? -2.712 9.883 -23.003 1.0 54.41 ? 62 A 9 +ATOM 939 H HB3 . SER A 1 62 ? -2.315 11.563 -23.365 1.0 23.45 ? 62 A 9 +ATOM 940 H HG . SER A 1 62 ? -0.588 9.399 -22.848 1.0 1.23 ? 62 A 9 +ATOM 941 N N . ASP A 1 63 ? -3.111 13.289 -21.174 1.0 34.33 ? 63 A 9 +ATOM 942 C CA . ASP A 1 63 ? -3.082 14.737 -21.005 1.0 10.21 ? 63 A 9 +ATOM 943 C C . ASP A 1 63 ? -2.595 15.112 -19.608 1.0 63.54 ? 63 A 9 +ATOM 944 O O . ASP A 1 63 ? -2.068 16.204 -19.396 1.0 31.33 ? 63 A 9 +ATOM 945 C CB . ASP A 1 63 ? -4.471 15.329 -21.249 1.0 21.1 ? 63 A 9 +ATOM 946 C CG . ASP A 1 63 ? -4.418 16.799 -21.616 1.0 12.2 ? 63 A 9 +ATOM 947 O OD1 . ASP A 1 63 ? -4.04 17.614 -20.748 1.0 53.24 ? 63 A 9 +ATOM 948 O OD2 . ASP A 1 63 ? -4.753 17.134 -22.771 1.0 3.13 ? 63 A 9 +ATOM 949 H H . ASP A 1 63 ? -3.967 12.846 -21.353 1.0 14.4 ? 63 A 9 +ATOM 950 H HA . ASP A 1 63 ? -2.395 15.143 -21.732 1.0 72.42 ? 63 A 9 +ATOM 951 H HB2 . ASP A 1 63 ? -4.946 14.793 -22.058 1.0 63.34 ? 63 A 9 +ATOM 952 H HB3 . ASP A 1 63 ? -5.064 15.221 -20.353 1.0 44.51 ? 63 A 9 +ATOM 953 N N . TYR A 1 64 ? -2.775 14.199 -18.66 1.0 43.15 ? 64 A 9 +ATOM 954 C CA . TYR A 1 64 ? -2.357 14.435 -17.283 1.0 74.44 ? 64 A 9 +ATOM 955 C C . TYR A 1 64 ? -3.354 15.332 -16.557 1.0 35.31 ? 64 A 9 +ATOM 956 O O . TYR A 1 64 ? -3.026 15.952 -15.546 1.0 63.11 ? 64 A 9 +ATOM 957 C CB . TYR A 1 64 ? -0.965 15.069 -17.252 1.0 41.31 ? 64 A 9 +ATOM 958 C CG . TYR A 1 64 ? -0.188 14.763 -15.992 1.0 35.31 ? 64 A 9 +ATOM 959 C CD1 . TYR A 1 64 ? 0.232 13.47 -15.708 1.0 10.21 ? 64 A 9 +ATOM 960 C CD2 . TYR A 1 64 ? 0.126 15.768 -15.085 1.0 61.0 ? 64 A 9 +ATOM 961 C CE1 . TYR A 1 64 ? 0.942 13.186 -14.557 1.0 31.32 ? 64 A 9 +ATOM 962 C CE2 . TYR A 1 64 ? 0.836 15.494 -13.932 1.0 3.01 ? 64 A 9 +ATOM 963 C CZ . TYR A 1 64 ? 1.241 14.201 -13.673 1.0 35.43 ? 64 A 9 +ATOM 964 O OH . TYR A 1 64 ? 1.949 13.922 -12.526 1.0 23.32 ? 64 A 9 +ATOM 965 H H . TYR A 1 64 ? -3.2 13.347 -18.891 1.0 10.22 ? 64 A 9 +ATOM 966 H HA . TYR A 1 64 ? -2.317 13.479 -16.781 1.0 40.51 ? 64 A 9 +ATOM 967 H HB2 . TYR A 1 64 ? -0.392 14.705 -18.091 1.0 75.32 ? 64 A 9 +ATOM 968 H HB3 . TYR A 1 64 ? -1.065 16.142 -17.329 1.0 32.34 ? 64 A 9 +ATOM 969 H HD1 . TYR A 1 64 ? -0.004 12.677 -16.403 1.0 1.35 ? 64 A 9 +ATOM 970 H HD2 . TYR A 1 64 ? -0.193 16.78 -15.291 1.0 32.41 ? 64 A 9 +ATOM 971 H HE1 . TYR A 1 64 ? 1.259 12.174 -14.354 1.0 52.21 ? 64 A 9 +ATOM 972 H HE2 . TYR A 1 64 ? 1.071 16.288 -13.239 1.0 43.14 ? 64 A 9 +ATOM 973 H HH . TYR A 1 64 ? 1.492 13.242 -12.025 1.0 23.33 ? 64 A 9 +ATOM 974 N N . ASN A 1 65 ? -4.573 15.397 -17.082 1.0 61.21 ? 65 A 9 +ATOM 975 C CA . ASN A 1 65 ? -5.62 16.218 -16.485 1.0 70.22 ? 65 A 9 +ATOM 976 C C . ASN A 1 65 ? -6.684 15.347 -15.824 1.0 21.44 ? 65 A 9 +ATOM 977 O O . ASN A 1 65 ? -7.76 15.827 -15.466 1.0 22.24 ? 65 A 9 +ATOM 978 C CB . ASN A 1 65 ? -6.264 17.112 -17.547 1.0 30.31 ? 65 A 9 +ATOM 979 C CG . ASN A 1 65 ? -7.143 18.189 -16.94 1.0 75.23 ? 65 A 9 +ATOM 980 O OD1 . ASN A 1 65 ? -6.845 18.718 -15.87 1.0 74.2 ? 65 A 9 +ATOM 981 N ND2 . ASN A 1 65 ? -8.233 18.517 -17.624 1.0 12.4 ? 65 A 9 +ATOM 982 H H . ASN A 1 65 ? -4.774 14.88 -17.89 1.0 72.01 ? 65 A 9 +ATOM 983 H HA . ASN A 1 65 ? -5.163 16.841 -15.731 1.0 43.44 ? 65 A 9 +ATOM 984 H HB2 . ASN A 1 65 ? -5.487 17.592 -18.124 1.0 12.24 ? 65 A 9 +ATOM 985 H HB3 . ASN A 1 65 ? -6.87 16.504 -18.201 1.0 73.02 ? 65 A 9 +ATOM 986 H HD21 . ASN A 1 65 ? -8.406 18.053 -18.47 1.0 23.44 ? 65 A 9 +ATOM 987 H HD22 . ASN A 1 65 ? -8.818 19.211 -17.256 1.0 32.24 ? 65 A 9 +ATOM 988 N N . VAL A 1 66 ? -6.376 14.064 -15.664 1.0 11.4 ? 66 A 9 +ATOM 989 C CA . VAL A 1 66 ? -7.304 13.126 -15.044 1.0 70.45 ? 66 A 9 +ATOM 990 C C . VAL A 1 66 ? -7.179 13.152 -13.525 1.0 73.11 ? 66 A 9 +ATOM 991 O O . VAL A 1 66 ? -6.103 12.915 -12.977 1.0 33.12 ? 66 A 9 +ATOM 992 C CB . VAL A 1 66 ? -7.066 11.689 -15.543 1.0 40.11 ? 66 A 9 +ATOM 993 C CG1 . VAL A 1 66 ? -5.643 11.246 -15.236 1.0 32.21 ? 66 A 9 +ATOM 994 C CG2 . VAL A 1 66 ? -8.075 10.735 -14.921 1.0 25.13 ? 66 A 9 +ATOM 995 H H . VAL A 1 66 ? -5.502 13.741 -15.969 1.0 25.31 ? 66 A 9 +ATOM 996 H HA . VAL A 1 66 ? -8.307 13.419 -15.318 1.0 44.24 ? 66 A 9 +ATOM 997 H HB . VAL A 1 66 ? -7.201 11.674 -16.614 1.0 65.05 ? 66 A 9 +ATOM 998 H HG11 . VAL A 1 66 ? -5.664 10.456 -14.499 1.0 62.5 ? 66 A 9 +ATOM 999 H HG12 . VAL A 1 66 ? -5.176 10.884 -16.14 1.0 4.5 ? 66 A 9 +ATOM 1000 H HG13 . VAL A 1 66 ? -5.081 12.083 -14.85 1.0 12.32 ? 66 A 9 +ATOM 1001 H HG21 . VAL A 1 66 ? -8.068 10.852 -13.848 1.0 23.4 ? 66 A 9 +ATOM 1002 H HG22 . VAL A 1 66 ? -9.061 10.959 -15.302 1.0 64.2 ? 66 A 9 +ATOM 1003 H HG23 . VAL A 1 66 ? -7.814 9.718 -15.175 1.0 74.31 ? 66 A 9 +ATOM 1004 N N . GLN A 1 67 ? -8.288 13.442 -12.851 1.0 5.43 ? 67 A 9 +ATOM 1005 C CA . GLN A 1 67 ? -8.302 13.499 -11.394 1.0 15.5 ? 67 A 9 +ATOM 1006 C C . GLN A 1 67 ? -9.326 12.525 -10.821 1.0 62.54 ? 67 A 9 +ATOM 1007 O O . GLN A 1 67 ? -9.976 11.784 -11.559 1.0 44.01 ? 67 A 9 +ATOM 1008 C CB . GLN A 1 67 ? -8.613 14.92 -10.921 1.0 35.11 ? 67 A 9 +ATOM 1009 C CG . GLN A 1 67 ? -10.002 15.4 -11.31 1.0 11.21 ? 67 A 9 +ATOM 1010 C CD . GLN A 1 67 ? -10.439 16.621 -10.524 1.0 34.44 ? 67 A 9 +ATOM 1011 O OE1 . GLN A 1 67 ? -10.642 17.697 -11.088 1.0 41.54 ? 67 A 9 +ATOM 1012 N NE2 . GLN A 1 67 ? -10.585 16.461 -9.214 1.0 50.51 ? 67 A 9 +ATOM 1013 H H . GLN A 1 67 ? -9.114 13.621 -13.344 1.0 54.23 ? 67 A 9 +ATOM 1014 H HA . GLN A 1 67 ? -7.321 13.219 -11.041 1.0 21.13 ? 67 A 9 +ATOM 1015 H HB2 . GLN A 1 67 ? -8.531 14.955 -9.845 1.0 61.05 ? 67 A 9 +ATOM 1016 H HB3 . GLN A 1 67 ? -7.889 15.596 -11.351 1.0 21.05 ? 67 A 9 +ATOM 1017 H HG2 . GLN A 1 67 ? -10.002 15.649 -12.361 1.0 63.24 ? 67 A 9 +ATOM 1018 H HG3 . GLN A 1 67 ? -10.708 14.603 -11.13 1.0 63.02 ? 67 A 9 +ATOM 1019 H HE21 . GLN A 1 67 ? -10.405 15.576 -8.833 1.0 0.12 ? 67 A 9 +ATOM 1020 H HE22 . GLN A 1 67 ? -10.866 17.234 -8.682 1.0 72.41 ? 67 A 9 +ATOM 1021 N N . LYS A 1 68 ? -9.465 12.529 -9.499 1.0 63.33 ? 68 A 9 +ATOM 1022 C CA . LYS A 1 68 ? -10.41 11.647 -8.826 1.0 34.0 ? 68 A 9 +ATOM 1023 C C . LYS A 1 68 ? -11.847 12.013 -9.184 1.0 33.21 ? 68 A 9 +ATOM 1024 O O . LYS A 1 68 ? -12.726 11.152 -9.217 1.0 33.01 ? 68 A 9 +ATOM 1025 C CB . LYS A 1 68 ? -10.217 11.721 -7.309 1.0 41.41 ? 68 A 9 +ATOM 1026 C CG . LYS A 1 68 ? -10.817 10.543 -6.561 1.0 61.44 ? 68 A 9 +ATOM 1027 C CD . LYS A 1 68 ? -10.066 9.255 -6.855 1.0 43.41 ? 68 A 9 +ATOM 1028 C CE . LYS A 1 68 ? -8.825 9.123 -5.987 1.0 23.43 ? 68 A 9 +ATOM 1029 N NZ . LYS A 1 68 ? -9.163 9.09 -4.537 1.0 52.05 ? 68 A 9 +ATOM 1030 H H . LYS A 1 68 ? -8.918 13.142 -8.964 1.0 75.53 ? 68 A 9 +ATOM 1031 H HA . LYS A 1 68 ? -10.215 10.638 -9.156 1.0 31.4 ? 68 A 9 +ATOM 1032 H HB2 . LYS A 1 68 ? -9.159 11.756 -7.094 1.0 51.5 ? 68 A 9 +ATOM 1033 H HB3 . LYS A 1 68 ? -10.68 12.626 -6.944 1.0 62.4 ? 68 A 9 +ATOM 1034 H HG2 . LYS A 1 68 ? -10.77 10.74 -5.501 1.0 22.33 ? 68 A 9 +ATOM 1035 H HG3 . LYS A 1 68 ? -11.848 10.425 -6.862 1.0 45.02 ? 68 A 9 +ATOM 1036 H HD2 . LYS A 1 68 ? -10.718 8.416 -6.661 1.0 14.2 ? 68 A 9 +ATOM 1037 H HD3 . LYS A 1 68 ? -9.77 9.251 -7.895 1.0 13.53 ? 68 A 9 +ATOM 1038 H HE2 . LYS A 1 68 ? -8.313 8.21 -6.249 1.0 43.13 ? 68 A 9 +ATOM 1039 H HE3 . LYS A 1 68 ? -8.177 9.966 -6.177 1.0 63.42 ? 68 A 9 +ATOM 1040 H HZ1 . LYS A 1 68 ? -8.446 8.547 -4.015 1.0 1.54 ? 68 A 9 +ATOM 1041 H HZ2 . LYS A 1 68 ? -10.091 8.642 -4.397 1.0 73.32 ? 68 A 9 +ATOM 1042 H HZ3 . LYS A 1 68 ? -9.197 10.056 -4.155 1.0 23.44 ? 68 A 9 +ATOM 1043 N N . GLU A 1 69 ? -12.076 13.294 -9.455 1.0 51.1 ? 69 A 9 +ATOM 1044 C CA . GLU A 1 69 ? -13.407 13.772 -9.812 1.0 15.41 ? 69 A 9 +ATOM 1045 C C . GLU A 1 69 ? -13.322 14.921 -10.812 1.0 20.25 ? 69 A 9 +ATOM 1046 O O . GLU A 1 69 ? -13.444 16.089 -10.444 1.0 55.15 ? 69 A 9 +ATOM 1047 C CB . GLU A 1 69 ? -14.163 14.224 -8.561 1.0 42.14 ? 69 A 9 +ATOM 1048 C CG . GLU A 1 69 ? -13.333 15.088 -7.627 1.0 32.44 ? 69 A 9 +ATOM 1049 C CD . GLU A 1 69 ? -14.186 15.95 -6.717 1.0 60.3 ? 69 A 9 +ATOM 1050 O OE1 . GLU A 1 69 ? -14.659 15.434 -5.682 1.0 52.11 ? 69 A 9 +ATOM 1051 O OE2 . GLU A 1 69 ? -14.38 17.141 -7.039 1.0 33.22 ? 69 A 9 +ATOM 1052 H H . GLU A 1 69 ? -11.334 13.932 -9.412 1.0 51.55 ? 69 A 9 +ATOM 1053 H HA . GLU A 1 69 ? -13.942 12.953 -10.268 1.0 21.13 ? 69 A 9 +ATOM 1054 H HB2 . GLU A 1 69 ? -15.032 14.79 -8.865 1.0 70.35 ? 69 A 9 +ATOM 1055 H HB3 . GLU A 1 69 ? -14.488 13.35 -8.016 1.0 25.14 ? 69 A 9 +ATOM 1056 H HG2 . GLU A 1 69 ? -12.717 14.445 -7.015 1.0 60.54 ? 69 A 9 +ATOM 1057 H HG3 . GLU A 1 69 ? -12.7 15.732 -8.22 1.0 2.43 ? 69 A 9 +ATOM 1058 N N . SER A 1 70 ? -13.111 14.58 -12.08 1.0 51.41 ? 70 A 9 +ATOM 1059 C CA . SER A 1 70 ? -13.005 15.583 -13.133 1.0 50.24 ? 70 A 9 +ATOM 1060 C C . SER A 1 70 ? -14.359 15.82 -13.796 1.0 72.1 ? 70 A 9 +ATOM 1061 O O . SER A 1 70 ? -15.014 14.882 -14.251 1.0 13.02 ? 70 A 9 +ATOM 1062 C CB . SER A 1 70 ? -11.981 15.145 -14.182 1.0 75.43 ? 70 A 9 +ATOM 1063 O OG . SER A 1 70 ? -11.057 16.184 -14.458 1.0 45.33 ? 70 A 9 +ATOM 1064 H H . SER A 1 70 ? -13.023 13.632 -12.311 1.0 42.55 ? 70 A 9 +ATOM 1065 H HA . SER A 1 70 ? -12.672 16.505 -12.681 1.0 61.25 ? 70 A 9 +ATOM 1066 H HB2 . SER A 1 70 ? -11.44 14.286 -13.816 1.0 1.23 ? 70 A 9 +ATOM 1067 H HB3 . SER A 1 70 ? -12.495 14.884 -15.096 1.0 50.33 ? 70 A 9 +ATOM 1068 H HG . SER A 1 70 ? -11.053 16.367 -15.4 1.0 14.24 ? 70 A 9 +ATOM 1069 N N . THR A 1 71 ? -14.773 17.083 -13.846 1.0 52.55 ? 71 A 9 +ATOM 1070 C CA . THR A 1 71 ? -16.048 17.445 -14.451 1.0 43.33 ? 71 A 9 +ATOM 1071 C C . THR A 1 71 ? -15.871 17.841 -15.912 1.0 63.44 ? 71 A 9 +ATOM 1072 O O . THR A 1 71 ? -15.23 18.847 -16.22 1.0 13.52 ? 71 A 9 +ATOM 1073 C CB . THR A 1 71 ? -16.719 18.607 -13.694 1.0 4.41 ? 71 A 9 +ATOM 1074 O OG1 . THR A 1 71 ? -15.726 19.529 -13.233 1.0 4.41 ? 71 A 9 +ATOM 1075 C CG2 . THR A 1 71 ? -17.525 18.088 -12.512 1.0 4.35 ? 71 A 9 +ATOM 1076 H H . THR A 1 71 ? -14.206 17.786 -13.466 1.0 14.04 ? 71 A 9 +ATOM 1077 H HA . THR A 1 71 ? -16.699 16.584 -14.398 1.0 24.13 ? 71 A 9 +ATOM 1078 H HB . THR A 1 71 ? -17.389 19.118 -14.37 1.0 70.41 ? 71 A 9 +ATOM 1079 H HG1 . THR A 1 71 ? -16.147 20.22 -12.715 1.0 53.11 ? 71 A 9 +ATOM 1080 H HG21 . THR A 1 71 ? -18.522 17.837 -12.839 1.0 12.42 ? 71 A 9 +ATOM 1081 H HG22 . THR A 1 71 ? -17.579 18.852 -11.75 1.0 75.2 ? 71 A 9 +ATOM 1082 H HG23 . THR A 1 71 ? -17.046 17.209 -12.108 1.0 31.12 ? 71 A 9 +ATOM 1083 N N . LEU A 1 72 ? -16.442 17.045 -16.81 1.0 74.32 ? 72 A 9 +ATOM 1084 C CA . LEU A 1 72 ? -16.348 17.314 -18.24 1.0 62.12 ? 72 A 9 +ATOM 1085 C C . LEU A 1 72 ? -17.729 17.308 -18.888 1.0 14.1 ? 72 A 9 +ATOM 1086 O O . LEU A 1 72 ? -18.652 16.655 -18.4 1.0 22.33 ? 72 A 9 +ATOM 1087 C CB . LEU A 1 72 ? -15.451 16.275 -18.916 1.0 54.24 ? 72 A 9 +ATOM 1088 C CG . LEU A 1 72 ? -16.164 15.065 -19.521 1.0 12.34 ? 72 A 9 +ATOM 1089 C CD1 . LEU A 1 72 ? -16.349 15.248 -21.019 1.0 71.53 ? 72 A 9 +ATOM 1090 C CD2 . LEU A 1 72 ? -15.387 13.789 -19.23 1.0 45.31 ? 72 A 9 +ATOM 1091 H H . LEU A 1 72 ? -16.939 16.259 -16.504 1.0 40.44 ? 72 A 9 +ATOM 1092 H HA . LEU A 1 72 ? -15.909 18.292 -18.365 1.0 22.23 ? 72 A 9 +ATOM 1093 H HB2 . LEU A 1 72 ? -14.91 16.77 -19.708 1.0 24.33 ? 72 A 9 +ATOM 1094 H HB3 . LEU A 1 72 ? -14.751 15.913 -18.177 1.0 64.44 ? 72 A 9 +ATOM 1095 H HG . LEU A 1 72 ? -17.143 14.971 -19.073 1.0 60.22 ? 72 A 9 +ATOM 1096 H HD11 . LEU A 1 72 ? -15.388 15.407 -21.484 1.0 22.12 ? 72 A 9 +ATOM 1097 H HD12 . LEU A 1 72 ? -16.983 16.104 -21.201 1.0 11.12 ? 72 A 9 +ATOM 1098 H HD13 . LEU A 1 72 ? -16.81 14.364 -21.435 1.0 74.11 ? 72 A 9 +ATOM 1099 H HD21 . LEU A 1 72 ? -14.53 13.732 -19.885 1.0 45.11 ? 72 A 9 +ATOM 1100 H HD22 . LEU A 1 72 ? -16.026 12.934 -19.397 1.0 64.51 ? 72 A 9 +ATOM 1101 H HD23 . LEU A 1 72 ? -15.056 13.795 -18.202 1.0 15.53 ? 72 A 9 +ATOM 1102 N N . HIS A 1 73 ? -17.863 18.038 -19.99 1.0 22.1 ? 73 A 9 +ATOM 1103 C CA . HIS A 1 73 ? -19.131 18.115 -20.707 1.0 43.22 ? 73 A 9 +ATOM 1104 C C . HIS A 1 73 ? -19.16 17.126 -21.868 1.0 1.12 ? 73 A 9 +ATOM 1105 O O . HIS A 1 73 ? -18.334 17.197 -22.779 1.0 41.41 ? 73 A 9 +ATOM 1106 C CB . HIS A 1 73 ? -19.363 19.535 -21.226 1.0 34.11 ? 73 A 9 +ATOM 1107 C CG . HIS A 1 73 ? -20.8 19.84 -21.515 1.0 25.31 ? 73 A 9 +ATOM 1108 N ND1 . HIS A 1 73 ? -21.35 21.094 -21.357 1.0 22.31 ? 73 A 9 +ATOM 1109 C CD2 . HIS A 1 73 ? -21.802 19.044 -21.957 1.0 30.12 ? 73 A 9 +ATOM 1110 C CE1 . HIS A 1 73 ? -22.629 21.057 -21.687 1.0 74.03 ? 73 A 9 +ATOM 1111 N NE2 . HIS A 1 73 ? -22.928 19.824 -22.056 1.0 22.32 ? 73 A 9 +ATOM 1112 H H . HIS A 1 73 ? -17.091 18.537 -20.33 1.0 41.1 ? 73 A 9 +ATOM 1113 H HA . HIS A 1 73 ? -19.919 17.862 -20.014 1.0 23.25 ? 73 A 9 +ATOM 1114 H HB2 . HIS A 1 73 ? -19.016 20.242 -20.486 1.0 51.13 ? 73 A 9 +ATOM 1115 H HB3 . HIS A 1 73 ? -18.803 19.673 -22.139 1.0 64.13 ? 73 A 9 +ATOM 1116 H HD1 . HIS A 1 73 ? -20.875 21.892 -21.046 1.0 63.31 ? 73 A 9 +ATOM 1117 H HD2 . HIS A 1 73 ? -21.731 17.991 -22.189 1.0 71.43 ? 73 A 9 +ATOM 1118 H HE1 . HIS A 1 73 ? -23.313 21.891 -21.661 1.0 3.34 ? 73 A 9 +ATOM 1119 N N . LEU A 1 74 ? -20.115 16.203 -21.829 1.0 31.4 ? 74 A 9 +ATOM 1120 C CA . LEU A 1 74 ? -20.252 15.198 -22.877 1.0 41.22 ? 74 A 9 +ATOM 1121 C C . LEU A 1 74 ? -21.463 15.49 -23.757 1.0 21.0 ? 74 A 9 +ATOM 1122 O O . LEU A 1 74 ? -22.601 15.484 -23.286 1.0 70.53 ? 74 A 9 +ATOM 1123 C CB . LEU A 1 74 ? -20.378 13.804 -22.261 1.0 42.32 ? 74 A 9 +ATOM 1124 C CG . LEU A 1 74 ? -21.085 12.753 -23.118 1.0 13.02 ? 74 A 9 +ATOM 1125 C CD1 . LEU A 1 74 ? -20.424 12.644 -24.483 1.0 50.12 ? 74 A 9 +ATOM 1126 C CD2 . LEU A 1 74 ? -21.086 11.404 -22.414 1.0 22.4 ? 74 A 9 +ATOM 1127 H H . LEU A 1 74 ? -20.744 16.197 -21.078 1.0 53.04 ? 74 A 9 +ATOM 1128 H HA . LEU A 1 74 ? -19.362 15.234 -23.488 1.0 65.43 ? 74 A 9 +ATOM 1129 H HB2 . LEU A 1 74 ? -19.382 13.444 -22.052 1.0 22.02 ? 74 A 9 +ATOM 1130 H HB3 . LEU A 1 74 ? -20.926 13.901 -21.335 1.0 20.31 ? 74 A 9 +ATOM 1131 H HG . LEU A 1 74 ? -22.113 13.053 -23.268 1.0 34.12 ? 74 A 9 +ATOM 1132 H HD11 . LEU A 1 74 ? -19.387 12.932 -24.405 1.0 33.01 ? 74 A 9 +ATOM 1133 H HD12 . LEU A 1 74 ? -20.928 13.298 -25.18 1.0 1.34 ? 74 A 9 +ATOM 1134 H HD13 . LEU A 1 74 ? -20.49 11.625 -24.834 1.0 63.14 ? 74 A 9 +ATOM 1135 H HD21 . LEU A 1 74 ? -20.074 11.138 -22.145 1.0 12.32 ? 74 A 9 +ATOM 1136 H HD22 . LEU A 1 74 ? -21.492 10.653 -23.076 1.0 54.43 ? 74 A 9 +ATOM 1137 H HD23 . LEU A 1 74 ? -21.693 11.463 -21.522 1.0 14.02 ? 74 A 9 +ATOM 1138 N N . VAL A 1 75 ? -21.212 15.742 -25.037 1.0 43.5 ? 75 A 9 +ATOM 1139 C CA . VAL A 1 75 ? -22.282 16.032 -25.984 1.0 52.32 ? 75 A 9 +ATOM 1140 C C . VAL A 1 75 ? -22.448 14.9 -26.991 1.0 61.15 ? 75 A 9 +ATOM 1141 O O . VAL A 1 75 ? -21.483 14.476 -27.629 1.0 54.31 ? 75 A 9 +ATOM 1142 C CB . VAL A 1 75 ? -22.019 17.346 -26.744 1.0 24.5 ? 75 A 9 +ATOM 1143 C CG1 . VAL A 1 75 ? -23.204 17.697 -27.63 1.0 55.3 ? 75 A 9 +ATOM 1144 C CG2 . VAL A 1 75 ? -21.719 18.474 -25.769 1.0 64.14 ? 75 A 9 +ATOM 1145 H H . VAL A 1 75 ? -20.284 15.732 -25.353 1.0 70.11 ? 75 A 9 +ATOM 1146 H HA . VAL A 1 75 ? -23.201 16.142 -25.426 1.0 60.52 ? 75 A 9 +ATOM 1147 H HB . VAL A 1 75 ? -21.154 17.205 -27.376 1.0 44.41 ? 75 A 9 +ATOM 1148 H HG11 . VAL A 1 75 ? -23.629 18.636 -27.307 1.0 31.54 ? 75 A 9 +ATOM 1149 H HG12 . VAL A 1 75 ? -22.874 17.784 -28.655 1.0 61.34 ? 75 A 9 +ATOM 1150 H HG13 . VAL A 1 75 ? -23.951 16.92 -27.557 1.0 54.52 ? 75 A 9 +ATOM 1151 H HG21 . VAL A 1 75 ? -21.787 19.422 -26.282 1.0 5.24 ? 75 A 9 +ATOM 1152 H HG22 . VAL A 1 75 ? -22.434 18.45 -24.96 1.0 61.35 ? 75 A 9 +ATOM 1153 H HG23 . VAL A 1 75 ? -20.722 18.351 -25.371 1.0 24.43 ? 75 A 9 +ATOM 1154 N N . LEU A 1 76 ? -23.676 14.414 -27.129 1.0 35.1 ? 76 A 9 +ATOM 1155 C CA . LEU A 1 76 ? -23.969 13.329 -28.06 1.0 22.53 ? 76 A 9 +ATOM 1156 C C . LEU A 1 76 ? -25.073 13.73 -29.034 1.0 2.14 ? 76 A 9 +ATOM 1157 O O . LEU A 1 76 ? -26.07 14.336 -28.641 1.0 21.5 ? 76 A 9 +ATOM 1158 C CB . LEU A 1 76 ? -24.381 12.071 -27.294 1.0 73.12 ? 76 A 9 +ATOM 1159 C CG . LEU A 1 76 ? -24.311 12.16 -25.769 1.0 64.45 ? 76 A 9 +ATOM 1160 C CD1 . LEU A 1 76 ? -25.526 12.891 -25.221 1.0 24.13 ? 76 A 9 +ATOM 1161 C CD2 . LEU A 1 76 ? -24.202 10.77 -25.159 1.0 22.03 ? 76 A 9 +ATOM 1162 H H . LEU A 1 76 ? -24.404 14.792 -26.594 1.0 44.32 ? 76 A 9 +ATOM 1163 H HA . LEU A 1 76 ? -23.07 13.121 -28.62 1.0 53.04 ? 76 A 9 +ATOM 1164 H HB2 . LEU A 1 76 ? -25.4 11.838 -27.565 1.0 71.31 ? 76 A 9 +ATOM 1165 H HB3 . LEU A 1 76 ? -23.734 11.265 -27.61 1.0 62.14 ? 76 A 9 +ATOM 1166 H HG . LEU A 1 76 ? -23.43 12.72 -25.488 1.0 42.11 ? 76 A 9 +ATOM 1167 H HD11 . LEU A 1 76 ? -25.784 12.486 -24.254 1.0 12.14 ? 76 A 9 +ATOM 1168 H HD12 . LEU A 1 76 ? -26.358 12.766 -25.898 1.0 23.21 ? 76 A 9 +ATOM 1169 H HD13 . LEU A 1 76 ? -25.299 13.943 -25.122 1.0 40.2 ? 76 A 9 +ATOM 1170 H HD21 . LEU A 1 76 ? -23.313 10.714 -24.548 1.0 53.24 ? 76 A 9 +ATOM 1171 H HD22 . LEU A 1 76 ? -24.144 10.035 -25.947 1.0 72.02 ? 76 A 9 +ATOM 1172 H HD23 . LEU A 1 76 ? -25.072 10.576 -24.548 1.0 63.4 ? 76 A 9 +ATOM 1173 N N . ARG A 1 77 ? -24.888 13.387 -30.304 1.0 50.44 ? 77 A 9 +ATOM 1174 C CA . ARG A 1 77 ? -25.868 13.71 -31.333 1.0 12.4 ? 77 A 9 +ATOM 1175 C C . ARG A 1 77 ? -26.539 12.446 -31.862 1.0 10.32 ? 77 A 9 +ATOM 1176 O O . ARG A 1 77 ? -26.292 12.024 -32.992 1.0 12.43 ? 77 A 9 +ATOM 1177 C CB . ARG A 1 77 ? -25.201 14.465 -32.484 1.0 55.35 ? 77 A 9 +ATOM 1178 C CG . ARG A 1 77 ? -24.389 15.669 -32.034 1.0 12.22 ? 77 A 9 +ATOM 1179 C CD . ARG A 1 77 ? -22.934 15.55 -32.458 1.0 60.22 ? 77 A 9 +ATOM 1180 N NE . ARG A 1 77 ? -22.372 16.839 -32.853 1.0 64.33 ? 77 A 9 +ATOM 1181 C CZ . ARG A 1 77 ? -21.288 16.967 -33.61 1.0 13.31 ? 77 A 9 +ATOM 1182 N NH1 . ARG A 1 77 ? -20.654 15.89 -34.053 1.0 63.3 ? 77 A 9 +ATOM 1183 N NH2 . ARG A 1 77 ? -20.837 18.174 -33.927 1.0 70.54 ? 77 A 9 +ATOM 1184 H H . ARG A 1 77 ? -24.072 12.905 -30.555 1.0 2.41 ? 77 A 9 +ATOM 1185 H HA . ARG A 1 77 ? -26.621 14.344 -30.888 1.0 53.23 ? 77 A 9 +ATOM 1186 H HB2 . ARG A 1 77 ? -24.54 13.789 -33.008 1.0 41.04 ? 77 A 9 +ATOM 1187 H HB3 . ARG A 1 77 ? -25.965 14.808 -33.165 1.0 23.23 ? 77 A 9 +ATOM 1188 H HG2 . ARG A 1 77 ? -24.809 16.56 -32.475 1.0 3.21 ? 77 A 9 +ATOM 1189 H HG3 . ARG A 1 77 ? -24.437 15.741 -30.958 1.0 45.32 ? 77 A 9 +ATOM 1190 H HD2 . ARG A 1 77 ? -22.362 15.157 -31.63 1.0 24.22 ? 77 A 9 +ATOM 1191 H HD3 . ARG A 1 77 ? -22.871 14.869 -33.294 1.0 55.12 ? 77 A 9 +ATOM 1192 H HE . ARG A 1 77 ? -22.825 17.647 -32.537 1.0 41.44 ? 77 A 9 +ATOM 1193 H HH11 . ARG A 1 77 ? -20.991 14.979 -33.817 1.0 31.24 ? 77 A 9 +ATOM 1194 H HH12 . ARG A 1 77 ? -19.839 15.989 -34.625 1.0 72.5 ? 77 A 9 +ATOM 1195 H HH21 . ARG A 1 77 ? -21.313 18.988 -33.595 1.0 71.34 ? 77 A 9 +ATOM 1196 H HH22 . ARG A 1 77 ? -20.022 18.269 -34.497 1.0 1.44 ? 77 A 9 +ATOM 1197 N N . LEU A 1 78 ? -27.389 11.845 -31.036 1.0 31.03 ? 78 A 9 +ATOM 1198 C CA . LEU A 1 78 ? -28.096 10.628 -31.42 1.0 51.32 ? 78 A 9 +ATOM 1199 C C . LEU A 1 78 ? -29.222 10.938 -32.401 1.0 14.11 ? 78 A 9 +ATOM 1200 O O . LEU A 1 78 ? -29.411 10.227 -33.389 1.0 12.31 ? 78 A 9 +ATOM 1201 C CB . LEU A 1 78 ? -28.662 9.931 -30.181 1.0 42.51 ? 78 A 9 +ATOM 1202 C CG . LEU A 1 78 ? -27.692 9.032 -29.414 1.0 51.45 ? 78 A 9 +ATOM 1203 C CD1 . LEU A 1 78 ? -26.573 9.856 -28.798 1.0 14.44 ? 78 A 9 +ATOM 1204 C CD2 . LEU A 1 78 ? -28.43 8.244 -28.342 1.0 25.32 ? 78 A 9 +ATOM 1205 H H . LEU A 1 78 ? -27.546 12.227 -30.148 1.0 75.31 ? 78 A 9 +ATOM 1206 H HA . LEU A 1 78 ? -27.387 9.97 -31.9 1.0 64.2 ? 78 A 9 +ATOM 1207 H HB2 . LEU A 1 78 ? -29.011 10.695 -29.503 1.0 61.14 ? 78 A 9 +ATOM 1208 H HB3 . LEU A 1 78 ? -29.499 9.325 -30.497 1.0 62.32 ? 78 A 9 +ATOM 1209 H HG . LEU A 1 78 ? -27.246 8.326 -30.102 1.0 53.42 ? 78 A 9 +ATOM 1210 H HD11 . LEU A 1 78 ? -26.997 10.637 -28.185 1.0 3.24 ? 78 A 9 +ATOM 1211 H HD12 . LEU A 1 78 ? -25.977 10.298 -29.582 1.0 74.14 ? 78 A 9 +ATOM 1212 H HD13 . LEU A 1 78 ? -25.95 9.218 -28.189 1.0 11.41 ? 78 A 9 +ATOM 1213 H HD21 . LEU A 1 78 ? -27.79 8.122 -27.481 1.0 65.32 ? 78 A 9 +ATOM 1214 H HD22 . LEU A 1 78 ? -28.7 7.273 -28.731 1.0 65.43 ? 78 A 9 +ATOM 1215 H HD23 . LEU A 1 78 ? -29.324 8.778 -28.054 1.0 34.04 ? 78 A 9 +ATOM 1216 N N . ARG A 1 79 ? -29.964 12.004 -32.124 1.0 44.5 ? 79 A 9 +ATOM 1217 C CA . ARG A 1 79 ? -31.07 12.41 -32.984 1.0 54.44 ? 79 A 9 +ATOM 1218 C C . ARG A 1 79 ? -30.556 13.113 -34.236 1.0 43.43 ? 79 A 9 +ATOM 1219 O O . ARG A 1 79 ? -30.309 14.318 -34.227 1.0 24.23 ? 79 A 9 +ATOM 1220 C CB . ARG A 1 79 ? -32.024 13.333 -32.223 1.0 53.1 ? 79 A 9 +ATOM 1221 C CG . ARG A 1 79 ? -33.264 12.628 -31.697 1.0 62.42 ? 79 A 9 +ATOM 1222 C CD . ARG A 1 79 ? -32.91 11.588 -30.646 1.0 15.2 ? 79 A 9 +ATOM 1223 N NE . ARG A 1 79 ? -33.266 10.237 -31.072 1.0 22.21 ? 79 A 9 +ATOM 1224 C CZ . ARG A 1 79 ? -34.518 9.801 -31.166 1.0 43.33 ? 79 A 9 +ATOM 1225 N NH1 . ARG A 1 79 ? -35.527 10.607 -30.866 1.0 51.34 ? 79 A 9 +ATOM 1226 N NH2 . ARG A 1 79 ? -34.761 8.558 -31.56 1.0 24.34 ? 79 A 9 +ATOM 1227 H H . ARG A 1 79 ? -29.765 12.531 -31.323 1.0 30.43 ? 79 A 9 +ATOM 1228 H HA . ARG A 1 79 ? -31.605 11.519 -33.279 1.0 75.12 ? 79 A 9 +ATOM 1229 H HB2 . ARG A 1 79 ? -31.498 13.761 -31.382 1.0 72.51 ? 79 A 9 +ATOM 1230 H HB3 . ARG A 1 79 ? -32.34 14.127 -32.882 1.0 62.3 ? 79 A 9 +ATOM 1231 H HG2 . ARG A 1 79 ? -33.923 13.36 -31.255 1.0 34.21 ? 79 A 9 +ATOM 1232 H HG3 . ARG A 1 79 ? -33.765 12.14 -32.52 1.0 51.44 ? 79 A 9 +ATOM 1233 H HD2 . ARG A 1 79 ? -31.847 11.628 -30.462 1.0 21.42 ? 79 A 9 +ATOM 1234 H HD3 . ARG A 1 79 ? -33.442 11.82 -29.736 1.0 24.22 ? 79 A 9 +ATOM 1235 H HE . ARG A 1 79 ? -32.535 9.625 -31.298 1.0 63.2 ? 79 A 9 +ATOM 1236 H HH11 . ARG A 1 79 ? -35.347 11.544 -30.57 1.0 0.03 ? 79 A 9 +ATOM 1237 H HH12 . ARG A 1 79 ? -36.469 10.277 -30.939 1.0 54.33 ? 79 A 9 +ATOM 1238 H HH21 . ARG A 1 79 ? -34.003 7.948 -31.787 1.0 72.3 ? 79 A 9 +ATOM 1239 H HH22 . ARG A 1 79 ? -35.703 8.232 -31.631 1.0 2.44 ? 79 A 9 +ATOM 1240 N N . GLY A 1 80 ? -30.396 12.35 -35.314 1.0 11.03 ? 80 A 9 +ATOM 1241 C CA . GLY A 1 80 ? -29.912 12.917 -36.559 1.0 3.12 ? 80 A 9 +ATOM 1242 C C . GLY A 1 80 ? -29.827 11.889 -37.67 1.0 52.34 ? 80 A 9 +ATOM 1243 O O . GLY A 1 80 ? -28.955 11.969 -38.533 1.0 43.44 ? 80 A 9 +ATOM 1244 H H . GLY A 1 80 ? -30.609 11.395 -35.263 1.0 0.24 ? 80 A 9 +ATOM 1245 H HA2 . GLY A 1 80 ? -30.579 13.709 -36.865 1.0 71.24 ? 80 A 9 +ATOM 1246 H HA3 . GLY A 1 80 ? -28.929 13.333 -36.393 1.0 43.14 ? 80 A 9 +ATOM 1247 N N . GLY A 1 81 ? -30.735 10.919 -37.647 1.0 43.34 ? 81 A 9 +ATOM 1248 C CA . GLY A 1 81 ? -30.741 9.884 -38.664 1.0 20.2 ? 81 A 9 +ATOM 1249 C C . GLY A 1 81 ? -30.906 8.496 -38.077 1.0 63.23 ? 81 A 9 +ATOM 1250 O O . GLY A 1 81 ? -31.912 8.202 -37.431 1.0 30.24 ? 81 A 9 +ATOM 1251 H H . GLY A 1 81 ? -31.407 10.906 -36.933 1.0 11.33 ? 81 A 9 +ATOM 1252 H HA2 . GLY A 1 81 ? -31.553 10.072 -39.35 1.0 30.51 ? 81 A 9 +ATOM 1253 H HA3 . GLY A 1 81 ? -29.807 9.923 -39.207 1.0 55.14 ? 81 A 9 +ATOM 1254 N N . VAL A 1 82 ? -29.916 7.637 -38.304 1.0 30.52 ? 82 A 9 +ATOM 1255 C CA . VAL A 1 82 ? -29.956 6.272 -37.794 1.0 4.45 ? 82 A 9 +ATOM 1256 C C . VAL A 1 82 ? -28.726 5.965 -36.947 1.0 63.52 ? 82 A 9 +ATOM 1257 O O . VAL A 1 82 ? -28.672 6.306 -35.766 1.0 12.52 ? 82 A 9 +ATOM 1258 C CB . VAL A 1 82 ? -30.046 5.247 -38.94 1.0 53.54 ? 82 A 9 +ATOM 1259 C CG1 . VAL A 1 82 ? -28.829 5.352 -39.847 1.0 33.31 ? 82 A 9 +ATOM 1260 C CG2 . VAL A 1 82 ? -30.187 3.838 -38.384 1.0 1.13 ? 82 A 9 +ATOM 1261 H H . VAL A 1 82 ? -29.14 7.93 -38.826 1.0 42.11 ? 82 A 9 +ATOM 1262 H HA . VAL A 1 82 ? -30.839 6.171 -37.179 1.0 65.12 ? 82 A 9 +ATOM 1263 H HB . VAL A 1 82 ? -30.925 5.47 -39.527 1.0 3.02 ? 82 A 9 +ATOM 1264 H HG11 . VAL A 1 82 ? -28.729 6.369 -40.197 1.0 71.54 ? 82 A 9 +ATOM 1265 H HG12 . VAL A 1 82 ? -27.944 5.071 -39.295 1.0 43.52 ? 82 A 9 +ATOM 1266 H HG13 . VAL A 1 82 ? -28.952 4.691 -40.692 1.0 60.31 ? 82 A 9 +ATOM 1267 H HG21 . VAL A 1 82 ? -31.144 3.43 -38.675 1.0 51.1 ? 82 A 9 +ATOM 1268 H HG22 . VAL A 1 82 ? -29.396 3.216 -38.776 1.0 43.42 ? 82 A 9 +ATOM 1269 H HG23 . VAL A 1 82 ? -30.121 3.867 -37.306 1.0 61.21 ? 82 A 9 +ATOM 1 N N . GLY A 1 1 ? -9.315 -3.394 -3.453 1.0 13.0 ? 1 A 10 +ATOM 2 C CA . GLY A 1 1 ? -8.883 -2.262 -2.652 1.0 45.03 ? 1 A 10 +ATOM 3 C C . GLY A 1 1 ? -7.565 -1.684 -3.129 1.0 65.21 ? 1 A 10 +ATOM 4 O O . GLY A 1 1 ? -6.539 -1.786 -2.456 1.0 33.34 ? 1 A 10 +ATOM 5 H H1 . GLY A 1 1 ? -9.316 -4.294 -3.065 1.0 52.4 ? 1 A 10 +ATOM 6 H HA2 . GLY A 1 1 ? -9.64 -1.493 -2.699 1.0 14.15 ? 1 A 10 +ATOM 7 H HA3 . GLY A 1 1 ? -8.773 -2.583 -1.627 1.0 34.23 ? 1 A 10 +ATOM 8 N N . PRO A 1 2 ? -7.582 -1.062 -4.317 1.0 55.32 ? 2 A 10 +ATOM 9 C CA . PRO A 1 2 ? -6.387 -0.454 -4.909 1.0 21.43 ? 2 A 10 +ATOM 10 C C . PRO A 1 2 ? -5.934 0.79 -4.154 1.0 41.45 ? 2 A 10 +ATOM 11 O O . PRO A 1 2 ? -6.508 1.147 -3.124 1.0 62.42 ? 2 A 10 +ATOM 12 C CB . PRO A 1 2 ? -6.841 -0.086 -6.324 1.0 51.45 ? 2 A 10 +ATOM 13 C CG . PRO A 1 2 ? -8.318 0.08 -6.217 1.0 43.11 ? 2 A 10 +ATOM 14 C CD . PRO A 1 2 ? -8.77 -0.903 -5.173 1.0 64.14 ? 2 A 10 +ATOM 15 H HA . PRO A 1 2 ? -5.57 -1.158 -4.964 1.0 31.54 ? 2 A 10 +ATOM 16 H HB2 . PRO A 1 2 ? -6.361 0.833 -6.631 1.0 42.4 ? 2 A 10 +ATOM 17 H HB3 . PRO A 1 2 ? -6.581 -0.88 -7.008 1.0 62.54 ? 2 A 10 +ATOM 18 H HG2 . PRO A 1 2 ? -8.553 1.088 -5.91 1.0 3.22 ? 2 A 10 +ATOM 19 H HG3 . PRO A 1 2 ? -8.781 -0.143 -7.167 1.0 51.14 ? 2 A 10 +ATOM 20 H HD2 . PRO A 1 2 ? -9.6 -0.501 -4.61 1.0 11.0 ? 2 A 10 +ATOM 21 H HD3 . PRO A 1 2 ? -9.042 -1.842 -5.631 1.0 24.12 ? 2 A 10 +ATOM 22 N N . LEU A 1 3 ? -4.902 1.448 -4.671 1.0 34.12 ? 3 A 10 +ATOM 23 C CA . LEU A 1 3 ? -4.372 2.654 -4.045 1.0 54.03 ? 3 A 10 +ATOM 24 C C . LEU A 1 3 ? -4.382 3.824 -5.023 1.0 63.21 ? 3 A 10 +ATOM 25 O O . LEU A 1 3 ? -5.097 4.806 -4.825 1.0 11.24 ? 3 A 10 +ATOM 26 C CB . LEU A 1 3 ? -2.949 2.408 -3.541 1.0 60.12 ? 3 A 10 +ATOM 27 C CG . LEU A 1 3 ? -2.813 2.049 -2.061 1.0 64.13 ? 3 A 10 +ATOM 28 C CD1 . LEU A 1 3 ? -1.495 1.336 -1.802 1.0 62.25 ? 3 A 10 +ATOM 29 C CD2 . LEU A 1 3 ? -2.925 3.298 -1.197 1.0 0.12 ? 3 A 10 +ATOM 30 H H . LEU A 1 3 ? -4.486 1.115 -5.493 1.0 52.35 ? 3 A 10 +ATOM 31 H HA . LEU A 1 3 ? -5.006 2.897 -3.205 1.0 43.13 ? 3 A 10 +ATOM 32 H HB2 . LEU A 1 3 ? -2.53 1.597 -4.117 1.0 74.24 ? 3 A 10 +ATOM 33 H HB3 . LEU A 1 3 ? -2.376 3.307 -3.719 1.0 72.41 ? 3 A 10 +ATOM 34 H HG . LEU A 1 3 ? -3.615 1.378 -1.784 1.0 43.5 ? 3 A 10 +ATOM 35 H HD11 . LEU A 1 3 ? -1.625 0.615 -1.01 1.0 50.45 ? 3 A 10 +ATOM 36 H HD12 . LEU A 1 3 ? -0.746 2.058 -1.513 1.0 4.34 ? 3 A 10 +ATOM 37 H HD13 . LEU A 1 3 ? -1.178 0.83 -2.702 1.0 54.42 ? 3 A 10 +ATOM 38 H HD21 . LEU A 1 3 ? -3.668 3.96 -1.616 1.0 23.33 ? 3 A 10 +ATOM 39 H HD22 . LEU A 1 3 ? -1.969 3.8 -1.168 1.0 1.01 ? 3 A 10 +ATOM 40 H HD23 . LEU A 1 3 ? -3.215 3.017 -0.195 1.0 75.24 ? 3 A 10 +ATOM 41 N N . GLY A 1 4 ? -3.584 3.712 -6.081 1.0 4.21 ? 4 A 10 +ATOM 42 C CA . GLY A 1 4 ? -3.518 4.767 -7.075 1.0 43.34 ? 4 A 10 +ATOM 43 C C . GLY A 1 4 ? -4.793 4.878 -7.888 1.0 32.24 ? 4 A 10 +ATOM 44 O O . GLY A 1 4 ? -5.893 4.755 -7.349 1.0 73.31 ? 4 A 10 +ATOM 45 H H . GLY A 1 4 ? -3.036 2.906 -6.187 1.0 2.13 ? 4 A 10 +ATOM 46 H HA2 . GLY A 1 4 ? -3.338 5.707 -6.576 1.0 53.5 ? 4 A 10 +ATOM 47 H HA3 . GLY A 1 4 ? -2.695 4.563 -7.745 1.0 61.41 ? 4 A 10 +ATOM 48 N N . SER A 1 5 ? -4.646 5.114 -9.188 1.0 14.33 ? 5 A 10 +ATOM 49 C CA . SER A 1 5 ? -5.795 5.248 -10.075 1.0 12.42 ? 5 A 10 +ATOM 50 C C . SER A 1 5 ? -6.66 6.437 -9.667 1.0 43.22 ? 5 A 10 +ATOM 51 O O . SER A 1 5 ? -6.508 6.984 -8.576 1.0 33.52 ? 5 A 10 +ATOM 52 C CB . SER A 1 5 ? -6.629 3.966 -10.061 1.0 72.02 ? 5 A 10 +ATOM 53 O OG . SER A 1 5 ? -5.802 2.82 -9.96 1.0 21.35 ? 5 A 10 +ATOM 54 H H . SER A 1 5 ? -3.742 5.203 -9.558 1.0 31.12 ? 5 A 10 +ATOM 55 H HA . SER A 1 5 ? -5.423 5.415 -11.075 1.0 12.32 ? 5 A 10 +ATOM 56 H HB2 . SER A 1 5 ? -7.301 3.986 -9.216 1.0 41.01 ? 5 A 10 +ATOM 57 H HB3 . SER A 1 5 ? -7.202 3.903 -10.975 1.0 74.13 ? 5 A 10 +ATOM 58 H HG . SER A 1 5 ? -5.546 2.531 -10.839 1.0 33.45 ? 5 A 10 +ATOM 59 N N . MET A 1 6 ? -7.569 6.83 -10.553 1.0 14.01 ? 6 A 10 +ATOM 60 C CA . MET A 1 6 ? -8.461 7.953 -10.286 1.0 54.33 ? 6 A 10 +ATOM 61 C C . MET A 1 6 ? -9.804 7.758 -10.981 1.0 31.44 ? 6 A 10 +ATOM 62 O O . MET A 1 6 ? -10.057 6.713 -11.58 1.0 1.11 ? 6 A 10 +ATOM 63 C CB . MET A 1 6 ? -7.819 9.263 -10.749 1.0 70.21 ? 6 A 10 +ATOM 64 C CG . MET A 1 6 ? -7.173 9.171 -12.121 1.0 25.05 ? 6 A 10 +ATOM 65 S SD . MET A 1 6 ? -5.423 8.742 -12.037 1.0 3.44 ? 6 A 10 +ATOM 66 C CE . MET A 1 6 ? -4.7 10.341 -11.675 1.0 13.21 ? 6 A 10 +ATOM 67 H H . MET A 1 6 ? -7.644 6.354 -11.407 1.0 2.32 ? 6 A 10 +ATOM 68 H HA . MET A 1 6 ? -8.624 7.999 -9.22 1.0 5.22 ? 6 A 10 +ATOM 69 H HB2 . MET A 1 6 ? -8.579 10.029 -10.783 1.0 62.43 ? 6 A 10 +ATOM 70 H HB3 . MET A 1 6 ? -7.061 9.55 -10.036 1.0 63.34 ? 6 A 10 +ATOM 71 H HG2 . MET A 1 6 ? -7.686 8.415 -12.697 1.0 33.13 ? 6 A 10 +ATOM 72 H HG3 . MET A 1 6 ? -7.272 10.126 -12.615 1.0 12.41 ? 6 A 10 +ATOM 73 H HE1 . MET A 1 6 ? -5.425 10.955 -11.161 1.0 12.23 ? 6 A 10 +ATOM 74 H HE2 . MET A 1 6 ? -3.831 10.209 -11.048 1.0 52.54 ? 6 A 10 +ATOM 75 H HE3 . MET A 1 6 ? -4.409 10.821 -12.598 1.0 2.41 ? 6 A 10 +ATOM 76 N N . GLN A 1 7 ? -10.662 8.77 -10.897 1.0 13.12 ? 7 A 10 +ATOM 77 C CA . GLN A 1 7 ? -11.979 8.708 -11.518 1.0 13.2 ? 7 A 10 +ATOM 78 C C . GLN A 1 7 ? -12.339 10.04 -12.168 1.0 42.42 ? 7 A 10 +ATOM 79 O O . GLN A 1 7 ? -11.798 11.085 -11.804 1.0 71.33 ? 7 A 10 +ATOM 80 C CB . GLN A 1 7 ? -13.038 8.331 -10.48 1.0 42.01 ? 7 A 10 +ATOM 81 C CG . GLN A 1 7 ? -12.595 7.229 -9.532 1.0 12.34 ? 7 A 10 +ATOM 82 C CD . GLN A 1 7 ? -12.064 7.768 -8.218 1.0 44.31 ? 7 A 10 +ATOM 83 O OE1 . GLN A 1 7 ? -11.95 8.98 -8.032 1.0 33.44 ? 7 A 10 +ATOM 84 N NE2 . GLN A 1 7 ? -11.737 6.868 -7.298 1.0 73.32 ? 7 A 10 +ATOM 85 H H . GLN A 1 7 ? -10.402 9.577 -10.407 1.0 71.21 ? 7 A 10 +ATOM 86 H HA . GLN A 1 7 ? -11.95 7.946 -12.282 1.0 62.03 ? 7 A 10 +ATOM 87 H HB2 . GLN A 1 7 ? -13.278 9.206 -9.895 1.0 13.25 ? 7 A 10 +ATOM 88 H HB3 . GLN A 1 7 ? -13.927 7.997 -10.995 1.0 41.42 ? 7 A 10 +ATOM 89 H HG2 . GLN A 1 7 ? -13.44 6.588 -9.325 1.0 43.33 ? 7 A 10 +ATOM 90 H HG3 . GLN A 1 7 ? -11.816 6.653 -10.009 1.0 33.21 ? 7 A 10 +ATOM 91 H HE21 . GLN A 1 7 ? -11.853 5.919 -7.517 1.0 52.01 ? 7 A 10 +ATOM 92 H HE22 . GLN A 1 7 ? -11.391 7.188 -6.44 1.0 55.43 ? 7 A 10 +ATOM 93 N N . ILE A 1 8 ? -13.253 9.996 -13.13 1.0 12.12 ? 8 A 10 +ATOM 94 C CA . ILE A 1 8 ? -13.685 11.2 -13.83 1.0 64.2 ? 8 A 10 +ATOM 95 C C . ILE A 1 8 ? -15.205 11.314 -13.841 1.0 0.33 ? 8 A 10 +ATOM 96 O O . ILE A 1 8 ? -15.915 10.316 -13.71 1.0 11.35 ? 8 A 10 +ATOM 97 C CB . ILE A 1 8 ? -13.169 11.224 -15.28 1.0 65.34 ? 8 A 10 +ATOM 98 C CG1 . ILE A 1 8 ? -12.348 9.966 -15.573 1.0 72.33 ? 8 A 10 +ATOM 99 C CG2 . ILE A 1 8 ? -12.338 12.474 -15.527 1.0 55.24 ? 8 A 10 +ATOM 100 C CD1 . ILE A 1 8 ? -11.971 9.817 -17.031 1.0 11.02 ? 8 A 10 +ATOM 101 H H . ILE A 1 8 ? -13.648 9.134 -13.375 1.0 43.45 ? 8 A 10 +ATOM 102 H HA . ILE A 1 8 ? -13.274 12.053 -13.308 1.0 41.41 ? 8 A 10 +ATOM 103 H HB . ILE A 1 8 ? -14.021 11.251 -15.942 1.0 13.24 ? 8 A 10 +ATOM 104 H HG12 . ILE A 1 8 ? -11.437 9.996 -14.997 1.0 4.11 ? 8 A 10 +ATOM 105 H HG13 . ILE A 1 8 ? -12.921 9.096 -15.287 1.0 33.41 ? 8 A 10 +ATOM 106 H HG21 . ILE A 1 8 ? -11.743 12.689 -14.651 1.0 12.11 ? 8 A 10 +ATOM 107 H HG22 . ILE A 1 8 ? -11.687 12.313 -16.373 1.0 14.43 ? 8 A 10 +ATOM 108 H HG23 . ILE A 1 8 ? -12.993 13.308 -15.73 1.0 53.13 ? 8 A 10 +ATOM 109 H HD11 . ILE A 1 8 ? -12.197 10.734 -17.557 1.0 4.51 ? 8 A 10 +ATOM 110 H HD12 . ILE A 1 8 ? -10.914 9.608 -17.11 1.0 22.53 ? 8 A 10 +ATOM 111 H HD13 . ILE A 1 8 ? -12.533 9.005 -17.467 1.0 32.23 ? 8 A 10 +ATOM 112 N N . PHE A 1 9 ? -15.7 12.537 -14.0 1.0 44.42 ? 9 A 10 +ATOM 113 C CA . PHE A 1 9 ? -17.137 12.783 -14.03 1.0 45.42 ? 9 A 10 +ATOM 114 C C . PHE A 1 9 ? -17.595 13.168 -15.433 1.0 62.05 ? 9 A 10 +ATOM 115 O O . PHE A 1 9 ? -17.069 14.105 -16.034 1.0 33.13 ? 9 A 10 +ATOM 116 C CB . PHE A 1 9 ? -17.508 13.888 -13.039 1.0 42.3 ? 9 A 10 +ATOM 117 C CG . PHE A 1 9 ? -18.202 13.382 -11.807 1.0 44.44 ? 9 A 10 +ATOM 118 C CD1 . PHE A 1 9 ? -19.457 12.8 -11.893 1.0 24.21 ? 9 A 10 +ATOM 119 C CD2 . PHE A 1 9 ? -17.601 13.488 -10.564 1.0 24.11 ? 9 A 10 +ATOM 120 C CE1 . PHE A 1 9 ? -20.099 12.332 -10.762 1.0 54.33 ? 9 A 10 +ATOM 121 C CE2 . PHE A 1 9 ? -18.237 13.021 -9.429 1.0 62.43 ? 9 A 10 +ATOM 122 C CZ . PHE A 1 9 ? -19.488 12.444 -9.528 1.0 72.21 ? 9 A 10 +ATOM 123 H H . PHE A 1 9 ? -15.084 13.293 -14.099 1.0 15.35 ? 9 A 10 +ATOM 124 H HA . PHE A 1 9 ? -17.635 11.87 -13.74 1.0 72.15 ? 9 A 10 +ATOM 125 H HB2 . PHE A 1 9 ? -16.609 14.398 -12.726 1.0 13.22 ? 9 A 10 +ATOM 126 H HB3 . PHE A 1 9 ? -18.165 14.593 -13.526 1.0 20.44 ? 9 A 10 +ATOM 127 H HD1 . PHE A 1 9 ? -19.936 12.712 -12.858 1.0 63.23 ? 9 A 10 +ATOM 128 H HD2 . PHE A 1 9 ? -16.623 13.94 -10.484 1.0 43.5 ? 9 A 10 +ATOM 129 H HE1 . PHE A 1 9 ? -21.077 11.881 -10.843 1.0 53.21 ? 9 A 10 +ATOM 130 H HE2 . PHE A 1 9 ? -17.758 13.11 -8.465 1.0 61.25 ? 9 A 10 +ATOM 131 H HZ . PHE A 1 9 ? -19.988 12.079 -8.643 1.0 11.33 ? 9 A 10 +ATOM 132 N N . VAL A 1 10 ? -18.577 12.437 -15.951 1.0 35.51 ? 10 A 10 +ATOM 133 C CA . VAL A 1 10 ? -19.106 12.701 -17.284 1.0 51.35 ? 10 A 10 +ATOM 134 C C . VAL A 1 10 ? -20.576 13.1 -17.222 1.0 20.3 ? 10 A 10 +ATOM 135 O O . VAL A 1 10 ? -21.378 12.457 -16.544 1.0 33.54 ? 10 A 10 +ATOM 136 C CB . VAL A 1 10 ? -18.957 11.473 -18.2 1.0 1.24 ? 10 A 10 +ATOM 137 C CG1 . VAL A 1 10 ? -19.085 11.878 -19.661 1.0 43.55 ? 10 A 10 +ATOM 138 C CG2 . VAL A 1 10 ? -17.629 10.776 -17.946 1.0 70.41 ? 10 A 10 +ATOM 139 H H . VAL A 1 10 ? -18.955 11.703 -15.423 1.0 13.11 ? 10 A 10 +ATOM 140 H HA . VAL A 1 10 ? -18.54 13.515 -17.712 1.0 52.2 ? 10 A 10 +ATOM 141 H HB . VAL A 1 10 ? -19.753 10.779 -17.971 1.0 21.21 ? 10 A 10 +ATOM 142 H HG11 . VAL A 1 10 ? -20.117 12.11 -19.881 1.0 75.22 ? 10 A 10 +ATOM 143 H HG12 . VAL A 1 10 ? -18.472 12.746 -19.849 1.0 54.41 ? 10 A 10 +ATOM 144 H HG13 . VAL A 1 10 ? -18.759 11.062 -20.29 1.0 61.31 ? 10 A 10 +ATOM 145 H HG21 . VAL A 1 10 ? -17.43 10.077 -18.744 1.0 13.24 ? 10 A 10 +ATOM 146 H HG22 . VAL A 1 10 ? -16.84 11.512 -17.906 1.0 62.44 ? 10 A 10 +ATOM 147 H HG23 . VAL A 1 10 ? -17.674 10.246 -17.006 1.0 2.35 ? 10 A 10 +ATOM 148 N N . LYS A 1 11 ? -20.924 14.166 -17.935 1.0 23.3 ? 11 A 10 +ATOM 149 C CA . LYS A 1 11 ? -22.299 14.652 -17.964 1.0 10.31 ? 11 A 10 +ATOM 150 C C . LYS A 1 11 ? -22.936 14.401 -19.327 1.0 22.12 ? 11 A 10 +ATOM 151 O O . LYS A 1 11 ? -22.538 14.996 -20.329 1.0 63.21 ? 11 A 10 +ATOM 152 C CB . LYS A 1 11 ? -22.34 16.147 -17.636 1.0 34.41 ? 11 A 10 +ATOM 153 C CG . LYS A 1 11 ? -23.686 16.793 -17.916 1.0 63.11 ? 11 A 10 +ATOM 154 C CD . LYS A 1 11 ? -23.636 18.298 -17.708 1.0 3.15 ? 11 A 10 +ATOM 155 C CE . LYS A 1 11 ? -23.242 19.024 -18.985 1.0 2.52 ? 11 A 10 +ATOM 156 N NZ . LYS A 1 11 ? -23.426 20.497 -18.865 1.0 51.12 ? 11 A 10 +ATOM 157 H H . LYS A 1 11 ? -20.24 14.638 -18.455 1.0 4.15 ? 11 A 10 +ATOM 158 H HA . LYS A 1 11 ? -22.857 14.113 -17.214 1.0 44.21 ? 11 A 10 +ATOM 159 H HB2 . LYS A 1 11 ? -22.11 16.28 -16.59 1.0 75.01 ? 11 A 10 +ATOM 160 H HB3 . LYS A 1 11 ? -21.591 16.653 -18.228 1.0 15.43 ? 11 A 10 +ATOM 161 H HG2 . LYS A 1 11 ? -23.967 16.591 -18.939 1.0 73.24 ? 11 A 10 +ATOM 162 H HG3 . LYS A 1 11 ? -24.423 16.371 -17.248 1.0 30.03 ? 11 A 10 +ATOM 163 H HD2 . LYS A 1 11 ? -24.61 18.643 -17.397 1.0 63.51 ? 11 A 10 +ATOM 164 H HD3 . LYS A 1 11 ? -22.91 18.522 -16.939 1.0 61.22 ? 11 A 10 +ATOM 165 H HE2 . LYS A 1 11 ? -22.205 18.816 -19.197 1.0 70.24 ? 11 A 10 +ATOM 166 H HE3 . LYS A 1 11 ? -23.855 18.658 -19.795 1.0 3.13 ? 11 A 10 +ATOM 167 H HZ1 . LYS A 1 11 ? -24.231 20.805 -19.447 1.0 1.34 ? 11 A 10 +ATOM 168 H HZ2 . LYS A 1 11 ? -22.57 20.991 -19.187 1.0 61.44 ? 11 A 10 +ATOM 169 H HZ3 . LYS A 1 11 ? -23.61 20.754 -17.875 1.0 12.11 ? 11 A 10 +ATOM 170 N N . THR A 1 12 ? -23.929 13.518 -19.357 1.0 60.33 ? 12 A 10 +ATOM 171 C CA . THR A 1 12 ? -24.622 13.19 -20.597 1.0 63.11 ? 12 A 10 +ATOM 172 C C . THR A 1 12 ? -25.542 14.325 -21.03 1.0 63.2 ? 12 A 10 +ATOM 173 O O . THR A 1 12 ? -25.902 15.187 -20.227 1.0 23.14 ? 12 A 10 +ATOM 174 C CB . THR A 1 12 ? -25.45 11.899 -20.452 1.0 13.53 ? 12 A 10 +ATOM 175 O OG1 . THR A 1 12 ? -26.491 12.09 -19.488 1.0 44.22 ? 12 A 10 +ATOM 176 C CG2 . THR A 1 12 ? -24.567 10.734 -20.03 1.0 44.25 ? 12 A 10 +ATOM 177 H H . THR A 1 12 ? -24.201 13.078 -18.525 1.0 50.31 ? 12 A 10 +ATOM 178 H HA . THR A 1 12 ? -23.877 13.031 -21.363 1.0 15.31 ? 12 A 10 +ATOM 179 H HB . THR A 1 12 ? -25.895 11.666 -21.409 1.0 3.11 ? 12 A 10 +ATOM 180 H HG1 . THR A 1 12 ? -26.891 11.243 -19.277 1.0 54.01 ? 12 A 10 +ATOM 181 H HG21 . THR A 1 12 ? -24.787 10.469 -19.007 1.0 54.24 ? 12 A 10 +ATOM 182 H HG22 . THR A 1 12 ? -23.529 11.021 -20.112 1.0 51.32 ? 12 A 10 +ATOM 183 H HG23 . THR A 1 12 ? -24.759 9.886 -20.671 1.0 74.05 ? 12 A 10 +ATOM 184 N N . LEU A 1 13 ? -25.922 14.319 -22.303 1.0 74.21 ? 13 A 10 +ATOM 185 C CA . LEU A 1 13 ? -26.803 15.349 -22.844 1.0 74.52 ? 13 A 10 +ATOM 186 C C . LEU A 1 13 ? -28.134 15.372 -22.099 1.0 25.21 ? 13 A 10 +ATOM 187 O O . LEU A 1 13 ? -28.872 16.357 -22.154 1.0 11.35 ? 13 A 10 +ATOM 188 C CB . LEU A 1 13 ? -27.043 15.111 -24.335 1.0 31.51 ? 13 A 10 +ATOM 189 C CG . LEU A 1 13 ? -27.715 16.253 -25.098 1.0 30.32 ? 13 A 10 +ATOM 190 C CD1 . LEU A 1 13 ? -26.675 17.24 -25.606 1.0 44.31 ? 13 A 10 +ATOM 191 C CD2 . LEU A 1 13 ? -28.545 15.709 -26.251 1.0 64.01 ? 13 A 10 +ATOM 192 H H . LEU A 1 13 ? -25.603 13.606 -22.894 1.0 42.02 ? 13 A 10 +ATOM 193 H HA . LEU A 1 13 ? -26.315 16.303 -22.714 1.0 34.1 ? 13 A 10 +ATOM 194 H HB2 . LEU A 1 13 ? -26.087 14.921 -24.798 1.0 62.11 ? 13 A 10 +ATOM 195 H HB3 . LEU A 1 13 ? -27.668 14.234 -24.432 1.0 43.21 ? 13 A 10 +ATOM 196 H HG . LEU A 1 13 ? -28.378 16.784 -24.428 1.0 45.4 ? 13 A 10 +ATOM 197 H HD11 . LEU A 1 13 ? -26.05 17.558 -24.785 1.0 62.23 ? 13 A 10 +ATOM 198 H HD12 . LEU A 1 13 ? -27.171 18.097 -26.035 1.0 23.44 ? 13 A 10 +ATOM 199 H HD13 . LEU A 1 13 ? -26.065 16.763 -26.359 1.0 25.55 ? 13 A 10 +ATOM 200 H HD21 . LEU A 1 13 ? -29.275 16.447 -26.549 1.0 62.14 ? 13 A 10 +ATOM 201 H HD22 . LEU A 1 13 ? -29.05 14.808 -25.937 1.0 41.34 ? 13 A 10 +ATOM 202 H HD23 . LEU A 1 13 ? -27.897 15.485 -27.087 1.0 51.42 ? 13 A 10 +ATOM 203 N N . THR A 1 14 ? -28.435 14.282 -21.401 1.0 31.41 ? 14 A 10 +ATOM 204 C CA . THR A 1 14 ? -29.676 14.177 -20.644 1.0 30.33 ? 14 A 10 +ATOM 205 C C . THR A 1 14 ? -29.525 14.782 -19.253 1.0 22.13 ? 14 A 10 +ATOM 206 O O . THR A 1 14 ? -30.444 14.725 -18.438 1.0 5.31 ? 14 A 10 +ATOM 207 C CB . THR A 1 14 ? -30.129 12.711 -20.508 1.0 34.54 ? 14 A 10 +ATOM 208 O OG1 . THR A 1 14 ? -29.123 11.949 -19.831 1.0 3.22 ? 14 A 10 +ATOM 209 C CG2 . THR A 1 14 ? -30.403 12.1 -21.874 1.0 34.11 ? 14 A 10 +ATOM 210 H H . THR A 1 14 ? -27.806 13.53 -21.396 1.0 2.31 ? 14 A 10 +ATOM 211 H HA . THR A 1 14 ? -30.441 14.72 -21.181 1.0 25.44 ? 14 A 10 +ATOM 212 H HB . THR A 1 14 ? -31.041 12.685 -19.928 1.0 55.24 ? 14 A 10 +ATOM 213 H HG1 . THR A 1 14 ? -29.446 11.058 -19.678 1.0 24.42 ? 14 A 10 +ATOM 214 H HG21 . THR A 1 14 ? -29.681 12.471 -22.585 1.0 1.02 ? 14 A 10 +ATOM 215 H HG22 . THR A 1 14 ? -31.398 12.371 -22.196 1.0 12.23 ? 14 A 10 +ATOM 216 H HG23 . THR A 1 14 ? -30.326 11.025 -21.809 1.0 12.42 ? 14 A 10 +ATOM 217 N N . GLY A 1 15 ? -28.359 15.364 -18.989 1.0 61.2 ? 15 A 10 +ATOM 218 C CA . GLY A 1 15 ? -28.109 15.972 -17.695 1.0 25.44 ? 15 A 10 +ATOM 219 C C . GLY A 1 15 ? -27.949 14.944 -16.593 1.0 2.34 ? 15 A 10 +ATOM 220 O O . GLY A 1 15 ? -28.644 14.998 -15.578 1.0 24.03 ? 15 A 10 +ATOM 221 H H . GLY A 1 15 ? -27.662 15.379 -19.679 1.0 73.22 ? 15 A 10 +ATOM 222 H HA2 . GLY A 1 15 ? -27.207 16.563 -17.756 1.0 10.15 ? 15 A 10 +ATOM 223 H HA3 . GLY A 1 15 ? -28.937 16.62 -17.45 1.0 23.53 ? 15 A 10 +ATOM 224 N N . LYS A 1 16 ? -27.032 14.003 -16.791 1.0 11.21 ? 16 A 10 +ATOM 225 C CA . LYS A 1 16 ? -26.783 12.957 -15.807 1.0 34.13 ? 16 A 10 +ATOM 226 C C . LYS A 1 16 ? -25.299 12.878 -15.461 1.0 15.24 ? 16 A 10 +ATOM 227 O O . LYS A 1 16 ? -24.451 12.745 -16.344 1.0 50.04 ? 16 A 10 +ATOM 228 C CB . LYS A 1 16 ? -27.268 11.605 -16.335 1.0 31.42 ? 16 A 10 +ATOM 229 C CG . LYS A 1 16 ? -27.696 10.643 -15.24 1.0 73.35 ? 16 A 10 +ATOM 230 C CD . LYS A 1 16 ? -26.505 9.911 -14.644 1.0 50.3 ? 16 A 10 +ATOM 231 C CE . LYS A 1 16 ? -25.919 8.908 -15.625 1.0 52.44 ? 16 A 10 +ATOM 232 N NZ . LYS A 1 16 ? -26.238 7.505 -15.241 1.0 2.53 ? 16 A 10 +ATOM 233 H H . LYS A 1 16 ? -26.51 14.013 -17.621 1.0 52.54 ? 16 A 10 +ATOM 234 H HA . LYS A 1 16 ? -27.336 13.204 -14.913 1.0 34.34 ? 16 A 10 +ATOM 235 H HB2 . LYS A 1 16 ? -28.11 11.769 -16.991 1.0 44.24 ? 16 A 10 +ATOM 236 H HB3 . LYS A 1 16 ? -26.468 11.144 -16.897 1.0 12.13 ? 16 A 10 +ATOM 237 H HG2 . LYS A 1 16 ? -28.192 11.198 -14.458 1.0 3.41 ? 16 A 10 +ATOM 238 H HG3 . LYS A 1 16 ? -28.38 9.918 -15.659 1.0 74.14 ? 16 A 10 +ATOM 239 H HD2 . LYS A 1 16 ? -25.744 10.631 -14.385 1.0 63.23 ? 16 A 10 +ATOM 240 H HD3 . LYS A 1 16 ? -26.825 9.387 -13.754 1.0 14.51 ? 16 A 10 +ATOM 241 H HE2 . LYS A 1 16 ? -26.324 9.104 -16.606 1.0 44.12 ? 16 A 10 +ATOM 242 H HE3 . LYS A 1 16 ? -24.846 9.031 -15.647 1.0 75.31 ? 16 A 10 +ATOM 243 H HZ1 . LYS A 1 16 ? -25.361 6.962 -15.109 1.0 61.55 ? 16 A 10 +ATOM 244 H HZ2 . LYS A 1 16 ? -26.806 7.051 -15.986 1.0 23.15 ? 16 A 10 +ATOM 245 H HZ3 . LYS A 1 16 ? -26.779 7.491 -14.353 1.0 43.23 ? 16 A 10 +ATOM 246 N N . THR A 1 17 ? -24.992 12.959 -14.17 1.0 33.03 ? 17 A 10 +ATOM 247 C CA . THR A 1 17 ? -23.611 12.896 -13.708 1.0 61.21 ? 17 A 10 +ATOM 248 C C . THR A 1 17 ? -23.194 11.459 -13.416 1.0 13.11 ? 17 A 10 +ATOM 249 O O . THR A 1 17 ? -23.771 10.799 -12.551 1.0 32.24 ? 17 A 10 +ATOM 250 C CB . THR A 1 17 ? -23.403 13.746 -12.441 1.0 22.54 ? 17 A 10 +ATOM 251 O OG1 . THR A 1 17 ? -24.573 13.69 -11.616 1.0 24.32 ? 17 A 10 +ATOM 252 C CG2 . THR A 1 17 ? -23.101 15.193 -12.803 1.0 72.42 ? 17 A 10 +ATOM 253 H H . THR A 1 17 ? -25.712 13.064 -13.514 1.0 63.53 ? 17 A 10 +ATOM 254 H HA . THR A 1 17 ? -22.979 13.292 -14.49 1.0 15.15 ? 17 A 10 +ATOM 255 H HB . THR A 1 17 ? -22.564 13.346 -11.89 1.0 61.22 ? 17 A 10 +ATOM 256 H HG1 . THR A 1 17 ? -24.447 14.248 -10.844 1.0 54.0 ? 17 A 10 +ATOM 257 H HG21 . THR A 1 17 ? -23.946 15.812 -12.542 1.0 31.34 ? 17 A 10 +ATOM 258 H HG22 . THR A 1 17 ? -22.915 15.266 -13.865 1.0 12.24 ? 17 A 10 +ATOM 259 H HG23 . THR A 1 17 ? -22.229 15.525 -12.261 1.0 74.01 ? 17 A 10 +ATOM 260 N N . ILE A 1 18 ? -22.189 10.981 -14.141 1.0 21.15 ? 18 A 10 +ATOM 261 C CA . ILE A 1 18 ? -21.694 9.622 -13.957 1.0 42.23 ? 18 A 10 +ATOM 262 C C . ILE A 1 18 ? -20.214 9.621 -13.587 1.0 2.02 ? 18 A 10 +ATOM 263 O O . ILE A 1 18 ? -19.438 10.438 -14.082 1.0 34.24 ? 18 A 10 +ATOM 264 C CB . ILE A 1 18 ? -21.894 8.773 -15.227 1.0 20.13 ? 18 A 10 +ATOM 265 C CG1 . ILE A 1 18 ? -21.082 7.479 -15.135 1.0 0.43 ? 18 A 10 +ATOM 266 C CG2 . ILE A 1 18 ? -21.497 9.567 -16.462 1.0 34.34 ? 18 A 10 +ATOM 267 C CD1 . ILE A 1 18 ? -21.46 6.454 -16.181 1.0 41.12 ? 18 A 10 +ATOM 268 H H . ILE A 1 18 ? -21.769 11.555 -14.815 1.0 72.35 ? 18 A 10 +ATOM 269 H HA . ILE A 1 18 ? -22.256 9.169 -13.153 1.0 33.1 ? 18 A 10 +ATOM 270 H HB . ILE A 1 18 ? -22.942 8.528 -15.307 1.0 55.23 ? 18 A 10 +ATOM 271 H HG12 . ILE A 1 18 ? -20.036 7.708 -15.258 1.0 35.45 ? 18 A 10 +ATOM 272 H HG13 . ILE A 1 18 ? -21.237 7.035 -14.162 1.0 15.51 ? 18 A 10 +ATOM 273 H HG21 . ILE A 1 18 ? -20.531 10.023 -16.302 1.0 31.24 ? 18 A 10 +ATOM 274 H HG22 . ILE A 1 18 ? -21.445 8.905 -17.314 1.0 60.32 ? 18 A 10 +ATOM 275 H HG23 . ILE A 1 18 ? -22.231 10.336 -16.648 1.0 71.44 ? 18 A 10 +ATOM 276 H HD11 . ILE A 1 18 ? -20.604 5.831 -16.4 1.0 32.31 ? 18 A 10 +ATOM 277 H HD12 . ILE A 1 18 ? -22.265 5.838 -15.808 1.0 60.24 ? 18 A 10 +ATOM 278 H HD13 . ILE A 1 18 ? -21.777 6.958 -17.082 1.0 25.35 ? 18 A 10 +ATOM 279 N N . THR A 1 19 ? -19.829 8.696 -12.713 1.0 42.32 ? 19 A 10 +ATOM 280 C CA . THR A 1 19 ? -18.443 8.587 -12.276 1.0 41.24 ? 19 A 10 +ATOM 281 C C . THR A 1 19 ? -17.816 7.284 -12.756 1.0 70.21 ? 19 A 10 +ATOM 282 O O . THR A 1 19 ? -18.448 6.228 -12.715 1.0 44.42 ? 19 A 10 +ATOM 283 C CB . THR A 1 19 ? -18.33 8.663 -10.741 1.0 2.4 ? 19 A 10 +ATOM 284 O OG1 . THR A 1 19 ? -19.615 8.929 -10.168 1.0 22.32 ? 19 A 10 +ATOM 285 C CG2 . THR A 1 19 ? -17.349 9.748 -10.324 1.0 13.14 ? 19 A 10 +ATOM 286 H H . THR A 1 19 ? -20.495 8.073 -12.354 1.0 1.15 ? 19 A 10 +ATOM 287 H HA . THR A 1 19 ? -17.895 9.417 -12.698 1.0 65.43 ? 19 A 10 +ATOM 288 H HB . THR A 1 19 ? -17.97 7.713 -10.375 1.0 44.24 ? 19 A 10 +ATOM 289 H HG1 . THR A 1 19 ? -19.505 9.251 -9.27 1.0 60.25 ? 19 A 10 +ATOM 290 H HG21 . THR A 1 19 ? -17.302 10.505 -11.092 1.0 73.33 ? 19 A 10 +ATOM 291 H HG22 . THR A 1 19 ? -16.37 9.315 -10.186 1.0 23.45 ? 19 A 10 +ATOM 292 H HG23 . THR A 1 19 ? -17.679 10.195 -9.398 1.0 51.03 ? 19 A 10 +ATOM 293 N N . ILE A 1 20 ? -16.57 7.364 -13.21 1.0 2.13 ? 20 A 10 +ATOM 294 C CA . ILE A 1 20 ? -15.857 6.19 -13.696 1.0 23.24 ? 20 A 10 +ATOM 295 C C . ILE A 1 20 ? -14.385 6.238 -13.303 1.0 21.51 ? 20 A 10 +ATOM 296 O O . ILE A 1 20 ? -13.715 7.254 -13.487 1.0 3.54 ? 20 A 10 +ATOM 297 C CB . ILE A 1 20 ? -15.963 6.06 -15.228 1.0 55.55 ? 20 A 10 +ATOM 298 C CG1 . ILE A 1 20 ? -15.95 7.444 -15.88 1.0 1.5 ? 20 A 10 +ATOM 299 C CG2 . ILE A 1 20 ? -17.225 5.301 -15.609 1.0 1.32 ? 20 A 10 +ATOM 300 C CD1 . ILE A 1 20 ? -15.262 7.47 -17.227 1.0 2.4 ? 20 A 10 +ATOM 301 H H . ILE A 1 20 ? -16.119 8.234 -13.217 1.0 32.52 ? 20 A 10 +ATOM 302 H HA . ILE A 1 20 ? -16.31 5.316 -13.249 1.0 40.32 ? 20 A 10 +ATOM 303 H HB . ILE A 1 20 ? -15.113 5.496 -15.579 1.0 75.22 ? 20 A 10 +ATOM 304 H HG12 . ILE A 1 20 ? -16.965 7.78 -16.02 1.0 4.24 ? 20 A 10 +ATOM 305 H HG13 . ILE A 1 20 ? -15.433 8.135 -15.23 1.0 20.02 ? 20 A 10 +ATOM 306 H HG21 . ILE A 1 20 ? -17.106 4.877 -16.595 1.0 41.11 ? 20 A 10 +ATOM 307 H HG22 . ILE A 1 20 ? -17.398 4.51 -14.895 1.0 51.34 ? 20 A 10 +ATOM 308 H HG23 . ILE A 1 20 ? -18.067 5.978 -15.607 1.0 74.34 ? 20 A 10 +ATOM 309 H HD11 . ILE A 1 20 ? -14.21 7.673 -17.09 1.0 44.23 ? 20 A 10 +ATOM 310 H HD12 . ILE A 1 20 ? -15.382 6.513 -17.712 1.0 43.31 ? 20 A 10 +ATOM 311 H HD13 . ILE A 1 20 ? -15.7 8.243 -17.841 1.0 23.14 ? 20 A 10 +ATOM 312 N N . ASP A 1 21 ? -13.887 5.132 -12.761 1.0 44.41 ? 21 A 10 +ATOM 313 C CA . ASP A 1 21 ? -12.492 5.046 -12.343 1.0 13.43 ? 21 A 10 +ATOM 314 C C . ASP A 1 21 ? -11.589 4.718 -13.528 1.0 74.52 ? 21 A 10 +ATOM 315 O O . ASP A 1 21 ? -11.759 3.691 -14.186 1.0 3.25 ? 21 A 10 +ATOM 316 C CB . ASP A 1 21 ? -12.328 3.986 -11.252 1.0 40.32 ? 21 A 10 +ATOM 317 C CG . ASP A 1 21 ? -12.688 2.596 -11.737 1.0 70.32 ? 21 A 10 +ATOM 318 O OD1 . ASP A 1 21 ? -13.891 2.259 -11.734 1.0 34.41 ? 21 A 10 +ATOM 319 O OD2 . ASP A 1 21 ? -11.767 1.845 -12.121 1.0 4.34 ? 21 A 10 +ATOM 320 H H . ASP A 1 21 ? -14.471 4.354 -12.639 1.0 61.24 ? 21 A 10 +ATOM 321 H HA . ASP A 1 21 ? -12.206 6.007 -11.944 1.0 0.1 ? 21 A 10 +ATOM 322 H HB2 . ASP A 1 21 ? -11.3 3.977 -10.92 1.0 73.15 ? 21 A 10 +ATOM 323 H HB3 . ASP A 1 21 ? -12.969 4.235 -10.419 1.0 61.23 ? 21 A 10 +ATOM 324 N N . VAL A 1 22 ? -10.629 5.598 -13.796 1.0 30.34 ? 22 A 10 +ATOM 325 C CA . VAL A 1 22 ? -9.699 5.402 -14.901 1.0 1.34 ? 22 A 10 +ATOM 326 C C . VAL A 1 22 ? -8.265 5.686 -14.47 1.0 61.2 ? 22 A 10 +ATOM 327 O O . VAL A 1 22 ? -8.029 6.307 -13.433 1.0 34.03 ? 22 A 10 +ATOM 328 C CB . VAL A 1 22 ? -10.052 6.305 -16.098 1.0 60.13 ? 22 A 10 +ATOM 329 C CG1 . VAL A 1 22 ? -11.507 6.741 -16.027 1.0 14.0 ? 22 A 10 +ATOM 330 C CG2 . VAL A 1 22 ? -9.126 7.511 -16.145 1.0 61.12 ? 22 A 10 +ATOM 331 H H . VAL A 1 22 ? -10.544 6.397 -13.235 1.0 71.0 ? 22 A 10 +ATOM 332 H HA . VAL A 1 22 ? -9.772 4.372 -15.22 1.0 41.13 ? 22 A 10 +ATOM 333 H HB . VAL A 1 22 ? -9.914 5.736 -17.006 1.0 23.42 ? 22 A 10 +ATOM 334 H HG11 . VAL A 1 22 ? -11.639 7.42 -15.197 1.0 3.13 ? 22 A 10 +ATOM 335 H HG12 . VAL A 1 22 ? -11.779 7.239 -16.946 1.0 11.12 ? 22 A 10 +ATOM 336 H HG13 . VAL A 1 22 ? -12.136 5.875 -15.886 1.0 2.3 ? 22 A 10 +ATOM 337 H HG21 . VAL A 1 22 ? -9.514 8.235 -16.846 1.0 43.3 ? 22 A 10 +ATOM 338 H HG22 . VAL A 1 22 ? -9.066 7.956 -15.164 1.0 71.52 ? 22 A 10 +ATOM 339 H HG23 . VAL A 1 22 ? -8.141 7.198 -16.459 1.0 24.41 ? 22 A 10 +ATOM 340 N N . ASP A 1 23 ? -7.31 5.227 -15.271 1.0 73.14 ? 23 A 10 +ATOM 341 C CA . ASP A 1 23 ? -5.897 5.433 -14.974 1.0 0.33 ? 23 A 10 +ATOM 342 C C . ASP A 1 23 ? -5.248 6.335 -16.018 1.0 62.12 ? 23 A 10 +ATOM 343 O O . ASP A 1 23 ? -5.693 6.395 -17.165 1.0 35.34 ? 23 A 10 +ATOM 344 C CB . ASP A 1 23 ? -5.166 4.091 -14.915 1.0 24.44 ? 23 A 10 +ATOM 345 C CG . ASP A 1 23 ? -4.4 3.905 -13.619 1.0 11.25 ? 23 A 10 +ATOM 346 O OD1 . ASP A 1 23 ? -3.838 4.899 -13.115 1.0 71.52 ? 23 A 10 +ATOM 347 O OD2 . ASP A 1 23 ? -4.362 2.765 -13.11 1.0 54.12 ? 23 A 10 +ATOM 348 H H . ASP A 1 23 ? -7.561 4.739 -16.084 1.0 71.31 ? 23 A 10 +ATOM 349 H HA . ASP A 1 23 ? -5.828 5.913 -14.009 1.0 62.03 ? 23 A 10 +ATOM 350 H HB2 . ASP A 1 23 ? -5.887 3.291 -15.003 1.0 75.32 ? 23 A 10 +ATOM 351 H HB3 . ASP A 1 23 ? -4.467 4.033 -15.737 1.0 32.1 ? 23 A 10 +ATOM 352 N N . HIS A 1 24 ? -4.193 7.035 -15.614 1.0 3.42 ? 24 A 10 +ATOM 353 C CA . HIS A 1 24 ? -3.482 7.935 -16.515 1.0 64.1 ? 24 A 10 +ATOM 354 C C . HIS A 1 24 ? -2.906 7.171 -17.704 1.0 13.22 ? 24 A 10 +ATOM 355 O O . HIS A 1 24 ? -2.526 7.766 -18.712 1.0 40.32 ? 24 A 10 +ATOM 356 C CB . HIS A 1 24 ? -2.361 8.659 -15.768 1.0 43.52 ? 24 A 10 +ATOM 357 C CG . HIS A 1 24 ? -1.216 7.767 -15.396 1.0 63.23 ? 24 A 10 +ATOM 358 N ND1 . HIS A 1 24 ? -1.292 6.825 -14.392 1.0 33.23 ? 24 A 10 +ATOM 359 C CD2 . HIS A 1 24 ? 0.036 7.677 -15.901 1.0 70.35 ? 24 A 10 +ATOM 360 C CE1 . HIS A 1 24 ? -0.135 6.195 -14.294 1.0 52.22 ? 24 A 10 +ATOM 361 N NE2 . HIS A 1 24 ? 0.688 6.693 -15.199 1.0 51.1 ? 24 A 10 +ATOM 362 H H . HIS A 1 24 ? -3.885 6.944 -14.688 1.0 35.01 ? 24 A 10 +ATOM 363 H HA . HIS A 1 24 ? -4.188 8.665 -16.881 1.0 52.33 ? 24 A 10 +ATOM 364 H HB2 . HIS A 1 24 ? -1.974 9.451 -16.392 1.0 74.33 ? 24 A 10 +ATOM 365 H HB3 . HIS A 1 24 ? -2.76 9.085 -14.859 1.0 2.24 ? 24 A 10 +ATOM 366 H HD1 . HIS A 1 24 ? -2.076 6.646 -13.833 1.0 61.24 ? 24 A 10 +ATOM 367 H HD2 . HIS A 1 24 ? 0.448 8.27 -16.706 1.0 14.35 ? 24 A 10 +ATOM 368 H HE1 . HIS A 1 24 ? 0.099 5.407 -13.595 1.0 73.24 ? 24 A 10 +ATOM 369 N N . ALA A 1 25 ? -2.844 5.849 -17.577 1.0 63.43 ? 25 A 10 +ATOM 370 C CA . ALA A 1 25 ? -2.316 5.004 -18.641 1.0 43.32 ? 25 A 10 +ATOM 371 C C . ALA A 1 25 ? -3.402 4.647 -19.649 1.0 33.54 ? 25 A 10 +ATOM 372 O O . ALA A 1 25 ? -3.185 3.835 -20.549 1.0 12.23 ? 25 A 10 +ATOM 373 C CB . ALA A 1 25 ? -1.701 3.741 -18.055 1.0 51.34 ? 25 A 10 +ATOM 374 H H . ALA A 1 25 ? -3.162 5.433 -16.749 1.0 55.41 ? 25 A 10 +ATOM 375 H HA . ALA A 1 25 ? -1.535 5.553 -19.147 1.0 23.12 ? 25 A 10 +ATOM 376 H HB1 . ALA A 1 25 ? -2.418 3.262 -17.404 1.0 42.21 ? 25 A 10 +ATOM 377 H HB2 . ALA A 1 25 ? -1.434 3.067 -18.855 1.0 3.14 ? 25 A 10 +ATOM 378 H HB3 . ALA A 1 25 ? -0.818 3.999 -17.491 1.0 44.44 ? 25 A 10 +ATOM 379 N N . ASP A 1 26 ? -4.571 5.258 -19.493 1.0 53.31 ? 26 A 10 +ATOM 380 C CA . ASP A 1 26 ? -5.693 5.005 -20.391 1.0 71.32 ? 26 A 10 +ATOM 381 C C . ASP A 1 26 ? -5.821 6.118 -21.427 1.0 31.24 ? 26 A 10 +ATOM 382 O O . ASP A 1 26 ? -4.925 6.95 -21.575 1.0 53.43 ? 26 A 10 +ATOM 383 C CB . ASP A 1 26 ? -6.993 4.88 -19.595 1.0 21.1 ? 26 A 10 +ATOM 384 C CG . ASP A 1 26 ? -6.927 3.785 -18.548 1.0 73.54 ? 26 A 10 +ATOM 385 O OD1 . ASP A 1 26 ? -6.059 3.87 -17.654 1.0 73.22 ? 26 A 10 +ATOM 386 O OD2 . ASP A 1 26 ? -7.744 2.843 -18.623 1.0 2.02 ? 26 A 10 +ATOM 387 H H . ASP A 1 26 ? -4.683 5.896 -18.757 1.0 73.33 ? 26 A 10 +ATOM 388 H HA . ASP A 1 26 ? -5.504 4.074 -20.903 1.0 35.3 ? 26 A 10 +ATOM 389 H HB2 . ASP A 1 26 ? -7.194 5.817 -19.096 1.0 71.15 ? 26 A 10 +ATOM 390 H HB3 . ASP A 1 26 ? -7.802 4.657 -20.273 1.0 51.4 ? 26 A 10 +ATOM 391 N N . THR A 1 27 ? -6.941 6.126 -22.142 1.0 11.22 ? 27 A 10 +ATOM 392 C CA . THR A 1 27 ? -7.187 7.135 -23.166 1.0 12.11 ? 27 A 10 +ATOM 393 C C . THR A 1 27 ? -8.671 7.468 -23.265 1.0 24.55 ? 27 A 10 +ATOM 394 O O . THR A 1 27 ? -9.518 6.732 -22.759 1.0 14.34 ? 27 A 10 +ATOM 395 C CB . THR A 1 27 ? -6.683 6.669 -24.545 1.0 24.42 ? 27 A 10 +ATOM 396 O OG1 . THR A 1 27 ? -6.678 5.238 -24.607 1.0 51.41 ? 27 A 10 +ATOM 397 C CG2 . THR A 1 27 ? -5.283 7.199 -24.818 1.0 72.22 ? 27 A 10 +ATOM 398 H H . THR A 1 27 ? -7.618 5.437 -21.978 1.0 1.33 ? 27 A 10 +ATOM 399 H HA . THR A 1 27 ? -6.645 8.028 -22.891 1.0 54.42 ? 27 A 10 +ATOM 400 H HB . THR A 1 27 ? -7.351 7.052 -25.304 1.0 51.23 ? 27 A 10 +ATOM 401 H HG1 . THR A 1 27 ? -5.902 4.901 -24.152 1.0 23.44 ? 27 A 10 +ATOM 402 H HG21 . THR A 1 27 ? -4.934 6.82 -25.766 1.0 20.21 ? 27 A 10 +ATOM 403 H HG22 . THR A 1 27 ? -4.616 6.874 -24.033 1.0 40.31 ? 27 A 10 +ATOM 404 H HG23 . THR A 1 27 ? -5.307 8.278 -24.847 1.0 53.14 ? 27 A 10 +ATOM 405 N N . VAL A 1 28 ? -8.98 8.581 -23.922 1.0 70.04 ? 28 A 10 +ATOM 406 C CA . VAL A 1 28 ? -10.363 9.011 -24.089 1.0 40.12 ? 28 A 10 +ATOM 407 C C . VAL A 1 28 ? -11.207 7.911 -24.723 1.0 43.3 ? 28 A 10 +ATOM 408 O O . VAL A 1 28 ? -12.286 7.581 -24.232 1.0 51.44 ? 28 A 10 +ATOM 409 C CB . VAL A 1 28 ? -10.456 10.28 -24.958 1.0 70.14 ? 28 A 10 +ATOM 410 C CG1 . VAL A 1 28 ? -11.86 10.861 -24.907 1.0 13.41 ? 28 A 10 +ATOM 411 C CG2 . VAL A 1 28 ? -9.428 11.307 -24.51 1.0 73.55 ? 28 A 10 +ATOM 412 H H . VAL A 1 28 ? -8.261 9.127 -24.303 1.0 50.23 ? 28 A 10 +ATOM 413 H HA . VAL A 1 28 ? -10.763 9.24 -23.112 1.0 62.42 ? 28 A 10 +ATOM 414 H HB . VAL A 1 28 ? -10.24 10.007 -25.981 1.0 52.41 ? 28 A 10 +ATOM 415 H HG11 . VAL A 1 28 ? -12.003 11.375 -23.967 1.0 72.32 ? 28 A 10 +ATOM 416 H HG12 . VAL A 1 28 ? -11.992 11.556 -25.723 1.0 75.12 ? 28 A 10 +ATOM 417 H HG13 . VAL A 1 28 ? -12.583 10.063 -24.993 1.0 43.12 ? 28 A 10 +ATOM 418 H HG21 . VAL A 1 28 ? -9.934 12.191 -24.152 1.0 22.23 ? 28 A 10 +ATOM 419 H HG22 . VAL A 1 28 ? -8.825 10.891 -23.717 1.0 21.24 ? 28 A 10 +ATOM 420 H HG23 . VAL A 1 28 ? -8.793 11.57 -25.345 1.0 51.43 ? 28 A 10 +ATOM 421 N N . GLY A 1 29 ? -10.708 7.347 -25.819 1.0 51.02 ? 29 A 10 +ATOM 422 C CA . GLY A 1 29 ? -11.429 6.29 -26.503 1.0 24.21 ? 29 A 10 +ATOM 423 C C . GLY A 1 29 ? -11.869 5.185 -25.563 1.0 62.32 ? 29 A 10 +ATOM 424 O O . GLY A 1 29 ? -13.036 4.794 -25.557 1.0 1.41 ? 29 A 10 +ATOM 425 H H . GLY A 1 29 ? -9.844 7.651 -26.166 1.0 25.44 ? 29 A 10 +ATOM 426 H HA2 . GLY A 1 29 ? -12.302 6.713 -26.978 1.0 33.14 ? 29 A 10 +ATOM 427 H HA3 . GLY A 1 29 ? -10.789 5.866 -27.262 1.0 61.11 ? 29 A 10 +ATOM 428 N N . ALA A 1 30 ? -10.933 4.681 -24.766 1.0 0.3 ? 30 A 10 +ATOM 429 C CA . ALA A 1 30 ? -11.23 3.615 -23.817 1.0 24.42 ? 30 A 10 +ATOM 430 C C . ALA A 1 30 ? -12.301 4.05 -22.821 1.0 23.15 ? 30 A 10 +ATOM 431 O O . ALA A 1 30 ? -13.182 3.269 -22.461 1.0 23.32 ? 30 A 10 +ATOM 432 C CB . ALA A 1 30 ? -9.965 3.194 -23.084 1.0 4.23 ? 30 A 10 +ATOM 433 H H . ALA A 1 30 ? -10.021 5.035 -24.817 1.0 13.0 ? 30 A 10 +ATOM 434 H HA . ALA A 1 30 ? -11.595 2.764 -24.374 1.0 42.35 ? 30 A 10 +ATOM 435 H HB1 . ALA A 1 30 ? -10.09 2.191 -22.701 1.0 24.3 ? 30 A 10 +ATOM 436 H HB2 . ALA A 1 30 ? -9.129 3.218 -23.766 1.0 15.25 ? 30 A 10 +ATOM 437 H HB3 . ALA A 1 30 ? -9.782 3.872 -22.264 1.0 54.13 ? 30 A 10 +ATOM 438 N N . VAL A 1 31 ? -12.219 5.301 -22.379 1.0 44.02 ? 31 A 10 +ATOM 439 C CA . VAL A 1 31 ? -13.181 5.839 -21.426 1.0 44.43 ? 31 A 10 +ATOM 440 C C . VAL A 1 31 ? -14.586 5.864 -22.017 1.0 22.33 ? 31 A 10 +ATOM 441 O O . VAL A 1 31 ? -15.56 5.516 -21.348 1.0 41.34 ? 31 A 10 +ATOM 442 C CB . VAL A 1 31 ? -12.797 7.264 -20.984 1.0 42.01 ? 31 A 10 +ATOM 443 C CG1 . VAL A 1 31 ? -13.863 7.845 -20.068 1.0 61.22 ? 31 A 10 +ATOM 444 C CG2 . VAL A 1 31 ? -11.438 7.261 -20.3 1.0 34.2 ? 31 A 10 +ATOM 445 H H . VAL A 1 31 ? -11.494 5.875 -22.703 1.0 33.11 ? 31 A 10 +ATOM 446 H HA . VAL A 1 31 ? -13.179 5.202 -20.553 1.0 53.53 ? 31 A 10 +ATOM 447 H HB . VAL A 1 31 ? -12.733 7.886 -21.864 1.0 34.14 ? 31 A 10 +ATOM 448 H HG11 . VAL A 1 31 ? -14.495 8.516 -20.631 1.0 24.43 ? 31 A 10 +ATOM 449 H HG12 . VAL A 1 31 ? -14.461 7.044 -19.658 1.0 62.24 ? 31 A 10 +ATOM 450 H HG13 . VAL A 1 31 ? -13.389 8.388 -19.264 1.0 4.44 ? 31 A 10 +ATOM 451 H HG21 . VAL A 1 31 ? -11.185 6.254 -20.005 1.0 32.4 ? 31 A 10 +ATOM 452 H HG22 . VAL A 1 31 ? -10.691 7.634 -20.985 1.0 31.51 ? 31 A 10 +ATOM 453 H HG23 . VAL A 1 31 ? -11.473 7.894 -19.426 1.0 2.41 ? 31 A 10 +ATOM 454 N N . LYS A 1 32 ? -14.685 6.276 -23.276 1.0 44.33 ? 32 A 10 +ATOM 455 C CA . LYS A 1 32 ? -15.971 6.345 -23.961 1.0 33.41 ? 32 A 10 +ATOM 456 C C . LYS A 1 32 ? -16.682 4.996 -23.92 1.0 33.52 ? 32 A 10 +ATOM 457 O O . LYS A 1 32 ? -17.89 4.928 -23.698 1.0 55.22 ? 32 A 10 +ATOM 458 C CB . LYS A 1 32 ? -15.775 6.786 -25.413 1.0 21.43 ? 32 A 10 +ATOM 459 C CG . LYS A 1 32 ? -16.397 8.136 -25.727 1.0 62.04 ? 32 A 10 +ATOM 460 C CD . LYS A 1 32 ? -15.336 9.207 -25.921 1.0 13.3 ? 32 A 10 +ATOM 461 C CE . LYS A 1 32 ? -15.247 9.647 -27.375 1.0 61.02 ? 32 A 10 +ATOM 462 N NZ . LYS A 1 32 ? -16.522 10.252 -27.85 1.0 10.13 ? 32 A 10 +ATOM 463 H H . LYS A 1 32 ? -13.872 6.54 -23.758 1.0 0.43 ? 32 A 10 +ATOM 464 H HA . LYS A 1 32 ? -16.58 7.075 -23.45 1.0 20.21 ? 32 A 10 +ATOM 465 H HB2 . LYS A 1 32 ? -14.717 6.844 -25.62 1.0 31.13 ? 32 A 10 +ATOM 466 H HB3 . LYS A 1 32 ? -16.221 6.048 -26.064 1.0 51.43 ? 32 A 10 +ATOM 467 H HG2 . LYS A 1 32 ? -16.978 8.053 -26.633 1.0 34.55 ? 32 A 10 +ATOM 468 H HG3 . LYS A 1 32 ? -17.041 8.425 -24.909 1.0 75.31 ? 32 A 10 +ATOM 469 H HD2 . LYS A 1 32 ? -15.585 10.063 -25.312 1.0 62.53 ? 32 A 10 +ATOM 470 H HD3 . LYS A 1 32 ? -14.378 8.812 -25.615 1.0 34.24 ? 32 A 10 +ATOM 471 H HE2 . LYS A 1 32 ? -14.456 10.375 -27.469 1.0 32.35 ? 32 A 10 +ATOM 472 H HE3 . LYS A 1 32 ? -15.018 8.785 -27.984 1.0 31.14 ? 32 A 10 +ATOM 473 H HZ1 . LYS A 1 32 ? -16.366 10.758 -28.744 1.0 3.34 ? 32 A 10 +ATOM 474 H HZ2 . LYS A 1 32 ? -16.884 10.923 -27.142 1.0 11.13 ? 32 A 10 +ATOM 475 H HZ3 . LYS A 1 32 ? -17.234 9.51 -28.003 1.0 13.55 ? 32 A 10 +ATOM 476 N N . ALA A 1 33 ? -15.924 3.926 -24.133 1.0 34.21 ? 33 A 10 +ATOM 477 C CA . ALA A 1 33 ? -16.481 2.579 -24.117 1.0 60.31 ? 33 A 10 +ATOM 478 C C . ALA A 1 33 ? -17.027 2.228 -22.737 1.0 31.03 ? 33 A 10 +ATOM 479 O O . ALA A 1 33 ? -18.1 1.636 -22.615 1.0 31.32 ? 33 A 10 +ATOM 480 C CB . ALA A 1 33 ? -15.429 1.567 -24.543 1.0 54.24 ? 33 A 10 +ATOM 481 H H . ALA A 1 33 ? -14.966 4.045 -24.305 1.0 43.1 ? 33 A 10 +ATOM 482 H HA . ALA A 1 33 ? -17.29 2.544 -24.833 1.0 53.01 ? 33 A 10 +ATOM 483 H HB1 . ALA A 1 33 ? -14.512 1.753 -24.003 1.0 2.33 ? 33 A 10 +ATOM 484 H HB2 . ALA A 1 33 ? -15.78 0.569 -24.326 1.0 61.23 ? 33 A 10 +ATOM 485 H HB3 . ALA A 1 33 ? -15.247 1.662 -25.603 1.0 53.23 ? 33 A 10 +ATOM 486 N N . LYS A 1 34 ? -16.283 2.596 -21.7 1.0 30.14 ? 34 A 10 +ATOM 487 C CA . LYS A 1 34 ? -16.692 2.321 -20.328 1.0 3.41 ? 34 A 10 +ATOM 488 C C . LYS A 1 34 ? -18.027 2.989 -20.013 1.0 51.04 ? 34 A 10 +ATOM 489 O O . LYS A 1 34 ? -18.889 2.399 -19.363 1.0 30.3 ? 34 A 10 +ATOM 490 C CB . LYS A 1 34 ? -15.622 2.807 -19.348 1.0 63.02 ? 34 A 10 +ATOM 491 C CG . LYS A 1 34 ? -15.965 2.541 -17.892 1.0 24.43 ? 34 A 10 +ATOM 492 C CD . LYS A 1 34 ? -15.943 1.055 -17.577 1.0 44.42 ? 34 A 10 +ATOM 493 C CE . LYS A 1 34 ? -14.548 0.472 -17.737 1.0 34.12 ? 34 A 10 +ATOM 494 N NZ . LYS A 1 34 ? -14.444 -0.89 -17.143 1.0 13.0 ? 34 A 10 +ATOM 495 H H . LYS A 1 34 ? -15.437 3.066 -21.862 1.0 65.25 ? 34 A 10 +ATOM 496 H HA . LYS A 1 34 ? -16.805 1.252 -20.223 1.0 3.22 ? 34 A 10 +ATOM 497 H HB2 . LYS A 1 34 ? -14.691 2.309 -19.573 1.0 71.03 ? 34 A 10 +ATOM 498 H HB3 . LYS A 1 34 ? -15.491 3.872 -19.476 1.0 71.12 ? 34 A 10 +ATOM 499 H HG2 . LYS A 1 34 ? -15.243 3.042 -17.264 1.0 24.23 ? 34 A 10 +ATOM 500 H HG3 . LYS A 1 34 ? -16.953 2.929 -17.688 1.0 22.21 ? 34 A 10 +ATOM 501 H HD2 . LYS A 1 34 ? -16.267 0.907 -16.557 1.0 63.43 ? 34 A 10 +ATOM 502 H HD3 . LYS A 1 34 ? -16.617 0.543 -18.249 1.0 75.33 ? 34 A 10 +ATOM 503 H HE2 . LYS A 1 34 ? -14.315 0.415 -18.79 1.0 34.14 ? 34 A 10 +ATOM 504 H HE3 . LYS A 1 34 ? -13.84 1.124 -17.247 1.0 0.12 ? 34 A 10 +ATOM 505 H HZ1 . LYS A 1 34 ? -14.375 -0.824 -16.108 1.0 62.42 ? 34 A 10 +ATOM 506 H HZ2 . LYS A 1 34 ? -13.597 -1.374 -17.506 1.0 14.2 ? 34 A 10 +ATOM 507 H HZ3 . LYS A 1 34 ? -15.283 -1.452 -17.389 1.0 65.2 ? 34 A 10 +ATOM 508 N N . ILE A 1 35 ? -18.19 4.223 -20.48 1.0 14.42 ? 35 A 10 +ATOM 509 C CA . ILE A 1 35 ? -19.42 4.969 -20.251 1.0 22.32 ? 35 A 10 +ATOM 510 C C . ILE A 1 35 ? -20.579 4.377 -21.046 1.0 74.31 ? 35 A 10 +ATOM 511 O O . ILE A 1 35 ? -21.719 4.357 -20.58 1.0 33.23 ? 35 A 10 +ATOM 512 C CB . ILE A 1 35 ? -19.258 6.453 -20.629 1.0 42.5 ? 35 A 10 +ATOM 513 C CG1 . ILE A 1 35 ? -18.084 7.071 -19.866 1.0 22.04 ? 35 A 10 +ATOM 514 C CG2 . ILE A 1 35 ? -20.543 7.216 -20.345 1.0 45.14 ? 35 A 10 +ATOM 515 C CD1 . ILE A 1 35 ? -18.193 6.92 -18.365 1.0 11.1 ? 35 A 10 +ATOM 516 H H . ILE A 1 35 ? -17.466 4.64 -20.992 1.0 54.44 ? 35 A 10 +ATOM 517 H HA . ILE A 1 35 ? -19.654 4.911 -19.197 1.0 30.01 ? 35 A 10 +ATOM 518 H HB . ILE A 1 35 ? -19.06 6.512 -21.689 1.0 2.44 ? 35 A 10 +ATOM 519 H HG12 . ILE A 1 35 ? -17.168 6.597 -20.181 1.0 3.24 ? 35 A 10 +ATOM 520 H HG13 . ILE A 1 35 ? -18.035 8.127 -20.091 1.0 0.11 ? 35 A 10 +ATOM 521 H HG21 . ILE A 1 35 ? -20.354 7.972 -19.596 1.0 65.32 ? 35 A 10 +ATOM 522 H HG22 . ILE A 1 35 ? -20.889 7.689 -21.252 1.0 43.1 ? 35 A 10 +ATOM 523 H HG23 . ILE A 1 35 ? -21.296 6.532 -19.985 1.0 75.41 ? 35 A 10 +ATOM 524 H HD11 . ILE A 1 35 ? -17.422 6.249 -18.014 1.0 43.52 ? 35 A 10 +ATOM 525 H HD12 . ILE A 1 35 ? -18.07 7.884 -17.895 1.0 71.15 ? 35 A 10 +ATOM 526 H HD13 . ILE A 1 35 ? -19.162 6.516 -18.112 1.0 74.3 ? 35 A 10 +ATOM 527 N N . TYR A 1 36 ? -20.28 3.895 -22.247 1.0 62.53 ? 36 A 10 +ATOM 528 C CA . TYR A 1 36 ? -21.296 3.303 -23.108 1.0 64.44 ? 36 A 10 +ATOM 529 C C . TYR A 1 36 ? -22.014 2.16 -22.396 1.0 53.42 ? 36 A 10 +ATOM 530 O O . TYR A 1 36 ? -23.24 2.058 -22.442 1.0 34.33 ? 36 A 10 +ATOM 531 C CB . TYR A 1 36 ? -20.663 2.794 -24.404 1.0 74.42 ? 36 A 10 +ATOM 532 C CG . TYR A 1 36 ? -21.079 1.387 -24.769 1.0 43.51 ? 36 A 10 +ATOM 533 C CD1 . TYR A 1 36 ? -22.358 1.12 -25.24 1.0 62.31 ? 36 A 10 +ATOM 534 C CD2 . TYR A 1 36 ? -20.192 0.325 -24.642 1.0 22.21 ? 36 A 10 +ATOM 535 C CE1 . TYR A 1 36 ? -22.743 -0.165 -25.574 1.0 25.24 ? 36 A 10 +ATOM 536 C CE2 . TYR A 1 36 ? -20.568 -0.962 -24.975 1.0 24.41 ? 36 A 10 +ATOM 537 C CZ . TYR A 1 36 ? -21.844 -1.202 -25.441 1.0 51.0 ? 36 A 10 +ATOM 538 O OH . TYR A 1 36 ? -22.222 -2.483 -25.772 1.0 31.41 ? 36 A 10 +ATOM 539 H H . TYR A 1 36 ? -19.353 3.94 -22.563 1.0 42.53 ? 36 A 10 +ATOM 540 H HA . TYR A 1 36 ? -22.017 4.071 -23.348 1.0 45.34 ? 36 A 10 +ATOM 541 H HB2 . TYR A 1 36 ? -20.95 3.445 -25.216 1.0 32.41 ? 36 A 10 +ATOM 542 H HB3 . TYR A 1 36 ? -19.588 2.807 -24.301 1.0 73.31 ? 36 A 10 +ATOM 543 H HD1 . TYR A 1 36 ? -23.061 1.934 -25.344 1.0 14.41 ? 36 A 10 +ATOM 544 H HD2 . TYR A 1 36 ? -19.194 0.516 -24.277 1.0 73.43 ? 36 A 10 +ATOM 545 H HE1 . TYR A 1 36 ? -23.742 -0.353 -25.939 1.0 30.0 ? 36 A 10 +ATOM 546 H HE2 . TYR A 1 36 ? -19.864 -1.775 -24.87 1.0 11.1 ? 36 A 10 +ATOM 547 H HH . TYR A 1 36 ? -22.805 -2.457 -26.534 1.0 20.21 ? 36 A 10 +ATOM 548 N N . ASP A 1 37 ? -21.241 1.303 -21.739 1.0 31.31 ? 37 A 10 +ATOM 549 C CA . ASP A 1 37 ? -21.801 0.168 -21.015 1.0 4.3 ? 37 A 10 +ATOM 550 C C . ASP A 1 37 ? -22.444 0.62 -19.708 1.0 30.32 ? 37 A 10 +ATOM 551 O O . ASP A 1 37 ? -23.441 0.051 -19.264 1.0 62.0 ? 37 A 10 +ATOM 552 C CB . ASP A 1 37 ? -20.714 -0.87 -20.732 1.0 35.43 ? 37 A 10 +ATOM 553 C CG . ASP A 1 37 ? -20.961 -2.179 -21.455 1.0 34.32 ? 37 A 10 +ATOM 554 O OD1 . ASP A 1 37 ? -21.905 -2.901 -21.071 1.0 31.12 ? 37 A 10 +ATOM 555 O OD2 . ASP A 1 37 ? -20.209 -2.483 -22.406 1.0 3.2 ? 37 A 10 +ATOM 556 H H . ASP A 1 37 ? -20.27 1.438 -21.739 1.0 51.42 ? 37 A 10 +ATOM 557 H HA . ASP A 1 37 ? -22.56 -0.281 -21.638 1.0 32.24 ? 37 A 10 +ATOM 558 H HB2 . ASP A 1 37 ? -19.759 -0.479 -21.051 1.0 43.14 ? 37 A 10 +ATOM 559 H HB3 . ASP A 1 37 ? -20.681 -1.067 -19.67 1.0 34.23 ? 37 A 10 +ATOM 560 N N . LYS A 1 38 ? -21.865 1.646 -19.094 1.0 33.03 ? 38 A 10 +ATOM 561 C CA . LYS A 1 38 ? -22.379 2.176 -17.837 1.0 33.5 ? 38 A 10 +ATOM 562 C C . LYS A 1 38 ? -23.843 2.582 -17.976 1.0 62.1 ? 38 A 10 +ATOM 563 O O . LYS A 1 38 ? -24.678 2.22 -17.148 1.0 13.24 ? 38 A 10 +ATOM 564 C CB . LYS A 1 38 ? -21.546 3.379 -17.387 1.0 32.13 ? 38 A 10 +ATOM 565 C CG . LYS A 1 38 ? -20.791 3.144 -16.091 1.0 11.13 ? 38 A 10 +ATOM 566 C CD . LYS A 1 38 ? -19.332 2.807 -16.348 1.0 55.11 ? 38 A 10 +ATOM 567 C CE . LYS A 1 38 ? -19.123 1.307 -16.488 1.0 12.13 ? 38 A 10 +ATOM 568 N NZ . LYS A 1 38 ? -18.425 0.731 -15.306 1.0 62.42 ? 38 A 10 +ATOM 569 H H . LYS A 1 38 ? -21.071 2.059 -19.497 1.0 40.1 ? 38 A 10 +ATOM 570 H HA . LYS A 1 38 ? -22.304 1.398 -17.093 1.0 13.43 ? 38 A 10 +ATOM 571 H HB2 . LYS A 1 38 ? -20.829 3.614 -18.16 1.0 53.44 ? 38 A 10 +ATOM 572 H HB3 . LYS A 1 38 ? -22.204 4.225 -17.248 1.0 74.35 ? 38 A 10 +ATOM 573 H HG2 . LYS A 1 38 ? -20.841 4.039 -15.488 1.0 72.35 ? 38 A 10 +ATOM 574 H HG3 . LYS A 1 38 ? -21.252 2.324 -15.559 1.0 65.33 ? 38 A 10 +ATOM 575 H HD2 . LYS A 1 38 ? -19.015 3.289 -17.261 1.0 31.44 ? 38 A 10 +ATOM 576 H HD3 . LYS A 1 38 ? -18.736 3.169 -15.522 1.0 51.13 ? 38 A 10 +ATOM 577 H HE2 . LYS A 1 38 ? -20.086 0.831 -16.594 1.0 72.24 ? 38 A 10 +ATOM 578 H HE3 . LYS A 1 38 ? -18.53 1.12 -17.372 1.0 52.14 ? 38 A 10 +ATOM 579 H HZ1 . LYS A 1 38 ? -17.863 -0.096 -15.59 1.0 12.21 ? 38 A 10 +ATOM 580 H HZ2 . LYS A 1 38 ? -19.12 0.436 -14.59 1.0 31.3 ? 38 A 10 +ATOM 581 H HZ3 . LYS A 1 38 ? -17.791 1.44 -14.885 1.0 72.13 ? 38 A 10 +ATOM 582 N N . GLU A 1 39 ? -24.146 3.334 -19.03 1.0 74.33 ? 39 A 10 +ATOM 583 C CA . GLU A 1 39 ? -25.51 3.788 -19.277 1.0 31.43 ? 39 A 10 +ATOM 584 C C . GLU A 1 39 ? -26.159 2.977 -20.394 1.0 55.55 ? 39 A 10 +ATOM 585 O O . GLU A 1 39 ? -27.217 2.377 -20.206 1.0 44.25 ? 39 A 10 +ATOM 586 C CB . GLU A 1 39 ? -25.519 5.274 -19.64 1.0 31.12 ? 39 A 10 +ATOM 587 C CG . GLU A 1 39 ? -24.295 6.029 -19.146 1.0 22.34 ? 39 A 10 +ATOM 588 C CD . GLU A 1 39 ? -24.253 6.148 -17.635 1.0 34.02 ? 39 A 10 +ATOM 589 O OE1 . GLU A 1 39 ? -24.41 5.112 -16.955 1.0 60.52 ? 39 A 10 +ATOM 590 O OE2 . GLU A 1 39 ? -24.064 7.275 -17.133 1.0 24.54 ? 39 A 10 +ATOM 591 H H . GLU A 1 39 ? -23.436 3.59 -19.655 1.0 53.12 ? 39 A 10 +ATOM 592 H HA . GLU A 1 39 ? -26.076 3.645 -18.369 1.0 24.23 ? 39 A 10 +ATOM 593 H HB2 . GLU A 1 39 ? -25.566 5.37 -20.714 1.0 13.32 ? 39 A 10 +ATOM 594 H HB3 . GLU A 1 39 ? -26.396 5.732 -19.207 1.0 53.15 ? 39 A 10 +ATOM 595 H HG2 . GLU A 1 39 ? -23.409 5.507 -19.476 1.0 73.51 ? 39 A 10 +ATOM 596 H HG3 . GLU A 1 39 ? -24.305 7.022 -19.571 1.0 55.55 ? 39 A 10 +ATOM 597 N N . GLY A 1 40 ? -25.517 2.964 -21.558 1.0 41.31 ? 40 A 10 +ATOM 598 C CA . GLY A 1 40 ? -26.046 2.224 -22.689 1.0 23.2 ? 40 A 10 +ATOM 599 C C . GLY A 1 40 ? -26.269 3.103 -23.904 1.0 54.31 ? 40 A 10 +ATOM 600 O O . GLY A 1 40 ? -27.31 3.02 -24.556 1.0 62.35 ? 40 A 10 +ATOM 601 H H . GLY A 1 40 ? -24.677 3.46 -21.65 1.0 1.31 ? 40 A 10 +ATOM 602 H HA2 . GLY A 1 40 ? -25.352 1.439 -22.948 1.0 42.33 ? 40 A 10 +ATOM 603 H HA3 . GLY A 1 40 ? -26.988 1.779 -22.404 1.0 42.25 ? 40 A 10 +ATOM 604 N N . ILE A 1 41 ? -25.29 3.949 -24.208 1.0 11.45 ? 41 A 10 +ATOM 605 C CA . ILE A 1 41 ? -25.385 4.847 -25.352 1.0 13.21 ? 41 A 10 +ATOM 606 C C . ILE A 1 41 ? -24.237 4.617 -26.328 1.0 73.14 ? 41 A 10 +ATOM 607 O O . ILE A 1 41 ? -23.176 4.105 -25.968 1.0 54.03 ? 41 A 10 +ATOM 608 C CB . ILE A 1 41 ? -25.381 6.323 -24.91 1.0 13.54 ? 41 A 10 +ATOM 609 C CG1 . ILE A 1 41 ? -24.33 6.549 -23.821 1.0 35.25 ? 41 A 10 +ATOM 610 C CG2 . ILE A 1 41 ? -26.76 6.732 -24.416 1.0 15.54 ? 41 A 10 +ATOM 611 C CD1 . ILE A 1 41 ? -23.651 7.898 -23.908 1.0 51.21 ? 41 A 10 +ATOM 612 H H . ILE A 1 41 ? -24.485 3.969 -23.65 1.0 10.31 ? 41 A 10 +ATOM 613 H HA . ILE A 1 41 ? -26.319 4.646 -25.857 1.0 22.4 ? 41 A 10 +ATOM 614 H HB . ILE A 1 41 ? -25.137 6.931 -25.768 1.0 2.22 ? 41 A 10 +ATOM 615 H HG12 . ILE A 1 41 ? -24.802 6.477 -22.854 1.0 53.25 ? 41 A 10 +ATOM 616 H HG13 . ILE A 1 41 ? -23.568 5.787 -23.903 1.0 73.21 ? 41 A 10 +ATOM 617 H HG21 . ILE A 1 41 ? -26.78 6.7 -23.337 1.0 41.34 ? 41 A 10 +ATOM 618 H HG22 . ILE A 1 41 ? -26.979 7.735 -24.75 1.0 35.01 ? 41 A 10 +ATOM 619 H HG23 . ILE A 1 41 ? -27.501 6.052 -24.81 1.0 24.24 ? 41 A 10 +ATOM 620 H HD11 . ILE A 1 41 ? -23.533 8.176 -24.946 1.0 13.35 ? 41 A 10 +ATOM 621 H HD12 . ILE A 1 41 ? -24.256 8.639 -23.405 1.0 5.02 ? 41 A 10 +ATOM 622 H HD13 . ILE A 1 41 ? -22.681 7.844 -23.438 1.0 73.01 ? 41 A 10 +ATOM 623 N N . PRO A 1 42 ? -24.45 5.004 -27.594 1.0 42.01 ? 42 A 10 +ATOM 624 C CA . PRO A 1 42 ? -23.444 4.852 -28.649 1.0 63.34 ? 42 A 10 +ATOM 625 C C . PRO A 1 42 ? -22.258 5.792 -28.458 1.0 4.23 ? 42 A 10 +ATOM 626 O O . PRO A 1 42 ? -22.393 7.015 -28.484 1.0 21.54 ? 42 A 10 +ATOM 627 C CB . PRO A 1 42 ? -24.21 5.211 -29.925 1.0 63.45 ? 42 A 10 +ATOM 628 C CG . PRO A 1 42 ? -25.312 6.103 -29.467 1.0 31.23 ? 42 A 10 +ATOM 629 C CD . PRO A 1 42 ? -25.691 5.621 -28.094 1.0 52.22 ? 42 A 10 +ATOM 630 H HA . PRO A 1 42 ? -23.088 3.834 -28.714 1.0 60.32 ? 42 A 10 +ATOM 631 H HB2 . PRO A 1 42 ? -23.549 5.719 -30.613 1.0 50.23 ? 42 A 10 +ATOM 632 H HB3 . PRO A 1 42 ? -24.594 4.312 -30.383 1.0 64.01 ? 42 A 10 +ATOM 633 H HG2 . PRO A 1 42 ? -24.964 7.124 -29.424 1.0 0.11 ? 42 A 10 +ATOM 634 H HG3 . PRO A 1 42 ? -26.154 6.019 -30.138 1.0 1.1 ? 42 A 10 +ATOM 635 H HD2 . PRO A 1 42 ? -25.986 6.452 -27.471 1.0 11.32 ? 42 A 10 +ATOM 636 H HD3 . PRO A 1 42 ? -26.485 4.892 -28.155 1.0 34.03 ? 42 A 10 +ATOM 637 N N . PRO A 1 43 ? -21.066 5.209 -28.262 1.0 1.41 ? 43 A 10 +ATOM 638 C CA . PRO A 1 43 ? -19.832 5.976 -28.064 1.0 62.53 ? 43 A 10 +ATOM 639 C C . PRO A 1 43 ? -19.384 6.69 -29.334 1.0 21.35 ? 43 A 10 +ATOM 640 O O . PRO A 1 43 ? -18.741 7.739 -29.274 1.0 73.42 ? 43 A 10 +ATOM 641 C CB . PRO A 1 43 ? -18.811 4.909 -27.662 1.0 74.43 ? 43 A 10 +ATOM 642 C CG . PRO A 1 43 ? -19.331 3.645 -28.255 1.0 42.11 ? 43 A 10 +ATOM 643 C CD . PRO A 1 43 ? -20.83 3.756 -28.219 1.0 32.53 ? 43 A 10 +ATOM 644 H HA . PRO A 1 43 ? -19.937 6.696 -27.265 1.0 3.1 ? 43 A 10 +ATOM 645 H HB2 . PRO A 1 43 ? -17.841 5.165 -28.063 1.0 1.2 ? 43 A 10 +ATOM 646 H HB3 . PRO A 1 43 ? -18.756 4.845 -26.585 1.0 52.2 ? 43 A 10 +ATOM 647 H HG2 . PRO A 1 43 ? -18.986 3.549 -29.273 1.0 21.5 ? 43 A 10 +ATOM 648 H HG3 . PRO A 1 43 ? -19.004 2.801 -27.666 1.0 41.32 ? 43 A 10 +ATOM 649 H HD2 . PRO A 1 43 ? -21.265 3.269 -29.079 1.0 55.24 ? 43 A 10 +ATOM 650 H HD3 . PRO A 1 43 ? -21.218 3.33 -27.305 1.0 31.14 ? 43 A 10 +ATOM 651 N N . ASP A 1 44 ? -19.727 6.117 -30.482 1.0 54.12 ? 44 A 10 +ATOM 652 C CA . ASP A 1 44 ? -19.361 6.7 -31.768 1.0 51.34 ? 44 A 10 +ATOM 653 C C . ASP A 1 44 ? -20.286 7.86 -32.122 1.0 65.34 ? 44 A 10 +ATOM 654 O O . ASP A 1 44 ? -19.986 8.657 -33.01 1.0 41.23 ? 44 A 10 +ATOM 655 C CB . ASP A 1 44 ? -19.41 5.638 -32.867 1.0 23.35 ? 44 A 10 +ATOM 656 C CG . ASP A 1 44 ? -18.699 6.079 -34.131 1.0 52.14 ? 44 A 10 +ATOM 657 O OD1 . ASP A 1 44 ? -17.656 6.756 -34.019 1.0 70.43 ? 44 A 10 +ATOM 658 O OD2 . ASP A 1 44 ? -19.187 5.748 -35.232 1.0 15.14 ? 44 A 10 +ATOM 659 H H . ASP A 1 44 ? -20.24 5.282 -30.465 1.0 64.31 ? 44 A 10 +ATOM 660 H HA . ASP A 1 44 ? -18.351 7.074 -31.686 1.0 72.42 ? 44 A 10 +ATOM 661 H HB2 . ASP A 1 44 ? -18.938 4.735 -32.507 1.0 64.21 ? 44 A 10 +ATOM 662 H HB3 . ASP A 1 44 ? -20.441 5.428 -33.109 1.0 74.33 ? 44 A 10 +ATOM 663 N N . GLN A 1 45 ? -21.413 7.946 -31.422 1.0 24.51 ? 45 A 10 +ATOM 664 C CA . GLN A 1 45 ? -22.384 9.007 -31.665 1.0 55.1 ? 45 A 10 +ATOM 665 C C . GLN A 1 45 ? -22.256 10.11 -30.62 1.0 65.33 ? 45 A 10 +ATOM 666 O O . GLN A 1 45 ? -22.82 11.193 -30.776 1.0 0.12 ? 45 A 10 +ATOM 667 C CB . GLN A 1 45 ? -23.804 8.44 -31.654 1.0 3.33 ? 45 A 10 +ATOM 668 C CG . GLN A 1 45 ? -24.261 7.917 -33.007 1.0 71.05 ? 45 A 10 +ATOM 669 C CD . GLN A 1 45 ? -25.17 6.709 -32.889 1.0 50.21 ? 45 A 10 +ATOM 670 O OE1 . GLN A 1 45 ? -26.386 6.845 -32.747 1.0 30.33 ? 45 A 10 +ATOM 671 N NE2 . GLN A 1 45 ? -24.584 5.519 -32.947 1.0 54.11 ? 45 A 10 +ATOM 672 H H . GLN A 1 45 ? -21.597 7.28 -30.728 1.0 33.14 ? 45 A 10 +ATOM 673 H HA . GLN A 1 45 ? -22.18 9.425 -32.639 1.0 54.13 ? 45 A 10 +ATOM 674 H HB2 . GLN A 1 45 ? -23.85 7.628 -30.944 1.0 72.22 ? 45 A 10 +ATOM 675 H HB3 . GLN A 1 45 ? -24.487 9.217 -31.344 1.0 51.24 ? 45 A 10 +ATOM 676 H HG2 . GLN A 1 45 ? -24.796 8.702 -33.52 1.0 11.31 ? 45 A 10 +ATOM 677 H HG3 . GLN A 1 45 ? -23.39 7.639 -33.583 1.0 33.23 ? 45 A 10 +ATOM 678 H HE21 . GLN A 1 45 ? -23.611 5.488 -33.06 1.0 35.4 ? 45 A 10 +ATOM 679 H HE22 . GLN A 1 45 ? -25.148 4.722 -32.873 1.0 53.4 ? 45 A 10 +ATOM 680 N N . GLN A 1 46 ? -21.512 9.827 -29.555 1.0 5.34 ? 46 A 10 +ATOM 681 C CA . GLN A 1 46 ? -21.313 10.796 -28.484 1.0 54.21 ? 46 A 10 +ATOM 682 C C . GLN A 1 46 ? -19.903 11.378 -28.532 1.0 23.33 ? 46 A 10 +ATOM 683 O O . GLN A 1 46 ? -18.989 10.769 -29.089 1.0 42.0 ? 46 A 10 +ATOM 684 C CB . GLN A 1 46 ? -21.562 10.143 -27.124 1.0 54.1 ? 46 A 10 +ATOM 685 C CG . GLN A 1 46 ? -20.639 8.97 -26.834 1.0 63.33 ? 46 A 10 +ATOM 686 C CD . GLN A 1 46 ? -19.791 9.186 -25.597 1.0 73.34 ? 46 A 10 +ATOM 687 O OE1 . GLN A 1 46 ? -20.041 8.594 -24.547 1.0 62.34 ? 46 A 10 +ATOM 688 N NE2 . GLN A 1 46 ? -18.779 10.038 -25.714 1.0 52.51 ? 46 A 10 +ATOM 689 H H . GLN A 1 46 ? -21.089 8.947 -29.488 1.0 61.13 ? 46 A 10 +ATOM 690 H HA . GLN A 1 46 ? -22.023 11.597 -28.625 1.0 1.54 ? 46 A 10 +ATOM 691 H HB2 . GLN A 1 46 ? -21.421 10.884 -26.351 1.0 70.34 ? 46 A 10 +ATOM 692 H HB3 . GLN A 1 46 ? -22.581 9.788 -27.089 1.0 24.41 ? 46 A 10 +ATOM 693 H HG2 . GLN A 1 46 ? -21.24 8.084 -26.689 1.0 71.34 ? 46 A 10 +ATOM 694 H HG3 . GLN A 1 46 ? -19.985 8.826 -27.681 1.0 12.44 ? 46 A 10 +ATOM 695 H HE21 . GLN A 1 46 ? -18.64 10.475 -26.581 1.0 61.21 ? 46 A 10 +ATOM 696 H HE22 . GLN A 1 46 ? -18.215 10.198 -24.93 1.0 54.41 ? 46 A 10 +ATOM 697 N N . ARG A 1 47 ? -19.735 12.558 -27.946 1.0 11.31 ? 47 A 10 +ATOM 698 C CA . ARG A 1 47 ? -18.438 13.222 -27.923 1.0 74.42 ? 47 A 10 +ATOM 699 C C . ARG A 1 47 ? -18.226 13.957 -26.603 1.0 0.05 ? 47 A 10 +ATOM 700 O O . ARG A 1 47 ? -19.176 14.206 -25.859 1.0 62.43 ? 47 A 10 +ATOM 701 C CB . ARG A 1 47 ? -18.323 14.205 -29.09 1.0 53.24 ? 47 A 10 +ATOM 702 C CG . ARG A 1 47 ? -18.388 13.54 -30.455 1.0 25.13 ? 47 A 10 +ATOM 703 C CD . ARG A 1 47 ? -19.808 13.521 -30.998 1.0 74.31 ? 47 A 10 +ATOM 704 N NE . ARG A 1 47 ? -19.933 12.663 -32.173 1.0 72.02 ? 47 A 10 +ATOM 705 C CZ . ARG A 1 47 ? -19.569 13.033 -33.396 1.0 4.33 ? 47 A 10 +ATOM 706 N NH1 . ARG A 1 47 ? -19.06 14.239 -33.603 1.0 22.33 ? 47 A 10 +ATOM 707 N NH2 . ARG A 1 47 ? -19.714 12.195 -34.415 1.0 24.44 ? 47 A 10 +ATOM 708 H H . ARG A 1 47 ? -20.502 12.994 -27.519 1.0 14.32 ? 47 A 10 +ATOM 709 H HA . ARG A 1 47 ? -17.675 12.465 -28.026 1.0 52.1 ? 47 A 10 +ATOM 710 H HB2 . ARG A 1 47 ? -19.13 14.92 -29.024 1.0 12.43 ? 47 A 10 +ATOM 711 H HB3 . ARG A 1 47 ? -17.382 14.728 -29.013 1.0 31.22 ? 47 A 10 +ATOM 712 H HG2 . ARG A 1 47 ? -17.759 14.087 -31.142 1.0 2.15 ? 47 A 10 +ATOM 713 H HG3 . ARG A 1 47 ? -18.032 12.525 -30.367 1.0 3.22 ? 47 A 10 +ATOM 714 H HD2 . ARG A 1 47 ? -20.47 13.157 -30.227 1.0 62.34 ? 47 A 10 +ATOM 715 H HD3 . ARG A 1 47 ? -20.09 14.528 -31.268 1.0 4.32 ? 47 A 10 +ATOM 716 H HE . ARG A 1 47 ? -20.307 11.767 -32.043 1.0 51.12 ? 47 A 10 +ATOM 717 H HH11 . ARG A 1 47 ? -18.948 14.872 -32.837 1.0 35.02 ? 47 A 10 +ATOM 718 H HH12 . ARG A 1 47 ? -18.785 14.515 -34.524 1.0 42.25 ? 47 A 10 +ATOM 719 H HH21 . ARG A 1 47 ? -20.097 11.285 -34.263 1.0 32.54 ? 47 A 10 +ATOM 720 H HH22 . ARG A 1 47 ? -19.44 12.474 -35.334 1.0 51.04 ? 47 A 10 +ATOM 721 N N . LEU A 1 48 ? -16.975 14.302 -26.317 1.0 13.42 ? 48 A 10 +ATOM 722 C CA . LEU A 1 48 ? -16.638 15.008 -25.086 1.0 63.04 ? 48 A 10 +ATOM 723 C C . LEU A 1 48 ? -16.316 16.472 -25.369 1.0 70.54 ? 48 A 10 +ATOM 724 O O . LEU A 1 48 ? -15.748 16.803 -26.41 1.0 13.22 ? 48 A 10 +ATOM 725 C CB . LEU A 1 48 ? -15.447 14.336 -24.4 1.0 73.22 ? 48 A 10 +ATOM 726 C CG . LEU A 1 48 ? -15.363 12.816 -24.538 1.0 23.01 ? 48 A 10 +ATOM 727 C CD1 . LEU A 1 48 ? -16.741 12.189 -24.389 1.0 2.23 ? 48 A 10 +ATOM 728 C CD2 . LEU A 1 48 ? -14.744 12.435 -25.875 1.0 62.5 ? 48 A 10 +ATOM 729 H H . LEU A 1 48 ? -16.261 14.077 -26.949 1.0 13.1 ? 48 A 10 +ATOM 730 H HA . LEU A 1 48 ? -17.495 14.96 -24.431 1.0 5.14 ? 48 A 10 +ATOM 731 H HB2 . LEU A 1 48 ? -14.545 14.756 -24.816 1.0 14.35 ? 48 A 10 +ATOM 732 H HB3 . LEU A 1 48 ? -15.498 14.571 -23.346 1.0 62.22 ? 48 A 10 +ATOM 733 H HG . LEU A 1 48 ? -14.732 12.423 -23.752 1.0 74.12 ? 48 A 10 +ATOM 734 H HD11 . LEU A 1 48 ? -17.377 12.849 -23.819 1.0 72.12 ? 48 A 10 +ATOM 735 H HD12 . LEU A 1 48 ? -16.652 11.243 -23.876 1.0 51.52 ? 48 A 10 +ATOM 736 H HD13 . LEU A 1 48 ? -17.171 12.029 -25.367 1.0 50.13 ? 48 A 10 +ATOM 737 H HD21 . LEU A 1 48 ? -14.196 11.51 -25.768 1.0 32.51 ? 48 A 10 +ATOM 738 H HD22 . LEU A 1 48 ? -14.071 13.217 -26.195 1.0 4.35 ? 48 A 10 +ATOM 739 H HD23 . LEU A 1 48 ? -15.525 12.309 -26.611 1.0 44.23 ? 48 A 10 +ATOM 740 N N . ILE A 1 49 ? -16.682 17.343 -24.435 1.0 13.31 ? 49 A 10 +ATOM 741 C CA . ILE A 1 49 ? -16.429 18.771 -24.582 1.0 13.25 ? 49 A 10 +ATOM 742 C C . ILE A 1 49 ? -15.989 19.391 -23.26 1.0 73.24 ? 49 A 10 +ATOM 743 O O . ILE A 1 49 ? -16.67 19.258 -22.243 1.0 20.41 ? 49 A 10 +ATOM 744 C CB . ILE A 1 49 ? -17.678 19.514 -25.094 1.0 42.12 ? 49 A 10 +ATOM 745 C CG1 . ILE A 1 49 ? -17.681 19.557 -26.623 1.0 21.4 ? 49 A 10 +ATOM 746 C CG2 . ILE A 1 49 ? -17.73 20.922 -24.519 1.0 44.11 ? 49 A 10 +ATOM 747 C CD1 . ILE A 1 49 ? -18.967 19.05 -27.239 1.0 30.32 ? 49 A 10 +ATOM 748 H H . ILE A 1 49 ? -17.131 17.018 -23.627 1.0 11.12 ? 49 A 10 +ATOM 749 H HA . ILE A 1 49 ? -15.638 18.897 -25.307 1.0 31.54 ? 49 A 10 +ATOM 750 H HB . ILE A 1 49 ? -18.552 18.98 -24.753 1.0 10.22 ? 49 A 10 +ATOM 751 H HG12 . ILE A 1 49 ? -17.537 20.575 -26.949 1.0 52.53 ? 49 A 10 +ATOM 752 H HG13 . ILE A 1 49 ? -16.871 18.946 -26.995 1.0 23.14 ? 49 A 10 +ATOM 753 H HG21 . ILE A 1 49 ? -16.75 21.371 -24.58 1.0 54.41 ? 49 A 10 +ATOM 754 H HG22 . ILE A 1 49 ? -18.433 21.515 -25.084 1.0 2.4 ? 49 A 10 +ATOM 755 H HG23 . ILE A 1 49 ? -18.042 20.878 -23.486 1.0 53.42 ? 49 A 10 +ATOM 756 H HD11 . ILE A 1 49 ? -19.801 19.328 -26.61 1.0 43.14 ? 49 A 10 +ATOM 757 H HD12 . ILE A 1 49 ? -19.094 19.487 -28.218 1.0 61.33 ? 49 A 10 +ATOM 758 H HD13 . ILE A 1 49 ? -18.926 17.975 -27.326 1.0 3.14 ? 49 A 10 +ATOM 759 N N . PHE A 1 50 ? -14.847 20.07 -23.283 1.0 0.44 ? 50 A 10 +ATOM 760 C CA . PHE A 1 50 ? -14.316 20.712 -22.086 1.0 63.4 ? 50 A 10 +ATOM 761 C C . PHE A 1 50 ? -13.979 22.175 -22.358 1.0 34.31 ? 50 A 10 +ATOM 762 O O . PHE A 1 50 ? -13.167 22.486 -23.229 1.0 24.03 ? 50 A 10 +ATOM 763 C CB . PHE A 1 50 ? -13.069 19.973 -21.596 1.0 1.31 ? 50 A 10 +ATOM 764 C CG . PHE A 1 50 ? -12.754 20.223 -20.149 1.0 63.44 ? 50 A 10 +ATOM 765 C CD1 . PHE A 1 50 ? -12.429 21.496 -19.707 1.0 63.22 ? 50 A 10 +ATOM 766 C CD2 . PHE A 1 50 ? -12.783 19.187 -19.23 1.0 31.12 ? 50 A 10 +ATOM 767 C CE1 . PHE A 1 50 ? -12.138 21.729 -18.376 1.0 44.05 ? 50 A 10 +ATOM 768 C CE2 . PHE A 1 50 ? -12.493 19.414 -17.898 1.0 53.14 ? 50 A 10 +ATOM 769 C CZ . PHE A 1 50 ? -12.171 20.687 -17.47 1.0 64.24 ? 50 A 10 +ATOM 770 H H . PHE A 1 50 ? -14.349 20.141 -24.124 1.0 32.43 ? 50 A 10 +ATOM 771 H HA . PHE A 1 50 ? -15.075 20.666 -21.321 1.0 55.42 ? 50 A 10 +ATOM 772 H HB2 . PHE A 1 50 ? -13.215 18.911 -21.724 1.0 72.21 ? 50 A 10 +ATOM 773 H HB3 . PHE A 1 50 ? -12.219 20.288 -22.181 1.0 52.42 ? 50 A 10 +ATOM 774 H HD1 . PHE A 1 50 ? -12.404 22.312 -20.414 1.0 64.41 ? 50 A 10 +ATOM 775 H HD2 . PHE A 1 50 ? -13.035 18.19 -19.564 1.0 25.0 ? 50 A 10 +ATOM 776 H HE1 . PHE A 1 50 ? -11.887 22.725 -18.045 1.0 33.34 ? 50 A 10 +ATOM 777 H HE2 . PHE A 1 50 ? -12.519 18.596 -17.192 1.0 34.14 ? 50 A 10 +ATOM 778 H HZ . PHE A 1 50 ? -11.943 20.866 -16.43 1.0 42.2 ? 50 A 10 +ATOM 779 N N . GLY A 1 51 ? -14.61 23.072 -21.605 1.0 53.44 ? 51 A 10 +ATOM 780 C CA . GLY A 1 51 ? -14.365 24.491 -21.78 1.0 33.5 ? 51 A 10 +ATOM 781 C C . GLY A 1 51 ? -14.886 25.011 -23.105 1.0 34.32 ? 51 A 10 +ATOM 782 O O . GLY A 1 51 ? -14.634 26.157 -23.473 1.0 0.02 ? 51 A 10 +ATOM 783 H H . GLY A 1 51 ? -15.247 22.766 -20.926 1.0 14.34 ? 51 A 10 +ATOM 784 H HA2 . GLY A 1 51 ? -14.849 25.03 -20.979 1.0 71.3 ? 51 A 10 +ATOM 785 H HA3 . GLY A 1 51 ? -13.301 24.67 -21.73 1.0 2.33 ? 51 A 10 +ATOM 786 N N . GLY A 1 52 ? -15.615 24.163 -23.826 1.0 51.33 ? 52 A 10 +ATOM 787 C CA . GLY A 1 52 ? -16.159 24.561 -25.111 1.0 70.11 ? 52 A 10 +ATOM 788 C C . GLY A 1 52 ? -15.558 23.779 -26.263 1.0 64.35 ? 52 A 10 +ATOM 789 O O . GLY A 1 52 ? -16.209 23.567 -27.286 1.0 21.12 ? 52 A 10 +ATOM 790 H H . GLY A 1 52 ? -15.784 23.261 -23.483 1.0 52.33 ? 52 A 10 +ATOM 791 H HA2 . GLY A 1 52 ? -17.227 24.404 -25.102 1.0 34.31 ? 52 A 10 +ATOM 792 H HA3 . GLY A 1 52 ? -15.962 25.612 -25.264 1.0 33.12 ? 52 A 10 +ATOM 793 N N . LYS A 1 53 ? -14.311 23.351 -26.097 1.0 4.12 ? 53 A 10 +ATOM 794 C CA . LYS A 1 53 ? -13.621 22.588 -27.131 1.0 20.15 ? 53 A 10 +ATOM 795 C C . LYS A 1 53 ? -13.776 21.089 -26.896 1.0 12.34 ? 53 A 10 +ATOM 796 O O . LYS A 1 53 ? -13.843 20.635 -25.754 1.0 53.3 ? 53 A 10 +ATOM 797 C CB . LYS A 1 53 ? -12.136 22.959 -27.161 1.0 12.13 ? 53 A 10 +ATOM 798 C CG . LYS A 1 53 ? -11.449 22.828 -25.813 1.0 34.42 ? 53 A 10 +ATOM 799 C CD . LYS A 1 53 ? -10.844 21.446 -25.628 1.0 44.0 ? 53 A 10 +ATOM 800 C CE . LYS A 1 53 ? -9.721 21.191 -26.621 1.0 75.53 ? 53 A 10 +ATOM 801 N NZ . LYS A 1 53 ? -8.58 20.469 -25.994 1.0 61.53 ? 53 A 10 +ATOM 802 H H . LYS A 1 53 ? -13.844 23.551 -25.259 1.0 32.12 ? 53 A 10 +ATOM 803 H HA . LYS A 1 53 ? -14.066 22.839 -28.082 1.0 74.23 ? 53 A 10 +ATOM 804 H HB2 . LYS A 1 53 ? -11.631 22.314 -27.865 1.0 34.02 ? 53 A 10 +ATOM 805 H HB3 . LYS A 1 53 ? -12.041 23.984 -27.492 1.0 32.22 ? 53 A 10 +ATOM 806 H HG2 . LYS A 1 53 ? -10.662 23.565 -25.748 1.0 24.24 ? 53 A 10 +ATOM 807 H HG3 . LYS A 1 53 ? -12.174 23.002 -25.031 1.0 53.0 ? 53 A 10 +ATOM 808 H HD2 . LYS A 1 53 ? -10.449 21.367 -24.626 1.0 22.42 ? 53 A 10 +ATOM 809 H HD3 . LYS A 1 53 ? -11.616 20.703 -25.772 1.0 0.05 ? 53 A 10 +ATOM 810 H HE2 . LYS A 1 53 ? -10.107 20.599 -27.436 1.0 25.2 ? 53 A 10 +ATOM 811 H HE3 . LYS A 1 53 ? -9.371 22.14 -27.0 1.0 75.24 ? 53 A 10 +ATOM 812 H HZ1 . LYS A 1 53 ? -7.729 20.563 -26.584 1.0 1.33 ? 53 A 10 +ATOM 813 H HZ2 . LYS A 1 53 ? -8.809 19.459 -25.893 1.0 14.14 ? 53 A 10 +ATOM 814 H HZ3 . LYS A 1 53 ? -8.381 20.863 -25.053 1.0 31.25 ? 53 A 10 +ATOM 815 N N . GLN A 1 54 ? -13.83 20.327 -27.983 1.0 32.1 ? 54 A 10 +ATOM 816 C CA . GLN A 1 54 ? -13.976 18.879 -27.894 1.0 3.14 ? 54 A 10 +ATOM 817 C C . GLN A 1 54 ? -12.679 18.229 -27.423 1.0 14.5 ? 54 A 10 +ATOM 818 O O . GLN A 1 54 ? -11.622 18.861 -27.415 1.0 22.04 ? 54 A 10 +ATOM 819 C CB . GLN A 1 54 ? -14.386 18.302 -29.25 1.0 14.03 ? 54 A 10 +ATOM 820 C CG . GLN A 1 54 ? -15.837 17.852 -29.306 1.0 52.41 ? 54 A 10 +ATOM 821 C CD . GLN A 1 54 ? -16.29 17.515 -30.713 1.0 44.23 ? 54 A 10 +ATOM 822 O OE1 . GLN A 1 54 ? -17.342 17.97 -31.165 1.0 25.33 ? 54 A 10 +ATOM 823 N NE2 . GLN A 1 54 ? -15.496 16.715 -31.415 1.0 63.1 ? 54 A 10 +ATOM 824 H H . GLN A 1 54 ? -13.77 20.748 -28.865 1.0 52.11 ? 54 A 10 +ATOM 825 H HA . GLN A 1 54 ? -14.752 18.668 -27.174 1.0 62.04 ? 54 A 10 +ATOM 826 H HB2 . GLN A 1 54 ? -14.235 19.054 -30.009 1.0 31.24 ? 54 A 10 +ATOM 827 H HB3 . GLN A 1 54 ? -13.76 17.45 -29.469 1.0 25.42 ? 54 A 10 +ATOM 828 H HG2 . GLN A 1 54 ? -15.953 16.975 -28.687 1.0 52.11 ? 54 A 10 +ATOM 829 H HG3 . GLN A 1 54 ? -16.461 18.646 -28.923 1.0 53.52 ? 54 A 10 +ATOM 830 H HE21 . GLN A 1 54 ? -14.675 16.39 -30.989 1.0 45.55 ? 54 A 10 +ATOM 831 H HE22 . GLN A 1 54 ? -15.765 16.48 -32.326 1.0 62.42 ? 54 A 10 +ATOM 832 N N . LEU A 1 55 ? -12.766 16.963 -27.03 1.0 51.34 ? 55 A 10 +ATOM 833 C CA . LEU A 1 55 ? -11.599 16.226 -26.557 1.0 40.45 ? 55 A 10 +ATOM 834 C C . LEU A 1 55 ? -11.26 15.078 -27.502 1.0 63.5 ? 55 A 10 +ATOM 835 O O . LEU A 1 55 ? -12.112 14.248 -27.815 1.0 52.11 ? 55 A 10 +ATOM 836 C CB . LEU A 1 55 ? -11.85 15.685 -25.148 1.0 25.03 ? 55 A 10 +ATOM 837 C CG . LEU A 1 55 ? -12.291 16.711 -24.104 1.0 41.33 ? 55 A 10 +ATOM 838 C CD1 . LEU A 1 55 ? -12.344 16.078 -22.722 1.0 33.24 ? 55 A 10 +ATOM 839 C CD2 . LEU A 1 55 ? -11.354 17.911 -24.106 1.0 52.23 ? 55 A 10 +ATOM 840 H H . LEU A 1 55 ? -13.635 16.512 -27.059 1.0 12.34 ? 55 A 10 +ATOM 841 H HA . LEU A 1 55 ? -10.765 16.911 -26.527 1.0 22.21 ? 55 A 10 +ATOM 842 H HB2 . LEU A 1 55 ? -12.619 14.931 -25.216 1.0 55.1 ? 55 A 10 +ATOM 843 H HB3 . LEU A 1 55 ? -10.933 15.231 -24.801 1.0 51.11 ? 55 A 10 +ATOM 844 H HG . LEU A 1 55 ? -13.284 17.061 -24.348 1.0 72.12 ? 55 A 10 +ATOM 845 H HD11 . LEU A 1 55 ? -11.383 15.647 -22.486 1.0 32.04 ? 55 A 10 +ATOM 846 H HD12 . LEU A 1 55 ? -13.098 15.305 -22.71 1.0 44.35 ? 55 A 10 +ATOM 847 H HD13 . LEU A 1 55 ? -12.591 16.832 -21.989 1.0 32.21 ? 55 A 10 +ATOM 848 H HD21 . LEU A 1 55 ? -10.482 17.685 -24.701 1.0 33.14 ? 55 A 10 +ATOM 849 H HD22 . LEU A 1 55 ? -11.052 18.133 -23.093 1.0 72.01 ? 55 A 10 +ATOM 850 H HD23 . LEU A 1 55 ? -11.866 18.766 -24.525 1.0 74.33 ? 55 A 10 +ATOM 851 N N . GLU A 1 56 ? -10.009 15.037 -27.95 1.0 12.02 ? 56 A 10 +ATOM 852 C CA . GLU A 1 56 ? -9.557 13.99 -28.858 1.0 31.33 ? 56 A 10 +ATOM 853 C C . GLU A 1 56 ? -9.589 12.626 -28.174 1.0 62.51 ? 56 A 10 +ATOM 854 O O . GLU A 1 56 ? -10.042 12.501 -27.036 1.0 51.02 ? 56 A 10 +ATOM 855 C CB . GLU A 1 56 ? -8.142 14.29 -29.355 1.0 62.01 ? 56 A 10 +ATOM 856 C CG . GLU A 1 56 ? -7.99 15.677 -29.957 1.0 21.02 ? 56 A 10 +ATOM 857 C CD . GLU A 1 56 ? -6.767 15.796 -30.846 1.0 1.0 ? 56 A 10 +ATOM 858 O OE1 . GLU A 1 56 ? -6.055 14.785 -31.016 1.0 61.34 ? 56 A 10 +ATOM 859 O OE2 . GLU A 1 56 ? -6.523 16.902 -31.373 1.0 22.01 ? 56 A 10 +ATOM 860 H H . GLU A 1 56 ? -9.375 15.728 -27.664 1.0 72.43 ? 56 A 10 +ATOM 861 H HA . GLU A 1 56 ? -10.229 13.971 -29.703 1.0 4.21 ? 56 A 10 +ATOM 862 H HB2 . GLU A 1 56 ? -7.456 14.202 -28.526 1.0 41.11 ? 56 A 10 +ATOM 863 H HB3 . GLU A 1 56 ? -7.876 13.563 -30.109 1.0 51.02 ? 56 A 10 +ATOM 864 H HG2 . GLU A 1 56 ? -8.867 15.898 -30.546 1.0 71.31 ? 56 A 10 +ATOM 865 H HG3 . GLU A 1 56 ? -7.905 16.396 -29.156 1.0 60.44 ? 56 A 10 +ATOM 866 N N . ASP A 1 57 ? -9.106 11.607 -28.876 1.0 71.03 ? 57 A 10 +ATOM 867 C CA . ASP A 1 57 ? -9.078 10.252 -28.338 1.0 63.41 ? 57 A 10 +ATOM 868 C C . ASP A 1 57 ? -8.006 10.118 -27.261 1.0 21.4 ? 57 A 10 +ATOM 869 O O . ASP A 1 57 ? -8.102 9.264 -26.379 1.0 43.31 ? 57 A 10 +ATOM 870 C CB . ASP A 1 57 ? -8.823 9.241 -29.457 1.0 45.31 ? 57 A 10 +ATOM 871 C CG . ASP A 1 57 ? -9.769 9.423 -30.628 1.0 55.43 ? 57 A 10 +ATOM 872 O OD1 . ASP A 1 57 ? -9.522 10.325 -31.456 1.0 72.35 ? 57 A 10 +ATOM 873 O OD2 . ASP A 1 57 ? -10.756 8.664 -30.717 1.0 15.11 ? 57 A 10 +ATOM 874 H H . ASP A 1 57 ? -8.759 11.771 -29.779 1.0 23.12 ? 57 A 10 +ATOM 875 H HA . ASP A 1 57 ? -10.042 10.051 -27.896 1.0 62.14 ? 57 A 10 +ATOM 876 H HB2 . ASP A 1 57 ? -7.811 9.357 -29.815 1.0 24.44 ? 57 A 10 +ATOM 877 H HB3 . ASP A 1 57 ? -8.951 8.242 -29.066 1.0 64.03 ? 57 A 10 +ATOM 878 N N . SER A 1 58 ? -6.986 10.966 -27.339 1.0 32.51 ? 58 A 10 +ATOM 879 C CA . SER A 1 58 ? -5.893 10.938 -26.373 1.0 62.24 ? 58 A 10 +ATOM 880 C C . SER A 1 58 ? -5.931 12.171 -25.476 1.0 2.12 ? 58 A 10 +ATOM 881 O O . SER A 1 58 ? -5.049 12.373 -24.642 1.0 12.21 ? 58 A 10 +ATOM 882 C CB . SER A 1 58 ? -4.547 10.861 -27.097 1.0 65.11 ? 58 A 10 +ATOM 883 O OG . SER A 1 58 ? -3.482 10.704 -26.175 1.0 34.21 ? 58 A 10 +ATOM 884 H H . SER A 1 58 ? -6.966 11.624 -28.065 1.0 21.03 ? 58 A 10 +ATOM 885 H HA . SER A 1 58 ? -6.014 10.058 -25.761 1.0 33.55 ? 58 A 10 +ATOM 886 H HB2 . SER A 1 58 ? -4.551 10.017 -27.77 1.0 31.42 ? 58 A 10 +ATOM 887 H HB3 . SER A 1 58 ? -4.391 11.77 -27.659 1.0 40.4 ? 58 A 10 +ATOM 888 H HG . SER A 1 58 ? -2.75 11.27 -26.433 1.0 10.23 ? 58 A 10 +ATOM 889 N N . ASN A 1 59 ? -6.959 12.994 -25.653 1.0 35.41 ? 59 A 10 +ATOM 890 C CA . ASN A 1 59 ? -7.113 14.208 -24.86 1.0 52.34 ? 59 A 10 +ATOM 891 C C . ASN A 1 59 ? -7.797 13.906 -23.53 1.0 4.01 ? 59 A 10 +ATOM 892 O O . ASN A 1 59 ? -8.986 14.173 -23.358 1.0 42.21 ? 59 A 10 +ATOM 893 C CB . ASN A 1 59 ? -7.92 15.251 -25.637 1.0 21.1 ? 59 A 10 +ATOM 894 C CG . ASN A 1 59 ? -7.801 16.638 -25.037 1.0 14.54 ? 59 A 10 +ATOM 895 O OD1 . ASN A 1 59 ? -8.328 16.907 -23.957 1.0 24.42 ? 59 A 10 +ATOM 896 N ND2 . ASN A 1 59 ? -7.106 17.528 -25.736 1.0 14.44 ? 59 A 10 +ATOM 897 H H . ASN A 1 59 ? -7.631 12.78 -26.334 1.0 5.51 ? 59 A 10 +ATOM 898 H HA . ASN A 1 59 ? -6.127 14.602 -24.664 1.0 74.51 ? 59 A 10 +ATOM 899 H HB2 . ASN A 1 59 ? -7.562 15.288 -26.655 1.0 43.43 ? 59 A 10 +ATOM 900 H HB3 . ASN A 1 59 ? -8.961 14.966 -25.635 1.0 11.21 ? 59 A 10 +ATOM 901 H HD21 . ASN A 1 59 ? -6.715 17.243 -26.589 1.0 21.33 ? 59 A 10 +ATOM 902 H HD22 . ASN A 1 59 ? -7.013 18.432 -25.372 1.0 12.0 ? 59 A 10 +ATOM 903 N N . ALA A 1 60 ? -7.037 13.35 -22.593 1.0 13.11 ? 60 A 10 +ATOM 904 C CA . ALA A 1 60 ? -7.568 13.014 -21.278 1.0 35.51 ? 60 A 10 +ATOM 905 C C . ALA A 1 60 ? -6.457 12.565 -20.335 1.0 74.01 ? 60 A 10 +ATOM 906 O O . ALA A 1 60 ? -5.97 13.347 -19.518 1.0 74.24 ? 60 A 10 +ATOM 907 C CB . ALA A 1 60 ? -8.63 11.931 -21.398 1.0 64.13 ? 60 A 10 +ATOM 908 H H . ALA A 1 60 ? -6.096 13.161 -22.791 1.0 31.12 ? 60 A 10 +ATOM 909 H HA . ALA A 1 60 ? -8.036 13.899 -20.871 1.0 20.01 ? 60 A 10 +ATOM 910 H HB1 . ALA A 1 60 ? -8.199 11.056 -21.862 1.0 72.33 ? 60 A 10 +ATOM 911 H HB2 . ALA A 1 60 ? -8.996 11.675 -20.415 1.0 25.02 ? 60 A 10 +ATOM 912 H HB3 . ALA A 1 60 ? -9.447 12.295 -22.004 1.0 51.02 ? 60 A 10 +ATOM 913 N N . MET A 1 61 ? -6.061 11.302 -20.453 1.0 21.52 ? 61 A 10 +ATOM 914 C CA . MET A 1 61 ? -5.006 10.75 -19.611 1.0 32.03 ? 61 A 10 +ATOM 915 C C . MET A 1 61 ? -3.639 11.276 -20.037 1.0 55.14 ? 61 A 10 +ATOM 916 O O . MET A 1 61 ? -2.93 11.898 -19.246 1.0 73.23 ? 61 A 10 +ATOM 917 C CB . MET A 1 61 ? -5.021 9.222 -19.675 1.0 33.12 ? 61 A 10 +ATOM 918 C CG . MET A 1 61 ? -6.419 8.627 -19.685 1.0 10.31 ? 61 A 10 +ATOM 919 S SD . MET A 1 61 ? -7.479 9.322 -18.403 1.0 3.45 ? 61 A 10 +ATOM 920 C CE . MET A 1 61 ? -9.075 9.266 -19.215 1.0 11.34 ? 61 A 10 +ATOM 921 H H . MET A 1 61 ? -6.487 10.727 -21.123 1.0 44.35 ? 61 A 10 +ATOM 922 H HA . MET A 1 61 ? -5.198 11.061 -18.595 1.0 14.21 ? 61 A 10 +ATOM 923 H HB2 . MET A 1 61 ? -4.512 8.906 -20.574 1.0 14.23 ? 61 A 10 +ATOM 924 H HB3 . MET A 1 61 ? -4.494 8.832 -18.817 1.0 0.24 ? 61 A 10 +ATOM 925 H HG2 . MET A 1 61 ? -6.871 8.818 -20.647 1.0 62.14 ? 61 A 10 +ATOM 926 H HG3 . MET A 1 61 ? -6.343 7.56 -19.532 1.0 32.0 ? 61 A 10 +ATOM 927 H HE1 . MET A 1 61 ? -9.645 8.433 -18.83 1.0 54.23 ? 61 A 10 +ATOM 928 H HE2 . MET A 1 61 ? -9.608 10.185 -19.024 1.0 64.31 ? 61 A 10 +ATOM 929 H HE3 . MET A 1 61 ? -8.933 9.145 -20.278 1.0 24.11 ? 61 A 10 +ATOM 930 N N . SER A 1 62 ? -3.276 11.022 -21.29 1.0 73.15 ? 62 A 10 +ATOM 931 C CA . SER A 1 62 ? -1.992 11.466 -21.819 1.0 12.22 ? 62 A 10 +ATOM 932 C C . SER A 1 62 ? -1.85 12.98 -21.699 1.0 13.52 ? 62 A 10 +ATOM 933 O O . SER A 1 62 ? -0.751 13.498 -21.499 1.0 42.51 ? 62 A 10 +ATOM 934 C CB . SER A 1 62 ? -1.846 11.043 -23.282 1.0 62.33 ? 62 A 10 +ATOM 935 O OG . SER A 1 62 ? -1.165 9.805 -23.389 1.0 14.13 ? 62 A 10 +ATOM 936 H H . SER A 1 62 ? -3.886 10.521 -21.871 1.0 74.25 ? 62 A 10 +ATOM 937 H HA . SER A 1 62 ? -1.213 10.996 -21.237 1.0 74.15 ? 62 A 10 +ATOM 938 H HB2 . SER A 1 62 ? -2.825 10.941 -23.724 1.0 54.41 ? 62 A 10 +ATOM 939 H HB3 . SER A 1 62 ? -1.285 11.796 -23.817 1.0 23.45 ? 62 A 10 +ATOM 940 H HG . SER A 1 62 ? -0.635 9.799 -24.19 1.0 1.23 ? 62 A 10 +ATOM 941 N N . ASP A 1 63 ? -2.969 13.685 -21.822 1.0 34.33 ? 63 A 10 +ATOM 942 C CA . ASP A 1 63 ? -2.971 15.14 -21.727 1.0 10.21 ? 63 A 10 +ATOM 943 C C . ASP A 1 63 ? -2.497 15.595 -20.35 1.0 63.54 ? 63 A 10 +ATOM 944 O O . ASP A 1 63 ? -1.999 16.71 -20.191 1.0 31.33 ? 63 A 10 +ATOM 945 C CB . ASP A 1 63 ? -4.372 15.689 -22.004 1.0 21.1 ? 63 A 10 +ATOM 946 C CG . ASP A 1 63 ? -4.347 17.135 -22.457 1.0 12.2 ? 63 A 10 +ATOM 947 O OD1 . ASP A 1 63 ? -3.265 17.615 -22.854 1.0 53.24 ? 63 A 10 +ATOM 948 O OD2 . ASP A 1 63 ? -5.411 17.787 -22.416 1.0 3.13 ? 63 A 10 +ATOM 949 H H . ASP A 1 63 ? -3.815 13.215 -21.981 1.0 14.4 ? 63 A 10 +ATOM 950 H HA . ASP A 1 63 ? -2.291 15.522 -22.473 1.0 72.42 ? 63 A 10 +ATOM 951 H HB2 . ASP A 1 63 ? -4.837 15.096 -22.779 1.0 63.34 ? 63 A 10 +ATOM 952 H HB3 . ASP A 1 63 ? -4.962 15.622 -21.102 1.0 44.51 ? 63 A 10 +ATOM 953 N N . TYR A 1 64 ? -2.654 14.725 -19.359 1.0 43.15 ? 64 A 10 +ATOM 954 C CA . TYR A 1 64 ? -2.245 15.039 -17.995 1.0 74.44 ? 64 A 10 +ATOM 955 C C . TYR A 1 64 ? -3.274 15.933 -17.309 1.0 35.31 ? 64 A 10 +ATOM 956 O O . TYR A 1 64 ? -2.945 16.692 -16.399 1.0 63.11 ? 64 A 10 +ATOM 957 C CB . TYR A 1 64 ? -0.878 15.723 -17.995 1.0 41.31 ? 64 A 10 +ATOM 958 C CG . TYR A 1 64 ? 0.071 15.181 -16.95 1.0 35.31 ? 64 A 10 +ATOM 959 C CD1 . TYR A 1 64 ? -0.32 15.065 -15.622 1.0 10.21 ? 64 A 10 +ATOM 960 C CD2 . TYR A 1 64 ? 1.359 14.785 -17.29 1.0 61.0 ? 64 A 10 +ATOM 961 C CE1 . TYR A 1 64 ? 0.544 14.57 -14.663 1.0 31.32 ? 64 A 10 +ATOM 962 C CE2 . TYR A 1 64 ? 2.228 14.288 -16.339 1.0 3.01 ? 64 A 10 +ATOM 963 C CZ . TYR A 1 64 ? 1.816 14.183 -15.027 1.0 35.43 ? 64 A 10 +ATOM 964 O OH . TYR A 1 64 ? 2.68 13.69 -14.076 1.0 23.32 ? 64 A 10 +ATOM 965 H H . TYR A 1 64 ? -3.057 13.852 -19.548 1.0 10.22 ? 64 A 10 +ATOM 966 H HA . TYR A 1 64 ? -2.172 14.11 -17.449 1.0 40.51 ? 64 A 10 +ATOM 967 H HB2 . TYR A 1 64 ? -0.416 15.591 -18.961 1.0 75.32 ? 64 A 10 +ATOM 968 H HB3 . TYR A 1 64 ? -1.011 16.779 -17.806 1.0 32.34 ? 64 A 10 +ATOM 969 H HD1 . TYR A 1 64 ? -1.317 15.369 -15.34 1.0 1.35 ? 64 A 10 +ATOM 970 H HD2 . TYR A 1 64 ? 1.678 14.869 -18.319 1.0 32.41 ? 64 A 10 +ATOM 971 H HE1 . TYR A 1 64 ? 0.222 14.488 -13.636 1.0 52.21 ? 64 A 10 +ATOM 972 H HE2 . TYR A 1 64 ? 3.225 13.985 -16.624 1.0 43.14 ? 64 A 10 +ATOM 973 H HH . TYR A 1 64 ? 3.217 12.993 -14.462 1.0 23.33 ? 64 A 10 +ATOM 974 N N . ASN A 1 65 ? -4.523 15.836 -17.754 1.0 61.21 ? 65 A 10 +ATOM 975 C CA . ASN A 1 65 ? -5.601 16.635 -17.185 1.0 70.22 ? 65 A 10 +ATOM 976 C C . ASN A 1 65 ? -6.6 15.752 -16.443 1.0 21.44 ? 65 A 10 +ATOM 977 O O . ASN A 1 65 ? -7.697 16.191 -16.097 1.0 22.24 ? 65 A 10 +ATOM 978 C CB . ASN A 1 65 ? -6.318 17.421 -18.285 1.0 30.31 ? 65 A 10 +ATOM 979 C CG . ASN A 1 65 ? -7.157 18.556 -17.732 1.0 75.23 ? 65 A 10 +ATOM 980 O OD1 . ASN A 1 65 ? -8.372 18.426 -17.577 1.0 74.2 ? 65 A 10 +ATOM 981 N ND2 . ASN A 1 65 ? -6.512 19.677 -17.43 1.0 12.4 ? 65 A 10 +ATOM 982 H H . ASN A 1 65 ? -4.724 15.212 -18.483 1.0 72.01 ? 65 A 10 +ATOM 983 H HA . ASN A 1 65 ? -5.164 17.331 -16.484 1.0 43.44 ? 65 A 10 +ATOM 984 H HB2 . ASN A 1 65 ? -5.582 17.838 -18.958 1.0 12.24 ? 65 A 10 +ATOM 985 H HB3 . ASN A 1 65 ? -6.964 16.753 -18.834 1.0 73.02 ? 65 A 10 +ATOM 986 H HD21 . ASN A 1 65 ? -5.544 19.709 -17.58 1.0 23.44 ? 65 A 10 +ATOM 987 H HD22 . ASN A 1 65 ? -7.03 20.427 -17.07 1.0 32.24 ? 65 A 10 +ATOM 988 N N . VAL A 1 66 ? -6.212 14.503 -16.201 1.0 11.4 ? 66 A 10 +ATOM 989 C CA . VAL A 1 66 ? -7.072 13.558 -15.499 1.0 70.45 ? 66 A 10 +ATOM 990 C C . VAL A 1 66 ? -6.853 13.631 -13.992 1.0 73.11 ? 66 A 10 +ATOM 991 O O . VAL A 1 66 ? -5.731 13.477 -13.511 1.0 33.12 ? 66 A 10 +ATOM 992 C CB . VAL A 1 66 ? -6.823 12.114 -15.974 1.0 40.11 ? 66 A 10 +ATOM 993 C CG1 . VAL A 1 66 ? -5.395 11.689 -15.667 1.0 32.21 ? 66 A 10 +ATOM 994 C CG2 . VAL A 1 66 ? -7.821 11.163 -15.331 1.0 25.13 ? 66 A 10 +ATOM 995 H H . VAL A 1 66 ? -5.326 14.212 -16.502 1.0 25.31 ? 66 A 10 +ATOM 996 H HA . VAL A 1 66 ? -8.098 13.815 -15.717 1.0 44.24 ? 66 A 10 +ATOM 997 H HB . VAL A 1 66 ? -6.963 12.079 -17.044 1.0 65.05 ? 66 A 10 +ATOM 998 H HG11 . VAL A 1 66 ? -5.165 10.783 -16.208 1.0 62.5 ? 66 A 10 +ATOM 999 H HG12 . VAL A 1 66 ? -4.714 12.472 -15.967 1.0 4.5 ? 66 A 10 +ATOM 1000 H HG13 . VAL A 1 66 ? -5.294 11.51 -14.607 1.0 12.32 ? 66 A 10 +ATOM 1001 H HG21 . VAL A 1 66 ? -8.825 11.475 -15.576 1.0 23.4 ? 66 A 10 +ATOM 1002 H HG22 . VAL A 1 66 ? -7.653 10.162 -15.701 1.0 64.2 ? 66 A 10 +ATOM 1003 H HG23 . VAL A 1 66 ? -7.692 11.176 -14.258 1.0 74.31 ? 66 A 10 +ATOM 1004 N N . GLN A 1 67 ? -7.933 13.866 -13.254 1.0 5.43 ? 67 A 10 +ATOM 1005 C CA . GLN A 1 67 ? -7.859 13.959 -11.801 1.0 15.5 ? 67 A 10 +ATOM 1006 C C . GLN A 1 67 ? -8.794 12.95 -11.142 1.0 62.54 ? 67 A 10 +ATOM 1007 O O . GLN A 1 67 ? -9.456 12.166 -11.821 1.0 44.01 ? 67 A 10 +ATOM 1008 C CB . GLN A 1 67 ? -8.21 15.375 -11.341 1.0 35.11 ? 67 A 10 +ATOM 1009 C CG . GLN A 1 67 ? -9.647 15.773 -11.64 1.0 11.21 ? 67 A 10 +ATOM 1010 C CD . GLN A 1 67 ? -10.108 16.959 -10.817 1.0 34.44 ? 67 A 10 +ATOM 1011 O OE1 . GLN A 1 67 ? -10.362 16.836 -9.618 1.0 41.54 ? 67 A 10 +ATOM 1012 N NE2 . GLN A 1 67 ? -10.217 18.117 -11.456 1.0 50.51 ? 67 A 10 +ATOM 1013 H H . GLN A 1 67 ? -8.799 13.98 -13.697 1.0 54.23 ? 67 A 10 +ATOM 1014 H HA . GLN A 1 67 ? -6.844 13.736 -11.506 1.0 21.13 ? 67 A 10 +ATOM 1015 H HB2 . GLN A 1 67 ? -8.055 15.443 -10.274 1.0 61.05 ? 67 A 10 +ATOM 1016 H HB3 . GLN A 1 67 ? -7.555 16.075 -11.838 1.0 21.05 ? 67 A 10 +ATOM 1017 H HG2 . GLN A 1 67 ? -9.725 16.028 -12.686 1.0 63.24 ? 67 A 10 +ATOM 1018 H HG3 . GLN A 1 67 ? -10.291 14.932 -11.427 1.0 63.02 ? 67 A 10 +ATOM 1019 H HE21 . GLN A 1 67 ? -9.999 18.14 -12.412 1.0 0.12 ? 67 A 10 +ATOM 1020 H HE22 . GLN A 1 67 ? -10.514 18.9 -10.949 1.0 72.41 ? 67 A 10 +ATOM 1021 N N . LYS A 1 68 ? -8.843 12.976 -9.814 1.0 63.33 ? 68 A 10 +ATOM 1022 C CA . LYS A 1 68 ? -9.698 12.066 -9.062 1.0 34.0 ? 68 A 10 +ATOM 1023 C C . LYS A 1 68 ? -11.171 12.347 -9.34 1.0 33.21 ? 68 A 10 +ATOM 1024 O O . LYS A 1 68 ? -12.003 11.441 -9.304 1.0 33.01 ? 68 A 10 +ATOM 1025 C CB . LYS A 1 68 ? -9.418 12.192 -7.563 1.0 41.41 ? 68 A 10 +ATOM 1026 C CG . LYS A 1 68 ? -10.018 11.068 -6.736 1.0 61.44 ? 68 A 10 +ATOM 1027 C CD . LYS A 1 68 ? -9.338 9.74 -7.022 1.0 43.41 ? 68 A 10 +ATOM 1028 C CE . LYS A 1 68 ? -8.06 9.582 -6.214 1.0 23.43 ? 68 A 10 +ATOM 1029 N NZ . LYS A 1 68 ? -8.323 9.611 -4.748 1.0 52.05 ? 68 A 10 +ATOM 1030 H H . LYS A 1 68 ? -8.292 13.625 -9.328 1.0 75.53 ? 68 A 10 +ATOM 1031 H HA . LYS A 1 68 ? -9.47 11.059 -9.379 1.0 31.4 ? 68 A 10 +ATOM 1032 H HB2 . LYS A 1 68 ? -8.349 12.194 -7.408 1.0 51.5 ? 68 A 10 +ATOM 1033 H HB3 . LYS A 1 68 ? -9.826 13.128 -7.21 1.0 62.4 ? 68 A 10 +ATOM 1034 H HG2 . LYS A 1 68 ? -9.9 11.302 -5.688 1.0 22.33 ? 68 A 10 +ATOM 1035 H HG3 . LYS A 1 68 ? -11.07 10.982 -6.971 1.0 45.02 ? 68 A 10 +ATOM 1036 H HD2 . LYS A 1 68 ? -10.014 8.937 -6.767 1.0 14.2 ? 68 A 10 +ATOM 1037 H HD3 . LYS A 1 68 ? -9.097 9.689 -8.075 1.0 13.53 ? 68 A 10 +ATOM 1038 H HE2 . LYS A 1 68 ? -7.601 8.639 -6.47 1.0 43.13 ? 68 A 10 +ATOM 1039 H HE3 . LYS A 1 68 ? -7.388 10.389 -6.466 1.0 63.42 ? 68 A 10 +ATOM 1040 H HZ1 . LYS A 1 68 ? -7.612 9.042 -4.246 1.0 1.54 ? 68 A 10 +ATOM 1041 H HZ2 . LYS A 1 68 ? -9.267 9.223 -4.548 1.0 73.32 ? 68 A 10 +ATOM 1042 H HZ3 . LYS A 1 68 ? -8.281 10.589 -4.397 1.0 23.44 ? 68 A 10 +ATOM 1043 N N . GLU A 1 69 ? -11.486 13.608 -9.62 1.0 51.1 ? 69 A 10 +ATOM 1044 C CA . GLU A 1 69 ? -12.859 14.007 -9.904 1.0 15.41 ? 69 A 10 +ATOM 1045 C C . GLU A 1 69 ? -12.893 15.208 -10.845 1.0 20.25 ? 69 A 10 +ATOM 1046 O O . GLU A 1 69 ? -13.001 16.352 -10.404 1.0 55.15 ? 69 A 10 +ATOM 1047 C CB . GLU A 1 69 ? -13.596 14.341 -8.606 1.0 42.14 ? 69 A 10 +ATOM 1048 C CG . GLU A 1 69 ? -12.799 15.227 -7.664 1.0 32.44 ? 69 A 10 +ATOM 1049 C CD . GLU A 1 69 ? -13.656 16.278 -6.985 1.0 60.3 ? 69 A 10 +ATOM 1050 O OE1 . GLU A 1 69 ? -14.35 15.934 -6.006 1.0 52.11 ? 69 A 10 +ATOM 1051 O OE2 . GLU A 1 69 ? -13.632 17.443 -7.434 1.0 33.22 ? 69 A 10 +ATOM 1052 H H . GLU A 1 69 ? -10.778 14.286 -9.634 1.0 51.55 ? 69 A 10 +ATOM 1053 H HA . GLU A 1 69 ? -13.353 13.176 -10.384 1.0 21.13 ? 69 A 10 +ATOM 1054 H HB2 . GLU A 1 69 ? -14.518 14.848 -8.85 1.0 70.35 ? 69 A 10 +ATOM 1055 H HB3 . GLU A 1 69 ? -13.828 13.421 -8.091 1.0 25.14 ? 69 A 10 +ATOM 1056 H HG2 . GLU A 1 69 ? -12.347 14.607 -6.903 1.0 60.54 ? 69 A 10 +ATOM 1057 H HG3 . GLU A 1 69 ? -12.024 15.725 -8.228 1.0 2.43 ? 69 A 10 +ATOM 1058 N N . SER A 1 70 ? -12.798 14.939 -12.143 1.0 51.41 ? 70 A 10 +ATOM 1059 C CA . SER A 1 70 ? -12.813 15.997 -13.146 1.0 50.24 ? 70 A 10 +ATOM 1060 C C . SER A 1 70 ? -14.201 16.142 -13.762 1.0 72.1 ? 70 A 10 +ATOM 1061 O O . SER A 1 70 ? -14.87 15.151 -14.057 1.0 13.02 ? 70 A 10 +ATOM 1062 C CB . SER A 1 70 ? -11.785 15.705 -14.241 1.0 75.43 ? 70 A 10 +ATOM 1063 O OG . SER A 1 70 ? -10.992 16.847 -14.514 1.0 45.33 ? 70 A 10 +ATOM 1064 H H . SER A 1 70 ? -12.713 14.006 -12.432 1.0 42.55 ? 70 A 10 +ATOM 1065 H HA . SER A 1 70 ? -12.55 16.923 -12.656 1.0 61.25 ? 70 A 10 +ATOM 1066 H HB2 . SER A 1 70 ? -11.139 14.902 -13.921 1.0 1.23 ? 70 A 10 +ATOM 1067 H HB3 . SER A 1 70 ? -12.299 15.414 -15.146 1.0 50.33 ? 70 A 10 +ATOM 1068 H HG . SER A 1 70 ? -10.875 16.937 -15.463 1.0 14.24 ? 70 A 10 +ATOM 1069 N N . THR A 1 71 ? -14.629 17.386 -13.953 1.0 52.55 ? 71 A 10 +ATOM 1070 C CA . THR A 1 71 ? -15.938 17.663 -14.532 1.0 43.33 ? 71 A 10 +ATOM 1071 C C . THR A 1 71 ? -15.839 17.875 -16.039 1.0 63.44 ? 71 A 10 +ATOM 1072 O O . THR A 1 71 ? -15.212 18.829 -16.502 1.0 13.52 ? 71 A 10 +ATOM 1073 C CB . THR A 1 71 ? -16.584 18.906 -13.892 1.0 4.41 ? 71 A 10 +ATOM 1074 O OG1 . THR A 1 71 ? -15.621 19.962 -13.791 1.0 4.41 ? 71 A 10 +ATOM 1075 C CG2 . THR A 1 71 ? -17.133 18.58 -12.511 1.0 4.35 ? 71 A 10 +ATOM 1076 H H . THR A 1 71 ? -14.051 18.134 -13.698 1.0 14.04 ? 71 A 10 +ATOM 1077 H HA . THR A 1 71 ? -16.575 16.812 -14.339 1.0 24.13 ? 71 A 10 +ATOM 1078 H HB . THR A 1 71 ? -17.4 19.233 -14.52 1.0 70.41 ? 71 A 10 +ATOM 1079 H HG1 . THR A 1 71 ? -15.898 20.584 -13.114 1.0 53.11 ? 71 A 10 +ATOM 1080 H HG21 . THR A 1 71 ? -18.178 18.321 -12.592 1.0 12.42 ? 71 A 10 +ATOM 1081 H HG22 . THR A 1 71 ? -17.024 19.441 -11.868 1.0 75.2 ? 71 A 10 +ATOM 1082 H HG23 . THR A 1 71 ? -16.586 17.748 -12.094 1.0 31.12 ? 71 A 10 +ATOM 1083 N N . LEU A 1 72 ? -16.461 16.981 -16.799 1.0 74.32 ? 72 A 10 +ATOM 1084 C CA . LEU A 1 72 ? -16.444 17.071 -18.255 1.0 62.12 ? 72 A 10 +ATOM 1085 C C . LEU A 1 72 ? -17.86 17.026 -18.82 1.0 14.1 ? 72 A 10 +ATOM 1086 O O . LEU A 1 72 ? -18.738 16.358 -18.273 1.0 22.33 ? 72 A 10 +ATOM 1087 C CB . LEU A 1 72 ? -15.611 15.932 -18.846 1.0 54.24 ? 72 A 10 +ATOM 1088 C CG . LEU A 1 72 ? -15.91 15.566 -20.3 1.0 12.34 ? 72 A 10 +ATOM 1089 C CD1 . LEU A 1 72 ? -15.547 16.717 -21.226 1.0 71.53 ? 72 A 10 +ATOM 1090 C CD2 . LEU A 1 72 ? -15.16 14.303 -20.698 1.0 45.31 ? 72 A 10 +ATOM 1091 H H . LEU A 1 72 ? -16.944 16.243 -16.373 1.0 40.44 ? 72 A 10 +ATOM 1092 H HA . LEU A 1 72 ? -15.992 18.014 -18.524 1.0 22.23 ? 72 A 10 +ATOM 1093 H HB2 . LEU A 1 72 ? -14.572 16.216 -18.784 1.0 24.33 ? 72 A 10 +ATOM 1094 H HB3 . LEU A 1 72 ? -15.779 15.052 -18.241 1.0 64.44 ? 72 A 10 +ATOM 1095 H HG . LEU A 1 72 ? -16.969 15.374 -20.406 1.0 60.22 ? 72 A 10 +ATOM 1096 H HD11 . LEU A 1 72 ? -14.788 16.394 -21.921 1.0 22.12 ? 72 A 10 +ATOM 1097 H HD12 . LEU A 1 72 ? -15.173 17.544 -20.641 1.0 11.12 ? 72 A 10 +ATOM 1098 H HD13 . LEU A 1 72 ? -16.426 17.031 -21.771 1.0 74.11 ? 72 A 10 +ATOM 1099 H HD21 . LEU A 1 72 ? -14.981 13.699 -19.82 1.0 45.11 ? 72 A 10 +ATOM 1100 H HD22 . LEU A 1 72 ? -14.215 14.573 -21.147 1.0 64.51 ? 72 A 10 +ATOM 1101 H HD23 . LEU A 1 72 ? -15.75 13.742 -21.408 1.0 15.53 ? 72 A 10 +ATOM 1102 N N . HIS A 1 73 ? -18.076 17.74 -19.921 1.0 22.1 ? 73 A 10 +ATOM 1103 C CA . HIS A 1 73 ? -19.385 17.78 -20.562 1.0 43.22 ? 73 A 10 +ATOM 1104 C C . HIS A 1 73 ? -19.454 16.787 -21.719 1.0 1.12 ? 73 A 10 +ATOM 1105 O O . HIS A 1 73 ? -18.68 16.875 -22.673 1.0 41.41 ? 73 A 10 +ATOM 1106 C CB . HIS A 1 73 ? -19.686 19.191 -21.068 1.0 34.11 ? 73 A 10 +ATOM 1107 C CG . HIS A 1 73 ? -19.52 20.25 -20.022 1.0 25.31 ? 73 A 10 +ATOM 1108 N ND1 . HIS A 1 73 ? -19.343 21.584 -20.323 1.0 22.31 ? 73 A 10 +ATOM 1109 C CD2 . HIS A 1 73 ? -19.507 20.166 -18.671 1.0 30.12 ? 73 A 10 +ATOM 1110 C CE1 . HIS A 1 73 ? -19.226 22.274 -19.202 1.0 74.03 ? 73 A 10 +ATOM 1111 N NE2 . HIS A 1 73 ? -19.323 21.437 -18.185 1.0 22.32 ? 73 A 10 +ATOM 1112 H H . HIS A 1 73 ? -17.336 18.252 -20.31 1.0 41.1 ? 73 A 10 +ATOM 1113 H HA . HIS A 1 73 ? -20.124 17.506 -19.825 1.0 23.25 ? 73 A 10 +ATOM 1114 H HB2 . HIS A 1 73 ? -19.018 19.424 -21.884 1.0 51.13 ? 73 A 10 +ATOM 1115 H HB3 . HIS A 1 73 ? -20.706 19.23 -21.421 1.0 64.13 ? 73 A 10 +ATOM 1116 H HD1 . HIS A 1 73 ? -19.306 21.968 -21.223 1.0 63.31 ? 73 A 10 +ATOM 1117 H HD2 . HIS A 1 73 ? -19.62 19.266 -18.083 1.0 71.43 ? 73 A 10 +ATOM 1118 H HE1 . HIS A 1 73 ? -19.078 23.341 -19.129 1.0 3.34 ? 73 A 10 +ATOM 1119 N N . LEU A 1 74 ? -20.384 15.843 -21.627 1.0 31.4 ? 74 A 10 +ATOM 1120 C CA . LEU A 1 74 ? -20.553 14.833 -22.665 1.0 41.22 ? 74 A 10 +ATOM 1121 C C . LEU A 1 74 ? -21.86 15.044 -23.422 1.0 21.0 ? 74 A 10 +ATOM 1122 O O . LEU A 1 74 ? -22.944 14.967 -22.844 1.0 70.53 ? 74 A 10 +ATOM 1123 C CB . LEU A 1 74 ? -20.527 13.432 -22.051 1.0 42.32 ? 74 A 10 +ATOM 1124 C CG . LEU A 1 74 ? -21.197 12.328 -22.868 1.0 13.02 ? 74 A 10 +ATOM 1125 C CD1 . LEU A 1 74 ? -20.623 12.282 -24.276 1.0 50.12 ? 74 A 10 +ATOM 1126 C CD2 . LEU A 1 74 ? -21.034 10.98 -22.18 1.0 22.4 ? 74 A 10 +ATOM 1127 H H . LEU A 1 74 ? -20.971 15.824 -20.843 1.0 53.04 ? 74 A 10 +ATOM 1128 H HA . LEU A 1 74 ? -19.73 14.929 -23.358 1.0 65.43 ? 74 A 10 +ATOM 1129 H HB2 . LEU A 1 74 ? -19.494 13.155 -21.905 1.0 22.02 ? 74 A 10 +ATOM 1130 H HB3 . LEU A 1 74 ? -21.023 13.483 -21.092 1.0 20.31 ? 74 A 10 +ATOM 1131 H HG . LEU A 1 74 ? -22.255 12.538 -22.947 1.0 34.12 ? 74 A 10 +ATOM 1132 H HD11 . LEU A 1 74 ? -21.228 12.889 -24.931 1.0 33.01 ? 74 A 10 +ATOM 1133 H HD12 . LEU A 1 74 ? -20.62 11.262 -24.63 1.0 1.34 ? 74 A 10 +ATOM 1134 H HD13 . LEU A 1 74 ? -19.612 12.661 -24.264 1.0 63.14 ? 74 A 10 +ATOM 1135 H HD21 . LEU A 1 74 ? -21.583 10.983 -21.25 1.0 12.32 ? 74 A 10 +ATOM 1136 H HD22 . LEU A 1 74 ? -19.988 10.803 -21.98 1.0 54.43 ? 74 A 10 +ATOM 1137 H HD23 . LEU A 1 74 ? -21.415 10.2 -22.822 1.0 14.02 ? 74 A 10 +ATOM 1138 N N . VAL A 1 75 ? -21.751 15.307 -24.72 1.0 43.5 ? 75 A 10 +ATOM 1139 C CA . VAL A 1 75 ? -22.924 15.526 -25.558 1.0 52.32 ? 75 A 10 +ATOM 1140 C C . VAL A 1 75 ? -23.042 14.449 -26.63 1.0 61.15 ? 75 A 10 +ATOM 1141 O O . VAL A 1 75 ? -22.041 14.016 -27.204 1.0 54.31 ? 75 A 10 +ATOM 1142 C CB . VAL A 1 75 ? -22.879 16.908 -26.237 1.0 24.5 ? 75 A 10 +ATOM 1143 C CG1 . VAL A 1 75 ? -23.246 18.002 -25.246 1.0 55.3 ? 75 A 10 +ATOM 1144 C CG2 . VAL A 1 75 ? -21.505 17.161 -26.839 1.0 64.14 ? 75 A 10 +ATOM 1145 H H . VAL A 1 75 ? -20.859 15.355 -25.125 1.0 70.11 ? 75 A 10 +ATOM 1146 H HA . VAL A 1 75 ? -23.798 15.487 -24.925 1.0 60.52 ? 75 A 10 +ATOM 1147 H HB . VAL A 1 75 ? -23.606 16.918 -27.035 1.0 44.41 ? 75 A 10 +ATOM 1148 H HG11 . VAL A 1 75 ? -23.938 17.608 -24.515 1.0 31.54 ? 75 A 10 +ATOM 1149 H HG12 . VAL A 1 75 ? -22.354 18.351 -24.747 1.0 61.34 ? 75 A 10 +ATOM 1150 H HG13 . VAL A 1 75 ? -23.71 18.823 -25.772 1.0 54.52 ? 75 A 10 +ATOM 1151 H HG21 . VAL A 1 75 ? -21.212 16.312 -27.437 1.0 5.24 ? 75 A 10 +ATOM 1152 H HG22 . VAL A 1 75 ? -21.543 18.044 -27.459 1.0 61.35 ? 75 A 10 +ATOM 1153 H HG23 . VAL A 1 75 ? -20.786 17.309 -26.046 1.0 24.43 ? 75 A 10 +ATOM 1154 N N . LEU A 1 76 ? -24.271 14.02 -26.898 1.0 35.1 ? 76 A 10 +ATOM 1155 C CA . LEU A 1 76 ? -24.521 12.993 -27.903 1.0 22.53 ? 76 A 10 +ATOM 1156 C C . LEU A 1 76 ? -25.441 13.518 -29.0 1.0 2.14 ? 76 A 10 +ATOM 1157 O O . LEU A 1 76 ? -26.419 14.212 -28.724 1.0 21.5 ? 76 A 10 +ATOM 1158 C CB . LEU A 1 76 ? -25.139 11.755 -27.252 1.0 73.12 ? 76 A 10 +ATOM 1159 C CG . LEU A 1 76 ? -25.096 11.707 -25.724 1.0 64.45 ? 76 A 10 +ATOM 1160 C CD1 . LEU A 1 76 ? -25.934 10.55 -25.202 1.0 24.13 ? 76 A 10 +ATOM 1161 C CD2 . LEU A 1 76 ? -23.66 11.592 -25.234 1.0 22.03 ? 76 A 10 +ATOM 1162 H H . LEU A 1 76 ? -25.028 14.403 -26.408 1.0 44.32 ? 76 A 10 +ATOM 1163 H HA . LEU A 1 76 ? -23.573 12.723 -28.343 1.0 53.04 ? 76 A 10 +ATOM 1164 H HB2 . LEU A 1 76 ? -26.174 11.704 -27.555 1.0 71.31 ? 76 A 10 +ATOM 1165 H HB3 . LEU A 1 76 ? -24.614 10.888 -27.626 1.0 62.14 ? 76 A 10 +ATOM 1166 H HG . LEU A 1 76 ? -25.512 12.624 -25.33 1.0 42.11 ? 76 A 10 +ATOM 1167 H HD11 . LEU A 1 76 ? -26.78 10.936 -24.654 1.0 12.14 ? 76 A 10 +ATOM 1168 H HD12 . LEU A 1 76 ? -25.332 9.936 -24.549 1.0 23.21 ? 76 A 10 +ATOM 1169 H HD13 . LEU A 1 76 ? -26.283 9.955 -26.033 1.0 40.2 ? 76 A 10 +ATOM 1170 H HD21 . LEU A 1 76 ? -23.562 12.095 -24.284 1.0 53.24 ? 76 A 10 +ATOM 1171 H HD22 . LEU A 1 76 ? -22.997 12.048 -25.955 1.0 72.02 ? 76 A 10 +ATOM 1172 H HD23 . LEU A 1 76 ? -23.402 10.549 -25.118 1.0 63.4 ? 76 A 10 +ATOM 1173 N N . ARG A 1 77 ? -25.121 13.18 -30.245 1.0 50.44 ? 77 A 10 +ATOM 1174 C CA . ARG A 1 77 ? -25.919 13.616 -31.384 1.0 12.4 ? 77 A 10 +ATOM 1175 C C . ARG A 1 77 ? -26.547 12.422 -32.098 1.0 10.32 ? 77 A 10 +ATOM 1176 O O . ARG A 1 77 ? -26.049 11.97 -33.13 1.0 12.43 ? 77 A 10 +ATOM 1177 C CB . ARG A 1 77 ? -25.056 14.413 -32.364 1.0 55.35 ? 77 A 10 +ATOM 1178 C CG . ARG A 1 77 ? -24.567 15.739 -31.805 1.0 12.22 ? 77 A 10 +ATOM 1179 C CD . ARG A 1 77 ? -23.053 15.761 -31.669 1.0 60.22 ? 77 A 10 +ATOM 1180 N NE . ARG A 1 77 ? -22.577 16.995 -31.049 1.0 64.33 ? 77 A 10 +ATOM 1181 C CZ . ARG A 1 77 ? -22.55 18.168 -31.673 1.0 13.31 ? 77 A 10 +ATOM 1182 N NH1 . ARG A 1 77 ? -22.97 18.265 -32.927 1.0 63.3 ? 77 A 10 +ATOM 1183 N NH2 . ARG A 1 77 ? -22.104 19.246 -31.042 1.0 70.54 ? 77 A 10 +ATOM 1184 H H . ARG A 1 77 ? -24.329 12.624 -30.401 1.0 2.41 ? 77 A 10 +ATOM 1185 H HA . ARG A 1 77 ? -26.708 14.253 -31.013 1.0 53.23 ? 77 A 10 +ATOM 1186 H HB2 . ARG A 1 77 ? -24.193 13.82 -32.631 1.0 41.04 ? 77 A 10 +ATOM 1187 H HB3 . ARG A 1 77 ? -25.634 14.613 -33.254 1.0 23.23 ? 77 A 10 +ATOM 1188 H HG2 . ARG A 1 77 ? -24.869 16.533 -32.472 1.0 3.21 ? 77 A 10 +ATOM 1189 H HG3 . ARG A 1 77 ? -25.01 15.894 -30.833 1.0 45.32 ? 77 A 10 +ATOM 1190 H HD2 . ARG A 1 77 ? -22.747 14.924 -31.06 1.0 24.22 ? 77 A 10 +ATOM 1191 H HD3 . ARG A 1 77 ? -22.615 15.671 -32.652 1.0 55.12 ? 77 A 10 +ATOM 1192 H HE . ARG A 1 77 ? -22.262 16.946 -30.123 1.0 41.44 ? 77 A 10 +ATOM 1193 H HH11 . ARG A 1 77 ? -23.308 17.454 -33.404 1.0 31.24 ? 77 A 10 +ATOM 1194 H HH12 . ARG A 1 77 ? -22.95 19.15 -33.394 1.0 72.5 ? 77 A 10 +ATOM 1195 H HH21 . ARG A 1 77 ? -21.787 19.177 -30.097 1.0 71.34 ? 77 A 10 +ATOM 1196 H HH22 . ARG A 1 77 ? -22.084 20.128 -31.512 1.0 1.44 ? 77 A 10 +ATOM 1197 N N . LEU A 1 78 ? -27.641 11.915 -31.541 1.0 31.03 ? 78 A 10 +ATOM 1198 C CA . LEU A 1 78 ? -28.337 10.773 -32.123 1.0 51.32 ? 78 A 10 +ATOM 1199 C C . LEU A 1 78 ? -29.16 11.197 -33.335 1.0 14.11 ? 78 A 10 +ATOM 1200 O O . LEU A 1 78 ? -29.106 10.561 -34.388 1.0 12.31 ? 78 A 10 +ATOM 1201 C CB . LEU A 1 78 ? -29.244 10.117 -31.08 1.0 42.51 ? 78 A 10 +ATOM 1202 C CG . LEU A 1 78 ? -28.537 9.447 -29.902 1.0 51.45 ? 78 A 10 +ATOM 1203 C CD1 . LEU A 1 78 ? -27.402 8.562 -30.394 1.0 14.44 ? 78 A 10 +ATOM 1204 C CD2 . LEU A 1 78 ? -28.016 10.492 -28.927 1.0 25.32 ? 78 A 10 +ATOM 1205 H H . LEU A 1 78 ? -27.991 12.318 -30.719 1.0 75.31 ? 78 A 10 +ATOM 1206 H HA . LEU A 1 78 ? -27.593 10.058 -32.441 1.0 64.2 ? 78 A 10 +ATOM 1207 H HB2 . LEU A 1 78 ? -29.896 10.88 -30.683 1.0 61.14 ? 78 A 10 +ATOM 1208 H HB3 . LEU A 1 78 ? -29.836 9.366 -31.583 1.0 62.32 ? 78 A 10 +ATOM 1209 H HG . LEU A 1 78 ? -29.244 8.82 -29.375 1.0 53.42 ? 78 A 10 +ATOM 1210 H HD11 . LEU A 1 78 ? -26.463 9.081 -30.274 1.0 3.24 ? 78 A 10 +ATOM 1211 H HD12 . LEU A 1 78 ? -27.555 8.329 -31.438 1.0 74.14 ? 78 A 10 +ATOM 1212 H HD13 . LEU A 1 78 ? -27.385 7.647 -29.82 1.0 11.41 ? 78 A 10 +ATOM 1213 H HD21 . LEU A 1 78 ? -27.131 10.957 -29.337 1.0 65.32 ? 78 A 10 +ATOM 1214 H HD22 . LEU A 1 78 ? -27.772 10.018 -27.988 1.0 65.43 ? 78 A 10 +ATOM 1215 H HD23 . LEU A 1 78 ? -28.776 11.243 -28.765 1.0 34.04 ? 78 A 10 +ATOM 1216 N N . ARG A 1 79 ? -29.921 12.275 -33.18 1.0 44.5 ? 79 A 10 +ATOM 1217 C CA . ARG A 1 79 ? -30.755 12.785 -34.262 1.0 54.44 ? 79 A 10 +ATOM 1218 C C . ARG A 1 79 ? -29.896 13.356 -35.386 1.0 43.43 ? 79 A 10 +ATOM 1219 O O . ARG A 1 79 ? -29.597 14.549 -35.408 1.0 24.23 ? 79 A 10 +ATOM 1220 C CB . ARG A 1 79 ? -31.708 13.86 -33.737 1.0 53.1 ? 79 A 10 +ATOM 1221 C CG . ARG A 1 79 ? -32.962 13.298 -33.088 1.0 62.42 ? 79 A 10 +ATOM 1222 C CD . ARG A 1 79 ? -33.05 13.683 -31.619 1.0 15.2 ? 79 A 10 +ATOM 1223 N NE . ARG A 1 79 ? -33.765 14.941 -31.425 1.0 22.21 ? 79 A 10 +ATOM 1224 C CZ . ARG A 1 79 ? -34.09 15.425 -30.231 1.0 43.33 ? 79 A 10 +ATOM 1225 N NH1 . ARG A 1 79 ? -33.766 14.759 -29.131 1.0 51.34 ? 79 A 10 +ATOM 1226 N NH2 . ARG A 1 79 ? -34.741 16.577 -30.136 1.0 24.34 ? 79 A 10 +ATOM 1227 H H . ARG A 1 79 ? -29.922 12.74 -32.316 1.0 30.43 ? 79 A 10 +ATOM 1228 H HA . ARG A 1 79 ? -31.334 11.961 -34.65 1.0 75.12 ? 79 A 10 +ATOM 1229 H HB2 . ARG A 1 79 ? -31.188 14.459 -33.004 1.0 72.51 ? 79 A 10 +ATOM 1230 H HB3 . ARG A 1 79 ? -32.006 14.492 -34.559 1.0 62.3 ? 79 A 10 +ATOM 1231 H HG2 . ARG A 1 79 ? -33.828 13.687 -33.603 1.0 34.21 ? 79 A 10 +ATOM 1232 H HG3 . ARG A 1 79 ? -32.946 12.221 -33.169 1.0 51.44 ? 79 A 10 +ATOM 1233 H HD2 . ARG A 1 79 ? -33.567 12.9 -31.086 1.0 21.42 ? 79 A 10 +ATOM 1234 H HD3 . ARG A 1 79 ? -32.049 13.784 -31.227 1.0 24.22 ? 79 A 10 +ATOM 1235 H HE . ARG A 1 79 ? -34.015 15.449 -32.224 1.0 63.2 ? 79 A 10 +ATOM 1236 H HH11 . ARG A 1 79 ? -33.274 13.891 -29.2 1.0 0.03 ? 79 A 10 +ATOM 1237 H HH12 . ARG A 1 79 ? -34.011 15.126 -28.234 1.0 54.33 ? 79 A 10 +ATOM 1238 H HH21 . ARG A 1 79 ? -34.988 17.082 -30.963 1.0 72.3 ? 79 A 10 +ATOM 1239 H HH22 . ARG A 1 79 ? -34.986 16.94 -29.237 1.0 2.44 ? 79 A 10 +ATOM 1240 N N . GLY A 1 80 ? -29.502 12.495 -36.319 1.0 11.03 ? 80 A 10 +ATOM 1241 C CA . GLY A 1 80 ? -28.682 12.932 -37.434 1.0 3.12 ? 80 A 10 +ATOM 1242 C C . GLY A 1 80 ? -27.45 12.068 -37.621 1.0 52.34 ? 80 A 10 +ATOM 1243 O O . GLY A 1 80 ? -26.324 12.562 -37.575 1.0 43.44 ? 80 A 10 +ATOM 1244 H H . GLY A 1 80 ? -29.771 11.554 -36.25 1.0 0.24 ? 80 A 10 +ATOM 1245 H HA2 . GLY A 1 80 ? -29.273 12.898 -38.337 1.0 71.24 ? 80 A 10 +ATOM 1246 H HA3 . GLY A 1 80 ? -28.369 13.951 -37.258 1.0 43.14 ? 80 A 10 +ATOM 1247 N N . GLY A 1 81 ? -27.664 10.772 -37.831 1.0 43.34 ? 81 A 10 +ATOM 1248 C CA . GLY A 1 81 ? -26.553 9.859 -38.02 1.0 20.2 ? 81 A 10 +ATOM 1249 C C . GLY A 1 81 ? -26.951 8.411 -37.813 1.0 63.23 ? 81 A 10 +ATOM 1250 O O . GLY A 1 81 ? -28.106 8.115 -37.506 1.0 30.24 ? 81 A 10 +ATOM 1251 H H . GLY A 1 81 ? -28.584 10.435 -37.857 1.0 11.33 ? 81 A 10 +ATOM 1252 H HA2 . GLY A 1 81 ? -26.171 9.976 -39.023 1.0 30.51 ? 81 A 10 +ATOM 1253 H HA3 . GLY A 1 81 ? -25.772 10.109 -37.317 1.0 55.14 ? 81 A 10 +ATOM 1254 N N . VAL A 1 82 ? -25.993 7.505 -37.983 1.0 30.52 ? 82 A 10 +ATOM 1255 C CA . VAL A 1 82 ? -26.25 6.08 -37.813 1.0 4.45 ? 82 A 10 +ATOM 1256 C C . VAL A 1 82 ? -25.05 5.376 -37.189 1.0 63.52 ? 82 A 10 +ATOM 1257 O O . VAL A 1 82 ? -24.155 6.02 -36.642 1.0 12.52 ? 82 A 10 +ATOM 1258 C CB . VAL A 1 82 ? -26.584 5.406 -39.157 1.0 53.54 ? 82 A 10 +ATOM 1259 C CG1 . VAL A 1 82 ? -25.44 5.585 -40.144 1.0 33.31 ? 82 A 10 +ATOM 1260 C CG2 . VAL A 1 82 ? -26.895 3.931 -38.951 1.0 1.13 ? 82 A 10 +ATOM 1261 H H . VAL A 1 82 ? -25.092 7.802 -38.228 1.0 42.11 ? 82 A 10 +ATOM 1262 H HA . VAL A 1 82 ? -27.101 5.969 -37.158 1.0 65.12 ? 82 A 10 +ATOM 1263 H HB . VAL A 1 82 ? -27.462 5.883 -39.568 1.0 3.02 ? 82 A 10 +ATOM 1264 H HG11 . VAL A 1 82 ? -25.603 4.95 -41.002 1.0 71.54 ? 82 A 10 +ATOM 1265 H HG12 . VAL A 1 82 ? -25.396 6.616 -40.461 1.0 43.52 ? 82 A 10 +ATOM 1266 H HG13 . VAL A 1 82 ? -24.509 5.314 -39.668 1.0 60.31 ? 82 A 10 +ATOM 1267 H HG21 . VAL A 1 82 ? -26.003 3.347 -39.123 1.0 51.1 ? 82 A 10 +ATOM 1268 H HG22 . VAL A 1 82 ? -27.238 3.775 -37.939 1.0 43.42 ? 82 A 10 +ATOM 1269 H HG23 . VAL A 1 82 ? -27.665 3.624 -39.644 1.0 61.21 ? 82 A 10 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-PEPTIDE LINKING' ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-PEPTIDE LINKING' ARGININE ? 'C6 H15 N4 O2' 175.209 +ASN 'L-PEPTIDE LINKING' ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-PEPTIDE LINKING' 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +GLN 'L-PEPTIDE LINKING' GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-PEPTIDE LINKING' 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'PEPTIDE LINKING' GLYCINE ? 'C2 H5 N O2' 75.067 +HIS 'L-PEPTIDE LINKING' HISTIDINE ? 'C6 H10 N3 O2' 156.162 +ILE 'L-PEPTIDE LINKING' ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-PEPTIDE LINKING' LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-PEPTIDE LINKING' LYSINE ? 'C6 H15 N2 O2' 147.195 +MET 'L-PEPTIDE LINKING' METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-PEPTIDE LINKING' PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-PEPTIDE LINKING' PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-PEPTIDE LINKING' SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-PEPTIDE LINKING' THREONINE ? 'C4 H9 N O3' 119.119 +TYR 'L-PEPTIDE LINKING' TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-PEPTIDE LINKING' VALINE ? 'C5 H11 N O2' 117.146 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +ASP N N N N 58 +ASP CA C N S 59 +ASP C C N N 60 +ASP O O N N 61 +ASP CB C N N 62 +ASP CG C N N 63 +ASP OD1 O N N 64 +ASP OD2 O N N 65 +ASP OXT O N N 66 +ASP H H N N 67 +ASP H2 H N N 68 +ASP HA H N N 69 +ASP HB2 H N N 70 +ASP HB3 H N N 71 +ASP HD2 H N N 72 +ASP HXT H N N 73 +GLN N N N N 74 +GLN CA C N S 75 +GLN C C N N 76 +GLN O O N N 77 +GLN CB C N N 78 +GLN CG C N N 79 +GLN CD C N N 80 +GLN OE1 O N N 81 +GLN NE2 N N N 82 +GLN OXT O N N 83 +GLN H H N N 84 +GLN H2 H N N 85 +GLN HA H N N 86 +GLN HB2 H N N 87 +GLN HB3 H N N 88 +GLN HG2 H N N 89 +GLN HG3 H N N 90 +GLN HE21 H N N 91 +GLN HE22 H N N 92 +GLN HXT H N N 93 +GLU N N N N 94 +GLU CA C N S 95 +GLU C C N N 96 +GLU O O N N 97 +GLU CB C N N 98 +GLU CG C N N 99 +GLU CD C N N 100 +GLU OE1 O N N 101 +GLU OE2 O N N 102 +GLU OXT O N N 103 +GLU H H N N 104 +GLU H2 H N N 105 +GLU HA H N N 106 +GLU HB2 H N N 107 +GLU HB3 H N N 108 +GLU HG2 H N N 109 +GLU HG3 H N N 110 +GLU HE2 H N N 111 +GLU HXT H N N 112 +GLY N N N N 113 +GLY CA C N N 114 +GLY C C N N 115 +GLY O O N N 116 +GLY OXT O N N 117 +GLY H H N N 118 +GLY H2 H N N 119 +GLY HA2 H N N 120 +GLY HA3 H N N 121 +GLY HXT H N N 122 +HIS N N N N 123 +HIS CA C N S 124 +HIS C C N N 125 +HIS O O N N 126 +HIS CB C N N 127 +HIS CG C Y N 128 +HIS ND1 N Y N 129 +HIS CD2 C Y N 130 +HIS CE1 C Y N 131 +HIS NE2 N Y N 132 +HIS OXT O N N 133 +HIS H H N N 134 +HIS H2 H N N 135 +HIS HA H N N 136 +HIS HB2 H N N 137 +HIS HB3 H N N 138 +HIS HD1 H N N 139 +HIS HD2 H N N 140 +HIS HE1 H N N 141 +HIS HE2 H N N 142 +HIS HXT H N N 143 +ILE N N N N 144 +ILE CA C N S 145 +ILE C C N N 146 +ILE O O N N 147 +ILE CB C N S 148 +ILE CG1 C N N 149 +ILE CG2 C N N 150 +ILE CD1 C N N 151 +ILE OXT O N N 152 +ILE H H N N 153 +ILE H2 H N N 154 +ILE HA H N N 155 +ILE HB H N N 156 +ILE HG12 H N N 157 +ILE HG13 H N N 158 +ILE HG21 H N N 159 +ILE HG22 H N N 160 +ILE HG23 H N N 161 +ILE HD11 H N N 162 +ILE HD12 H N N 163 +ILE HD13 H N N 164 +ILE HXT H N N 165 +LEU N N N N 166 +LEU CA C N S 167 +LEU C C N N 168 +LEU O O N N 169 +LEU CB C N N 170 +LEU CG C N N 171 +LEU CD1 C N N 172 +LEU CD2 C N N 173 +LEU OXT O N N 174 +LEU H H N N 175 +LEU H2 H N N 176 +LEU HA H N N 177 +LEU HB2 H N N 178 +LEU HB3 H N N 179 +LEU HG H N N 180 +LEU HD11 H N N 181 +LEU HD12 H N N 182 +LEU HD13 H N N 183 +LEU HD21 H N N 184 +LEU HD22 H N N 185 +LEU HD23 H N N 186 +LEU HXT H N N 187 +LYS N N N N 188 +LYS CA C N S 189 +LYS C C N N 190 +LYS O O N N 191 +LYS CB C N N 192 +LYS CG C N N 193 +LYS CD C N N 194 +LYS CE C N N 195 +LYS NZ N N N 196 +LYS OXT O N N 197 +LYS H H N N 198 +LYS H2 H N N 199 +LYS HA H N N 200 +LYS HB2 H N N 201 +LYS HB3 H N N 202 +LYS HG2 H N N 203 +LYS HG3 H N N 204 +LYS HD2 H N N 205 +LYS HD3 H N N 206 +LYS HE2 H N N 207 +LYS HE3 H N N 208 +LYS HZ1 H N N 209 +LYS HZ2 H N N 210 +LYS HZ3 H N N 211 +LYS HXT H N N 212 +MET N N N N 213 +MET CA C N S 214 +MET C C N N 215 +MET O O N N 216 +MET CB C N N 217 +MET CG C N N 218 +MET SD S N N 219 +MET CE C N N 220 +MET OXT O N N 221 +MET H H N N 222 +MET H2 H N N 223 +MET HA H N N 224 +MET HB2 H N N 225 +MET HB3 H N N 226 +MET HG2 H N N 227 +MET HG3 H N N 228 +MET HE1 H N N 229 +MET HE2 H N N 230 +MET HE3 H N N 231 +MET HXT H N N 232 +PHE N N N N 233 +PHE CA C N S 234 +PHE C C N N 235 +PHE O O N N 236 +PHE CB C N N 237 +PHE CG C Y N 238 +PHE CD1 C Y N 239 +PHE CD2 C Y N 240 +PHE CE1 C Y N 241 +PHE CE2 C Y N 242 +PHE CZ C Y N 243 +PHE OXT O N N 244 +PHE H H N N 245 +PHE H2 H N N 246 +PHE HA H N N 247 +PHE HB2 H N N 248 +PHE HB3 H N N 249 +PHE HD1 H N N 250 +PHE HD2 H N N 251 +PHE HE1 H N N 252 +PHE HE2 H N N 253 +PHE HZ H N N 254 +PHE HXT H N N 255 +PRO N N N N 256 +PRO CA C N S 257 +PRO C C N N 258 +PRO O O N N 259 +PRO CB C N N 260 +PRO CG C N N 261 +PRO CD C N N 262 +PRO OXT O N N 263 +PRO H H N N 264 +PRO HA H N N 265 +PRO HB2 H N N 266 +PRO HB3 H N N 267 +PRO HG2 H N N 268 +PRO HG3 H N N 269 +PRO HD2 H N N 270 +PRO HD3 H N N 271 +PRO HXT H N N 272 +SER N N N N 273 +SER CA C N S 274 +SER C C N N 275 +SER O O N N 276 +SER CB C N N 277 +SER OG O N N 278 +SER OXT O N N 279 +SER H H N N 280 +SER H2 H N N 281 +SER HA H N N 282 +SER HB2 H N N 283 +SER HB3 H N N 284 +SER HG H N N 285 +SER HXT H N N 286 +THR N N N N 287 +THR CA C N S 288 +THR C C N N 289 +THR O O N N 290 +THR CB C N R 291 +THR OG1 O N N 292 +THR CG2 C N N 293 +THR OXT O N N 294 +THR H H N N 295 +THR H2 H N N 296 +THR HA H N N 297 +THR HB H N N 298 +THR HG1 H N N 299 +THR HG21 H N N 300 +THR HG22 H N N 301 +THR HG23 H N N 302 +THR HXT H N N 303 +TYR N N N N 304 +TYR CA C N S 305 +TYR C C N N 306 +TYR O O N N 307 +TYR CB C N N 308 +TYR CG C Y N 309 +TYR CD1 C Y N 310 +TYR CD2 C Y N 311 +TYR CE1 C Y N 312 +TYR CE2 C Y N 313 +TYR CZ C Y N 314 +TYR OH O N N 315 +TYR OXT O N N 316 +TYR H H N N 317 +TYR H2 H N N 318 +TYR HA H N N 319 +TYR HB2 H N N 320 +TYR HB3 H N N 321 +TYR HD1 H N N 322 +TYR HD2 H N N 323 +TYR HE1 H N N 324 +TYR HE2 H N N 325 +TYR HH H N N 326 +TYR HXT H N N 327 +VAL N N N N 328 +VAL CA C N S 329 +VAL C C N N 330 +VAL O O N N 331 +VAL CB C N N 332 +VAL CG1 C N N 333 +VAL CG2 C N N 334 +VAL OXT O N N 335 +VAL H H N N 336 +VAL H2 H N N 337 +VAL HA H N N 338 +VAL HB H N N 339 +VAL HG11 H N N 340 +VAL HG12 H N N 341 +VAL HG13 H N N 342 +VAL HG21 H N N 343 +VAL HG22 H N N 344 +VAL HG23 H N N 345 +VAL HXT H N N 346 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ALA N CA SING N N 1 +ALA N H SING N N 2 +ALA N H2 SING N N 3 +ALA CA C SING N N 4 +ALA CA CB SING N N 5 +ALA CA HA SING N N 6 +ALA C O DOUB N N 7 +ALA C OXT SING N N 8 +ALA CB HB1 SING N N 9 +ALA CB HB2 SING N N 10 +ALA CB HB3 SING N N 11 +ALA OXT HXT SING N N 12 +ARG N CA SING N N 13 +ARG N H SING N N 14 +ARG N H2 SING N N 15 +ARG CA C SING N N 16 +ARG CA CB SING N N 17 +ARG CA HA SING N N 18 +ARG C O DOUB N N 19 +ARG C OXT SING N N 20 +ARG CB CG SING N N 21 +ARG CB HB2 SING N N 22 +ARG CB HB3 SING N N 23 +ARG CG CD SING N N 24 +ARG CG HG2 SING N N 25 +ARG CG HG3 SING N N 26 +ARG CD NE SING N N 27 +ARG CD HD2 SING N N 28 +ARG CD HD3 SING N N 29 +ARG NE CZ SING N N 30 +ARG NE HE SING N N 31 +ARG CZ NH1 SING N N 32 +ARG CZ NH2 DOUB N N 33 +ARG NH1 HH11 SING N N 34 +ARG NH1 HH12 SING N N 35 +ARG NH2 HH21 SING N N 36 +ARG NH2 HH22 SING N N 37 +ARG OXT HXT SING N N 38 +ASN N CA SING N N 39 +ASN N H SING N N 40 +ASN N H2 SING N N 41 +ASN CA C SING N N 42 +ASN CA CB SING N N 43 +ASN CA HA SING N N 44 +ASN C O DOUB N N 45 +ASN C OXT SING N N 46 +ASN CB CG SING N N 47 +ASN CB HB2 SING N N 48 +ASN CB HB3 SING N N 49 +ASN CG OD1 DOUB N N 50 +ASN CG ND2 SING N N 51 +ASN ND2 HD21 SING N N 52 +ASN ND2 HD22 SING N N 53 +ASN OXT HXT SING N N 54 +ASP N CA SING N N 55 +ASP N H SING N N 56 +ASP N H2 SING N N 57 +ASP CA C SING N N 58 +ASP CA CB SING N N 59 +ASP CA HA SING N N 60 +ASP C O DOUB N N 61 +ASP C OXT SING N N 62 +ASP CB CG SING N N 63 +ASP CB HB2 SING N N 64 +ASP CB HB3 SING N N 65 +ASP CG OD1 DOUB N N 66 +ASP CG OD2 SING N N 67 +ASP OD2 HD2 SING N N 68 +ASP OXT HXT SING N N 69 +GLN N CA SING N N 70 +GLN N H SING N N 71 +GLN N H2 SING N N 72 +GLN CA C SING N N 73 +GLN CA CB SING N N 74 +GLN CA HA SING N N 75 +GLN C O DOUB N N 76 +GLN C OXT SING N N 77 +GLN CB CG SING N N 78 +GLN CB HB2 SING N N 79 +GLN CB HB3 SING N N 80 +GLN CG CD SING N N 81 +GLN CG HG2 SING N N 82 +GLN CG HG3 SING N N 83 +GLN CD OE1 DOUB N N 84 +GLN CD NE2 SING N N 85 +GLN NE2 HE21 SING N N 86 +GLN NE2 HE22 SING N N 87 +GLN OXT HXT SING N N 88 +GLU N CA SING N N 89 +GLU N H SING N N 90 +GLU N H2 SING N N 91 +GLU CA C SING N N 92 +GLU CA CB SING N N 93 +GLU CA HA SING N N 94 +GLU C O DOUB N N 95 +GLU C OXT SING N N 96 +GLU CB CG SING N N 97 +GLU CB HB2 SING N N 98 +GLU CB HB3 SING N N 99 +GLU CG CD SING N N 100 +GLU CG HG2 SING N N 101 +GLU CG HG3 SING N N 102 +GLU CD OE1 DOUB N N 103 +GLU CD OE2 SING N N 104 +GLU OE2 HE2 SING N N 105 +GLU OXT HXT SING N N 106 +GLY N CA SING N N 107 +GLY N H SING N N 108 +GLY N H2 SING N N 109 +GLY CA C SING N N 110 +GLY CA HA2 SING N N 111 +GLY CA HA3 SING N N 112 +GLY C O DOUB N N 113 +GLY C OXT SING N N 114 +GLY OXT HXT SING N N 115 +HIS N CA SING N N 116 +HIS N H SING N N 117 +HIS N H2 SING N N 118 +HIS CA C SING N N 119 +HIS CA CB SING N N 120 +HIS CA HA SING N N 121 +HIS C O DOUB N N 122 +HIS C OXT SING N N 123 +HIS CB CG SING N N 124 +HIS CB HB2 SING N N 125 +HIS CB HB3 SING N N 126 +HIS CG ND1 SING Y N 127 +HIS CG CD2 DOUB Y N 128 +HIS ND1 CE1 DOUB Y N 129 +HIS ND1 HD1 SING N N 130 +HIS CD2 NE2 SING Y N 131 +HIS CD2 HD2 SING N N 132 +HIS CE1 NE2 SING Y N 133 +HIS CE1 HE1 SING N N 134 +HIS NE2 HE2 SING N N 135 +HIS OXT HXT SING N N 136 +ILE N CA SING N N 137 +ILE N H SING N N 138 +ILE N H2 SING N N 139 +ILE CA C SING N N 140 +ILE CA CB SING N N 141 +ILE CA HA SING N N 142 +ILE C O DOUB N N 143 +ILE C OXT SING N N 144 +ILE CB CG1 SING N N 145 +ILE CB CG2 SING N N 146 +ILE CB HB SING N N 147 +ILE CG1 CD1 SING N N 148 +ILE CG1 HG12 SING N N 149 +ILE CG1 HG13 SING N N 150 +ILE CG2 HG21 SING N N 151 +ILE CG2 HG22 SING N N 152 +ILE CG2 HG23 SING N N 153 +ILE CD1 HD11 SING N N 154 +ILE CD1 HD12 SING N N 155 +ILE CD1 HD13 SING N N 156 +ILE OXT HXT SING N N 157 +LEU N CA SING N N 158 +LEU N H SING N N 159 +LEU N H2 SING N N 160 +LEU CA C SING N N 161 +LEU CA CB SING N N 162 +LEU CA HA SING N N 163 +LEU C O DOUB N N 164 +LEU C OXT SING N N 165 +LEU CB CG SING N N 166 +LEU CB HB2 SING N N 167 +LEU CB HB3 SING N N 168 +LEU CG CD1 SING N N 169 +LEU CG CD2 SING N N 170 +LEU CG HG SING N N 171 +LEU CD1 HD11 SING N N 172 +LEU CD1 HD12 SING N N 173 +LEU CD1 HD13 SING N N 174 +LEU CD2 HD21 SING N N 175 +LEU CD2 HD22 SING N N 176 +LEU CD2 HD23 SING N N 177 +LEU OXT HXT SING N N 178 +LYS N CA SING N N 179 +LYS N H SING N N 180 +LYS N H2 SING N N 181 +LYS CA C SING N N 182 +LYS CA CB SING N N 183 +LYS CA HA SING N N 184 +LYS C O DOUB N N 185 +LYS C OXT SING N N 186 +LYS CB CG SING N N 187 +LYS CB HB2 SING N N 188 +LYS CB HB3 SING N N 189 +LYS CG CD SING N N 190 +LYS CG HG2 SING N N 191 +LYS CG HG3 SING N N 192 +LYS CD CE SING N N 193 +LYS CD HD2 SING N N 194 +LYS CD HD3 SING N N 195 +LYS CE NZ SING N N 196 +LYS CE HE2 SING N N 197 +LYS CE HE3 SING N N 198 +LYS NZ HZ1 SING N N 199 +LYS NZ HZ2 SING N N 200 +LYS NZ HZ3 SING N N 201 +LYS OXT HXT SING N N 202 +MET N CA SING N N 203 +MET N H SING N N 204 +MET N H2 SING N N 205 +MET CA C SING N N 206 +MET CA CB SING N N 207 +MET CA HA SING N N 208 +MET C O DOUB N N 209 +MET C OXT SING N N 210 +MET CB CG SING N N 211 +MET CB HB2 SING N N 212 +MET CB HB3 SING N N 213 +MET CG SD SING N N 214 +MET CG HG2 SING N N 215 +MET CG HG3 SING N N 216 +MET SD CE SING N N 217 +MET CE HE1 SING N N 218 +MET CE HE2 SING N N 219 +MET CE HE3 SING N N 220 +MET OXT HXT SING N N 221 +PHE N CA SING N N 222 +PHE N H SING N N 223 +PHE N H2 SING N N 224 +PHE CA C SING N N 225 +PHE CA CB SING N N 226 +PHE CA HA SING N N 227 +PHE C O DOUB N N 228 +PHE C OXT SING N N 229 +PHE CB CG SING N N 230 +PHE CB HB2 SING N N 231 +PHE CB HB3 SING N N 232 +PHE CG CD1 DOUB Y N 233 +PHE CG CD2 SING Y N 234 +PHE CD1 CE1 SING Y N 235 +PHE CD1 HD1 SING N N 236 +PHE CD2 CE2 DOUB Y N 237 +PHE CD2 HD2 SING N N 238 +PHE CE1 CZ DOUB Y N 239 +PHE CE1 HE1 SING N N 240 +PHE CE2 CZ SING Y N 241 +PHE CE2 HE2 SING N N 242 +PHE CZ HZ SING N N 243 +PHE OXT HXT SING N N 244 +PRO N CA SING N N 245 +PRO N CD SING N N 246 +PRO N H SING N N 247 +PRO CA C SING N N 248 +PRO CA CB SING N N 249 +PRO CA HA SING N N 250 +PRO C O DOUB N N 251 +PRO C OXT SING N N 252 +PRO CB CG SING N N 253 +PRO CB HB2 SING N N 254 +PRO CB HB3 SING N N 255 +PRO CG CD SING N N 256 +PRO CG HG2 SING N N 257 +PRO CG HG3 SING N N 258 +PRO CD HD2 SING N N 259 +PRO CD HD3 SING N N 260 +PRO OXT HXT SING N N 261 +SER N CA SING N N 262 +SER N H SING N N 263 +SER N H2 SING N N 264 +SER CA C SING N N 265 +SER CA CB SING N N 266 +SER CA HA SING N N 267 +SER C O DOUB N N 268 +SER C OXT SING N N 269 +SER CB OG SING N N 270 +SER CB HB2 SING N N 271 +SER CB HB3 SING N N 272 +SER OG HG SING N N 273 +SER OXT HXT SING N N 274 +THR N CA SING N N 275 +THR N H SING N N 276 +THR N H2 SING N N 277 +THR CA C SING N N 278 +THR CA CB SING N N 279 +THR CA HA SING N N 280 +THR C O DOUB N N 281 +THR C OXT SING N N 282 +THR CB OG1 SING N N 283 +THR CB CG2 SING N N 284 +THR CB HB SING N N 285 +THR OG1 HG1 SING N N 286 +THR CG2 HG21 SING N N 287 +THR CG2 HG22 SING N N 288 +THR CG2 HG23 SING N N 289 +THR OXT HXT SING N N 290 +TYR N CA SING N N 291 +TYR N H SING N N 292 +TYR N H2 SING N N 293 +TYR CA C SING N N 294 +TYR CA CB SING N N 295 +TYR CA HA SING N N 296 +TYR C O DOUB N N 297 +TYR C OXT SING N N 298 +TYR CB CG SING N N 299 +TYR CB HB2 SING N N 300 +TYR CB HB3 SING N N 301 +TYR CG CD1 DOUB Y N 302 +TYR CG CD2 SING Y N 303 +TYR CD1 CE1 SING Y N 304 +TYR CD1 HD1 SING N N 305 +TYR CD2 CE2 DOUB Y N 306 +TYR CD2 HD2 SING N N 307 +TYR CE1 CZ DOUB Y N 308 +TYR CE1 HE1 SING N N 309 +TYR CE2 CZ SING Y N 310 +TYR CE2 HE2 SING N N 311 +TYR CZ OH SING N N 312 +TYR OH HH SING N N 313 +TYR OXT HXT SING N N 314 +VAL N CA SING N N 315 +VAL N H SING N N 316 +VAL N H2 SING N N 317 +VAL CA C SING N N 318 +VAL CA CB SING N N 319 +VAL CA HA SING N N 320 +VAL C O DOUB N N 321 +VAL C OXT SING N N 322 +VAL CB CG1 SING N N 323 +VAL CB CG2 SING N N 324 +VAL CB HB SING N N 325 +VAL CG1 HG11 SING N N 326 +VAL CG1 HG12 SING N N 327 +VAL CG1 HG13 SING N N 328 +VAL CG2 HG21 SING N N 329 +VAL CG2 HG22 SING N N 330 +VAL CG2 HG23 SING N N 331 +VAL OXT HXT SING N N 332 +# diff --git a/tests/test_data/write_cif2.cif b/tests/test_data/write_cif2.cif index ad459a1..4ff5889 100644 --- a/tests/test_data/write_cif2.cif +++ b/tests/test_data/write_cif2.cif @@ -48,821 +48,387 @@ _entity.type 2 . non-polymer 3 . non-polymer 4 . non-polymer +4 . non-polymer 5 . non-polymer 6 . non-polymer 7 . non-polymer 8 . non-polymer 9 . non-polymer +9 . non-polymer +9 . non-polymer +9 . non-polymer +9 . non-polymer 10 . non-polymer 11 . non-polymer 12 . non-polymer -13 . non-polymer -14 . non-polymer -15 . non-polymer -16 . non-polymer -17 . polymer # loop_ _entity_poly.entity_id _entity_poly.pdbx_strand_id _entity_poly.pdbx_type -1 A1 polypeptide -17 Q12 unknown +1 A polypeptide # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num -1 n MET 1 -1 n TRP 2 -1 n SER 3 -1 n HIS 4 -1 n PRO 5 -1 n GLN 6 -1 n PHE 7 -1 n GLU 8 -1 n LYS 9 -1 n ALA 10 -1 n SER 11 -1 n THR 12 -1 n GLY 13 -1 n ARG 14 -1 n GLU 15 -1 n ILE 16 -1 n LEU 17 -1 n GLU 18 -1 n LYS 19 -1 n LEU 20 -1 n GLU 21 -1 n ARG 22 -1 n ARG 23 -1 n GLU 24 -1 n PHE 25 -1 n THR 26 -1 n ARG 27 -1 n GLU 28 -1 n VAL 29 -1 n LEU 30 -1 n LYS 31 -1 n GLU 32 -1 n ALA 33 -1 n LEU 34 -1 n SER 35 -1 n ILE 36 -1 n ASN 37 -1 n ASP 38 -1 n ARG 39 -1 n GLY 40 -1 n PHE 41 -1 n ASN 42 -1 n GLU 43 -1 n ALA 44 -1 n LEU 45 -1 n PHE 46 -1 n LYS 47 -1 n LEU 48 -1 n ALA 49 -1 n ASP 50 -1 n GLU 51 -1 n ILE 52 -1 n ARG 53 -1 n ARG 54 -1 n LYS 55 -1 n TYR 56 -1 n VAL 57 -1 n GLY 58 -1 n ASP 59 -1 n GLU 60 -1 n VAL 61 -1 n HIS 62 -1 n ILE 63 -1 n ARG 64 -1 n ALA 65 -1 n ILE 66 -1 n ILE 67 -1 n GLU 68 -1 n PHE 69 -1 n SER 70 -1 n ASN 71 -1 n VAL 72 -1 n CYS 73 -1 n ARG 74 -1 n LYS 75 -1 n ASN 76 -1 n CYS 77 -1 n LEU 78 -1 n TYR 79 -1 n CYS 80 -1 n GLY 81 -1 n LEU 82 -1 n ARG 83 -1 n ARG 84 -1 n ASP 85 -1 n ASN 86 -1 n LYS 87 -1 n ASN 88 -1 n LEU 89 -1 n LYS 90 -1 n ARG 91 -1 n TYR 92 -1 n ARG 93 -1 n MET 94 -1 n THR 95 -1 n PRO 96 -1 n GLU 97 -1 n GLU 98 -1 n ILE 99 -1 n VAL 100 -1 n GLU 101 -1 n ARG 102 -1 n ALA 103 -1 n ARG 104 -1 n LEU 105 -1 n ALA 106 -1 n VAL 107 -1 n GLN 108 -1 n PHE 109 -1 n GLY 110 -1 n ALA 111 -1 n LYS 112 -1 n THR 113 -1 n ILE 114 -1 n VAL 115 -1 n LEU 116 -1 n GLN 117 -1 n SER 118 -1 n GLY 119 -1 n GLU 120 -1 n ASP 121 -1 n PRO 122 -1 n TYR 123 -1 n TYR 124 -1 n MET 125 -1 n PRO 126 -1 n ASP 127 -1 n VAL 128 -1 n ILE 129 -1 n SER 130 -1 n ASP 131 -1 n ILE 132 -1 n VAL 133 -1 n LYS 134 -1 n GLU 135 -1 n ILE 136 -1 n LYS 137 -1 n LYS 138 -1 n MET 139 -1 n GLY 140 -1 n VAL 141 -1 n ALA 142 -1 n VAL 143 -1 n THR 144 -1 n LEU 145 -1 n SER 146 -1 n LEU 147 -1 n GLY 148 -1 n GLU 149 -1 n TRP 150 -1 n PRO 151 -1 n ARG 152 -1 n GLU 153 -1 n TYR 154 -1 n TYR 155 -1 n GLU 156 -1 n LYS 157 -1 n TRP 158 -1 n LYS 159 -1 n GLU 160 -1 n ALA 161 -1 n GLY 162 -1 n ALA 163 -1 n ASP 164 -1 n ARG 165 -1 n TYR 166 -1 n LEU 167 -1 n LEU 168 -1 n ARG 169 -1 n HIS 170 -1 n GLU 171 -1 n THR 172 -1 n ALA 173 -1 n ASN 174 -1 n PRO 175 -1 n VAL 176 -1 n LEU 177 -1 n HIS 178 -1 n ARG 179 -1 n LYS 180 -1 n LEU 181 -1 n ARG 182 -1 n PRO 183 -1 n ASP 184 -1 n THR 185 -1 n SER 186 -1 n PHE 187 -1 n GLU 188 -1 n ASN 189 -1 n ARG 190 -1 n LEU 191 -1 n ASN 192 -1 n CYS 193 -1 n LEU 194 -1 n LEU 195 -1 n THR 196 -1 n LEU 197 -1 n LYS 198 -1 n GLU 199 -1 n LEU 200 -1 n GLY 201 -1 n TYR 202 -1 n GLU 203 -1 n THR 204 -1 n GLY 205 -1 n ALA 206 -1 n GLY 207 -1 n SER 208 -1 n MET 209 -1 n VAL 210 -1 n GLY 211 -1 n LEU 212 -1 n PRO 213 -1 n GLY 214 -1 n GLN 215 -1 n THR 216 -1 n ILE 217 -1 n ASP 218 -1 n ASP 219 -1 n LEU 220 -1 n VAL 221 -1 n ASP 222 -1 n ASP 223 -1 n LEU 224 -1 n LEU 225 -1 n PHE 226 -1 n LEU 227 -1 n LYS 228 -1 n GLU 229 -1 n HIS 230 -1 n ASP 231 -1 n PHE 232 -1 n ASP 233 -1 n MET 234 -1 n VAL 235 -1 n GLY 236 -1 n ILE 237 -1 n GLY 238 -1 n PRO 239 -1 n PHE 240 -1 n ILE 241 -1 n PRO 242 -1 n HIS 243 -1 n PRO 244 -1 n ASP 245 -1 n THR 246 -1 n PRO 247 -1 n LEU 248 -1 n ALA 249 -1 n ASN 250 -1 n GLU 251 -1 n LYS 252 -1 n LYS 253 -1 n GLY 254 -1 n ASP 255 -1 n PHE 256 -1 n THR 257 -1 n LEU 258 -1 n THR 259 -1 n LEU 260 -1 n LYS 261 -1 n MET 262 -1 n VAL 263 -1 n ALA 264 -1 n LEU 265 -1 n THR 266 -1 n ARG 267 -1 n ILE 268 -1 n LEU 269 -1 n LEU 270 -1 n PRO 271 -1 n ASP 272 -1 n SER 273 -1 n ASN 274 -1 n ILE 275 -1 n PRO 276 -1 n ALA 277 -1 n THR 278 -1 n THR 279 -1 n ALA 280 -1 n MET 281 -1 n GLY 282 -1 n THR 283 -1 n ILE 284 -1 n VAL 285 -1 n PRO 286 -1 n GLY 287 -1 n GLY 288 -1 n ARG 289 -1 n GLU 290 -1 n ILE 291 -1 n THR 292 -1 n LEU 293 -1 n ARG 294 -1 n CYS 295 -1 n GLY 296 -1 n ALA 297 -1 n ASN 298 -1 n VAL 299 -1 n ILE 300 -1 n MET 301 -1 n PRO 302 -1 n ASN 303 -1 n TRP 304 -1 n THR 305 -1 n PRO 306 -1 n SER 307 -1 n PRO 308 -1 n TYR 309 -1 n ARG 310 -1 n GLN 311 -1 n LEU 312 -1 n TYR 313 -1 n GLN 314 -1 n LEU 315 -1 n TYR 316 -1 n PRO 317 -1 n GLY 318 -1 n LYS 319 -1 n ILE 320 -1 n SER 321 -1 n VAL 322 -1 n PHE 323 -1 n GLU 324 -1 n LYS 325 -1 n ASP 326 -1 n THR 327 -1 n ALA 328 -1 n SER 329 -1 n ILE 330 -1 n PRO 331 -1 n SER 332 -1 n VAL 333 -1 n MET 334 -1 n LYS 335 -1 n MET 336 -1 n ILE 337 -1 n GLU 338 -1 n LEU 339 -1 n LEU 340 -1 n GLY 341 -1 n ARG 342 -1 n LYS 343 -1 n PRO 344 -1 n GLY 345 -1 n ARG 346 -1 n ASP 347 -1 n TRP 348 -1 n GLY 349 -1 n GLY 350 -1 n ARG 351 -1 n LYS 352 -1 n ARG 353 -1 n VAL 354 -1 n PHE 355 -1 n THR 356 -17 y HOH 1 -17 y HOH 2 -17 y HOH 3 -17 y HOH 4 -17 y HOH 5 -17 y HOH 6 -17 y HOH 7 -17 y HOH 8 -17 y HOH 9 -17 y HOH 10 -17 y HOH 11 -17 y HOH 12 -17 y HOH 13 -17 y HOH 14 -17 y HOH 15 -17 y HOH 16 -17 y HOH 17 -17 y HOH 18 -17 y HOH 19 -17 y HOH 20 -17 y HOH 21 -17 y HOH 22 -17 y HOH 23 -17 y HOH 24 -17 y HOH 25 -17 y HOH 26 -17 y HOH 27 -17 y HOH 28 -17 y HOH 29 -17 y HOH 30 -17 y HOH 31 -17 y HOH 32 -17 y HOH 33 -17 y HOH 34 -17 y HOH 35 -17 y HOH 36 -17 y HOH 37 -17 y HOH 38 -17 y HOH 39 -17 y HOH 40 -17 y HOH 41 -17 y HOH 42 -17 y HOH 43 -17 y HOH 44 -17 y HOH 45 -17 y HOH 46 -17 y HOH 47 -17 y HOH 48 -17 y HOH 49 -17 y HOH 50 -17 y HOH 51 -17 y HOH 52 -17 y HOH 53 -17 y HOH 54 -17 y HOH 55 -17 y HOH 56 -17 y HOH 57 -17 y HOH 58 -17 y HOH 59 -17 y HOH 60 -17 y HOH 61 -17 y HOH 62 -17 y HOH 63 -17 y HOH 64 -17 y HOH 65 -17 y HOH 66 -17 y HOH 67 -17 y HOH 68 -17 y HOH 69 -17 y HOH 70 -17 y HOH 71 -17 y HOH 72 -17 y HOH 73 -17 y HOH 74 -17 y HOH 75 -17 y HOH 76 -17 y HOH 77 -17 y HOH 78 -17 y HOH 79 -17 y HOH 80 -17 y HOH 81 -17 y HOH 82 -17 y HOH 83 -17 y HOH 84 -17 y HOH 85 -17 y HOH 86 -17 y HOH 87 -17 y HOH 88 -17 y HOH 89 -17 y HOH 90 -17 y HOH 91 -17 y HOH 92 -17 y HOH 93 -17 y HOH 94 -17 y HOH 95 -17 y HOH 96 -17 y HOH 97 -17 y HOH 98 -17 y HOH 99 -17 y HOH 100 -17 y HOH 101 -17 y HOH 102 -17 y HOH 103 -17 y HOH 104 -17 y HOH 105 -17 y HOH 106 -17 y HOH 107 -17 y HOH 108 -17 y HOH 109 -17 y HOH 110 -17 y HOH 111 -17 y HOH 112 -17 y HOH 113 -17 y HOH 114 -17 y HOH 115 -17 y HOH 116 -17 y HOH 117 -17 y HOH 118 -17 y HOH 119 -17 y HOH 120 -17 y HOH 121 -17 y HOH 122 -17 y HOH 123 -17 y HOH 124 -17 y HOH 125 -17 y HOH 126 -17 y HOH 127 -17 y HOH 128 -17 y HOH 129 -17 y HOH 130 -17 y HOH 131 -17 y HOH 132 -17 y HOH 133 -17 y HOH 134 -17 y HOH 135 -17 y HOH 136 -17 y HOH 137 -17 y HOH 138 -17 y HOH 139 -17 y HOH 140 -17 y HOH 141 -17 y HOH 142 -17 y HOH 143 -17 y HOH 144 -17 y HOH 145 -17 y HOH 146 -17 y HOH 147 -17 y HOH 148 -17 y HOH 149 -17 y HOH 150 -17 y HOH 151 -17 y HOH 152 -17 y HOH 153 -17 y HOH 154 -17 y HOH 155 -17 y HOH 156 -17 y HOH 157 -17 y HOH 158 -17 y HOH 159 -17 y HOH 160 -17 y HOH 161 -17 y HOH 162 -17 y HOH 163 -17 y HOH 164 -17 y HOH 165 -17 y HOH 166 -17 y HOH 167 -17 y HOH 168 -17 y HOH 169 -17 y HOH 170 -17 y HOH 171 -17 y HOH 172 -17 y HOH 173 -17 y HOH 174 -17 y HOH 175 -17 y HOH 176 -17 y HOH 177 -17 y HOH 178 -17 y HOH 179 -17 y HOH 180 -17 y HOH 181 -17 y HOH 182 -17 y HOH 183 -17 y HOH 184 -17 y HOH 185 -17 y HOH 186 -17 y HOH 187 -17 y HOH 188 -17 y HOH 189 -17 y HOH 190 -17 y HOH 191 -17 y HOH 192 -17 y HOH 193 -17 y HOH 194 -17 y HOH 195 -17 y HOH 196 -17 y HOH 197 -17 y HOH 198 -17 y HOH 199 -17 y HOH 200 -17 y HOH 201 -17 y HOH 202 -17 y HOH 203 -17 y HOH 204 -17 y HOH 205 -17 y HOH 206 -17 y HOH 207 -17 y HOH 208 -17 y HOH 209 -17 y HOH 210 -17 y HOH 211 -17 y HOH 212 -17 y HOH 213 -17 y HOH 214 -17 y HOH 215 -17 y HOH 216 -17 y HOH 217 -17 y HOH 218 -17 y HOH 219 -17 y HOH 220 -17 y HOH 221 -17 y HOH 222 -17 y HOH 223 -17 y HOH 224 -17 y HOH 225 -17 y HOH 226 -17 y HOH 227 -17 y HOH 228 -17 y HOH 229 -17 y HOH 230 -17 y HOH 231 -17 y HOH 232 -17 y HOH 233 -17 y HOH 234 -17 y HOH 235 -17 y HOH 236 -17 y HOH 237 -17 y HOH 238 -17 y HOH 239 -17 y HOH 240 -17 y HOH 241 -17 y HOH 242 -17 y HOH 243 -17 y HOH 244 -17 y HOH 245 -17 y HOH 246 -17 y HOH 247 -17 y HOH 248 -17 y HOH 249 -17 y HOH 250 -17 y HOH 251 -17 y HOH 252 -17 y HOH 253 -17 y HOH 254 -17 y HOH 255 -17 y HOH 256 -17 y HOH 257 -17 y HOH 258 -17 y HOH 259 -17 y HOH 260 -17 y HOH 261 -17 y HOH 262 -17 y HOH 263 -17 y HOH 264 -17 y HOH 265 -17 y HOH 266 -17 y HOH 267 -17 y HOH 268 -17 y HOH 269 -17 y HOH 270 -17 y HOH 271 -17 y HOH 272 -17 y HOH 273 -17 y HOH 274 -17 y HOH 275 -17 y HOH 276 -17 y HOH 277 -17 y HOH 278 -17 y HOH 279 -17 y HOH 280 -17 y HOH 281 -17 y HOH 282 -17 y HOH 283 -17 y HOH 284 -17 y HOH 285 -17 y HOH 286 -17 y HOH 287 -17 y HOH 288 -17 y HOH 289 -17 y HOH 290 -17 y HOH 291 -17 y HOH 292 -17 y HOH 293 -17 y HOH 294 -17 y HOH 295 -17 y HOH 296 -17 y HOH 297 -17 y HOH 298 -17 y HOH 299 -17 y HOH 300 -17 y HOH 301 -17 y HOH 302 -17 y HOH 303 -17 y HOH 304 -17 y HOH 305 -17 y HOH 306 -17 y HOH 307 -17 y HOH 308 -17 y HOH 309 -17 y HOH 310 -17 y HOH 311 -17 y HOH 312 -17 y HOH 313 -17 y HOH 314 -17 y HOH 315 -17 y HOH 316 -17 y HOH 317 -17 y HOH 318 -17 y HOH 319 -17 y HOH 320 -17 y HOH 321 -17 y HOH 322 -17 y HOH 323 -17 y HOH 324 -17 y HOH 325 -17 y HOH 326 -17 y HOH 327 -17 y HOH 328 -17 y HOH 329 -17 y HOH 330 -17 y HOH 331 -17 y HOH 332 -17 y HOH 333 -17 y HOH 334 -17 y HOH 335 -17 y HOH 336 -17 y HOH 337 -17 y HOH 338 -17 y HOH 339 -17 y HOH 340 -17 y HOH 341 -17 y HOH 342 -17 y HOH 343 -17 y HOH 344 -17 y HOH 345 -17 y HOH 346 -17 y HOH 347 -17 y HOH 348 -17 y HOH 349 -17 y HOH 350 -17 y HOH 351 -17 y HOH 352 -17 y HOH 353 -17 y HOH 354 -17 y HOH 355 -17 y HOH 356 -17 y HOH 357 -17 y HOH 358 -17 y HOH 359 -17 y HOH 360 -17 y HOH 361 -17 y HOH 362 -17 y HOH 363 -17 y HOH 364 -17 y HOH 365 -17 y HOH 366 -17 y HOH 367 -17 y HOH 368 -17 y HOH 369 -17 y HOH 370 -17 y HOH 371 -17 y HOH 372 -17 y HOH 373 -17 y HOH 374 -17 y HOH 375 -17 y HOH 376 -17 y HOH 377 -17 y HOH 378 -17 y HOH 379 -17 y HOH 380 -17 y HOH 381 -17 y HOH 382 -17 y HOH 383 -17 y HOH 384 -17 y HOH 385 -17 y HOH 386 -17 y HOH 387 -17 y HOH 388 -17 y HOH 389 -17 y HOH 390 -17 y HOH 391 -17 y HOH 392 -17 y HOH 393 -17 y HOH 394 -17 y HOH 395 -17 y HOH 396 -17 y HOH 397 -17 y HOH 398 -17 y HOH 399 -17 y HOH 400 -17 y HOH 401 -17 y HOH 402 -17 y HOH 403 -17 y HOH 404 -17 y HOH 405 -17 y HOH 406 -17 y HOH 407 -17 y HOH 408 -17 y HOH 409 -17 y HOH 410 -17 y HOH 411 -17 y HOH 412 -17 y HOH 413 -17 y HOH 414 -17 y HOH 415 -17 y HOH 416 -17 y HOH 417 -17 y HOH 418 -17 y HOH 419 -17 y HOH 420 -17 y HOH 421 -17 y HOH 422 -17 y HOH 423 -17 y HOH 424 -17 y HOH 425 -17 y HOH 426 -17 y HOH 427 -17 y HOH 428 -17 y HOH 429 -17 y HOH 430 -17 y HOH 431 -17 y HOH 432 -17 y HOH 433 +1 n MET 1 +1 n TRP 2 +1 n SER 3 +1 n HIS 4 +1 n PRO 5 +1 n GLN 6 +1 n PHE 7 +1 n GLU 8 +1 n LYS 9 +1 n ALA 10 +1 n SER 11 +1 n THR 12 +1 n GLY 13 +1 n ARG 14 +1 n GLU 15 +1 n ILE 16 +1 n LEU 17 +1 n GLU 18 +1 n LYS 19 +1 n LEU 20 +1 n GLU 21 +1 n ARG 22 +1 n ARG 23 +1 n GLU 24 +1 n PHE 25 +1 n THR 26 +1 n ARG 27 +1 n GLU 28 +1 n VAL 29 +1 n LEU 30 +1 n LYS 31 +1 n GLU 32 +1 n ALA 33 +1 n LEU 34 +1 n SER 35 +1 n ILE 36 +1 n ASN 37 +1 n ASP 38 +1 n ARG 39 +1 n GLY 40 +1 n PHE 41 +1 n ASN 42 +1 n GLU 43 +1 n ALA 44 +1 n LEU 45 +1 n PHE 46 +1 n LYS 47 +1 n LEU 48 +1 n ALA 49 +1 n ASP 50 +1 n GLU 51 +1 n ILE 52 +1 n ARG 53 +1 n ARG 54 +1 n LYS 55 +1 n TYR 56 +1 n VAL 57 +1 n GLY 58 +1 n ASP 59 +1 n GLU 60 +1 n VAL 61 +1 n HIS 62 +1 n ILE 63 +1 n ARG 64 +1 n ALA 65 +1 n ILE 66 +1 n ILE 67 +1 n GLU 68 +1 n PHE 69 +1 n SER 70 +1 n ASN 71 +1 n VAL 72 +1 n CYS 73 +1 n ARG 74 +1 n LYS 75 +1 n ASN 76 +1 n CYS 77 +1 n LEU 78 +1 n TYR 79 +1 n CYS 80 +1 n GLY 81 +1 n LEU 82 +1 n ARG 83 +1 n ARG 84 +1 n ASP 85 +1 n ASN 86 +1 n LYS 87 +1 n ASN 88 +1 n LEU 89 +1 n LYS 90 +1 n ARG 91 +1 n TYR 92 +1 n ARG 93 +1 n MET 94 +1 n THR 95 +1 n PRO 96 +1 n GLU 97 +1 n GLU 98 +1 n ILE 99 +1 n VAL 100 +1 n GLU 101 +1 n ARG 102 +1 n ALA 103 +1 n ARG 104 +1 n LEU 105 +1 n ALA 106 +1 n VAL 107 +1 n GLN 108 +1 n PHE 109 +1 n GLY 110 +1 n ALA 111 +1 n LYS 112 +1 n THR 113 +1 n ILE 114 +1 n VAL 115 +1 n LEU 116 +1 n GLN 117 +1 n SER 118 +1 n GLY 119 +1 n GLU 120 +1 n ASP 121 +1 n PRO 122 +1 n TYR 123 +1 n TYR 124 +1 n MET 125 +1 n PRO 126 +1 n ASP 127 +1 n VAL 128 +1 n ILE 129 +1 n SER 130 +1 n ASP 131 +1 n ILE 132 +1 n VAL 133 +1 n LYS 134 +1 n GLU 135 +1 n ILE 136 +1 n LYS 137 +1 n LYS 138 +1 n MET 139 +1 n GLY 140 +1 n VAL 141 +1 n ALA 142 +1 n VAL 143 +1 n THR 144 +1 n LEU 145 +1 n SER 146 +1 n LEU 147 +1 n GLY 148 +1 n GLU 149 +1 n TRP 150 +1 n PRO 151 +1 n ARG 152 +1 n GLU 153 +1 n TYR 154 +1 n TYR 155 +1 n GLU 156 +1 n LYS 157 +1 n TRP 158 +1 n LYS 159 +1 n GLU 160 +1 n ALA 161 +1 n GLY 162 +1 n ALA 163 +1 n ASP 164 +1 n ARG 165 +1 n TYR 166 +1 n LEU 167 +1 n LEU 168 +1 n ARG 169 +1 n HIS 170 +1 n GLU 171 +1 n THR 172 +1 n ALA 173 +1 n ASN 174 +1 n PRO 175 +1 n VAL 176 +1 n LEU 177 +1 n HIS 178 +1 n ARG 179 +1 n LYS 180 +1 n LEU 181 +1 n ARG 182 +1 n PRO 183 +1 n ASP 184 +1 n THR 185 +1 n SER 186 +1 n PHE 187 +1 n GLU 188 +1 n ASN 189 +1 n ARG 190 +1 n LEU 191 +1 n ASN 192 +1 n CYS 193 +1 n LEU 194 +1 n LEU 195 +1 n THR 196 +1 n LEU 197 +1 n LYS 198 +1 n GLU 199 +1 n LEU 200 +1 n GLY 201 +1 n TYR 202 +1 n GLU 203 +1 n THR 204 +1 n GLY 205 +1 n ALA 206 +1 n GLY 207 +1 n SER 208 +1 n MET 209 +1 n VAL 210 +1 n GLY 211 +1 n LEU 212 +1 n PRO 213 +1 n GLY 214 +1 n GLN 215 +1 n THR 216 +1 n ILE 217 +1 n ASP 218 +1 n ASP 219 +1 n LEU 220 +1 n VAL 221 +1 n ASP 222 +1 n ASP 223 +1 n LEU 224 +1 n LEU 225 +1 n PHE 226 +1 n LEU 227 +1 n LYS 228 +1 n GLU 229 +1 n HIS 230 +1 n ASP 231 +1 n PHE 232 +1 n ASP 233 +1 n MET 234 +1 n VAL 235 +1 n GLY 236 +1 n ILE 237 +1 n GLY 238 +1 n PRO 239 +1 n PHE 240 +1 n ILE 241 +1 n PRO 242 +1 n HIS 243 +1 n PRO 244 +1 n ASP 245 +1 n THR 246 +1 n PRO 247 +1 n LEU 248 +1 n ALA 249 +1 n ASN 250 +1 n GLU 251 +1 n LYS 252 +1 n LYS 253 +1 n GLY 254 +1 n ASP 255 +1 n PHE 256 +1 n THR 257 +1 n LEU 258 +1 n THR 259 +1 n LEU 260 +1 n LYS 261 +1 n MET 262 +1 n VAL 263 +1 n ALA 264 +1 n LEU 265 +1 n THR 266 +1 n ARG 267 +1 n ILE 268 +1 n LEU 269 +1 n LEU 270 +1 n PRO 271 +1 n ASP 272 +1 n SER 273 +1 n ASN 274 +1 n ILE 275 +1 n PRO 276 +1 n ALA 277 +1 n THR 278 +1 n THR 279 +1 n ALA 280 +1 n MET 281 +1 n GLY 282 +1 n THR 283 +1 n ILE 284 +1 n VAL 285 +1 n PRO 286 +1 n GLY 287 +1 n GLY 288 +1 n ARG 289 +1 n GLU 290 +1 n ILE 291 +1 n THR 292 +1 n LEU 293 +1 n ARG 294 +1 n CYS 295 +1 n GLY 296 +1 n ALA 297 +1 n ASN 298 +1 n VAL 299 +1 n ILE 300 +1 n MET 301 +1 n PRO 302 +1 n ASN 303 +1 n TRP 304 +1 n THR 305 +1 n PRO 306 +1 n SER 307 +1 n PRO 308 +1 n TYR 309 +1 n ARG 310 +1 n GLN 311 +1 n LEU 312 +1 n TYR 313 +1 n GLN 314 +1 n LEU 315 +1 n TYR 316 +1 n PRO 317 +1 n GLY 318 +1 n LYS 319 +1 n ILE 320 +1 n SER 321 +1 n VAL 322 +1 n PHE 323 +1 n GLU 324 +1 n LYS 325 +1 n ASP 326 +1 n THR 327 +1 n ALA 328 +1 n SER 329 +1 n ILE 330 +1 n PRO 331 +1 n SER 332 +1 n VAL 333 +1 n MET 334 +1 n LYS 335 +1 n MET 336 +1 n ILE 337 +1 n GLU 338 +1 n LEU 339 +1 n LEU 340 +1 n GLY 341 +1 n ARG 342 +1 n LYS 343 +1 n PRO 344 +1 n GLY 345 +1 n ARG 346 +1 n ASP 347 +1 n TRP 348 +1 n GLY 349 +1 n GLY 350 +1 n ARG 351 +1 n LYS 352 +1 n ARG 353 +1 n VAL 354 +1 n PHE 355 +1 n THR 356 # _ma_data.content_type model_coordinates _ma_data.name Model @@ -875,21 +441,454 @@ _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.pdb_ins_code _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.pdb_strand_id -B2 401 2 CYS . 1 B2 -C3 402 3 FE2 . 1 C3 -D4 403 4 CMO . 1 D4 -E4 404 5 CMO . 1 E4 -F5 405 6 CYN . 1 F5 -G6 406 7 PYR . 1 G6 -H7 407 8 GOL . 1 H7 -I8 408 9 SAH . 1 I8 -J9 409 10 PO4 . 1 J9 -K9 410 11 PO4 . 1 K9 -L9 411 12 PO4 . 1 L9 -M9 412 13 PO4 . 1 M9 -N9 413 14 PO4 . 1 N9 -O10 414 15 CL . 1 O10 -P11 415 16 SF4 . 1 P11 +B 401 2 CYS . 1 A +C 402 3 FE2 . 1 A +D 403 4 CMO . 1 A +E 404 4 CMO . 1 A +F 405 5 CYN . 1 A +G 406 6 PYR . 1 A +H 407 7 GOL . 1 A +I 408 8 SAH . 1 A +J 409 9 PO4 . 1 A +K 410 9 PO4 . 1 A +L 411 9 PO4 . 1 A +M 412 9 PO4 . 1 A +N 413 9 PO4 . 1 A +O 414 10 CL . 1 A +P 415 11 SF4 . 1 A +Q 501 12 HOH . 1 A +Q 502 12 HOH . 1 A +Q 503 12 HOH . 1 A +Q 504 12 HOH . 1 A +Q 505 12 HOH . 1 A +Q 506 12 HOH . 1 A +Q 507 12 HOH . 1 A +Q 508 12 HOH . 1 A +Q 509 12 HOH . 1 A +Q 510 12 HOH . 1 A +Q 511 12 HOH . 1 A +Q 512 12 HOH . 1 A +Q 513 12 HOH . 1 A +Q 514 12 HOH . 1 A +Q 515 12 HOH . 1 A +Q 516 12 HOH . 1 A +Q 517 12 HOH . 1 A +Q 518 12 HOH . 1 A +Q 519 12 HOH . 1 A +Q 520 12 HOH . 1 A +Q 521 12 HOH . 1 A +Q 522 12 HOH . 1 A +Q 523 12 HOH . 1 A +Q 524 12 HOH . 1 A +Q 525 12 HOH . 1 A +Q 526 12 HOH . 1 A +Q 527 12 HOH . 1 A +Q 528 12 HOH . 1 A +Q 529 12 HOH . 1 A +Q 530 12 HOH . 1 A +Q 531 12 HOH . 1 A +Q 532 12 HOH . 1 A +Q 533 12 HOH . 1 A +Q 534 12 HOH . 1 A +Q 535 12 HOH . 1 A +Q 536 12 HOH . 1 A +Q 537 12 HOH . 1 A +Q 538 12 HOH . 1 A +Q 539 12 HOH . 1 A +Q 540 12 HOH . 1 A +Q 541 12 HOH . 1 A +Q 542 12 HOH . 1 A +Q 543 12 HOH . 1 A +Q 544 12 HOH . 1 A +Q 545 12 HOH . 1 A +Q 546 12 HOH . 1 A +Q 547 12 HOH . 1 A +Q 548 12 HOH . 1 A +Q 549 12 HOH . 1 A +Q 550 12 HOH . 1 A +Q 551 12 HOH . 1 A +Q 552 12 HOH . 1 A +Q 553 12 HOH . 1 A +Q 554 12 HOH . 1 A +Q 555 12 HOH . 1 A +Q 556 12 HOH . 1 A +Q 557 12 HOH . 1 A +Q 558 12 HOH . 1 A +Q 559 12 HOH . 1 A +Q 560 12 HOH . 1 A +Q 561 12 HOH . 1 A +Q 562 12 HOH . 1 A +Q 563 12 HOH . 1 A +Q 564 12 HOH . 1 A +Q 565 12 HOH . 1 A +Q 566 12 HOH . 1 A +Q 567 12 HOH . 1 A +Q 568 12 HOH . 1 A +Q 569 12 HOH . 1 A +Q 570 12 HOH . 1 A +Q 571 12 HOH . 1 A +Q 572 12 HOH . 1 A +Q 573 12 HOH . 1 A +Q 574 12 HOH . 1 A +Q 575 12 HOH . 1 A +Q 576 12 HOH . 1 A +Q 577 12 HOH . 1 A +Q 578 12 HOH . 1 A +Q 579 12 HOH . 1 A +Q 580 12 HOH . 1 A +Q 581 12 HOH . 1 A +Q 582 12 HOH . 1 A +Q 583 12 HOH . 1 A +Q 584 12 HOH . 1 A +Q 585 12 HOH . 1 A +Q 586 12 HOH . 1 A +Q 587 12 HOH . 1 A +Q 588 12 HOH . 1 A +Q 589 12 HOH . 1 A +Q 590 12 HOH . 1 A +Q 591 12 HOH . 1 A +Q 592 12 HOH . 1 A +Q 593 12 HOH . 1 A +Q 594 12 HOH . 1 A +Q 595 12 HOH . 1 A +Q 596 12 HOH . 1 A +Q 597 12 HOH . 1 A +Q 598 12 HOH . 1 A +Q 599 12 HOH . 1 A +Q 600 12 HOH . 1 A +Q 601 12 HOH . 1 A +Q 602 12 HOH . 1 A +Q 603 12 HOH . 1 A +Q 604 12 HOH . 1 A +Q 605 12 HOH . 1 A +Q 606 12 HOH . 1 A +Q 607 12 HOH . 1 A +Q 608 12 HOH . 1 A +Q 609 12 HOH . 1 A +Q 610 12 HOH . 1 A +Q 611 12 HOH . 1 A +Q 612 12 HOH . 1 A +Q 613 12 HOH . 1 A +Q 614 12 HOH . 1 A +Q 615 12 HOH . 1 A +Q 616 12 HOH . 1 A +Q 617 12 HOH . 1 A +Q 618 12 HOH . 1 A +Q 619 12 HOH . 1 A +Q 620 12 HOH . 1 A +Q 621 12 HOH . 1 A +Q 622 12 HOH . 1 A +Q 623 12 HOH . 1 A +Q 624 12 HOH . 1 A +Q 625 12 HOH . 1 A +Q 626 12 HOH . 1 A +Q 627 12 HOH . 1 A +Q 628 12 HOH . 1 A +Q 629 12 HOH . 1 A +Q 630 12 HOH . 1 A +Q 631 12 HOH . 1 A +Q 632 12 HOH . 1 A +Q 633 12 HOH . 1 A +Q 634 12 HOH . 1 A +Q 635 12 HOH . 1 A +Q 636 12 HOH . 1 A +Q 637 12 HOH . 1 A +Q 638 12 HOH . 1 A +Q 639 12 HOH . 1 A +Q 640 12 HOH . 1 A +Q 641 12 HOH . 1 A +Q 642 12 HOH . 1 A +Q 643 12 HOH . 1 A +Q 644 12 HOH . 1 A +Q 645 12 HOH . 1 A +Q 646 12 HOH . 1 A +Q 647 12 HOH . 1 A +Q 648 12 HOH . 1 A +Q 649 12 HOH . 1 A +Q 650 12 HOH . 1 A +Q 651 12 HOH . 1 A +Q 652 12 HOH . 1 A +Q 653 12 HOH . 1 A +Q 654 12 HOH . 1 A +Q 655 12 HOH . 1 A +Q 656 12 HOH . 1 A +Q 657 12 HOH . 1 A +Q 658 12 HOH . 1 A +Q 659 12 HOH . 1 A +Q 660 12 HOH . 1 A +Q 661 12 HOH . 1 A +Q 662 12 HOH . 1 A +Q 663 12 HOH . 1 A +Q 664 12 HOH . 1 A +Q 665 12 HOH . 1 A +Q 666 12 HOH . 1 A +Q 667 12 HOH . 1 A +Q 668 12 HOH . 1 A +Q 669 12 HOH . 1 A +Q 670 12 HOH . 1 A +Q 671 12 HOH . 1 A +Q 672 12 HOH . 1 A +Q 673 12 HOH . 1 A +Q 674 12 HOH . 1 A +Q 675 12 HOH . 1 A +Q 676 12 HOH . 1 A +Q 677 12 HOH . 1 A +Q 678 12 HOH . 1 A +Q 679 12 HOH . 1 A +Q 680 12 HOH . 1 A +Q 681 12 HOH . 1 A +Q 682 12 HOH . 1 A +Q 683 12 HOH . 1 A +Q 684 12 HOH . 1 A +Q 685 12 HOH . 1 A +Q 686 12 HOH . 1 A +Q 687 12 HOH . 1 A +Q 688 12 HOH . 1 A +Q 689 12 HOH . 1 A +Q 690 12 HOH . 1 A +Q 691 12 HOH . 1 A +Q 692 12 HOH . 1 A +Q 693 12 HOH . 1 A +Q 694 12 HOH . 1 A +Q 695 12 HOH . 1 A +Q 696 12 HOH . 1 A +Q 697 12 HOH . 1 A +Q 698 12 HOH . 1 A +Q 699 12 HOH . 1 A +Q 700 12 HOH . 1 A +Q 701 12 HOH . 1 A +Q 702 12 HOH . 1 A +Q 703 12 HOH . 1 A +Q 704 12 HOH . 1 A +Q 705 12 HOH . 1 A +Q 706 12 HOH . 1 A +Q 707 12 HOH . 1 A +Q 708 12 HOH . 1 A +Q 709 12 HOH . 1 A +Q 710 12 HOH . 1 A +Q 711 12 HOH . 1 A +Q 712 12 HOH . 1 A +Q 713 12 HOH . 1 A +Q 714 12 HOH . 1 A +Q 715 12 HOH . 1 A +Q 716 12 HOH . 1 A +Q 717 12 HOH . 1 A +Q 718 12 HOH . 1 A +Q 719 12 HOH . 1 A +Q 720 12 HOH . 1 A +Q 721 12 HOH . 1 A +Q 722 12 HOH . 1 A +Q 723 12 HOH . 1 A +Q 724 12 HOH . 1 A +Q 725 12 HOH . 1 A +Q 726 12 HOH . 1 A +Q 727 12 HOH . 1 A +Q 728 12 HOH . 1 A +Q 729 12 HOH . 1 A +Q 730 12 HOH . 1 A +Q 731 12 HOH . 1 A +Q 732 12 HOH . 1 A +Q 733 12 HOH . 1 A +Q 734 12 HOH . 1 A +Q 735 12 HOH . 1 A +Q 736 12 HOH . 1 A +Q 737 12 HOH . 1 A +Q 738 12 HOH . 1 A +Q 739 12 HOH . 1 A +Q 740 12 HOH . 1 A +Q 741 12 HOH . 1 A +Q 742 12 HOH . 1 A +Q 743 12 HOH . 1 A +Q 744 12 HOH . 1 A +Q 745 12 HOH . 1 A +Q 746 12 HOH . 1 A +Q 747 12 HOH . 1 A +Q 748 12 HOH . 1 A +Q 749 12 HOH . 1 A +Q 750 12 HOH . 1 A +Q 751 12 HOH . 1 A +Q 752 12 HOH . 1 A +Q 753 12 HOH . 1 A +Q 754 12 HOH . 1 A +Q 755 12 HOH . 1 A +Q 756 12 HOH . 1 A +Q 757 12 HOH . 1 A +Q 758 12 HOH . 1 A +Q 759 12 HOH . 1 A +Q 760 12 HOH . 1 A +Q 761 12 HOH . 1 A +Q 762 12 HOH . 1 A +Q 763 12 HOH . 1 A +Q 764 12 HOH . 1 A +Q 765 12 HOH . 1 A +Q 766 12 HOH . 1 A +Q 767 12 HOH . 1 A +Q 768 12 HOH . 1 A +Q 769 12 HOH . 1 A +Q 770 12 HOH . 1 A +Q 771 12 HOH . 1 A +Q 772 12 HOH . 1 A +Q 773 12 HOH . 1 A +Q 774 12 HOH . 1 A +Q 775 12 HOH . 1 A +Q 776 12 HOH . 1 A +Q 777 12 HOH . 1 A +Q 778 12 HOH . 1 A +Q 779 12 HOH . 1 A +Q 780 12 HOH . 1 A +Q 781 12 HOH . 1 A +Q 782 12 HOH . 1 A +Q 783 12 HOH . 1 A +Q 784 12 HOH . 1 A +Q 785 12 HOH . 1 A +Q 786 12 HOH . 1 A +Q 787 12 HOH . 1 A +Q 788 12 HOH . 1 A +Q 789 12 HOH . 1 A +Q 790 12 HOH . 1 A +Q 791 12 HOH . 1 A +Q 792 12 HOH . 1 A +Q 793 12 HOH . 1 A +Q 794 12 HOH . 1 A +Q 795 12 HOH . 1 A +Q 796 12 HOH . 1 A +Q 797 12 HOH . 1 A +Q 798 12 HOH . 1 A +Q 799 12 HOH . 1 A +Q 800 12 HOH . 1 A +Q 801 12 HOH . 1 A +Q 802 12 HOH . 1 A +Q 803 12 HOH . 1 A +Q 804 12 HOH . 1 A +Q 805 12 HOH . 1 A +Q 806 12 HOH . 1 A +Q 807 12 HOH . 1 A +Q 808 12 HOH . 1 A +Q 809 12 HOH . 1 A +Q 810 12 HOH . 1 A +Q 811 12 HOH . 1 A +Q 812 12 HOH . 1 A +Q 813 12 HOH . 1 A +Q 814 12 HOH . 1 A +Q 815 12 HOH . 1 A +Q 816 12 HOH . 1 A +Q 817 12 HOH . 1 A +Q 818 12 HOH . 1 A +Q 819 12 HOH . 1 A +Q 820 12 HOH . 1 A +Q 821 12 HOH . 1 A +Q 822 12 HOH . 1 A +Q 823 12 HOH . 1 A +Q 824 12 HOH . 1 A +Q 825 12 HOH . 1 A +Q 826 12 HOH . 1 A +Q 827 12 HOH . 1 A +Q 828 12 HOH . 1 A +Q 829 12 HOH . 1 A +Q 830 12 HOH . 1 A +Q 831 12 HOH . 1 A +Q 832 12 HOH . 1 A +Q 833 12 HOH . 1 A +Q 834 12 HOH . 1 A +Q 835 12 HOH . 1 A +Q 836 12 HOH . 1 A +Q 837 12 HOH . 1 A +Q 838 12 HOH . 1 A +Q 839 12 HOH . 1 A +Q 840 12 HOH . 1 A +Q 841 12 HOH . 1 A +Q 842 12 HOH . 1 A +Q 843 12 HOH . 1 A +Q 844 12 HOH . 1 A +Q 845 12 HOH . 1 A +Q 846 12 HOH . 1 A +Q 847 12 HOH . 1 A +Q 848 12 HOH . 1 A +Q 849 12 HOH . 1 A +Q 850 12 HOH . 1 A +Q 851 12 HOH . 1 A +Q 852 12 HOH . 1 A +Q 853 12 HOH . 1 A +Q 854 12 HOH . 1 A +Q 855 12 HOH . 1 A +Q 856 12 HOH . 1 A +Q 857 12 HOH . 1 A +Q 858 12 HOH . 1 A +Q 859 12 HOH . 1 A +Q 860 12 HOH . 1 A +Q 861 12 HOH . 1 A +Q 862 12 HOH . 1 A +Q 863 12 HOH . 1 A +Q 864 12 HOH . 1 A +Q 865 12 HOH . 1 A +Q 866 12 HOH . 1 A +Q 867 12 HOH . 1 A +Q 868 12 HOH . 1 A +Q 869 12 HOH . 1 A +Q 870 12 HOH . 1 A +Q 871 12 HOH . 1 A +Q 872 12 HOH . 1 A +Q 873 12 HOH . 1 A +Q 874 12 HOH . 1 A +Q 875 12 HOH . 1 A +Q 876 12 HOH . 1 A +Q 877 12 HOH . 1 A +Q 878 12 HOH . 1 A +Q 879 12 HOH . 1 A +Q 880 12 HOH . 1 A +Q 881 12 HOH . 1 A +Q 882 12 HOH . 1 A +Q 883 12 HOH . 1 A +Q 884 12 HOH . 1 A +Q 885 12 HOH . 1 A +Q 886 12 HOH . 1 A +Q 887 12 HOH . 1 A +Q 888 12 HOH . 1 A +Q 889 12 HOH . 1 A +Q 890 12 HOH . 1 A +Q 891 12 HOH . 1 A +Q 892 12 HOH . 1 A +Q 893 12 HOH . 1 A +Q 894 12 HOH . 1 A +Q 895 12 HOH . 1 A +Q 896 12 HOH . 1 A +Q 897 12 HOH . 1 A +Q 898 12 HOH . 1 A +Q 899 12 HOH . 1 A +Q 900 12 HOH . 1 A +Q 901 12 HOH . 1 A +Q 902 12 HOH . 1 A +Q 903 12 HOH . 1 A +Q 904 12 HOH . 1 A +Q 905 12 HOH . 1 A +Q 906 12 HOH . 1 A +Q 907 12 HOH . 1 A +Q 908 12 HOH . 1 A +Q 909 12 HOH . 1 A +Q 910 12 HOH . 1 A +Q 911 12 HOH . 1 A +Q 912 12 HOH . 1 A +Q 913 12 HOH . 1 A +Q 914 12 HOH . 1 A +Q 915 12 HOH . 1 A +Q 916 12 HOH . 1 A +Q 917 12 HOH . 1 A +Q 918 12 HOH . 1 A +Q 919 12 HOH . 1 A +Q 920 12 HOH . 1 A +Q 921 12 HOH . 1 A +Q 922 12 HOH . 1 A +Q 923 12 HOH . 1 A +Q 924 12 HOH . 1 A +Q 925 12 HOH . 1 A +Q 926 12 HOH . 1 A +Q 927 12 HOH . 1 A +Q 928 12 HOH . 1 A +Q 929 12 HOH . 1 A +Q 930 12 HOH . 1 A +Q 931 12 HOH . 1 A +Q 932 12 HOH . 1 A +Q 933 12 HOH . 1 A # loop_ _pdbx_poly_seq_scheme.asym_id @@ -901,795 +900,362 @@ _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id -A1 -9 1 n MET . 1 A1 1 -A1 -8 1 n TRP . 2 A1 2 -A1 -7 1 n SER . 3 A1 3 -A1 -6 1 n HIS . 4 A1 4 -A1 -5 1 n PRO . 5 A1 5 -A1 -4 1 n GLN . 6 A1 6 -A1 -3 1 n PHE . 7 A1 7 -A1 -2 1 n GLU . 8 A1 8 -A1 -1 1 n LYS . 9 A1 9 -A1 0 1 n ALA . 10 A1 10 -A1 1 1 n SER . 11 A1 11 -A1 2 1 n THR . 12 A1 12 -A1 3 1 n GLY . 13 A1 13 -A1 4 1 n ARG . 14 A1 14 -A1 5 1 n GLU . 15 A1 15 -A1 6 1 n ILE . 16 A1 16 -A1 7 1 n LEU . 17 A1 17 -A1 8 1 n GLU . 18 A1 18 -A1 9 1 n LYS . 19 A1 19 -A1 10 1 n LEU . 20 A1 20 -A1 11 1 n GLU . 21 A1 21 -A1 12 1 n ARG . 22 A1 22 -A1 13 1 n ARG . 23 A1 23 -A1 14 1 n GLU . 24 A1 24 -A1 15 1 n PHE . 25 A1 25 -A1 16 1 n THR . 26 A1 26 -A1 17 1 n ARG . 27 A1 27 -A1 18 1 n GLU . 28 A1 28 -A1 19 1 n VAL . 29 A1 29 -A1 20 1 n LEU . 30 A1 30 -A1 21 1 n LYS . 31 A1 31 -A1 22 1 n GLU . 32 A1 32 -A1 23 1 n ALA . 33 A1 33 -A1 24 1 n LEU . 34 A1 34 -A1 25 1 n SER . 35 A1 35 -A1 26 1 n ILE . 36 A1 36 -A1 27 1 n ASN . 37 A1 37 -A1 28 1 n ASP . 38 A1 38 -A1 29 1 n ARG . 39 A1 39 -A1 30 1 n GLY . 40 A1 40 -A1 31 1 n PHE . 41 A1 41 -A1 32 1 n ASN . 42 A1 42 -A1 33 1 n GLU . 43 A1 43 -A1 34 1 n ALA . 44 A1 44 -A1 35 1 n LEU . 45 A1 45 -A1 36 1 n PHE . 46 A1 46 -A1 37 1 n LYS . 47 A1 47 -A1 38 1 n LEU . 48 A1 48 -A1 39 1 n ALA . 49 A1 49 -A1 40 1 n ASP . 50 A1 50 -A1 41 1 n GLU . 51 A1 51 -A1 42 1 n ILE . 52 A1 52 -A1 43 1 n ARG . 53 A1 53 -A1 44 1 n ARG . 54 A1 54 -A1 45 1 n LYS . 55 A1 55 -A1 46 1 n TYR . 56 A1 56 -A1 47 1 n VAL . 57 A1 57 -A1 48 1 n GLY . 58 A1 58 -A1 49 1 n ASP . 59 A1 59 -A1 50 1 n GLU . 60 A1 60 -A1 51 1 n VAL . 61 A1 61 -A1 52 1 n HIS . 62 A1 62 -A1 53 1 n ILE . 63 A1 63 -A1 54 1 n ARG . 64 A1 64 -A1 55 1 n ALA . 65 A1 65 -A1 56 1 n ILE . 66 A1 66 -A1 57 1 n ILE . 67 A1 67 -A1 58 1 n GLU . 68 A1 68 -A1 59 1 n PHE . 69 A1 69 -A1 60 1 n SER . 70 A1 70 -A1 61 1 n ASN . 71 A1 71 -A1 62 1 n VAL . 72 A1 72 -A1 63 1 n CYS . 73 A1 73 -A1 64 1 n ARG . 74 A1 74 -A1 65 1 n LYS . 75 A1 75 -A1 66 1 n ASN . 76 A1 76 -A1 67 1 n CYS . 77 A1 77 -A1 68 1 n LEU . 78 A1 78 -A1 69 1 n TYR . 79 A1 79 -A1 70 1 n CYS . 80 A1 80 -A1 71 1 n GLY . 81 A1 81 -A1 72 1 n LEU . 82 A1 82 -A1 73 1 n ARG . 83 A1 83 -A1 74 1 n ARG . 84 A1 84 -A1 75 1 n ASP . 85 A1 85 -A1 76 1 n ASN . 86 A1 86 -A1 77 1 n LYS . 87 A1 87 -A1 78 1 n ASN . 88 A1 88 -A1 79 1 n LEU . 89 A1 89 -A1 80 1 n LYS . 90 A1 90 -A1 81 1 n ARG . 91 A1 91 -A1 82 1 n TYR . 92 A1 92 -A1 83 1 n ARG . 93 A1 93 -A1 84 1 n MET . 94 A1 94 -A1 85 1 n THR . 95 A1 95 -A1 86 1 n PRO . 96 A1 96 -A1 87 1 n GLU . 97 A1 97 -A1 88 1 n GLU . 98 A1 98 -A1 89 1 n ILE . 99 A1 99 -A1 90 1 n VAL . 100 A1 100 -A1 91 1 n GLU . 101 A1 101 -A1 92 1 n ARG . 102 A1 102 -A1 93 1 n ALA . 103 A1 103 -A1 94 1 n ARG . 104 A1 104 -A1 95 1 n LEU . 105 A1 105 -A1 96 1 n ALA . 106 A1 106 -A1 97 1 n VAL . 107 A1 107 -A1 98 1 n GLN . 108 A1 108 -A1 99 1 n PHE . 109 A1 109 -A1 100 1 n GLY . 110 A1 110 -A1 101 1 n ALA . 111 A1 111 -A1 102 1 n LYS . 112 A1 112 -A1 103 1 n THR . 113 A1 113 -A1 104 1 n ILE . 114 A1 114 -A1 105 1 n VAL . 115 A1 115 -A1 106 1 n LEU . 116 A1 116 -A1 107 1 n GLN . 117 A1 117 -A1 108 1 n SER . 118 A1 118 -A1 109 1 n GLY . 119 A1 119 -A1 110 1 n GLU . 120 A1 120 -A1 111 1 n ASP . 121 A1 121 -A1 112 1 n PRO . 122 A1 122 -A1 113 1 n TYR . 123 A1 123 -A1 114 1 n TYR . 124 A1 124 -A1 115 1 n MET . 125 A1 125 -A1 116 1 n PRO . 126 A1 126 -A1 117 1 n ASP . 127 A1 127 -A1 118 1 n VAL . 128 A1 128 -A1 119 1 n ILE . 129 A1 129 -A1 120 1 n SER . 130 A1 130 -A1 121 1 n ASP . 131 A1 131 -A1 122 1 n ILE . 132 A1 132 -A1 123 1 n VAL . 133 A1 133 -A1 124 1 n LYS . 134 A1 134 -A1 125 1 n GLU . 135 A1 135 -A1 126 1 n ILE . 136 A1 136 -A1 127 1 n LYS . 137 A1 137 -A1 128 1 n LYS . 138 A1 138 -A1 129 1 n MET . 139 A1 139 -A1 130 1 n GLY . 140 A1 140 -A1 131 1 n VAL . 141 A1 141 -A1 132 1 n ALA . 142 A1 142 -A1 133 1 n VAL . 143 A1 143 -A1 134 1 n THR . 144 A1 144 -A1 135 1 n LEU . 145 A1 145 -A1 136 1 n SER . 146 A1 146 -A1 137 1 n LEU . 147 A1 147 -A1 138 1 n GLY . 148 A1 148 -A1 139 1 n GLU . 149 A1 149 -A1 140 1 n TRP . 150 A1 150 -A1 141 1 n PRO . 151 A1 151 -A1 142 1 n ARG . 152 A1 152 -A1 143 1 n GLU . 153 A1 153 -A1 144 1 n TYR . 154 A1 154 -A1 145 1 n TYR . 155 A1 155 -A1 146 1 n GLU . 156 A1 156 -A1 147 1 n LYS . 157 A1 157 -A1 148 1 n TRP . 158 A1 158 -A1 149 1 n LYS . 159 A1 159 -A1 150 1 n GLU . 160 A1 160 -A1 151 1 n ALA . 161 A1 161 -A1 152 1 n GLY . 162 A1 162 -A1 153 1 n ALA . 163 A1 163 -A1 154 1 n ASP . 164 A1 164 -A1 155 1 n ARG . 165 A1 165 -A1 156 1 n TYR . 166 A1 166 -A1 157 1 n LEU . 167 A1 167 -A1 158 1 n LEU . 168 A1 168 -A1 159 1 n ARG . 169 A1 169 -A1 160 1 n HIS . 170 A1 170 -A1 161 1 n GLU . 171 A1 171 -A1 162 1 n THR . 172 A1 172 -A1 163 1 n ALA . 173 A1 173 -A1 164 1 n ASN . 174 A1 174 -A1 165 1 n PRO . 175 A1 175 -A1 166 1 n VAL . 176 A1 176 -A1 167 1 n LEU . 177 A1 177 -A1 168 1 n HIS . 178 A1 178 -A1 169 1 n ARG . 179 A1 179 -A1 170 1 n LYS . 180 A1 180 -A1 171 1 n LEU . 181 A1 181 -A1 172 1 n ARG . 182 A1 182 -A1 173 1 n PRO . 183 A1 183 -A1 174 1 n ASP . 184 A1 184 -A1 175 1 n THR . 185 A1 185 -A1 176 1 n SER . 186 A1 186 -A1 177 1 n PHE . 187 A1 187 -A1 178 1 n GLU . 188 A1 188 -A1 179 1 n ASN . 189 A1 189 -A1 180 1 n ARG . 190 A1 190 -A1 181 1 n LEU . 191 A1 191 -A1 182 1 n ASN . 192 A1 192 -A1 183 1 n CYS . 193 A1 193 -A1 184 1 n LEU . 194 A1 194 -A1 185 1 n LEU . 195 A1 195 -A1 186 1 n THR . 196 A1 196 -A1 187 1 n LEU . 197 A1 197 -A1 188 1 n LYS . 198 A1 198 -A1 189 1 n GLU . 199 A1 199 -A1 190 1 n LEU . 200 A1 200 -A1 191 1 n GLY . 201 A1 201 -A1 192 1 n TYR . 202 A1 202 -A1 193 1 n GLU . 203 A1 203 -A1 194 1 n THR . 204 A1 204 -A1 195 1 n GLY . 205 A1 205 -A1 196 1 n ALA . 206 A1 206 -A1 197 1 n GLY . 207 A1 207 -A1 198 1 n SER . 208 A1 208 -A1 199 1 n MET . 209 A1 209 -A1 200 1 n VAL . 210 A1 210 -A1 201 1 n GLY . 211 A1 211 -A1 202 1 n LEU . 212 A1 212 -A1 203 1 n PRO . 213 A1 213 -A1 204 1 n GLY . 214 A1 214 -A1 205 1 n GLN . 215 A1 215 -A1 206 1 n THR . 216 A1 216 -A1 207 1 n ILE . 217 A1 217 -A1 208 1 n ASP . 218 A1 218 -A1 209 1 n ASP . 219 A1 219 -A1 210 1 n LEU . 220 A1 220 -A1 211 1 n VAL . 221 A1 221 -A1 212 1 n ASP . 222 A1 222 -A1 213 1 n ASP . 223 A1 223 -A1 214 1 n LEU . 224 A1 224 -A1 215 1 n LEU . 225 A1 225 -A1 216 1 n PHE . 226 A1 226 -A1 217 1 n LEU . 227 A1 227 -A1 218 1 n LYS . 228 A1 228 -A1 219 1 n GLU . 229 A1 229 -A1 220 1 n HIS . 230 A1 230 -A1 221 1 n ASP . 231 A1 231 -A1 222 1 n PHE . 232 A1 232 -A1 223 1 n ASP . 233 A1 233 -A1 224 1 n MET . 234 A1 234 -A1 225 1 n VAL . 235 A1 235 -A1 226 1 n GLY . 236 A1 236 -A1 227 1 n ILE . 237 A1 237 -A1 228 1 n GLY . 238 A1 238 -A1 229 1 n PRO . 239 A1 239 -A1 230 1 n PHE . 240 A1 240 -A1 231 1 n ILE . 241 A1 241 -A1 232 1 n PRO . 242 A1 242 -A1 233 1 n HIS . 243 A1 243 -A1 234 1 n PRO . 244 A1 244 -A1 235 1 n ASP . 245 A1 245 -A1 236 1 n THR . 246 A1 246 -A1 237 1 n PRO . 247 A1 247 -A1 238 1 n LEU . 248 A1 248 -A1 239 1 n ALA . 249 A1 249 -A1 240 1 n ASN . 250 A1 250 -A1 241 1 n GLU . 251 A1 251 -A1 242 1 n LYS . 252 A1 252 -A1 243 1 n LYS . 253 A1 253 -A1 244 1 n GLY . 254 A1 254 -A1 245 1 n ASP . 255 A1 255 -A1 246 1 n PHE . 256 A1 256 -A1 247 1 n THR . 257 A1 257 -A1 248 1 n LEU . 258 A1 258 -A1 249 1 n THR . 259 A1 259 -A1 250 1 n LEU . 260 A1 260 -A1 251 1 n LYS . 261 A1 261 -A1 252 1 n MET . 262 A1 262 -A1 253 1 n VAL . 263 A1 263 -A1 254 1 n ALA . 264 A1 264 -A1 255 1 n LEU . 265 A1 265 -A1 256 1 n THR . 266 A1 266 -A1 257 1 n ARG . 267 A1 267 -A1 258 1 n ILE . 268 A1 268 -A1 259 1 n LEU . 269 A1 269 -A1 260 1 n LEU . 270 A1 270 -A1 261 1 n PRO . 271 A1 271 -A1 262 1 n ASP . 272 A1 272 -A1 263 1 n SER . 273 A1 273 -A1 264 1 n ASN . 274 A1 274 -A1 265 1 n ILE . 275 A1 275 -A1 266 1 n PRO . 276 A1 276 -A1 267 1 n ALA . 277 A1 277 -A1 268 1 n THR . 278 A1 278 -A1 269 1 n THR . 279 A1 279 -A1 270 1 n ALA . 280 A1 280 -A1 271 1 n MET . 281 A1 281 -A1 272 1 n GLY . 282 A1 282 -A1 273 1 n THR . 283 A1 283 -A1 274 1 n ILE . 284 A1 284 -A1 275 1 n VAL . 285 A1 285 -A1 276 1 n PRO . 286 A1 286 -A1 277 1 n GLY . 287 A1 287 -A1 278 1 n GLY . 288 A1 288 -A1 279 1 n ARG . 289 A1 289 -A1 280 1 n GLU . 290 A1 290 -A1 281 1 n ILE . 291 A1 291 -A1 282 1 n THR . 292 A1 292 -A1 283 1 n LEU . 293 A1 293 -A1 284 1 n ARG . 294 A1 294 -A1 285 1 n CYS . 295 A1 295 -A1 286 1 n GLY . 296 A1 296 -A1 287 1 n ALA . 297 A1 297 -A1 288 1 n ASN . 298 A1 298 -A1 289 1 n VAL . 299 A1 299 -A1 290 1 n ILE . 300 A1 300 -A1 291 1 n MET . 301 A1 301 -A1 292 1 n PRO . 302 A1 302 -A1 293 1 n ASN . 303 A1 303 -A1 294 1 n TRP . 304 A1 304 -A1 295 1 n THR . 305 A1 305 -A1 296 1 n PRO . 306 A1 306 -A1 297 1 n SER . 307 A1 307 -A1 298 1 n PRO . 308 A1 308 -A1 299 1 n TYR . 309 A1 309 -A1 300 1 n ARG . 310 A1 310 -A1 301 1 n GLN . 311 A1 311 -A1 302 1 n LEU . 312 A1 312 -A1 303 1 n TYR . 313 A1 313 -A1 304 1 n GLN . 314 A1 314 -A1 305 1 n LEU . 315 A1 315 -A1 306 1 n TYR . 316 A1 316 -A1 307 1 n PRO . 317 A1 317 -A1 308 1 n GLY . 318 A1 318 -A1 309 1 n LYS . 319 A1 319 -A1 310 1 n ILE . 320 A1 320 -A1 311 1 n SER . 321 A1 321 -A1 312 1 n VAL . 322 A1 322 -A1 313 1 n PHE . 323 A1 323 -A1 314 1 n GLU . 324 A1 324 -A1 315 1 n LYS . 325 A1 325 -A1 316 1 n ASP . 326 A1 326 -A1 317 1 n THR . 327 A1 327 -A1 318 1 n ALA . 328 A1 328 -A1 319 1 n SER . 329 A1 329 -A1 320 1 n ILE . 330 A1 330 -A1 321 1 n PRO . 331 A1 331 -A1 322 1 n SER . 332 A1 332 -A1 323 1 n VAL . 333 A1 333 -A1 324 1 n MET . 334 A1 334 -A1 325 1 n LYS . 335 A1 335 -A1 326 1 n MET . 336 A1 336 -A1 327 1 n ILE . 337 A1 337 -A1 328 1 n GLU . 338 A1 338 -A1 329 1 n LEU . 339 A1 339 -A1 330 1 n LEU . 340 A1 340 -A1 331 1 n GLY . 341 A1 341 -A1 332 1 n ARG . 342 A1 342 -A1 333 1 n LYS . 343 A1 343 -A1 334 1 n PRO . 344 A1 344 -A1 335 1 n GLY . 345 A1 345 -A1 336 1 n ARG . 346 A1 346 -A1 337 1 n ASP . 347 A1 347 -A1 338 1 n TRP . 348 A1 348 -A1 339 1 n GLY . 349 A1 349 -A1 340 1 n GLY . 350 A1 350 -A1 341 1 n ARG . 351 A1 351 -A1 342 1 n LYS . 352 A1 352 -A1 343 1 n ARG . 353 A1 353 -A1 344 1 n VAL . 354 A1 354 -A1 345 1 n PHE . 355 A1 355 -A1 346 1 n THR . 356 A1 356 -Q12 501 17 y HOH . 1 Q12 1 -Q12 502 17 y HOH . 2 Q12 2 -Q12 503 17 y HOH . 3 Q12 3 -Q12 504 17 y HOH . 4 Q12 4 -Q12 505 17 y HOH . 5 Q12 5 -Q12 506 17 y HOH . 6 Q12 6 -Q12 507 17 y HOH . 7 Q12 7 -Q12 508 17 y HOH . 8 Q12 8 -Q12 509 17 y HOH . 9 Q12 9 -Q12 510 17 y HOH . 10 Q12 10 -Q12 511 17 y HOH . 11 Q12 11 -Q12 512 17 y HOH . 12 Q12 12 -Q12 513 17 y HOH . 13 Q12 13 -Q12 514 17 y HOH . 14 Q12 14 -Q12 515 17 y HOH . 15 Q12 15 -Q12 516 17 y HOH . 16 Q12 16 -Q12 517 17 y HOH . 17 Q12 17 -Q12 518 17 y HOH . 18 Q12 18 -Q12 519 17 y HOH . 19 Q12 19 -Q12 520 17 y HOH . 20 Q12 20 -Q12 521 17 y HOH . 21 Q12 21 -Q12 522 17 y HOH . 22 Q12 22 -Q12 523 17 y HOH . 23 Q12 23 -Q12 524 17 y HOH . 24 Q12 24 -Q12 525 17 y HOH . 25 Q12 25 -Q12 526 17 y HOH . 26 Q12 26 -Q12 527 17 y HOH . 27 Q12 27 -Q12 528 17 y HOH . 28 Q12 28 -Q12 529 17 y HOH . 29 Q12 29 -Q12 530 17 y HOH . 30 Q12 30 -Q12 531 17 y HOH . 31 Q12 31 -Q12 532 17 y HOH . 32 Q12 32 -Q12 533 17 y HOH . 33 Q12 33 -Q12 534 17 y HOH . 34 Q12 34 -Q12 535 17 y HOH . 35 Q12 35 -Q12 536 17 y HOH . 36 Q12 36 -Q12 537 17 y HOH . 37 Q12 37 -Q12 538 17 y HOH . 38 Q12 38 -Q12 539 17 y HOH . 39 Q12 39 -Q12 540 17 y HOH . 40 Q12 40 -Q12 541 17 y HOH . 41 Q12 41 -Q12 542 17 y HOH . 42 Q12 42 -Q12 543 17 y HOH . 43 Q12 43 -Q12 544 17 y HOH . 44 Q12 44 -Q12 545 17 y HOH . 45 Q12 45 -Q12 546 17 y HOH . 46 Q12 46 -Q12 547 17 y HOH . 47 Q12 47 -Q12 548 17 y HOH . 48 Q12 48 -Q12 549 17 y HOH . 49 Q12 49 -Q12 550 17 y HOH . 50 Q12 50 -Q12 551 17 y HOH . 51 Q12 51 -Q12 552 17 y HOH . 52 Q12 52 -Q12 553 17 y HOH . 53 Q12 53 -Q12 554 17 y HOH . 54 Q12 54 -Q12 555 17 y HOH . 55 Q12 55 -Q12 556 17 y HOH . 56 Q12 56 -Q12 557 17 y HOH . 57 Q12 57 -Q12 558 17 y HOH . 58 Q12 58 -Q12 559 17 y HOH . 59 Q12 59 -Q12 560 17 y HOH . 60 Q12 60 -Q12 561 17 y HOH . 61 Q12 61 -Q12 562 17 y HOH . 62 Q12 62 -Q12 563 17 y HOH . 63 Q12 63 -Q12 564 17 y HOH . 64 Q12 64 -Q12 565 17 y HOH . 65 Q12 65 -Q12 566 17 y HOH . 66 Q12 66 -Q12 567 17 y HOH . 67 Q12 67 -Q12 568 17 y HOH . 68 Q12 68 -Q12 569 17 y HOH . 69 Q12 69 -Q12 570 17 y HOH . 70 Q12 70 -Q12 571 17 y HOH . 71 Q12 71 -Q12 572 17 y HOH . 72 Q12 72 -Q12 573 17 y HOH . 73 Q12 73 -Q12 574 17 y HOH . 74 Q12 74 -Q12 575 17 y HOH . 75 Q12 75 -Q12 576 17 y HOH . 76 Q12 76 -Q12 577 17 y HOH . 77 Q12 77 -Q12 578 17 y HOH . 78 Q12 78 -Q12 579 17 y HOH . 79 Q12 79 -Q12 580 17 y HOH . 80 Q12 80 -Q12 581 17 y HOH . 81 Q12 81 -Q12 582 17 y HOH . 82 Q12 82 -Q12 583 17 y HOH . 83 Q12 83 -Q12 584 17 y HOH . 84 Q12 84 -Q12 585 17 y HOH . 85 Q12 85 -Q12 586 17 y HOH . 86 Q12 86 -Q12 587 17 y HOH . 87 Q12 87 -Q12 588 17 y HOH . 88 Q12 88 -Q12 589 17 y HOH . 89 Q12 89 -Q12 590 17 y HOH . 90 Q12 90 -Q12 591 17 y HOH . 91 Q12 91 -Q12 592 17 y HOH . 92 Q12 92 -Q12 593 17 y HOH . 93 Q12 93 -Q12 594 17 y HOH . 94 Q12 94 -Q12 595 17 y HOH . 95 Q12 95 -Q12 596 17 y HOH . 96 Q12 96 -Q12 597 17 y HOH . 97 Q12 97 -Q12 598 17 y HOH . 98 Q12 98 -Q12 599 17 y HOH . 99 Q12 99 -Q12 600 17 y HOH . 100 Q12 100 -Q12 601 17 y HOH . 101 Q12 101 -Q12 602 17 y HOH . 102 Q12 102 -Q12 603 17 y HOH . 103 Q12 103 -Q12 604 17 y HOH . 104 Q12 104 -Q12 605 17 y HOH . 105 Q12 105 -Q12 606 17 y HOH . 106 Q12 106 -Q12 607 17 y HOH . 107 Q12 107 -Q12 608 17 y HOH . 108 Q12 108 -Q12 609 17 y HOH . 109 Q12 109 -Q12 610 17 y HOH . 110 Q12 110 -Q12 611 17 y HOH . 111 Q12 111 -Q12 612 17 y HOH . 112 Q12 112 -Q12 613 17 y HOH . 113 Q12 113 -Q12 614 17 y HOH . 114 Q12 114 -Q12 615 17 y HOH . 115 Q12 115 -Q12 616 17 y HOH . 116 Q12 116 -Q12 617 17 y HOH . 117 Q12 117 -Q12 618 17 y HOH . 118 Q12 118 -Q12 619 17 y HOH . 119 Q12 119 -Q12 620 17 y HOH . 120 Q12 120 -Q12 621 17 y HOH . 121 Q12 121 -Q12 622 17 y HOH . 122 Q12 122 -Q12 623 17 y HOH . 123 Q12 123 -Q12 624 17 y HOH . 124 Q12 124 -Q12 625 17 y HOH . 125 Q12 125 -Q12 626 17 y HOH . 126 Q12 126 -Q12 627 17 y HOH . 127 Q12 127 -Q12 628 17 y HOH . 128 Q12 128 -Q12 629 17 y HOH . 129 Q12 129 -Q12 630 17 y HOH . 130 Q12 130 -Q12 631 17 y HOH . 131 Q12 131 -Q12 632 17 y HOH . 132 Q12 132 -Q12 633 17 y HOH . 133 Q12 133 -Q12 634 17 y HOH . 134 Q12 134 -Q12 635 17 y HOH . 135 Q12 135 -Q12 636 17 y HOH . 136 Q12 136 -Q12 637 17 y HOH . 137 Q12 137 -Q12 638 17 y HOH . 138 Q12 138 -Q12 639 17 y HOH . 139 Q12 139 -Q12 640 17 y HOH . 140 Q12 140 -Q12 641 17 y HOH . 141 Q12 141 -Q12 642 17 y HOH . 142 Q12 142 -Q12 643 17 y HOH . 143 Q12 143 -Q12 644 17 y HOH . 144 Q12 144 -Q12 645 17 y HOH . 145 Q12 145 -Q12 646 17 y HOH . 146 Q12 146 -Q12 647 17 y HOH . 147 Q12 147 -Q12 648 17 y HOH . 148 Q12 148 -Q12 649 17 y HOH . 149 Q12 149 -Q12 650 17 y HOH . 150 Q12 150 -Q12 651 17 y HOH . 151 Q12 151 -Q12 652 17 y HOH . 152 Q12 152 -Q12 653 17 y HOH . 153 Q12 153 -Q12 654 17 y HOH . 154 Q12 154 -Q12 655 17 y HOH . 155 Q12 155 -Q12 656 17 y HOH . 156 Q12 156 -Q12 657 17 y HOH . 157 Q12 157 -Q12 658 17 y HOH . 158 Q12 158 -Q12 659 17 y HOH . 159 Q12 159 -Q12 660 17 y HOH . 160 Q12 160 -Q12 661 17 y HOH . 161 Q12 161 -Q12 662 17 y HOH . 162 Q12 162 -Q12 663 17 y HOH . 163 Q12 163 -Q12 664 17 y HOH . 164 Q12 164 -Q12 665 17 y HOH . 165 Q12 165 -Q12 666 17 y HOH . 166 Q12 166 -Q12 667 17 y HOH . 167 Q12 167 -Q12 668 17 y HOH . 168 Q12 168 -Q12 669 17 y HOH . 169 Q12 169 -Q12 670 17 y HOH . 170 Q12 170 -Q12 671 17 y HOH . 171 Q12 171 -Q12 672 17 y HOH . 172 Q12 172 -Q12 673 17 y HOH . 173 Q12 173 -Q12 674 17 y HOH . 174 Q12 174 -Q12 675 17 y HOH . 175 Q12 175 -Q12 676 17 y HOH . 176 Q12 176 -Q12 677 17 y HOH . 177 Q12 177 -Q12 678 17 y HOH . 178 Q12 178 -Q12 679 17 y HOH . 179 Q12 179 -Q12 680 17 y HOH . 180 Q12 180 -Q12 681 17 y HOH . 181 Q12 181 -Q12 682 17 y HOH . 182 Q12 182 -Q12 683 17 y HOH . 183 Q12 183 -Q12 684 17 y HOH . 184 Q12 184 -Q12 685 17 y HOH . 185 Q12 185 -Q12 686 17 y HOH . 186 Q12 186 -Q12 687 17 y HOH . 187 Q12 187 -Q12 688 17 y HOH . 188 Q12 188 -Q12 689 17 y HOH . 189 Q12 189 -Q12 690 17 y HOH . 190 Q12 190 -Q12 691 17 y HOH . 191 Q12 191 -Q12 692 17 y HOH . 192 Q12 192 -Q12 693 17 y HOH . 193 Q12 193 -Q12 694 17 y HOH . 194 Q12 194 -Q12 695 17 y HOH . 195 Q12 195 -Q12 696 17 y HOH . 196 Q12 196 -Q12 697 17 y HOH . 197 Q12 197 -Q12 698 17 y HOH . 198 Q12 198 -Q12 699 17 y HOH . 199 Q12 199 -Q12 700 17 y HOH . 200 Q12 200 -Q12 701 17 y HOH . 201 Q12 201 -Q12 702 17 y HOH . 202 Q12 202 -Q12 703 17 y HOH . 203 Q12 203 -Q12 704 17 y HOH . 204 Q12 204 -Q12 705 17 y HOH . 205 Q12 205 -Q12 706 17 y HOH . 206 Q12 206 -Q12 707 17 y HOH . 207 Q12 207 -Q12 708 17 y HOH . 208 Q12 208 -Q12 709 17 y HOH . 209 Q12 209 -Q12 710 17 y HOH . 210 Q12 210 -Q12 711 17 y HOH . 211 Q12 211 -Q12 712 17 y HOH . 212 Q12 212 -Q12 713 17 y HOH . 213 Q12 213 -Q12 714 17 y HOH . 214 Q12 214 -Q12 715 17 y HOH . 215 Q12 215 -Q12 716 17 y HOH . 216 Q12 216 -Q12 717 17 y HOH . 217 Q12 217 -Q12 718 17 y HOH . 218 Q12 218 -Q12 719 17 y HOH . 219 Q12 219 -Q12 720 17 y HOH . 220 Q12 220 -Q12 721 17 y HOH . 221 Q12 221 -Q12 722 17 y HOH . 222 Q12 222 -Q12 723 17 y HOH . 223 Q12 223 -Q12 724 17 y HOH . 224 Q12 224 -Q12 725 17 y HOH . 225 Q12 225 -Q12 726 17 y HOH . 226 Q12 226 -Q12 727 17 y HOH . 227 Q12 227 -Q12 728 17 y HOH . 228 Q12 228 -Q12 729 17 y HOH . 229 Q12 229 -Q12 730 17 y HOH . 230 Q12 230 -Q12 731 17 y HOH . 231 Q12 231 -Q12 732 17 y HOH . 232 Q12 232 -Q12 733 17 y HOH . 233 Q12 233 -Q12 734 17 y HOH . 234 Q12 234 -Q12 735 17 y HOH . 235 Q12 235 -Q12 736 17 y HOH . 236 Q12 236 -Q12 737 17 y HOH . 237 Q12 237 -Q12 738 17 y HOH . 238 Q12 238 -Q12 739 17 y HOH . 239 Q12 239 -Q12 740 17 y HOH . 240 Q12 240 -Q12 741 17 y HOH . 241 Q12 241 -Q12 742 17 y HOH . 242 Q12 242 -Q12 743 17 y HOH . 243 Q12 243 -Q12 744 17 y HOH . 244 Q12 244 -Q12 745 17 y HOH . 245 Q12 245 -Q12 746 17 y HOH . 246 Q12 246 -Q12 747 17 y HOH . 247 Q12 247 -Q12 748 17 y HOH . 248 Q12 248 -Q12 749 17 y HOH . 249 Q12 249 -Q12 750 17 y HOH . 250 Q12 250 -Q12 751 17 y HOH . 251 Q12 251 -Q12 752 17 y HOH . 252 Q12 252 -Q12 753 17 y HOH . 253 Q12 253 -Q12 754 17 y HOH . 254 Q12 254 -Q12 755 17 y HOH . 255 Q12 255 -Q12 756 17 y HOH . 256 Q12 256 -Q12 757 17 y HOH . 257 Q12 257 -Q12 758 17 y HOH . 258 Q12 258 -Q12 759 17 y HOH . 259 Q12 259 -Q12 760 17 y HOH . 260 Q12 260 -Q12 761 17 y HOH . 261 Q12 261 -Q12 762 17 y HOH . 262 Q12 262 -Q12 763 17 y HOH . 263 Q12 263 -Q12 764 17 y HOH . 264 Q12 264 -Q12 765 17 y HOH . 265 Q12 265 -Q12 766 17 y HOH . 266 Q12 266 -Q12 767 17 y HOH . 267 Q12 267 -Q12 768 17 y HOH . 268 Q12 268 -Q12 769 17 y HOH . 269 Q12 269 -Q12 770 17 y HOH . 270 Q12 270 -Q12 771 17 y HOH . 271 Q12 271 -Q12 772 17 y HOH . 272 Q12 272 -Q12 773 17 y HOH . 273 Q12 273 -Q12 774 17 y HOH . 274 Q12 274 -Q12 775 17 y HOH . 275 Q12 275 -Q12 776 17 y HOH . 276 Q12 276 -Q12 777 17 y HOH . 277 Q12 277 -Q12 778 17 y HOH . 278 Q12 278 -Q12 779 17 y HOH . 279 Q12 279 -Q12 780 17 y HOH . 280 Q12 280 -Q12 781 17 y HOH . 281 Q12 281 -Q12 782 17 y HOH . 282 Q12 282 -Q12 783 17 y HOH . 283 Q12 283 -Q12 784 17 y HOH . 284 Q12 284 -Q12 785 17 y HOH . 285 Q12 285 -Q12 786 17 y HOH . 286 Q12 286 -Q12 787 17 y HOH . 287 Q12 287 -Q12 788 17 y HOH . 288 Q12 288 -Q12 789 17 y HOH . 289 Q12 289 -Q12 790 17 y HOH . 290 Q12 290 -Q12 791 17 y HOH . 291 Q12 291 -Q12 792 17 y HOH . 292 Q12 292 -Q12 793 17 y HOH . 293 Q12 293 -Q12 794 17 y HOH . 294 Q12 294 -Q12 795 17 y HOH . 295 Q12 295 -Q12 796 17 y HOH . 296 Q12 296 -Q12 797 17 y HOH . 297 Q12 297 -Q12 798 17 y HOH . 298 Q12 298 -Q12 799 17 y HOH . 299 Q12 299 -Q12 800 17 y HOH . 300 Q12 300 -Q12 801 17 y HOH . 301 Q12 301 -Q12 802 17 y HOH . 302 Q12 302 -Q12 803 17 y HOH . 303 Q12 303 -Q12 804 17 y HOH . 304 Q12 304 -Q12 805 17 y HOH . 305 Q12 305 -Q12 806 17 y HOH . 306 Q12 306 -Q12 807 17 y HOH . 307 Q12 307 -Q12 808 17 y HOH . 308 Q12 308 -Q12 809 17 y HOH . 309 Q12 309 -Q12 810 17 y HOH . 310 Q12 310 -Q12 811 17 y HOH . 311 Q12 311 -Q12 812 17 y HOH . 312 Q12 312 -Q12 813 17 y HOH . 313 Q12 313 -Q12 814 17 y HOH . 314 Q12 314 -Q12 815 17 y HOH . 315 Q12 315 -Q12 816 17 y HOH . 316 Q12 316 -Q12 817 17 y HOH . 317 Q12 317 -Q12 818 17 y HOH . 318 Q12 318 -Q12 819 17 y HOH . 319 Q12 319 -Q12 820 17 y HOH . 320 Q12 320 -Q12 821 17 y HOH . 321 Q12 321 -Q12 822 17 y HOH . 322 Q12 322 -Q12 823 17 y HOH . 323 Q12 323 -Q12 824 17 y HOH . 324 Q12 324 -Q12 825 17 y HOH . 325 Q12 325 -Q12 826 17 y HOH . 326 Q12 326 -Q12 827 17 y HOH . 327 Q12 327 -Q12 828 17 y HOH . 328 Q12 328 -Q12 829 17 y HOH . 329 Q12 329 -Q12 830 17 y HOH . 330 Q12 330 -Q12 831 17 y HOH . 331 Q12 331 -Q12 832 17 y HOH . 332 Q12 332 -Q12 833 17 y HOH . 333 Q12 333 -Q12 834 17 y HOH . 334 Q12 334 -Q12 835 17 y HOH . 335 Q12 335 -Q12 836 17 y HOH . 336 Q12 336 -Q12 837 17 y HOH . 337 Q12 337 -Q12 838 17 y HOH . 338 Q12 338 -Q12 839 17 y HOH . 339 Q12 339 -Q12 840 17 y HOH . 340 Q12 340 -Q12 841 17 y HOH . 341 Q12 341 -Q12 842 17 y HOH . 342 Q12 342 -Q12 843 17 y HOH . 343 Q12 343 -Q12 844 17 y HOH . 344 Q12 344 -Q12 845 17 y HOH . 345 Q12 345 -Q12 846 17 y HOH . 346 Q12 346 -Q12 847 17 y HOH . 347 Q12 347 -Q12 848 17 y HOH . 348 Q12 348 -Q12 849 17 y HOH . 349 Q12 349 -Q12 850 17 y HOH . 350 Q12 350 -Q12 851 17 y HOH . 351 Q12 351 -Q12 852 17 y HOH . 352 Q12 352 -Q12 853 17 y HOH . 353 Q12 353 -Q12 854 17 y HOH . 354 Q12 354 -Q12 855 17 y HOH . 355 Q12 355 -Q12 856 17 y HOH . 356 Q12 356 -Q12 857 17 y HOH . 357 Q12 357 -Q12 858 17 y HOH . 358 Q12 358 -Q12 859 17 y HOH . 359 Q12 359 -Q12 860 17 y HOH . 360 Q12 360 -Q12 861 17 y HOH . 361 Q12 361 -Q12 862 17 y HOH . 362 Q12 362 -Q12 863 17 y HOH . 363 Q12 363 -Q12 864 17 y HOH . 364 Q12 364 -Q12 865 17 y HOH . 365 Q12 365 -Q12 866 17 y HOH . 366 Q12 366 -Q12 867 17 y HOH . 367 Q12 367 -Q12 868 17 y HOH . 368 Q12 368 -Q12 869 17 y HOH . 369 Q12 369 -Q12 870 17 y HOH . 370 Q12 370 -Q12 871 17 y HOH . 371 Q12 371 -Q12 872 17 y HOH . 372 Q12 372 -Q12 873 17 y HOH . 373 Q12 373 -Q12 874 17 y HOH . 374 Q12 374 -Q12 875 17 y HOH . 375 Q12 375 -Q12 876 17 y HOH . 376 Q12 376 -Q12 877 17 y HOH . 377 Q12 377 -Q12 878 17 y HOH . 378 Q12 378 -Q12 879 17 y HOH . 379 Q12 379 -Q12 880 17 y HOH . 380 Q12 380 -Q12 881 17 y HOH . 381 Q12 381 -Q12 882 17 y HOH . 382 Q12 382 -Q12 883 17 y HOH . 383 Q12 383 -Q12 884 17 y HOH . 384 Q12 384 -Q12 885 17 y HOH . 385 Q12 385 -Q12 886 17 y HOH . 386 Q12 386 -Q12 887 17 y HOH . 387 Q12 387 -Q12 888 17 y HOH . 388 Q12 388 -Q12 889 17 y HOH . 389 Q12 389 -Q12 890 17 y HOH . 390 Q12 390 -Q12 891 17 y HOH . 391 Q12 391 -Q12 892 17 y HOH . 392 Q12 392 -Q12 893 17 y HOH . 393 Q12 393 -Q12 894 17 y HOH . 394 Q12 394 -Q12 895 17 y HOH . 395 Q12 395 -Q12 896 17 y HOH . 396 Q12 396 -Q12 897 17 y HOH . 397 Q12 397 -Q12 898 17 y HOH . 398 Q12 398 -Q12 899 17 y HOH . 399 Q12 399 -Q12 900 17 y HOH . 400 Q12 400 -Q12 901 17 y HOH . 401 Q12 401 -Q12 902 17 y HOH . 402 Q12 402 -Q12 903 17 y HOH . 403 Q12 403 -Q12 904 17 y HOH . 404 Q12 404 -Q12 905 17 y HOH . 405 Q12 405 -Q12 906 17 y HOH . 406 Q12 406 -Q12 907 17 y HOH . 407 Q12 407 -Q12 908 17 y HOH . 408 Q12 408 -Q12 909 17 y HOH . 409 Q12 409 -Q12 910 17 y HOH . 410 Q12 410 -Q12 911 17 y HOH . 411 Q12 411 -Q12 912 17 y HOH . 412 Q12 412 -Q12 913 17 y HOH . 413 Q12 413 -Q12 914 17 y HOH . 414 Q12 414 -Q12 915 17 y HOH . 415 Q12 415 -Q12 916 17 y HOH . 416 Q12 416 -Q12 917 17 y HOH . 417 Q12 417 -Q12 918 17 y HOH . 418 Q12 418 -Q12 919 17 y HOH . 419 Q12 419 -Q12 920 17 y HOH . 420 Q12 420 -Q12 921 17 y HOH . 421 Q12 421 -Q12 922 17 y HOH . 422 Q12 422 -Q12 923 17 y HOH . 423 Q12 423 -Q12 924 17 y HOH . 424 Q12 424 -Q12 925 17 y HOH . 425 Q12 425 -Q12 926 17 y HOH . 426 Q12 426 -Q12 927 17 y HOH . 427 Q12 427 -Q12 928 17 y HOH . 428 Q12 428 -Q12 929 17 y HOH . 429 Q12 429 -Q12 930 17 y HOH . 430 Q12 430 -Q12 931 17 y HOH . 431 Q12 431 -Q12 932 17 y HOH . 432 Q12 432 -Q12 933 17 y HOH . 433 Q12 433 +A -9 1 n MET . 1 A 1 +A -8 1 n TRP . 2 A 2 +A -7 1 n SER . 3 A 3 +A -6 1 n HIS . 4 A 4 +A -5 1 n PRO . 5 A 5 +A -4 1 n GLN . 6 A 6 +A -3 1 n PHE . 7 A 7 +A -2 1 n GLU . 8 A 8 +A -1 1 n LYS . 9 A 9 +A 0 1 n ALA . 10 A 10 +A 1 1 n SER . 11 A 11 +A 2 1 n THR . 12 A 12 +A 3 1 n GLY . 13 A 13 +A 4 1 n ARG . 14 A 14 +A 5 1 n GLU . 15 A 15 +A 6 1 n ILE . 16 A 16 +A 7 1 n LEU . 17 A 17 +A 8 1 n GLU . 18 A 18 +A 9 1 n LYS . 19 A 19 +A 10 1 n LEU . 20 A 20 +A 11 1 n GLU . 21 A 21 +A 12 1 n ARG . 22 A 22 +A 13 1 n ARG . 23 A 23 +A 14 1 n GLU . 24 A 24 +A 15 1 n PHE . 25 A 25 +A 16 1 n THR . 26 A 26 +A 17 1 n ARG . 27 A 27 +A 18 1 n GLU . 28 A 28 +A 19 1 n VAL . 29 A 29 +A 20 1 n LEU . 30 A 30 +A 21 1 n LYS . 31 A 31 +A 22 1 n GLU . 32 A 32 +A 23 1 n ALA . 33 A 33 +A 24 1 n LEU . 34 A 34 +A 25 1 n SER . 35 A 35 +A 26 1 n ILE . 36 A 36 +A 27 1 n ASN . 37 A 37 +A 28 1 n ASP . 38 A 38 +A 29 1 n ARG . 39 A 39 +A 30 1 n GLY . 40 A 40 +A 31 1 n PHE . 41 A 41 +A 32 1 n ASN . 42 A 42 +A 33 1 n GLU . 43 A 43 +A 34 1 n ALA . 44 A 44 +A 35 1 n LEU . 45 A 45 +A 36 1 n PHE . 46 A 46 +A 37 1 n LYS . 47 A 47 +A 38 1 n LEU . 48 A 48 +A 39 1 n ALA . 49 A 49 +A 40 1 n ASP . 50 A 50 +A 41 1 n GLU . 51 A 51 +A 42 1 n ILE . 52 A 52 +A 43 1 n ARG . 53 A 53 +A 44 1 n ARG . 54 A 54 +A 45 1 n LYS . 55 A 55 +A 46 1 n TYR . 56 A 56 +A 47 1 n VAL . 57 A 57 +A 48 1 n GLY . 58 A 58 +A 49 1 n ASP . 59 A 59 +A 50 1 n GLU . 60 A 60 +A 51 1 n VAL . 61 A 61 +A 52 1 n HIS . 62 A 62 +A 53 1 n ILE . 63 A 63 +A 54 1 n ARG . 64 A 64 +A 55 1 n ALA . 65 A 65 +A 56 1 n ILE . 66 A 66 +A 57 1 n ILE . 67 A 67 +A 58 1 n GLU . 68 A 68 +A 59 1 n PHE . 69 A 69 +A 60 1 n SER . 70 A 70 +A 61 1 n ASN . 71 A 71 +A 62 1 n VAL . 72 A 72 +A 63 1 n CYS . 73 A 73 +A 64 1 n ARG . 74 A 74 +A 65 1 n LYS . 75 A 75 +A 66 1 n ASN . 76 A 76 +A 67 1 n CYS . 77 A 77 +A 68 1 n LEU . 78 A 78 +A 69 1 n TYR . 79 A 79 +A 70 1 n CYS . 80 A 80 +A 71 1 n GLY . 81 A 81 +A 72 1 n LEU . 82 A 82 +A 73 1 n ARG . 83 A 83 +A 74 1 n ARG . 84 A 84 +A 75 1 n ASP . 85 A 85 +A 76 1 n ASN . 86 A 86 +A 77 1 n LYS . 87 A 87 +A 78 1 n ASN . 88 A 88 +A 79 1 n LEU . 89 A 89 +A 80 1 n LYS . 90 A 90 +A 81 1 n ARG . 91 A 91 +A 82 1 n TYR . 92 A 92 +A 83 1 n ARG . 93 A 93 +A 84 1 n MET . 94 A 94 +A 85 1 n THR . 95 A 95 +A 86 1 n PRO . 96 A 96 +A 87 1 n GLU . 97 A 97 +A 88 1 n GLU . 98 A 98 +A 89 1 n ILE . 99 A 99 +A 90 1 n VAL . 100 A 100 +A 91 1 n GLU . 101 A 101 +A 92 1 n ARG . 102 A 102 +A 93 1 n ALA . 103 A 103 +A 94 1 n ARG . 104 A 104 +A 95 1 n LEU . 105 A 105 +A 96 1 n ALA . 106 A 106 +A 97 1 n VAL . 107 A 107 +A 98 1 n GLN . 108 A 108 +A 99 1 n PHE . 109 A 109 +A 100 1 n GLY . 110 A 110 +A 101 1 n ALA . 111 A 111 +A 102 1 n LYS . 112 A 112 +A 103 1 n THR . 113 A 113 +A 104 1 n ILE . 114 A 114 +A 105 1 n VAL . 115 A 115 +A 106 1 n LEU . 116 A 116 +A 107 1 n GLN . 117 A 117 +A 108 1 n SER . 118 A 118 +A 109 1 n GLY . 119 A 119 +A 110 1 n GLU . 120 A 120 +A 111 1 n ASP . 121 A 121 +A 112 1 n PRO . 122 A 122 +A 113 1 n TYR . 123 A 123 +A 114 1 n TYR . 124 A 124 +A 115 1 n MET . 125 A 125 +A 116 1 n PRO . 126 A 126 +A 117 1 n ASP . 127 A 127 +A 118 1 n VAL . 128 A 128 +A 119 1 n ILE . 129 A 129 +A 120 1 n SER . 130 A 130 +A 121 1 n ASP . 131 A 131 +A 122 1 n ILE . 132 A 132 +A 123 1 n VAL . 133 A 133 +A 124 1 n LYS . 134 A 134 +A 125 1 n GLU . 135 A 135 +A 126 1 n ILE . 136 A 136 +A 127 1 n LYS . 137 A 137 +A 128 1 n LYS . 138 A 138 +A 129 1 n MET . 139 A 139 +A 130 1 n GLY . 140 A 140 +A 131 1 n VAL . 141 A 141 +A 132 1 n ALA . 142 A 142 +A 133 1 n VAL . 143 A 143 +A 134 1 n THR . 144 A 144 +A 135 1 n LEU . 145 A 145 +A 136 1 n SER . 146 A 146 +A 137 1 n LEU . 147 A 147 +A 138 1 n GLY . 148 A 148 +A 139 1 n GLU . 149 A 149 +A 140 1 n TRP . 150 A 150 +A 141 1 n PRO . 151 A 151 +A 142 1 n ARG . 152 A 152 +A 143 1 n GLU . 153 A 153 +A 144 1 n TYR . 154 A 154 +A 145 1 n TYR . 155 A 155 +A 146 1 n GLU . 156 A 156 +A 147 1 n LYS . 157 A 157 +A 148 1 n TRP . 158 A 158 +A 149 1 n LYS . 159 A 159 +A 150 1 n GLU . 160 A 160 +A 151 1 n ALA . 161 A 161 +A 152 1 n GLY . 162 A 162 +A 153 1 n ALA . 163 A 163 +A 154 1 n ASP . 164 A 164 +A 155 1 n ARG . 165 A 165 +A 156 1 n TYR . 166 A 166 +A 157 1 n LEU . 167 A 167 +A 158 1 n LEU . 168 A 168 +A 159 1 n ARG . 169 A 169 +A 160 1 n HIS . 170 A 170 +A 161 1 n GLU . 171 A 171 +A 162 1 n THR . 172 A 172 +A 163 1 n ALA . 173 A 173 +A 164 1 n ASN . 174 A 174 +A 165 1 n PRO . 175 A 175 +A 166 1 n VAL . 176 A 176 +A 167 1 n LEU . 177 A 177 +A 168 1 n HIS . 178 A 178 +A 169 1 n ARG . 179 A 179 +A 170 1 n LYS . 180 A 180 +A 171 1 n LEU . 181 A 181 +A 172 1 n ARG . 182 A 182 +A 173 1 n PRO . 183 A 183 +A 174 1 n ASP . 184 A 184 +A 175 1 n THR . 185 A 185 +A 176 1 n SER . 186 A 186 +A 177 1 n PHE . 187 A 187 +A 178 1 n GLU . 188 A 188 +A 179 1 n ASN . 189 A 189 +A 180 1 n ARG . 190 A 190 +A 181 1 n LEU . 191 A 191 +A 182 1 n ASN . 192 A 192 +A 183 1 n CYS . 193 A 193 +A 184 1 n LEU . 194 A 194 +A 185 1 n LEU . 195 A 195 +A 186 1 n THR . 196 A 196 +A 187 1 n LEU . 197 A 197 +A 188 1 n LYS . 198 A 198 +A 189 1 n GLU . 199 A 199 +A 190 1 n LEU . 200 A 200 +A 191 1 n GLY . 201 A 201 +A 192 1 n TYR . 202 A 202 +A 193 1 n GLU . 203 A 203 +A 194 1 n THR . 204 A 204 +A 195 1 n GLY . 205 A 205 +A 196 1 n ALA . 206 A 206 +A 197 1 n GLY . 207 A 207 +A 198 1 n SER . 208 A 208 +A 199 1 n MET . 209 A 209 +A 200 1 n VAL . 210 A 210 +A 201 1 n GLY . 211 A 211 +A 202 1 n LEU . 212 A 212 +A 203 1 n PRO . 213 A 213 +A 204 1 n GLY . 214 A 214 +A 205 1 n GLN . 215 A 215 +A 206 1 n THR . 216 A 216 +A 207 1 n ILE . 217 A 217 +A 208 1 n ASP . 218 A 218 +A 209 1 n ASP . 219 A 219 +A 210 1 n LEU . 220 A 220 +A 211 1 n VAL . 221 A 221 +A 212 1 n ASP . 222 A 222 +A 213 1 n ASP . 223 A 223 +A 214 1 n LEU . 224 A 224 +A 215 1 n LEU . 225 A 225 +A 216 1 n PHE . 226 A 226 +A 217 1 n LEU . 227 A 227 +A 218 1 n LYS . 228 A 228 +A 219 1 n GLU . 229 A 229 +A 220 1 n HIS . 230 A 230 +A 221 1 n ASP . 231 A 231 +A 222 1 n PHE . 232 A 232 +A 223 1 n ASP . 233 A 233 +A 224 1 n MET . 234 A 234 +A 225 1 n VAL . 235 A 235 +A 226 1 n GLY . 236 A 236 +A 227 1 n ILE . 237 A 237 +A 228 1 n GLY . 238 A 238 +A 229 1 n PRO . 239 A 239 +A 230 1 n PHE . 240 A 240 +A 231 1 n ILE . 241 A 241 +A 232 1 n PRO . 242 A 242 +A 233 1 n HIS . 243 A 243 +A 234 1 n PRO . 244 A 244 +A 235 1 n ASP . 245 A 245 +A 236 1 n THR . 246 A 246 +A 237 1 n PRO . 247 A 247 +A 238 1 n LEU . 248 A 248 +A 239 1 n ALA . 249 A 249 +A 240 1 n ASN . 250 A 250 +A 241 1 n GLU . 251 A 251 +A 242 1 n LYS . 252 A 252 +A 243 1 n LYS . 253 A 253 +A 244 1 n GLY . 254 A 254 +A 245 1 n ASP . 255 A 255 +A 246 1 n PHE . 256 A 256 +A 247 1 n THR . 257 A 257 +A 248 1 n LEU . 258 A 258 +A 249 1 n THR . 259 A 259 +A 250 1 n LEU . 260 A 260 +A 251 1 n LYS . 261 A 261 +A 252 1 n MET . 262 A 262 +A 253 1 n VAL . 263 A 263 +A 254 1 n ALA . 264 A 264 +A 255 1 n LEU . 265 A 265 +A 256 1 n THR . 266 A 266 +A 257 1 n ARG . 267 A 267 +A 258 1 n ILE . 268 A 268 +A 259 1 n LEU . 269 A 269 +A 260 1 n LEU . 270 A 270 +A 261 1 n PRO . 271 A 271 +A 262 1 n ASP . 272 A 272 +A 263 1 n SER . 273 A 273 +A 264 1 n ASN . 274 A 274 +A 265 1 n ILE . 275 A 275 +A 266 1 n PRO . 276 A 276 +A 267 1 n ALA . 277 A 277 +A 268 1 n THR . 278 A 278 +A 269 1 n THR . 279 A 279 +A 270 1 n ALA . 280 A 280 +A 271 1 n MET . 281 A 281 +A 272 1 n GLY . 282 A 282 +A 273 1 n THR . 283 A 283 +A 274 1 n ILE . 284 A 284 +A 275 1 n VAL . 285 A 285 +A 276 1 n PRO . 286 A 286 +A 277 1 n GLY . 287 A 287 +A 278 1 n GLY . 288 A 288 +A 279 1 n ARG . 289 A 289 +A 280 1 n GLU . 290 A 290 +A 281 1 n ILE . 291 A 291 +A 282 1 n THR . 292 A 292 +A 283 1 n LEU . 293 A 293 +A 284 1 n ARG . 294 A 294 +A 285 1 n CYS . 295 A 295 +A 286 1 n GLY . 296 A 296 +A 287 1 n ALA . 297 A 297 +A 288 1 n ASN . 298 A 298 +A 289 1 n VAL . 299 A 299 +A 290 1 n ILE . 300 A 300 +A 291 1 n MET . 301 A 301 +A 292 1 n PRO . 302 A 302 +A 293 1 n ASN . 303 A 303 +A 294 1 n TRP . 304 A 304 +A 295 1 n THR . 305 A 305 +A 296 1 n PRO . 306 A 306 +A 297 1 n SER . 307 A 307 +A 298 1 n PRO . 308 A 308 +A 299 1 n TYR . 309 A 309 +A 300 1 n ARG . 310 A 310 +A 301 1 n GLN . 311 A 311 +A 302 1 n LEU . 312 A 312 +A 303 1 n TYR . 313 A 313 +A 304 1 n GLN . 314 A 314 +A 305 1 n LEU . 315 A 315 +A 306 1 n TYR . 316 A 316 +A 307 1 n PRO . 317 A 317 +A 308 1 n GLY . 318 A 318 +A 309 1 n LYS . 319 A 319 +A 310 1 n ILE . 320 A 320 +A 311 1 n SER . 321 A 321 +A 312 1 n VAL . 322 A 322 +A 313 1 n PHE . 323 A 323 +A 314 1 n GLU . 324 A 324 +A 315 1 n LYS . 325 A 325 +A 316 1 n ASP . 326 A 326 +A 317 1 n THR . 327 A 327 +A 318 1 n ALA . 328 A 328 +A 319 1 n SER . 329 A 329 +A 320 1 n ILE . 330 A 330 +A 321 1 n PRO . 331 A 331 +A 322 1 n SER . 332 A 332 +A 323 1 n VAL . 333 A 333 +A 324 1 n MET . 334 A 334 +A 325 1 n LYS . 335 A 335 +A 326 1 n MET . 336 A 336 +A 327 1 n ILE . 337 A 337 +A 328 1 n GLU . 338 A 338 +A 329 1 n LEU . 339 A 339 +A 330 1 n LEU . 340 A 340 +A 331 1 n GLY . 341 A 341 +A 332 1 n ARG . 342 A 342 +A 333 1 n LYS . 343 A 343 +A 334 1 n PRO . 344 A 344 +A 335 1 n GLY . 345 A 345 +A 336 1 n ARG . 346 A 346 +A 337 1 n ASP . 347 A 347 +A 338 1 n TRP . 348 A 348 +A 339 1 n GLY . 349 A 349 +A 340 1 n GLY . 350 A 350 +A 341 1 n ARG . 351 A 351 +A 342 1 n LYS . 352 A 352 +A 343 1 n ARG . 353 A 353 +A 344 1 n VAL . 354 A 354 +A 345 1 n PHE . 355 A 355 +A 346 1 n THR . 356 A 356 # _software.classification 'model building' _software.date 2023-03-31 @@ -1697,13 +1263,12 @@ _software.description 'Protein modeling' _software.name chiLife _software.pdbx_ordinal 1 _software.type 'python package' -_software.version 1.2.2 +_software.version 1.2.3 # loop_ _struct_asym.entity_id _struct_asym.id -1 A1 -17 Q12 +1 A # loop_ _atom_site.group_PDB @@ -1725,6543 +1290,6543 @@ _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . MET A1 1 1 ? 38.148 15.945 -39.073 0.79 41.59 ? -9 A 1 -ATOM 2 C CA . MET A1 1 1 ? 36.885 15.61 -38.335 0.79 76.65 ? -9 A 1 -ATOM 3 C C . MET A1 1 1 ? 37.158 14.603 -37.223 0.79 73.14 ? -9 A 1 -ATOM 4 O O . MET A1 1 1 ? 37.995 13.711 -37.337 0.79 78.18 ? -9 A 1 -ATOM 5 C CB . MET A1 1 1 ? 35.785 15.067 -39.263 0.79 41.4 ? -9 A 1 -ATOM 6 C CG . MET A1 1 1 ? 34.44 14.758 -38.636 0.79 36.33 ? -9 A 1 -ATOM 7 S SD . MET A1 1 1 ? 33.713 16.096 -37.624 0.79 36.0 ? -9 A 1 -ATOM 8 C CE . MET A1 1 1 ? 33.668 17.43 -38.787 0.79 35.87 ? -9 A 1 -ATOM 9 H H1 . MET A1 1 1 ? 37.959 16.487 -39.754 0.79 49.91 ? -9 A 1 -ATOM 10 H H2 . MET A1 1 1 ? 38.716 16.35 -38.521 0.79 49.91 ? -9 A 1 -ATOM 11 H H3 . MET A1 1 1 ? 38.517 15.197 -39.383 0.79 49.91 ? -9 A 1 -ATOM 12 H HA . MET A1 1 1 ? 36.546 16.437 -37.957 0.79 91.98 ? -9 A 1 -ATOM 13 H HB2 . MET A1 1 1 ? 35.628 15.726 -39.957 0.79 49.68 ? -9 A 1 -ATOM 14 H HB3 . MET A1 1 1 ? 36.108 14.241 -39.657 0.79 49.68 ? -9 A 1 -ATOM 15 H HG2 . MET A1 1 1 ? 33.81 14.562 -39.348 0.79 43.6 ? -9 A 1 -ATOM 16 H HG3 . MET A1 1 1 ? 34.542 13.985 -38.061 0.79 43.6 ? -9 A 1 -ATOM 17 H HE1 . MET A1 1 1 ? 33.292 18.213 -38.354 0.79 43.05 ? -9 A 1 -ATOM 18 H HE2 . MET A1 1 1 ? 34.571 17.619 -39.086 0.79 43.05 ? -9 A 1 -ATOM 19 H HE3 . MET A1 1 1 ? 33.116 17.172 -39.542 0.79 43.05 ? -9 A 1 -ATOM 20 N N . TRP A1 1 2 ? 36.397 14.756 -36.154 1.0 51.72 ? -8 A 1 -ATOM 21 C CA . TRP A1 1 2 ? 36.576 14.031 -34.911 1.0 37.95 ? -8 A 1 -ATOM 22 C C . TRP A1 1 2 ? 35.234 13.355 -34.569 1.0 60.47 ? -8 A 1 -ATOM 23 O O . TRP A1 1 2 ? 34.2 13.59 -35.212 1.0 39.4 ? -8 A 1 -ATOM 24 C CB . TRP A1 1 2 ? 36.969 15.024 -33.802 1.0 41.92 ? -8 A 1 -ATOM 25 C CG . TRP A1 1 2 ? 35.911 16.127 -33.579 1.0 49.1 ? -8 A 1 -ATOM 26 C CD1 . TRP A1 1 2 ? 34.842 16.078 -32.737 1.0 41.65 ? -8 A 1 -ATOM 27 C CD2 . TRP A1 1 2 ? 35.847 17.403 -34.224 1.0 37.75 ? -8 A 1 -ATOM 28 N NE1 . TRP A1 1 2 ? 34.11 17.246 -32.808 1.0 42.91 ? -8 A 1 -ATOM 29 C CE2 . TRP A1 1 2 ? 34.703 18.069 -33.725 1.0 45.83 ? -8 A 1 -ATOM 30 C CE3 . TRP A1 1 2 ? 36.639 18.044 -35.193 1.0 41.88 ? -8 A 1 -ATOM 31 C CZ2 . TRP A1 1 2 ? 34.342 19.349 -34.141 1.0 44.65 ? -8 A 1 -ATOM 32 C CZ3 . TRP A1 1 2 ? 36.273 19.312 -35.607 1.0 82.58 ? -8 A 1 -ATOM 33 C CH2 . TRP A1 1 2 ? 35.132 19.948 -35.084 1.0 66.0 ? -8 A 1 -ATOM 34 H H . TRP A1 1 2 ? 35.735 15.304 -36.123 1.0 62.07 ? -8 A 1 -ATOM 35 H HA . TRP A1 1 2 ? 37.261 13.348 -34.986 1.0 45.54 ? -8 A 1 -ATOM 36 H HB2 . TRP A1 1 2 ? 37.077 14.539 -32.969 1.0 50.3 ? -8 A 1 -ATOM 37 H HB3 . TRP A1 1 2 ? 37.804 15.454 -34.046 1.0 50.3 ? -8 A 1 -ATOM 38 H HD1 . TRP A1 1 2 ? 34.633 15.356 -32.19 1.0 49.98 ? -8 A 1 -ATOM 39 H HE1 . TRP A1 1 2 ? 33.403 17.426 -32.353 1.0 51.5 ? -8 A 1 -ATOM 40 H HE3 . TRP A1 1 2 ? 37.391 17.625 -35.547 1.0 50.25 ? -8 A 1 -ATOM 41 H HZ2 . TRP A1 1 2 ? 33.594 19.778 -33.792 1.0 53.58 ? -8 A 1 -ATOM 42 H HZ3 . TRP A1 1 2 ? 36.789 19.751 -36.244 1.0 99.1 ? -8 A 1 -ATOM 43 H HH2 . TRP A1 1 2 ? 34.909 20.799 -35.386 1.0 79.2 ? -8 A 1 -ATOM 44 N N . SER A1 1 3 ? 35.238 12.526 -33.522 1.0 29.85 ? -7 A 1 -ATOM 45 C CA A SER A1 1 3 ? 34.091 11.739 -33.112 0.63 28.25 ? -7 A 1 -ATOM 46 C CA B SER A1 1 3 ? 34.095 11.738 -33.109 0.37 28.25 ? -7 A 1 -ATOM 47 C C . SER A1 1 3 ? 33.087 12.601 -32.344 1.0 27.43 ? -7 A 1 -ATOM 48 O O . SER A1 1 3 ? 33.363 13.725 -31.927 1.0 36.37 ? -7 A 1 -ATOM 49 C CB A SER A1 1 3 ? 34.537 10.559 -32.252 0.63 38.49 ? -7 A 1 -ATOM 50 C CB B SER A1 1 3 ? 34.57 10.572 -32.243 0.37 36.36 ? -7 A 1 -ATOM 51 O OG A SER A1 1 3 ? 33.445 9.699 -31.985 0.63 63.39 ? -7 A 1 -ATOM 52 O OG B SER A1 1 3 ? 35.205 11.043 -31.066 0.37 62.85 ? -7 A 1 -ATOM 53 H H . SER A1 1 3 ? 35.923 12.401 -33.017 1.0 35.82 ? -7 A 1 -ATOM 54 H HA . SER A1 1 3 ? 33.648 11.394 -33.902 1.0 33.9 ? -7 A 1 -ATOM 55 H HB2 A SER A1 1 3 ? 35.223 10.064 -32.725 0.63 46.19 ? -7 A 1 -ATOM 56 H HB2 B SER A1 1 3 ? 33.804 10.031 -31.994 0.37 43.64 ? -7 A 1 -ATOM 57 H HB3 A SER A1 1 3 ? 34.889 10.894 -31.412 0.63 46.19 ? -7 A 1 -ATOM 58 H HB3 B SER A1 1 3 ? 35.202 10.039 -32.751 0.37 43.64 ? -7 A 1 -ATOM 59 H HG A SER A1 1 3 ? 33.692 9.068 -31.488 0.63 76.07 ? -7 A 1 -ATOM 60 H HG B SER A1 1 3 ? 34.661 11.488 -30.605 0.37 75.43 ? -7 A 1 -ATOM 61 N N . HIS A1 1 4 ? 31.903 12.063 -32.172 1.0 26.34 ? -6 A 1 -ATOM 62 C CA . HIS A1 1 4 ? 30.834 12.761 -31.484 1.0 25.69 ? -6 A 1 -ATOM 63 C C . HIS A1 1 4 ? 30.056 11.791 -30.615 1.0 24.36 ? -6 A 1 -ATOM 64 O O . HIS A1 1 4 ? 28.874 11.508 -30.852 1.0 27.57 ? -6 A 1 -ATOM 65 C CB . HIS A1 1 4 ? 29.885 13.431 -32.497 1.0 31.17 ? -6 A 1 -ATOM 66 C CG . HIS A1 1 4 ? 28.911 14.393 -31.898 1.0 33.72 ? -6 A 1 -ATOM 67 N ND1 . HIS A1 1 4 ? 29.313 15.567 -31.292 1.0 32.82 ? -6 A 1 -ATOM 68 C CD2 . HIS A1 1 4 ? 27.558 14.413 -31.907 1.0 40.6 ? -6 A 1 -ATOM 69 C CE1 . HIS A1 1 4 ? 28.243 16.251 -30.931 1.0 30.94 ? -6 A 1 -ATOM 70 N NE2 . HIS A1 1 4 ? 27.162 15.556 -31.248 1.0 30.54 ? -6 A 1 -ATOM 71 H H . HIS A1 1 4 ? 31.685 11.278 -32.45 1.0 31.61 ? -6 A 1 -ATOM 72 H HA . HIS A1 1 4 ? 31.233 13.434 -30.91 1.0 30.83 ? -6 A 1 -ATOM 73 H HB2 . HIS A1 1 4 ? 30.418 13.919 -33.143 1.0 37.4 ? -6 A 1 -ATOM 74 H HB3 . HIS A1 1 4 ? 29.374 12.738 -32.945 1.0 37.4 ? -6 A 1 -ATOM 75 H HD1 . HIS A1 1 4 ? 30.128 15.812 -31.169 1.0 39.38 ? -6 A 1 -ATOM 76 H HD2 . HIS A1 1 4 ? 27.0 13.774 -32.287 1.0 48.72 ? -6 A 1 -ATOM 77 H HE1 . HIS A1 1 4 ? 28.248 17.085 -30.521 1.0 37.12 ? -6 A 1 -ATOM 78 N N . PRO A1 1 5 ? 30.646 11.321 -29.516 1.0 25.28 ? -5 A 1 -ATOM 79 C CA . PRO A1 1 5 ? 29.93 10.356 -28.687 1.0 24.96 ? -5 A 1 -ATOM 80 C C . PRO A1 1 5 ? 28.873 10.989 -27.816 1.0 24.39 ? -5 A 1 -ATOM 81 O O . PRO A1 1 5 ? 28.908 12.182 -27.52 1.0 30.77 ? -5 A 1 -ATOM 82 C CB . PRO A1 1 5 ? 31.044 9.786 -27.805 1.0 26.01 ? -5 A 1 -ATOM 83 C CG . PRO A1 1 5 ? 32.069 10.791 -27.814 1.0 27.78 ? -5 A 1 -ATOM 84 C CD . PRO A1 1 5 ? 31.989 11.621 -29.065 1.0 27.01 ? -5 A 1 -ATOM 85 H HA . PRO A1 1 5 ? 29.526 9.673 -29.245 1.0 29.95 ? -5 A 1 -ATOM 86 H HB2 . PRO A1 1 5 ? 30.711 9.636 -26.907 1.0 31.22 ? -5 A 1 -ATOM 87 H HB3 . PRO A1 1 5 ? 31.37 8.953 -28.181 1.0 31.22 ? -5 A 1 -ATOM 88 H HG2 . PRO A1 1 5 ? 31.947 11.36 -27.038 1.0 33.34 ? -5 A 1 -ATOM 89 H HG3 . PRO A1 1 5 ? 32.931 10.35 -27.771 1.0 33.34 ? -5 A 1 -ATOM 90 H HD2 . PRO A1 1 5 ? 32.094 12.565 -28.87 1.0 32.41 ? -5 A 1 -ATOM 91 H HD3 . PRO A1 1 5 ? 32.651 11.341 -29.717 1.0 32.41 ? -5 A 1 -ATOM 92 N N . GLN A1 1 6 ? 27.874 10.185 -27.464 1.0 23.78 ? -4 A 1 -ATOM 93 C CA . GLN A1 1 6 ? 26.799 10.587 -26.595 1.0 23.02 ? -4 A 1 -ATOM 94 C C . GLN A1 1 6 ? 27.211 10.457 -25.129 1.0 24.25 ? -4 A 1 -ATOM 95 O O . GLN A1 1 6 ? 28.094 9.691 -24.801 1.0 27.41 ? -4 A 1 -ATOM 96 C CB . GLN A1 1 6 ? 25.61 9.66 -26.823 1.0 24.39 ? -4 A 1 -ATOM 97 C CG . GLN A1 1 6 ? 24.956 9.818 -28.22 1.0 37.55 ? -4 A 1 -ATOM 98 H H . GLN A1 1 6 ? 27.802 9.371 -27.731 1.0 28.54 ? -4 A 1 -ATOM 99 H HA . GLN A1 1 6 ? 26.562 11.509 -26.779 1.0 27.62 ? -4 A 1 -ATOM 100 H HB2 . GLN A1 1 6 ? 25.908 8.742 -26.738 1.0 29.27 ? -4 A 1 -ATOM 101 H HB3 . GLN A1 1 6 ? 24.932 9.852 -26.155 1.0 29.27 ? -4 A 1 -ATOM 102 N N . PHE A1 1 7 ? 26.523 11.19 -24.294 1.0 24.25 ? -3 A 1 -ATOM 103 C CA . PHE A1 1 7 ? 26.769 11.152 -22.851 1.0 23.83 ? -3 A 1 -ATOM 104 C C . PHE A1 1 7 ? 26.07 9.96 -22.223 1.0 26.94 ? -3 A 1 -ATOM 105 O O . PHE A1 1 7 ? 25.039 9.48 -22.696 1.0 28.29 ? -3 A 1 -ATOM 106 C CB . PHE A1 1 7 ? 26.202 12.43 -22.239 1.0 22.45 ? -3 A 1 -ATOM 107 C CG . PHE A1 1 7 ? 26.994 13.655 -22.589 1.0 22.39 ? -3 A 1 -ATOM 108 C CD1 . PHE A1 1 7 ? 28.253 13.859 -22.148 1.0 22.48 ? -3 A 1 -ATOM 109 C CD2 . PHE A1 1 7 ? 26.445 14.634 -23.393 1.0 48.1 ? -3 A 1 -ATOM 110 C CE1 . PHE A1 1 7 ? 28.984 14.967 -22.405 1.0 23.69 ? -3 A 1 -ATOM 111 C CE2 . PHE A1 1 7 ? 27.189 15.774 -23.716 1.0 40.66 ? -3 A 1 -ATOM 112 C CZ . PHE A1 1 7 ? 28.451 15.934 -23.212 1.0 36.7 ? -3 A 1 -ATOM 113 H H . PHE A1 1 7 ? 25.896 11.73 -24.527 1.0 29.11 ? -3 A 1 -ATOM 114 H HA . PHE A1 1 7 ? 27.719 11.078 -22.668 1.0 28.6 ? -3 A 1 -ATOM 115 H HB2 . PHE A1 1 7 ? 25.297 12.558 -22.562 1.0 26.95 ? -3 A 1 -ATOM 116 H HB3 . PHE A1 1 7 ? 26.2 12.342 -21.273 1.0 26.95 ? -3 A 1 -ATOM 117 H HD1 . PHE A1 1 7 ? 28.644 13.192 -21.631 1.0 26.97 ? -3 A 1 -ATOM 118 H HD2 . PHE A1 1 7 ? 25.58 14.536 -23.72 1.0 57.71 ? -3 A 1 -ATOM 119 H HE1 . PHE A1 1 7 ? 29.834 15.069 -22.041 1.0 28.43 ? -3 A 1 -ATOM 120 H HE2 . PHE A1 1 7 ? 26.825 16.423 -24.275 1.0 48.79 ? -3 A 1 -ATOM 121 H HZ . PHE A1 1 7 ? 28.942 16.696 -23.416 1.0 44.04 ? -3 A 1 -ATOM 122 N N . GLU A1 1 8 ? 26.632 9.501 -21.115 1.0 25.59 ? -2 A 1 -ATOM 123 C CA . GLU A1 1 8 ? 26.009 8.428 -20.348 1.0 29.53 ? -2 A 1 -ATOM 124 C C . GLU A1 1 8 ? 24.61 8.778 -19.864 1.0 26.25 ? -2 A 1 -ATOM 125 O O . GLU A1 1 8 ? 24.321 9.884 -19.391 1.0 25.07 ? -2 A 1 -ATOM 126 C CB . GLU A1 1 8 ? 26.922 8.09 -19.165 1.0 29.58 ? -2 A 1 -ATOM 127 C CG . GLU A1 1 8 ? 26.626 6.753 -18.496 1.0 69.91 ? -2 A 1 -ATOM 128 C CD . GLU A1 1 8 ? 25.582 6.852 -17.405 1.0 107.8 ? -2 A 1 -ATOM 129 O OE1 . GLU A1 1 8 ? 25.557 7.881 -16.687 1.0 49.86 ? -2 A 1 -ATOM 130 O OE2 . GLU A1 1 8 ? 24.789 5.892 -17.262 1.0 36.84 ? -2 A 1 -ATOM 131 H H . GLU A1 1 8 ? 27.371 9.791 -20.785 1.0 30.7 ? -2 A 1 -ATOM 132 H HA . GLU A1 1 8 ? 25.899 7.65 -20.917 1.0 35.44 ? -2 A 1 -ATOM 133 H HB2 . GLU A1 1 8 ? 27.839 8.062 -19.48 1.0 35.5 ? -2 A 1 -ATOM 134 H HB3 . GLU A1 1 8 ? 26.824 8.781 -18.491 1.0 35.5 ? -2 A 1 -ATOM 135 H HG2 . GLU A1 1 8 ? 26.299 6.132 -19.166 1.0 83.9 ? -2 A 1 -ATOM 136 H HG3 . GLU A1 1 8 ? 27.442 6.412 -18.098 1.0 83.9 ? -2 A 1 -ATOM 137 N N . LYS A1 1 9 ? 23.739 7.751 -19.85 1.0 28.53 ? -1 A 1 -ATOM 138 C CA . LYS A1 1 9 ? 22.313 7.942 -19.606 1.0 28.31 ? -1 A 1 -ATOM 139 C C . LYS A1 1 9 ? 21.967 8.358 -18.174 1.0 23.68 ? -1 A 1 -ATOM 140 O O . LYS A1 1 9 ? 21.176 9.268 -17.966 1.0 25.84 ? -1 A 1 -ATOM 141 C CB . LYS A1 1 9 ? 21.569 6.649 -19.99 1.0 29.13 ? -1 A 1 -ATOM 142 C CG . LYS A1 1 9 ? 21.697 6.312 -21.459 1.0 40.7 ? -1 A 1 -ATOM 143 H H . LYS A1 1 9 ? 23.958 6.929 -19.982 1.0 34.23 ? -1 A 1 -ATOM 144 H HA . LYS A1 1 9 ? 22.018 8.679 -20.163 1.0 33.97 ? -1 A 1 -ATOM 145 H HB2 . LYS A1 1 9 ? 21.936 5.91 -19.48 1.0 34.96 ? -1 A 1 -ATOM 146 H HB3 . LYS A1 1 9 ? 20.626 6.755 -19.788 1.0 34.96 ? -1 A 1 -ATOM 147 N N . ALA A1 1 10 ? 22.541 7.7 -17.158 1.0 27.77 ? 0 A 1 -ATOM 148 C CA . ALA A1 1 10 ? 22.168 8.046 -15.794 1.0 32.88 ? 0 A 1 -ATOM 149 C C . ALA A1 1 10 ? 22.572 9.48 -15.477 1.0 25.14 ? 0 A 1 -ATOM 150 O O . ALA A1 1 10 ? 21.811 10.22 -14.86 1.0 26.67 ? 0 A 1 -ATOM 151 C CB . ALA A1 1 10 ? 22.841 7.093 -14.797 1.0 40.14 ? 0 A 1 -ATOM 152 H H . ALA A1 1 10 ? 23.125 7.074 -17.235 1.0 33.33 ? 0 A 1 -ATOM 153 H HA . ALA A1 1 10 ? 21.206 7.955 -15.702 1.0 39.45 ? 0 A 1 -ATOM 154 H HB1 . ALA A1 1 10 ? 22.582 7.344 -13.897 1.0 48.16 ? 0 A 1 -ATOM 155 H HB2 . ALA A1 1 10 ? 22.552 6.186 -14.984 1.0 48.16 ? 0 A 1 -ATOM 156 H HB3 . ALA A1 1 10 ? 23.803 7.161 -14.896 1.0 48.16 ? 0 A 1 -ATOM 157 N N . SER A1 1 11 ? 23.757 9.886 -15.915 1.0 29.79 ? 1 A 1 -ATOM 158 C CA . SER A1 1 11 ? 24.198 11.235 -15.579 1.0 27.03 ? 1 A 1 -ATOM 159 C C . SER A1 1 11 ? 23.384 12.274 -16.34 1.0 23.91 ? 1 A 1 -ATOM 160 O O . SER A1 1 11 ? 22.95 13.267 -15.741 1.0 24.82 ? 1 A 1 -ATOM 161 C CB . SER A1 1 11 ? 25.659 11.439 -15.899 1.0 32.94 ? 1 A 1 -ATOM 162 O OG . SER A1 1 11 ? 25.972 12.758 -15.498 1.0 30.22 ? 1 A 1 -ATOM 163 H H . SER A1 1 11 ? 24.304 9.42 -16.388 1.0 35.75 ? 1 A 1 -ATOM 164 H HA . SER A1 1 11 ? 24.08 11.349 -14.623 1.0 32.44 ? 1 A 1 -ATOM 165 H HB2 . SER A1 1 11 ? 26.201 10.803 -15.407 1.0 39.53 ? 1 A 1 -ATOM 166 H HB3 . SER A1 1 11 ? 25.81 11.336 -16.852 1.0 39.53 ? 1 A 1 -ATOM 167 H HG . SER A1 1 11 ? 26.741 12.964 -15.764 1.0 36.27 ? 1 A 1 -ATOM 168 N N . THR A1 1 12 ? 23.071 11.994 -17.619 1.0 24.48 ? 2 A 1 -ATOM 169 C CA . THR A1 1 12 ? 22.142 12.835 -18.388 1.0 22.44 ? 2 A 1 -ATOM 170 C C . THR A1 1 12 ? 20.8 12.944 -17.679 1.0 24.37 ? 2 A 1 -ATOM 171 O O . THR A1 1 12 ? 20.262 14.04 -17.484 1.0 24.1 ? 2 A 1 -ATOM 172 C CB . THR A1 1 12 ? 21.902 12.264 -19.776 1.0 23.42 ? 2 A 1 -ATOM 173 O OG1 . THR A1 1 12 ? 23.105 12.36 -20.515 1.0 28.21 ? 2 A 1 -ATOM 174 C CG2 . THR A1 1 12 ? 20.819 13.054 -20.49 1.0 27.46 ? 2 A 1 -ATOM 175 H H . THR A1 1 12 ? 23.383 11.326 -18.061 1.0 29.38 ? 2 A 1 -ATOM 176 H HA . THR A1 1 12 ? 22.55 13.711 -18.477 1.0 26.92 ? 2 A 1 -ATOM 177 H HB . THR A1 1 12 ? 21.617 11.339 -19.713 1.0 28.1 ? 2 A 1 -ATOM 178 H HG1 . THR A1 1 12 ? 23.715 11.93 -20.129 1.0 33.86 ? 2 A 1 -ATOM 179 H HG21 . THR A1 1 12 ? 20.895 12.93 -21.449 1.0 32.95 ? 2 A 1 -ATOM 180 H HG22 . THR A1 1 12 ? 19.943 12.752 -20.202 1.0 32.95 ? 2 A 1 -ATOM 181 H HG23 . THR A1 1 12 ? 20.908 13.999 -20.286 1.0 32.95 ? 2 A 1 -ATOM 182 N N . GLY A1 1 13 ? 20.284 11.818 -17.21 1.0 22.35 ? 3 A 1 -ATOM 183 C CA . GLY A1 1 13 ? 19.055 11.861 -16.42 1.0 23.55 ? 3 A 1 -ATOM 184 C C . GLY A1 1 13 ? 19.172 12.688 -15.15 1.0 22.85 ? 3 A 1 -ATOM 185 O O . GLY A1 1 13 ? 18.268 13.45 -14.787 1.0 24.72 ? 3 A 1 -ATOM 186 H H . GLY A1 1 13 ? 20.614 11.033 -17.328 1.0 26.82 ? 3 A 1 -ATOM 187 H HA2 . GLY A1 1 13 ? 18.346 12.241 -16.962 1.0 28.26 ? 3 A 1 -ATOM 188 H HA3 . GLY A1 1 13 ? 18.81 10.957 -16.168 1.0 28.26 ? 3 A 1 -ATOM 189 N N . ARG A1 1 14 ? 20.3 12.569 -14.456 1.0 23.83 ? 4 A 1 -ATOM 190 C CA . ARG A1 1 14 ? 20.472 13.36 -13.245 1.0 27.88 ? 4 A 1 -ATOM 191 C C . ARG A1 1 14 ? 20.564 14.849 -13.602 1.0 26.39 ? 4 A 1 -ATOM 192 O O . ARG A1 1 14 ? 20.095 15.71 -12.859 1.0 32.82 ? 4 A 1 -ATOM 193 C CB . ARG A1 1 14 ? 21.74 12.914 -12.471 1.0 33.78 ? 4 A 1 -ATOM 194 C CG . ARG A1 1 14 ? 21.559 11.537 -11.752 1.0 32.28 ? 4 A 1 -ATOM 195 C CD . ARG A1 1 14 ? 22.699 11.213 -10.769 1.0 30.62 ? 4 A 1 -ATOM 196 N NE . ARG A1 1 14 ? 23.986 11.187 -11.435 1.0 33.27 ? 4 A 1 -ATOM 197 C CZ . ARG A1 1 14 ? 24.548 10.094 -11.971 1.0 57.78 ? 4 A 1 -ATOM 198 N NH1 . ARG A1 1 14 ? 23.95 8.905 -11.915 1.0 37.08 ? 4 A 1 -ATOM 199 N NH2 . ARG A1 1 14 ? 25.728 10.187 -12.55 1.0 36.56 ? 4 A 1 -ATOM 200 H H . ARG A1 1 14 ? 20.959 12.055 -14.658 1.0 28.6 ? 4 A 1 -ATOM 201 H HA . ARG A1 1 14 ? 19.711 13.215 -12.66 1.0 33.46 ? 4 A 1 -ATOM 202 H HB2 . ARG A1 1 14 ? 22.478 12.832 -13.095 1.0 40.54 ? 4 A 1 -ATOM 203 H HB3 . ARG A1 1 14 ? 21.948 13.579 -11.796 1.0 40.54 ? 4 A 1 -ATOM 204 H HG2 . ARG A1 1 14 ? 20.728 11.549 -11.251 1.0 38.74 ? 4 A 1 -ATOM 205 H HG3 . ARG A1 1 14 ? 21.532 10.834 -12.42 1.0 38.74 ? 4 A 1 -ATOM 206 H HD2 . ARG A1 1 14 ? 22.728 11.892 -10.076 1.0 36.75 ? 4 A 1 -ATOM 207 H HD3 . ARG A1 1 14 ? 22.543 10.341 -10.373 1.0 36.75 ? 4 A 1 -ATOM 208 H HE . ARG A1 1 14 ? 24.422 11.926 -11.49 1.0 39.93 ? 4 A 1 -ATOM 209 H HH11 . ARG A1 1 14 ? 23.186 8.825 -11.528 1.0 44.5 ? 4 A 1 -ATOM 210 H HH12 . ARG A1 1 14 ? 24.328 8.216 -12.265 1.0 44.5 ? 4 A 1 -ATOM 211 H HH21 . ARG A1 1 14 ? 26.132 10.946 -12.582 1.0 43.87 ? 4 A 1 -ATOM 212 H HH22 . ARG A1 1 14 ? 26.094 9.49 -12.896 1.0 43.87 ? 4 A 1 -ATOM 213 N N . GLU A1 1 15 ? 21.198 15.156 -14.706 1.0 25.65 ? 5 A 1 -ATOM 214 C CA . GLU A1 1 15 ? 21.264 16.554 -15.15 1.0 30.27 ? 5 A 1 -ATOM 215 C C . GLU A1 1 15 ? 19.891 17.084 -15.572 1.0 24.14 ? 5 A 1 -ATOM 216 O O . GLU A1 1 15 ? 19.563 18.239 -15.295 1.0 27.91 ? 5 A 1 -ATOM 217 C CB . GLU A1 1 15 ? 22.283 16.719 -16.265 1.0 26.51 ? 5 A 1 -ATOM 218 C CG . GLU A1 1 15 ? 23.76 16.717 -15.647 1.0 36.46 ? 5 A 1 -ATOM 219 C CD . GLU A1 1 15 ? 24.891 17.064 -16.619 1.0 84.59 ? 5 A 1 -ATOM 220 O OE1 . GLU A1 1 15 ? 24.669 16.827 -17.823 1.0 62.11 ? 5 A 1 -ATOM 221 O OE2 . GLU A1 1 15 ? 26.002 17.557 -16.187 1.0 31.23 ? 5 A 1 -ATOM 222 H H . GLU A1 1 15 ? 21.597 14.594 -15.22 1.0 30.78 ? 5 A 1 -ATOM 223 H HA . GLU A1 1 15 ? 21.566 17.093 -14.402 1.0 36.32 ? 5 A 1 -ATOM 224 H HB2 . GLU A1 1 15 ? 22.205 15.983 -16.892 1.0 31.82 ? 5 A 1 -ATOM 225 H HB3 . GLU A1 1 15 ? 22.136 17.562 -16.722 1.0 31.82 ? 5 A 1 -ATOM 226 H HG2 . GLU A1 1 15 ? 23.79 17.368 -14.928 1.0 43.75 ? 5 A 1 -ATOM 227 H HG3 . GLU A1 1 15 ? 23.943 15.83 -15.299 1.0 43.75 ? 5 A 1 -ATOM 228 N N . ILE A1 1 16 ? 19.081 16.258 -16.22 1.0 23.23 ? 6 A 1 -ATOM 229 C CA . ILE A1 1 16 ? 17.701 16.66 -16.524 1.0 22.2 ? 6 A 1 -ATOM 230 C C . ILE A1 1 16 ? 16.905 16.926 -15.244 1.0 23.61 ? 6 A 1 -ATOM 231 O O . ILE A1 1 16 ? 16.211 17.945 -15.124 1.0 25.49 ? 6 A 1 -ATOM 232 C CB . ILE A1 1 16 ? 17.031 15.613 -17.421 1.0 22.84 ? 6 A 1 -ATOM 233 C CG1 . ILE A1 1 16 ? 17.66 15.544 -18.815 1.0 24.96 ? 6 A 1 -ATOM 234 C CG2 . ILE A1 1 16 ? 15.517 15.874 -17.557 1.0 22.82 ? 6 A 1 -ATOM 235 C CD1 . ILE A1 1 16 ? 17.553 16.818 -19.644 1.0 27.36 ? 6 A 1 -ATOM 236 H H . ILE A1 1 16 ? 19.295 15.472 -16.493 1.0 27.88 ? 6 A 1 -ATOM 237 H HA . ILE A1 1 16 ? 17.727 17.498 -17.012 1.0 26.64 ? 6 A 1 -ATOM 238 H HB . ILE A1 1 16 ? 17.175 14.761 -16.981 1.0 27.41 ? 6 A 1 -ATOM 239 H HG12 . ILE A1 1 16 ? 18.604 15.343 -18.715 1.0 29.95 ? 6 A 1 -ATOM 240 H HG13 . ILE A1 1 16 ? 17.221 14.837 -19.314 1.0 29.95 ? 6 A 1 -ATOM 241 H HG21 . ILE A1 1 16 ? 15.174 15.36 -18.306 1.0 27.39 ? 6 A 1 -ATOM 242 H HG22 . ILE A1 1 16 ? 15.074 15.601 -16.739 1.0 27.39 ? 6 A 1 -ATOM 243 H HG23 . ILE A1 1 16 ? 15.372 16.821 -17.712 1.0 27.39 ? 6 A 1 -ATOM 244 H HD11 . ILE A1 1 16 ? 17.903 16.647 -20.532 1.0 32.83 ? 6 A 1 -ATOM 245 H HD12 . ILE A1 1 16 ? 16.621 17.081 -19.701 1.0 32.83 ? 6 A 1 -ATOM 246 H HD13 . ILE A1 1 16 ? 18.069 17.518 -19.215 1.0 32.83 ? 6 A 1 -ATOM 247 N N . LEU A1 1 17 ? 17.007 16.033 -14.251 1.0 23.41 ? 7 A 1 -ATOM 248 C CA . LEU A1 1 17 ? 16.324 16.247 -12.971 1.0 24.52 ? 7 A 1 -ATOM 249 C C . LEU A1 1 17 ? 16.76 17.543 -12.311 1.0 24.47 ? 7 A 1 -ATOM 250 O O . LEU A1 1 17 ? 15.918 18.276 -11.782 1.0 28.2 ? 7 A 1 -ATOM 251 C CB . LEU A1 1 17 ? 16.555 15.062 -12.021 1.0 25.43 ? 7 A 1 -ATOM 252 C CG . LEU A1 1 17 ? 15.876 13.781 -12.48 1.0 23.71 ? 7 A 1 -ATOM 253 C CD1 . LEU A1 1 17 ? 16.474 12.537 -11.806 1.0 27.62 ? 7 A 1 -ATOM 254 C CD2 . LEU A1 1 17 ? 14.367 13.813 -12.227 1.0 28.12 ? 7 A 1 -ATOM 255 H H . LEU A1 1 17 ? 17.46 15.303 -14.293 1.0 28.09 ? 7 A 1 -ATOM 256 H HA . LEU A1 1 17 ? 15.372 16.304 -13.149 1.0 29.42 ? 7 A 1 -ATOM 257 H HB2 . LEU A1 1 17 ? 17.508 14.89 -11.962 1.0 30.51 ? 7 A 1 -ATOM 258 H HB3 . LEU A1 1 17 ? 16.204 15.289 -11.146 1.0 30.51 ? 7 A 1 -ATOM 259 H HG . LEU A1 1 17 ? 16.029 13.715 -13.435 1.0 28.45 ? 7 A 1 -ATOM 260 H HD11 . LEU A1 1 17 ? 16.022 11.747 -12.142 1.0 33.14 ? 7 A 1 -ATOM 261 H HD12 . LEU A1 1 17 ? 17.421 12.49 -12.014 1.0 33.14 ? 7 A 1 -ATOM 262 H HD13 . LEU A1 1 17 ? 16.35 12.607 -10.847 1.0 33.14 ? 7 A 1 -ATOM 263 H HD21 . LEU A1 1 17 ? 13.982 12.967 -12.503 1.0 33.75 ? 7 A 1 -ATOM 264 H HD22 . LEU A1 1 17 ? 14.208 13.955 -11.28 1.0 33.75 ? 7 A 1 -ATOM 265 H HD23 . LEU A1 1 17 ? 13.976 14.538 -12.739 1.0 33.75 ? 7 A 1 -ATOM 266 N N . GLU A1 1 18 ? 18.064 17.866 -12.362 1.0 25.93 ? 8 A 1 -ATOM 267 C CA . GLU A1 1 18 ? 18.543 19.097 -11.763 1.0 30.48 ? 8 A 1 -ATOM 268 C C . GLU A1 1 18 ? 17.961 20.312 -12.474 1.0 26.17 ? 8 A 1 -ATOM 269 O O . GLU A1 1 18 ? 17.606 21.303 -11.829 1.0 30.91 ? 8 A 1 -ATOM 270 C CB . GLU A1 1 18 ? 20.073 19.122 -11.798 1.0 31.8 ? 8 A 1 -ATOM 271 C CG . GLU A1 1 18 ? 20.671 20.503 -11.577 1.0 45.12 ? 8 A 1 -ATOM 272 C CD . GLU A1 1 18 ? 22.035 20.454 -10.928 1.0 84.93 ? 8 A 1 -ATOM 273 O OE1 . GLU A1 1 18 ? 22.991 19.98 -11.578 1.0 73.57 ? 8 A 1 -ATOM 274 O OE2 . GLU A1 1 18 ? 22.143 20.881 -9.76 1.0 100.44 ? 8 A 1 -ATOM 275 H H . GLU A1 1 18 ? 18.675 17.389 -12.734 1.0 31.12 ? 8 A 1 -ATOM 276 H HA . GLU A1 1 18 ? 18.264 19.137 -10.836 1.0 36.57 ? 8 A 1 -ATOM 277 H HB2 . GLU A1 1 18 ? 20.41 18.538 -11.1 1.0 38.16 ? 8 A 1 -ATOM 278 H HB3 . GLU A1 1 18 ? 20.37 18.806 -12.666 1.0 38.16 ? 8 A 1 -ATOM 279 H HG2 . GLU A1 1 18 ? 20.762 20.949 -12.434 1.0 54.15 ? 8 A 1 -ATOM 280 H HG3 . GLU A1 1 18 ? 20.082 21.013 -10.998 1.0 54.15 ? 8 A 1 -ATOM 281 N N . LYS A1 1 19 ? 17.866 20.252 -13.806 1.0 28.95 ? 9 A 1 -ATOM 282 C CA . LYS A1 1 19 ? 17.277 21.358 -14.557 1.0 27.62 ? 9 A 1 -ATOM 283 C C . LYS A1 1 19 ? 15.79 21.51 -14.235 1.0 23.18 ? 9 A 1 -ATOM 284 O O . LYS A1 1 19 ? 15.299 22.615 -14.069 1.0 26.16 ? 9 A 1 -ATOM 285 C CB . LYS A1 1 19 ? 17.534 21.173 -16.056 1.0 26.87 ? 9 A 1 -ATOM 286 C CG . LYS A1 1 19 ? 19.016 21.383 -16.439 1.0 30.45 ? 9 A 1 -ATOM 287 C CD . LYS A1 1 19 ? 19.242 21.46 -17.915 1.0 34.83 ? 9 A 1 -ATOM 288 C CE . LYS A1 1 19 ? 20.715 21.78 -18.239 1.0 46.24 ? 9 A 1 -ATOM 289 H H . LYS A1 1 19 ? 18.131 19.592 -14.289 1.0 34.74 ? 9 A 1 -ATOM 290 H HA . LYS A1 1 19 ? 17.707 22.189 -14.303 1.0 33.14 ? 9 A 1 -ATOM 291 H HB2 . LYS A1 1 19 ? 17.282 20.271 -16.31 1.0 32.24 ? 9 A 1 -ATOM 292 H HB3 . LYS A1 1 19 ? 17.002 21.817 -16.549 1.0 32.24 ? 9 A 1 -ATOM 293 H HG2 . LYS A1 1 19 ? 19.328 22.214 -16.047 1.0 36.53 ? 9 A 1 -ATOM 294 H HG3 . LYS A1 1 19 ? 19.537 20.639 -16.098 1.0 36.53 ? 9 A 1 -ATOM 295 H HD2 . LYS A1 1 19 ? 19.018 20.608 -18.32 1.0 41.79 ? 9 A 1 -ATOM 296 H HD3 . LYS A1 1 19 ? 18.687 22.162 -18.289 1.0 41.79 ? 9 A 1 -ATOM 297 N N . LEU A1 1 20 ? 15.082 20.398 -14.04 1.0 22.9 ? 10 A 1 -ATOM 298 C CA . LEU A1 1 20 ? 13.655 20.477 -13.678 1.0 23.21 ? 10 A 1 -ATOM 299 C C . LEU A1 1 20 ? 13.502 21.062 -12.281 1.0 23.54 ? 10 A 1 -ATOM 300 O O . LEU A1 1 20 ? 12.613 21.888 -12.046 1.0 28.3 ? 10 A 1 -ATOM 301 C CB . LEU A1 1 20 ? 13.004 19.094 -13.776 1.0 21.14 ? 10 A 1 -ATOM 302 C CG . LEU A1 1 20 ? 12.88 18.566 -15.2 1.0 21.97 ? 10 A 1 -ATOM 303 C CD1 . LEU A1 1 20 ? 12.384 17.125 -15.134 1.0 21.62 ? 10 A 1 -ATOM 304 C CD2 . LEU A1 1 20 ? 11.98 19.399 -16.042 1.0 25.63 ? 10 A 1 -ATOM 305 H H . LEU A1 1 20 ? 15.391 19.598 -14.108 1.0 27.48 ? 10 A 1 -ATOM 306 H HA . LEU A1 1 20 ? 13.191 21.053 -14.306 1.0 27.85 ? 10 A 1 -ATOM 307 H HB2 . LEU A1 1 20 ? 13.54 18.462 -13.271 1.0 25.37 ? 10 A 1 -ATOM 308 H HB3 . LEU A1 1 20 ? 12.11 19.145 -13.4 1.0 25.37 ? 10 A 1 -ATOM 309 H HG . LEU A1 1 20 ? 13.748 18.601 -15.632 1.0 26.37 ? 10 A 1 -ATOM 310 H HD11 . LEU A1 1 20 ? 12.316 16.773 -16.035 1.0 25.94 ? 10 A 1 -ATOM 311 H HD12 . LEU A1 1 20 ? 13.015 16.598 -14.619 1.0 25.94 ? 10 A 1 -ATOM 312 H HD13 . LEU A1 1 20 ? 11.514 17.11 -14.706 1.0 25.94 ? 10 A 1 -ATOM 313 H HD21 . LEU A1 1 20 ? 11.78 18.919 -16.861 1.0 30.75 ? 10 A 1 -ATOM 314 H HD22 . LEU A1 1 20 ? 11.161 19.573 -15.552 1.0 30.75 ? 10 A 1 -ATOM 315 H HD23 . LEU A1 1 20 ? 12.425 20.235 -16.249 1.0 30.75 ? 10 A 1 -ATOM 316 N N . GLU A1 1 21 ? 14.406 20.681 -11.353 1.0 26.73 ? 11 A 1 -ATOM 317 C CA . GLU A1 1 21 ? 14.338 21.168 -9.979 1.0 31.03 ? 11 A 1 -ATOM 318 C C . GLU A1 1 21 ? 14.664 22.651 -9.907 1.0 33.81 ? 11 A 1 -ATOM 319 O O . GLU A1 1 21 ? 14.092 23.367 -9.081 1.0 35.52 ? 11 A 1 -ATOM 320 C CB . GLU A1 1 21 ? 15.285 20.356 -9.099 1.0 38.79 ? 11 A 1 -ATOM 321 C CG . GLU A1 1 21 ? 14.8 20.202 -7.664 1.0 47.09 ? 11 A 1 -ATOM 322 C CD . GLU A1 1 21 ? 15.923 19.896 -6.695 1.0 113.55 ? 11 A 1 -ATOM 323 O OE1 . GLU A1 1 21 ? 16.0 20.565 -5.637 1.0 76.71 ? 11 A 1 -ATOM 324 O OE2 . GLU A1 1 21 ? 16.733 18.992 -6.999 1.0 123.52 ? 11 A 1 -ATOM 325 H H . GLU A1 1 21 ? 15.061 20.144 -11.502 1.0 32.08 ? 11 A 1 -ATOM 326 H HA . GLU A1 1 21 ? 13.439 21.046 -9.635 1.0 37.24 ? 11 A 1 -ATOM 327 H HB2 . GLU A1 1 21 ? 15.379 19.468 -9.478 1.0 46.55 ? 11 A 1 -ATOM 328 H HB3 . GLU A1 1 21 ? 16.147 20.799 -9.075 1.0 46.55 ? 11 A 1 -ATOM 329 H HG2 . GLU A1 1 21 ? 14.378 21.029 -7.382 1.0 56.51 ? 11 A 1 -ATOM 330 H HG3 . GLU A1 1 21 ? 14.161 19.473 -7.622 1.0 56.51 ? 11 A 1 -ATOM 331 N N . ARG A1 1 22 ? 15.541 23.129 -10.782 1.0 33.16 ? 12 A 1 -ATOM 332 C CA . ARG A1 1 22 ? 15.856 24.545 -10.942 1.0 36.15 ? 12 A 1 -ATOM 333 C C . ARG A1 1 22 ? 14.873 25.262 -11.858 1.0 31.75 ? 12 A 1 -ATOM 334 O O . ARG A1 1 22 ? 15.021 26.47 -12.106 1.0 35.07 ? 12 A 1 -ATOM 335 C CB . ARG A1 1 22 ? 17.29 24.717 -11.479 1.0 34.0 ? 12 A 1 -ATOM 336 C CG . ARG A1 1 22 ? 18.347 24.519 -10.402 1.0 65.65 ? 12 A 1 -ATOM 337 C CD . ARG A1 1 22 ? 19.745 24.786 -10.939 1.0 52.58 ? 12 A 1 -ATOM 338 N NE . ARG A1 1 22 ? 19.949 24.136 -12.225 1.0 47.82 ? 12 A 1 -ATOM 339 C CZ . ARG A1 1 22 ? 21.088 24.152 -12.904 1.0 90.47 ? 12 A 1 -ATOM 340 N NH1 . ARG A1 1 22 ? 22.139 24.8 -12.422 1.0 100.68 ? 12 A 1 -ATOM 341 N NH2 . ARG A1 1 22 ? 21.178 23.52 -14.067 1.0 62.28 ? 12 A 1 -ATOM 342 H H . ARG A1 1 22 ? 15.99 22.63 -11.32 1.0 39.8 ? 12 A 1 -ATOM 343 H HA . ARG A1 1 22 ? 15.82 24.971 -10.072 1.0 43.38 ? 12 A 1 -ATOM 344 H HB2 . ARG A1 1 22 ? 17.447 24.063 -12.178 1.0 40.8 ? 12 A 1 -ATOM 345 H HB3 . ARG A1 1 22 ? 17.389 25.614 -11.836 1.0 40.8 ? 12 A 1 -ATOM 346 H HG2 . ARG A1 1 22 ? 18.179 25.132 -9.67 1.0 78.78 ? 12 A 1 -ATOM 347 H HG3 . ARG A1 1 22 ? 18.313 23.603 -10.083 1.0 78.78 ? 12 A 1 -ATOM 348 H HD2 . ARG A1 1 22 ? 19.868 25.741 -11.056 1.0 63.09 ? 12 A 1 -ATOM 349 H HD3 . ARG A1 1 22 ? 20.402 24.441 -10.314 1.0 63.09 ? 12 A 1 -ATOM 350 H HE . ARG A1 1 22 ? 19.285 23.711 -12.568 1.0 57.38 ? 12 A 1 -ATOM 351 H HH11 . ARG A1 1 22 ? 22.082 25.21 -11.668 1.0 120.82 ? 12 A 1 -ATOM 352 H HH12 . ARG A1 1 22 ? 22.877 24.811 -12.863 1.0 120.82 ? 12 A 1 -ATOM 353 H HH21 . ARG A1 1 22 ? 20.497 23.099 -14.381 1.0 74.73 ? 12 A 1 -ATOM 354 H HH22 . ARG A1 1 22 ? 21.917 23.531 -14.507 1.0 74.73 ? 12 A 1 -ATOM 355 N N . ARG A1 1 23 ? 13.876 24.557 -12.364 1.0 28.77 ? 13 A 1 -ATOM 356 C CA . ARG A1 1 23 ? 12.812 25.158 -13.155 1.0 30.18 ? 13 A 1 -ATOM 357 C C . ARG A1 1 23 ? 13.321 25.773 -14.454 1.0 28.29 ? 13 A 1 -ATOM 358 O O . ARG A1 1 23 ? 12.854 26.824 -14.893 1.0 34.96 ? 13 A 1 -ATOM 359 C CB . ARG A1 1 23 ? 11.983 26.11 -12.295 1.0 29.75 ? 13 A 1 -ATOM 360 C CG . ARG A1 1 23 ? 11.456 25.385 -11.033 1.0 31.48 ? 13 A 1 -ATOM 361 C CD . ARG A1 1 23 ? 10.403 26.141 -10.278 1.0 36.0 ? 13 A 1 -ATOM 362 N NE . ARG A1 1 23 ? 9.186 26.295 -11.055 1.0 31.74 ? 13 A 1 -ATOM 363 C CZ . ARG A1 1 23 ? 8.266 25.348 -11.216 1.0 28.16 ? 13 A 1 -ATOM 364 N NH1 . ARG A1 1 23 ? 8.419 24.148 -10.689 1.0 23.79 ? 13 A 1 -ATOM 365 N NH2 . ARG A1 1 23 ? 7.189 25.656 -11.936 1.0 25.67 ? 13 A 1 -ATOM 366 H H . ARG A1 1 23 ? 13.788 23.708 -12.261 1.0 34.52 ? 13 A 1 -ATOM 367 H HA . ARG A1 1 23 ? 12.209 24.461 -13.457 1.0 36.22 ? 13 A 1 -ATOM 368 H HB2 . ARG A1 1 23 ? 12.535 26.857 -12.015 1.0 35.71 ? 13 A 1 -ATOM 369 H HB3 . ARG A1 1 23 ? 11.225 26.431 -12.807 1.0 35.71 ? 13 A 1 -ATOM 370 H HG2 . ARG A1 1 23 ? 11.071 24.536 -11.301 1.0 37.78 ? 13 A 1 -ATOM 371 H HG3 . ARG A1 1 23 ? 12.199 25.235 -10.428 1.0 37.78 ? 13 A 1 -ATOM 372 H HD2 . ARG A1 1 23 ? 10.185 25.66 -9.464 1.0 43.2 ? 13 A 1 -ATOM 373 H HD3 . ARG A1 1 23 ? 10.738 27.025 -10.061 1.0 43.2 ? 13 A 1 -ATOM 374 H HE . ARG A1 1 23 ? 9.05 27.052 -11.438 1.0 38.08 ? 13 A 1 -ATOM 375 H HH11 . ARG A1 1 23 ? 9.124 23.966 -10.232 1.0 28.54 ? 13 A 1 -ATOM 376 H HH12 . ARG A1 1 23 ? 7.814 23.548 -10.804 1.0 28.54 ? 13 A 1 -ATOM 377 H HH21 . ARG A1 1 23 ? 7.109 26.442 -12.276 1.0 30.8 ? 13 A 1 -ATOM 378 H HH22 . ARG A1 1 23 ? 6.573 25.068 -12.061 1.0 30.8 ? 13 A 1 -ATOM 379 N N . GLU A1 1 24 ? 14.301 25.103 -15.074 1.0 29.75 ? 14 A 1 -ATOM 380 C CA . GLU A1 1 24 ? 14.852 25.506 -16.372 1.0 30.25 ? 14 A 1 -ATOM 381 C C . GLU A1 1 24 ? 14.151 24.672 -17.438 1.0 37.12 ? 14 A 1 -ATOM 382 O O . GLU A1 1 24 ? 14.655 23.64 -17.883 1.0 36.14 ? 14 A 1 -ATOM 383 C CB . GLU A1 1 24 ? 16.361 25.288 -16.372 1.0 37.31 ? 14 A 1 -ATOM 384 C CG . GLU A1 1 24 ? 17.069 26.077 -15.286 1.0 55.06 ? 14 A 1 -ATOM 385 C CD . GLU A1 1 24 ? 18.576 25.898 -15.313 1.0 75.5 ? 14 A 1 -ATOM 386 O OE1 . GLU A1 1 24 ? 19.22 26.14 -14.27 1.0 59.69 ? 14 A 1 -ATOM 387 O OE2 . GLU A1 1 24 ? 19.11 25.52 -16.378 1.0 62.03 ? 14 A 1 -ATOM 388 H H . GLU A1 1 24 ? 14.671 24.395 -14.754 1.0 35.7 ? 14 A 1 -ATOM 389 H HA . GLU A1 1 24 ? 14.668 26.442 -16.55 1.0 36.3 ? 14 A 1 -ATOM 390 H HB2 . GLU A1 1 24 ? 16.543 24.347 -16.227 1.0 44.77 ? 14 A 1 -ATOM 391 H HB3 . GLU A1 1 24 ? 16.72 25.567 -17.228 1.0 44.77 ? 14 A 1 -ATOM 392 H HG2 . GLU A1 1 24 ? 16.878 27.02 -15.405 1.0 66.07 ? 14 A 1 -ATOM 393 H HG3 . GLU A1 1 24 ? 16.748 25.78 -14.42 1.0 66.07 ? 14 A 1 -ATOM 394 N N . PHE A1 1 25 ? 12.984 25.149 -17.871 1.0 29.91 ? 15 A 1 -ATOM 395 C CA . PHE A1 1 25 ? 12.045 24.338 -18.643 1.0 31.37 ? 15 A 1 -ATOM 396 C C . PHE A1 1 25 ? 12.225 24.54 -20.148 1.0 43.89 ? 15 A 1 -ATOM 397 O O . PHE A1 1 25 ? 11.305 24.878 -20.885 1.0 37.04 ? 15 A 1 -ATOM 398 C CB . PHE A1 1 25 ? 10.62 24.682 -18.23 1.0 32.95 ? 15 A 1 -ATOM 399 C CG . PHE A1 1 25 ? 10.313 24.398 -16.801 1.0 27.88 ? 15 A 1 -ATOM 400 C CD1 . PHE A1 1 25 ? 10.635 23.183 -16.237 1.0 25.35 ? 15 A 1 -ATOM 401 C CD2 . PHE A1 1 25 ? 9.696 25.361 -16.03 1.0 26.83 ? 15 A 1 -ATOM 402 C CE1 . PHE A1 1 25 ? 10.312 22.924 -14.904 1.0 24.53 ? 15 A 1 -ATOM 403 C CE2 . PHE A1 1 25 ? 9.368 25.099 -14.719 1.0 28.82 ? 15 A 1 -ATOM 404 C CZ . PHE A1 1 25 ? 9.674 23.895 -14.166 1.0 26.67 ? 15 A 1 -ATOM 405 H H . PHE A1 1 25 ? 12.709 25.951 -17.727 1.0 35.89 ? 15 A 1 -ATOM 406 H HA . PHE A1 1 25 ? 12.226 23.405 -18.449 1.0 37.64 ? 15 A 1 -ATOM 407 H HB2 . PHE A1 1 25 ? 10.474 25.629 -18.38 1.0 39.54 ? 15 A 1 -ATOM 408 H HB3 . PHE A1 1 25 ? 10.006 24.162 -18.772 1.0 39.54 ? 15 A 1 -ATOM 409 H HD1 . PHE A1 1 25 ? 11.068 22.535 -16.745 1.0 30.42 ? 15 A 1 -ATOM 410 H HD2 . PHE A1 1 25 ? 9.501 26.192 -16.399 1.0 32.19 ? 15 A 1 -ATOM 411 H HE1 . PHE A1 1 25 ? 10.526 22.105 -14.518 1.0 29.43 ? 15 A 1 -ATOM 412 H HE2 . PHE A1 1 25 ? 8.937 25.747 -14.21 1.0 34.59 ? 15 A 1 -ATOM 413 H HZ . PHE A1 1 25 ? 9.449 23.725 -13.28 1.0 32.0 ? 15 A 1 -ATOM 414 N N . THR A1 1 26 ? 13.431 24.294 -20.616 1.0 30.38 ? 16 A 1 -ATOM 415 C CA . THR A1 1 26 ? 13.648 24.448 -22.042 1.0 32.36 ? 16 A 1 -ATOM 416 C C . THR A1 1 26 ? 13.02 23.277 -22.796 1.0 33.72 ? 16 A 1 -ATOM 417 O O . THR A1 1 26 ? 12.801 22.19 -22.266 1.0 28.55 ? 16 A 1 -ATOM 418 C CB . THR A1 1 26 ? 15.145 24.465 -22.341 1.0 34.49 ? 16 A 1 -ATOM 419 O OG1 . THR A1 1 26 ? 15.694 23.186 -22.035 1.0 31.37 ? 16 A 1 -ATOM 420 C CG2 . THR A1 1 26 ? 15.864 25.552 -21.51 1.0 32.53 ? 16 A 1 -ATOM 421 H H . THR A1 1 26 ? 14.111 24.047 -20.152 1.0 36.46 ? 16 A 1 -ATOM 422 H HA . THR A1 1 26 ? 13.249 25.279 -22.343 1.0 38.83 ? 16 A 1 -ATOM 423 H HB . THR A1 1 26 ? 15.288 24.668 -23.279 1.0 41.39 ? 16 A 1 -ATOM 424 H HG1 . THR A1 1 26 ? 16.518 23.181 -22.198 1.0 37.64 ? 16 A 1 -ATOM 425 H HG21 . THR A1 1 26 ? 16.796 25.608 -21.772 1.0 39.03 ? 16 A 1 -ATOM 426 H HG22 . THR A1 1 26 ? 15.443 26.414 -21.657 1.0 39.03 ? 16 A 1 -ATOM 427 H HG23 . THR A1 1 26 ? 15.815 25.335 -20.566 1.0 39.03 ? 16 A 1 -ATOM 428 N N . ARG A1 1 27 ? 12.747 23.508 -24.068 1.0 31.58 ? 17 A 1 -ATOM 429 C CA A ARG A1 1 27 ? 12.212 22.459 -24.922 0.49 27.64 ? 17 A 1 -ATOM 430 C CA B ARG A1 1 27 ? 12.204 22.452 -24.909 0.51 29.49 ? 17 A 1 -ATOM 431 C C . ARG A1 1 27 ? 13.095 21.215 -24.903 1.0 27.78 ? 17 A 1 -ATOM 432 O O . ARG A1 1 27 ? 12.594 20.092 -24.812 1.0 26.63 ? 17 A 1 -ATOM 433 C CB A ARG A1 1 27 ? 12.067 23.001 -26.337 0.49 33.87 ? 17 A 1 -ATOM 434 C CB B ARG A1 1 27 ? 12.019 22.98 -26.32 0.51 28.14 ? 17 A 1 -ATOM 435 C CG A ARG A1 1 27 ? 11.523 22.013 -27.301 0.49 35.32 ? 17 A 1 -ATOM 436 C CG B ARG A1 1 27 ? 11.441 22.012 -27.306 0.51 33.9 ? 17 A 1 -ATOM 437 C CD A ARG A1 1 27 ? 11.298 22.615 -28.673 0.49 30.48 ? 17 A 1 -ATOM 438 C CD B ARG A1 1 27 ? 11.31 22.699 -28.66 0.51 29.86 ? 17 A 1 -ATOM 439 N NE A ARG A1 1 27 ? 10.367 21.753 -29.392 0.49 40.81 ? 17 A 1 -ATOM 440 N NE B ARG A1 1 27 ? 10.668 24.012 -28.511 0.51 40.51 ? 17 A 1 -ATOM 441 C CZ A ARG A1 1 27 ? 9.056 21.753 -29.202 0.49 27.42 ? 17 A 1 -ATOM 442 C CZ B ARG A1 1 27 ? 9.359 24.232 -28.536 0.51 37.42 ? 17 A 1 -ATOM 443 N NH1 A ARG A1 1 27 ? 8.491 22.589 -28.344 0.49 50.28 ? 17 A 1 -ATOM 444 N NH1 B ARG A1 1 27 ? 8.51 23.234 -28.701 0.51 28.71 ? 17 A 1 -ATOM 445 N NH2 A ARG A1 1 27 ? 8.291 20.919 -29.895 0.49 50.98 ? 17 A 1 -ATOM 446 N NH2 B ARG A1 1 27 ? 8.888 25.461 -28.386 0.51 51.63 ? 17 A 1 -ATOM 447 H H A ARG A1 1 27 ? 12.862 24.263 -24.464 0.49 37.9 ? 17 A 1 -ATOM 448 H H B ARG A1 1 27 ? 12.865 24.26 -24.468 0.51 37.9 ? 17 A 1 -ATOM 449 H HA A ARG A1 1 27 ? 11.336 22.193 -24.6 0.49 33.17 ? 17 A 1 -ATOM 450 H HA B ARG A1 1 27 ? 11.337 22.183 -24.566 0.51 35.38 ? 17 A 1 -ATOM 451 H HB2 A ARG A1 1 27 ? 11.465 23.761 -26.319 0.49 40.64 ? 17 A 1 -ATOM 452 H HB2 B ARG A1 1 27 ? 11.422 23.744 -26.283 0.51 33.76 ? 17 A 1 -ATOM 453 H HB3 A ARG A1 1 27 ? 12.941 23.277 -26.656 0.49 40.64 ? 17 A 1 -ATOM 454 H HB3 B ARG A1 1 27 ? 12.886 23.253 -26.659 0.51 33.76 ? 17 A 1 -ATOM 455 H HG2 A ARG A1 1 27 ? 12.151 21.279 -27.393 0.49 42.39 ? 17 A 1 -ATOM 456 H HG2 B ARG A1 1 27 ? 12.027 21.245 -27.398 0.51 40.69 ? 17 A 1 -ATOM 457 H HG3 A ARG A1 1 27 ? 10.673 21.682 -26.973 0.49 42.39 ? 17 A 1 -ATOM 458 H HG3 B ARG A1 1 27 ? 10.562 21.726 -27.012 0.51 40.69 ? 17 A 1 -ATOM 459 H HD2 A ARG A1 1 27 ? 10.914 23.502 -28.591 0.49 36.58 ? 17 A 1 -ATOM 460 H HD2 B ARG A1 1 27 ? 12.191 22.828 -29.045 0.51 35.83 ? 17 A 1 -ATOM 461 H HD3 A ARG A1 1 27 ? 12.135 22.659 -29.161 0.49 36.58 ? 17 A 1 -ATOM 462 H HD3 B ARG A1 1 27 ? 10.767 22.154 -29.25 0.51 35.83 ? 17 A 1 -ATOM 463 H HE A ARG A1 1 27 ? 10.689 21.212 -29.977 0.49 48.98 ? 17 A 1 -ATOM 464 H HE B ARG A1 1 27 ? 11.181 24.693 -28.398 0.51 48.61 ? 17 A 1 -ATOM 465 H HH11 A ARG A1 1 27 ? 8.977 23.144 -27.901 0.49 60.33 ? 17 A 1 -ATOM 466 H HH11 B ARG A1 1 27 ? 8.803 22.431 -28.793 0.51 34.45 ? 17 A 1 -ATOM 467 H HH12 A ARG A1 1 27 ? 7.639 22.578 -28.231 0.49 60.33 ? 17 A 1 -ATOM 468 H HH12 B ARG A1 1 27 ? 7.664 23.387 -28.716 0.51 34.45 ? 17 A 1 -ATOM 469 H HH21 A ARG A1 1 27 ? 8.646 20.382 -30.465 0.49 61.18 ? 17 A 1 -ATOM 470 H HH21 B ARG A1 1 27 ? 9.43 26.119 -28.272 0.51 61.96 ? 17 A 1 -ATOM 471 H HH22 A ARG A1 1 27 ? 7.439 20.916 -29.774 0.49 61.18 ? 17 A 1 -ATOM 472 H HH22 B ARG A1 1 27 ? 8.039 25.601 -28.403 0.51 61.96 ? 17 A 1 -ATOM 473 N N . GLU A1 1 28 ? 14.423 21.394 -24.97 1.0 25.58 ? 18 A 1 -ATOM 474 C CA . GLU A1 1 28 ? 15.316 20.246 -24.962 1.0 23.71 ? 18 A 1 -ATOM 475 C C . GLU A1 1 28 ? 15.21 19.458 -23.658 1.0 24.71 ? 18 A 1 -ATOM 476 O O . GLU A1 1 28 ? 15.336 18.228 -23.664 1.0 23.24 ? 18 A 1 -ATOM 477 C CB . GLU A1 1 28 ? 16.765 20.74 -25.202 1.0 31.32 ? 18 A 1 -ATOM 478 C CG . GLU A1 1 28 ? 17.836 20.084 -24.469 1.0 43.13 ? 18 A 1 -ATOM 479 C CD . GLU A1 1 28 ? 19.199 20.645 -24.833 1.0 91.85 ? 18 A 1 -ATOM 480 O OE1 . GLU A1 1 28 ? 19.575 20.56 -26.019 1.0 50.29 ? 18 A 1 -ATOM 481 O OE2 . GLU A1 1 28 ? 19.878 21.202 -23.944 1.0 38.35 ? 18 A 1 -ATOM 482 H H . GLU A1 1 28 ? 14.817 22.156 -25.02 1.0 30.69 ? 18 A 1 -ATOM 483 H HA . GLU A1 1 28 ? 15.072 19.638 -25.677 1.0 28.45 ? 18 A 1 -ATOM 484 H HB2 . GLU A1 1 28 ? 16.963 20.628 -26.145 1.0 37.58 ? 18 A 1 -ATOM 485 H HB3 . GLU A1 1 28 ? 16.8 21.68 -24.965 1.0 37.58 ? 18 A 1 -ATOM 486 H HG2 . GLU A1 1 28 ? 17.698 20.215 -23.518 1.0 51.75 ? 18 A 1 -ATOM 487 H HG3 . GLU A1 1 28 ? 17.832 19.137 -24.678 1.0 51.75 ? 18 A 1 -ATOM 488 N N . VAL A1 1 29 ? 15.029 20.147 -22.542 1.0 23.29 ? 19 A 1 -ATOM 489 C CA . VAL A1 1 29 ? 14.929 19.465 -21.259 1.0 20.86 ? 19 A 1 -ATOM 490 C C . VAL A1 1 29 ? 13.63 18.67 -21.21 1.0 21.02 ? 19 A 1 -ATOM 491 O O . VAL A1 1 29 ? 13.625 17.52 -20.758 1.0 20.8 ? 19 A 1 -ATOM 492 C CB . VAL A1 1 29 ? 14.993 20.484 -20.108 1.0 25.38 ? 19 A 1 -ATOM 493 C CG1 . VAL A1 1 29 ? 14.536 19.872 -18.786 1.0 27.16 ? 19 A 1 -ATOM 494 C CG2 . VAL A1 1 29 ? 16.42 21.008 -19.937 1.0 29.05 ? 19 A 1 -ATOM 495 H H . VAL A1 1 29 ? 14.962 21.003 -22.498 1.0 27.95 ? 19 A 1 -ATOM 496 H HA . VAL A1 1 29 ? 15.678 18.856 -21.164 1.0 25.03 ? 19 A 1 -ATOM 497 H HB . VAL A1 1 29 ? 14.397 21.215 -20.335 1.0 30.46 ? 19 A 1 -ATOM 498 H HG11 . VAL A1 1 29 ? 14.836 20.436 -18.057 1.0 32.59 ? 19 A 1 -ATOM 499 H HG12 . VAL A1 1 29 ? 13.567 19.815 -18.783 1.0 32.59 ? 19 A 1 -ATOM 500 H HG13 . VAL A1 1 29 ? 14.92 18.985 -18.699 1.0 32.59 ? 19 A 1 -ATOM 501 H HG21 . VAL A1 1 29 ? 16.417 21.724 -19.283 1.0 34.86 ? 19 A 1 -ATOM 502 H HG22 . VAL A1 1 29 ? 16.988 20.283 -19.631 1.0 34.86 ? 19 A 1 -ATOM 503 H HG23 . VAL A1 1 29 ? 16.739 21.34 -20.79 1.0 34.86 ? 19 A 1 -ATOM 504 N N . LEU A1 1 30 ? 12.518 19.275 -21.626 1.0 20.54 ? 20 A 1 -ATOM 505 C CA . LEU A1 1 30 ? 11.23 18.564 -21.591 1.0 18.48 ? 20 A 1 -ATOM 506 C C . LEU A1 1 30 ? 11.252 17.389 -22.535 1.0 20.92 ? 20 A 1 -ATOM 507 O O . LEU A1 1 30 ? 10.788 16.299 -22.191 1.0 20.51 ? 20 A 1 -ATOM 508 C CB . LEU A1 1 30 ? 10.074 19.497 -21.916 1.0 21.21 ? 20 A 1 -ATOM 509 C CG . LEU A1 1 30 ? 9.919 20.644 -20.896 1.0 22.17 ? 20 A 1 -ATOM 510 C CD1 . LEU A1 1 30 ? 8.867 21.616 -21.385 1.0 25.03 ? 20 A 1 -ATOM 511 C CD2 . LEU A1 1 30 ? 9.601 20.17 -19.521 1.0 21.75 ? 20 A 1 -ATOM 512 H H . LEU A1 1 30 ? 12.476 20.079 -21.927 1.0 24.65 ? 20 A 1 -ATOM 513 H HA . LEU A1 1 30 ? 11.081 18.239 -20.689 1.0 22.17 ? 20 A 1 -ATOM 514 H HB2 . LEU A1 1 30 ? 10.224 19.891 -22.789 1.0 25.45 ? 20 A 1 -ATOM 515 H HB3 . LEU A1 1 30 ? 9.249 18.986 -21.92 1.0 25.45 ? 20 A 1 -ATOM 516 H HG . LEU A1 1 30 ? 10.774 21.096 -20.826 1.0 26.61 ? 20 A 1 -ATOM 517 H HD11 . LEU A1 1 30 ? 8.789 22.343 -20.748 1.0 30.04 ? 20 A 1 -ATOM 518 H HD12 . LEU A1 1 30 ? 9.135 21.962 -22.251 1.0 30.04 ? 20 A 1 -ATOM 519 H HD13 . LEU A1 1 30 ? 8.019 21.152 -21.462 1.0 30.04 ? 20 A 1 -ATOM 520 H HD21 . LEU A1 1 30 ? 9.372 20.934 -18.969 1.0 26.1 ? 20 A 1 -ATOM 521 H HD22 . LEU A1 1 30 ? 8.851 19.557 -19.564 1.0 26.1 ? 20 A 1 -ATOM 522 H HD23 . LEU A1 1 30 ? 10.377 19.718 -19.156 1.0 26.1 ? 20 A 1 -ATOM 523 N N . LYS A1 1 31 ? 11.822 17.568 -23.741 1.0 20.08 ? 21 A 1 -ATOM 524 C CA . LYS A1 1 31 ? 11.891 16.469 -24.697 1.0 22.75 ? 21 A 1 -ATOM 525 C C . LYS A1 1 31 ? 12.703 15.321 -24.114 1.0 20.73 ? 21 A 1 -ATOM 526 O O . LYS A1 1 31 ? 12.33 14.153 -24.259 1.0 21.91 ? 21 A 1 -ATOM 527 C CB . LYS A1 1 31 ? 12.492 16.945 -26.007 1.0 24.5 ? 21 A 1 -ATOM 528 C CG . LYS A1 1 31 ? 12.534 15.815 -27.054 1.0 24.43 ? 21 A 1 -ATOM 529 C CD . LYS A1 1 31 ? 12.945 16.317 -28.405 1.0 29.93 ? 21 A 1 -ATOM 530 C CE . LYS A1 1 31 ? 12.823 15.211 -29.456 1.0 39.81 ? 21 A 1 -ATOM 531 N NZ . LYS A1 1 31 ? 13.085 15.723 -30.824 1.0 67.35 ? 21 A 1 -ATOM 532 H H . LYS A1 1 31 ? 12.167 18.305 -24.018 1.0 24.09 ? 21 A 1 -ATOM 533 H HA . LYS A1 1 31 ? 10.995 16.151 -24.89 1.0 27.3 ? 21 A 1 -ATOM 534 H HB2 . LYS A1 1 31 ? 11.954 17.671 -26.361 1.0 29.41 ? 21 A 1 -ATOM 535 H HB3 . LYS A1 1 31 ? 13.4 17.251 -25.85 1.0 29.41 ? 21 A 1 -ATOM 536 H HG2 . LYS A1 1 31 ? 13.175 15.143 -26.773 1.0 29.31 ? 21 A 1 -ATOM 537 H HG3 . LYS A1 1 31 ? 11.652 15.42 -27.133 1.0 29.31 ? 21 A 1 -ATOM 538 H HD2 . LYS A1 1 31 ? 12.369 17.053 -28.665 1.0 35.92 ? 21 A 1 -ATOM 539 H HD3 . LYS A1 1 31 ? 13.868 16.612 -28.374 1.0 35.92 ? 21 A 1 -ATOM 540 H HE2 . LYS A1 1 31 ? 13.47 14.513 -29.264 1.0 47.77 ? 21 A 1 -ATOM 541 H HE3 . LYS A1 1 31 ? 11.925 14.845 -29.435 1.0 47.77 ? 21 A 1 -ATOM 542 H HZ1 . LYS A1 1 31 ? 13.907 16.061 -30.87 1.0 80.82 ? 21 A 1 -ATOM 543 H HZ2 . LYS A1 1 31 ? 13.011 15.062 -31.416 1.0 80.82 ? 21 A 1 -ATOM 544 H HZ3 . LYS A1 1 31 ? 12.498 16.36 -31.028 1.0 80.82 ? 21 A 1 -ATOM 545 N N . GLU A1 1 32 ? 13.846 15.627 -23.534 1.0 22.47 ? 22 A 1 -ATOM 546 C CA . GLU A1 1 32 ? 14.656 14.555 -22.993 1.0 21.67 ? 22 A 1 -ATOM 547 C C . GLU A1 1 32 ? 13.976 13.863 -21.827 1.0 23.52 ? 22 A 1 -ATOM 548 O O . GLU A1 1 32 ? 14.02 12.625 -21.727 1.0 22.53 ? 22 A 1 -ATOM 549 C CB . GLU A1 1 32 ? 16.036 15.092 -22.632 1.0 25.44 ? 22 A 1 -ATOM 550 C CG . GLU A1 1 32 ? 17.048 14.007 -22.224 1.0 41.87 ? 22 A 1 -ATOM 551 C CD . GLU A1 1 32 ? 17.422 13.041 -23.35 1.0 55.28 ? 22 A 1 -ATOM 552 O OE1 . GLU A1 1 32 ? 17.113 13.313 -24.532 1.0 43.92 ? 22 A 1 -ATOM 553 O OE2 . GLU A1 1 32 ? 18.03 11.993 -23.047 1.0 55.49 ? 22 A 1 -ATOM 554 H H . GLU A1 1 32 ? 14.166 16.42 -23.442 1.0 26.96 ? 22 A 1 -ATOM 555 H HA . GLU A1 1 32 ? 14.782 13.872 -23.671 1.0 26.0 ? 22 A 1 -ATOM 556 H HB2 . GLU A1 1 32 ? 16.399 15.558 -23.401 1.0 30.53 ? 22 A 1 -ATOM 557 H HB3 . GLU A1 1 32 ? 15.945 15.704 -21.885 1.0 30.53 ? 22 A 1 -ATOM 558 H HG2 . GLU A1 1 32 ? 17.864 14.439 -21.926 1.0 50.25 ? 22 A 1 -ATOM 559 H HG3 . GLU A1 1 32 ? 16.668 13.483 -21.502 1.0 50.25 ? 22 A 1 -ATOM 560 N N . ALA A1 1 33 ? 13.316 14.619 -20.952 1.0 21.62 ? 23 A 1 -ATOM 561 C CA . ALA A1 1 33 ? 12.579 13.96 -19.868 1.0 20.66 ? 23 A 1 -ATOM 562 C C . ALA A1 1 33 ? 11.541 13.001 -20.415 1.0 20.32 ? 23 A 1 -ATOM 563 O O . ALA A1 1 33 ? 11.352 11.9 -19.872 1.0 20.89 ? 23 A 1 -ATOM 564 C CB . ALA A1 1 33 ? 11.913 15.015 -18.992 1.0 20.29 ? 23 A 1 -ATOM 565 H H . ALA A1 1 33 ? 13.279 15.478 -20.959 1.0 25.94 ? 23 A 1 -ATOM 566 H HA . ALA A1 1 33 ? 13.201 13.452 -19.324 1.0 24.8 ? 23 A 1 -ATOM 567 H HB1 . ALA A1 1 33 ? 11.439 14.573 -18.271 1.0 24.34 ? 23 A 1 -ATOM 568 H HB2 . ALA A1 1 33 ? 12.596 15.601 -18.629 1.0 24.34 ? 23 A 1 -ATOM 569 H HB3 . ALA A1 1 33 ? 11.291 15.528 -19.532 1.0 24.34 ? 23 A 1 -ATOM 570 N N . LEU A1 1 34 ? 10.823 13.385 -21.472 1.0 19.65 ? 24 A 1 -ATOM 571 C CA . LEU A1 1 34 ? 9.819 12.504 -22.027 1.0 19.87 ? 24 A 1 -ATOM 572 C C . LEU A1 1 34 ? 10.444 11.334 -22.764 1.0 23.35 ? 24 A 1 -ATOM 573 O O . LEU A1 1 34 ? 9.808 10.279 -22.85 1.0 30.44 ? 24 A 1 -ATOM 574 C CB . LEU A1 1 34 ? 8.904 13.267 -22.973 1.0 20.15 ? 24 A 1 -ATOM 575 C CG . LEU A1 1 34 ? 7.957 14.222 -22.258 1.0 19.98 ? 24 A 1 -ATOM 576 C CD1 . LEU A1 1 34 ? 7.296 15.094 -23.31 1.0 20.6 ? 24 A 1 -ATOM 577 C CD2 . LEU A1 1 34 ? 6.885 13.497 -21.458 1.0 20.32 ? 24 A 1 -ATOM 578 H H . LEU A1 1 34 ? 10.902 14.141 -21.874 1.0 23.58 ? 24 A 1 -ATOM 579 H HA . LEU A1 1 34 ? 9.274 12.159 -21.302 1.0 23.84 ? 24 A 1 -ATOM 580 H HB2 . LEU A1 1 34 ? 9.449 13.788 -23.583 1.0 24.18 ? 24 A 1 -ATOM 581 H HB3 . LEU A1 1 34 ? 8.366 12.63 -23.469 1.0 24.18 ? 24 A 1 -ATOM 582 H HG . LEU A1 1 34 ? 8.464 14.752 -21.624 1.0 23.98 ? 24 A 1 -ATOM 583 H HD11 . LEU A1 1 34 ? 6.679 15.702 -22.874 1.0 24.72 ? 24 A 1 -ATOM 584 H HD12 . LEU A1 1 34 ? 7.981 15.597 -23.779 1.0 24.72 ? 24 A 1 -ATOM 585 H HD13 . LEU A1 1 34 ? 6.817 14.527 -23.934 1.0 24.72 ? 24 A 1 -ATOM 586 H HD21 . LEU A1 1 34 ? 6.247 14.147 -21.123 1.0 24.38 ? 24 A 1 -ATOM 587 H HD22 . LEU A1 1 34 ? 6.437 12.859 -22.035 1.0 24.38 ? 24 A 1 -ATOM 588 H HD23 . LEU A1 1 34 ? 7.304 13.033 -20.716 1.0 24.38 ? 24 A 1 -ATOM 589 N N . SER A1 1 35 ? 11.673 11.482 -23.239 1.0 21.38 ? 25 A 1 -ATOM 590 C CA . SER A1 1 35 ? 12.267 10.472 -24.104 1.0 24.3 ? 25 A 1 -ATOM 591 C C . SER A1 1 35 ? 13.031 9.396 -23.341 1.0 26.21 ? 25 A 1 -ATOM 592 O O . SER A1 1 35 ? 13.146 8.265 -23.842 1.0 27.79 ? 25 A 1 -ATOM 593 C CB . SER A1 1 35 ? 13.242 11.171 -25.046 1.0 24.27 ? 25 A 1 -ATOM 594 O OG . SER A1 1 35 ? 12.503 12.033 -25.919 1.0 27.22 ? 25 A 1 -ATOM 595 H H . SER A1 1 35 ? 12.182 12.156 -23.076 1.0 25.65 ? 25 A 1 -ATOM 596 H HA . SER A1 1 35 ? 11.566 10.031 -24.608 1.0 29.16 ? 25 A 1 -ATOM 597 H HB2 . SER A1 1 35 ? 13.872 11.697 -24.528 1.0 29.12 ? 25 A 1 -ATOM 598 H HB3 . SER A1 1 35 ? 13.717 10.507 -25.571 1.0 29.12 ? 25 A 1 -ATOM 599 H HG . SER A1 1 35 ? 12.079 12.602 -25.47 1.0 32.66 ? 25 A 1 -ATOM 600 N N . ILE A1 1 36 ? 13.557 9.721 -22.157 1.0 23.3 ? 26 A 1 -ATOM 601 C CA . ILE A1 1 36 ? 14.34 8.76 -21.369 1.0 22.3 ? 26 A 1 -ATOM 602 C C . ILE A1 1 36 ? 13.437 7.616 -20.956 1.0 23.52 ? 26 A 1 -ATOM 603 O O . ILE A1 1 36 ? 12.35 7.834 -20.39 1.0 26.66 ? 26 A 1 -ATOM 604 C CB . ILE A1 1 36 ? 14.943 9.47 -20.155 1.0 22.82 ? 26 A 1 -ATOM 605 C CG1 . ILE A1 1 36 ? 16.013 10.435 -20.584 1.0 23.34 ? 26 A 1 -ATOM 606 C CG2 . ILE A1 1 36 ? 15.45 8.441 -19.128 1.0 26.19 ? 26 A 1 -ATOM 607 C CD1 . ILE A1 1 36 ? 16.522 11.393 -19.509 1.0 31.36 ? 26 A 1 -ATOM 608 H H . ILE A1 1 36 ? 13.476 10.492 -21.785 1.0 27.96 ? 26 A 1 -ATOM 609 H HA . ILE A1 1 36 ? 15.063 8.399 -21.906 1.0 26.76 ? 26 A 1 -ATOM 610 H HB . ILE A1 1 36 ? 14.252 9.993 -19.719 1.0 27.39 ? 26 A 1 -ATOM 611 H HG12 . ILE A1 1 36 ? 16.775 9.922 -20.895 1.0 28.01 ? 26 A 1 -ATOM 612 H HG13 . ILE A1 1 36 ? 15.66 10.977 -21.307 1.0 28.01 ? 26 A 1 -ATOM 613 H HG21 . ILE A1 1 36 ? 16.052 8.882 -18.509 1.0 31.43 ? 26 A 1 -ATOM 614 H HG22 . ILE A1 1 36 ? 14.691 8.074 -18.648 1.0 31.43 ? 26 A 1 -ATOM 615 H HG23 . ILE A1 1 36 ? 15.919 7.732 -19.597 1.0 31.43 ? 26 A 1 -ATOM 616 H HD11 . ILE A1 1 36 ? 17.164 12.001 -19.907 1.0 37.63 ? 26 A 1 -ATOM 617 H HD12 . ILE A1 1 36 ? 15.772 11.892 -19.15 1.0 37.63 ? 26 A 1 -ATOM 618 H HD13 . ILE A1 1 36 ? 16.946 10.88 -18.803 1.0 37.63 ? 26 A 1 -ATOM 619 N N A ASN A1 1 37 ? 13.88 6.367 -21.136 0.48 19.63 ? 27 A 1 -ATOM 620 N N B ASN A1 1 37 ? 13.864 6.4 -21.264 0.52 25.48 ? 27 A 1 -ATOM 621 C CA A ASN A1 1 37 ? 13.048 5.191 -20.839 0.48 28.91 ? 27 A 1 -ATOM 622 C CA B ASN A1 1 37 ? 13.17 5.184 -20.883 0.52 18.22 ? 27 A 1 -ATOM 623 C C A ASN A1 1 37 ? 13.487 4.391 -19.593 0.48 20.77 ? 27 A 1 -ATOM 624 C C B ASN A1 1 37 ? 14.046 4.453 -19.867 0.52 21.31 ? 27 A 1 -ATOM 625 O O A ASN A1 1 37 ? 13.165 3.22 -19.444 0.48 31.28 ? 27 A 1 -ATOM 626 O O B ASN A1 1 37 ? 14.678 3.445 -20.169 0.52 23.33 ? 27 A 1 -ATOM 627 C CB A ASN A1 1 37 ? 12.936 4.27 -22.058 0.48 29.13 ? 27 A 1 -ATOM 628 C CB B ASN A1 1 37 ? 12.89 4.307 -22.124 0.52 29.3 ? 27 A 1 -ATOM 629 C CG A ASN A1 1 37 ? 11.99 4.808 -23.112 0.48 33.75 ? 27 A 1 -ATOM 630 C CG B ASN A1 1 37 ? 11.789 3.263 -21.893 0.52 38.43 ? 27 A 1 -ATOM 631 O OD1 A ASN A1 1 37 ? 11.018 5.502 -22.802 0.48 67.44 ? 27 A 1 -ATOM 632 O OD1 B ASN A1 1 37 ? 11.227 3.135 -20.802 0.52 30.82 ? 27 A 1 -ATOM 633 N ND2 A ASN A1 1 37 ? 12.276 4.496 -24.369 0.48 38.3 ? 27 A 1 -ATOM 634 N ND2 B ASN A1 1 37 ? 11.466 2.521 -22.944 0.52 32.91 ? 27 A 1 -ATOM 635 H H A ASN A1 1 37 ? 14.664 6.173 -21.431 0.48 23.55 ? 27 A 1 -ATOM 636 H H B ASN A1 1 37 ? 14.582 6.25 -21.712 0.52 30.57 ? 27 A 1 -ATOM 637 H HA A ASN A1 1 37 ? 12.164 5.533 -20.633 0.48 34.69 ? 27 A 1 -ATOM 638 H HA B ASN A1 1 37 ? 12.316 5.403 -20.479 0.52 21.86 ? 27 A 1 -ATOM 639 H HB2 A ASN A1 1 37 ? 13.812 4.173 -22.462 0.48 34.95 ? 27 A 1 -ATOM 640 H HB2 B ASN A1 1 37 ? 12.609 4.879 -22.855 0.52 35.16 ? 27 A 1 -ATOM 641 H HB3 A ASN A1 1 37 ? 12.605 3.405 -21.771 0.48 34.95 ? 27 A 1 -ATOM 642 H HB3 B ASN A1 1 37 ? 13.702 3.834 -22.365 0.52 35.16 ? 27 A 1 -ATOM 643 H HD21 A ASN A1 1 37 ? 11.772 4.775 -25.007 0.48 45.96 ? 27 A 1 -ATOM 644 H HD21 B ASN A1 1 37 ? 10.855 1.919 -22.875 0.52 39.49 ? 27 A 1 -ATOM 645 H HD22 A ASN A1 1 37 ? 12.966 4.014 -24.545 0.48 45.96 ? 27 A 1 -ATOM 646 H HD22 B ASN A1 1 37 ? 11.867 2.642 -23.695 0.52 39.49 ? 27 A 1 -ATOM 647 N N . ASP A1 1 38 ? 14.155 5.037 -18.671 1.0 29.93 ? 28 A 1 -ATOM 648 C CA . ASP A1 1 38 ? 14.851 4.398 -17.548 1.0 24.65 ? 28 A 1 -ATOM 649 C C . ASP A1 1 38 ? 13.926 4.458 -16.342 1.0 21.1 ? 28 A 1 -ATOM 650 O O . ASP A1 1 38 ? 13.482 5.546 -15.971 1.0 24.99 ? 28 A 1 -ATOM 651 C CB . ASP A1 1 38 ? 16.175 5.136 -17.341 1.0 24.97 ? 28 A 1 -ATOM 652 C CG . ASP A1 1 38 ? 17.068 4.497 -16.283 1.0 25.15 ? 28 A 1 -ATOM 653 O OD1 . ASP A1 1 38 ? 16.679 4.641 -15.085 1.0 27.41 ? 28 A 1 -ATOM 654 O OD2 . ASP A1 1 38 ? 18.143 3.927 -16.61 1.0 28.08 ? 28 A 1 -ATOM 655 H H A ASP A1 1 38 ? 14.232 5.894 -18.66 0.48 35.92 ? 28 A 1 -ATOM 656 H H B ASP A1 1 38 ? 13.83 5.812 -18.483 0.52 35.92 ? 28 A 1 -ATOM 657 H HA . ASP A1 1 38 ? 15.046 3.459 -17.695 1.0 29.58 ? 28 A 1 -ATOM 658 H HB2 . ASP A1 1 38 ? 16.665 5.141 -18.178 1.0 29.96 ? 28 A 1 -ATOM 659 H HB3 . ASP A1 1 38 ? 15.987 6.045 -17.061 1.0 29.96 ? 28 A 1 -ATOM 660 N N . ARG A1 1 39 ? 13.606 3.296 -15.777 1.0 25.33 ? 29 A 1 -ATOM 661 C CA . ARG A1 1 39 ? 12.703 3.173 -14.627 1.0 29.67 ? 29 A 1 -ATOM 662 C C . ARG A1 1 39 ? 13.128 4.074 -13.466 1.0 21.98 ? 29 A 1 -ATOM 663 O O . ARG A1 1 39 ? 12.301 4.684 -12.789 1.0 21.96 ? 29 A 1 -ATOM 664 C CB . ARG A1 1 39 ? 12.705 1.697 -14.158 1.0 31.35 ? 29 A 1 -ATOM 665 C CG . ARG A1 1 39 ? 11.356 1.081 -13.919 1.0 78.29 ? 29 A 1 -ATOM 666 C CD . ARG A1 1 39 ? 11.266 -0.394 -14.382 1.0 90.52 ? 29 A 1 -ATOM 667 N NE . ARG A1 1 39 ? 12.447 -1.225 -14.099 1.0 47.15 ? 29 A 1 -ATOM 668 C CZ . ARG A1 1 39 ? 13.093 -1.963 -15.009 1.0 57.27 ? 29 A 1 -ATOM 669 N NH1 . ARG A1 1 39 ? 14.149 -2.705 -14.665 1.0 53.54 ? 29 A 1 -ATOM 670 N NH2 . ARG A1 1 39 ? 12.677 -1.996 -16.262 1.0 51.03 ? 29 A 1 -ATOM 671 H H . ARG A1 1 39 ? 13.905 2.536 -16.046 1.0 30.4 ? 29 A 1 -ATOM 672 H HA . ARG A1 1 39 ? 11.81 3.438 -14.896 1.0 35.6 ? 29 A 1 -ATOM 673 H HB2 . ARG A1 1 39 ? 13.148 1.163 -14.837 1.0 37.62 ? 29 A 1 -ATOM 674 H HB3 . ARG A1 1 39 ? 13.196 1.644 -13.323 1.0 37.62 ? 29 A 1 -ATOM 675 H HG2 . ARG A1 1 39 ? 11.162 1.107 -12.969 1.0 93.95 ? 29 A 1 -ATOM 676 H HG3 . ARG A1 1 39 ? 10.688 1.588 -14.408 1.0 93.95 ? 29 A 1 -ATOM 677 H HD2 . ARG A1 1 39 ? 10.51 -0.807 -13.936 1.0 108.63 ? 29 A 1 -ATOM 678 H HD3 . ARG A1 1 39 ? 11.131 -0.404 -15.342 1.0 108.63 ? 29 A 1 -ATOM 679 H HE . ARG A1 1 39 ? 12.743 -1.238 -13.291 1.0 56.58 ? 29 A 1 -ATOM 680 H HH11 . ARG A1 1 39 ? 14.422 -2.712 -13.849 1.0 64.25 ? 29 A 1 -ATOM 681 H HH12 . ARG A1 1 39 ? 14.556 -3.175 -15.258 1.0 64.25 ? 29 A 1 -ATOM 682 H HH21 . ARG A1 1 39 ? 11.987 -1.541 -16.498 1.0 61.24 ? 29 A 1 -ATOM 683 H HH22 . ARG A1 1 39 ? 13.097 -2.472 -16.842 1.0 61.24 ? 29 A 1 -ATOM 684 N N . GLY A1 1 40 ? 14.437 4.185 -13.226 1.0 24.21 ? 30 A 1 -ATOM 685 C CA . GLY A1 1 40 ? 14.889 5.005 -12.107 1.0 23.32 ? 30 A 1 -ATOM 686 C C . GLY A1 1 40 ? 14.827 6.495 -12.359 1.0 21.31 ? 30 A 1 -ATOM 687 O O . GLY A1 1 40 ? 14.447 7.262 -11.455 1.0 22.83 ? 30 A 1 -ATOM 688 H H . GLY A1 1 40 ? 15.061 3.809 -13.682 1.0 29.05 ? 30 A 1 -ATOM 689 H HA2 . GLY A1 1 40 ? 14.336 4.81 -11.334 1.0 27.98 ? 30 A 1 -ATOM 690 H HA3 . GLY A1 1 40 ? 15.809 4.775 -11.903 1.0 27.98 ? 30 A 1 -ATOM 691 N N . PHE A1 1 41 ? 15.061 6.948 -13.602 1.0 19.68 ? 31 A 1 -ATOM 692 C CA . PHE A1 1 41 ? 14.808 8.325 -13.925 1.0 18.52 ? 31 A 1 -ATOM 693 C C . PHE A1 1 41 ? 13.327 8.62 -13.743 1.0 20.45 ? 31 A 1 -ATOM 694 O O . PHE A1 1 41 ? 12.938 9.642 -13.173 1.0 18.84 ? 31 A 1 -ATOM 695 C CB . PHE A1 1 41 ? 15.208 8.64 -15.376 1.0 19.78 ? 31 A 1 -ATOM 696 C CG . PHE A1 1 41 ? 14.752 9.986 -15.814 1.0 19.17 ? 31 A 1 -ATOM 697 C CD1 . PHE A1 1 41 ? 15.511 11.127 -15.489 1.0 20.65 ? 31 A 1 -ATOM 698 C CD2 . PHE A1 1 41 ? 13.553 10.178 -16.488 1.0 19.94 ? 31 A 1 -ATOM 699 C CE1 . PHE A1 1 41 ? 15.062 12.356 -15.823 1.0 22.07 ? 31 A 1 -ATOM 700 C CE2 . PHE A1 1 41 ? 13.118 11.444 -16.862 1.0 19.97 ? 31 A 1 -ATOM 701 C CZ . PHE A1 1 41 ? 13.86 12.531 -16.507 1.0 21.88 ? 31 A 1 -ATOM 702 H H . PHE A1 1 41 ? 15.36 6.472 -14.253 1.0 23.62 ? 31 A 1 -ATOM 703 H HA . PHE A1 1 41 ? 15.345 8.884 -13.342 1.0 22.22 ? 31 A 1 -ATOM 704 H HB2 . PHE A1 1 41 ? 16.175 8.61 -15.451 1.0 23.73 ? 31 A 1 -ATOM 705 H HB3 . PHE A1 1 41 ? 14.81 7.98 -15.964 1.0 23.73 ? 31 A 1 -ATOM 706 H HD1 . PHE A1 1 41 ? 16.322 11.034 -15.044 1.0 24.78 ? 31 A 1 -ATOM 707 H HD2 . PHE A1 1 41 ? 13.028 9.44 -16.696 1.0 23.92 ? 31 A 1 -ATOM 708 H HE1 . PHE A1 1 41 ? 15.566 13.103 -15.592 1.0 26.49 ? 31 A 1 -ATOM 709 H HE2 . PHE A1 1 41 ? 12.332 11.548 -17.348 1.0 23.96 ? 31 A 1 -ATOM 710 H HZ . PHE A1 1 41 ? 13.565 13.387 -16.72 1.0 26.26 ? 31 A 1 -ATOM 711 N N . ASN A1 1 42 ? 12.469 7.753 -14.305 1.0 20.34 ? 32 A 1 -ATOM 712 C CA . ASN A1 1 42 ? 11.019 8.02 -14.231 1.0 17.41 ? 32 A 1 -ATOM 713 C C . ASN A1 1 42 ? 10.556 8.086 -12.782 1.0 17.79 ? 32 A 1 -ATOM 714 O O . ASN A1 1 42 ? 9.747 8.951 -12.429 1.0 18.13 ? 32 A 1 -ATOM 715 C CB . ASN A1 1 42 ? 10.252 6.925 -14.971 1.0 18.49 ? 32 A 1 -ATOM 716 C CG . ASN A1 1 42 ? 10.441 6.964 -16.47 1.0 19.2 ? 32 A 1 -ATOM 717 O OD1 . ASN A1 1 42 ? 10.93 7.922 -17.022 1.0 18.92 ? 32 A 1 -ATOM 718 N ND2 . ASN A1 1 42 ? 10.055 5.899 -17.111 1.0 19.95 ? 32 A 1 -ATOM 719 H H . ASN A1 1 42 ? 12.689 7.032 -14.719 1.0 24.41 ? 32 A 1 -ATOM 720 H HA . ASN A1 1 42 ? 10.831 8.87 -14.659 1.0 20.89 ? 32 A 1 -ATOM 721 H HB2 . ASN A1 1 42 ? 10.559 6.061 -14.656 1.0 22.19 ? 32 A 1 -ATOM 722 H HB3 . ASN A1 1 42 ? 9.305 7.028 -14.788 1.0 22.19 ? 32 A 1 -ATOM 723 H HD21 . ASN A1 1 42 ? 10.136 5.859 -17.967 1.0 23.94 ? 32 A 1 -ATOM 724 H HD22 . ASN A1 1 42 ? 9.72 5.235 -16.679 1.0 23.94 ? 32 A 1 -ATOM 725 N N . GLU A1 1 43 ? 11.053 7.18 -11.949 1.0 18.03 ? 33 A 1 -ATOM 726 C CA . GLU A1 1 43 ? 10.66 7.192 -10.54 1.0 17.08 ? 33 A 1 -ATOM 727 C C . GLU A1 1 43 ? 11.083 8.495 -9.864 1.0 20.17 ? 33 A 1 -ATOM 728 O O . GLU A1 1 43 ? 10.331 9.057 -9.082 1.0 18.96 ? 33 A 1 -ATOM 729 C CB . GLU A1 1 43 ? 11.183 5.942 -9.856 1.0 23.68 ? 33 A 1 -ATOM 730 C CG . GLU A1 1 43 ? 11.056 5.89 -8.367 1.0 55.69 ? 33 A 1 -ATOM 731 C CD . GLU A1 1 43 ? 11.293 4.482 -7.82 1.0 72.22 ? 33 A 1 -ATOM 732 O OE1 . GLU A1 1 43 ? 11.229 3.509 -8.603 1.0 50.7 ? 33 A 1 -ATOM 733 O OE2 . GLU A1 1 43 ? 11.541 4.352 -6.606 1.0 92.3 ? 33 A 1 -ATOM 734 H H . GLU A1 1 43 ? 11.606 6.558 -12.165 1.0 21.63 ? 33 A 1 -ATOM 735 H HA . GLU A1 1 43 ? 9.694 7.158 -10.454 1.0 20.5 ? 33 A 1 -ATOM 736 H HB2 . GLU A1 1 43 ? 10.698 5.18 -10.21 1.0 28.41 ? 33 A 1 -ATOM 737 H HB3 . GLU A1 1 43 ? 12.127 5.858 -10.064 1.0 28.41 ? 33 A 1 -ATOM 738 H HG2 . GLU A1 1 43 ? 11.712 6.484 -7.97 1.0 66.82 ? 33 A 1 -ATOM 739 H HG3 . GLU A1 1 43 ? 10.161 6.167 -8.114 1.0 66.82 ? 33 A 1 -ATOM 740 N N . ALA A1 1 44 ? 12.271 9.001 -10.157 1.0 19.26 ? 34 A 1 -ATOM 741 C CA . ALA A1 1 44 ? 12.705 10.289 -9.616 1.0 20.2 ? 34 A 1 -ATOM 742 C C . ALA A1 1 44 ? 11.85 11.437 -10.119 1.0 18.18 ? 34 A 1 -ATOM 743 O O . ALA A1 1 44 ? 11.529 12.359 -9.358 1.0 19.56 ? 34 A 1 -ATOM 744 C CB . ALA A1 1 44 ? 14.176 10.523 -9.982 1.0 21.17 ? 34 A 1 -ATOM 745 H H . ALA A1 1 44 ? 12.85 8.623 -10.668 1.0 23.11 ? 34 A 1 -ATOM 746 H HA . ALA A1 1 44 ? 12.618 10.265 -8.65 1.0 24.24 ? 34 A 1 -ATOM 747 H HB1 . ALA A1 1 44 ? 14.457 11.381 -9.628 1.0 25.41 ? 34 A 1 -ATOM 748 H HB2 . ALA A1 1 44 ? 14.714 9.813 -9.596 1.0 25.41 ? 34 A 1 -ATOM 749 H HB3 . ALA A1 1 44 ? 14.265 10.518 -10.948 1.0 25.41 ? 34 A 1 -ATOM 750 N N . LEU A1 1 45 ? 11.454 11.407 -11.398 1.0 16.86 ? 35 A 1 -ATOM 751 C CA . LEU A1 1 45 ? 10.543 12.41 -11.93 1.0 16.72 ? 35 A 1 -ATOM 752 C C . LEU A1 1 45 ? 9.192 12.367 -11.207 1.0 16.31 ? 35 A 1 -ATOM 753 O O . LEU A1 1 45 ? 8.649 13.413 -10.845 1.0 16.63 ? 35 A 1 -ATOM 754 C CB . LEU A1 1 45 ? 10.353 12.17 -13.43 1.0 16.41 ? 35 A 1 -ATOM 755 C CG . LEU A1 1 45 ? 9.379 13.074 -14.141 1.0 16.77 ? 35 A 1 -ATOM 756 C CD1 . LEU A1 1 45 ? 9.919 14.524 -14.192 1.0 21.67 ? 35 A 1 -ATOM 757 C CD2 . LEU A1 1 45 ? 9.043 12.585 -15.557 1.0 19.98 ? 35 A 1 -ATOM 758 H H . LEU A1 1 45 ? 11.7 10.816 -11.972 1.0 20.24 ? 35 A 1 -ATOM 759 H HA . LEU A1 1 45 ? 10.925 13.292 -11.798 1.0 20.06 ? 35 A 1 -ATOM 760 H HB2 . LEU A1 1 45 ? 11.214 12.282 -13.863 1.0 19.7 ? 35 A 1 -ATOM 761 H HB3 . LEU A1 1 45 ? 10.037 11.261 -13.551 1.0 19.7 ? 35 A 1 -ATOM 762 H HG . LEU A1 1 45 ? 8.552 13.062 -13.635 1.0 20.12 ? 35 A 1 -ATOM 763 H HD11 . LEU A1 1 45 ? 9.301 15.073 -14.698 1.0 26.01 ? 35 A 1 -ATOM 764 H HD12 . LEU A1 1 45 ? 9.999 14.863 -13.286 1.0 26.01 ? 35 A 1 -ATOM 765 H HD13 . LEU A1 1 45 ? 10.789 14.522 -14.622 1.0 26.01 ? 35 A 1 -ATOM 766 H HD21 . LEU A1 1 45 ? 8.405 13.196 -15.959 1.0 23.97 ? 35 A 1 -ATOM 767 H HD22 . LEU A1 1 45 ? 9.856 12.562 -16.085 1.0 23.97 ? 35 A 1 -ATOM 768 H HD23 . LEU A1 1 45 ? 8.659 11.696 -15.501 1.0 23.97 ? 35 A 1 -ATOM 769 N N . PHE A1 1 46 ? 8.647 11.162 -11.008 1.0 15.68 ? 36 A 1 -ATOM 770 C CA . PHE A1 1 46 ? 7.38 11.026 -10.276 1.0 15.06 ? 36 A 1 -ATOM 771 C C . PHE A1 1 46 ? 7.518 11.536 -8.849 1.0 17.02 ? 36 A 1 -ATOM 772 O O . PHE A1 1 46 ? 6.591 12.203 -8.363 1.0 17.67 ? 36 A 1 -ATOM 773 C CB . PHE A1 1 46 ? 6.913 9.573 -10.277 1.0 15.75 ? 36 A 1 -ATOM 774 C CG . PHE A1 1 46 ? 6.705 8.954 -11.645 1.0 14.46 ? 36 A 1 -ATOM 775 C CD1 . PHE A1 1 46 ? 6.279 9.729 -12.741 1.0 15.56 ? 36 A 1 -ATOM 776 C CD2 . PHE A1 1 46 ? 6.932 7.649 -11.82 1.0 16.19 ? 36 A 1 -ATOM 777 C CE1 . PHE A1 1 46 ? 6.115 9.155 -13.941 1.0 15.57 ? 36 A 1 -ATOM 778 C CE2 . PHE A1 1 46 ? 6.799 7.067 -13.088 1.0 18.27 ? 36 A 1 -ATOM 779 C CZ . PHE A1 1 46 ? 6.391 7.842 -14.155 1.0 15.99 ? 36 A 1 -ATOM 780 H H . PHE A1 1 46 ? 8.984 10.419 -11.28 1.0 18.81 ? 36 A 1 -ATOM 781 H HA . PHE A1 1 46 ? 6.704 11.554 -10.728 1.0 18.08 ? 36 A 1 -ATOM 782 H HB2 . PHE A1 1 46 ? 7.579 9.038 -9.817 1.0 18.9 ? 36 A 1 -ATOM 783 H HB3 . PHE A1 1 46 ? 6.066 9.524 -9.806 1.0 18.9 ? 36 A 1 -ATOM 784 H HD1 . PHE A1 1 46 ? 6.11 10.637 -12.632 1.0 18.67 ? 36 A 1 -ATOM 785 H HD2 . PHE A1 1 46 ? 7.181 7.123 -11.095 1.0 19.43 ? 36 A 1 -ATOM 786 H HE1 . PHE A1 1 46 ? 5.804 9.672 -14.649 1.0 18.68 ? 36 A 1 -ATOM 787 H HE2 . PHE A1 1 46 ? 6.985 6.164 -13.21 1.0 21.92 ? 36 A 1 -ATOM 788 H HZ . PHE A1 1 46 ? 6.305 7.472 -15.005 1.0 19.19 ? 36 A 1 -ATOM 789 N N . LYS A1 1 47 ? 8.628 11.248 -8.186 1.0 16.8 ? 37 A 1 -ATOM 790 C CA . LYS A1 1 47 ? 8.811 11.726 -6.81 1.0 17.75 ? 37 A 1 -ATOM 791 C C . LYS A1 1 47 ? 8.955 13.239 -6.75 1.0 20.35 ? 37 A 1 -ATOM 792 O O . LYS A1 1 47 ? 8.465 13.865 -5.808 1.0 18.67 ? 37 A 1 -ATOM 793 C CB . LYS A1 1 47 ? 9.997 11.02 -6.181 1.0 21.93 ? 37 A 1 -ATOM 794 C CG . LYS A1 1 47 ? 9.723 9.582 -5.822 1.0 25.16 ? 37 A 1 -ATOM 795 C CD . LYS A1 1 47 ? 11.0 8.941 -5.281 1.0 51.44 ? 37 A 1 -ATOM 796 C CE . LYS A1 1 47 ? 10.782 7.506 -4.876 1.0 71.22 ? 37 A 1 -ATOM 797 N NZ . LYS A1 1 47 ? 12.096 6.81 -4.728 1.0 74.43 ? 37 A 1 -ATOM 798 H H . LYS A1 1 47 ? 9.284 10.787 -8.498 1.0 20.16 ? 37 A 1 -ATOM 799 H HA . LYS A1 1 47 ? 8.024 11.503 -6.288 1.0 21.3 ? 37 A 1 -ATOM 800 H HB2 . LYS A1 1 47 ? 10.737 11.033 -6.808 1.0 26.32 ? 37 A 1 -ATOM 801 H HB3 . LYS A1 1 47 ? 10.243 11.487 -5.367 1.0 26.32 ? 37 A 1 -ATOM 802 H HG2 . LYS A1 1 47 ? 9.036 9.538 -5.138 1.0 30.19 ? 37 A 1 -ATOM 803 H HG3 . LYS A1 1 47 ? 9.437 9.094 -6.61 1.0 30.19 ? 37 A 1 -ATOM 804 H HD2 . LYS A1 1 47 ? 11.683 8.961 -5.969 1.0 61.73 ? 37 A 1 -ATOM 805 H HD3 . LYS A1 1 47 ? 11.299 9.433 -4.501 1.0 61.73 ? 37 A 1 -ATOM 806 H HE2 . LYS A1 1 47 ? 10.315 7.473 -4.027 1.0 85.46 ? 37 A 1 -ATOM 807 H HE3 . LYS A1 1 47 ? 10.264 7.049 -5.557 1.0 85.46 ? 37 A 1 -ATOM 808 H HZ1 . LYS A1 1 47 ? 12.589 7.217 -4.109 1.0 89.32 ? 37 A 1 -ATOM 809 H HZ2 . LYS A1 1 47 ? 11.967 5.964 -4.484 1.0 89.32 ? 37 A 1 -ATOM 810 H HZ3 . LYS A1 1 47 ? 12.537 6.823 -5.502 1.0 89.32 ? 37 A 1 -ATOM 811 N N . LEU A1 1 48 ? 9.6 13.86 -7.742 1.0 18.55 ? 38 A 1 -ATOM 812 C CA . LEU A1 1 48 ? 9.656 15.311 -7.805 1.0 18.75 ? 38 A 1 -ATOM 813 C C . LEU A1 1 48 ? 8.272 15.91 -7.944 1.0 17.65 ? 38 A 1 -ATOM 814 O O . LEU A1 1 48 ? 7.915 16.867 -7.235 1.0 17.53 ? 38 A 1 -ATOM 815 C CB . LEU A1 1 48 ? 10.579 15.739 -8.946 1.0 20.13 ? 38 A 1 -ATOM 816 C CG . LEU A1 1 48 ? 10.662 17.248 -9.176 1.0 19.78 ? 38 A 1 -ATOM 817 C CD1 . LEU A1 1 48 ? 11.07 18.007 -7.94 1.0 20.4 ? 38 A 1 -ATOM 818 C CD2 . LEU A1 1 48 ? 11.661 17.495 -10.33 1.0 21.02 ? 38 A 1 -ATOM 819 H H . LEU A1 1 48 ? 10.009 13.462 -8.385 1.0 22.26 ? 38 A 1 -ATOM 820 H HA . LEU A1 1 48 ? 10.031 15.655 -6.979 1.0 22.51 ? 38 A 1 -ATOM 821 H HB2 . LEU A1 1 48 ? 11.476 15.424 -8.749 1.0 24.16 ? 38 A 1 -ATOM 822 H HB3 . LEU A1 1 48 ? 10.259 15.336 -9.768 1.0 24.16 ? 38 A 1 -ATOM 823 H HG . LEU A1 1 48 ? 9.784 17.589 -9.407 1.0 23.74 ? 38 A 1 -ATOM 824 H HD11 . LEU A1 1 48 ? 11.216 18.937 -8.174 1.0 24.48 ? 38 A 1 -ATOM 825 H HD12 . LEU A1 1 48 ? 10.362 17.939 -7.28 1.0 24.48 ? 38 A 1 -ATOM 826 H HD13 . LEU A1 1 48 ? 11.888 17.622 -7.588 1.0 24.48 ? 38 A 1 -ATOM 827 H HD21 . LEU A1 1 48 ? 11.728 18.449 -10.492 1.0 25.22 ? 38 A 1 -ATOM 828 H HD22 . LEU A1 1 48 ? 12.529 17.141 -10.078 1.0 25.22 ? 38 A 1 -ATOM 829 H HD23 . LEU A1 1 48 ? 11.34 17.047 -11.128 1.0 25.22 ? 38 A 1 -ATOM 830 N N . ALA A1 1 49 ? 7.49 15.394 -8.885 1.0 16.48 ? 39 A 1 -ATOM 831 C CA . ALA A1 1 49 ? 6.141 15.878 -9.061 1.0 15.27 ? 39 A 1 -ATOM 832 C C . ALA A1 1 49 ? 5.304 15.676 -7.791 1.0 15.99 ? 39 A 1 -ATOM 833 O O . ALA A1 1 49 ? 4.569 16.59 -7.399 1.0 15.49 ? 39 A 1 -ATOM 834 C CB . ALA A1 1 49 ? 5.483 15.203 -10.251 1.0 15.62 ? 39 A 1 -ATOM 835 H H . ALA A1 1 49 ? 7.72 14.768 -9.428 1.0 19.78 ? 39 A 1 -ATOM 836 H HA . ALA A1 1 49 ? 6.18 16.83 -9.247 1.0 18.33 ? 39 A 1 -ATOM 837 H HB1 . ALA A1 1 49 ? 4.594 15.574 -10.372 1.0 18.74 ? 39 A 1 -ATOM 838 H HB2 . ALA A1 1 49 ? 6.019 15.365 -11.042 1.0 18.74 ? 39 A 1 -ATOM 839 H HB3 . ALA A1 1 49 ? 5.423 14.25 -10.08 1.0 18.74 ? 39 A 1 -ATOM 840 N N . ASP A1 1 50 ? 5.446 14.512 -7.168 1.0 15.31 ? 40 A 1 -ATOM 841 C CA . ASP A1 1 50 ? 4.734 14.285 -5.912 1.0 15.7 ? 40 A 1 -ATOM 842 C C . ASP A1 1 50 ? 5.153 15.26 -4.831 1.0 16.42 ? 40 A 1 -ATOM 843 O O . ASP A1 1 50 ? 4.271 15.735 -4.082 1.0 16.92 ? 40 A 1 -ATOM 844 C CB . ASP A1 1 50 ? 4.94 12.844 -5.5 1.0 15.92 ? 40 A 1 -ATOM 845 C CG . ASP A1 1 50 ? 4.187 12.483 -4.257 1.0 17.3 ? 40 A 1 -ATOM 846 O OD1 . ASP A1 1 50 ? 2.935 12.348 -4.322 1.0 18.21 ? 40 A 1 -ATOM 847 O OD2 . ASP A1 1 50 ? 4.83 12.307 -3.2 1.0 19.08 ? 40 A 1 -ATOM 848 H H . ASP A1 1 50 ? 5.932 13.857 -7.44 1.0 18.37 ? 40 A 1 -ATOM 849 H HA . ASP A1 1 50 ? 3.784 14.433 -6.04 1.0 18.84 ? 40 A 1 -ATOM 850 H HB2 . ASP A1 1 50 ? 4.634 12.264 -6.215 1.0 19.1 ? 40 A 1 -ATOM 851 H HB3 . ASP A1 1 50 ? 5.884 12.695 -5.333 1.0 19.1 ? 40 A 1 -ATOM 852 N N . GLU A1 1 51 ? 6.424 15.601 -4.749 1.0 16.59 ? 41 A 1 -ATOM 853 C CA . GLU A1 1 51 ? 6.87 16.557 -3.761 1.0 18.01 ? 41 A 1 -ATOM 854 C C . GLU A1 1 51 ? 6.222 17.91 -4.013 1.0 17.4 ? 41 A 1 -ATOM 855 O O . GLU A1 1 51 ? 5.769 18.582 -3.089 1.0 19.33 ? 41 A 1 -ATOM 856 C CB . GLU A1 1 51 ? 8.383 16.679 -3.854 1.0 22.96 ? 41 A 1 -ATOM 857 C CG . GLU A1 1 51 ? 8.954 17.582 -2.864 1.0 29.44 ? 41 A 1 -ATOM 858 C CD . GLU A1 1 51 ? 10.469 17.656 -3.021 1.0 67.73 ? 41 A 1 -ATOM 859 O OE1 . GLU A1 1 51 ? 10.964 18.469 -3.827 1.0 63.26 ? 41 A 1 -ATOM 860 O OE2 . GLU A1 1 51 ? 11.151 16.864 -2.364 1.0 39.0 ? 41 A 1 -ATOM 861 H H . GLU A1 1 51 ? 7.049 15.293 -5.253 1.0 19.91 ? 41 A 1 -ATOM 862 H HA . GLU A1 1 51 ? 6.628 16.257 -2.871 1.0 21.61 ? 41 A 1 -ATOM 863 H HB2 . GLU A1 1 51 ? 8.776 15.803 -3.72 1.0 27.55 ? 41 A 1 -ATOM 864 H HB3 . GLU A1 1 51 ? 8.616 17.016 -4.733 1.0 27.55 ? 41 A 1 -ATOM 865 H HG2 . GLU A1 1 51 ? 8.587 18.471 -2.985 1.0 35.32 ? 41 A 1 -ATOM 866 H HG3 . GLU A1 1 51 ? 8.751 17.257 -1.973 1.0 35.32 ? 41 A 1 -ATOM 867 N N . ILE A1 1 52 ? 6.212 18.356 -5.264 1.0 16.07 ? 42 A 1 -ATOM 868 C CA . ILE A1 1 52 ? 5.657 19.648 -5.587 1.0 16.14 ? 42 A 1 -ATOM 869 C C . ILE A1 1 52 ? 4.165 19.64 -5.278 1.0 16.02 ? 42 A 1 -ATOM 870 O O . ILE A1 1 52 ? 3.606 20.636 -4.764 1.0 16.74 ? 42 A 1 -ATOM 871 C CB . ILE A1 1 52 ? 5.96 19.997 -7.073 1.0 16.03 ? 42 A 1 -ATOM 872 C CG1 . ILE A1 1 52 ? 7.449 20.208 -7.205 1.0 20.85 ? 42 A 1 -ATOM 873 C CG2 . ILE A1 1 52 ? 5.197 21.194 -7.536 1.0 17.03 ? 42 A 1 -ATOM 874 C CD1 . ILE A1 1 52 ? 7.933 20.471 -8.628 1.0 38.42 ? 42 A 1 -ATOM 875 H H . ILE A1 1 52 ? 6.522 17.925 -5.94 1.0 19.28 ? 42 A 1 -ATOM 876 H HA . ILE A1 1 52 ? 6.072 20.336 -5.043 1.0 19.37 ? 42 A 1 -ATOM 877 H HB . ILE A1 1 52 ? 5.673 19.264 -7.639 1.0 19.23 ? 42 A 1 -ATOM 878 H HG12 . ILE A1 1 52 ? 7.701 20.973 -6.665 1.0 25.02 ? 42 A 1 -ATOM 879 H HG13 . ILE A1 1 52 ? 7.902 19.412 -6.884 1.0 25.02 ? 42 A 1 -ATOM 880 H HG21 . ILE A1 1 52 ? 5.479 21.418 -8.437 1.0 20.44 ? 42 A 1 -ATOM 881 H HG22 . ILE A1 1 52 ? 4.25 20.987 -7.527 1.0 20.44 ? 42 A 1 -ATOM 882 H HG23 . ILE A1 1 52 ? 5.38 21.936 -6.939 1.0 20.44 ? 42 A 1 -ATOM 883 H HD11 . ILE A1 1 52 ? 8.888 20.309 -8.672 1.0 46.1 ? 42 A 1 -ATOM 884 H HD12 . ILE A1 1 52 ? 7.468 19.873 -9.235 1.0 46.1 ? 42 A 1 -ATOM 885 H HD13 . ILE A1 1 52 ? 7.742 21.393 -8.861 1.0 46.1 ? 42 A 1 -ATOM 886 N N . ARG A1 1 53 ? 3.482 18.55 -5.605 1.0 15.25 ? 43 A 1 -ATOM 887 C CA . ARG A1 1 53 ? 2.067 18.413 -5.268 1.0 14.48 ? 43 A 1 -ATOM 888 C C . ARG A1 1 53 ? 1.856 18.56 -3.755 1.0 15.39 ? 43 A 1 -ATOM 889 O O . ARG A1 1 53 ? 0.986 19.356 -3.333 1.0 16.46 ? 43 A 1 -ATOM 890 C CB . ARG A1 1 53 ? 1.573 17.074 -5.793 1.0 15.04 ? 43 A 1 -ATOM 891 C CG . ARG A1 1 53 ? 0.096 16.746 -5.675 1.0 15.02 ? 43 A 1 -ATOM 892 C CD . ARG A1 1 53 ? -0.32 16.279 -4.259 1.0 15.04 ? 43 A 1 -ATOM 893 N NE . ARG A1 1 53 ? 0.339 15.055 -3.901 1.0 15.94 ? 43 A 1 -ATOM 894 C CZ . ARG A1 1 53 ? 0.364 14.512 -2.692 1.0 15.2 ? 43 A 1 -ATOM 895 N NH1 . ARG A1 1 53 ? -0.247 15.148 -1.69 1.0 17.18 ? 43 A 1 -ATOM 896 N NH2 . ARG A1 1 53 ? 0.986 13.396 -2.466 1.0 16.41 ? 43 A 1 -ATOM 897 H H . ARG A1 1 53 ? 3.811 17.874 -6.023 1.0 18.3 ? 43 A 1 -ATOM 898 H HA . ARG A1 1 53 ? 1.544 19.11 -5.694 1.0 17.37 ? 43 A 1 -ATOM 899 H HB2 . ARG A1 1 53 ? 1.79 17.032 -6.738 1.0 18.05 ? 43 A 1 -ATOM 900 H HB3 . ARG A1 1 53 ? 2.049 16.378 -5.313 1.0 18.05 ? 43 A 1 -ATOM 901 H HG2 . ARG A1 1 53 ? -0.42 17.539 -5.889 1.0 18.03 ? 43 A 1 -ATOM 902 H HG3 . ARG A1 1 53 ? -0.118 16.034 -6.298 1.0 18.03 ? 43 A 1 -ATOM 903 H HD2 . ARG A1 1 53 ? -0.078 16.959 -3.611 1.0 18.05 ? 43 A 1 -ATOM 904 H HD3 . ARG A1 1 53 ? -1.278 16.128 -4.238 1.0 18.05 ? 43 A 1 -ATOM 905 H HE . ARG A1 1 53 ? 0.755 14.637 -4.527 1.0 19.12 ? 43 A 1 -ATOM 906 H HH11 . ARG A1 1 53 ? -0.647 15.895 -1.835 1.0 20.62 ? 43 A 1 -ATOM 907 H HH12 . ARG A1 1 53 ? -0.24 14.81 -0.899 1.0 20.62 ? 43 A 1 -ATOM 908 H HH21 . ARG A1 1 53 ? 1.393 12.993 -3.108 1.0 19.69 ? 43 A 1 -ATOM 909 H HH22 . ARG A1 1 53 ? 0.991 13.059 -1.675 1.0 19.69 ? 43 A 1 -ATOM 910 N N . ARG A1 1 54 ? 2.628 17.821 -2.959 1.0 15.34 ? 44 A 1 -ATOM 911 C CA . ARG A1 1 54 ? 2.494 17.939 -1.507 1.0 16.73 ? 44 A 1 -ATOM 912 C C . ARG A1 1 54 ? 2.653 19.384 -1.063 1.0 18.65 ? 44 A 1 -ATOM 913 O O . ARG A1 1 54 ? 1.925 19.849 -0.173 1.0 20.75 ? 44 A 1 -ATOM 914 C CB . ARG A1 1 54 ? 3.568 17.082 -0.859 1.0 18.28 ? 44 A 1 -ATOM 915 C CG . ARG A1 1 54 ? 3.325 15.587 -0.936 1.0 17.16 ? 44 A 1 -ATOM 916 C CD . ARG A1 1 54 ? 4.542 14.812 -0.555 1.0 20.11 ? 44 A 1 -ATOM 917 N NE . ARG A1 1 54 ? 4.378 13.385 -0.688 1.0 22.23 ? 44 A 1 -ATOM 918 C CZ . ARG A1 1 54 ? 3.863 12.57 0.204 0.89 26.85 ? 44 A 1 -ATOM 919 N NH1 . ARG A1 1 54 ? 3.474 13.031 1.403 0.7 23.89 ? 44 A 1 -ATOM 920 N NH2 . ARG A1 1 54 ? 3.802 11.268 -0.054 0.73 26.78 ? 44 A 1 -ATOM 921 H H . ARG A1 1 54 ? 3.222 17.259 -3.227 1.0 18.4 ? 44 A 1 -ATOM 922 H HA . ARG A1 1 54 ? 1.618 17.63 -1.228 1.0 20.07 ? 44 A 1 -ATOM 923 H HB2 . ARG A1 1 54 ? 4.413 17.263 -1.3 1.0 21.93 ? 44 A 1 -ATOM 924 H HB3 . ARG A1 1 54 ? 3.626 17.32 0.08 1.0 21.93 ? 44 A 1 -ATOM 925 H HG2 . ARG A1 1 54 ? 2.608 15.346 -0.329 1.0 20.59 ? 44 A 1 -ATOM 926 H HG3 . ARG A1 1 54 ? 3.084 15.347 -1.845 1.0 20.59 ? 44 A 1 -ATOM 927 H HD2 . ARG A1 1 54 ? 5.277 15.081 -1.127 1.0 24.13 ? 44 A 1 -ATOM 928 H HD3 . ARG A1 1 54 ? 4.756 15.001 0.372 1.0 24.13 ? 44 A 1 -ATOM 929 H HE . ARG A1 1 54 ? 4.645 13.033 -1.425 1.0 26.68 ? 44 A 1 -ATOM 930 H HH11 . ARG A1 1 54 ? 3.56 13.865 1.592 0.81 28.67 ? 44 A 1 -ATOM 931 H HH12 . ARG A1 1 54 ? 3.137 12.492 1.982 0.81 28.67 ? 44 A 1 -ATOM 932 H HH21 . ARG A1 1 54 ? 4.099 10.964 -0.801 0.75 32.13 ? 44 A 1 -ATOM 933 H HH22 . ARG A1 1 54 ? 3.466 10.73 0.527 0.72 32.13 ? 44 A 1 -ATOM 934 N N . LYS A1 1 55 ? 3.641 20.093 -1.582 1.0 17.59 ? 45 A 1 -ATOM 935 C CA . LYS A1 1 55 ? 3.943 21.425 -1.109 1.0 19.63 ? 45 A 1 -ATOM 936 C C . LYS A1 1 55 ? 2.903 22.446 -1.506 1.0 17.14 ? 45 A 1 -ATOM 937 O O . LYS A1 1 55 ? 2.642 23.378 -0.746 1.0 20.76 ? 45 A 1 -ATOM 938 C CB . LYS A1 1 55 ? 5.34 21.769 -1.556 1.0 21.86 ? 45 A 1 -ATOM 939 C CG . LYS A1 1 55 ? 6.356 20.861 -0.881 1.0 22.37 ? 45 A 1 -ATOM 940 C CD . LYS A1 1 55 ? 7.779 21.328 -1.2 1.0 29.14 ? 45 A 1 -ATOM 941 C CE . LYS A1 1 55 ? 8.863 20.43 -0.5 1.0 25.72 ? 45 A 1 -ATOM 942 N NZ . LYS A1 1 55 ? 10.166 20.911 -0.707 1.0 29.81 ? 45 A 1 -ATOM 943 H H . LYS A1 1 55 ? 4.156 19.821 -2.215 1.0 21.11 ? 45 A 1 -ATOM 944 H HA . LYS A1 1 55 ? 3.926 21.45 -0.139 1.0 23.55 ? 45 A 1 -ATOM 945 H HB2 . LYS A1 1 55 ? 5.411 21.652 -2.516 1.0 26.24 ? 45 A 1 -ATOM 946 H HB3 . LYS A1 1 55 ? 5.539 22.688 -1.317 1.0 26.24 ? 45 A 1 -ATOM 947 H HG2 . LYS A1 1 55 ? 6.23 20.889 0.081 1.0 26.85 ? 45 A 1 -ATOM 948 H HG3 . LYS A1 1 55 ? 6.248 19.953 -1.204 1.0 26.85 ? 45 A 1 -ATOM 949 H HD2 . LYS A1 1 55 ? 7.922 21.284 -2.159 1.0 34.96 ? 45 A 1 -ATOM 950 H HD3 . LYS A1 1 55 ? 7.894 22.24 -0.89 1.0 34.96 ? 45 A 1 -ATOM 951 H HE2 . LYS A1 1 55 ? 8.695 20.414 0.456 1.0 30.87 ? 45 A 1 -ATOM 952 H HE3 . LYS A1 1 55 ? 8.813 19.53 -0.86 1.0 30.87 ? 45 A 1 -ATOM 953 H HZ1 . LYS A1 1 55 ? 10.754 20.381 -0.302 1.0 35.78 ? 45 A 1 -ATOM 954 H HZ2 . LYS A1 1 55 ? 10.347 20.932 -1.578 1.0 35.78 ? 45 A 1 -ATOM 955 H HZ3 . LYS A1 1 55 ? 10.242 21.734 -0.376 1.0 35.78 ? 45 A 1 -ATOM 956 N N . TYR A1 1 56 ? 2.337 22.364 -2.724 1.0 16.69 ? 46 A 1 -ATOM 957 C CA . TYR A1 1 56 ? 1.54 23.458 -3.241 1.0 18.52 ? 46 A 1 -ATOM 958 C C . TYR A1 1 56 ? 0.057 23.194 -3.351 1.0 17.69 ? 46 A 1 -ATOM 959 O O . TYR A1 1 56 ? -0.684 24.152 -3.441 1.0 20.41 ? 46 A 1 -ATOM 960 C CB . TYR A1 1 56 ? 2.123 23.965 -4.576 1.0 17.94 ? 46 A 1 -ATOM 961 C CG . TYR A1 1 56 ? 3.49 24.57 -4.276 1.0 19.38 ? 46 A 1 -ATOM 962 C CD1 . TYR A1 1 56 ? 3.622 25.792 -3.647 1.0 20.13 ? 46 A 1 -ATOM 963 C CD2 . TYR A1 1 56 ? 4.659 23.826 -4.494 1.0 20.97 ? 46 A 1 -ATOM 964 C CE1 . TYR A1 1 56 ? 4.86 26.323 -3.295 1.0 25.17 ? 46 A 1 -ATOM 965 C CE2 . TYR A1 1 56 ? 5.923 24.359 -4.105 1.0 22.79 ? 46 A 1 -ATOM 966 C CZ . TYR A1 1 56 ? 6.003 25.587 -3.528 1.0 23.08 ? 46 A 1 -ATOM 967 O OH . TYR A1 1 56 ? 7.24 26.077 -3.158 1.0 26.63 ? 46 A 1 -ATOM 968 H H . TYR A1 1 56 ? 2.408 21.689 -3.252 1.0 20.03 ? 46 A 1 -ATOM 969 H HA . TYR A1 1 56 ? 1.603 24.198 -2.617 1.0 22.23 ? 46 A 1 -ATOM 970 H HB2 . TYR A1 1 56 ? 2.225 23.229 -5.199 1.0 21.53 ? 46 A 1 -ATOM 971 H HB3 . TYR A1 1 56 ? 1.546 24.645 -4.958 1.0 21.53 ? 46 A 1 -ATOM 972 H HD1 . TYR A1 1 56 ? 2.855 26.279 -3.451 1.0 24.16 ? 46 A 1 -ATOM 973 H HD2 . TYR A1 1 56 ? 4.61 22.986 -4.892 1.0 25.16 ? 46 A 1 -ATOM 974 H HE1 . TYR A1 1 56 ? 4.916 27.166 -2.906 1.0 30.2 ? 46 A 1 -ATOM 975 H HE2 . TYR A1 1 56 ? 6.697 23.864 -4.248 1.0 27.35 ? 46 A 1 -ATOM 976 H HH . TYR A1 1 56 ? 7.154 26.83 -2.796 1.0 31.96 ? 46 A 1 -ATOM 977 N N . VAL A1 1 57 ? -0.396 21.94 -3.34 1.0 17.59 ? 47 A 1 -ATOM 978 C CA . VAL A1 1 57 ? -1.823 21.627 -3.249 1.0 16.9 ? 47 A 1 -ATOM 979 C C . VAL A1 1 57 ? -2.138 20.713 -2.077 1.0 17.01 ? 47 A 1 -ATOM 980 O O . VAL A1 1 57 ? -3.325 20.439 -1.872 1.0 17.34 ? 47 A 1 -ATOM 981 C CB . VAL A1 1 57 ? -2.417 21.084 -4.57 1.0 16.64 ? 47 A 1 -ATOM 982 C CG1 . VAL A1 1 57 ? -2.267 22.142 -5.707 1.0 16.02 ? 47 A 1 -ATOM 983 C CG2 . VAL A1 1 57 ? -1.818 19.74 -4.971 1.0 15.98 ? 47 A 1 -ATOM 984 H H . VAL A1 1 57 ? 0.109 21.246 -3.384 1.0 21.11 ? 47 A 1 -ATOM 985 H HA . VAL A1 1 57 ? -2.298 22.459 -3.096 1.0 20.28 ? 47 A 1 -ATOM 986 H HB . VAL A1 1 57 ? -3.363 20.921 -4.426 1.0 19.96 ? 47 A 1 -ATOM 987 H HG11 . VAL A1 1 57 ? -2.693 21.805 -6.511 1.0 19.22 ? 47 A 1 -ATOM 988 H HG12 . VAL A1 1 57 ? -2.692 22.968 -5.428 1.0 19.22 ? 47 A 1 -ATOM 989 H HG13 . VAL A1 1 57 ? -1.323 22.295 -5.873 1.0 19.22 ? 47 A 1 -ATOM 990 H HG21 . VAL A1 1 57 ? -2.2 19.465 -5.819 1.0 19.17 ? 47 A 1 -ATOM 991 H HG22 . VAL A1 1 57 ? -0.857 19.836 -5.057 1.0 19.17 ? 47 A 1 -ATOM 992 H HG23 . VAL A1 1 57 ? -2.025 19.085 -4.287 1.0 19.17 ? 47 A 1 -ATOM 993 N N . GLY A1 1 58 ? -1.154 20.212 -1.353 1.0 17.86 ? 48 A 1 -ATOM 994 C CA . GLY A1 1 58 ? -1.461 19.519 -0.109 1.0 19.29 ? 48 A 1 -ATOM 995 C C . GLY A1 1 58 ? -1.981 18.106 -0.333 1.0 17.95 ? 48 A 1 -ATOM 996 O O . GLY A1 1 58 ? -1.86 17.511 -1.431 1.0 18.76 ? 48 A 1 -ATOM 997 H H . GLY A1 1 58 ? -0.318 20.258 -1.551 1.0 21.43 ? 48 A 1 -ATOM 998 H HA2 . GLY A1 1 58 ? -0.659 19.464 0.434 1.0 23.15 ? 48 A 1 -ATOM 999 H HA3 . GLY A1 1 58 ? -2.137 20.017 0.376 1.0 23.15 ? 48 A 1 -ATOM 1000 N N . ASP A1 1 59 ? -2.605 17.543 0.717 1.0 18.09 ? 49 A 1 -ATOM 1001 C CA A ASP A1 1 59 ? -2.973 16.128 0.748 0.72 17.17 ? 49 A 1 -ATOM 1002 C CA B ASP A1 1 59 ? -2.954 16.13 0.692 0.28 21.98 ? 49 A 1 -ATOM 1003 C C . ASP A1 1 59 ? -4.424 15.867 0.409 1.0 18.12 ? 49 A 1 -ATOM 1004 O O . ASP A1 1 59 ? -4.808 14.714 0.266 1.0 20.81 ? 49 A 1 -ATOM 1005 C CB A ASP A1 1 59 ? -2.655 15.487 2.111 0.72 21.63 ? 49 A 1 -ATOM 1006 C CB B ASP A1 1 59 ? -2.46 15.398 1.927 0.28 40.47 ? 49 A 1 -ATOM 1007 C CG A ASP A1 1 59 ? -1.465 14.458 2.003 0.72 24.72 ? 49 A 1 -ATOM 1008 C CG B ASP A1 1 59 ? -3.345 15.585 3.078 0.28 32.72 ? 49 A 1 -ATOM 1009 O OD1 A ASP A1 1 59 ? -0.483 14.576 1.139 0.72 21.91 ? 49 A 1 -ATOM 1010 O OD1 B ASP A1 1 59 ? -3.906 16.69 3.224 0.28 36.53 ? 49 A 1 -ATOM 1011 O OD2 A ASP A1 1 59 ? -1.47 13.523 2.807 0.72 31.5 ? 49 A 1 -ATOM 1012 O OD2 B ASP A1 1 59 ? -3.517 14.605 3.82 0.28 29.57 ? 49 A 1 -ATOM 1013 H H . ASP A1 1 59 ? -2.825 17.973 1.429 1.0 21.71 ? 49 A 1 -ATOM 1014 H HA . ASP A1 1 59 ? -2.426 15.68 0.085 1.0 26.38 ? 49 A 1 -ATOM 1015 H HB2 A ASP A1 1 59 ? -2.403 16.181 2.741 0.72 25.96 ? 49 A 1 -ATOM 1016 H HB2 B ASP A1 1 59 ? -2.412 14.448 1.735 0.28 48.56 ? 49 A 1 -ATOM 1017 H HB3 A ASP A1 1 59 ? -3.438 15.015 2.435 0.72 25.96 ? 49 A 1 -ATOM 1018 H HB3 B ASP A1 1 59 ? -1.581 15.733 2.165 0.28 48.56 ? 49 A 1 -ATOM 1019 N N . GLU A1 1 60 ? -5.258 16.914 0.246 1.0 16.54 ? 50 A 1 -ATOM 1020 C CA . GLU A1 1 60 ? -6.657 16.7 -0.102 1.0 17.67 ? 50 A 1 -ATOM 1021 C C . GLU A1 1 60 ? -6.762 16.232 -1.546 1.0 17.52 ? 50 A 1 -ATOM 1022 O O . GLU A1 1 60 ? -6.157 16.822 -2.452 1.0 16.7 ? 50 A 1 -ATOM 1023 C CB . GLU A1 1 60 ? -7.465 18.003 0.094 1.0 18.44 ? 50 A 1 -ATOM 1024 C CG . GLU A1 1 60 ? -7.639 18.332 1.568 1.0 21.81 ? 50 A 1 -ATOM 1025 C CD . GLU A1 1 60 ? -8.324 19.639 1.93 1.0 38.42 ? 50 A 1 -ATOM 1026 O OE1 . GLU A1 1 60 ? -9.206 20.129 1.232 1.0 26.81 ? 50 A 1 -ATOM 1027 O OE2 . GLU A1 1 60 ? -7.977 20.177 3.003 1.0 47.03 ? 50 A 1 -ATOM 1028 H H . GLU A1 1 60 ? -5.033 17.739 0.332 1.0 19.85 ? 50 A 1 -ATOM 1029 H HA . GLU A1 1 60 ? -7.035 16.02 0.477 1.0 21.2 ? 50 A 1 -ATOM 1030 H HB2 . GLU A1 1 60 ? -6.996 18.739 -0.33 1.0 22.13 ? 50 A 1 -ATOM 1031 H HB3 . GLU A1 1 60 ? -8.344 17.898 -0.302 1.0 22.13 ? 50 A 1 -ATOM 1032 H HG2 . GLU A1 1 60 ? -8.165 17.622 1.969 1.0 26.17 ? 50 A 1 -ATOM 1033 H HG3 . GLU A1 1 60 ? -6.757 18.359 1.971 1.0 26.17 ? 50 A 1 -ATOM 1034 N N . VAL A1 1 61 ? -7.552 15.188 -1.769 1.0 16.05 ? 51 A 1 -ATOM 1035 C CA . VAL A1 1 61 ? -7.91 14.736 -3.122 1.0 15.57 ? 51 A 1 -ATOM 1036 C C . VAL A1 1 61 ? -9.352 15.161 -3.33 1.0 15.54 ? 51 A 1 -ATOM 1037 O O . VAL A1 1 61 ? -10.256 14.697 -2.636 1.0 16.9 ? 51 A 1 -ATOM 1038 C CB . VAL A1 1 61 ? -7.746 13.233 -3.285 1.0 15.31 ? 51 A 1 -ATOM 1039 C CG1 . VAL A1 1 61 ? -8.214 12.773 -4.652 1.0 15.4 ? 51 A 1 -ATOM 1040 C CG2 . VAL A1 1 61 ? -6.288 12.856 -3.117 1.0 16.48 ? 51 A 1 -ATOM 1041 H H . VAL A1 1 61 ? -7.903 14.712 -1.145 1.0 19.27 ? 51 A 1 -ATOM 1042 H HA . VAL A1 1 61 ? -7.344 15.166 -3.782 1.0 18.68 ? 51 A 1 -ATOM 1043 H HB . VAL A1 1 61 ? -8.285 12.794 -2.608 1.0 18.37 ? 51 A 1 -ATOM 1044 H HG11 . VAL A1 1 61 ? -7.971 11.842 -4.773 1.0 18.49 ? 51 A 1 -ATOM 1045 H HG12 . VAL A1 1 61 ? -9.178 12.873 -4.706 1.0 18.49 ? 51 A 1 -ATOM 1046 H HG13 . VAL A1 1 61 ? -7.787 13.318 -5.332 1.0 18.49 ? 51 A 1 -ATOM 1047 H HG21 . VAL A1 1 61 ? -6.193 11.899 -3.239 1.0 19.78 ? 51 A 1 -ATOM 1048 H HG22 . VAL A1 1 61 ? -5.761 13.328 -3.781 1.0 19.78 ? 51 A 1 -ATOM 1049 H HG23 . VAL A1 1 61 ? -5.997 13.106 -2.226 1.0 19.78 ? 51 A 1 -ATOM 1050 N N . HIS A1 1 62 ? -9.57 16.114 -4.23 1.0 15.21 ? 52 A 1 -ATOM 1051 C CA . HIS A1 1 62 ? -10.896 16.673 -4.453 1.0 15.01 ? 52 A 1 -ATOM 1052 C C . HIS A1 1 62 ? -11.749 15.764 -5.302 1.0 14.07 ? 52 A 1 -ATOM 1053 O O . HIS A1 1 62 ? -11.274 15.264 -6.337 1.0 15.69 ? 52 A 1 -ATOM 1054 C CB . HIS A1 1 62 ? -10.797 18.072 -5.051 1.0 14.57 ? 52 A 1 -ATOM 1055 C CG . HIS A1 1 62 ? -10.071 18.999 -4.143 1.0 15.99 ? 52 A 1 -ATOM 1056 N ND1 . HIS A1 1 62 ? -10.636 19.419 -2.972 1.0 17.59 ? 52 A 1 -ATOM 1057 C CD2 . HIS A1 1 62 ? -8.804 19.463 -4.162 1.0 18.68 ? 52 A 1 -ATOM 1058 C CE1 . HIS A1 1 62 ? -9.75 20.153 -2.314 1.0 18.36 ? 52 A 1 -ATOM 1059 N NE2 . HIS A1 1 62 ? -8.634 20.193 -3.007 1.0 18.23 ? 52 A 1 -ATOM 1060 H H . HIS A1 1 62 ? -8.96 16.457 -4.729 1.0 18.25 ? 52 A 1 -ATOM 1061 H HA . HIS A1 1 62 ? -11.347 16.749 -3.598 1.0 18.02 ? 52 A 1 -ATOM 1062 H HB2 . HIS A1 1 62 ? -10.316 18.029 -5.892 1.0 17.49 ? 52 A 1 -ATOM 1063 H HB3 . HIS A1 1 62 ? -11.689 18.423 -5.196 1.0 17.49 ? 52 A 1 -ATOM 1064 H HD1 . HIS A1 1 62 ? -11.434 19.238 -2.707 1.0 21.1 ? 52 A 1 -ATOM 1065 H HD2 . HIS A1 1 62 ? -8.169 19.319 -4.826 1.0 22.41 ? 52 A 1 -ATOM 1066 H HE1 . HIS A1 1 62 ? -9.895 20.571 -1.496 1.0 22.03 ? 52 A 1 -ATOM 1067 N N . ILE A1 1 63 ? -12.971 15.558 -4.915 1.0 14.57 ? 53 A 1 -ATOM 1068 C CA . ILE A1 1 63 ? -13.892 14.681 -5.599 1.0 15.62 ? 53 A 1 -ATOM 1069 C C . ILE A1 1 63 ? -14.814 15.516 -6.456 1.0 14.65 ? 53 A 1 -ATOM 1070 O O . ILE A1 1 63 ? -15.549 16.372 -5.956 1.0 15.42 ? 53 A 1 -ATOM 1071 C CB . ILE A1 1 63 ? -14.677 13.834 -4.59 1.0 16.65 ? 53 A 1 -ATOM 1072 C CG1 . ILE A1 1 63 ? -13.721 12.902 -3.859 1.0 18.43 ? 53 A 1 -ATOM 1073 C CG2 . ILE A1 1 63 ? -15.783 13.06 -5.306 1.0 18.74 ? 53 A 1 -ATOM 1074 C CD1 . ILE A1 1 63 ? -14.348 12.183 -2.66 1.0 23.7 ? 53 A 1 -ATOM 1075 H H . ILE A1 1 63 ? -13.317 15.932 -4.223 1.0 17.49 ? 53 A 1 -ATOM 1076 H HA . ILE A1 1 63 ? -13.401 14.09 -6.192 1.0 18.75 ? 53 A 1 -ATOM 1077 H HB . ILE A1 1 63 ? -15.097 14.412 -3.934 1.0 19.98 ? 53 A 1 -ATOM 1078 H HG12 . ILE A1 1 63 ? -13.411 12.224 -4.48 1.0 22.12 ? 53 A 1 -ATOM 1079 H HG13 . ILE A1 1 63 ? -12.969 13.42 -3.532 1.0 22.12 ? 53 A 1 -ATOM 1080 H HG21 . ILE A1 1 63 ? -16.112 12.362 -4.718 1.0 22.49 ? 53 A 1 -ATOM 1081 H HG22 . ILE A1 1 63 ? -16.503 13.671 -5.529 1.0 22.49 ? 53 A 1 -ATOM 1082 H HG23 . ILE A1 1 63 ? -15.421 12.667 -6.116 1.0 22.49 ? 53 A 1 -ATOM 1083 H HD11 . ILE A1 1 63 ? -13.647 11.741 -2.156 1.0 28.45 ? 53 A 1 -ATOM 1084 H HD12 . ILE A1 1 63 ? -14.797 12.835 -2.101 1.0 28.45 ? 53 A 1 -ATOM 1085 H HD13 . ILE A1 1 63 ? -14.987 11.528 -2.983 1.0 28.45 ? 53 A 1 -ATOM 1086 N N . ARG A1 1 64 ? -14.864 15.233 -7.759 1.0 13.74 ? 54 A 1 -ATOM 1087 C CA . ARG A1 1 64 ? -15.715 15.929 -8.706 1.0 14.06 ? 54 A 1 -ATOM 1088 C C . ARG A1 1 64 ? -16.631 14.865 -9.303 1.0 15.32 ? 54 A 1 -ATOM 1089 O O . ARG A1 1 64 ? -16.172 14.059 -10.111 1.0 16.05 ? 54 A 1 -ATOM 1090 C CB . ARG A1 1 64 ? -14.91 16.621 -9.811 1.0 14.22 ? 54 A 1 -ATOM 1091 C CG . ARG A1 1 64 ? -13.536 17.177 -9.427 1.0 14.19 ? 54 A 1 -ATOM 1092 C CD . ARG A1 1 64 ? -13.563 18.305 -8.535 1.0 15.96 ? 54 A 1 -ATOM 1093 N NE . ARG A1 1 64 ? -12.312 19.099 -8.562 1.0 14.64 ? 54 A 1 -ATOM 1094 C CZ . ARG A1 1 64 ? -12.036 20.079 -7.743 1.0 15.52 ? 54 A 1 -ATOM 1095 N NH1 . ARG A1 1 64 ? -12.756 20.306 -6.682 1.0 16.26 ? 54 A 1 -ATOM 1096 N NH2 . ARG A1 1 64 ? -10.973 20.848 -7.994 1.0 17.69 ? 54 A 1 -ATOM 1097 H H . ARG A1 1 64 ? -14.392 14.615 -8.127 1.0 16.49 ? 54 A 1 -ATOM 1098 H HA . ARG A1 1 64 ? -16.228 16.615 -8.25 1.0 16.87 ? 54 A 1 -ATOM 1099 H HB2 . ARG A1 1 64 ? -14.765 15.978 -10.522 1.0 17.06 ? 54 A 1 -ATOM 1100 H HB3 . ARG A1 1 64 ? -15.434 17.368 -10.14 1.0 17.06 ? 54 A 1 -ATOM 1101 H HG2 . ARG A1 1 64 ? -13.03 16.474 -8.99 1.0 17.03 ? 54 A 1 -ATOM 1102 H HG3 . ARG A1 1 64 ? -13.081 17.458 -10.236 1.0 17.03 ? 54 A 1 -ATOM 1103 H HD2 . ARG A1 1 64 ? -14.293 18.89 -8.791 1.0 19.15 ? 54 A 1 -ATOM 1104 H HD3 . ARG A1 1 64 ? -13.694 17.986 -7.629 1.0 19.15 ? 54 A 1 -ATOM 1105 H HE . ARG A1 1 64 ? -11.726 18.9 -9.159 1.0 17.57 ? 54 A 1 -ATOM 1106 H HH11 . ARG A1 1 64 ? -13.432 19.804 -6.505 1.0 19.52 ? 54 A 1 -ATOM 1107 H HH12 . ARG A1 1 64 ? -12.556 20.957 -6.157 1.0 19.52 ? 54 A 1 -ATOM 1108 H HH21 . ARG A1 1 64 ? -10.483 20.693 -8.684 1.0 21.23 ? 54 A 1 -ATOM 1109 H HH22 . ARG A1 1 64 ? -10.777 21.497 -7.465 1.0 21.23 ? 54 A 1 -ATOM 1110 N N . ALA A1 1 65 ? -17.913 14.844 -8.946 1.0 13.32 ? 55 A 1 -ATOM 1111 C CA . ALA A1 1 65 ? -18.782 13.797 -9.436 1.0 12.77 ? 55 A 1 -ATOM 1112 C C . ALA A1 1 65 ? -19.308 14.164 -10.816 1.0 13.03 ? 55 A 1 -ATOM 1113 O O . ALA A1 1 65 ? -19.921 15.212 -10.995 1.0 14.51 ? 55 A 1 -ATOM 1114 C CB . ALA A1 1 65 ? -19.985 13.614 -8.513 1.0 14.49 ? 55 A 1 -ATOM 1115 H H . ALA A1 1 65 ? -18.29 15.418 -8.429 1.0 15.98 ? 55 A 1 -ATOM 1116 H HA . ALA A1 1 65 ? -18.275 12.972 -9.477 1.0 15.32 ? 55 A 1 -ATOM 1117 H HB1 . ALA A1 1 65 ? -20.553 12.912 -8.868 1.0 17.39 ? 55 A 1 -ATOM 1118 H HB2 . ALA A1 1 65 ? -19.671 13.369 -7.629 1.0 17.39 ? 55 A 1 -ATOM 1119 H HB3 . ALA A1 1 65 ? -20.479 14.448 -8.469 1.0 17.39 ? 55 A 1 -ATOM 1120 N N . ILE A1 1 66 ? -19.101 13.267 -11.784 1.0 12.92 ? 56 A 1 -ATOM 1121 C CA . ILE A1 1 66 ? -19.465 13.543 -13.181 1.0 13.41 ? 56 A 1 -ATOM 1122 C C . ILE A1 1 66 ? -20.821 12.951 -13.497 1.0 13.42 ? 56 A 1 -ATOM 1123 O O . ILE A1 1 66 ? -21.05 11.755 -13.264 1.0 15.24 ? 56 A 1 -ATOM 1124 C CB . ILE A1 1 66 ? -18.462 12.963 -14.178 1.0 12.74 ? 56 A 1 -ATOM 1125 C CG1 . ILE A1 1 66 ? -17.015 13.342 -13.906 1.0 15.18 ? 56 A 1 -ATOM 1126 C CG2 . ILE A1 1 66 ? -18.776 13.479 -15.609 1.0 15.31 ? 56 A 1 -ATOM 1127 C CD1 A ILE A1 1 66 ? -16.062 12.47 -14.761 0.85 15.32 ? 56 A 1 -ATOM 1128 H H . ILE A1 1 66 ? -18.751 12.491 -11.657 1.0 15.5 ? 56 A 1 -ATOM 1129 H HA . ILE A1 1 66 ? -19.497 14.509 -13.261 1.0 16.09 ? 56 A 1 -ATOM 1130 H HB . ILE A1 1 66 ? -18.557 12.002 -14.085 1.0 15.29 ? 56 A 1 -ATOM 1131 H HG12 A ILE A1 1 66 ? -16.874 14.273 -14.136 0.85 18.21 ? 56 A 1 -ATOM 1132 H HG13 A ILE A1 1 66 ? -16.812 13.197 -12.968 0.85 18.21 ? 56 A 1 -ATOM 1133 H HG21 . ILE A1 1 66 ? -18.137 13.096 -16.23 1.0 18.37 ? 56 A 1 -ATOM 1134 H HG22 . ILE A1 1 66 ? -19.676 13.209 -15.852 1.0 18.37 ? 56 A 1 -ATOM 1135 H HG23 . ILE A1 1 66 ? -18.707 14.447 -15.618 1.0 18.37 ? 56 A 1 -ATOM 1136 H HD11 A ILE A1 1 66 ? -15.307 12.2 -14.215 0.85 18.39 ? 56 A 1 -ATOM 1137 H HD12 A ILE A1 1 66 ? -16.544 11.686 -15.07 0.85 18.39 ? 56 A 1 -ATOM 1138 H HD13 A ILE A1 1 66 ? -15.754 12.989 -15.519 0.85 18.39 ? 56 A 1 -ATOM 1139 N N . ILE A1 1 67 ? -21.702 13.758 -14.059 1.0 12.78 ? 57 A 1 -ATOM 1140 C CA . ILE A1 1 67 ? -22.939 13.263 -14.644 1.0 12.95 ? 57 A 1 -ATOM 1141 C C . ILE A1 1 67 ? -22.849 13.529 -16.146 1.0 12.34 ? 57 A 1 -ATOM 1142 O O . ILE A1 1 67 ? -22.806 14.68 -16.586 1.0 12.7 ? 57 A 1 -ATOM 1143 C CB . ILE A1 1 67 ? -24.178 13.923 -14.024 1.0 13.42 ? 57 A 1 -ATOM 1144 C CG1 . ILE A1 1 67 ? -24.214 13.719 -12.525 1.0 14.6 ? 57 A 1 -ATOM 1145 C CG2 . ILE A1 1 67 ? -25.457 13.381 -14.681 1.0 14.97 ? 57 A 1 -ATOM 1146 C CD1 . ILE A1 1 67 ? -25.276 14.53 -11.811 1.0 16.1 ? 57 A 1 -ATOM 1147 H H . ILE A1 1 67 ? -21.606 14.611 -14.116 1.0 15.33 ? 57 A 1 -ATOM 1148 H HA . ILE A1 1 67 ? -23.012 12.306 -14.499 1.0 15.54 ? 57 A 1 -ATOM 1149 H HB . ILE A1 1 67 ? -24.124 14.877 -14.19 1.0 16.11 ? 57 A 1 -ATOM 1150 H HG12 . ILE A1 1 67 ? -24.39 12.782 -12.344 1.0 17.52 ? 57 A 1 -ATOM 1151 H HG13 . ILE A1 1 67 ? -23.354 13.972 -12.156 1.0 17.52 ? 57 A 1 -ATOM 1152 H HG21 . ILE A1 1 67 ? -26.228 13.792 -14.259 1.0 17.97 ? 57 A 1 -ATOM 1153 H HG22 . ILE A1 1 67 ? -25.443 13.599 -15.626 1.0 17.97 ? 57 A 1 -ATOM 1154 H HG23 . ILE A1 1 67 ? -25.489 12.419 -14.564 1.0 17.97 ? 57 A 1 -ATOM 1155 H HD11 . ILE A1 1 67 ? -25.146 14.446 -10.853 1.0 19.32 ? 57 A 1 -ATOM 1156 H HD12 . ILE A1 1 67 ? -25.195 15.459 -12.076 1.0 19.32 ? 57 A 1 -ATOM 1157 H HD13 . ILE A1 1 67 ? -26.151 14.191 -12.057 1.0 19.32 ? 57 A 1 -ATOM 1158 N N . GLU A1 1 68 ? -22.798 12.428 -16.918 1.0 12.47 ? 58 A 1 -ATOM 1159 C CA . GLU A1 1 68 ? -22.657 12.474 -18.382 1.0 12.62 ? 58 A 1 -ATOM 1160 C C . GLU A1 1 68 ? -24.074 12.393 -18.906 1.0 13.28 ? 58 A 1 -ATOM 1161 O O . GLU A1 1 68 ? -24.66 11.313 -19.023 1.0 14.3 ? 58 A 1 -ATOM 1162 C CB . GLU A1 1 68 ? -21.792 11.303 -18.837 1.0 13.32 ? 58 A 1 -ATOM 1163 C CG . GLU A1 1 68 ? -20.412 11.298 -18.23 1.0 14.9 ? 58 A 1 -ATOM 1164 C CD . GLU A1 1 68 ? -19.738 9.951 -18.162 1.0 17.79 ? 58 A 1 -ATOM 1165 O OE1 . GLU A1 1 68 ? -20.491 8.966 -17.981 1.0 19.87 ? 58 A 1 -ATOM 1166 O OE2 . GLU A1 1 68 ? -18.487 9.944 -18.049 1.0 18.94 ? 58 A 1 -ATOM 1167 H H . GLU A1 1 68 ? -22.844 11.627 -16.608 1.0 14.96 ? 58 A 1 -ATOM 1168 H HA . GLU A1 1 68 ? -22.239 13.291 -18.696 1.0 15.15 ? 58 A 1 -ATOM 1169 H HB2 . GLU A1 1 68 ? -22.23 10.475 -18.586 1.0 15.98 ? 58 A 1 -ATOM 1170 H HB3 . GLU A1 1 68 ? -21.692 11.346 -19.801 1.0 15.98 ? 58 A 1 -ATOM 1171 H HG2 . GLU A1 1 68 ? -19.843 11.879 -18.76 1.0 17.88 ? 58 A 1 -ATOM 1172 H HG3 . GLU A1 1 68 ? -20.476 11.635 -17.323 1.0 17.88 ? 58 A 1 -ATOM 1173 N N . PHE A1 1 69 ? -24.691 13.545 -19.114 1.0 13.59 ? 59 A 1 -ATOM 1174 C CA . PHE A1 1 69 ? -26.146 13.591 -19.161 1.0 13.32 ? 59 A 1 -ATOM 1175 C C . PHE A1 1 69 ? -26.756 13.395 -20.548 1.0 14.8 ? 59 A 1 -ATOM 1176 O O . PHE A1 1 69 ? -27.969 13.26 -20.668 1.0 14.31 ? 59 A 1 -ATOM 1177 C CB . PHE A1 1 69 ? -26.647 14.897 -18.494 1.0 13.66 ? 59 A 1 -ATOM 1178 C CG . PHE A1 1 69 ? -26.21 16.139 -19.191 1.0 13.82 ? 59 A 1 -ATOM 1179 C CD1 . PHE A1 1 69 ? -26.938 16.651 -20.262 1.0 14.13 ? 59 A 1 -ATOM 1180 C CD2 . PHE A1 1 69 ? -25.066 16.807 -18.809 1.0 14.64 ? 59 A 1 -ATOM 1181 C CE1 . PHE A1 1 69 ? -26.536 17.782 -20.91 1.0 14.31 ? 59 A 1 -ATOM 1182 C CE2 . PHE A1 1 69 ? -24.62 17.961 -19.457 1.0 13.27 ? 59 A 1 -ATOM 1183 C CZ . PHE A1 1 69 ? -25.381 18.43 -20.536 1.0 14.08 ? 59 A 1 -ATOM 1184 H H . PHE A1 1 69 ? -24.298 14.301 -19.23 1.0 16.31 ? 59 A 1 -ATOM 1185 H HA . PHE A1 1 69 ? -26.492 12.85 -18.639 1.0 15.99 ? 59 A 1 -ATOM 1186 H HB2 . PHE A1 1 69 ? -27.617 14.89 -18.486 1.0 16.39 ? 59 A 1 -ATOM 1187 H HB3 . PHE A1 1 69 ? -26.308 14.933 -17.586 1.0 16.39 ? 59 A 1 -ATOM 1188 H HD1 . PHE A1 1 69 ? -27.71 16.214 -20.54 1.0 16.96 ? 59 A 1 -ATOM 1189 H HD2 . PHE A1 1 69 ? -24.572 16.477 -18.093 1.0 17.57 ? 59 A 1 -ATOM 1190 H HE1 . PHE A1 1 69 ? -27.047 18.118 -21.61 1.0 17.18 ? 59 A 1 -ATOM 1191 H HE2 . PHE A1 1 69 ? -23.849 18.402 -19.183 1.0 15.93 ? 59 A 1 -ATOM 1192 H HZ . PHE A1 1 69 ? -25.104 19.184 -21.004 1.0 16.9 ? 59 A 1 -ATOM 1193 N N . SER A1 1 70 ? -25.925 13.436 -21.582 1.0 13.09 ? 60 A 1 -ATOM 1194 C CA . SER A1 1 70 ? -26.361 13.144 -22.946 1.0 13.3 ? 60 A 1 -ATOM 1195 C C . SER A1 1 70 ? -25.158 12.637 -23.702 1.0 12.5 ? 60 A 1 -ATOM 1196 O O . SER A1 1 70 ? -24.081 13.193 -23.58 1.0 13.47 ? 60 A 1 -ATOM 1197 C CB . SER A1 1 70 ? -26.885 14.432 -23.59 1.0 14.06 ? 60 A 1 -ATOM 1198 O OG . SER A1 1 70 ? -27.043 14.124 -25.006 1.0 14.73 ? 60 A 1 -ATOM 1199 H H . SER A1 1 70 ? -25.09 13.632 -21.522 1.0 15.7 ? 60 A 1 -ATOM 1200 H HA . SER A1 1 70 ? -27.055 12.467 -22.972 1.0 15.96 ? 60 A 1 -ATOM 1201 H HB2 . SER A1 1 70 ? -27.739 14.679 -23.202 1.0 16.87 ? 60 A 1 -ATOM 1202 H HB3 . SER A1 1 70 ? -26.246 15.152 -23.472 1.0 16.87 ? 60 A 1 -ATOM 1203 H HG . SER A1 1 70 ? -27.364 14.787 -25.409 1.0 17.68 ? 60 A 1 -ATOM 1204 N N . ASN A1 1 71 ? -25.354 11.615 -24.537 1.0 13.69 ? 61 A 1 -ATOM 1205 C CA . ASN A1 1 71 ? -24.301 11.149 -25.432 1.0 13.71 ? 61 A 1 -ATOM 1206 C C . ASN A1 1 71 ? -24.58 11.547 -26.874 1.0 14.61 ? 61 A 1 -ATOM 1207 O O . ASN A1 1 71 ? -23.942 10.982 -27.778 1.0 15.31 ? 61 A 1 -ATOM 1208 C CB . ASN A1 1 71 ? -24.052 9.647 -25.319 1.0 14.01 ? 61 A 1 -ATOM 1209 C CG . ASN A1 1 71 ? -25.134 8.824 -25.912 1.0 13.41 ? 61 A 1 -ATOM 1210 O OD1 . ASN A1 1 71 ? -26.19 9.329 -26.239 1.0 14.99 ? 61 A 1 -ATOM 1211 N ND2 . ASN A1 1 71 ? -24.938 7.504 -25.97 1.0 14.08 ? 61 A 1 -ATOM 1212 H H . ASN A1 1 71 ? -26.091 11.176 -24.601 1.0 16.43 ? 61 A 1 -ATOM 1213 H HA . ASN A1 1 71 ? -23.473 11.569 -25.15 1.0 16.45 ? 61 A 1 -ATOM 1214 H HB2 . ASN A1 1 71 ? -23.227 9.43 -25.781 1.0 16.81 ? 61 A 1 -ATOM 1215 H HB3 . ASN A1 1 71 ? -23.979 9.41 -24.381 1.0 16.81 ? 61 A 1 -ATOM 1216 H HD21 . ASN A1 1 71 ? -25.542 6.993 -26.307 1.0 16.89 ? 61 A 1 -ATOM 1217 H HD22 . ASN A1 1 71 ? -24.206 7.164 -25.67 1.0 16.89 ? 61 A 1 -ATOM 1218 N N . VAL A1 1 72 ? -25.455 12.516 -27.09 1.0 14.06 ? 62 A 1 -ATOM 1219 C CA . VAL A1 1 72 ? -25.731 13.037 -28.434 1.0 13.63 ? 62 A 1 -ATOM 1220 C C . VAL A1 1 72 ? -24.651 14.054 -28.739 1.0 14.16 ? 62 A 1 -ATOM 1221 O O . VAL A1 1 72 ? -24.392 14.973 -27.956 1.0 14.75 ? 62 A 1 -ATOM 1222 C CB . VAL A1 1 72 ? -27.089 13.705 -28.427 1.0 15.04 ? 62 A 1 -ATOM 1223 C CG1 . VAL A1 1 72 ? -27.377 14.4 -29.763 1.0 15.76 ? 62 A 1 -ATOM 1224 C CG2 . VAL A1 1 72 ? -28.182 12.69 -28.137 1.0 17.41 ? 62 A 1 -ATOM 1225 H H . VAL A1 1 72 ? -25.912 12.9 -26.471 1.0 16.87 ? 62 A 1 -ATOM 1226 H HA . VAL A1 1 72 ? -25.719 12.331 -29.099 1.0 16.35 ? 62 A 1 -ATOM 1227 H HB . VAL A1 1 72 ? -27.085 14.378 -27.729 1.0 18.04 ? 62 A 1 -ATOM 1228 H HG11 . VAL A1 1 72 ? -28.306 14.677 -29.78 1.0 18.92 ? 62 A 1 -ATOM 1229 H HG12 . VAL A1 1 72 ? -26.799 15.174 -29.847 1.0 18.92 ? 62 A 1 -ATOM 1230 H HG13 . VAL A1 1 72 ? -27.203 13.777 -30.486 1.0 18.92 ? 62 A 1 -ATOM 1231 H HG21 . VAL A1 1 72 ? -29.046 13.108 -28.28 1.0 20.89 ? 62 A 1 -ATOM 1232 H HG22 . VAL A1 1 72 ? -28.078 11.934 -28.735 1.0 20.89 ? 62 A 1 -ATOM 1233 H HG23 . VAL A1 1 72 ? -28.104 12.397 -27.216 1.0 20.89 ? 62 A 1 -ATOM 1234 N N . CYS A1 1 73 ? -24.05 13.958 -29.939 1.0 14.41 ? 63 A 1 -ATOM 1235 C CA . CYS A1 1 73 ? -23.058 14.927 -30.335 1.0 15.16 ? 63 A 1 -ATOM 1236 C C . CYS A1 1 73 ? -23.191 15.293 -31.811 1.0 14.66 ? 63 A 1 -ATOM 1237 O O . CYS A1 1 73 ? -23.315 14.421 -32.684 1.0 15.26 ? 63 A 1 -ATOM 1238 C CB . CYS A1 1 73 ? -21.603 14.453 -30.095 1.0 15.02 ? 63 A 1 -ATOM 1239 S SG . CYS A1 1 73 ? -20.438 15.815 -30.213 1.0 14.48 ? 63 A 1 -ATOM 1240 H H . CYS A1 1 73 ? -24.209 13.344 -30.519 1.0 17.3 ? 63 A 1 -ATOM 1241 H HA . CYS A1 1 73 ? -23.228 15.717 -29.799 1.0 18.2 ? 63 A 1 -ATOM 1242 H HB2 . CYS A1 1 73 ? -21.535 14.067 -29.207 1.0 18.03 ? 63 A 1 -ATOM 1243 H HB3 . CYS A1 1 73 ? -21.368 13.79 -30.763 1.0 18.03 ? 63 A 1 -ATOM 1244 N N . ARG A1 1 74 ? -23.11 16.59 -32.083 1.0 14.8 ? 64 A 1 -ATOM 1245 C CA . ARG A1 1 74 ? -23.112 17.116 -33.441 1.0 14.81 ? 64 A 1 -ATOM 1246 C C . ARG A1 1 74 ? -21.765 17.0 -34.127 1.0 14.23 ? 64 A 1 -ATOM 1247 O O . ARG A1 1 74 ? -21.734 17.159 -35.365 1.0 15.88 ? 64 A 1 -ATOM 1248 C CB . ARG A1 1 74 ? -23.569 18.578 -33.425 1.0 15.63 ? 64 A 1 -ATOM 1249 C CG . ARG A1 1 74 ? -22.613 19.534 -32.785 1.0 15.45 ? 64 A 1 -ATOM 1250 C CD . ARG A1 1 74 ? -23.148 20.904 -32.679 1.0 16.92 ? 64 A 1 -ATOM 1251 N NE . ARG A1 1 74 ? -22.25 21.772 -31.947 1.0 16.51 ? 64 A 1 -ATOM 1252 C CZ . ARG A1 1 74 ? -22.364 23.092 -31.867 1.0 19.43 ? 64 A 1 -ATOM 1253 N NH1 . ARG A1 1 74 ? -23.37 23.744 -32.489 1.0 21.87 ? 64 A 1 -ATOM 1254 N NH2 . ARG A1 1 74 ? -21.43 23.778 -31.212 1.0 19.85 ? 64 A 1 -ATOM 1255 H H . ARG A1 1 74 ? -23.053 17.203 -31.482 1.0 17.76 ? 64 A 1 -ATOM 1256 H HA . ARG A1 1 74 ? -23.746 16.611 -33.973 1.0 17.78 ? 64 A 1 -ATOM 1257 H HB2 . ARG A1 1 74 ? -23.699 18.868 -34.342 1.0 18.75 ? 64 A 1 -ATOM 1258 H HB3 . ARG A1 1 74 ? -24.405 18.632 -32.937 1.0 18.75 ? 64 A 1 -ATOM 1259 H HG2 . ARG A1 1 74 ? -22.41 19.224 -31.888 1.0 18.54 ? 64 A 1 -ATOM 1260 H HG3 . ARG A1 1 74 ? -21.801 19.571 -33.314 1.0 18.54 ? 64 A 1 -ATOM 1261 H HD2 . ARG A1 1 74 ? -23.268 21.271 -33.569 1.0 20.3 ? 64 A 1 -ATOM 1262 H HD3 . ARG A1 1 74 ? -23.998 20.881 -32.213 1.0 20.3 ? 64 A 1 -ATOM 1263 H HE . ARG A1 1 74 ? -21.592 21.405 -31.532 1.0 19.81 ? 64 A 1 -ATOM 1264 H HH11 . ARG A1 1 74 ? -23.95 23.304 -32.946 1.0 26.24 ? 64 A 1 -ATOM 1265 H HH12 . ARG A1 1 74 ? -23.43 24.6 -32.427 1.0 26.24 ? 64 A 1 -ATOM 1266 H HH21 . ARG A1 1 74 ? -20.769 23.365 -30.849 1.0 23.83 ? 64 A 1 -ATOM 1267 H HH22 . ARG A1 1 74 ? -21.489 24.633 -31.15 1.0 23.83 ? 64 A 1 -ATOM 1268 N N . LYS A1 1 75 ? -20.685 16.745 -33.422 1.0 14.49 ? 65 A 1 -ATOM 1269 C CA . LYS A1 1 75 ? -19.337 16.659 -33.993 1.0 15.88 ? 65 A 1 -ATOM 1270 C C . LYS A1 1 75 ? -18.981 15.206 -34.331 1.0 14.27 ? 65 A 1 -ATOM 1271 O O . LYS A1 1 75 ? -19.759 14.266 -34.097 1.0 15.73 ? 65 A 1 -ATOM 1272 C CB . LYS A1 1 75 ? -18.311 17.31 -33.064 1.0 15.35 ? 65 A 1 -ATOM 1273 C CG . LYS A1 1 75 ? -18.335 18.848 -33.196 1.0 16.35 ? 65 A 1 -ATOM 1274 C CD . LYS A1 1 75 ? -17.259 19.462 -32.282 1.0 16.49 ? 65 A 1 -ATOM 1275 C CE . LYS A1 1 75 ? -16.984 20.949 -32.582 1.0 17.47 ? 65 A 1 -ATOM 1276 N NZ . LYS A1 1 75 ? -18.213 21.791 -32.602 1.0 17.59 ? 65 A 1 -ATOM 1277 H H . LYS A1 1 75 ? -20.695 16.612 -32.573 1.0 17.39 ? 65 A 1 -ATOM 1278 H HA . LYS A1 1 75 ? -19.307 17.153 -34.827 1.0 19.06 ? 65 A 1 -ATOM 1279 H HB2 . LYS A1 1 75 ? -18.516 17.077 -32.145 1.0 18.42 ? 65 A 1 -ATOM 1280 H HB3 . LYS A1 1 75 ? -17.423 16.996 -33.295 1.0 18.42 ? 65 A 1 -ATOM 1281 H HG2 . LYS A1 1 75 ? -18.149 19.102 -34.113 1.0 19.62 ? 65 A 1 -ATOM 1282 H HG3 . LYS A1 1 75 ? -19.204 19.187 -32.928 1.0 19.62 ? 65 A 1 -ATOM 1283 H HD2 . LYS A1 1 75 ? -17.552 19.394 -31.36 1.0 19.78 ? 65 A 1 -ATOM 1284 H HD3 . LYS A1 1 75 ? -16.428 18.976 -32.403 1.0 19.78 ? 65 A 1 -ATOM 1285 H HE2 . LYS A1 1 75 ? -16.394 21.302 -31.898 1.0 20.97 ? 65 A 1 -ATOM 1286 H HE3 . LYS A1 1 75 ? -16.563 21.02 -33.453 1.0 20.97 ? 65 A 1 -ATOM 1287 H HZ1 . LYS A1 1 75 ? -18.001 22.635 -32.788 1.0 21.11 ? 65 A 1 -ATOM 1288 H HZ2 . LYS A1 1 75 ? -18.778 21.492 -33.221 1.0 21.11 ? 65 A 1 -ATOM 1289 H HZ3 . LYS A1 1 75 ? -18.614 21.763 -31.807 1.0 21.11 ? 65 A 1 -ATOM 1290 N N . ASN A1 1 76 ? -17.843 15.057 -34.982 1.0 15.29 ? 66 A 1 -ATOM 1291 C CA . ASN A1 1 76 ? -17.449 13.775 -35.579 1.0 15.71 ? 66 A 1 -ATOM 1292 C C . ASN A1 1 76 ? -15.965 13.479 -35.321 1.0 14.93 ? 66 A 1 -ATOM 1293 O O . ASN A1 1 76 ? -15.285 12.912 -36.193 1.0 15.97 ? 66 A 1 -ATOM 1294 C CB . ASN A1 1 76 ? -17.732 13.816 -37.091 1.0 15.52 ? 66 A 1 -ATOM 1295 C CG . ASN A1 1 76 ? -18.064 12.449 -37.697 1.0 16.48 ? 66 A 1 -ATOM 1296 O OD1 . ASN A1 1 76 ? -18.525 11.543 -37.025 1.0 16.62 ? 66 A 1 -ATOM 1297 N ND2 . ASN A1 1 76 ? -17.797 12.305 -38.977 1.0 18.35 ? 66 A 1 -ATOM 1298 H H . ASN A1 1 76 ? -17.269 15.687 -35.098 1.0 18.34 ? 66 A 1 -ATOM 1299 H HA . ASN A1 1 76 ? -17.955 13.058 -35.166 1.0 18.85 ? 66 A 1 -ATOM 1300 H HB2 . ASN A1 1 76 ? -18.488 14.402 -37.251 1.0 18.62 ? 66 A 1 -ATOM 1301 H HB3 . ASN A1 1 76 ? -16.946 14.158 -37.546 1.0 18.62 ? 66 A 1 -ATOM 1302 H HD21 . ASN A1 1 76 ? -17.963 11.558 -39.37 1.0 22.02 ? 66 A 1 -ATOM 1303 H HD22 . ASN A1 1 76 ? -17.456 12.958 -39.421 1.0 22.02 ? 66 A 1 -ATOM 1304 N N . CYS A1 1 77 ? -15.457 13.838 -34.14 1.0 14.33 ? 67 A 1 -ATOM 1305 C CA . CYS A1 1 77 ? -14.054 13.619 -33.832 1.0 13.89 ? 67 A 1 -ATOM 1306 C C . CYS A1 1 77 ? -13.665 12.175 -34.108 1.0 14.31 ? 67 A 1 -ATOM 1307 O O . CYS A1 1 77 ? -14.381 11.248 -33.721 1.0 15.41 ? 67 A 1 -ATOM 1308 C CB . CYS A1 1 77 ? -13.769 13.993 -32.387 1.0 13.78 ? 67 A 1 -ATOM 1309 S SG . CYS A1 1 77 ? -14.334 15.672 -31.912 1.0 15.24 ? 67 A 1 -ATOM 1310 H H . CYS A1 1 77 ? -15.906 14.207 -33.506 1.0 17.19 ? 67 A 1 -ATOM 1311 H HA . CYS A1 1 77 ? -13.505 14.186 -34.395 1.0 16.67 ? 67 A 1 -ATOM 1312 H HB2 . CYS A1 1 77 ? -14.219 13.358 -31.809 1.0 16.54 ? 67 A 1 -ATOM 1313 H HB3 . CYS A1 1 77 ? -12.811 13.954 -32.241 1.0 16.54 ? 67 A 1 -ATOM 1314 N N . LEU A1 1 78 ? -12.509 11.989 -34.738 1.0 14.47 ? 68 A 1 -ATOM 1315 C CA . LEU A1 1 78 ? -12.139 10.668 -35.238 1.0 15.23 ? 68 A 1 -ATOM 1316 C C . LEU A1 1 78 ? -11.861 9.688 -34.124 1.0 15.3 ? 68 A 1 -ATOM 1317 O O . LEU A1 1 78 ? -11.983 8.489 -34.319 1.0 15.55 ? 68 A 1 -ATOM 1318 C CB . LEU A1 1 78 ? -10.916 10.73 -36.172 1.0 15.24 ? 68 A 1 -ATOM 1319 C CG . LEU A1 1 78 ? -11.251 10.982 -37.646 1.0 18.47 ? 68 A 1 -ATOM 1320 C CD1 . LEU A1 1 78 ? -11.939 12.314 -37.89 1.0 20.04 ? 68 A 1 -ATOM 1321 C CD2 . LEU A1 1 78 ? -10.004 10.867 -38.518 1.0 18.49 ? 68 A 1 -ATOM 1322 H H . LEU A1 1 78 ? -11.927 12.603 -34.889 1.0 17.37 ? 68 A 1 -ATOM 1323 H HA . LEU A1 1 78 ? -12.894 10.348 -35.756 1.0 18.28 ? 68 A 1 -ATOM 1324 H HB2 . LEU A1 1 78 ? -10.339 11.45 -35.875 1.0 18.29 ? 68 A 1 -ATOM 1325 H HB3 . LEU A1 1 78 ? -10.445 9.884 -36.119 1.0 18.29 ? 68 A 1 -ATOM 1326 H HG . LEU A1 1 78 ? -11.885 10.295 -37.906 1.0 22.16 ? 68 A 1 -ATOM 1327 H HD11 . LEU A1 1 78 ? -12.12 12.407 -38.838 1.0 24.05 ? 68 A 1 -ATOM 1328 H HD12 . LEU A1 1 78 ? -12.77 12.337 -37.39 1.0 24.05 ? 68 A 1 -ATOM 1329 H HD13 . LEU A1 1 78 ? -11.355 13.03 -37.593 1.0 24.05 ? 68 A 1 -ATOM 1330 H HD21 . LEU A1 1 78 ? -10.252 11.015 -39.444 1.0 22.19 ? 68 A 1 -ATOM 1331 H HD22 . LEU A1 1 78 ? -9.36 11.535 -38.237 1.0 22.19 ? 68 A 1 -ATOM 1332 H HD23 . LEU A1 1 78 ? -9.627 9.979 -38.414 1.0 22.19 ? 68 A 1 -ATOM 1333 N N . TYR A1 1 79 ? -11.476 10.172 -32.961 1.0 14.81 ? 69 A 1 -ATOM 1334 C CA . TYR A1 1 79 ? -11.12 9.296 -31.835 1.0 14.2 ? 69 A 1 -ATOM 1335 C C . TYR A1 1 79 ? -12.317 8.868 -31.001 1.0 14.35 ? 69 A 1 -ATOM 1336 O O . TYR A1 1 79 ? -12.185 7.929 -30.166 1.0 14.68 ? 69 A 1 -ATOM 1337 C CB . TYR A1 1 79 ? -10.05 9.971 -30.967 1.0 14.19 ? 69 A 1 -ATOM 1338 C CG . TYR A1 1 79 ? -10.389 11.418 -30.619 1.0 13.33 ? 69 A 1 -ATOM 1339 C CD1 . TYR A1 1 79 ? -11.264 11.756 -29.596 1.0 14.16 ? 69 A 1 -ATOM 1340 C CD2 . TYR A1 1 79 ? -9.779 12.463 -31.305 1.0 13.87 ? 69 A 1 -ATOM 1341 C CE1 . TYR A1 1 79 ? -11.557 13.099 -29.308 1.0 13.38 ? 69 A 1 -ATOM 1342 C CE2 . TYR A1 1 79 ? -10.066 13.749 -31.021 1.0 15.1 ? 69 A 1 -ATOM 1343 C CZ . TYR A1 1 79 ? -10.934 14.087 -30.037 1.0 14.55 ? 69 A 1 -ATOM 1344 O OH . TYR A1 1 79 ? -11.175 15.447 -29.804 1.0 16.65 ? 69 A 1 -ATOM 1345 H H . TYR A1 1 79 ? -11.409 11.011 -32.785 1.0 17.78 ? 69 A 1 -ATOM 1346 H HA . TYR A1 1 79 ? -10.726 8.478 -32.176 1.0 17.04 ? 69 A 1 -ATOM 1347 H HB2 . TYR A1 1 79 ? -9.96 9.477 -30.137 1.0 17.03 ? 69 A 1 -ATOM 1348 H HB3 . TYR A1 1 79 ? -9.208 9.969 -31.448 1.0 17.03 ? 69 A 1 -ATOM 1349 H HD1 . TYR A1 1 79 ? -11.663 11.083 -29.093 1.0 16.99 ? 69 A 1 -ATOM 1350 H HD2 . TYR A1 1 79 ? -9.161 12.271 -31.974 1.0 16.64 ? 69 A 1 -ATOM 1351 H HE1 . TYR A1 1 79 ? -12.162 13.318 -28.636 1.0 16.05 ? 69 A 1 -ATOM 1352 H HE2 . TYR A1 1 79 ? -9.656 14.423 -31.513 1.0 18.12 ? 69 A 1 -ATOM 1353 H HH . TYR A1 1 79 ? -11.772 15.537 -29.221 1.0 19.98 ? 69 A 1 -ATOM 1354 N N . CYS A1 1 80 ? -13.44 9.558 -31.052 1.0 13.93 ? 70 A 1 -ATOM 1355 C CA . CYS A1 1 80 ? -14.444 9.474 -29.999 1.0 13.99 ? 70 A 1 -ATOM 1356 C C . CYS A1 1 80 ? -15.599 8.564 -30.367 1.0 12.82 ? 70 A 1 -ATOM 1357 O O . CYS A1 1 80 ? -16.193 8.71 -31.427 1.0 14.65 ? 70 A 1 -ATOM 1358 C CB . CYS A1 1 80 ? -14.962 10.878 -29.743 1.0 14.33 ? 70 A 1 -ATOM 1359 S SG . CYS A1 1 80 ? -16.178 10.968 -28.388 1.0 14.41 ? 70 A 1 -ATOM 1360 H H . CYS A1 1 80 ? -13.651 10.09 -31.694 1.0 16.72 ? 70 A 1 -ATOM 1361 H HA . CYS A1 1 80 ? -14.046 9.085 -29.204 1.0 16.79 ? 70 A 1 -ATOM 1362 H HB2 . CYS A1 1 80 ? -14.213 11.45 -29.509 1.0 17.19 ? 70 A 1 -ATOM 1363 H HB3 . CYS A1 1 80 ? -15.39 11.205 -30.549 1.0 17.19 ? 70 A 1 -ATOM 1364 N N . GLY A1 1 81 ? -15.978 7.649 -29.451 1.0 13.51 ? 71 A 1 -ATOM 1365 C CA . GLY A1 1 81 ? -17.103 6.788 -29.705 1.0 14.64 ? 71 A 1 -ATOM 1366 C C . GLY A1 1 81 ? -18.435 7.519 -29.861 1.0 14.03 ? 71 A 1 -ATOM 1367 O O . GLY A1 1 81 ? -19.379 6.932 -30.411 1.0 16.44 ? 71 A 1 -ATOM 1368 H H . GLY A1 1 81 ? -15.593 7.525 -28.692 1.0 16.21 ? 71 A 1 -ATOM 1369 H HA2 . GLY A1 1 81 ? -16.939 6.291 -30.522 1.0 17.57 ? 71 A 1 -ATOM 1370 H HA3 . GLY A1 1 81 ? -17.191 6.163 -28.968 1.0 17.57 ? 71 A 1 -ATOM 1371 N N . LEU A1 1 82 ? -18.542 8.764 -29.372 1.0 13.94 ? 72 A 1 -ATOM 1372 C CA . LEU A1 1 82 ? -19.793 9.497 -29.512 1.0 14.29 ? 72 A 1 -ATOM 1373 C C . LEU A1 1 82 ? -19.908 10.238 -30.829 1.0 14.57 ? 72 A 1 -ATOM 1374 O O . LEU A1 1 82 ? -20.944 10.904 -31.084 1.0 15.22 ? 72 A 1 -ATOM 1375 C CB . LEU A1 1 82 ? -20.003 10.504 -28.368 1.0 13.53 ? 72 A 1 -ATOM 1376 C CG . LEU A1 1 82 ? -19.868 9.926 -26.962 1.0 17.76 ? 72 A 1 -ATOM 1377 C CD1 . LEU A1 1 82 ? -20.347 10.991 -25.926 1.0 15.96 ? 72 A 1 -ATOM 1378 C CD2 . LEU A1 1 82 ? -20.527 8.652 -26.782 1.0 20.61 ? 72 A 1 -ATOM 1379 H H . LEU A1 1 82 ? -17.914 9.189 -28.965 1.0 16.73 ? 72 A 1 -ATOM 1380 H HA . LEU A1 1 82 ? -20.505 8.841 -29.456 1.0 17.14 ? 72 A 1 -ATOM 1381 H HB2 . LEU A1 1 82 ? -19.343 11.209 -28.457 1.0 16.24 ? 72 A 1 -ATOM 1382 H HB3 . LEU A1 1 82 ? -20.896 10.873 -28.446 1.0 16.24 ? 72 A 1 -ATOM 1383 H HG . LEU A1 1 82 ? -18.932 9.724 -26.805 1.0 21.31 ? 72 A 1 -ATOM 1384 H HD11 . LEU A1 1 82 ? -20.244 10.631 -25.032 1.0 19.15 ? 72 A 1 -ATOM 1385 H HD12 . LEU A1 1 82 ? -19.808 11.792 -26.024 1.0 19.15 ? 72 A 1 -ATOM 1386 H HD13 . LEU A1 1 82 ? -21.279 11.198 -26.094 1.0 19.15 ? 72 A 1 -ATOM 1387 H HD21 . LEU A1 1 82 ? -20.551 8.439 -25.836 1.0 24.73 ? 72 A 1 -ATOM 1388 H HD22 . LEU A1 1 82 ? -21.431 8.712 -27.13 1.0 24.73 ? 72 A 1 -ATOM 1389 H HD23 . LEU A1 1 82 ? -20.032 7.97 -27.263 1.0 24.73 ? 72 A 1 -ATOM 1390 N N . ARG A1 1 83 ? -18.894 10.175 -31.672 1.0 13.87 ? 73 A 1 -ATOM 1391 C CA . ARG A1 1 83 ? -18.962 10.878 -32.945 1.0 14.47 ? 73 A 1 -ATOM 1392 C C . ARG A1 1 83 ? -20.258 10.555 -33.666 1.0 15.01 ? 73 A 1 -ATOM 1393 O O . ARG A1 1 83 ? -20.778 9.445 -33.618 1.0 15.17 ? 73 A 1 -ATOM 1394 C CB . ARG A1 1 83 ? -17.749 10.51 -33.799 1.0 14.25 ? 73 A 1 -ATOM 1395 C CG . ARG A1 1 83 ? -17.697 9.063 -34.302 1.0 15.26 ? 73 A 1 -ATOM 1396 C CD . ARG A1 1 83 ? -16.281 8.646 -34.728 1.0 14.85 ? 73 A 1 -ATOM 1397 N NE . ARG A1 1 83 ? -15.746 9.59 -35.684 1.0 15.74 ? 73 A 1 -ATOM 1398 C CZ . ARG A1 1 83 ? -15.89 9.532 -36.996 1.0 15.66 ? 73 A 1 -ATOM 1399 N NH1 . ARG A1 1 83 ? -16.485 8.512 -37.58 1.0 16.69 ? 73 A 1 -ATOM 1400 N NH2 . ARG A1 1 83 ? -15.342 10.484 -37.733 1.0 18.07 ? 73 A 1 -ATOM 1401 H H . ARG A1 1 83 ? -18.165 9.739 -31.536 1.0 16.64 ? 73 A 1 -ATOM 1402 H HA . ARG A1 1 83 ? -18.943 11.837 -32.797 1.0 17.37 ? 73 A 1 -ATOM 1403 H HB2 . ARG A1 1 83 ? -17.742 11.085 -34.58 1.0 17.1 ? 73 A 1 -ATOM 1404 H HB3 . ARG A1 1 83 ? -16.949 10.659 -33.271 1.0 17.1 ? 73 A 1 -ATOM 1405 H HG2 . ARG A1 1 83 ? -17.986 8.469 -33.591 1.0 18.31 ? 73 A 1 -ATOM 1406 H HG3 . ARG A1 1 83 ? -18.282 8.972 -35.07 1.0 18.31 ? 73 A 1 -ATOM 1407 H HD2 . ARG A1 1 83 ? -15.7 8.627 -33.951 1.0 17.82 ? 73 A 1 -ATOM 1408 H HD3 . ARG A1 1 83 ? -16.311 7.768 -35.141 1.0 17.82 ? 73 A 1 -ATOM 1409 H HE . ARG A1 1 83 ? -15.294 10.251 -35.37 1.0 18.89 ? 73 A 1 -ATOM 1410 H HH11 . ARG A1 1 83 ? -16.791 7.863 -37.106 1.0 20.03 ? 73 A 1 -ATOM 1411 H HH12 . ARG A1 1 83 ? -16.567 8.495 -38.436 1.0 20.03 ? 73 A 1 -ATOM 1412 H HH21 . ARG A1 1 83 ? -14.905 11.122 -37.356 1.0 21.68 ? 73 A 1 -ATOM 1413 H HH22 . ARG A1 1 83 ? -15.422 10.466 -38.589 1.0 21.68 ? 73 A 1 -ATOM 1414 N N . ARG A1 1 84 ? -20.794 11.553 -34.345 1.0 14.7 ? 74 A 1 -ATOM 1415 C CA . ARG A1 1 84 ? -22.117 11.399 -34.938 1.0 16.31 ? 74 A 1 -ATOM 1416 C C . ARG A1 1 84 ? -22.19 10.263 -35.952 1.0 17.61 ? 74 A 1 -ATOM 1417 O O . ARG A1 1 84 ? -23.254 9.669 -36.119 1.0 17.79 ? 74 A 1 -ATOM 1418 C CB . ARG A1 1 84 ? -22.572 12.714 -35.597 1.0 16.4 ? 74 A 1 -ATOM 1419 C CG . ARG A1 1 84 ? -21.778 13.146 -36.79 1.0 18.14 ? 74 A 1 -ATOM 1420 C CD . ARG A1 1 84 ? -22.313 14.448 -37.433 1.0 19.42 ? 74 A 1 -ATOM 1421 N NE . ARG A1 1 84 ? -21.499 14.684 -38.618 1.0 19.31 ? 74 A 1 -ATOM 1422 C CZ . ARG A1 1 84 ? -20.47 15.55 -38.675 1.0 18.91 ? 74 A 1 -ATOM 1423 N NH1 . ARG A1 1 84 ? -20.164 16.363 -37.654 1.0 19.12 ? 74 A 1 -ATOM 1424 N NH2 . ARG A1 1 84 ? -19.702 15.554 -39.792 1.0 19.61 ? 74 A 1 -ATOM 1425 H H . ARG A1 1 84 ? -20.423 12.318 -34.477 1.0 17.64 ? 74 A 1 -ATOM 1426 H HA . ARG A1 1 84 ? -22.731 11.187 -34.217 1.0 19.57 ? 74 A 1 -ATOM 1427 H HB2 . ARG A1 1 84 ? -23.492 12.608 -35.885 1.0 19.68 ? 74 A 1 -ATOM 1428 H HB3 . ARG A1 1 84 ? -22.51 13.422 -34.937 1.0 19.68 ? 74 A 1 -ATOM 1429 H HG2 . ARG A1 1 84 ? -20.86 13.303 -36.518 1.0 21.76 ? 74 A 1 -ATOM 1430 H HG3 . ARG A1 1 84 ? -21.81 12.446 -37.461 1.0 21.76 ? 74 A 1 -ATOM 1431 H HD2 . ARG A1 1 84 ? -23.242 14.343 -37.691 1.0 23.3 ? 74 A 1 -ATOM 1432 H HD3 . ARG A1 1 84 ? -22.221 15.194 -36.82 1.0 23.3 ? 74 A 1 -ATOM 1433 H HE . ARG A1 1 84 ? -21.688 14.239 -39.33 1.0 23.17 ? 74 A 1 -ATOM 1434 H HH11 . ARG A1 1 84 ? -20.631 16.341 -36.932 1.0 22.94 ? 74 A 1 -ATOM 1435 H HH12 . ARG A1 1 84 ? -19.5 16.906 -37.721 1.0 22.94 ? 74 A 1 -ATOM 1436 H HH21 . ARG A1 1 84 ? -19.879 15.014 -40.437 1.0 23.54 ? 74 A 1 -ATOM 1437 H HH22 . ARG A1 1 84 ? -19.039 16.097 -39.856 1.0 23.54 ? 74 A 1 -ATOM 1438 N N . ASP A1 1 85 ? -21.08 9.941 -36.615 1.0 16.53 ? 75 A 1 -ATOM 1439 C CA . ASP A1 1 85 ? -21.121 8.846 -37.59 1.0 18.15 ? 75 A 1 -ATOM 1440 C C . ASP A1 1 85 ? -21.168 7.458 -36.959 1.0 18.43 ? 75 A 1 -ATOM 1441 O O . ASP A1 1 85 ? -21.384 6.484 -37.686 1.0 19.96 ? 75 A 1 -ATOM 1442 C CB . ASP A1 1 85 ? -19.951 8.937 -38.567 1.0 17.92 ? 75 A 1 -ATOM 1443 C CG . ASP A1 1 85 ? -20.131 9.955 -39.651 1.0 22.01 ? 75 A 1 -ATOM 1444 O OD1 . ASP A1 1 85 ? -21.228 10.518 -39.746 1.0 23.76 ? 75 A 1 -ATOM 1445 O OD2 . ASP A1 1 85 ? -19.163 10.122 -40.432 1.0 21.74 ? 75 A 1 -ATOM 1446 H H . ASP A1 1 85 ? -20.317 10.325 -36.522 1.0 19.83 ? 75 A 1 -ATOM 1447 H HA . ASP A1 1 85 ? -21.936 8.953 -38.106 1.0 21.78 ? 75 A 1 -ATOM 1448 H HB2 . ASP A1 1 85 ? -19.151 9.173 -38.072 1.0 21.5 ? 75 A 1 -ATOM 1449 H HB3 . ASP A1 1 85 ? -19.835 8.073 -38.993 1.0 21.5 ? 75 A 1 -ATOM 1450 N N . ASN A1 1 86 ? -21.003 7.302 -35.672 1.0 18.38 ? 76 A 1 -ATOM 1451 C CA . ASN A1 1 86 ? -21.101 5.984 -35.017 1.0 17.57 ? 76 A 1 -ATOM 1452 C C . ASN A1 1 86 ? -22.558 5.644 -34.813 1.0 20.12 ? 76 A 1 -ATOM 1453 O O . ASN A1 1 86 ? -23.203 6.083 -33.86 1.0 20.09 ? 76 A 1 -ATOM 1454 C CB . ASN A1 1 86 ? -20.365 5.984 -33.695 1.0 17.52 ? 76 A 1 -ATOM 1455 C CG . ASN A1 1 86 ? -20.488 4.657 -32.986 1.0 19.65 ? 76 A 1 -ATOM 1456 O OD1 . ASN A1 1 86 ? -20.999 3.673 -33.586 1.0 22.43 ? 76 A 1 -ATOM 1457 N ND2 . ASN A1 1 86 ? -20.082 4.594 -31.751 1.0 18.76 ? 76 A 1 -ATOM 1458 H H . ASN A1 1 86 ? -20.83 7.946 -35.129 1.0 22.05 ? 76 A 1 -ATOM 1459 H HA . ASN A1 1 86 ? -20.705 5.32 -35.603 1.0 21.09 ? 76 A 1 -ATOM 1460 H HB2 . ASN A1 1 86 ? -19.424 6.159 -33.852 1.0 21.03 ? 76 A 1 -ATOM 1461 H HB3 . ASN A1 1 86 ? -20.739 6.671 -33.121 1.0 21.03 ? 76 A 1 -ATOM 1462 H HD21 . ASN A1 1 86 ? -20.138 3.854 -31.318 1.0 22.52 ? 76 A 1 -ATOM 1463 H HD22 . ASN A1 1 86 ? -19.759 5.293 -31.369 1.0 22.52 ? 76 A 1 -ATOM 1464 N N . LYS A1 1 87 ? -23.133 4.904 -35.747 1.0 20.15 ? 77 A 1 -ATOM 1465 C CA . LYS A1 1 87 ? -24.521 4.505 -35.635 1.0 22.31 ? 77 A 1 -ATOM 1466 C C . LYS A1 1 87 ? -24.721 3.262 -34.775 1.0 21.09 ? 77 A 1 -ATOM 1467 O O . LYS A1 1 87 ? -25.875 2.879 -34.567 1.0 28.77 ? 77 A 1 -ATOM 1468 C CB . LYS A1 1 87 ? -25.125 4.283 -37.033 1.0 26.86 ? 77 A 1 -ATOM 1469 C CG . LYS A1 1 87 ? -24.921 5.409 -37.985 1.0 27.3 ? 77 A 1 -ATOM 1470 C CD . LYS A1 1 87 ? -25.397 6.763 -37.475 1.0 63.69 ? 77 A 1 -ATOM 1471 C CE . LYS A1 1 87 ? -25.074 7.879 -38.475 1.0 84.3 ? 77 A 1 -ATOM 1472 N NZ . LYS A1 1 87 ? -25.661 9.193 -38.086 1.0 76.04 ? 77 A 1 -ATOM 1473 H H . LYS A1 1 87 ? -22.739 4.62 -36.457 1.0 24.18 ? 77 A 1 -ATOM 1474 H HA . LYS A1 1 87 ? -25.015 5.227 -35.216 1.0 26.77 ? 77 A 1 -ATOM 1475 H HB2 . LYS A1 1 87 ? -24.717 3.494 -37.422 1.0 32.23 ? 77 A 1 -ATOM 1476 H HB3 . LYS A1 1 87 ? -26.081 4.15 -36.938 1.0 32.23 ? 77 A 1 -ATOM 1477 H HG2 . LYS A1 1 87 ? -23.973 5.486 -38.176 1.0 32.76 ? 77 A 1 -ATOM 1478 H HG3 . LYS A1 1 87 ? -25.409 5.217 -38.802 1.0 32.76 ? 77 A 1 -ATOM 1479 H HD2 . LYS A1 1 87 ? -26.358 6.738 -37.344 1.0 76.43 ? 77 A 1 -ATOM 1480 H HD3 . LYS A1 1 87 ? -24.953 6.965 -36.636 1.0 76.43 ? 77 A 1 -ATOM 1481 H HE2 . LYS A1 1 87 ? -24.111 7.985 -38.53 1.0 101.16 ? 77 A 1 -ATOM 1482 H HE3 . LYS A1 1 87 ? -25.43 7.637 -39.344 1.0 101.16 ? 77 A 1 -ATOM 1483 H HZ1 . LYS A1 1 87 ? -25.444 9.813 -38.686 1.0 91.25 ? 77 A 1 -ATOM 1484 H HZ2 . LYS A1 1 87 ? -26.548 9.13 -38.044 1.0 91.25 ? 77 A 1 -ATOM 1485 H HZ3 . LYS A1 1 87 ? -25.351 9.441 -37.29 1.0 91.25 ? 77 A 1 -ATOM 1486 N N A ASN A1 1 88 ? -23.665 2.597 -34.297 0.5 25.78 ? 78 A 1 -ATOM 1487 N N B ASN A1 1 88 ? -23.62 2.631 -34.295 0.5 18.86 ? 78 A 1 -ATOM 1488 C CA A ASN A1 1 88 ? -23.857 1.389 -33.476 0.5 22.56 ? 78 A 1 -ATOM 1489 C CA B ASN A1 1 88 ? -23.63 1.427 -33.458 0.5 23.5 ? 78 A 1 -ATOM 1490 C C A ASN A1 1 88 ? -24.401 1.764 -32.088 0.5 21.89 ? 78 A 1 -ATOM 1491 C C B ASN A1 1 88 ? -23.695 1.752 -31.968 0.5 23.67 ? 78 A 1 -ATOM 1492 O O A ASN A1 1 88 ? -25.16 1.005 -31.472 0.5 28.45 ? 78 A 1 -ATOM 1493 O O B ASN A1 1 88 ? -23.135 1.016 -31.149 0.5 28.08 ? 78 A 1 -ATOM 1494 C CB A ASN A1 1 88 ? -22.504 0.648 -33.422 0.5 23.87 ? 78 A 1 -ATOM 1495 C CB B ASN A1 1 88 ? -22.361 0.591 -33.667 0.5 31.48 ? 78 A 1 -ATOM 1496 C CG A ASN A1 1 88 ? -22.593 -0.811 -32.996 0.5 29.29 ? 78 A 1 -ATOM 1497 C CG B ASN A1 1 88 ? -22.286 -0.061 -35.017 0.5 33.48 ? 78 A 1 -ATOM 1498 O OD1 A ASN A1 1 88 ? -23.619 -1.461 -33.129 0.5 30.1 ? 78 A 1 -ATOM 1499 O OD1 B ASN A1 1 88 ? -23.304 -0.253 -35.687 0.5 41.53 ? 78 A 1 -ATOM 1500 N ND2 A ASN A1 1 88 ? -21.459 -1.347 -32.532 0.5 28.16 ? 78 A 1 -ATOM 1501 N ND2 B ASN A1 1 88 ? -21.067 -0.426 -35.422 0.5 40.74 ? 78 A 1 -ATOM 1502 H H A ASN A1 1 88 ? -22.844 2.815 -34.428 0.5 30.93 ? 78 A 1 -ATOM 1503 H H B ASN A1 1 88 ? -22.82 2.904 -34.455 0.5 22.64 ? 78 A 1 -ATOM 1504 H HA A ASN A1 1 88 ? -24.507 0.779 -33.859 0.5 27.08 ? 78 A 1 -ATOM 1505 H HA B ASN A1 1 88 ? -24.407 0.914 -33.732 0.5 28.19 ? 78 A 1 -ATOM 1506 H HB2 A ASN A1 1 88 ? -22.105 0.67 -34.306 0.5 28.64 ? 78 A 1 -ATOM 1507 H HB2 B ASN A1 1 88 ? -21.587 1.168 -33.574 0.5 37.78 ? 78 A 1 -ATOM 1508 H HB3 A ASN A1 1 88 ? -21.928 1.103 -32.787 0.5 28.64 ? 78 A 1 -ATOM 1509 H HB3 B ASN A1 1 88 ? -22.335 -0.111 -32.998 0.5 37.78 ? 78 A 1 -ATOM 1510 H HD21 A ASN A1 1 88 ? -21.445 -2.168 -32.275 0.5 33.8 ? 78 A 1 -ATOM 1511 H HD21 B ASN A1 1 88 ? -20.963 -0.804 -36.188 0.5 48.88 ? 78 A 1 -ATOM 1512 H HD22 A ASN A1 1 88 ? -20.744 -0.871 -32.489 0.5 33.8 ? 78 A 1 -ATOM 1513 H HD22 B ASN A1 1 88 ? -20.385 -0.283 -34.918 0.5 48.88 ? 78 A 1 -ATOM 1514 N N A LEU A1 1 89 ? -24.096 2.948 -31.62 0.41 25.62 ? 79 A 1 -ATOM 1515 N N B LEU A1 1 89 ? -24.305 2.866 -31.603 0.59 21.49 ? 79 A 1 -ATOM 1516 C CA A LEU A1 1 89 ? -24.366 3.305 -30.24 0.41 19.82 ? 79 A 1 -ATOM 1517 C CA B LEU A1 1 89 ? -24.377 3.295 -30.211 0.59 20.75 ? 79 A 1 -ATOM 1518 C C A LEU A1 1 89 ? -25.819 3.749 -30.034 0.41 16.97 ? 79 A 1 -ATOM 1519 C C B LEU A1 1 89 ? -25.766 3.837 -29.956 0.59 22.62 ? 79 A 1 -ATOM 1520 O O A LEU A1 1 89 ? -26.38 4.497 -30.839 0.41 20.31 ? 79 A 1 -ATOM 1521 O O B LEU A1 1 89 ? -26.188 4.778 -30.646 0.59 21.0 ? 79 A 1 -ATOM 1522 C CB . LEU A1 1 89 ? -23.384 4.415 -29.919 1.0 20.59 ? 79 A 1 -ATOM 1523 C CG . LEU A1 1 89 ? -23.366 4.875 -28.459 1.0 20.2 ? 79 A 1 -ATOM 1524 C CD1 . LEU A1 1 89 ? -22.958 3.73 -27.503 1.0 21.62 ? 79 A 1 -ATOM 1525 C CD2 . LEU A1 1 89 ? -22.428 6.025 -28.346 1.0 20.41 ? 79 A 1 -ATOM 1526 H H A LEU A1 1 89 ? -23.728 3.573 -32.081 0.5 30.75 ? 79 A 1 -ATOM 1527 H H B LEU A1 1 89 ? -24.694 3.403 -32.151 0.5 25.79 ? 79 A 1 -ATOM 1528 H HA A LEU A1 1 89 ? -24.257 2.555 -29.634 0.41 23.79 ? 79 A 1 -ATOM 1529 H HA B LEU A1 1 89 ? -24.192 2.532 -29.642 0.59 24.9 ? 79 A 1 -ATOM 1530 H HB2 A LEU A1 1 89 ? -22.491 4.104 -30.135 0.41 24.7 ? 79 A 1 -ATOM 1531 H HB2 B LEU A1 1 89 ? -22.493 4.103 -30.14 0.59 24.7 ? 79 A 1 -ATOM 1532 H HB3 A LEU A1 1 89 ? -23.608 5.186 -30.463 0.41 24.7 ? 79 A 1 -ATOM 1533 H HB3 B LEU A1 1 89 ? -23.613 5.182 -30.466 0.59 24.7 ? 79 A 1 -ATOM 1534 H HG . LEU A1 1 89 ? -24.256 5.148 -28.188 1.0 24.24 ? 79 A 1 -ATOM 1535 H HD11 . LEU A1 1 89 ? -22.819 4.095 -26.615 1.0 25.94 ? 79 A 1 -ATOM 1536 H HD12 . LEU A1 1 89 ? -23.668 3.069 -27.482 1.0 25.94 ? 79 A 1 -ATOM 1537 H HD13 . LEU A1 1 89 ? -22.139 3.325 -27.827 1.0 25.94 ? 79 A 1 -ATOM 1538 H HD21 . LEU A1 1 89 ? -22.401 6.321 -27.423 1.0 24.49 ? 79 A 1 -ATOM 1539 H HD22 . LEU A1 1 89 ? -21.544 5.741 -28.628 1.0 24.49 ? 79 A 1 -ATOM 1540 H HD23 . LEU A1 1 89 ? -22.741 6.745 -28.916 1.0 24.49 ? 79 A 1 -ATOM 1541 N N . LYS A1 1 90 ? -26.444 3.292 -28.952 1.0 19.55 ? 80 A 1 -ATOM 1542 C CA . LYS A1 1 90 ? -27.749 3.816 -28.57 1.0 19.16 ? 80 A 1 -ATOM 1543 C C . LYS A1 1 90 ? -27.542 5.194 -27.911 1.0 17.18 ? 80 A 1 -ATOM 1544 O O . LYS A1 1 90 ? -26.717 5.379 -27.034 1.0 17.73 ? 80 A 1 -ATOM 1545 C CB . LYS A1 1 90 ? -28.427 2.855 -27.586 1.0 20.38 ? 80 A 1 -ATOM 1546 C CG . LYS A1 1 90 ? -29.758 3.355 -27.028 1.0 27.39 ? 80 A 1 -ATOM 1547 C CD . LYS A1 1 90 ? -30.847 3.366 -28.04 1.0 68.87 ? 80 A 1 -ATOM 1548 C CE . LYS A1 1 90 ? -32.201 3.651 -27.4 1.0 54.25 ? 80 A 1 -ATOM 1549 N NZ . LYS A1 1 90 ? -33.222 3.847 -28.464 1.0 93.55 ? 80 A 1 -ATOM 1550 H HA . LYS A1 1 90 ? -28.325 3.908 -29.345 1.0 22.99 ? 80 A 1 -ATOM 1551 H HB2 . LYS A1 1 90 ? -28.597 2.015 -28.04 1.0 24.45 ? 80 A 1 -ATOM 1552 H HB3 . LYS A1 1 90 ? -27.83 2.711 -26.834 1.0 24.45 ? 80 A 1 -ATOM 1553 H HG2 . LYS A1 1 90 ? -30.033 2.775 -26.3 1.0 32.86 ? 80 A 1 -ATOM 1554 H HG3 . LYS A1 1 90 ? -29.643 4.262 -26.704 1.0 32.86 ? 80 A 1 -ATOM 1555 H HD2 . LYS A1 1 90 ? -30.669 4.057 -28.697 1.0 82.65 ? 80 A 1 -ATOM 1556 H HD3 . LYS A1 1 90 ? -30.892 2.5 -28.474 1.0 82.65 ? 80 A 1 -ATOM 1557 H HE2 . LYS A1 1 90 ? -32.467 2.901 -26.845 1.0 65.1 ? 80 A 1 -ATOM 1558 H HE3 . LYS A1 1 90 ? -32.148 4.458 -26.864 1.0 65.1 ? 80 A 1 -ATOM 1559 H HZ1 . LYS A1 1 90 ? -34.016 4.009 -28.097 1.0 112.27 ? 80 A 1 -ATOM 1560 H HZ2 . LYS A1 1 90 ? -32.996 4.537 -28.979 1.0 112.27 ? 80 A 1 -ATOM 1561 H HZ3 . LYS A1 1 90 ? -33.28 3.117 -28.969 1.0 112.27 ? 80 A 1 -ATOM 1562 N N . ARG A1 1 91 ? -28.304 6.176 -28.349 1.0 16.95 ? 81 A 1 -ATOM 1563 C CA . ARG A1 1 91 ? -28.193 7.527 -27.832 1.0 16.38 ? 81 A 1 -ATOM 1564 C C . ARG A1 1 91 ? -29.261 7.78 -26.774 1.0 16.3 ? 81 A 1 -ATOM 1565 O O . ARG A1 1 91 ? -30.337 7.185 -26.774 1.0 18.37 ? 81 A 1 -ATOM 1566 C CB . ARG A1 1 91 ? -28.31 8.5 -29.004 1.0 17.48 ? 81 A 1 -ATOM 1567 C CG . ARG A1 1 91 ? -27.266 8.255 -30.107 1.0 18.08 ? 81 A 1 -ATOM 1568 C CD . ARG A1 1 91 ? -25.897 8.677 -29.715 1.0 18.13 ? 81 A 1 -ATOM 1569 N NE . ARG A1 1 91 ? -24.977 8.354 -30.825 1.0 17.18 ? 81 A 1 -ATOM 1570 C CZ . ARG A1 1 91 ? -23.824 8.933 -31.028 1.0 17.88 ? 81 A 1 -ATOM 1571 N NH1 . ARG A1 1 91 ? -23.393 9.904 -30.245 1.0 16.98 ? 81 A 1 -ATOM 1572 N NH2 . ARG A1 1 91 ? -23.06 8.552 -32.077 1.0 18.16 ? 81 A 1 -ATOM 1573 H H . ARG A1 1 91 ? -28.906 6.085 -28.957 1.0 20.35 ? 81 A 1 -ATOM 1574 H HA . ARG A1 1 91 ? -27.342 7.674 -27.391 1.0 19.66 ? 81 A 1 -ATOM 1575 H HB2 . ARG A1 1 91 ? -29.19 8.408 -29.402 1.0 20.97 ? 81 A 1 -ATOM 1576 H HB3 . ARG A1 1 91 ? -28.189 9.404 -28.675 1.0 20.97 ? 81 A 1 -ATOM 1577 H HG2 . ARG A1 1 91 ? -27.238 7.306 -30.31 1.0 21.69 ? 81 A 1 -ATOM 1578 H HG3 . ARG A1 1 91 ? -27.518 8.756 -30.898 1.0 21.69 ? 81 A 1 -ATOM 1579 H HD2 . ARG A1 1 91 ? -25.877 9.634 -29.552 1.0 21.76 ? 81 A 1 -ATOM 1580 H HD3 . ARG A1 1 91 ? -25.616 8.2 -28.918 1.0 21.76 ? 81 A 1 -ATOM 1581 H HE . ARG A1 1 91 ? -25.218 7.741 -31.377 1.0 20.62 ? 81 A 1 -ATOM 1582 H HH11 . ARG A1 1 91 ? -23.875 10.169 -29.583 1.0 20.37 ? 81 A 1 -ATOM 1583 H HH12 . ARG A1 1 91 ? -22.63 10.272 -30.396 1.0 20.37 ? 81 A 1 -ATOM 1584 H HH21 . ARG A1 1 91 ? -23.334 7.932 -32.606 1.0 21.79 ? 81 A 1 -ATOM 1585 H HH22 . ARG A1 1 91 ? -22.3 8.93 -32.215 1.0 21.79 ? 81 A 1 -ATOM 1586 N N . TYR A1 1 92 ? -28.919 8.672 -25.85 1.0 15.62 ? 82 A 1 -ATOM 1587 C CA . TYR A1 1 92 ? -29.819 9.028 -24.769 1.0 15.92 ? 82 A 1 -ATOM 1588 C C . TYR A1 1 92 ? -29.619 10.489 -24.401 1.0 14.19 ? 82 A 1 -ATOM 1589 O O . TYR A1 1 92 ? -28.598 11.122 -24.662 1.0 14.75 ? 82 A 1 -ATOM 1590 C CB . TYR A1 1 92 ? -29.522 8.187 -23.478 1.0 14.89 ? 82 A 1 -ATOM 1591 C CG . TYR A1 1 92 ? -28.219 8.54 -22.795 1.0 14.99 ? 82 A 1 -ATOM 1592 C CD1 . TYR A1 1 92 ? -27.031 7.891 -23.142 1.0 15.54 ? 82 A 1 -ATOM 1593 C CD2 . TYR A1 1 92 ? -28.145 9.526 -21.815 1.0 15.45 ? 82 A 1 -ATOM 1594 C CE1 . TYR A1 1 92 ? -25.829 8.206 -22.543 1.0 14.69 ? 82 A 1 -ATOM 1595 C CE2 . TYR A1 1 92 ? -26.927 9.887 -21.215 1.0 13.92 ? 82 A 1 -ATOM 1596 C CZ . TYR A1 1 92 ? -25.778 9.216 -21.569 1.0 14.31 ? 82 A 1 -ATOM 1597 O OH . TYR A1 1 92 ? -24.555 9.481 -21.008 1.0 14.7 ? 82 A 1 -ATOM 1598 H H . TYR A1 1 92 ? -28.166 9.085 -25.831 1.0 18.74 ? 82 A 1 -ATOM 1599 H HA . TYR A1 1 92 ? -30.728 8.882 -25.077 1.0 19.11 ? 82 A 1 -ATOM 1600 H HB2 . TYR A1 1 92 ? -30.238 8.334 -22.84 1.0 17.87 ? 82 A 1 -ATOM 1601 H HB3 . TYR A1 1 92 ? -29.482 7.249 -23.722 1.0 17.87 ? 82 A 1 -ATOM 1602 H HD1 . TYR A1 1 92 ? -27.052 7.229 -23.795 1.0 18.65 ? 82 A 1 -ATOM 1603 H HD2 . TYR A1 1 92 ? -28.924 9.959 -21.549 1.0 18.53 ? 82 A 1 -ATOM 1604 H HE1 . TYR A1 1 92 ? -25.054 7.75 -22.784 1.0 17.63 ? 82 A 1 -ATOM 1605 H HE2 . TYR A1 1 92 ? -26.897 10.571 -20.586 1.0 16.71 ? 82 A 1 -ATOM 1606 H HH . TYR A1 1 92 ? -24.616 10.133 -20.481 1.0 17.64 ? 82 A 1 -ATOM 1607 N N . ARG A1 1 93 ? -30.651 11.003 -23.745 1.0 15.64 ? 83 A 1 -ATOM 1608 C CA . ARG A1 1 93 ? -30.632 12.292 -23.071 1.0 16.36 ? 83 A 1 -ATOM 1609 C C . ARG A1 1 93 ? -31.374 12.172 -21.775 1.0 16.74 ? 83 A 1 -ATOM 1610 O O . ARG A1 1 93 ? -32.48 11.657 -21.732 1.0 17.71 ? 83 A 1 -ATOM 1611 C CB . ARG A1 1 93 ? -31.494 13.302 -23.869 1.0 22.41 ? 83 A 1 -ATOM 1612 C CG . ARG A1 1 93 ? -30.876 13.75 -25.12 1.0 22.02 ? 83 A 1 -ATOM 1613 C CD . ARG A1 1 93 ? -31.826 14.719 -25.785 1.0 22.22 ? 83 A 1 -ATOM 1614 N NE . ARG A1 1 93 ? -31.118 15.293 -26.878 1.0 18.23 ? 83 A 1 -ATOM 1615 C CZ . ARG A1 1 93 ? -31.615 15.475 -28.082 1.0 19.48 ? 83 A 1 -ATOM 1616 N NH1 . ARG A1 1 93 ? -32.829 15.058 -28.405 1.0 20.36 ? 83 A 1 -ATOM 1617 N NH2 . ARG A1 1 93 ? -30.874 16.069 -28.985 1.0 18.83 ? 83 A 1 -ATOM 1618 H H . ARG A1 1 93 ? -31.41 10.605 -23.672 1.0 18.77 ? 83 A 1 -ATOM 1619 H HA . ARG A1 1 93 ? -29.711 12.572 -22.95 1.0 19.64 ? 83 A 1 -ATOM 1620 H HB2 . ARG A1 1 93 ? -32.34 12.883 -24.091 1.0 26.89 ? 83 A 1 -ATOM 1621 H HB3 . ARG A1 1 93 ? -31.647 14.086 -23.318 1.0 26.89 ? 83 A 1 -ATOM 1622 H HG2 . ARG A1 1 93 ? -30.036 14.199 -24.937 1.0 26.43 ? 83 A 1 -ATOM 1623 H HG3 . ARG A1 1 93 ? -30.726 12.994 -25.709 1.0 26.43 ? 83 A 1 -ATOM 1624 H HD2 . ARG A1 1 93 ? -32.611 14.255 -26.113 1.0 26.67 ? 83 A 1 -ATOM 1625 H HD3 . ARG A1 1 93 ? -32.088 15.417 -25.164 1.0 26.67 ? 83 A 1 -ATOM 1626 H HE . ARG A1 1 93 ? -30.305 15.539 -26.741 1.0 21.88 ? 83 A 1 -ATOM 1627 H HH11 . ARG A1 1 93 ? -33.315 14.655 -27.821 1.0 24.43 ? 83 A 1 -ATOM 1628 H HH12 . ARG A1 1 93 ? -33.132 15.189 -29.199 1.0 24.43 ? 83 A 1 -ATOM 1629 H HH21 . ARG A1 1 93 ? -30.08 16.331 -28.784 1.0 22.59 ? 83 A 1 -ATOM 1630 H HH22 . ARG A1 1 93 ? -31.182 16.197 -29.777 1.0 22.59 ? 83 A 1 -ATOM 1631 N N . MET A1 1 94 ? -30.788 12.74 -20.714 1.0 15.23 ? 84 A 1 -ATOM 1632 C CA . MET A1 1 94 ? -31.452 12.822 -19.399 1.0 15.13 ? 84 A 1 -ATOM 1633 C C . MET A1 1 94 ? -32.308 14.07 -19.314 1.0 15.62 ? 84 A 1 -ATOM 1634 O O . MET A1 1 94 ? -31.917 15.138 -19.811 1.0 16.74 ? 84 A 1 -ATOM 1635 C CB . MET A1 1 94 ? -30.413 12.845 -18.289 1.0 14.98 ? 84 A 1 -ATOM 1636 C CG . MET A1 1 94 ? -29.632 11.567 -18.21 1.0 15.5 ? 84 A 1 -ATOM 1637 S SD . MET A1 1 94 ? -28.323 11.539 -16.929 1.0 15.81 ? 84 A 1 -ATOM 1638 C CE . MET A1 1 94 ? -29.273 11.667 -15.41 1.0 16.82 ? 84 A 1 -ATOM 1639 H H . MET A1 1 94 ? -30.002 13.088 -20.727 1.0 18.28 ? 84 A 1 -ATOM 1640 H HA . MET A1 1 94 ? -32.017 12.043 -19.28 1.0 18.15 ? 84 A 1 -ATOM 1641 H HB2 . MET A1 1 94 ? -29.79 13.57 -18.453 1.0 17.98 ? 84 A 1 -ATOM 1642 H HB3 . MET A1 1 94 ? -30.86 12.979 -17.439 1.0 17.98 ? 84 A 1 -ATOM 1643 H HG2 . MET A1 1 94 ? -30.247 10.843 -18.013 1.0 18.6 ? 84 A 1 -ATOM 1644 H HG3 . MET A1 1 94 ? -29.204 11.415 -19.067 1.0 18.6 ? 84 A 1 -ATOM 1645 H HE1 . MET A1 1 94 ? -28.666 11.633 -14.654 1.0 20.18 ? 84 A 1 -ATOM 1646 H HE2 . MET A1 1 94 ? -29.756 12.508 -15.409 1.0 20.18 ? 84 A 1 -ATOM 1647 H HE3 . MET A1 1 94 ? -29.898 10.926 -15.365 1.0 20.18 ? 84 A 1 -ATOM 1648 N N . THR A1 1 95 ? -33.43 13.973 -18.637 1.0 17.11 ? 85 A 1 -ATOM 1649 C CA . THR A1 1 95 ? -34.204 15.158 -18.413 1.0 16.78 ? 85 A 1 -ATOM 1650 C C . THR A1 1 95 ? -33.522 16.062 -17.385 1.0 18.12 ? 85 A 1 -ATOM 1651 O O . THR A1 1 95 ? -32.725 15.6 -16.557 1.0 17.78 ? 85 A 1 -ATOM 1652 C CB . THR A1 1 95 ? -35.608 14.811 -17.893 1.0 18.59 ? 85 A 1 -ATOM 1653 O OG1 . THR A1 1 95 ? -35.473 14.24 -16.592 1.0 19.1 ? 85 A 1 -ATOM 1654 C CG2 . THR A1 1 95 ? -36.39 13.835 -18.775 1.0 20.46 ? 85 A 1 -ATOM 1655 H H . THR A1 1 95 ? -33.754 13.248 -18.307 1.0 20.53 ? 85 A 1 -ATOM 1656 H HA . THR A1 1 95 ? -34.288 15.63 -19.256 1.0 20.14 ? 85 A 1 -ATOM 1657 H HB . THR A1 1 95 ? -36.126 15.631 -17.887 1.0 22.31 ? 85 A 1 -ATOM 1658 H HG1 . THR A1 1 95 ? -35.815 14.75 -16.018 1.0 22.92 ? 85 A 1 -ATOM 1659 H HG21 . THR A1 1 95 ? -37.261 13.661 -18.385 1.0 24.55 ? 85 A 1 -ATOM 1660 H HG22 . THR A1 1 95 ? -36.511 14.212 -19.661 1.0 24.55 ? 85 A 1 -ATOM 1661 H HG23 . THR A1 1 95 ? -35.906 12.998 -18.853 1.0 24.55 ? 85 A 1 -ATOM 1662 N N . PRO A1 1 96 ? -33.929 17.326 -17.332 1.0 18.46 ? 86 A 1 -ATOM 1663 C CA . PRO A1 1 96 ? -33.405 18.186 -16.265 1.0 19.91 ? 86 A 1 -ATOM 1664 C C . PRO A1 1 96 ? -33.725 17.657 -14.881 1.0 21.3 ? 86 A 1 -ATOM 1665 O O . PRO A1 1 96 ? -32.847 17.719 -13.998 1.0 20.85 ? 86 A 1 -ATOM 1666 C CB . PRO A1 1 96 ? -34.046 19.553 -16.558 1.0 22.04 ? 86 A 1 -ATOM 1667 C CG . PRO A1 1 96 ? -34.35 19.533 -18.042 1.0 23.86 ? 86 A 1 -ATOM 1668 C CD . PRO A1 1 96 ? -34.649 18.111 -18.372 1.0 21.99 ? 86 A 1 -ATOM 1669 H HA . PRO A1 1 96 ? -32.444 18.285 -16.35 1.0 23.89 ? 86 A 1 -ATOM 1670 H HB2 . PRO A1 1 96 ? -34.859 19.655 -16.039 1.0 26.45 ? 86 A 1 -ATOM 1671 H HB3 . PRO A1 1 96 ? -33.422 20.263 -16.341 1.0 26.45 ? 86 A 1 -ATOM 1672 H HG2 . PRO A1 1 96 ? -35.117 20.097 -18.227 1.0 28.63 ? 86 A 1 -ATOM 1673 H HG3 . PRO A1 1 96 ? -33.579 19.847 -18.539 1.0 28.63 ? 86 A 1 -ATOM 1674 H HD2 . PRO A1 1 96 ? -35.603 17.944 -18.325 1.0 26.39 ? 86 A 1 -ATOM 1675 H HD3 . PRO A1 1 96 ? -34.317 17.89 -19.256 1.0 26.39 ? 86 A 1 -ATOM 1676 N N . GLU A1 1 97 ? -34.913 17.095 -14.678 1.0 20.88 ? 87 A 1 -ATOM 1677 C CA . GLU A1 1 97 ? -35.248 16.53 -13.376 1.0 23.25 ? 87 A 1 -ATOM 1678 C C . GLU A1 1 97 ? -34.32 15.384 -13.028 1.0 22.29 ? 87 A 1 -ATOM 1679 O O . GLU A1 1 97 ? -33.896 15.249 -11.868 1.0 22.46 ? 87 A 1 -ATOM 1680 C CB . GLU A1 1 97 ? -36.726 16.062 -13.378 1.0 24.95 ? 87 A 1 -ATOM 1681 C CG . GLU A1 1 97 ? -37.172 15.456 -12.039 1.0 28.58 ? 87 A 1 -ATOM 1682 C CD . GLU A1 1 97 ? -37.193 13.916 -11.941 1.0 45.22 ? 87 A 1 -ATOM 1683 O OE1 . GLU A1 1 97 ? -37.011 13.143 -12.932 1.0 28.91 ? 87 A 1 -ATOM 1684 O OE2 . GLU A1 1 97 ? -37.407 13.448 -10.804 1.0 52.28 ? 87 A 1 -ATOM 1685 H H . GLU A1 1 97 ? -35.535 17.029 -15.269 1.0 25.06 ? 87 A 1 -ATOM 1686 H HA . GLU A1 1 97 ? -35.146 17.214 -12.696 1.0 27.9 ? 87 A 1 -ATOM 1687 H HB2 . GLU A1 1 97 ? -37.296 16.824 -13.565 1.0 29.94 ? 87 A 1 -ATOM 1688 H HB3 . GLU A1 1 97 ? -36.839 15.385 -14.064 1.0 29.94 ? 87 A 1 -ATOM 1689 H HG2 . GLU A1 1 97 ? -36.568 15.774 -11.349 1.0 34.3 ? 87 A 1 -ATOM 1690 H HG3 . GLU A1 1 97 ? -38.074 15.762 -11.857 1.0 34.3 ? 87 A 1 -ATOM 1691 N N . GLU A1 1 98 ? -34.071 14.482 -13.981 1.0 20.18 ? 88 A 1 -ATOM 1692 C CA . GLU A1 1 98 ? -33.161 13.373 -13.714 1.0 19.89 ? 88 A 1 -ATOM 1693 C C . GLU A1 1 98 ? -31.803 13.903 -13.314 1.0 18.11 ? 88 A 1 -ATOM 1694 O O . GLU A1 1 98 ? -31.186 13.405 -12.387 1.0 18.98 ? 88 A 1 -ATOM 1695 C CB . GLU A1 1 98 ? -33.014 12.467 -14.946 1.0 19.19 ? 88 A 1 -ATOM 1696 C CG . GLU A1 1 98 ? -34.106 11.498 -15.15 1.0 21.43 ? 88 A 1 -ATOM 1697 C CD . GLU A1 1 98 ? -33.849 10.736 -16.427 1.0 24.23 ? 88 A 1 -ATOM 1698 O OE1 . GLU A1 1 98 ? -33.757 11.338 -17.533 1.0 22.3 ? 88 A 1 -ATOM 1699 O OE2 . GLU A1 1 98 ? -33.855 9.489 -16.373 1.0 26.44 ? 88 A 1 -ATOM 1700 H H . GLU A1 1 98 ? -34.409 14.491 -14.772 1.0 24.21 ? 88 A 1 -ATOM 1701 H HA . GLU A1 1 98 ? -33.532 12.837 -12.996 1.0 23.87 ? 88 A 1 -ATOM 1702 H HB2 . GLU A1 1 98 ? -32.975 13.028 -15.736 1.0 23.03 ? 88 A 1 -ATOM 1703 H HB3 . GLU A1 1 98 ? -32.192 11.961 -14.857 1.0 23.03 ? 88 A 1 -ATOM 1704 H HG2 . GLU A1 1 98 ? -34.137 10.873 -14.409 1.0 25.72 ? 88 A 1 -ATOM 1705 H HG3 . GLU A1 1 98 ? -34.953 11.965 -15.226 1.0 25.72 ? 88 A 1 -ATOM 1706 N N . ILE A1 1 99 ? -31.31 14.899 -14.045 1.0 16.94 ? 89 A 1 -ATOM 1707 C CA . ILE A1 1 99 ? -29.969 15.431 -13.787 1.0 17.09 ? 89 A 1 -ATOM 1708 C C . ILE A1 1 99 ? -29.89 16.103 -12.414 1.0 15.71 ? 89 A 1 -ATOM 1709 O O . ILE A1 1 99 ? -28.961 15.853 -11.647 1.0 16.59 ? 89 A 1 -ATOM 1710 C CB . ILE A1 1 99 ? -29.544 16.386 -14.905 1.0 15.41 ? 89 A 1 -ATOM 1711 C CG1 . ILE A1 1 99 ? -29.521 15.7 -16.272 1.0 15.57 ? 89 A 1 -ATOM 1712 C CG2 . ILE A1 1 99 ? -28.183 17.005 -14.57 1.0 15.85 ? 89 A 1 -ATOM 1713 C CD1 . ILE A1 1 99 ? -29.507 16.642 -17.451 1.0 15.94 ? 89 A 1 -ATOM 1714 H H . ILE A1 1 99 ? -31.725 15.283 -14.692 1.0 20.33 ? 89 A 1 -ATOM 1715 H HA . ILE A1 1 99 ? -29.353 14.682 -13.777 1.0 20.5 ? 89 A 1 -ATOM 1716 H HB . ILE A1 1 99 ? -30.208 17.091 -14.961 1.0 18.49 ? 89 A 1 -ATOM 1717 H HG12 . ILE A1 1 99 ? -28.724 15.151 -16.328 1.0 18.69 ? 89 A 1 -ATOM 1718 H HG13 . ILE A1 1 99 ? -30.313 15.145 -16.352 1.0 18.69 ? 89 A 1 -ATOM 1719 H HG21 . ILE A1 1 99 ? -27.815 17.411 -15.371 1.0 19.02 ? 89 A 1 -ATOM 1720 H HG22 . ILE A1 1 99 ? -28.303 17.679 -13.883 1.0 19.02 ? 89 A 1 -ATOM 1721 H HG23 . ILE A1 1 99 ? -27.59 16.308 -14.249 1.0 19.02 ? 89 A 1 -ATOM 1722 H HD11 . ILE A1 1 99 ? -29.593 16.127 -18.268 1.0 19.13 ? 89 A 1 -ATOM 1723 H HD12 . ILE A1 1 99 ? -30.25 17.26 -17.37 1.0 19.13 ? 89 A 1 -ATOM 1724 H HD13 . ILE A1 1 99 ? -28.669 17.131 -17.454 1.0 19.13 ? 89 A 1 -ATOM 1725 N N . VAL A1 1 100 ? -30.836 16.987 -12.131 1.0 16.79 ? 90 A 1 -ATOM 1726 C CA . VAL A1 1 100 ? -30.813 17.704 -10.843 1.0 17.53 ? 90 A 1 -ATOM 1727 C C . VAL A1 1 100 ? -30.925 16.727 -9.695 1.0 17.23 ? 90 A 1 -ATOM 1728 O O . VAL A1 1 100 ? -30.188 16.839 -8.684 1.0 17.2 ? 90 A 1 -ATOM 1729 C CB . VAL A1 1 100 ? -31.91 18.774 -10.819 1.0 17.86 ? 90 A 1 -ATOM 1730 C CG1 . VAL A1 1 100 ? -32.101 19.362 -9.426 1.0 19.56 ? 90 A 1 -ATOM 1731 C CG2 . VAL A1 1 100 ? -31.616 19.875 -11.823 1.0 20.33 ? 90 A 1 -ATOM 1732 H H . VAL A1 1 100 ? -31.492 17.192 -12.648 1.0 20.15 ? 90 A 1 -ATOM 1733 H HA . VAL A1 1 100 ? -29.962 18.159 -10.746 1.0 21.04 ? 90 A 1 -ATOM 1734 H HB . VAL A1 1 100 ? -32.743 18.343 -11.069 1.0 21.44 ? 90 A 1 -ATOM 1735 H HG11 . VAL A1 1 100 ? -32.625 20.175 -9.496 1.0 23.47 ? 90 A 1 -ATOM 1736 H HG12 . VAL A1 1 100 ? -32.566 18.716 -8.872 1.0 23.47 ? 90 A 1 -ATOM 1737 H HG13 . VAL A1 1 100 ? -31.232 19.56 -9.045 1.0 23.47 ? 90 A 1 -ATOM 1738 H HG21 . VAL A1 1 100 ? -32.33 20.53 -11.79 1.0 24.39 ? 90 A 1 -ATOM 1739 H HG22 . VAL A1 1 100 ? -30.772 20.293 -11.594 1.0 24.39 ? 90 A 1 -ATOM 1740 H HG23 . VAL A1 1 100 ? -31.563 19.487 -12.71 1.0 24.39 ? 90 A 1 -ATOM 1741 N N . GLU A1 1 101 ? -31.857 15.771 -9.782 1.0 17.42 ? 91 A 1 -ATOM 1742 C CA . GLU A1 1 101 ? -32.002 14.834 -8.655 1.0 19.21 ? 91 A 1 -ATOM 1743 C C . GLU A1 1 101 ? -30.795 13.934 -8.482 1.0 18.69 ? 91 A 1 -ATOM 1744 O O . GLU A1 1 101 ? -30.398 13.577 -7.36 1.0 19.18 ? 91 A 1 -ATOM 1745 C CB . GLU A1 1 101 ? -33.324 14.059 -8.787 1.0 21.48 ? 91 A 1 -ATOM 1746 C CG . GLU A1 1 101 ? -34.532 14.953 -8.603 1.0 25.57 ? 91 A 1 -ATOM 1747 C CD . GLU A1 1 101 ? -34.43 15.831 -7.335 1.0 35.3 ? 91 A 1 -ATOM 1748 O OE1 . GLU A1 1 101 ? -34.153 15.286 -6.237 1.0 28.5 ? 91 A 1 -ATOM 1749 O OE2 . GLU A1 1 101 ? -34.551 17.071 -7.472 1.0 34.9 ? 91 A 1 -ATOM 1750 H H . GLU A1 1 101 ? -32.391 15.647 -10.445 1.0 20.9 ? 91 A 1 -ATOM 1751 H HA . GLU A1 1 101 ? -32.06 15.337 -7.828 1.0 23.05 ? 91 A 1 -ATOM 1752 H HB2 . GLU A1 1 101 ? -33.373 13.662 -9.671 1.0 25.78 ? 91 A 1 -ATOM 1753 H HB3 . GLU A1 1 101 ? -33.354 13.365 -8.11 1.0 25.78 ? 91 A 1 -ATOM 1754 H HG2 . GLU A1 1 101 ? -34.612 15.54 -9.371 1.0 30.69 ? 91 A 1 -ATOM 1755 H HG3 . GLU A1 1 101 ? -35.326 14.401 -8.524 1.0 30.69 ? 91 A 1 -ATOM 1756 N N . ARG A1 1 102 ? -30.167 13.552 -9.581 1.0 17.85 ? 92 A 1 -ATOM 1757 C CA . ARG A1 1 102 ? -28.951 12.768 -9.49 1.0 17.65 ? 92 A 1 -ATOM 1758 C C . ARG A1 1 102 ? -27.815 13.566 -8.894 1.0 16.65 ? 92 A 1 -ATOM 1759 O O . ARG A1 1 102 ? -27.04 13.053 -8.062 1.0 17.54 ? 92 A 1 -ATOM 1760 C CB . ARG A1 1 102 ? -28.602 12.215 -10.868 1.0 17.86 ? 92 A 1 -ATOM 1761 C CG . ARG A1 1 102 ? -27.485 11.262 -10.881 1.0 18.98 ? 92 A 1 -ATOM 1762 C CD . ARG A1 1 102 ? -27.745 9.949 -10.188 1.0 19.95 ? 92 A 1 -ATOM 1763 N NE . ARG A1 1 102 ? -26.622 9.087 -10.366 1.0 19.6 ? 92 A 1 -ATOM 1764 C CZ . ARG A1 1 102 ? -26.511 7.851 -9.915 1.0 19.2 ? 92 A 1 -ATOM 1765 N NH1 . ARG A1 1 102 ? -27.499 7.247 -9.294 1.0 21.48 ? 92 A 1 -ATOM 1766 N NH2 . ARG A1 1 102 ? -25.399 7.229 -10.235 1.0 21.52 ? 92 A 1 -ATOM 1767 H H . ARG A1 1 102 ? -30.421 13.73 -10.383 1.0 21.42 ? 92 A 1 -ATOM 1768 H HA . ARG A1 1 102 ? -29.097 12.014 -8.897 1.0 21.18 ? 92 A 1 -ATOM 1769 H HB2 . ARG A1 1 102 ? -29.38 11.757 -11.222 1.0 21.44 ? 92 A 1 -ATOM 1770 H HB3 . ARG A1 1 102 ? -28.361 12.955 -11.446 1.0 21.44 ? 92 A 1 -ATOM 1771 H HG2 . ARG A1 1 102 ? -27.264 11.062 -11.804 1.0 22.77 ? 92 A 1 -ATOM 1772 H HG3 . ARG A1 1 102 ? -26.726 11.675 -10.44 1.0 22.77 ? 92 A 1 -ATOM 1773 H HD2 . ARG A1 1 102 ? -27.878 10.099 -9.239 1.0 23.94 ? 92 A 1 -ATOM 1774 H HD3 . ARG A1 1 102 ? -28.529 9.526 -10.571 1.0 23.94 ? 92 A 1 -ATOM 1775 H HE . ARG A1 1 102 ? -25.955 9.401 -10.809 1.0 23.52 ? 92 A 1 -ATOM 1776 H HH11 . ARG A1 1 102 ? -28.245 7.658 -9.172 1.0 25.77 ? 92 A 1 -ATOM 1777 H HH12 . ARG A1 1 102 ? -27.4 6.442 -9.01 1.0 25.77 ? 92 A 1 -ATOM 1778 H HH21 . ARG A1 1 102 ? -24.804 7.629 -10.709 1.0 25.83 ? 92 A 1 -ATOM 1779 H HH22 . ARG A1 1 102 ? -25.266 6.421 -9.971 1.0 25.83 ? 92 A 1 -ATOM 1780 N N . ALA A1 1 103 ? -27.717 14.828 -9.251 1.0 15.86 ? 93 A 1 -ATOM 1781 C CA . ALA A1 1 103 ? -26.745 15.715 -8.631 1.0 15.06 ? 93 A 1 -ATOM 1782 C C . ALA A1 1 103 ? -27.015 15.856 -7.142 1.0 16.83 ? 93 A 1 -ATOM 1783 O O . ALA A1 1 103 ? -26.067 15.788 -6.347 1.0 16.4 ? 93 A 1 -ATOM 1784 C CB . ALA A1 1 103 ? -26.761 17.09 -9.275 1.0 16.52 ? 93 A 1 -ATOM 1785 H H . ALA A1 1 103 ? -28.201 15.205 -9.854 1.0 19.03 ? 93 A 1 -ATOM 1786 H HA . ALA A1 1 103 ? -25.865 15.331 -8.768 1.0 18.08 ? 93 A 1 -ATOM 1787 H HB1 . ALA A1 1 103 ? -26.107 17.654 -8.832 1.0 19.82 ? 93 A 1 -ATOM 1788 H HB2 . ALA A1 1 103 ? -26.537 17.001 -10.215 1.0 19.82 ? 93 A 1 -ATOM 1789 H HB3 . ALA A1 1 103 ? -27.647 17.473 -9.18 1.0 19.82 ? 93 A 1 -ATOM 1790 N N . ARG A1 1 104 ? -28.281 16.01 -6.75 1.0 15.59 ? 94 A 1 -ATOM 1791 C CA . ARG A1 1 104 ? -28.584 16.096 -5.321 1.0 17.86 ? 94 A 1 -ATOM 1792 C C . ARG A1 1 104 ? -28.084 14.869 -4.575 1.0 17.77 ? 94 A 1 -ATOM 1793 O O . ARG A1 1 104 ? -27.555 14.987 -3.463 1.0 17.57 ? 94 A 1 -ATOM 1794 C CB . ARG A1 1 104 ? -30.09 16.259 -5.188 1.0 18.79 ? 94 A 1 -ATOM 1795 C CG . ARG A1 1 104 ? -30.51 16.538 -3.763 1.0 19.86 ? 94 A 1 -ATOM 1796 C CD . ARG A1 1 104 ? -32.026 16.571 -3.558 1.0 23.56 ? 94 A 1 -ATOM 1797 N NE . ARG A1 1 104 ? -32.723 17.33 -4.563 1.0 24.05 ? 94 A 1 -ATOM 1798 C CZ . ARG A1 1 104 ? -32.682 18.656 -4.675 1.0 26.69 ? 94 A 1 -ATOM 1799 N NH1 . ARG A1 1 104 ? -33.33 19.259 -5.671 1.0 27.31 ? 94 A 1 -ATOM 1800 N NH2 . ARG A1 1 104 ? -32.066 19.406 -3.77 1.0 28.92 ? 94 A 1 -ATOM 1801 H H . ARG A1 1 104 ? -28.96 16.067 -7.274 1.0 18.71 ? 94 A 1 -ATOM 1802 H HA . ARG A1 1 104 ? -28.142 16.859 -4.917 1.0 21.43 ? 94 A 1 -ATOM 1803 H HB2 . ARG A1 1 104 ? -30.379 17.001 -5.741 1.0 22.55 ? 94 A 1 -ATOM 1804 H HB3 . ARG A1 1 104 ? -30.525 15.441 -5.477 1.0 22.55 ? 94 A 1 -ATOM 1805 H HG2 . ARG A1 1 104 ? -30.15 15.843 -3.19 1.0 23.83 ? 94 A 1 -ATOM 1806 H HG3 . ARG A1 1 104 ? -30.158 17.402 -3.498 1.0 23.83 ? 94 A 1 -ATOM 1807 H HD2 . ARG A1 1 104 ? -32.365 15.663 -3.583 1.0 28.27 ? 94 A 1 -ATOM 1808 H HD3 . ARG A1 1 104 ? -32.217 16.974 -2.696 1.0 28.27 ? 94 A 1 -ATOM 1809 H HE . ARG A1 1 104 ? -33.2 16.896 -5.132 1.0 28.86 ? 94 A 1 -ATOM 1810 H HH11 . ARG A1 1 104 ? -33.774 18.791 -6.24 1.0 32.78 ? 94 A 1 -ATOM 1811 H HH12 . ARG A1 1 104 ? -33.305 20.115 -5.745 1.0 32.78 ? 94 A 1 -ATOM 1812 H HH21 . ARG A1 1 104 ? -31.683 19.036 -3.095 1.0 34.71 ? 94 A 1 -ATOM 1813 H HH22 . ARG A1 1 104 ? -32.05 20.261 -3.859 1.0 34.71 ? 94 A 1 -ATOM 1814 N N . LEU A1 1 105 ? -28.234 13.679 -5.148 1.0 17.01 ? 95 A 1 -ATOM 1815 C CA . LEU A1 1 105 ? -27.759 12.48 -4.495 1.0 17.43 ? 95 A 1 -ATOM 1816 C C . LEU A1 1 105 ? -26.245 12.478 -4.359 1.0 16.61 ? 95 A 1 -ATOM 1817 O O . LEU A1 1 105 ? -25.715 12.113 -3.298 1.0 17.64 ? 95 A 1 -ATOM 1818 C CB . LEU A1 1 105 ? -28.241 11.266 -5.281 1.0 19.54 ? 95 A 1 -ATOM 1819 C CG . LEU A1 1 105 ? -28.135 9.959 -4.545 1.0 22.21 ? 95 A 1 -ATOM 1820 C CD1 . LEU A1 1 105 ? -29.04 9.943 -3.295 1.0 24.47 ? 95 A 1 -ATOM 1821 C CD2 . LEU A1 1 105 ? -28.571 8.894 -5.56 1.0 28.69 ? 95 A 1 -ATOM 1822 H H . LEU A1 1 105 ? -28.606 13.545 -5.911 1.0 20.41 ? 95 A 1 -ATOM 1823 H HA . LEU A1 1 105 ? -28.125 12.434 -3.598 1.0 20.92 ? 95 A 1 -ATOM 1824 H HB2 . LEU A1 1 105 ? -29.174 11.398 -5.51 1.0 23.45 ? 95 A 1 -ATOM 1825 H HB3 . LEU A1 1 105 ? -27.709 11.191 -6.089 1.0 23.45 ? 95 A 1 -ATOM 1826 H HG . LEU A1 1 105 ? -27.238 9.794 -4.216 1.0 26.65 ? 95 A 1 -ATOM 1827 H HD11 . LEU A1 1 105 ? -29.112 9.033 -2.969 1.0 29.37 ? 95 A 1 -ATOM 1828 H HD12 . LEU A1 1 105 ? -28.646 10.509 -2.613 1.0 29.37 ? 95 A 1 -ATOM 1829 H HD13 . LEU A1 1 105 ? -29.918 10.278 -3.536 1.0 29.37 ? 95 A 1 -ATOM 1830 H HD21 . LEU A1 1 105 ? -28.552 8.023 -5.132 1.0 34.42 ? 95 A 1 -ATOM 1831 H HD22 . LEU A1 1 105 ? -29.471 9.094 -5.862 1.0 34.42 ? 95 A 1 -ATOM 1832 H HD23 . LEU A1 1 105 ? -27.96 8.905 -6.313 1.0 34.42 ? 95 A 1 -ATOM 1833 N N . ALA A1 1 106 ? -25.521 12.917 -5.393 1.0 15.44 ? 96 A 1 -ATOM 1834 C CA . ALA A1 1 106 ? -24.07 13.006 -5.255 1.0 16.0 ? 96 A 1 -ATOM 1835 C C . ALA A1 1 106 ? -23.652 13.971 -4.166 1.0 16.36 ? 96 A 1 -ATOM 1836 O O . ALA A1 1 106 ? -22.719 13.688 -3.412 1.0 16.63 ? 96 A 1 -ATOM 1837 C CB . ALA A1 1 106 ? -23.449 13.466 -6.588 1.0 14.84 ? 96 A 1 -ATOM 1838 H H . ALA A1 1 106 ? -25.836 13.16 -6.156 1.0 18.53 ? 96 A 1 -ATOM 1839 H HA . ALA A1 1 106 ? -23.743 12.122 -5.024 1.0 19.21 ? 96 A 1 -ATOM 1840 H HB1 . ALA A1 1 106 ? -22.52 13.703 -6.439 1.0 17.81 ? 96 A 1 -ATOM 1841 H HB2 . ALA A1 1 106 ? -23.506 12.742 -7.23 1.0 17.81 ? 96 A 1 -ATOM 1842 H HB3 . ALA A1 1 106 ? -23.938 14.238 -6.915 1.0 17.81 ? 96 A 1 -ATOM 1843 N N . VAL A1 1 107 ? -24.341 15.124 -4.074 1.0 16.46 ? 97 A 1 -ATOM 1844 C CA . VAL A1 1 107 ? -24.052 16.077 -2.997 1.0 16.86 ? 97 A 1 -ATOM 1845 C C . VAL A1 1 107 ? -24.272 15.43 -1.641 1.0 18.03 ? 97 A 1 -ATOM 1846 O O . VAL A1 1 107 ? -23.455 15.596 -0.741 1.0 18.63 ? 97 A 1 -ATOM 1847 C CB . VAL A1 1 107 ? -24.883 17.332 -3.232 1.0 16.98 ? 97 A 1 -ATOM 1848 C CG1 . VAL A1 1 107 ? -24.796 18.309 -2.072 1.0 20.67 ? 97 A 1 -ATOM 1849 C CG2 . VAL A1 1 107 ? -24.49 18.031 -4.52 1.0 18.41 ? 97 A 1 -ATOM 1850 H H . VAL A1 1 107 ? -24.965 15.369 -4.613 1.0 19.75 ? 97 A 1 -ATOM 1851 H HA . VAL A1 1 107 ? -23.118 16.338 -3.009 1.0 20.24 ? 97 A 1 -ATOM 1852 H HB . VAL A1 1 107 ? -25.804 17.04 -3.306 1.0 20.38 ? 97 A 1 -ATOM 1853 H HG11 . VAL A1 1 107 ? -25.22 19.143 -2.329 1.0 24.8 ? 97 A 1 -ATOM 1854 H HG12 . VAL A1 1 107 ? -25.251 17.929 -1.304 1.0 24.8 ? 97 A 1 -ATOM 1855 H HG13 . VAL A1 1 107 ? -23.862 18.465 -1.86 1.0 24.8 ? 97 A 1 -ATOM 1856 H HG21 . VAL A1 1 107 ? -25.0 18.853 -4.602 1.0 22.09 ? 97 A 1 -ATOM 1857 H HG22 . VAL A1 1 107 ? -23.541 18.232 -4.493 1.0 22.09 ? 97 A 1 -ATOM 1858 H HG23 . VAL A1 1 107 ? -24.683 17.446 -5.269 1.0 22.09 ? 97 A 1 -ATOM 1859 N N . GLN A1 1 108 ? -25.355 14.658 -1.505 1.0 18.27 ? 98 A 1 -ATOM 1860 C CA . GLN A1 1 108 ? -25.642 13.987 -0.235 1.0 18.74 ? 98 A 1 -ATOM 1861 C C . GLN A1 1 108 ? -24.575 12.951 0.071 1.0 18.55 ? 98 A 1 -ATOM 1862 O O . GLN A1 1 108 ? -24.306 12.694 1.253 1.0 20.9 ? 98 A 1 -ATOM 1863 C CB . GLN A1 1 108 ? -27.027 13.4 -0.304 1.0 19.1 ? 98 A 1 -ATOM 1864 C CG . GLN A1 1 108 ? -28.065 14.512 -0.226 1.0 19.98 ? 98 A 1 -ATOM 1865 C CD . GLN A1 1 108 ? -29.493 14.093 -0.449 1.0 24.26 ? 98 A 1 -ATOM 1866 O OE1 . GLN A1 1 108 ? -29.771 12.97 -0.858 1.0 25.89 ? 98 A 1 -ATOM 1867 N NE2 . GLN A1 1 108 ? -30.428 15.004 -0.171 1.0 23.13 ? 98 A 1 -ATOM 1868 H H . GLN A1 1 108 ? -25.932 14.507 -2.125 1.0 21.93 ? 98 A 1 -ATOM 1869 H HA . GLN A1 1 108 ? -25.634 14.616 0.504 1.0 22.48 ? 98 A 1 -ATOM 1870 H HB2 . GLN A1 1 108 ? -27.14 12.927 -1.143 1.0 22.93 ? 98 A 1 -ATOM 1871 H HB3 . GLN A1 1 108 ? -27.163 12.793 0.44 1.0 22.93 ? 98 A 1 -ATOM 1872 H HG2 . GLN A1 1 108 ? -28.018 14.91 0.657 1.0 23.98 ? 98 A 1 -ATOM 1873 H HG3 . GLN A1 1 108 ? -27.852 15.175 -0.901 1.0 23.98 ? 98 A 1 -ATOM 1874 H HE21 . GLN A1 1 108 ? -30.198 15.78 0.119 1.0 27.76 ? 98 A 1 -ATOM 1875 H HE22 . GLN A1 1 108 ? -31.259 14.815 -0.281 1.0 27.76 ? 98 A 1 -ATOM 1876 N N . PHE A1 1 109 ? -24.049 12.262 -0.922 1.0 19.14 ? 99 A 1 -ATOM 1877 C CA . PHE A1 1 109 ? -22.95 11.33 -0.751 1.0 19.16 ? 99 A 1 -ATOM 1878 C C . PHE A1 1 109 ? -21.632 12.002 -0.48 1.0 20.68 ? 99 A 1 -ATOM 1879 O O . PHE A1 1 109 ? -20.646 11.312 -0.205 1.0 23.33 ? 99 A 1 -ATOM 1880 C CB . PHE A1 1 109 ? -22.811 10.436 -1.999 1.0 18.38 ? 99 A 1 -ATOM 1881 C CG . PHE A1 1 109 ? -23.651 9.193 -2.0 1.0 20.54 ? 99 A 1 -ATOM 1882 C CD1 . PHE A1 1 109 ? -24.975 9.224 -2.318 1.0 26.44 ? 99 A 1 -ATOM 1883 C CD2 . PHE A1 1 109 ? -23.082 7.959 -1.744 1.0 25.82 ? 99 A 1 -ATOM 1884 C CE1 . PHE A1 1 109 ? -25.751 8.051 -2.354 1.0 27.25 ? 99 A 1 -ATOM 1885 C CE2 . PHE A1 1 109 ? -23.848 6.794 -1.781 1.0 29.92 ? 99 A 1 -ATOM 1886 C CZ . PHE A1 1 109 ? -25.183 6.849 -2.083 1.0 23.96 ? 99 A 1 -ATOM 1887 H H . PHE A1 1 109 ? -24.32 12.315 -1.737 1.0 22.97 ? 99 A 1 -ATOM 1888 H HA . PHE A1 1 109 ? -23.157 10.766 0.01 1.0 23.0 ? 99 A 1 -ATOM 1889 H HB2 . PHE A1 1 109 ? -23.065 10.957 -2.777 1.0 22.05 ? 99 A 1 -ATOM 1890 H HB3 . PHE A1 1 109 ? -21.884 10.158 -2.074 1.0 22.05 ? 99 A 1 -ATOM 1891 H HD1 . PHE A1 1 109 ? -25.375 10.039 -2.517 1.0 31.73 ? 99 A 1 -ATOM 1892 H HD2 . PHE A1 1 109 ? -22.175 7.904 -1.546 1.0 30.99 ? 99 A 1 -ATOM 1893 H HE1 . PHE A1 1 109 ? -26.655 8.1 -2.564 1.0 32.69 ? 99 A 1 -ATOM 1894 H HE2 . PHE A1 1 109 ? -23.45 5.974 -1.598 1.0 35.91 ? 99 A 1 -ATOM 1895 H HZ . PHE A1 1 109 ? -25.694 6.072 -2.103 1.0 28.76 ? 99 A 1 -ATOM 1896 N N . GLY A1 1 110 ? -21.568 13.337 -0.568 1.0 20.14 ? 100 A 1 -ATOM 1897 C CA . GLY A1 1 110 ? -20.394 14.085 -0.178 1.0 20.48 ? 100 A 1 -ATOM 1898 C C . GLY A1 1 110 ? -19.597 14.761 -1.272 1.0 20.13 ? 100 A 1 -ATOM 1899 O O . GLY A1 1 110 ? -18.539 15.328 -0.989 1.0 21.86 ? 100 A 1 -ATOM 1900 H H . GLY A1 1 110 ? -22.21 13.83 -0.858 1.0 24.16 ? 100 A 1 -ATOM 1901 H HA2 . GLY A1 1 110 ? -20.673 14.779 0.44 1.0 24.58 ? 100 A 1 -ATOM 1902 H HA3 . GLY A1 1 110 ? -19.791 13.478 0.28 1.0 24.58 ? 100 A 1 -ATOM 1903 N N . ALA A1 1 111 ? -20.005 14.675 -2.56 1.0 19.63 ? 101 A 1 -ATOM 1904 C CA . ALA A1 1 111 ? -19.303 15.392 -3.622 1.0 18.21 ? 101 A 1 -ATOM 1905 C C . ALA A1 1 111 ? -19.462 16.889 -3.41 1.0 16.3 ? 101 A 1 -ATOM 1906 O O . ALA A1 1 111 ? -20.561 17.382 -3.225 1.0 19.7 ? 101 A 1 -ATOM 1907 C CB . ALA A1 1 111 ? -19.892 15.002 -4.973 1.0 21.16 ? 101 A 1 -ATOM 1908 H H . ALA A1 1 111 ? -20.678 14.212 -2.829 1.0 23.55 ? 101 A 1 -ATOM 1909 H HA . ALA A1 1 111 ? -18.359 15.167 -3.613 1.0 21.85 ? 101 A 1 -ATOM 1910 H HB1 . ALA A1 1 111 ? -19.428 15.487 -5.673 1.0 25.4 ? 101 A 1 -ATOM 1911 H HB2 . ALA A1 1 111 ? -19.78 14.047 -5.103 1.0 25.4 ? 101 A 1 -ATOM 1912 H HB3 . ALA A1 1 111 ? -20.835 15.228 -4.984 1.0 25.4 ? 101 A 1 -ATOM 1913 N N . LYS A1 1 112 ? -18.339 17.596 -3.546 1.0 15.96 ? 102 A 1 -ATOM 1914 C CA . LYS A1 1 112 ? -18.362 19.051 -3.39 1.0 16.22 ? 102 A 1 -ATOM 1915 C C . LYS A1 1 112 ? -18.31 19.818 -4.695 1.0 14.89 ? 102 A 1 -ATOM 1916 O O . LYS A1 1 112 ? -18.438 21.064 -4.682 1.0 15.68 ? 102 A 1 -ATOM 1917 C CB . LYS A1 1 112 ? -17.237 19.49 -2.461 1.0 17.91 ? 102 A 1 -ATOM 1918 C CG . LYS A1 1 112 ? -17.488 18.882 -1.023 1.0 22.19 ? 102 A 1 -ATOM 1919 C CD . LYS A1 1 112 ? -16.602 19.533 0.016 1.0 29.85 ? 102 A 1 -ATOM 1920 C CE . LYS A1 1 112 ? -17.034 19.13 1.469 1.0 36.89 ? 102 A 1 -ATOM 1921 N NZ . LYS A1 1 112 ? -17.071 17.667 1.653 1.0 87.05 ? 102 A 1 -ATOM 1922 H H . LYS A1 1 112 ? -17.567 17.262 -3.725 1.0 19.15 ? 102 A 1 -ATOM 1923 H HA . LYS A1 1 112 ? -19.2 19.304 -2.971 1.0 19.46 ? 102 A 1 -ATOM 1924 H HB2 . LYS A1 1 112 ? -16.387 19.165 -2.797 1.0 21.49 ? 102 A 1 -ATOM 1925 H HB3 . LYS A1 1 112 ? -17.221 20.457 -2.396 1.0 21.49 ? 102 A 1 -ATOM 1926 H HG2 . LYS A1 1 112 ? -18.412 19.028 -0.769 1.0 26.63 ? 102 A 1 -ATOM 1927 H HG3 . LYS A1 1 112 ? -17.293 17.932 -1.037 1.0 26.63 ? 102 A 1 -ATOM 1928 H HD2 . LYS A1 1 112 ? -15.684 19.249 -0.12 1.0 35.81 ? 102 A 1 -ATOM 1929 H HD3 . LYS A1 1 112 ? -16.665 20.498 -0.066 1.0 35.81 ? 102 A 1 -ATOM 1930 H HE2 . LYS A1 1 112 ? -16.401 19.499 2.104 1.0 44.27 ? 102 A 1 -ATOM 1931 H HE3 . LYS A1 1 112 ? -17.922 19.479 1.645 1.0 44.27 ? 102 A 1 -ATOM 1932 H HZ1 . LYS A1 1 112 ? -17.643 17.301 1.078 1.0 104.47 ? 102 A 1 -ATOM 1933 H HZ2 . LYS A1 1 112 ? -16.262 17.322 1.515 1.0 104.47 ? 102 A 1 -ATOM 1934 H HZ3 . LYS A1 1 112 ? -17.33 17.471 2.482 1.0 104.47 ? 102 A 1 -ATOM 1935 N N . THR A1 1 113 ? -18.147 19.102 -5.8 1.0 13.98 ? 103 A 1 -ATOM 1936 C CA . THR A1 1 113 ? -18.277 19.636 -7.141 1.0 13.19 ? 103 A 1 -ATOM 1937 C C . THR A1 1 113 ? -19.093 18.639 -7.935 1.0 12.81 ? 103 A 1 -ATOM 1938 O O . THR A1 1 113 ? -18.889 17.436 -7.841 1.0 13.78 ? 103 A 1 -ATOM 1939 C CB . THR A1 1 113 ? -16.914 19.774 -7.834 1.0 13.09 ? 103 A 1 -ATOM 1940 O OG1 . THR A1 1 113 ? -16.083 20.701 -7.143 1.0 14.76 ? 103 A 1 -ATOM 1941 C CG2 . THR A1 1 113 ? -17.037 20.292 -9.259 1.0 14.76 ? 103 A 1 -ATOM 1942 H H . THR A1 1 113 ? -17.953 18.264 -5.795 1.0 16.77 ? 103 A 1 -ATOM 1943 H HA . THR A1 1 113 ? -18.704 20.507 -7.112 1.0 15.82 ? 103 A 1 -ATOM 1944 H HB . THR A1 1 113 ? -16.522 18.887 -7.841 1.0 15.71 ? 103 A 1 -ATOM 1945 H HG1 . THR A1 1 113 ? -15.928 20.424 -6.365 1.0 17.72 ? 103 A 1 -ATOM 1946 H HG21 . THR A1 1 113 ? -16.162 20.532 -9.601 1.0 17.71 ? 103 A 1 -ATOM 1947 H HG22 . THR A1 1 113 ? -17.422 19.607 -9.829 1.0 17.71 ? 103 A 1 -ATOM 1948 H HG23 . THR A1 1 113 ? -17.609 21.075 -9.279 1.0 17.71 ? 103 A 1 -ATOM 1949 N N . ILE A1 1 114 ? -20.011 19.156 -8.745 1.0 13.08 ? 104 A 1 -ATOM 1950 C CA . ILE A1 1 114 ? -20.727 18.394 -9.758 1.0 13.61 ? 104 A 1 -ATOM 1951 C C . ILE A1 1 114 ? -20.203 18.828 -11.121 1.0 12.8 ? 104 A 1 -ATOM 1952 O O . ILE A1 1 114 ? -20.152 20.037 -11.415 1.0 13.46 ? 104 A 1 -ATOM 1953 C CB . ILE A1 1 114 ? -22.234 18.629 -9.687 1.0 14.2 ? 104 A 1 -ATOM 1954 C CG1 . ILE A1 1 114 ? -22.779 18.297 -8.312 1.0 16.81 ? 104 A 1 -ATOM 1955 C CG2 . ILE A1 1 114 ? -22.953 17.853 -10.797 1.0 15.44 ? 104 A 1 -ATOM 1956 C CD1 . ILE A1 1 114 ? -22.628 16.865 -7.898 1.0 15.82 ? 104 A 1 -ATOM 1957 H H . ILE A1 1 114 ? -20.245 19.983 -8.724 1.0 15.7 ? 104 A 1 -ATOM 1958 H HA . ILE A1 1 114 ? -20.552 17.449 -9.624 1.0 16.33 ? 104 A 1 -ATOM 1959 H HB . ILE A1 1 114 ? -22.402 19.573 -9.832 1.0 17.04 ? 104 A 1 -ATOM 1960 H HG12 . ILE A1 1 114 ? -22.312 18.839 -7.658 1.0 20.17 ? 104 A 1 -ATOM 1961 H HG13 . ILE A1 1 114 ? -23.727 18.505 -8.299 1.0 20.17 ? 104 A 1 -ATOM 1962 H HG21 . ILE A1 1 114 ? -23.906 17.849 -10.614 1.0 18.53 ? 104 A 1 -ATOM 1963 H HG22 . ILE A1 1 114 ? -22.782 18.288 -11.648 1.0 18.53 ? 104 A 1 -ATOM 1964 H HG23 . ILE A1 1 114 ? -22.616 16.944 -10.817 1.0 18.53 ? 104 A 1 -ATOM 1965 H HD11 . ILE A1 1 114 ? -23.05 16.74 -7.034 1.0 18.98 ? 104 A 1 -ATOM 1966 H HD12 . ILE A1 1 114 ? -23.056 16.299 -8.56 1.0 18.98 ? 104 A 1 -ATOM 1967 H HD13 . ILE A1 1 114 ? -21.684 16.651 -7.84 1.0 18.98 ? 104 A 1 -ATOM 1968 N N . VAL A1 1 115 ? -19.837 17.852 -11.934 1.0 12.77 ? 105 A 1 -ATOM 1969 C CA . VAL A1 1 115 ? -19.363 18.063 -13.323 1.0 12.82 ? 105 A 1 -ATOM 1970 C C . VAL A1 1 115 ? -20.46 17.593 -14.247 1.0 13.05 ? 105 A 1 -ATOM 1971 O O . VAL A1 1 115 ? -20.88 16.447 -14.172 1.0 14.67 ? 105 A 1 -ATOM 1972 C CB . VAL A1 1 115 ? -18.09 17.272 -13.601 1.0 11.95 ? 105 A 1 -ATOM 1973 C CG1 . VAL A1 1 115 ? -17.596 17.57 -15.017 1.0 14.34 ? 105 A 1 -ATOM 1974 C CG2 . VAL A1 1 115 ? -16.99 17.586 -12.616 1.0 14.13 ? 105 A 1 -ATOM 1975 H H . VAL A1 1 115 ? -19.848 17.022 -11.709 1.0 15.32 ? 105 A 1 -ATOM 1976 H HA . VAL A1 1 115 ? -19.194 19.007 -13.467 1.0 15.38 ? 105 A 1 -ATOM 1977 H HB . VAL A1 1 115 ? -18.304 16.331 -13.509 1.0 14.34 ? 105 A 1 -ATOM 1978 H HG11 . VAL A1 1 115 ? -16.705 17.202 -15.125 1.0 17.21 ? 105 A 1 -ATOM 1979 H HG12 . VAL A1 1 115 ? -18.202 17.161 -15.655 1.0 17.21 ? 105 A 1 -ATOM 1980 H HG13 . VAL A1 1 115 ? -17.576 18.53 -15.149 1.0 17.21 ? 105 A 1 -ATOM 1981 H HG21 . VAL A1 1 115 ? -16.265 16.955 -12.741 1.0 16.95 ? 105 A 1 -ATOM 1982 H HG22 . VAL A1 1 115 ? -16.674 18.489 -12.774 1.0 16.95 ? 105 A 1 -ATOM 1983 H HG23 . VAL A1 1 115 ? -17.342 17.511 -11.715 1.0 16.95 ? 105 A 1 -ATOM 1984 N N . LEU A1 1 116 ? -20.96 18.492 -15.086 1.0 12.48 ? 106 A 1 -ATOM 1985 C CA . LEU A1 1 116 ? -21.943 18.126 -16.114 1.0 12.64 ? 106 A 1 -ATOM 1986 C C . LEU A1 1 116 ? -21.177 18.025 -17.439 1.0 12.87 ? 106 A 1 -ATOM 1987 O O . LEU A1 1 116 ? -20.604 19.026 -17.876 1.0 13.06 ? 106 A 1 -ATOM 1988 C CB . LEU A1 1 116 ? -23.036 19.159 -16.206 1.0 13.39 ? 106 A 1 -ATOM 1989 C CG . LEU A1 1 116 ? -23.807 19.411 -14.887 1.0 14.35 ? 106 A 1 -ATOM 1990 C CD1 . LEU A1 1 116 ? -24.824 20.505 -15.138 1.0 17.73 ? 106 A 1 -ATOM 1991 C CD2 . LEU A1 1 116 ? -24.475 18.144 -14.418 1.0 16.07 ? 106 A 1 -ATOM 1992 H H . LEU A1 1 116 ? -20.748 19.325 -15.083 1.0 14.98 ? 106 A 1 -ATOM 1993 H HA . LEU A1 1 116 ? -22.364 17.276 -15.908 1.0 15.17 ? 106 A 1 -ATOM 1994 H HB2 . LEU A1 1 116 ? -22.639 20.001 -16.478 1.0 16.06 ? 106 A 1 -ATOM 1995 H HB3 . LEU A1 1 116 ? -23.68 18.866 -16.869 1.0 16.06 ? 106 A 1 -ATOM 1996 H HG . LEU A1 1 116 ? -23.203 19.689 -14.181 1.0 17.22 ? 106 A 1 -ATOM 1997 H HD11 . LEU A1 1 116 ? -25.312 20.677 -14.318 1.0 21.28 ? 106 A 1 -ATOM 1998 H HD12 . LEU A1 1 116 ? -24.36 21.309 -15.421 1.0 21.28 ? 106 A 1 -ATOM 1999 H HD13 . LEU A1 1 116 ? -25.436 20.214 -15.832 1.0 21.28 ? 106 A 1 -ATOM 2000 H HD21 . LEU A1 1 116 ? -25.064 18.354 -13.676 1.0 19.28 ? 106 A 1 -ATOM 2001 H HD22 . LEU A1 1 116 ? -24.987 17.767 -15.15 1.0 19.28 ? 106 A 1 -ATOM 2002 H HD23 . LEU A1 1 116 ? -23.794 17.515 -14.132 1.0 19.28 ? 106 A 1 -ATOM 2003 N N . GLN A1 1 117 ? -21.102 16.839 -17.999 1.0 12.2 ? 107 A 1 -ATOM 2004 C CA . GLN A1 1 117 ? -20.397 16.613 -19.265 1.0 12.65 ? 107 A 1 -ATOM 2005 C C . GLN A1 1 117 ? -21.364 15.971 -20.235 1.0 12.44 ? 107 A 1 -ATOM 2006 O O . GLN A1 1 117 ? -22.228 15.173 -19.866 1.0 13.26 ? 107 A 1 -ATOM 2007 C CB . GLN A1 1 117 ? -19.168 15.733 -19.052 1.0 12.51 ? 107 A 1 -ATOM 2008 C CG . GLN A1 1 117 ? -18.257 15.708 -20.301 1.0 13.33 ? 107 A 1 -ATOM 2009 C CD . GLN A1 1 117 ? -17.039 14.862 -20.122 1.0 14.7 ? 107 A 1 -ATOM 2010 O OE1 . GLN A1 1 117 ? -17.104 13.634 -20.291 1.0 16.38 ? 107 A 1 -ATOM 2011 N NE2 . GLN A1 1 117 ? -15.912 15.477 -19.813 1.0 13.98 ? 107 A 1 -ATOM 2012 H H . GLN A1 1 117 ? -21.454 16.129 -17.668 1.0 14.64 ? 107 A 1 -ATOM 2013 H HA . GLN A1 1 117 ? -20.087 17.448 -19.649 1.0 15.17 ? 107 A 1 -ATOM 2014 H HB2 . GLN A1 1 117 ? -18.653 16.078 -18.306 1.0 15.01 ? 107 A 1 -ATOM 2015 H HB3 . GLN A1 1 117 ? -19.454 14.825 -18.866 1.0 15.01 ? 107 A 1 -ATOM 2016 H HG2 . GLN A1 1 117 ? -18.759 15.353 -21.051 1.0 16.0 ? 107 A 1 -ATOM 2017 H HG3 . GLN A1 1 117 ? -17.965 16.613 -20.496 1.0 16.0 ? 107 A 1 -ATOM 2018 H HE21 . GLN A1 1 117 ? -15.899 16.332 -19.722 1.0 16.78 ? 107 A 1 -ATOM 2019 H HE22 . GLN A1 1 117 ? -15.19 15.022 -19.702 1.0 16.78 ? 107 A 1 -ATOM 2020 N N . SER A1 1 118 ? -21.204 16.32 -21.519 1.0 12.68 ? 108 A 1 -ATOM 2021 C CA . SER A1 1 118 ? -22.047 15.737 -22.55 1.0 13.6 ? 108 A 1 -ATOM 2022 C C . SER A1 1 118 ? -21.337 15.803 -23.891 1.0 13.37 ? 108 A 1 -ATOM 2023 O O . SER A1 1 118 ? -20.369 16.531 -24.091 1.0 13.4 ? 108 A 1 -ATOM 2024 C CB . SER A1 1 118 ? -23.37 16.482 -22.639 1.0 13.97 ? 108 A 1 -ATOM 2025 O OG . SER A1 1 118 ? -23.208 17.819 -22.981 1.0 14.77 ? 108 A 1 -ATOM 2026 H H . SER A1 1 118 ? -20.621 16.883 -21.805 1.0 15.22 ? 108 A 1 -ATOM 2027 H HA . SER A1 1 118 ? -22.199 14.804 -22.332 1.0 16.32 ? 108 A 1 -ATOM 2028 H HB2 . SER A1 1 118 ? -23.92 16.055 -23.314 1.0 16.76 ? 108 A 1 -ATOM 2029 H HB3 . SER A1 1 118 ? -23.809 16.435 -21.775 1.0 16.76 ? 108 A 1 -ATOM 2030 H HG . SER A1 1 118 ? -22.918 17.881 -23.767 1.0 17.73 ? 108 A 1 -ATOM 2031 N N . GLY A1 1 119 ? -21.914 15.086 -24.847 1.0 13.33 ? 109 A 1 -ATOM 2032 C CA . GLY A1 1 119 ? -21.678 15.434 -26.241 1.0 13.09 ? 109 A 1 -ATOM 2033 C C . GLY A1 1 119 ? -22.16 16.839 -26.514 1.0 14.04 ? 109 A 1 -ATOM 2034 O O . GLY A1 1 119 ? -22.906 17.449 -25.74 1.0 13.31 ? 109 A 1 -ATOM 2035 H H . GLY A1 1 119 ? -22.432 14.412 -24.719 1.0 16.0 ? 109 A 1 -ATOM 2036 H HA2 . GLY A1 1 119 ? -20.729 15.383 -26.438 1.0 15.71 ? 109 A 1 -ATOM 2037 H HA3 . GLY A1 1 119 ? -22.154 14.819 -26.82 1.0 15.71 ? 109 A 1 -ATOM 2038 N N . GLU A1 1 120 ? -21.776 17.392 -27.66 1.0 13.75 ? 110 A 1 -ATOM 2039 C CA . GLU A1 1 120 ? -22.276 18.693 -28.063 1.0 13.45 ? 110 A 1 -ATOM 2040 C C . GLU A1 1 120 ? -23.704 18.503 -28.568 1.0 14.77 ? 110 A 1 -ATOM 2041 O O . GLU A1 1 120 ? -23.951 18.304 -29.77 1.0 15.41 ? 110 A 1 -ATOM 2042 C CB . GLU A1 1 120 ? -21.378 19.309 -29.125 1.0 14.23 ? 110 A 1 -ATOM 2043 C CG . GLU A1 1 120 ? -20.036 19.747 -28.621 1.0 14.93 ? 110 A 1 -ATOM 2044 C CD . GLU A1 1 120 ? -19.29 20.711 -29.55 1.0 14.55 ? 110 A 1 -ATOM 2045 O OE1 . GLU A1 1 120 ? -19.896 21.129 -30.565 1.0 15.56 ? 110 A 1 -ATOM 2046 O OE2 . GLU A1 1 120 ? -18.13 21.0 -29.247 1.0 15.58 ? 110 A 1 -ATOM 2047 H H . GLU A1 1 120 ? -21.228 17.031 -28.217 1.0 16.5 ? 110 A 1 -ATOM 2048 H HA . GLU A1 1 120 ? -22.292 19.291 -27.3 1.0 16.14 ? 110 A 1 -ATOM 2049 H HB2 . GLU A1 1 120 ? -21.23 18.653 -29.823 1.0 17.07 ? 110 A 1 -ATOM 2050 H HB3 . GLU A1 1 120 ? -21.823 20.089 -29.491 1.0 17.07 ? 110 A 1 -ATOM 2051 H HG2 . GLU A1 1 120 ? -20.157 20.196 -27.77 1.0 17.91 ? 110 A 1 -ATOM 2052 H HG3 . GLU A1 1 120 ? -19.478 18.962 -28.505 1.0 17.91 ? 110 A 1 -ATOM 2053 N N . ASP A1 1 121 ? -24.663 18.573 -27.633 1.0 14.65 ? 111 A 1 -ATOM 2054 C CA . ASP A1 1 121 ? -26.062 18.225 -27.874 1.0 14.74 ? 111 A 1 -ATOM 2055 C C . ASP A1 1 121 ? -26.884 19.505 -27.89 1.0 16.49 ? 111 A 1 -ATOM 2056 O O . ASP A1 1 121 ? -27.129 20.115 -26.845 1.0 15.77 ? 111 A 1 -ATOM 2057 C CB . ASP A1 1 121 ? -26.57 17.284 -26.799 1.0 14.79 ? 111 A 1 -ATOM 2058 C CG . ASP A1 1 121 ? -28.012 16.911 -27.0 1.0 16.53 ? 111 A 1 -ATOM 2059 O OD1 . ASP A1 1 121 ? -28.7 17.493 -27.889 1.0 16.22 ? 111 A 1 -ATOM 2060 O OD2 . ASP A1 1 121 ? -28.508 16.039 -26.28 1.0 15.68 ? 111 A 1 -ATOM 2061 H H . ASP A1 1 121 ? -24.518 18.83 -26.825 1.0 17.58 ? 111 A 1 -ATOM 2062 H HA . ASP A1 1 121 ? -26.147 17.78 -28.732 1.0 17.69 ? 111 A 1 -ATOM 2063 H HB2 . ASP A1 1 121 ? -26.043 16.47 -26.815 1.0 17.75 ? 111 A 1 -ATOM 2064 H HB3 . ASP A1 1 121 ? -26.488 17.717 -25.935 1.0 17.75 ? 111 A 1 -ATOM 2065 N N . PRO A1 1 122 ? -27.289 19.994 -29.082 1.0 15.75 ? 112 A 1 -ATOM 2066 C CA . PRO A1 1 122 ? -27.978 21.275 -29.163 1.0 16.31 ? 112 A 1 -ATOM 2067 C C . PRO A1 1 122 ? -29.253 21.354 -28.382 1.0 17.19 ? 112 A 1 -ATOM 2068 O O . PRO A1 1 122 ? -29.76 22.443 -28.114 1.0 17.55 ? 112 A 1 -ATOM 2069 C CB . PRO A1 1 122 ? -28.195 21.427 -30.685 1.0 17.38 ? 112 A 1 -ATOM 2070 C CG . PRO A1 1 122 ? -27.151 20.599 -31.305 1.0 21.55 ? 112 A 1 -ATOM 2071 C CD . PRO A1 1 122 ? -27.012 19.401 -30.409 1.0 16.84 ? 112 A 1 -ATOM 2072 H HA . PRO A1 1 122 ? -27.405 21.99 -28.846 1.0 19.57 ? 112 A 1 -ATOM 2073 H HB2 . PRO A1 1 122 ? -29.079 21.107 -30.926 1.0 20.85 ? 112 A 1 -ATOM 2074 H HB3 . PRO A1 1 122 ? -28.098 22.357 -30.941 1.0 20.85 ? 112 A 1 -ATOM 2075 H HG2 . PRO A1 1 122 ? -27.426 20.334 -32.196 1.0 25.86 ? 112 A 1 -ATOM 2076 H HG3 . PRO A1 1 122 ? -26.319 21.096 -31.348 1.0 25.86 ? 112 A 1 -ATOM 2077 H HD2 . PRO A1 1 122 ? -27.662 18.717 -30.632 1.0 20.21 ? 112 A 1 -ATOM 2078 H HD3 . PRO A1 1 122 ? -26.115 19.033 -30.45 1.0 20.21 ? 112 A 1 -ATOM 2079 N N . TYR A1 1 123 ? -29.88 20.231 -28.015 1.0 16.21 ? 113 A 1 -ATOM 2080 C CA . TYR A1 1 123 ? -31.145 20.297 -27.293 1.0 17.36 ? 113 A 1 -ATOM 2081 C C . TYR A1 1 123 ? -31.087 21.237 -26.093 1.0 16.04 ? 113 A 1 -ATOM 2082 O O . TYR A1 1 123 ? -32.039 21.942 -25.785 1.0 17.76 ? 113 A 1 -ATOM 2083 C CB . TYR A1 1 123 ? -31.607 18.903 -26.806 1.0 16.93 ? 113 A 1 -ATOM 2084 C CG . TYR A1 1 123 ? -32.848 18.983 -25.987 1.0 17.71 ? 113 A 1 -ATOM 2085 C CD1 . TYR A1 1 123 ? -34.102 19.036 -26.579 1.0 20.26 ? 113 A 1 -ATOM 2086 C CD2 . TYR A1 1 123 ? -32.763 19.093 -24.604 1.0 17.93 ? 113 A 1 -ATOM 2087 C CE1 . TYR A1 1 123 ? -35.236 19.162 -25.809 1.0 23.02 ? 113 A 1 -ATOM 2088 C CE2 . TYR A1 1 123 ? -33.893 19.213 -23.844 1.0 20.55 ? 113 A 1 -ATOM 2089 C CZ . TYR A1 1 123 ? -35.095 19.26 -24.455 1.0 20.76 ? 113 A 1 -ATOM 2090 O OH . TYR A1 1 123 ? -36.265 19.397 -23.744 1.0 25.67 ? 113 A 1 -ATOM 2091 H H . TYR A1 1 123 ? -29.595 19.435 -28.169 1.0 19.46 ? 113 A 1 -ATOM 2092 H HA . TYR A1 1 123 ? -31.796 20.632 -27.93 1.0 20.84 ? 113 A 1 -ATOM 2093 H HB2 . TYR A1 1 123 ? -31.786 18.34 -27.574 1.0 20.32 ? 113 A 1 -ATOM 2094 H HB3 . TYR A1 1 123 ? -30.908 18.509 -26.261 1.0 20.32 ? 113 A 1 -ATOM 2095 H HD1 . TYR A1 1 123 ? -34.177 18.987 -27.505 1.0 24.31 ? 113 A 1 -ATOM 2096 H HD2 . TYR A1 1 123 ? -31.929 19.085 -24.191 1.0 21.51 ? 113 A 1 -ATOM 2097 H HE1 . TYR A1 1 123 ? -36.079 19.179 -26.202 1.0 27.63 ? 113 A 1 -ATOM 2098 H HE2 . TYR A1 1 123 ? -33.834 19.262 -22.918 1.0 24.66 ? 113 A 1 -ATOM 2099 H HH . TYR A1 1 123 ? -36.095 19.487 -22.926 1.0 30.81 ? 113 A 1 -ATOM 2100 N N . TYR A1 1 124 ? -29.988 21.172 -25.344 1.0 15.72 ? 114 A 1 -ATOM 2101 C CA . TYR A1 1 124 ? -29.925 21.795 -24.024 1.0 16.29 ? 114 A 1 -ATOM 2102 C C . TYR A1 1 124 ? -29.482 23.237 -24.064 1.0 17.53 ? 114 A 1 -ATOM 2103 O O . TYR A1 1 124 ? -29.503 23.936 -23.035 1.0 17.82 ? 114 A 1 -ATOM 2104 C CB . TYR A1 1 124 ? -28.936 21.021 -23.113 1.0 15.61 ? 114 A 1 -ATOM 2105 C CG . TYR A1 1 124 ? -29.356 19.614 -22.806 1.0 14.3 ? 114 A 1 -ATOM 2106 C CD1 . TYR A1 1 124 ? -29.015 18.567 -23.624 1.0 15.43 ? 114 A 1 -ATOM 2107 C CD2 . TYR A1 1 124 ? -30.017 19.315 -21.624 1.0 16.05 ? 114 A 1 -ATOM 2108 C CE1 . TYR A1 1 124 ? -29.375 17.285 -23.356 1.0 15.16 ? 114 A 1 -ATOM 2109 C CE2 . TYR A1 1 124 ? -30.363 18.016 -21.329 1.0 16.03 ? 114 A 1 -ATOM 2110 C CZ . TYR A1 1 124 ? -30.049 17.008 -22.186 1.0 15.52 ? 114 A 1 -ATOM 2111 O OH . TYR A1 1 124 ? -30.33 15.695 -21.919 1.0 17.17 ? 114 A 1 -ATOM 2112 H H . TYR A1 1 124 ? -29.264 20.772 -25.579 1.0 18.86 ? 114 A 1 -ATOM 2113 H HA . TYR A1 1 124 ? -30.812 21.754 -23.634 1.0 19.54 ? 114 A 1 -ATOM 2114 H HB2 . TYR A1 1 124 ? -28.074 20.981 -23.556 1.0 18.73 ? 114 A 1 -ATOM 2115 H HB3 . TYR A1 1 124 ? -28.855 21.495 -22.271 1.0 18.73 ? 114 A 1 -ATOM 2116 H HD1 . TYR A1 1 124 ? -28.518 18.742 -24.39 1.0 18.52 ? 114 A 1 -ATOM 2117 H HD2 . TYR A1 1 124 ? -30.228 19.996 -21.027 1.0 19.26 ? 114 A 1 -ATOM 2118 H HE1 . TYR A1 1 124 ? -29.169 16.603 -23.954 1.0 18.19 ? 114 A 1 -ATOM 2119 H HE2 . TYR A1 1 124 ? -30.815 17.826 -20.539 1.0 19.24 ? 114 A 1 -ATOM 2120 H HH . TYR A1 1 124 ? -30.745 15.632 -21.192 1.0 20.6 ? 114 A 1 -ATOM 2121 N N . MET A1 1 125 ? -29.059 23.721 -25.211 1.0 18.28 ? 115 A 1 -ATOM 2122 C CA . MET A1 1 125 ? -28.132 24.859 -25.255 1.0 18.49 ? 115 A 1 -ATOM 2123 C C . MET A1 1 125 ? -28.874 26.105 -25.703 1.0 21.2 ? 115 A 1 -ATOM 2124 O O . MET A1 1 125 ? -29.493 26.071 -26.781 1.0 21.1 ? 115 A 1 -ATOM 2125 C CB . MET A1 1 125 ? -26.977 24.623 -26.209 1.0 18.29 ? 115 A 1 -ATOM 2126 C CG . MET A1 1 125 ? -26.278 23.302 -26.019 1.0 16.72 ? 115 A 1 -ATOM 2127 S SD . MET A1 1 125 ? -25.729 23.013 -24.343 1.0 18.06 ? 115 A 1 -ATOM 2128 C CE . MET A1 1 125 ? -24.923 21.481 -24.586 1.0 18.06 ? 115 A 1 -ATOM 2129 H H . MET A1 1 125 ? -29.286 23.417 -25.982 1.0 21.94 ? 115 A 1 -ATOM 2130 H HA . MET A1 1 125 ? -27.762 24.973 -24.365 1.0 22.19 ? 115 A 1 -ATOM 2131 H HB2 . MET A1 1 125 ? -27.316 24.648 -27.117 1.0 21.95 ? 115 A 1 -ATOM 2132 H HB3 . MET A1 1 125 ? -26.32 25.325 -26.08 1.0 21.95 ? 115 A 1 -ATOM 2133 H HG2 . MET A1 1 125 ? -26.89 22.588 -26.257 1.0 20.06 ? 115 A 1 -ATOM 2134 H HG3 . MET A1 1 125 ? -25.498 23.276 -26.595 1.0 20.06 ? 115 A 1 -ATOM 2135 H HE1 . MET A1 1 125 ? -24.59 21.16 -23.733 1.0 21.67 ? 115 A 1 -ATOM 2136 H HE2 . MET A1 1 125 ? -25.558 20.846 -24.953 1.0 21.67 ? 115 A 1 -ATOM 2137 H HE3 . MET A1 1 125 ? -24.186 21.606 -25.203 1.0 21.67 ? 115 A 1 -ATOM 2138 N N . PRO A1 1 126 ? -28.848 27.242 -24.972 1.0 18.85 ? 116 A 1 -ATOM 2139 C CA . PRO A1 1 126 ? -28.198 27.417 -23.659 1.0 19.25 ? 116 A 1 -ATOM 2140 C C . PRO A1 1 126 ? -29.114 27.275 -22.473 1.0 18.86 ? 116 A 1 -ATOM 2141 O O . PRO A1 1 126 ? -28.591 27.163 -21.358 1.0 17.76 ? 116 A 1 -ATOM 2142 C CB . PRO A1 1 126 ? -27.734 28.885 -23.739 1.0 20.32 ? 116 A 1 -ATOM 2143 C CG . PRO A1 1 126 ? -28.788 29.584 -24.541 1.0 21.89 ? 116 A 1 -ATOM 2144 C CD . PRO A1 1 126 ? -29.257 28.548 -25.54 1.0 20.64 ? 116 A 1 -ATOM 2145 H HA . PRO A1 1 126 ? -27.467 26.786 -23.57 1.0 23.1 ? 116 A 1 -ATOM 2146 H HB2 . PRO A1 1 126 ? -27.671 29.261 -22.847 1.0 24.38 ? 116 A 1 -ATOM 2147 H HB3 . PRO A1 1 126 ? -26.872 28.935 -24.181 1.0 24.38 ? 116 A 1 -ATOM 2148 H HG2 . PRO A1 1 126 ? -29.515 29.864 -23.962 1.0 26.27 ? 116 A 1 -ATOM 2149 H HG3 . PRO A1 1 126 ? -28.407 30.355 -24.991 1.0 26.27 ? 116 A 1 -ATOM 2150 H HD2 . PRO A1 1 126 ? -30.222 28.585 -25.638 1.0 24.76 ? 116 A 1 -ATOM 2151 H HD3 . PRO A1 1 126 ? -28.831 28.69 -26.4 1.0 24.76 ? 116 A 1 -ATOM 2152 N N . ASP A1 1 127 ? -30.407 27.38 -22.618 1.0 18.94 ? 117 A 1 -ATOM 2153 C CA . ASP A1 1 127 ? -31.258 27.71 -21.491 1.0 19.75 ? 117 A 1 -ATOM 2154 C C . ASP A1 1 127 ? -31.505 26.513 -20.584 1.0 18.99 ? 117 A 1 -ATOM 2155 O O . ASP A1 1 127 ? -31.697 26.69 -19.378 1.0 20.4 ? 117 A 1 -ATOM 2156 C CB . ASP A1 1 127 ? -32.604 28.267 -21.96 1.0 23.81 ? 117 A 1 -ATOM 2157 C CG . ASP A1 1 127 ? -32.46 29.595 -22.67 1.0 27.12 ? 117 A 1 -ATOM 2158 O OD1 . ASP A1 1 127 ? -31.499 30.356 -22.405 1.0 26.44 ? 117 A 1 -ATOM 2159 O OD2 . ASP A1 1 127 ? -33.327 29.924 -23.519 1.0 33.63 ? 117 A 1 -ATOM 2160 H H . ASP A1 1 127 ? -30.827 27.267 -23.36 1.0 22.73 ? 117 A 1 -ATOM 2161 H HA . ASP A1 1 127 ? -30.809 28.402 -20.98 1.0 23.69 ? 117 A 1 -ATOM 2162 H HB2 . ASP A1 1 127 ? -33.011 27.638 -22.576 1.0 28.57 ? 117 A 1 -ATOM 2163 H HB3 . ASP A1 1 127 ? -33.18 28.398 -21.19 1.0 28.57 ? 117 A 1 -ATOM 2164 N N . VAL A1 1 128 ? -31.536 25.292 -21.111 1.0 18.95 ? 118 A 1 -ATOM 2165 C CA . VAL A1 1 128 ? -31.775 24.143 -20.252 1.0 18.63 ? 118 A 1 -ATOM 2166 C C . VAL A1 1 128 ? -30.578 23.98 -19.309 1.0 18.64 ? 118 A 1 -ATOM 2167 O O . VAL A1 1 128 ? -30.745 23.726 -18.103 1.0 17.85 ? 118 A 1 -ATOM 2168 C CB . VAL A1 1 128 ? -32.042 22.856 -21.04 1.0 19.76 ? 118 A 1 -ATOM 2169 C CG1 . VAL A1 1 128 ? -32.447 21.737 -20.118 1.0 20.84 ? 118 A 1 -ATOM 2170 C CG2 . VAL A1 1 128 ? -33.15 23.053 -22.11 1.0 21.88 ? 118 A 1 -ATOM 2171 H H . VAL A1 1 128 ? -31.425 25.108 -21.944 1.0 22.74 ? 118 A 1 -ATOM 2172 H HA . VAL A1 1 128 ? -32.583 24.313 -19.743 1.0 22.36 ? 118 A 1 -ATOM 2173 H HB . VAL A1 1 128 ? -31.216 22.623 -21.492 1.0 23.71 ? 118 A 1 -ATOM 2174 H HG11 . VAL A1 1 128 ? -32.702 20.966 -20.649 1.0 25.0 ? 118 A 1 -ATOM 2175 H HG12 . VAL A1 1 128 ? -31.697 21.511 -19.546 1.0 25.0 ? 118 A 1 -ATOM 2176 H HG13 . VAL A1 1 128 ? -33.199 22.029 -19.578 1.0 25.0 ? 118 A 1 -ATOM 2177 H HG21 . VAL A1 1 128 ? -33.316 22.206 -22.552 1.0 26.26 ? 118 A 1 -ATOM 2178 H HG22 . VAL A1 1 128 ? -33.96 23.362 -21.673 1.0 26.26 ? 118 A 1 -ATOM 2179 H HG23 . VAL A1 1 128 ? -32.852 23.711 -22.757 1.0 26.26 ? 118 A 1 -ATOM 2180 N N . ILE A1 1 129 ? -29.363 24.141 -19.826 1.0 16.04 ? 119 A 1 -ATOM 2181 C CA . ILE A1 1 129 ? -28.16 24.112 -18.982 1.0 16.29 ? 119 A 1 -ATOM 2182 C C . ILE A1 1 129 ? -28.243 25.182 -17.917 1.0 15.88 ? 119 A 1 -ATOM 2183 O O . ILE A1 1 129 ? -27.981 24.904 -16.737 1.0 15.79 ? 119 A 1 -ATOM 2184 C CB . ILE A1 1 129 ? -26.903 24.344 -19.833 1.0 16.22 ? 119 A 1 -ATOM 2185 C CG1 . ILE A1 1 129 ? -26.707 23.256 -20.891 1.0 16.97 ? 119 A 1 -ATOM 2186 C CG2 . ILE A1 1 129 ? -25.667 24.489 -18.964 1.0 14.94 ? 119 A 1 -ATOM 2187 C CD1 . ILE A1 1 129 ? -26.678 21.857 -20.357 1.0 18.29 ? 119 A 1 -ATOM 2188 H H . ILE A1 1 129 ? -29.201 24.269 -20.661 1.0 19.25 ? 119 A 1 -ATOM 2189 H HA . ILE A1 1 129 ? -28.112 23.239 -18.563 1.0 19.55 ? 119 A 1 -ATOM 2190 H HB . ILE A1 1 129 ? -27.043 25.179 -20.307 1.0 19.47 ? 119 A 1 -ATOM 2191 H HG12 . ILE A1 1 129 ? -27.437 23.31 -21.528 1.0 20.36 ? 119 A 1 -ATOM 2192 H HG13 . ILE A1 1 129 ? -25.862 23.414 -21.341 1.0 20.36 ? 119 A 1 -ATOM 2193 H HG21 . ILE A1 1 129 ? -24.878 24.338 -19.509 1.0 17.93 ? 119 A 1 -ATOM 2194 H HG22 . ILE A1 1 129 ? -25.645 25.385 -18.592 1.0 17.93 ? 119 A 1 -ATOM 2195 H HG23 . ILE A1 1 129 ? -25.704 23.835 -18.249 1.0 17.93 ? 119 A 1 -ATOM 2196 H HD11 . ILE A1 1 129 ? -26.396 21.255 -21.063 1.0 21.95 ? 119 A 1 -ATOM 2197 H HD12 . ILE A1 1 129 ? -26.052 21.814 -19.617 1.0 21.95 ? 119 A 1 -ATOM 2198 H HD13 . ILE A1 1 129 ? -27.567 21.617 -20.053 1.0 21.95 ? 119 A 1 -ATOM 2199 N N . SER A1 1 130 ? -28.621 26.41 -18.268 1.0 16.3 ? 120 A 1 -ATOM 2200 C CA . SER A1 1 130 ? -28.699 27.469 -17.257 1.0 15.71 ? 120 A 1 -ATOM 2201 C C . SER A1 1 130 ? -29.637 27.087 -16.136 1.0 18.12 ? 120 A 1 -ATOM 2202 O O . SER A1 1 130 ? -29.318 27.286 -14.968 1.0 19.04 ? 120 A 1 -ATOM 2203 C CB . SER A1 1 130 ? -29.164 28.768 -17.869 1.0 18.76 ? 120 A 1 -ATOM 2204 O OG . SER A1 1 130 ? -28.172 29.208 -18.769 1.0 19.8 ? 120 A 1 -ATOM 2205 H H . SER A1 1 130 ? -28.834 26.653 -19.065 1.0 19.56 ? 120 A 1 -ATOM 2206 H HA . SER A1 1 130 ? -27.807 27.602 -16.899 1.0 18.85 ? 120 A 1 -ATOM 2207 H HB2 . SER A1 1 130 ? -29.997 28.625 -18.345 1.0 22.52 ? 120 A 1 -ATOM 2208 H HB3 . SER A1 1 130 ? -29.29 29.431 -17.172 1.0 22.52 ? 120 A 1 -ATOM 2209 H HG . SER A1 1 130 ? -28.412 29.926 -19.132 1.0 23.75 ? 120 A 1 -ATOM 2210 N N . ASP A1 1 131 ? -30.768 26.516 -16.452 1.0 18.03 ? 121 A 1 -ATOM 2211 C CA . ASP A1 1 131 ? -31.736 26.153 -15.436 1.0 21.53 ? 121 A 1 -ATOM 2212 C C . ASP A1 1 131 ? -31.179 25.072 -14.53 1.0 19.58 ? 121 A 1 -ATOM 2213 O O . ASP A1 1 131 ? -31.334 25.134 -13.298 1.0 20.13 ? 121 A 1 -ATOM 2214 C CB . ASP A1 1 131 ? -33.02 25.587 -16.077 1.0 25.56 ? 121 A 1 -ATOM 2215 C CG . ASP A1 1 131 ? -33.826 26.597 -16.854 1.0 54.82 ? 121 A 1 -ATOM 2216 O OD1 . ASP A1 1 131 ? -33.747 27.796 -16.551 1.0 34.2 ? 121 A 1 -ATOM 2217 O OD2 . ASP A1 1 131 ? -34.588 26.151 -17.746 1.0 41.48 ? 121 A 1 -ATOM 2218 H H . ASP A1 1 131 ? -31.011 26.322 -17.254 1.0 21.64 ? 121 A 1 -ATOM 2219 H HA . ASP A1 1 131 ? -31.948 26.956 -14.935 1.0 25.83 ? 121 A 1 -ATOM 2220 H HB2 . ASP A1 1 131 ? -32.774 24.876 -16.689 1.0 30.67 ? 121 A 1 -ATOM 2221 H HB3 . ASP A1 1 131 ? -33.589 25.237 -15.374 1.0 30.67 ? 121 A 1 -ATOM 2222 N N . ILE A1 1 132 ? -30.54 24.065 -15.112 1.0 16.61 ? 122 A 1 -ATOM 2223 C CA . ILE A1 1 132 ? -29.942 22.991 -14.327 1.0 18.11 ? 122 A 1 -ATOM 2224 C C . ILE A1 1 132 ? -28.866 23.538 -13.399 1.0 16.92 ? 122 A 1 -ATOM 2225 O O . ILE A1 1 132 ? -28.793 23.17 -12.214 1.0 17.4 ? 122 A 1 -ATOM 2226 C CB . ILE A1 1 132 ? -29.383 21.899 -15.25 1.0 17.21 ? 122 A 1 -ATOM 2227 C CG1 . ILE A1 1 132 ? -30.544 21.168 -15.934 1.0 18.78 ? 122 A 1 -ATOM 2228 C CG2 . ILE A1 1 132 ? -28.549 20.896 -14.458 1.0 17.25 ? 122 A 1 -ATOM 2229 C CD1 . ILE A1 1 132 ? -30.1 20.363 -17.2 1.0 19.21 ? 122 A 1 -ATOM 2230 H H . ILE A1 1 132 ? -30.438 23.978 -15.961 1.0 19.94 ? 122 A 1 -ATOM 2231 H HA . ILE A1 1 132 ? -30.635 22.595 -13.776 1.0 21.73 ? 122 A 1 -ATOM 2232 H HB . ILE A1 1 132 ? -28.816 22.319 -15.915 1.0 20.65 ? 122 A 1 -ATOM 2233 H HG12 . ILE A1 1 132 ? -30.937 20.543 -15.305 1.0 22.53 ? 122 A 1 -ATOM 2234 H HG13 . ILE A1 1 132 ? -31.207 21.82 -16.212 1.0 22.53 ? 122 A 1 -ATOM 2235 H HG21 . ILE A1 1 132 ? -28.434 20.092 -14.988 1.0 20.7 ? 122 A 1 -ATOM 2236 H HG22 . ILE A1 1 132 ? -27.684 21.289 -14.262 1.0 20.7 ? 122 A 1 -ATOM 2237 H HG23 . ILE A1 1 132 ? -29.01 20.684 -13.631 1.0 20.7 ? 122 A 1 -ATOM 2238 H HD11 . ILE A1 1 132 ? -30.883 19.968 -17.614 1.0 23.05 ? 122 A 1 -ATOM 2239 H HD12 . ILE A1 1 132 ? -29.665 20.968 -17.822 1.0 23.05 ? 122 A 1 -ATOM 2240 H HD13 . ILE A1 1 132 ? -29.481 19.666 -16.93 1.0 23.05 ? 122 A 1 -ATOM 2241 N N . VAL A1 1 133 ? -27.961 24.353 -13.922 1.0 15.95 ? 123 A 1 -ATOM 2242 C CA . VAL A1 1 133 ? -26.894 24.953 -13.131 1.0 16.3 ? 123 A 1 -ATOM 2243 C C . VAL A1 1 133 ? -27.455 25.736 -11.963 1.0 17.8 ? 123 A 1 -ATOM 2244 O O . VAL A1 1 133 ? -26.947 25.594 -10.831 1.0 17.54 ? 123 A 1 -ATOM 2245 C CB . VAL A1 1 133 ? -25.994 25.826 -14.02 1.0 16.81 ? 123 A 1 -ATOM 2246 C CG1 . VAL A1 1 133 ? -25.044 26.622 -13.17 1.0 16.85 ? 123 A 1 -ATOM 2247 C CG2 . VAL A1 1 133 ? -25.229 25.007 -15.014 1.0 16.34 ? 123 A 1 -ATOM 2248 H H . VAL A1 1 133 ? -27.94 24.581 -14.75 1.0 19.14 ? 123 A 1 -ATOM 2249 H HA . VAL A1 1 133 ? -26.352 24.235 -12.767 1.0 19.56 ? 123 A 1 -ATOM 2250 H HB . VAL A1 1 133 ? -26.564 26.433 -14.519 1.0 20.18 ? 123 A 1 -ATOM 2251 H HG11 . VAL A1 1 133 ? -24.301 26.918 -13.718 1.0 20.23 ? 123 A 1 -ATOM 2252 H HG12 . VAL A1 1 133 ? -25.513 27.389 -12.805 1.0 20.23 ? 123 A 1 -ATOM 2253 H HG13 . VAL A1 1 133 ? -24.719 26.06 -12.449 1.0 20.23 ? 123 A 1 -ATOM 2254 H HG21 . VAL A1 1 133 ? -24.713 25.601 -15.581 1.0 19.61 ? 123 A 1 -ATOM 2255 H HG22 . VAL A1 1 133 ? -24.636 24.406 -14.537 1.0 19.61 ? 123 A 1 -ATOM 2256 H HG23 . VAL A1 1 133 ? -25.855 24.497 -15.551 1.0 19.61 ? 123 A 1 -ATOM 2257 N N . LYS A1 1 134 ? -28.479 26.538 -12.171 1.0 17.29 ? 124 A 1 -ATOM 2258 C CA . LYS A1 1 134 ? -29.066 27.31 -11.083 1.0 18.56 ? 124 A 1 -ATOM 2259 C C . LYS A1 1 134 ? -29.567 26.39 -9.993 1.0 18.72 ? 124 A 1 -ATOM 2260 O O . LYS A1 1 134 ? -29.358 26.663 -8.775 1.0 20.13 ? 124 A 1 -ATOM 2261 C CB . LYS A1 1 134 ? -30.196 28.168 -11.628 1.0 21.03 ? 124 A 1 -ATOM 2262 C CG . LYS A1 1 134 ? -29.718 29.417 -12.337 1.0 24.5 ? 124 A 1 -ATOM 2263 C CD . LYS A1 1 134 ? -30.874 30.249 -12.911 1.0 33.56 ? 124 A 1 -ATOM 2264 C CE . LYS A1 1 134 ? -30.336 31.35 -13.855 1.0 52.79 ? 124 A 1 -ATOM 2265 N NZ . LYS A1 1 134 ? -31.418 32.046 -14.625 1.0 67.53 ? 124 A 1 -ATOM 2266 H H . LYS A1 1 134 ? -28.859 26.659 -12.933 1.0 20.75 ? 124 A 1 -ATOM 2267 H HA . LYS A1 1 134 ? -28.399 27.899 -10.698 1.0 22.27 ? 124 A 1 -ATOM 2268 H HB2 . LYS A1 1 134 ? -30.708 27.644 -12.263 1.0 25.23 ? 124 A 1 -ATOM 2269 H HB3 . LYS A1 1 134 ? -30.763 28.443 -10.891 1.0 25.23 ? 124 A 1 -ATOM 2270 H HG2 . LYS A1 1 134 ? -29.232 29.973 -11.708 1.0 29.4 ? 124 A 1 -ATOM 2271 H HG3 . LYS A1 1 134 ? -29.138 29.163 -13.072 1.0 29.4 ? 124 A 1 -ATOM 2272 H HD2 . LYS A1 1 134 ? -31.469 29.673 -13.416 1.0 40.28 ? 124 A 1 -ATOM 2273 H HD3 . LYS A1 1 134 ? -31.359 30.674 -12.186 1.0 40.28 ? 124 A 1 -ATOM 2274 H HE2 . LYS A1 1 134 ? -29.869 32.017 -13.328 1.0 63.35 ? 124 A 1 -ATOM 2275 H HE3 . LYS A1 1 134 ? -29.727 30.947 -14.494 1.0 63.35 ? 124 A 1 -ATOM 2276 H HZ1 . LYS A1 1 134 ? -31.064 32.674 -15.148 1.0 81.04 ? 124 A 1 -ATOM 2277 H HZ2 . LYS A1 1 134 ? -31.855 31.46 -15.133 1.0 81.04 ? 124 A 1 -ATOM 2278 H HZ3 . LYS A1 1 134 ? -31.994 32.428 -14.064 1.0 81.04 ? 124 A 1 -ATOM 2279 N N . GLU A1 1 135 ? -30.19 25.274 -10.379 1.0 18.74 ? 125 A 1 -ATOM 2280 C CA . GLU A1 1 135 ? -30.693 24.349 -9.356 1.0 19.77 ? 125 A 1 -ATOM 2281 C C . GLU A1 1 135 ? -29.561 23.703 -8.6 1.0 17.22 ? 125 A 1 -ATOM 2282 O O . GLU A1 1 135 ? -29.648 23.534 -7.379 1.0 19.06 ? 125 A 1 -ATOM 2283 C CB . GLU A1 1 135 ? -31.586 23.271 -9.971 1.0 21.49 ? 125 A 1 -ATOM 2284 C CG . GLU A1 1 135 ? -32.895 23.816 -10.465 1.0 23.31 ? 125 A 1 -ATOM 2285 C CD . GLU A1 1 135 ? -33.636 24.498 -9.346 1.0 46.33 ? 125 A 1 -ATOM 2286 O OE1 . GLU A1 1 135 ? -33.863 23.851 -8.318 1.0 31.61 ? 125 A 1 -ATOM 2287 O OE2 . GLU A1 1 135 ? -33.893 25.699 -9.44 1.0 36.83 ? 125 A 1 -ATOM 2288 H H . GLU A1 1 135 ? -30.331 25.036 -11.193 1.0 22.49 ? 125 A 1 -ATOM 2289 H HA . GLU A1 1 135 ? -31.235 24.862 -8.736 1.0 23.72 ? 125 A 1 -ATOM 2290 H HB2 . GLU A1 1 135 ? -31.123 22.87 -10.723 1.0 25.78 ? 125 A 1 -ATOM 2291 H HB3 . GLU A1 1 135 ? -31.775 22.597 -9.3 1.0 25.78 ? 125 A 1 -ATOM 2292 H HG2 . GLU A1 1 135 ? -32.732 24.464 -11.169 1.0 27.97 ? 125 A 1 -ATOM 2293 H HG3 . GLU A1 1 135 ? -33.442 23.09 -10.803 1.0 27.97 ? 125 A 1 -ATOM 2294 N N . ILE A1 1 136 ? -28.478 23.299 -9.25 1.0 16.87 ? 126 A 1 -ATOM 2295 C CA . ILE A1 1 136 ? -27.406 22.628 -8.556 1.0 16.82 ? 126 A 1 -ATOM 2296 C C . ILE A1 1 136 ? -26.659 23.602 -7.672 1.0 16.47 ? 126 A 1 -ATOM 2297 O O . ILE A1 1 136 ? -26.235 23.246 -6.551 1.0 17.0 ? 126 A 1 -ATOM 2298 C CB . ILE A1 1 136 ? -26.489 21.878 -9.539 1.0 16.66 ? 126 A 1 -ATOM 2299 C CG1 . ILE A1 1 136 ? -27.303 20.81 -10.251 1.0 17.13 ? 126 A 1 -ATOM 2300 C CG2 . ILE A1 1 136 ? -25.303 21.289 -8.789 1.0 16.76 ? 126 A 1 -ATOM 2301 C CD1 . ILE A1 1 136 ? -26.543 20.113 -11.396 1.0 16.7 ? 126 A 1 -ATOM 2302 H H . ILE A1 1 136 ? -28.345 23.404 -10.094 1.0 20.25 ? 126 A 1 -ATOM 2303 H HA . ILE A1 1 136 ? -27.789 21.95 -7.977 1.0 20.19 ? 126 A 1 -ATOM 2304 H HB . ILE A1 1 136 ? -26.137 22.487 -10.207 1.0 19.99 ? 126 A 1 -ATOM 2305 H HG12 . ILE A1 1 136 ? -27.557 20.13 -9.607 1.0 20.56 ? 126 A 1 -ATOM 2306 H HG13 . ILE A1 1 136 ? -28.096 21.221 -10.629 1.0 20.56 ? 126 A 1 -ATOM 2307 H HG21 . ILE A1 1 136 ? -24.832 20.676 -9.374 1.0 20.11 ? 126 A 1 -ATOM 2308 H HG22 . ILE A1 1 136 ? -24.712 22.009 -8.519 1.0 20.11 ? 126 A 1 -ATOM 2309 H HG23 . ILE A1 1 136 ? -25.628 20.817 -8.006 1.0 20.11 ? 126 A 1 -ATOM 2310 H HD11 . ILE A1 1 136 ? -27.16 19.552 -11.89 1.0 20.03 ? 126 A 1 -ATOM 2311 H HD12 . ILE A1 1 136 ? -26.168 20.789 -11.983 1.0 20.03 ? 126 A 1 -ATOM 2312 H HD13 . ILE A1 1 136 ? -25.832 19.572 -11.019 1.0 20.03 ? 126 A 1 -ATOM 2313 N N . LYS A1 1 137 ? -26.519 24.854 -8.07 1.0 16.93 ? 127 A 1 -ATOM 2314 C CA . LYS A1 1 137 ? -25.833 25.821 -7.245 1.0 16.98 ? 127 A 1 -ATOM 2315 C C . LYS A1 1 137 ? -26.57 26.077 -5.933 1.0 17.71 ? 127 A 1 -ATOM 2316 O O . LYS A1 1 137 ? -25.908 26.372 -4.92 1.0 19.25 ? 127 A 1 -ATOM 2317 C CB . LYS A1 1 137 ? -25.619 27.137 -7.997 1.0 17.84 ? 127 A 1 -ATOM 2318 C CG . LYS A1 1 137 ? -24.492 27.029 -9.077 1.0 17.36 ? 127 A 1 -ATOM 2319 C CD . LYS A1 1 137 ? -23.122 26.709 -8.519 1.0 19.07 ? 127 A 1 -ATOM 2320 C CE . LYS A1 1 137 ? -22.619 27.882 -7.761 1.0 20.9 ? 127 A 1 -ATOM 2321 N NZ . LYS A1 1 137 ? -21.329 27.563 -7.14 1.0 21.64 ? 127 A 1 -ATOM 2322 H H . LYS A1 1 137 ? -26.812 25.167 -8.815 1.0 20.32 ? 127 A 1 -ATOM 2323 H HA . LYS A1 1 137 ? -24.957 25.46 -7.036 1.0 20.38 ? 127 A 1 -ATOM 2324 H HB2 . LYS A1 1 137 ? -26.443 27.385 -8.445 1.0 21.41 ? 127 A 1 -ATOM 2325 H HB3 . LYS A1 1 137 ? -25.365 27.826 -7.364 1.0 21.41 ? 127 A 1 -ATOM 2326 H HG2 . LYS A1 1 137 ? -24.726 26.324 -9.701 1.0 20.84 ? 127 A 1 -ATOM 2327 H HG3 . LYS A1 1 137 ? -24.427 27.877 -9.544 1.0 20.84 ? 127 A 1 -ATOM 2328 H HD2 . LYS A1 1 137 ? -23.179 25.948 -7.919 1.0 22.89 ? 127 A 1 -ATOM 2329 H HD3 . LYS A1 1 137 ? -22.507 26.515 -9.243 1.0 22.89 ? 127 A 1 -ATOM 2330 H HE2 . LYS A1 1 137 ? -22.497 28.633 -8.364 1.0 25.08 ? 127 A 1 -ATOM 2331 H HE3 . LYS A1 1 137 ? -23.251 28.116 -7.063 1.0 25.08 ? 127 A 1 -ATOM 2332 H HZ1 . LYS A1 1 137 ? -21.424 26.884 -6.573 1.0 25.97 ? 127 A 1 -ATOM 2333 H HZ2 . LYS A1 1 137 ? -20.738 27.336 -7.765 1.0 25.97 ? 127 A 1 -ATOM 2334 H HZ3 . LYS A1 1 137 ? -21.022 28.27 -6.695 1.0 25.97 ? 127 A 1 -ATOM 2335 N N . LYS A1 1 138 ? -27.876 25.872 -5.888 1.0 17.14 ? 128 A 1 -ATOM 2336 C CA . LYS A1 1 138 ? -28.618 25.978 -4.634 1.0 17.79 ? 128 A 1 -ATOM 2337 C C . LYS A1 1 138 ? -28.208 24.897 -3.629 1.0 17.59 ? 128 A 1 -ATOM 2338 O O . LYS A1 1 138 ? -28.516 25.045 -2.436 1.0 18.27 ? 128 A 1 -ATOM 2339 C CB . LYS A1 1 138 ? -30.125 25.887 -4.903 1.0 19.53 ? 128 A 1 -ATOM 2340 C CG . LYS A1 1 138 ? -30.653 27.036 -5.743 1.0 20.47 ? 128 A 1 -ATOM 2341 C CD . LYS A1 1 138 ? -32.128 26.89 -6.009 1.0 24.65 ? 128 A 1 -ATOM 2342 C CE . LYS A1 1 138 ? -32.611 27.993 -6.943 1.0 29.55 ? 128 A 1 -ATOM 2343 N NZ . LYS A1 1 138 ? -34.01 27.755 -7.363 1.0 39.49 ? 128 A 1 -ATOM 2344 H H . LYS A1 1 138 ? -28.361 25.668 -6.568 1.0 20.57 ? 128 A 1 -ATOM 2345 H HA . LYS A1 1 138 ? -28.435 26.845 -4.239 1.0 21.35 ? 128 A 1 -ATOM 2346 H HB2 . LYS A1 1 138 ? -30.31 25.061 -5.378 1.0 23.44 ? 128 A 1 -ATOM 2347 H HB3 . LYS A1 1 138 ? -30.596 25.895 -4.056 1.0 23.44 ? 128 A 1 -ATOM 2348 H HG2 . LYS A1 1 138 ? -30.51 27.872 -5.272 1.0 24.57 ? 128 A 1 -ATOM 2349 H HG3 . LYS A1 1 138 ? -30.189 27.052 -6.595 1.0 24.57 ? 128 A 1 -ATOM 2350 H HD2 . LYS A1 1 138 ? -32.299 26.032 -6.429 1.0 29.58 ? 128 A 1 -ATOM 2351 H HD3 . LYS A1 1 138 ? -32.617 26.955 -5.175 1.0 29.58 ? 128 A 1 -ATOM 2352 H HE2 . LYS A1 1 138 ? -32.568 28.847 -6.485 1.0 35.46 ? 128 A 1 -ATOM 2353 H HE3 . LYS A1 1 138 ? -32.051 28.014 -7.736 1.0 35.46 ? 128 A 1 -ATOM 2354 H HZ1 . LYS A1 1 138 ? -34.278 28.404 -7.909 1.0 47.38 ? 128 A 1 -ATOM 2355 H HZ2 . LYS A1 1 138 ? -34.072 26.976 -7.788 1.0 47.38 ? 128 A 1 -ATOM 2356 H HZ3 . LYS A1 1 138 ? -34.542 27.739 -6.65 1.0 47.38 ? 128 A 1 -ATOM 2357 N N . MET A1 1 139 ? -27.548 23.847 -4.051 1.0 17.96 ? 129 A 1 -ATOM 2358 C CA . MET A1 1 139 ? -27.159 22.735 -3.185 1.0 17.99 ? 129 A 1 -ATOM 2359 C C . MET A1 1 139 ? -25.878 23.031 -2.452 1.0 20.55 ? 129 A 1 -ATOM 2360 O O . MET A1 1 139 ? -25.442 22.179 -1.669 1.0 22.4 ? 129 A 1 -ATOM 2361 C CB . MET A1 1 139 ? -27.044 21.46 -4.008 1.0 18.54 ? 129 A 1 -ATOM 2362 C CG . MET A1 1 139 ? -28.289 21.087 -4.769 1.0 18.58 ? 129 A 1 -ATOM 2363 S SD . MET A1 1 139 ? -28.029 19.662 -5.815 1.0 18.99 ? 129 A 1 -ATOM 2364 C CE . MET A1 1 139 ? -29.589 19.709 -6.729 1.0 22.17 ? 129 A 1 -ATOM 2365 H H . MET A1 1 139 ? -27.299 23.739 -4.867 1.0 21.55 ? 129 A 1 -ATOM 2366 H HA . MET A1 1 139 ? -27.852 22.567 -2.527 1.0 21.59 ? 129 A 1 -ATOM 2367 H HB2 . MET A1 1 139 ? -26.329 21.573 -4.654 1.0 22.25 ? 129 A 1 -ATOM 2368 H HB3 . MET A1 1 139 ? -26.836 20.725 -3.409 1.0 22.25 ? 129 A 1 -ATOM 2369 H HG2 . MET A1 1 139 ? -28.998 20.878 -4.14 1.0 22.29 ? 129 A 1 -ATOM 2370 H HG3 . MET A1 1 139 ? -28.555 21.832 -5.331 1.0 22.29 ? 129 A 1 -ATOM 2371 H HE1 . MET A1 1 139 ? -29.606 18.977 -7.365 1.0 26.61 ? 129 A 1 -ATOM 2372 H HE2 . MET A1 1 139 ? -30.325 19.621 -6.103 1.0 26.61 ? 129 A 1 -ATOM 2373 H HE3 . MET A1 1 139 ? -29.654 20.556 -7.199 1.0 26.61 ? 129 A 1 -ATOM 2374 N N . GLY A1 1 140 ? -25.212 24.152 -2.691 1.0 16.86 ? 130 A 1 -ATOM 2375 C CA . GLY A1 1 140 ? -24.04 24.516 -1.921 1.0 18.96 ? 130 A 1 -ATOM 2376 C C . GLY A1 1 140 ? -22.727 23.95 -2.397 1.0 18.87 ? 130 A 1 -ATOM 2377 O O . GLY A1 1 140 ? -21.744 23.892 -1.638 1.0 20.3 ? 130 A 1 -ATOM 2378 H H . GLY A1 1 140 ? -25.422 24.722 -3.3 1.0 20.23 ? 130 A 1 -ATOM 2379 H HA2 . GLY A1 1 140 ? -23.959 25.482 -1.928 1.0 22.75 ? 130 A 1 -ATOM 2380 H HA3 . GLY A1 1 140 ? -24.17 24.216 -1.008 1.0 22.75 ? 130 A 1 -ATOM 2381 N N . VAL A1 1 141 ? -22.65 23.574 -3.659 1.0 16.33 ? 131 A 1 -ATOM 2382 C CA . VAL A1 1 141 ? -21.482 22.943 -4.27 1.0 16.2 ? 131 A 1 -ATOM 2383 C C . VAL A1 1 141 ? -20.997 23.767 -5.466 1.0 15.36 ? 131 A 1 -ATOM 2384 O O . VAL A1 1 141 ? -21.696 24.641 -5.97 1.0 17.31 ? 131 A 1 -ATOM 2385 C CB . VAL A1 1 141 ? -21.766 21.487 -4.682 1.0 16.54 ? 131 A 1 -ATOM 2386 C CG1 . VAL A1 1 141 ? -22.029 20.654 -3.438 1.0 19.47 ? 131 A 1 -ATOM 2387 C CG2 . VAL A1 1 141 ? -22.888 21.44 -5.733 1.0 18.49 ? 131 A 1 -ATOM 2388 H H . VAL A1 1 141 ? -23.294 23.678 -4.219 1.0 19.59 ? 131 A 1 -ATOM 2389 H HA . VAL A1 1 141 ? -20.762 22.948 -3.619 1.0 19.44 ? 131 A 1 -ATOM 2390 H HB . VAL A1 1 141 ? -20.996 21.087 -5.115 1.0 19.84 ? 131 A 1 -ATOM 2391 H HG11 . VAL A1 1 141 ? -22.086 19.719 -3.691 1.0 23.36 ? 131 A 1 -ATOM 2392 H HG12 . VAL A1 1 141 ? -21.301 20.783 -2.811 1.0 23.36 ? 131 A 1 -ATOM 2393 H HG13 . VAL A1 1 141 ? -22.865 20.94 -3.038 1.0 23.36 ? 131 A 1 -ATOM 2394 H HG21 . VAL A1 1 141 ? -23.115 20.514 -5.912 1.0 22.19 ? 131 A 1 -ATOM 2395 H HG22 . VAL A1 1 141 ? -23.664 21.909 -5.388 1.0 22.19 ? 131 A 1 -ATOM 2396 H HG23 . VAL A1 1 141 ? -22.578 21.868 -6.546 1.0 22.19 ? 131 A 1 -ATOM 2397 N N . ALA A1 1 142 ? -19.8 23.446 -5.924 1.0 14.53 ? 132 A 1 -ATOM 2398 C CA . ALA A1 1 142 ? -19.285 24.01 -7.175 1.0 14.5 ? 132 A 1 -ATOM 2399 C C . ALA A1 1 142 ? -19.84 23.24 -8.361 1.0 14.41 ? 132 A 1 -ATOM 2400 O O . ALA A1 1 142 ? -20.17 22.058 -8.255 1.0 14.0 ? 132 A 1 -ATOM 2401 C CB . ALA A1 1 142 ? -17.772 23.902 -7.196 1.0 15.14 ? 132 A 1 -ATOM 2402 H H . ALA A1 1 142 ? -19.26 22.903 -5.533 1.0 17.44 ? 132 A 1 -ATOM 2403 H HA . ALA A1 1 142 ? -19.545 24.941 -7.249 1.0 17.4 ? 132 A 1 -ATOM 2404 H HB1 . ALA A1 1 142 ? -17.442 24.259 -8.035 1.0 18.17 ? 132 A 1 -ATOM 2405 H HB2 . ALA A1 1 142 ? -17.409 24.41 -6.454 1.0 18.17 ? 132 A 1 -ATOM 2406 H HB3 . ALA A1 1 142 ? -17.521 22.968 -7.112 1.0 18.17 ? 132 A 1 -ATOM 2407 N N . VAL A1 1 143 ? -19.96 23.939 -9.484 1.0 14.13 ? 133 A 1 -ATOM 2408 C CA . VAL A1 1 143 ? -20.405 23.344 -10.743 1.0 13.94 ? 133 A 1 -ATOM 2409 C C . VAL A1 1 143 ? -19.333 23.551 -11.796 1.0 14.39 ? 133 A 1 -ATOM 2410 O O . VAL A1 1 143 ? -18.883 24.686 -12.05 1.0 14.63 ? 133 A 1 -ATOM 2411 C CB . VAL A1 1 143 ? -21.728 23.926 -11.204 1.0 14.94 ? 133 A 1 -ATOM 2412 C CG1 . VAL A1 1 143 ? -22.057 23.464 -12.623 1.0 16.57 ? 133 A 1 -ATOM 2413 C CG2 . VAL A1 1 143 ? -22.834 23.507 -10.242 1.0 16.54 ? 133 A 1 -ATOM 2414 H H . VAL A1 1 143 ? -19.787 24.78 -9.544 1.0 16.96 ? 133 A 1 -ATOM 2415 H HA . VAL A1 1 143 ? -20.515 22.389 -10.612 1.0 16.73 ? 133 A 1 -ATOM 2416 H HB . VAL A1 1 143 ? -21.665 24.894 -11.213 1.0 17.92 ? 133 A 1 -ATOM 2417 H HG11 . VAL A1 1 143 ? -23.0 23.616 -12.794 1.0 19.88 ? 133 A 1 -ATOM 2418 H HG12 . VAL A1 1 143 ? -21.521 23.971 -13.252 1.0 19.88 ? 133 A 1 -ATOM 2419 H HG13 . VAL A1 1 143 ? -21.855 22.519 -12.702 1.0 19.88 ? 133 A 1 -ATOM 2420 H HG21 . VAL A1 1 143 ? -23.672 23.898 -10.535 1.0 19.85 ? 133 A 1 -ATOM 2421 H HG22 . VAL A1 1 143 ? -22.902 22.539 -10.242 1.0 19.85 ? 133 A 1 -ATOM 2422 H HG23 . VAL A1 1 143 ? -22.614 23.823 -9.352 1.0 19.85 ? 133 A 1 -ATOM 2423 N N . THR A1 1 144 ? -18.962 22.461 -12.445 1.0 12.72 ? 134 A 1 -ATOM 2424 C CA . THR A1 1 144 ? -18.064 22.447 -13.596 1.0 12.7 ? 134 A 1 -ATOM 2425 C C . THR A1 1 144 ? -18.851 21.987 -14.805 1.0 13.16 ? 134 A 1 -ATOM 2426 O O . THR A1 1 144 ? -19.548 20.973 -14.742 1.0 14.3 ? 134 A 1 -ATOM 2427 C CB . THR A1 1 144 ? -16.914 21.512 -13.383 1.0 13.07 ? 134 A 1 -ATOM 2428 O OG1 . THR A1 1 144 ? -16.163 22.04 -12.249 1.0 14.42 ? 134 A 1 -ATOM 2429 C CG2 . THR A1 1 144 ? -15.999 21.41 -14.599 1.0 13.95 ? 134 A 1 -ATOM 2430 H H . THR A1 1 144 ? -19.229 21.672 -12.228 1.0 15.27 ? 134 A 1 -ATOM 2431 H HA . THR A1 1 144 ? -17.714 23.339 -13.743 1.0 15.24 ? 134 A 1 -ATOM 2432 H HB . THR A1 1 144 ? -17.237 20.611 -13.225 1.0 15.68 ? 134 A 1 -ATOM 2433 H HG1 . THR A1 1 144 ? -15.493 21.557 -12.098 1.0 17.31 ? 134 A 1 -ATOM 2434 H HG21 . THR A1 1 144 ? -15.185 20.939 -14.363 1.0 16.74 ? 134 A 1 -ATOM 2435 H HG22 . THR A1 1 144 ? -16.447 20.927 -15.311 1.0 16.74 ? 134 A 1 -ATOM 2436 H HG23 . THR A1 1 144 ? -15.769 22.297 -14.917 1.0 16.74 ? 134 A 1 -ATOM 2437 N N . LEU A1 1 145 ? -18.748 22.731 -15.921 1.0 13.36 ? 135 A 1 -ATOM 2438 C CA . LEU A1 1 145 ? -19.361 22.335 -17.195 1.0 12.46 ? 135 A 1 -ATOM 2439 C C . LEU A1 1 145 ? -18.287 21.798 -18.119 1.0 12.7 ? 135 A 1 -ATOM 2440 O O . LEU A1 1 145 ? -17.165 22.285 -18.139 1.0 12.96 ? 135 A 1 -ATOM 2441 C CB . LEU A1 1 145 ? -20.052 23.529 -17.832 1.0 13.9 ? 135 A 1 -ATOM 2442 C CG . LEU A1 1 145 ? -21.195 24.155 -17.011 1.0 13.81 ? 135 A 1 -ATOM 2443 C CD1 . LEU A1 1 145 ? -21.793 25.313 -17.754 1.0 15.57 ? 135 A 1 -ATOM 2444 C CD2 . LEU A1 1 145 ? -22.251 23.12 -16.737 1.0 15.0 ? 135 A 1 -ATOM 2445 H H . LEU A1 1 145 ? -18.323 23.477 -15.962 1.0 16.04 ? 135 A 1 -ATOM 2446 H HA . LEU A1 1 145 ? -20.024 21.64 -17.058 1.0 14.96 ? 135 A 1 -ATOM 2447 H HB2 . LEU A1 1 145 ? -19.389 24.222 -17.977 1.0 16.68 ? 135 A 1 -ATOM 2448 H HB3 . LEU A1 1 145 ? -20.428 23.246 -18.68 1.0 16.68 ? 135 A 1 -ATOM 2449 H HG . LEU A1 1 145 ? -20.847 24.48 -16.166 1.0 16.58 ? 135 A 1 -ATOM 2450 H HD11 . LEU A1 1 145 ? -22.506 25.697 -17.22 1.0 18.69 ? 135 A 1 -ATOM 2451 H HD12 . LEU A1 1 145 ? -21.104 25.976 -17.913 1.0 18.69 ? 135 A 1 -ATOM 2452 H HD13 . LEU A1 1 145 ? -22.148 24.996 -18.6 1.0 18.69 ? 135 A 1 -ATOM 2453 H HD21 . LEU A1 1 145 ? -23.026 23.555 -16.35 1.0 18.0 ? 135 A 1 -ATOM 2454 H HD22 . LEU A1 1 145 ? -22.495 22.689 -17.571 1.0 18.0 ? 135 A 1 -ATOM 2455 H HD23 . LEU A1 1 145 ? -21.896 22.463 -16.118 1.0 18.0 ? 135 A 1 -ATOM 2456 N N . SER A1 1 146 ? -18.672 20.805 -18.931 1.0 12.28 ? 136 A 1 -ATOM 2457 C CA . SER A1 1 146 ? -17.774 20.235 -19.944 1.0 12.79 ? 136 A 1 -ATOM 2458 C C . SER A1 1 146 ? -18.641 19.836 -21.141 1.0 12.24 ? 136 A 1 -ATOM 2459 O O . SER A1 1 146 ? -18.982 18.688 -21.331 1.0 12.39 ? 136 A 1 -ATOM 2460 C CB . SER A1 1 146 ? -17.047 19.061 -19.299 1.0 12.59 ? 136 A 1 -ATOM 2461 O OG . SER A1 1 146 ? -16.072 18.477 -20.167 1.0 13.06 ? 136 A 1 -ATOM 2462 H H . SER A1 1 146 ? -19.452 20.443 -18.914 1.0 14.73 ? 136 A 1 -ATOM 2463 H HA . SER A1 1 146 ? -17.13 20.873 -20.289 1.0 15.34 ? 136 A 1 -ATOM 2464 H HB2 . SER A1 1 146 ? -16.599 19.377 -18.499 1.0 15.11 ? 136 A 1 -ATOM 2465 H HB3 . SER A1 1 146 ? -17.7 18.382 -19.068 1.0 15.11 ? 136 A 1 -ATOM 2466 H HG . SER A1 1 146 ? -15.478 19.041 -20.351 1.0 15.67 ? 136 A 1 -ATOM 2467 N N . LEU A1 1 147 ? -19.044 20.849 -21.906 1.0 12.26 ? 137 A 1 -ATOM 2468 C CA . LEU A1 1 147 ? -20.071 20.708 -22.934 1.0 12.74 ? 137 A 1 -ATOM 2469 C C . LEU A1 1 147 ? -19.539 20.945 -24.34 1.0 13.2 ? 137 A 1 -ATOM 2470 O O . LEU A1 1 147 ? -20.326 20.889 -25.271 1.0 14.1 ? 137 A 1 -ATOM 2471 C CB . LEU A1 1 147 ? -21.248 21.666 -22.664 1.0 13.04 ? 137 A 1 -ATOM 2472 C CG . LEU A1 1 147 ? -21.771 21.701 -21.208 1.0 12.19 ? 137 A 1 -ATOM 2473 C CD1 . LEU A1 1 147 ? -22.877 22.696 -21.096 1.0 14.3 ? 137 A 1 -ATOM 2474 C CD2 . LEU A1 1 147 ? -22.177 20.309 -20.731 1.0 15.39 ? 137 A 1 -ATOM 2475 H H . LEU A1 1 147 ? -18.731 21.648 -21.846 1.0 14.71 ? 137 A 1 -ATOM 2476 H HA . LEU A1 1 147 ? -20.418 19.803 -22.895 1.0 15.28 ? 137 A 1 -ATOM 2477 H HB2 . LEU A1 1 147 ? -20.963 22.566 -22.889 1.0 15.65 ? 137 A 1 -ATOM 2478 H HB3 . LEU A1 1 147 ? -21.99 21.402 -23.23 1.0 15.65 ? 137 A 1 -ATOM 2479 H HG . LEU A1 1 147 ? -21.064 21.986 -20.609 1.0 14.63 ? 137 A 1 -ATOM 2480 H HD11 . LEU A1 1 147 ? -23.217 22.689 -20.188 1.0 17.16 ? 137 A 1 -ATOM 2481 H HD12 . LEU A1 1 147 ? -22.533 23.576 -21.314 1.0 17.16 ? 137 A 1 -ATOM 2482 H HD13 . LEU A1 1 147 ? -23.583 22.454 -21.716 1.0 17.16 ? 137 A 1 -ATOM 2483 H HD21 . LEU A1 1 147 ? -22.568 20.379 -19.847 1.0 18.46 ? 137 A 1 -ATOM 2484 H HD22 . LEU A1 1 147 ? -22.825 19.939 -21.351 1.0 18.46 ? 137 A 1 -ATOM 2485 H HD23 . LEU A1 1 147 ? -21.389 19.744 -20.7 1.0 18.46 ? 137 A 1 -ATOM 2486 N N . GLY A1 1 148 ? -18.263 21.22 -24.49 1.0 13.1 ? 138 A 1 -ATOM 2487 C CA . GLY A1 1 148 ? -17.7 21.478 -25.82 1.0 13.04 ? 138 A 1 -ATOM 2488 C C . GLY A1 1 148 ? -17.673 22.943 -26.17 1.0 13.25 ? 138 A 1 -ATOM 2489 O O . GLY A1 1 148 ? -17.632 23.838 -25.307 1.0 13.85 ? 138 A 1 -ATOM 2490 H H . GLY A1 1 148 ? -17.694 21.267 -23.846 1.0 15.72 ? 138 A 1 -ATOM 2491 H HA2 . GLY A1 1 148 ? -16.79 21.141 -25.852 1.0 15.65 ? 138 A 1 -ATOM 2492 H HA3 . GLY A1 1 148 ? -18.231 21.015 -26.486 1.0 15.65 ? 138 A 1 -ATOM 2493 N N . GLU A1 1 149 ? -17.631 23.17 -27.487 1.0 13.38 ? 139 A 1 -ATOM 2494 C CA . GLU A1 1 149 ? -17.408 24.481 -28.099 1.0 13.65 ? 139 A 1 -ATOM 2495 C C . GLU A1 1 149 ? -18.739 25.13 -28.435 1.0 15.2 ? 139 A 1 -ATOM 2496 O O . GLU A1 1 149 ? -19.528 24.605 -29.22 1.0 16.11 ? 139 A 1 -ATOM 2497 C CB . GLU A1 1 149 ? -16.609 24.311 -29.394 1.0 13.93 ? 139 A 1 -ATOM 2498 C CG . GLU A1 1 149 ? -15.241 23.744 -29.161 1.0 15.54 ? 139 A 1 -ATOM 2499 C CD . GLU A1 1 149 ? -14.51 23.319 -30.398 1.0 14.31 ? 139 A 1 -ATOM 2500 O OE1 . GLU A1 1 149 ? -14.749 23.922 -31.467 1.0 16.27 ? 139 A 1 -ATOM 2501 O OE2 . GLU A1 1 149 ? -13.648 22.444 -30.306 1.0 15.33 ? 139 A 1 -ATOM 2502 H H . GLU A1 1 149 ? -17.733 22.55 -28.074 1.0 16.05 ? 139 A 1 -ATOM 2503 H HA . GLU A1 1 149 ? -16.929 25.045 -27.471 1.0 16.38 ? 139 A 1 -ATOM 2504 H HB2 . GLU A1 1 149 ? -17.088 23.708 -29.983 1.0 16.72 ? 139 A 1 -ATOM 2505 H HB3 . GLU A1 1 149 ? -16.507 25.177 -29.818 1.0 16.72 ? 139 A 1 -ATOM 2506 H HG2 . GLU A1 1 149 ? -14.7 24.419 -28.722 1.0 18.65 ? 139 A 1 -ATOM 2507 H HG3 . GLU A1 1 149 ? -15.325 22.964 -28.591 1.0 18.65 ? 139 A 1 -ATOM 2508 N N . TRP A1 1 150 ? -19.013 26.305 -27.813 1.0 16.31 ? 140 A 1 -ATOM 2509 C CA . TRP A1 1 150 ? -20.259 27.047 -27.982 1.0 15.36 ? 140 A 1 -ATOM 2510 C C . TRP A1 1 150 ? -19.942 28.525 -28.117 1.0 16.76 ? 140 A 1 -ATOM 2511 O O . TRP A1 1 150 ? -18.855 28.961 -27.728 1.0 19.63 ? 140 A 1 -ATOM 2512 C CB . TRP A1 1 150 ? -21.244 26.757 -26.801 1.0 16.48 ? 140 A 1 -ATOM 2513 C CG . TRP A1 1 150 ? -21.649 25.302 -26.78 1.0 15.82 ? 140 A 1 -ATOM 2514 C CD1 . TRP A1 1 150 ? -21.092 24.313 -26.014 1.0 14.09 ? 140 A 1 -ATOM 2515 C CD2 . TRP A1 1 150 ? -22.613 24.66 -27.619 1.0 15.34 ? 140 A 1 -ATOM 2516 N NE1 . TRP A1 1 150 ? -21.625 23.091 -26.352 1.0 15.09 ? 140 A 1 -ATOM 2517 C CE2 . TRP A1 1 150 ? -22.563 23.277 -27.344 1.0 16.02 ? 140 A 1 -ATOM 2518 C CE3 . TRP A1 1 150 ? -23.48 25.121 -28.63 1.0 17.63 ? 140 A 1 -ATOM 2519 C CZ2 . TRP A1 1 150 ? -23.379 22.365 -27.983 1.0 17.53 ? 140 A 1 -ATOM 2520 C CZ3 . TRP A1 1 150 ? -24.295 24.219 -29.238 1.0 19.93 ? 140 A 1 -ATOM 2521 C CH2 . TRP A1 1 150 ? -24.224 22.844 -28.962 1.0 18.65 ? 140 A 1 -ATOM 2522 H H . TRP A1 1 150 ? -18.467 26.693 -27.274 1.0 19.57 ? 140 A 1 -ATOM 2523 H HA . TRP A1 1 150 ? -20.712 26.767 -28.793 1.0 18.43 ? 140 A 1 -ATOM 2524 H HB2 . TRP A1 1 150 ? -20.809 26.967 -25.959 1.0 19.78 ? 140 A 1 -ATOM 2525 H HB3 . TRP A1 1 150 ? -22.042 27.297 -26.906 1.0 19.78 ? 140 A 1 -ATOM 2526 H HD1 . TRP A1 1 150 ? -20.445 24.447 -25.359 1.0 16.91 ? 140 A 1 -ATOM 2527 H HE1 . TRP A1 1 150 ? -21.41 22.336 -26.002 1.0 18.1 ? 140 A 1 -ATOM 2528 H HE3 . TRP A1 1 150 ? -23.494 26.018 -28.875 1.0 21.16 ? 140 A 1 -ATOM 2529 H HZ2 . TRP A1 1 150 ? -23.36 21.462 -27.761 1.0 21.04 ? 140 A 1 -ATOM 2530 H HZ3 . TRP A1 1 150 ? -24.92 24.522 -29.857 1.0 23.92 ? 140 A 1 -ATOM 2531 H HH2 . TRP A1 1 150 ? -24.753 22.251 -29.445 1.0 22.38 ? 140 A 1 -ATOM 2532 N N . PRO A1 1 151 ? -20.932 29.315 -28.539 1.0 18.3 ? 141 A 1 -ATOM 2533 C CA . PRO A1 1 151 ? -20.713 30.748 -28.626 1.0 19.87 ? 141 A 1 -ATOM 2534 C C . PRO A1 1 151 ? -20.437 31.384 -27.293 1.0 19.85 ? 141 A 1 -ATOM 2535 O O . PRO A1 1 151 ? -20.884 30.932 -26.234 1.0 19.12 ? 141 A 1 -ATOM 2536 C CB . PRO A1 1 151 ? -22.035 31.273 -29.203 1.0 22.63 ? 141 A 1 -ATOM 2537 C CG . PRO A1 1 151 ? -22.593 30.093 -29.955 1.0 22.0 ? 141 A 1 -ATOM 2538 C CD . PRO A1 1 151 ? -22.229 28.915 -29.105 1.0 18.04 ? 141 A 1 -ATOM 2539 H HA . PRO A1 1 151 ? -19.972 30.927 -29.227 1.0 23.85 ? 141 A 1 -ATOM 2540 H HB2 . PRO A1 1 151 ? -22.628 31.546 -28.486 1.0 27.15 ? 141 A 1 -ATOM 2541 H HB3 . PRO A1 1 151 ? -21.867 32.021 -29.798 1.0 27.15 ? 141 A 1 -ATOM 2542 H HG2 . PRO A1 1 151 ? -23.555 30.177 -30.043 1.0 26.4 ? 141 A 1 -ATOM 2543 H HG3 . PRO A1 1 151 ? -22.184 30.031 -30.832 1.0 26.4 ? 141 A 1 -ATOM 2544 H HD2 . PRO A1 1 151 ? -22.885 28.775 -28.405 1.0 21.65 ? 141 A 1 -ATOM 2545 H HD3 . PRO A1 1 151 ? -22.141 28.112 -29.642 1.0 21.65 ? 141 A 1 -ATOM 2546 N N . ARG A1 1 152 ? -19.733 32.509 -27.357 1.0 20.55 ? 142 A 1 -ATOM 2547 C CA A ARG A1 1 152 ? -19.456 33.275 -26.146 0.54 24.03 ? 142 A 1 -ATOM 2548 C CA B ARG A1 1 152 ? -19.457 33.271 -26.145 0.46 19.67 ? 142 A 1 -ATOM 2549 C C . ARG A1 1 152 ? -20.733 33.568 -25.36 1.0 18.71 ? 142 A 1 -ATOM 2550 O O . ARG A1 1 152 ? -20.745 33.537 -24.126 1.0 20.15 ? 142 A 1 -ATOM 2551 C CB A ARG A1 1 152 ? -18.765 34.59 -26.515 0.54 35.57 ? 142 A 1 -ATOM 2552 C CB B ARG A1 1 152 ? -18.763 34.59 -26.498 0.46 18.66 ? 142 A 1 -ATOM 2553 C CG A ARG A1 1 152 ? -18.522 35.519 -25.344 0.54 28.36 ? 142 A 1 -ATOM 2554 C CG B ARG A1 1 152 ? -18.684 35.581 -25.332 0.46 27.14 ? 142 A 1 -ATOM 2555 C CD A ARG A1 1 152 ? -17.933 36.847 -25.787 0.54 33.91 ? 142 A 1 -ATOM 2556 C CD B ARG A1 1 152 ? -18.059 36.898 -25.752 0.46 35.05 ? 142 A 1 -ATOM 2557 N NE A ARG A1 1 152 ? -17.591 37.643 -24.61 0.54 54.69 ? 142 A 1 -ATOM 2558 N NE B ARG A1 1 152 ? -16.989 37.29 -24.836 0.46 40.24 ? 142 A 1 -ATOM 2559 C CZ A ARG A1 1 152 ? -16.359 37.808 -24.134 0.54 46.38 ? 142 A 1 -ATOM 2560 C CZ B ARG A1 1 152 ? -17.153 37.986 -23.714 0.46 55.66 ? 142 A 1 -ATOM 2561 N NH1 A ARG A1 1 152 ? -16.177 38.542 -23.046 0.54 88.15 ? 142 A 1 -ATOM 2562 N NH1 B ARG A1 1 152 ? -16.094 38.276 -22.975 0.46 82.11 ? 142 A 1 -ATOM 2563 N NH2 A ARG A1 1 152 ? -15.314 37.265 -24.748 0.54 34.07 ? 142 A 1 -ATOM 2564 N NH2 B ARG A1 1 152 ? -18.357 38.396 -23.324 0.46 41.89 ? 142 A 1 -ATOM 2565 H H A ARG A1 1 152 ? -19.409 32.848 -28.078 0.54 24.66 ? 142 A 1 -ATOM 2566 H H B ARG A1 1 152 ? -19.41 32.849 -28.078 0.46 24.66 ? 142 A 1 -ATOM 2567 H HA A ARG A1 1 152 ? -18.864 32.754 -25.581 0.54 28.83 ? 142 A 1 -ATOM 2568 H HA B ARG A1 1 152 ? -18.865 32.742 -25.587 0.46 23.6 ? 142 A 1 -ATOM 2569 H HB2 A ARG A1 1 152 ? -17.904 34.387 -26.912 0.54 42.69 ? 142 A 1 -ATOM 2570 H HB2 B ARG A1 1 152 ? -17.857 34.398 -26.784 0.46 22.39 ? 142 A 1 -ATOM 2571 H HB3 A ARG A1 1 152 ? -19.321 35.063 -27.154 0.54 42.69 ? 142 A 1 -ATOM 2572 H HB3 B ARG A1 1 152 ? -19.255 35.017 -27.217 0.46 22.39 ? 142 A 1 -ATOM 2573 H HG2 A ARG A1 1 152 ? -19.364 35.695 -24.895 0.54 34.04 ? 142 A 1 -ATOM 2574 H HG2 B ARG A1 1 152 ? -19.579 35.761 -25.004 0.46 32.57 ? 142 A 1 -ATOM 2575 H HG3 A ARG A1 1 152 ? -17.899 35.101 -24.729 0.54 34.04 ? 142 A 1 -ATOM 2576 H HG3 B ARG A1 1 152 ? -18.142 35.2 -24.624 0.46 32.57 ? 142 A 1 -ATOM 2577 H HD2 A ARG A1 1 152 ? -17.129 36.693 -26.307 0.54 40.7 ? 142 A 1 -ATOM 2578 H HD2 B ARG A1 1 152 ? -17.683 36.808 -26.642 0.46 42.06 ? 142 A 1 -ATOM 2579 H HD3 A ARG A1 1 152 ? -18.583 37.334 -26.317 0.54 40.7 ? 142 A 1 -ATOM 2580 H HD3 B ARG A1 1 152 ? -18.736 37.593 -25.748 0.46 42.06 ? 142 A 1 -ATOM 2581 H HE A ARG A1 1 152 ? -18.234 38.034 -24.193 0.54 65.63 ? 142 A 1 -ATOM 2582 H HE B ARG A1 1 152 ? -16.189 37.05 -25.039 0.46 48.29 ? 142 A 1 -ATOM 2583 H HH11 A ARG A1 1 152 ? -16.851 38.905 -22.655 0.54 105.78 ? 142 A 1 -ATOM 2584 H HH11 B ARG A1 1 152 ? -15.312 38.014 -23.222 0.46 98.53 ? 142 A 1 -ATOM 2585 H HH12 A ARG A1 1 152 ? -15.385 38.654 -22.731 0.54 105.78 ? 142 A 1 -ATOM 2586 H HH12 B ARG A1 1 152 ? -16.186 38.725 -22.248 0.46 98.53 ? 142 A 1 -ATOM 2587 H HH21 A ARG A1 1 152 ? -15.429 36.8 -25.462 0.54 40.88 ? 142 A 1 -ATOM 2588 H HH21 B ARG A1 1 152 ? -19.049 38.212 -23.799 0.46 50.27 ? 142 A 1 -ATOM 2589 H HH22 A ARG A1 1 152 ? -14.523 37.379 -24.431 0.54 40.88 ? 142 A 1 -ATOM 2590 H HH22 B ARG A1 1 152 ? -18.443 38.845 -22.595 0.46 50.27 ? 142 A 1 -ATOM 2591 N N . GLU A1 1 153 ? -21.824 33.888 -26.053 1.0 19.83 ? 143 A 1 -ATOM 2592 C CA . GLU A1 1 153 ? -23.067 34.181 -25.364 1.0 20.98 ? 143 A 1 -ATOM 2593 C C . GLU A1 1 153 ? -23.522 33.048 -24.467 1.0 18.41 ? 143 A 1 -ATOM 2594 O O . GLU A1 1 153 ? -24.141 33.308 -23.416 1.0 20.53 ? 143 A 1 -ATOM 2595 C CB . GLU A1 1 153 ? -24.164 34.529 -26.391 1.0 25.9 ? 143 A 1 -ATOM 2596 C CG . GLU A1 1 153 ? -25.612 34.427 -25.925 1.0 74.38 ? 143 A 1 -ATOM 2597 C CD . GLU A1 1 153 ? -26.642 34.793 -27.01 1.0 98.04 ? 143 A 1 -ATOM 2598 O OE1 . GLU A1 1 153 ? -26.723 34.095 -28.048 1.0 55.09 ? 143 A 1 -ATOM 2599 O OE2 . GLU A1 1 153 ? -27.382 35.782 -26.812 1.0 86.62 ? 143 A 1 -ATOM 2600 H H . GLU A1 1 153 ? -21.866 33.94 -26.91 1.0 23.79 ? 143 A 1 -ATOM 2601 H HA . GLU A1 1 153 ? -22.916 34.951 -24.793 1.0 25.18 ? 143 A 1 -ATOM 2602 H HB2 . GLU A1 1 153 ? -24.025 35.445 -26.679 1.0 31.08 ? 143 A 1 -ATOM 2603 H HB3 . GLU A1 1 153 ? -24.069 33.926 -27.146 1.0 31.08 ? 143 A 1 -ATOM 2604 H HG2 . GLU A1 1 153 ? -25.787 33.514 -25.647 1.0 89.26 ? 143 A 1 -ATOM 2605 H HG3 . GLU A1 1 153 ? -25.743 35.032 -25.178 1.0 89.26 ? 143 A 1 -ATOM 2606 N N . TYR A1 1 154 ? -23.333 31.807 -24.921 1.0 18.19 ? 144 A 1 -ATOM 2607 C CA . TYR A1 1 154 ? -23.728 30.663 -24.099 1.0 17.84 ? 144 A 1 -ATOM 2608 C C . TYR A1 1 154 ? -22.85 30.59 -22.869 1.0 17.2 ? 144 A 1 -ATOM 2609 O O . TYR A1 1 154 ? -23.36 30.434 -21.765 1.0 17.6 ? 144 A 1 -ATOM 2610 C CB . TYR A1 1 154 ? -23.636 29.348 -24.903 1.0 17.7 ? 144 A 1 -ATOM 2611 C CG . TYR A1 1 154 ? -24.696 29.168 -26.02 1.0 18.06 ? 144 A 1 -ATOM 2612 C CD1 . TYR A1 1 154 ? -25.426 30.225 -26.51 1.0 20.74 ? 144 A 1 -ATOM 2613 C CD2 . TYR A1 1 154 ? -24.843 27.932 -26.592 1.0 18.91 ? 144 A 1 -ATOM 2614 C CE1 . TYR A1 1 154 ? -26.334 30.021 -27.552 1.0 22.51 ? 144 A 1 -ATOM 2615 C CE2 . TYR A1 1 154 ? -25.736 27.708 -27.618 1.0 20.33 ? 144 A 1 -ATOM 2616 C CZ . TYR A1 1 154 ? -26.451 28.745 -28.069 1.0 22.15 ? 144 A 1 -ATOM 2617 O OH . TYR A1 1 154 ? -27.369 28.583 -29.111 1.0 25.92 ? 144 A 1 -ATOM 2618 H H . TYR A1 1 154 ? -22.988 31.605 -25.682 1.0 21.83 ? 144 A 1 -ATOM 2619 H HA . TYR A1 1 154 ? -24.654 30.771 -23.831 1.0 21.4 ? 144 A 1 -ATOM 2620 H HB2 . TYR A1 1 154 ? -22.764 29.31 -25.326 1.0 21.23 ? 144 A 1 -ATOM 2621 H HB3 . TYR A1 1 154 ? -23.739 28.606 -24.287 1.0 21.23 ? 144 A 1 -ATOM 2622 H HD1 . TYR A1 1 154 ? -25.315 31.075 -26.148 1.0 24.89 ? 144 A 1 -ATOM 2623 H HD2 . TYR A1 1 154 ? -24.326 27.225 -26.279 1.0 22.7 ? 144 A 1 -ATOM 2624 H HE1 . TYR A1 1 154 ? -26.844 30.722 -27.887 1.0 27.01 ? 144 A 1 -ATOM 2625 H HE2 . TYR A1 1 154 ? -25.839 26.86 -27.987 1.0 24.4 ? 144 A 1 -ATOM 2626 H HH . TYR A1 1 154 ? -27.352 27.79 -29.388 1.0 31.1 ? 144 A 1 -ATOM 2627 N N . TYR A1 1 155 ? -21.541 30.688 -23.044 1.0 16.5 ? 145 A 1 -ATOM 2628 C CA . TYR A1 1 155 ? -20.648 30.648 -21.89 1.0 16.82 ? 145 A 1 -ATOM 2629 C C . TYR A1 1 155 ? -20.982 31.763 -20.91 1.0 18.28 ? 145 A 1 -ATOM 2630 O O . TYR A1 1 155 ? -20.912 31.557 -19.69 1.0 17.87 ? 145 A 1 -ATOM 2631 C CB . TYR A1 1 155 ? -19.204 30.759 -22.364 1.0 17.41 ? 145 A 1 -ATOM 2632 C CG . TYR A1 1 155 ? -18.668 29.616 -23.204 1.0 15.84 ? 145 A 1 -ATOM 2633 C CD1 . TYR A1 1 155 ? -19.118 28.321 -23.072 1.0 16.39 ? 145 A 1 -ATOM 2634 C CD2 . TYR A1 1 155 ? -17.616 29.844 -24.098 1.0 16.88 ? 145 A 1 -ATOM 2635 C CE1 . TYR A1 1 155 ? -18.596 27.288 -23.819 1.0 15.35 ? 145 A 1 -ATOM 2636 C CE2 . TYR A1 1 155 ? -17.089 28.836 -24.813 1.0 18.93 ? 145 A 1 -ATOM 2637 C CZ . TYR A1 1 155 ? -17.549 27.56 -24.693 1.0 15.99 ? 145 A 1 -ATOM 2638 O OH . TYR A1 1 155 ? -16.933 26.56 -25.431 1.0 16.36 ? 145 A 1 -ATOM 2639 H H . TYR A1 1 155 ? -21.148 30.777 -23.804 1.0 19.8 ? 145 A 1 -ATOM 2640 H HA . TYR A1 1 155 ? -20.751 29.801 -21.427 1.0 20.18 ? 145 A 1 -ATOM 2641 H HB2 . TYR A1 1 155 ? -19.126 31.564 -22.899 1.0 20.89 ? 145 A 1 -ATOM 2642 H HB3 . TYR A1 1 155 ? -18.636 30.825 -21.58 1.0 20.89 ? 145 A 1 -ATOM 2643 H HD1 . TYR A1 1 155 ? -19.795 28.138 -22.46 1.0 19.67 ? 145 A 1 -ATOM 2644 H HD2 . TYR A1 1 155 ? -17.277 30.704 -24.198 1.0 20.25 ? 145 A 1 -ATOM 2645 H HE1 . TYR A1 1 155 ? -18.937 26.426 -23.74 1.0 18.42 ? 145 A 1 -ATOM 2646 H HE2 . TYR A1 1 155 ? -16.394 29.014 -25.405 1.0 22.71 ? 145 A 1 -ATOM 2647 H HH . TYR A1 1 155 ? -17.285 25.817 -25.258 1.0 19.64 ? 145 A 1 -ATOM 2648 N N . GLU A1 1 156 ? -21.352 32.94 -21.413 1.0 17.63 ? 146 A 1 -ATOM 2649 C CA A GLU A1 1 156 ? -21.739 34.067 -20.566 0.41 20.64 ? 146 A 1 -ATOM 2650 C CA B GLU A1 1 156 ? -21.714 34.048 -20.535 0.59 19.4 ? 146 A 1 -ATOM 2651 C C . GLU A1 1 156 ? -22.99 33.74 -19.765 1.0 18.42 ? 146 A 1 -ATOM 2652 O O . GLU A1 1 156 ? -23.055 33.97 -18.544 1.0 19.55 ? 146 A 1 -ATOM 2653 C CB A GLU A1 1 156 ? -22.021 35.292 -21.451 0.41 28.7 ? 146 A 1 -ATOM 2654 C CB B GLU A1 1 156 ? -21.871 35.31 -21.389 0.59 20.2 ? 146 A 1 -ATOM 2655 C CG A GLU A1 1 156 ? -20.799 36.081 -21.895 0.41 42.03 ? 146 A 1 -ATOM 2656 C CG B GLU A1 1 156 ? -22.072 36.603 -20.611 0.59 45.33 ? 146 A 1 -ATOM 2657 C CD A GLU A1 1 156 ? -21.13 37.291 -22.779 0.41 52.58 ? 146 A 1 -ATOM 2658 C CD B GLU A1 1 156 ? -21.837 37.86 -21.444 0.59 33.02 ? 146 A 1 -ATOM 2659 O OE1 A GLU A1 1 156 ? -22.151 37.28 -23.523 0.41 28.21 ? 146 A 1 -ATOM 2660 O OE1 B GLU A1 1 156 ? -22.096 37.838 -22.663 0.59 51.38 ? 146 A 1 -ATOM 2661 O OE2 A GLU A1 1 156 ? -20.344 38.258 -22.719 0.41 51.09 ? 146 A 1 -ATOM 2662 O OE2 B GLU A1 1 156 ? -21.411 38.873 -20.851 0.59 44.83 ? 146 A 1 -ATOM 2663 H H A GLU A1 1 156 ? -21.388 33.117 -22.254 0.41 21.16 ? 146 A 1 -ATOM 2664 H H B GLU A1 1 156 ? -21.401 33.122 -22.252 0.59 21.16 ? 146 A 1 -ATOM 2665 H HA A GLU A1 1 156 ? -21.012 34.264 -19.954 0.41 24.77 ? 146 A 1 -ATOM 2666 H HA B GLU A1 1 156 ? -21.015 34.202 -19.881 0.59 23.28 ? 146 A 1 -ATOM 2667 H HB2 A GLU A1 1 156 ? -22.474 34.989 -22.254 0.41 34.44 ? 146 A 1 -ATOM 2668 H HB2 B GLU A1 1 156 ? -21.07 35.417 -21.926 0.59 24.25 ? 146 A 1 -ATOM 2669 H HB3 A GLU A1 1 156 ? -22.592 35.9 -20.957 0.41 34.44 ? 146 A 1 -ATOM 2670 H HB3 B GLU A1 1 156 ? -22.643 35.195 -21.964 0.59 24.25 ? 146 A 1 -ATOM 2671 H HG2 A GLU A1 1 156 ? -20.336 36.408 -21.107 0.41 50.44 ? 146 A 1 -ATOM 2672 H HG2 B GLU A1 1 156 ? -22.984 36.632 -20.281 0.59 54.4 ? 146 A 1 -ATOM 2673 H HG3 A GLU A1 1 156 ? -20.216 35.495 -22.402 0.41 50.44 ? 146 A 1 -ATOM 2674 H HG3 B GLU A1 1 156 ? -21.449 36.621 -19.867 0.59 54.4 ? 146 A 1 -ATOM 2675 N N . LYS A1 1 157 ? -24.016 33.203 -20.43 1.0 19.21 ? 147 A 1 -ATOM 2676 C CA . LYS A1 1 157 ? -25.249 32.836 -19.746 1.0 19.18 ? 147 A 1 -ATOM 2677 C C . LYS A1 1 157 ? -24.989 31.792 -18.656 1.0 18.43 ? 147 A 1 -ATOM 2678 O O . LYS A1 1 157 ? -25.565 31.857 -17.549 1.0 19.11 ? 147 A 1 -ATOM 2679 C CB . LYS A1 1 157 ? -26.265 32.295 -20.757 1.0 18.36 ? 147 A 1 -ATOM 2680 C CG . LYS A1 1 157 ? -26.979 33.384 -21.538 1.0 21.85 ? 147 A 1 -ATOM 2681 C CD . LYS A1 1 157 ? -27.726 32.852 -22.742 1.0 24.12 ? 147 A 1 -ATOM 2682 C CE . LYS A1 1 157 ? -28.501 34.013 -23.459 1.0 38.79 ? 147 A 1 -ATOM 2683 N NZ . LYS A1 1 157 ? -29.134 33.541 -24.723 1.0 93.87 ? 147 A 1 -ATOM 2684 H H . LYS A1 1 157 ? -24.021 33.042 -21.274 1.0 23.05 ? 147 A 1 -ATOM 2685 H HA . LYS A1 1 157 ? -25.621 33.628 -19.328 1.0 23.01 ? 147 A 1 -ATOM 2686 H HB2 . LYS A1 1 157 ? -25.802 31.728 -21.393 1.0 22.03 ? 147 A 1 -ATOM 2687 H HB3 . LYS A1 1 157 ? -26.936 31.781 -20.282 1.0 22.03 ? 147 A 1 -ATOM 2688 H HG2 . LYS A1 1 157 ? -27.621 33.82 -20.957 1.0 26.22 ? 147 A 1 -ATOM 2689 H HG3 . LYS A1 1 157 ? -26.325 34.028 -21.853 1.0 26.22 ? 147 A 1 -ATOM 2690 H HD2 . LYS A1 1 157 ? -27.096 32.466 -23.371 1.0 28.95 ? 147 A 1 -ATOM 2691 H HD3 . LYS A1 1 157 ? -28.366 32.181 -22.459 1.0 28.95 ? 147 A 1 -ATOM 2692 H HE2 . LYS A1 1 157 ? -29.199 34.344 -22.872 1.0 46.55 ? 147 A 1 -ATOM 2693 H HE3 . LYS A1 1 157 ? -27.883 34.728 -23.675 1.0 46.55 ? 147 A 1 -ATOM 2694 H HZ1 . LYS A1 1 157 ? -29.559 34.214 -25.121 1.0 112.64 ? 147 A 1 -ATOM 2695 H HZ2 . LYS A1 1 157 ? -28.512 33.225 -25.275 1.0 112.64 ? 147 A 1 -ATOM 2696 H HZ3 . LYS A1 1 157 ? -29.719 32.894 -24.547 1.0 112.64 ? 147 A 1 -ATOM 2697 N N . TRP A1 1 158 ? -24.106 30.829 -18.918 1.0 16.35 ? 148 A 1 -ATOM 2698 C CA . TRP A1 1 158 ? -23.86 29.78 -17.935 1.0 16.27 ? 148 A 1 -ATOM 2699 C C . TRP A1 1 158 ? -23.059 30.315 -16.764 1.0 17.1 ? 148 A 1 -ATOM 2700 O O . TRP A1 1 158 ? -23.251 29.846 -15.64 1.0 17.52 ? 148 A 1 -ATOM 2701 C CB . TRP A1 1 158 ? -23.138 28.607 -18.607 1.0 16.34 ? 148 A 1 -ATOM 2702 C CG . TRP A1 1 158 ? -23.954 27.967 -19.697 1.0 16.21 ? 148 A 1 -ATOM 2703 C CD1 . TRP A1 1 158 ? -25.321 28.033 -19.821 1.0 16.52 ? 148 A 1 -ATOM 2704 C CD2 . TRP A1 1 158 ? -23.462 27.278 -20.828 1.0 15.66 ? 148 A 1 -ATOM 2705 N NE1 . TRP A1 1 158 ? -25.726 27.398 -20.971 1.0 16.87 ? 148 A 1 -ATOM 2706 C CE2 . TRP A1 1 158 ? -24.606 26.871 -21.585 1.0 16.11 ? 148 A 1 -ATOM 2707 C CE3 . TRP A1 1 158 ? -22.186 26.865 -21.237 1.0 15.1 ? 148 A 1 -ATOM 2708 C CZ2 . TRP A1 1 158 ? -24.479 26.168 -22.774 1.0 16.38 ? 148 A 1 -ATOM 2709 C CZ3 . TRP A1 1 158 ? -22.082 26.174 -22.453 1.0 15.17 ? 148 A 1 -ATOM 2710 C CH2 . TRP A1 1 158 ? -23.228 25.801 -23.185 1.0 15.86 ? 148 A 1 -ATOM 2711 H H . TRP A1 1 158 ? -23.647 30.763 -19.642 1.0 19.62 ? 148 A 1 -ATOM 2712 H HA . TRP A1 1 158 ? -24.702 29.445 -17.591 1.0 19.53 ? 148 A 1 -ATOM 2713 H HB2 . TRP A1 1 158 ? -22.311 28.929 -19.0 1.0 19.61 ? 148 A 1 -ATOM 2714 H HB3 . TRP A1 1 158 ? -22.946 27.93 -17.939 1.0 19.61 ? 148 A 1 -ATOM 2715 H HD1 . TRP A1 1 158 ? -25.89 28.448 -19.214 1.0 19.83 ? 148 A 1 -ATOM 2716 H HE1 . TRP A1 1 158 ? -26.534 27.338 -21.258 1.0 20.25 ? 148 A 1 -ATOM 2717 H HE3 . TRP A1 1 158 ? -21.435 27.043 -20.719 1.0 18.13 ? 148 A 1 -ATOM 2718 H HZ2 . TRP A1 1 158 ? -25.229 25.951 -23.28 1.0 19.66 ? 148 A 1 -ATOM 2719 H HZ3 . TRP A1 1 158 ? -21.24 25.957 -22.783 1.0 18.21 ? 148 A 1 -ATOM 2720 H HH2 . TRP A1 1 158 ? -23.131 25.297 -23.961 1.0 19.03 ? 148 A 1 -ATOM 2721 N N . LYS A1 1 159 ? -22.195 31.299 -16.985 1.0 16.3 ? 149 A 1 -ATOM 2722 C CA . LYS A1 1 159 ? -21.485 31.952 -15.899 1.0 16.91 ? 149 A 1 -ATOM 2723 C C . LYS A1 1 159 ? -22.465 32.732 -15.015 1.0 18.67 ? 149 A 1 -ATOM 2724 O O . LYS A1 1 159 ? -22.436 32.596 -13.783 1.0 18.85 ? 149 A 1 -ATOM 2725 C CB . LYS A1 1 159 ? -20.389 32.865 -16.442 1.0 18.2 ? 149 A 1 -ATOM 2726 C CG . LYS A1 1 159 ? -19.453 33.394 -15.346 1.0 19.07 ? 149 A 1 -ATOM 2727 C CD . LYS A1 1 159 ? -18.543 32.31 -14.833 1.0 20.13 ? 149 A 1 -ATOM 2728 C CE . LYS A1 1 159 ? -17.531 32.868 -13.79 1.0 23.07 ? 149 A 1 -ATOM 2729 N NZ . LYS A1 1 159 ? -18.147 33.507 -12.612 1.0 29.88 ? 149 A 1 -ATOM 2730 H H . LYS A1 1 159 ? -22.0 31.609 -17.763 1.0 19.56 ? 149 A 1 -ATOM 2731 H HA . LYS A1 1 159 ? -21.046 31.28 -15.356 1.0 20.29 ? 149 A 1 -ATOM 2732 H HB2 . LYS A1 1 159 ? -19.852 32.368 -17.08 1.0 21.84 ? 149 A 1 -ATOM 2733 H HB3 . LYS A1 1 159 ? -20.801 33.627 -16.877 1.0 21.84 ? 149 A 1 -ATOM 2734 H HG2 . LYS A1 1 159 ? -18.904 34.107 -15.708 1.0 22.89 ? 149 A 1 -ATOM 2735 H HG3 . LYS A1 1 159 ? -19.981 33.725 -14.603 1.0 22.89 ? 149 A 1 -ATOM 2736 H HD2 . LYS A1 1 159 ? -19.074 31.62 -14.405 1.0 24.16 ? 149 A 1 -ATOM 2737 H HD3 . LYS A1 1 159 ? -18.043 31.932 -15.573 1.0 24.16 ? 149 A 1 -ATOM 2738 H HE2 . LYS A1 1 159 ? -16.981 32.135 -13.47 1.0 27.69 ? 149 A 1 -ATOM 2739 H HE3 . LYS A1 1 159 ? -16.975 33.534 -14.225 1.0 27.69 ? 149 A 1 -ATOM 2740 H HZ1 . LYS A1 1 159 ? -17.514 33.794 -12.056 1.0 35.86 ? 149 A 1 -ATOM 2741 H HZ2 . LYS A1 1 159 ? -18.644 34.2 -12.866 1.0 35.86 ? 149 A 1 -ATOM 2742 H HZ3 . LYS A1 1 159 ? -18.664 32.922 -12.184 1.0 35.86 ? 149 A 1 -ATOM 2743 N N . GLU A1 1 160 ? -23.382 33.478 -15.617 1.0 19.44 ? 150 A 1 -ATOM 2744 C CA . GLU A1 1 160 ? -24.371 34.2 -14.849 1.0 19.87 ? 150 A 1 -ATOM 2745 C C . GLU A1 1 160 ? -25.287 33.248 -14.122 1.0 20.67 ? 150 A 1 -ATOM 2746 O O . GLU A1 1 160 ? -25.742 33.56 -13.021 1.0 22.53 ? 150 A 1 -ATOM 2747 C CB . GLU A1 1 160 ? -25.19 35.06 -15.793 1.0 25.21 ? 150 A 1 -ATOM 2748 C CG . GLU A1 1 160 ? -24.41 36.123 -16.52 1.0 66.89 ? 150 A 1 -ATOM 2749 C CD . GLU A1 1 160 ? -24.952 37.515 -16.275 0.0 23.15 ? 150 A 1 -ATOM 2750 O OE1 . GLU A1 1 160 ? -25.232 37.851 -15.103 0.85 81.32 ? 150 A 1 -ATOM 2751 O OE2 . GLU A1 1 160 ? -25.098 38.267 -17.261 0.51 60.67 ? 150 A 1 -ATOM 2752 H H . GLU A1 1 160 ? -23.449 33.58 -16.468 1.0 23.33 ? 150 A 1 -ATOM 2753 H HA . GLU A1 1 160 ? -23.93 34.767 -14.197 1.0 23.84 ? 150 A 1 -ATOM 2754 H HB2 . GLU A1 1 160 ? -25.593 34.485 -16.462 1.0 30.26 ? 150 A 1 -ATOM 2755 H HB3 . GLU A1 1 160 ? -25.882 35.507 -15.279 1.0 30.26 ? 150 A 1 -ATOM 2756 H HG2 . GLU A1 1 160 ? -23.489 36.102 -16.218 1.0 80.27 ? 150 A 1 -ATOM 2757 H HG3 . GLU A1 1 160 ? -24.451 35.948 -17.473 1.0 80.27 ? 150 A 1 -ATOM 2758 N N . ALA A1 1 161 ? -25.53 32.057 -14.674 1.0 20.33 ? 151 A 1 -ATOM 2759 C CA . ALA A1 1 161 ? -26.33 31.036 -13.984 1.0 18.6 ? 151 A 1 -ATOM 2760 C C . ALA A1 1 161 ? -25.615 30.484 -12.774 1.0 20.53 ? 151 A 1 -ATOM 2761 O O . ALA A1 1 161 ? -26.228 29.767 -11.964 1.0 20.3 ? 151 A 1 -ATOM 2762 C CB . ALA A1 1 161 ? -26.664 29.878 -14.935 1.0 20.2 ? 151 A 1 -ATOM 2763 H H . ALA A1 1 161 ? -25.245 31.812 -15.448 1.0 24.39 ? 151 A 1 -ATOM 2764 H HA . ALA A1 1 161 ? -27.163 31.445 -13.701 1.0 22.32 ? 151 A 1 -ATOM 2765 H HB1 . ALA A1 1 161 ? -27.187 29.217 -14.455 1.0 24.24 ? 151 A 1 -ATOM 2766 H HB2 . ALA A1 1 161 ? -27.174 30.222 -15.685 1.0 24.24 ? 151 A 1 -ATOM 2767 H HB3 . ALA A1 1 161 ? -25.838 29.481 -15.252 1.0 24.24 ? 151 A 1 -ATOM 2768 N N . GLY A1 1 162 ? -24.303 30.682 -12.7 1.0 18.11 ? 152 A 1 -ATOM 2769 C CA . GLY A1 1 162 ? -23.556 30.271 -11.514 1.0 18.74 ? 152 A 1 -ATOM 2770 C C . GLY A1 1 162 ? -22.476 29.23 -11.756 1.0 18.37 ? 152 A 1 -ATOM 2771 O O . GLY A1 1 162 ? -21.821 28.8 -10.794 1.0 18.52 ? 152 A 1 -ATOM 2772 H H . GLY A1 1 162 ? -23.828 31.049 -13.316 1.0 21.73 ? 152 A 1 -ATOM 2773 H HA2 . GLY A1 1 162 ? -23.13 31.053 -11.131 1.0 22.49 ? 152 A 1 -ATOM 2774 H HA3 . GLY A1 1 162 ? -24.18 29.902 -10.869 1.0 22.49 ? 152 A 1 -ATOM 2775 N N . ALA A1 1 163 ? -22.196 28.798 -12.978 1.0 16.5 ? 153 A 1 -ATOM 2776 C CA . ALA A1 1 163 ? -21.151 27.834 -13.194 1.0 15.67 ? 153 A 1 -ATOM 2777 C C . ALA A1 1 163 ? -19.81 28.401 -12.734 1.0 16.22 ? 153 A 1 -ATOM 2778 O O . ALA A1 1 163 ? -19.501 29.563 -12.946 1.0 18.06 ? 153 A 1 -ATOM 2779 C CB . ALA A1 1 163 ? -21.065 27.453 -14.691 1.0 17.49 ? 153 A 1 -ATOM 2780 H H . ALA A1 1 163 ? -22.601 29.052 -13.693 1.0 19.8 ? 153 A 1 -ATOM 2781 H HA . ALA A1 1 163 ? -21.348 27.031 -12.686 1.0 18.8 ? 153 A 1 -ATOM 2782 H HB1 . ALA A1 1 163 ? -20.353 26.805 -14.812 1.0 20.99 ? 153 A 1 -ATOM 2783 H HB2 . ALA A1 1 163 ? -21.912 27.07 -14.969 1.0 20.99 ? 153 A 1 -ATOM 2784 H HB3 . ALA A1 1 163 ? -20.877 28.251 -15.21 1.0 20.99 ? 153 A 1 -ATOM 2785 N N . ASP A1 1 164 ? -19.012 27.543 -12.111 1.0 14.26 ? 154 A 1 -ATOM 2786 C CA . ASP A1 1 164 ? -17.727 27.929 -11.563 1.0 15.25 ? 154 A 1 -ATOM 2787 C C . ASP A1 1 164 ? -16.536 27.631 -12.466 1.0 15.19 ? 154 A 1 -ATOM 2788 O O . ASP A1 1 164 ? -15.568 28.394 -12.495 1.0 16.34 ? 154 A 1 -ATOM 2789 C CB . ASP A1 1 164 ? -17.485 27.217 -10.205 1.0 15.06 ? 154 A 1 -ATOM 2790 C CG . ASP A1 1 164 ? -18.524 27.546 -9.18 1.0 16.18 ? 154 A 1 -ATOM 2791 O OD1 . ASP A1 1 164 ? -18.406 28.658 -8.613 1.0 19.4 ? 154 A 1 -ATOM 2792 O OD2 . ASP A1 1 164 ? -19.463 26.757 -9.039 1.0 15.6 ? 154 A 1 -ATOM 2793 H H . ASP A1 1 164 ? -19.201 26.712 -11.993 1.0 17.11 ? 154 A 1 -ATOM 2794 H HA . ASP A1 1 164 ? -17.757 28.889 -11.423 1.0 18.3 ? 154 A 1 -ATOM 2795 H HB2 . ASP A1 1 164 ? -17.497 26.257 -10.345 1.0 18.07 ? 154 A 1 -ATOM 2796 H HB3 . ASP A1 1 164 ? -16.623 27.49 -9.855 1.0 18.07 ? 154 A 1 -ATOM 2797 N N . ARG A1 1 165 ? -16.572 26.499 -13.154 1.0 14.8 ? 155 A 1 -ATOM 2798 C CA . ARG A1 1 165 ? -15.444 25.98 -13.905 1.0 13.33 ? 155 A 1 -ATOM 2799 C C . ARG A1 1 165 ? -15.91 25.436 -15.237 1.0 13.77 ? 155 A 1 -ATOM 2800 O O . ARG A1 1 165 ? -17.068 25.094 -15.407 1.0 13.47 ? 155 A 1 -ATOM 2801 C CB . ARG A1 1 165 ? -14.681 24.904 -13.127 1.0 14.2 ? 155 A 1 -ATOM 2802 C CG . ARG A1 1 165 ? -14.612 25.105 -11.618 1.0 14.41 ? 155 A 1 -ATOM 2803 C CD . ARG A1 1 165 ? -13.564 24.192 -10.987 1.0 15.04 ? 155 A 1 -ATOM 2804 N NE . ARG A1 1 165 ? -13.521 24.432 -9.54 1.0 16.4 ? 155 A 1 -ATOM 2805 C CZ . ARG A1 1 165 ? -13.987 23.617 -8.612 1.0 15.77 ? 155 A 1 -ATOM 2806 N NH1 . ARG A1 1 165 ? -14.338 22.376 -8.855 1.0 15.47 ? 155 A 1 -ATOM 2807 N NH2 . ARG A1 1 165 ? -14.089 24.072 -7.386 1.0 16.42 ? 155 A 1 -ATOM 2808 H H . ARG A1 1 165 ? -17.267 25.995 -13.202 1.0 17.75 ? 155 A 1 -ATOM 2809 H HA . ARG A1 1 165 ? -14.834 26.712 -14.086 1.0 16.0 ? 155 A 1 -ATOM 2810 H HB2 . ARG A1 1 165 ? -15.114 24.05 -13.284 1.0 17.04 ? 155 A 1 -ATOM 2811 H HB3 . ARG A1 1 165 ? -13.769 24.879 -13.457 1.0 17.04 ? 155 A 1 -ATOM 2812 H HG2 . ARG A1 1 165 ? -14.371 26.025 -11.426 1.0 17.29 ? 155 A 1 -ATOM 2813 H HG3 . ARG A1 1 165 ? -15.475 24.899 -11.225 1.0 17.29 ? 155 A 1 -ATOM 2814 H HD2 . ARG A1 1 165 ? -13.798 23.264 -11.144 1.0 18.05 ? 155 A 1 -ATOM 2815 H HD3 . ARG A1 1 165 ? -12.691 24.382 -11.363 1.0 18.05 ? 155 A 1 -ATOM 2816 H HE . ARG A1 1 165 ? -13.16 25.166 -9.274 1.0 19.68 ? 155 A 1 -ATOM 2817 H HH11 . ARG A1 1 165 ? -14.269 22.058 -9.651 1.0 18.56 ? 155 A 1 -ATOM 2818 H HH12 . ARG A1 1 165 ? -14.637 21.881 -8.219 1.0 18.56 ? 155 A 1 -ATOM 2819 H HH21 . ARG A1 1 165 ? -13.855 24.88 -7.206 1.0 19.7 ? 155 A 1 -ATOM 2820 H HH22 . ARG A1 1 165 ? -14.39 23.563 -6.761 1.0 19.7 ? 155 A 1 -ATOM 2821 N N . TYR A1 1 166 ? -14.955 25.348 -16.178 1.0 13.41 ? 156 A 1 -ATOM 2822 C CA . TYR A1 1 166 ? -15.267 24.763 -17.48 1.0 12.42 ? 156 A 1 -ATOM 2823 C C . TYR A1 1 166 ? -14.078 23.924 -17.901 1.0 13.99 ? 156 A 1 -ATOM 2824 O O . TYR A1 1 166 ? -12.963 24.433 -17.95 1.0 14.26 ? 156 A 1 -ATOM 2825 C CB . TYR A1 1 166 ? -15.578 25.838 -18.501 1.0 12.86 ? 156 A 1 -ATOM 2826 C CG . TYR A1 1 166 ? -16.41 25.339 -19.688 1.0 13.25 ? 156 A 1 -ATOM 2827 C CD1 . TYR A1 1 166 ? -15.872 24.49 -20.65 1.0 12.84 ? 156 A 1 -ATOM 2828 C CD2 . TYR A1 1 166 ? -17.739 25.655 -19.811 1.0 13.69 ? 156 A 1 -ATOM 2829 C CE1 . TYR A1 1 166 ? -16.622 24.019 -21.719 1.0 13.24 ? 156 A 1 -ATOM 2830 C CE2 . TYR A1 1 166 ? -18.513 25.173 -20.855 1.0 13.09 ? 156 A 1 -ATOM 2831 C CZ . TYR A1 1 166 ? -17.937 24.373 -21.797 1.0 13.34 ? 156 A 1 -ATOM 2832 O OH . TYR A1 1 166 ? -18.765 23.904 -22.806 1.0 14.09 ? 156 A 1 -ATOM 2833 H H . TYR A1 1 166 ? -14.143 25.615 -16.082 1.0 16.09 ? 156 A 1 -ATOM 2834 H HA . TYR A1 1 166 ? -16.046 24.187 -17.425 1.0 14.9 ? 156 A 1 -ATOM 2835 H HB2 . TYR A1 1 166 ? -16.077 26.547 -18.066 1.0 15.44 ? 156 A 1 -ATOM 2836 H HB3 . TYR A1 1 166 ? -14.743 26.187 -18.851 1.0 15.44 ? 156 A 1 -ATOM 2837 H HD1 . TYR A1 1 166 ? -14.982 24.23 -20.575 1.0 15.41 ? 156 A 1 -ATOM 2838 H HD2 . TYR A1 1 166 ? -18.132 26.208 -19.175 1.0 16.43 ? 156 A 1 -ATOM 2839 H HE1 . TYR A1 1 166 ? -16.236 23.476 -22.368 1.0 15.89 ? 156 A 1 -ATOM 2840 H HE2 . TYR A1 1 166 ? -19.415 25.394 -20.913 1.0 15.7 ? 156 A 1 -ATOM 2841 H HH . TYR A1 1 166 ? -18.322 23.441 -23.349 1.0 16.91 ? 156 A 1 -ATOM 2842 N N . LEU A1 1 167 ? -14.326 22.668 -18.224 1.0 11.99 ? 157 A 1 -ATOM 2843 C CA . LEU A1 1 167 ? -13.301 21.737 -18.683 1.0 12.83 ? 157 A 1 -ATOM 2844 C C . LEU A1 1 167 ? -13.458 21.56 -20.191 1.0 13.34 ? 157 A 1 -ATOM 2845 O O . LEU A1 1 167 ? -14.47 21.005 -20.642 1.0 13.63 ? 157 A 1 -ATOM 2846 C CB . LEU A1 1 167 ? -13.426 20.4 -17.98 1.0 14.17 ? 157 A 1 -ATOM 2847 C CG . LEU A1 1 167 ? -12.46 19.343 -18.478 1.0 14.28 ? 157 A 1 -ATOM 2848 C CD1 . LEU A1 1 167 ? -11.04 19.664 -18.163 1.0 16.61 ? 157 A 1 -ATOM 2849 C CD2 . LEU A1 1 167 ? -12.86 18.061 -17.846 1.0 19.46 ? 157 A 1 -ATOM 2850 H H . LEU A1 1 167 ? -15.108 22.314 -18.186 1.0 14.39 ? 157 A 1 -ATOM 2851 H HA . LEU A1 1 167 ? -12.425 22.107 -18.493 1.0 15.4 ? 157 A 1 -ATOM 2852 H HB2 . LEU A1 1 167 ? -13.258 20.531 -17.034 1.0 17.01 ? 157 A 1 -ATOM 2853 H HB3 . LEU A1 1 167 ? -14.326 20.064 -18.114 1.0 17.01 ? 157 A 1 -ATOM 2854 H HG . LEU A1 1 167 ? -12.5 19.288 -19.446 1.0 17.14 ? 157 A 1 -ATOM 2855 H HD11 . LEU A1 1 167 ? -10.482 18.914 -18.423 1.0 19.94 ? 157 A 1 -ATOM 2856 H HD12 . LEU A1 1 167 ? -10.779 20.458 -18.655 1.0 19.94 ? 157 A 1 -ATOM 2857 H HD13 . LEU A1 1 167 ? -10.957 19.823 -17.209 1.0 19.94 ? 157 A 1 -ATOM 2858 H HD21 . LEU A1 1 167 ? -12.798 17.351 -18.504 1.0 23.36 ? 157 A 1 -ATOM 2859 H HD22 . LEU A1 1 167 ? -12.264 17.876 -17.103 1.0 23.36 ? 157 A 1 -ATOM 2860 H HD23 . LEU A1 1 167 ? -13.772 18.137 -17.526 1.0 23.36 ? 157 A 1 -ATOM 2861 N N . LEU A1 1 168 ? -12.489 22.052 -20.937 1.0 12.45 ? 158 A 1 -ATOM 2862 C CA . LEU A1 1 168 ? -12.464 21.971 -22.415 1.0 12.01 ? 158 A 1 -ATOM 2863 C C . LEU A1 1 168 ? -11.056 21.501 -22.773 1.0 12.52 ? 158 A 1 -ATOM 2864 O O . LEU A1 1 168 ? -10.172 22.297 -23.081 1.0 12.77 ? 158 A 1 -ATOM 2865 C CB . LEU A1 1 168 ? -12.812 23.313 -23.004 1.0 13.9 ? 158 A 1 -ATOM 2866 C CG . LEU A1 1 168 ? -13.013 23.292 -24.541 1.0 13.57 ? 158 A 1 -ATOM 2867 C CD1 . LEU A1 1 168 ? -14.305 22.688 -24.886 1.0 16.21 ? 158 A 1 -ATOM 2868 C CD2 . LEU A1 1 168 ? -12.974 24.712 -25.095 1.0 18.41 ? 158 A 1 -ATOM 2869 H H . LEU A1 1 168 ? -11.802 22.456 -20.612 1.0 14.94 ? 158 A 1 -ATOM 2870 H HA . LEU A1 1 168 ? -13.103 21.325 -22.756 1.0 14.42 ? 158 A 1 -ATOM 2871 H HB2 . LEU A1 1 168 ? -13.637 23.624 -22.601 1.0 16.68 ? 158 A 1 -ATOM 2872 H HB3 . LEU A1 1 168 ? -12.092 23.934 -22.808 1.0 16.68 ? 158 A 1 -ATOM 2873 H HG . LEU A1 1 168 ? -12.3 22.767 -24.938 1.0 16.29 ? 158 A 1 -ATOM 2874 H HD11 . LEU A1 1 168 ? -14.431 22.737 -25.847 1.0 19.45 ? 158 A 1 -ATOM 2875 H HD12 . LEU A1 1 168 ? -14.307 21.761 -24.599 1.0 19.45 ? 158 A 1 -ATOM 2876 H HD13 . LEU A1 1 168 ? -15.012 23.175 -24.435 1.0 19.45 ? 158 A 1 -ATOM 2877 H HD21 . LEU A1 1 168 ? -13.09 24.679 -26.057 1.0 22.09 ? 158 A 1 -ATOM 2878 H HD22 . LEU A1 1 168 ? -13.691 25.227 -24.693 1.0 22.09 ? 158 A 1 -ATOM 2879 H HD23 . LEU A1 1 168 ? -12.118 25.112 -24.878 1.0 22.09 ? 158 A 1 -ATOM 2880 N N . ARG A1 1 169 ? -10.852 20.185 -22.674 1.0 13.09 ? 159 A 1 -ATOM 2881 C CA . ARG A1 1 169 ? -9.519 19.619 -22.93 1.0 12.94 ? 159 A 1 -ATOM 2882 C C . ARG A1 1 169 ? -9.072 20.043 -24.331 1.0 13.57 ? 159 A 1 -ATOM 2883 O O . ARG A1 1 169 ? -9.855 19.99 -25.278 1.0 14.37 ? 159 A 1 -ATOM 2884 C CB . ARG A1 1 169 ? -9.57 18.102 -22.758 1.0 13.63 ? 159 A 1 -ATOM 2885 C CG . ARG A1 1 169 ? -9.823 17.728 -21.292 1.0 13.48 ? 159 A 1 -ATOM 2886 C CD . ARG A1 1 169 ? -10.055 16.256 -21.059 1.0 15.89 ? 159 A 1 -ATOM 2887 N NE . ARG A1 1 169 ? -8.803 15.522 -21.301 1.0 14.63 ? 159 A 1 -ATOM 2888 C CZ . ARG A1 1 169 ? -8.677 14.201 -21.368 1.0 15.24 ? 159 A 1 -ATOM 2889 N NH1 . ARG A1 1 169 ? -7.541 13.625 -21.688 1.0 16.68 ? 159 A 1 -ATOM 2890 N NH2 . ARG A1 1 169 ? -9.723 13.474 -21.105 1.0 16.5 ? 159 A 1 -ATOM 2891 H H . ARG A1 1 169 ? -11.454 19.607 -22.465 1.0 15.7 ? 159 A 1 -ATOM 2892 H HA . ARG A1 1 169 ? -8.858 19.944 -22.299 1.0 15.53 ? 159 A 1 -ATOM 2893 H HB2 . ARG A1 1 169 ? -10.29 17.74 -23.298 1.0 16.36 ? 159 A 1 -ATOM 2894 H HB3 . ARG A1 1 169 ? -8.723 17.717 -23.033 1.0 16.36 ? 159 A 1 -ATOM 2895 H HG2 . ARG A1 1 169 ? -9.051 17.99 -20.766 1.0 16.18 ? 159 A 1 -ATOM 2896 H HG3 . ARG A1 1 169 ? -10.611 18.201 -20.982 1.0 16.18 ? 159 A 1 -ATOM 2897 H HD2 . ARG A1 1 169 ? -10.335 16.107 -20.142 1.0 19.06 ? 159 A 1 -ATOM 2898 H HD3 . ARG A1 1 169 ? -10.734 15.928 -21.67 1.0 19.06 ? 159 A 1 -ATOM 2899 H HE . ARG A1 1 169 ? -8.089 15.989 -21.408 1.0 17.56 ? 159 A 1 -ATOM 2900 H HH11 . ARG A1 1 169 ? -6.849 14.106 -21.861 1.0 20.02 ? 159 A 1 -ATOM 2901 H HH12 . ARG A1 1 169 ? -7.488 12.768 -21.723 1.0 20.02 ? 159 A 1 -ATOM 2902 H HH21 . ARG A1 1 169 ? -10.466 13.852 -20.896 1.0 19.8 ? 159 A 1 -ATOM 2903 H HH22 . ARG A1 1 169 ? -9.67 12.617 -21.141 1.0 19.8 ? 159 A 1 -ATOM 2904 N N . HIS A1 1 170 ? -7.824 20.536 -24.447 1.0 13.58 ? 160 A 1 -ATOM 2905 C CA . HIS A1 1 170 ? -7.404 21.02 -25.761 1.0 13.51 ? 160 A 1 -ATOM 2906 C C . HIS A1 1 170 ? -7.076 19.92 -26.766 1.0 13.54 ? 160 A 1 -ATOM 2907 O O . HIS A1 1 170 ? -6.96 20.206 -27.973 1.0 14.17 ? 160 A 1 -ATOM 2908 C CB . HIS A1 1 170 ? -6.276 22.035 -25.631 1.0 14.22 ? 160 A 1 -ATOM 2909 C CG . HIS A1 1 170 ? -4.955 21.449 -25.304 1.0 14.53 ? 160 A 1 -ATOM 2910 N ND1 . HIS A1 1 170 ? -4.508 21.144 -24.016 1.0 15.2 ? 160 A 1 -ATOM 2911 C CD2 . HIS A1 1 170 ? -3.946 21.094 -26.139 1.0 16.05 ? 160 A 1 -ATOM 2912 C CE1 . HIS A1 1 170 ? -3.303 20.632 -24.114 1.0 14.74 ? 160 A 1 -ATOM 2913 N NE2 . HIS A1 1 170 ? -2.927 20.613 -25.392 1.0 15.69 ? 160 A 1 -ATOM 2914 H H . HIS A1 1 170 ? -7.244 20.594 -23.816 1.0 16.29 ? 160 A 1 -ATOM 2915 H HA . HIS A1 1 170 ? -8.151 21.5 -26.153 1.0 16.22 ? 160 A 1 -ATOM 2916 H HB2 . HIS A1 1 170 ? -6.186 22.508 -26.473 1.0 17.07 ? 160 A 1 -ATOM 2917 H HB3 . HIS A1 1 170 ? -6.502 22.659 -24.923 1.0 17.07 ? 160 A 1 -ATOM 2918 H HD2 . HIS A1 1 170 ? -3.954 21.168 -27.066 1.0 19.26 ? 160 A 1 -ATOM 2919 H HE1 . HIS A1 1 170 ? -2.79 20.328 -23.4 1.0 17.69 ? 160 A 1 -ATOM 2920 H HE2 . HIS A1 1 170 ? -2.168 20.343 -25.69 1.0 18.83 ? 160 A 1 -ATOM 2921 N N . GLU A1 1 171 ? -6.902 18.693 -26.301 1.0 13.91 ? 161 A 1 -ATOM 2922 C CA . GLU A1 1 171 ? -6.73 17.463 -27.078 1.0 14.36 ? 161 A 1 -ATOM 2923 C C . GLU A1 1 171 ? -5.338 17.311 -27.657 1.0 13.81 ? 161 A 1 -ATOM 2924 O O . GLU A1 1 171 ? -4.609 16.377 -27.36 1.0 14.04 ? 161 A 1 -ATOM 2925 C CB . GLU A1 1 171 ? -7.824 17.327 -28.146 1.0 15.16 ? 161 A 1 -ATOM 2926 C CG . GLU A1 1 171 ? -9.246 17.641 -27.712 1.0 14.74 ? 161 A 1 -ATOM 2927 C CD . GLU A1 1 171 ? -9.766 16.888 -26.529 1.0 16.22 ? 161 A 1 -ATOM 2928 O OE1 . GLU A1 1 171 ? -9.065 16.106 -25.895 1.0 16.7 ? 161 A 1 -ATOM 2929 O OE2 . GLU A1 1 171 ? -10.97 17.087 -26.274 1.0 16.96 ? 161 A 1 -ATOM 2930 H H . GLU A1 1 171 ? -6.876 18.523 -25.459 1.0 16.69 ? 161 A 1 -ATOM 2931 H HA . GLU A1 1 171 ? -6.832 16.715 -26.469 1.0 17.24 ? 161 A 1 -ATOM 2932 H HB2 . GLU A1 1 171 ? -7.61 17.932 -28.874 1.0 18.2 ? 161 A 1 -ATOM 2933 H HB3 . GLU A1 1 171 ? -7.821 16.411 -28.464 1.0 18.2 ? 161 A 1 -ATOM 2934 H HG2 . GLU A1 1 171 ? -9.292 18.584 -27.491 1.0 17.69 ? 161 A 1 -ATOM 2935 H HG3 . GLU A1 1 171 ? -9.838 17.446 -28.456 1.0 17.69 ? 161 A 1 -ATOM 2936 N N . THR A1 1 172 ? -4.974 18.248 -28.521 1.0 14.83 ? 162 A 1 -ATOM 2937 C CA . THR A1 1 172 ? -3.628 18.361 -29.103 1.0 15.52 ? 162 A 1 -ATOM 2938 C C . THR A1 1 172 ? -3.39 19.817 -29.486 1.0 14.14 ? 162 A 1 -ATOM 2939 O O . THR A1 1 172 ? -4.259 20.443 -30.098 1.0 15.14 ? 162 A 1 -ATOM 2940 C CB . THR A1 1 172 ? -3.434 17.421 -30.309 1.0 15.04 ? 162 A 1 -ATOM 2941 O OG1 . THR A1 1 172 ? -2.164 17.689 -30.907 1.0 16.04 ? 162 A 1 -ATOM 2942 C CG2 . THR A1 1 172 ? -4.484 17.581 -31.401 1.0 16.66 ? 162 A 1 -ATOM 2943 H H . THR A1 1 172 ? -5.506 18.862 -28.804 1.0 17.79 ? 162 A 1 -ATOM 2944 H HA . THR A1 1 172 ? -2.962 18.11 -28.445 1.0 18.63 ? 162 A 1 -ATOM 2945 H HB . THR A1 1 172 ? -3.505 16.514 -29.971 1.0 18.05 ? 162 A 1 -ATOM 2946 H HG1 . THR A1 1 172 ? -1.55 17.553 -30.351 1.0 19.25 ? 162 A 1 -ATOM 2947 H HG21 . THR A1 1 172 ? -4.308 16.961 -32.125 1.0 19.99 ? 162 A 1 -ATOM 2948 H HG22 . THR A1 1 172 ? -5.367 17.402 -31.04 1.0 19.99 ? 162 A 1 -ATOM 2949 H HG23 . THR A1 1 172 ? -4.465 18.486 -31.75 1.0 19.99 ? 162 A 1 -ATOM 2950 N N . ALA A1 1 173 ? -2.216 20.32 -29.16 1.0 14.73 ? 163 A 1 -ATOM 2951 C CA . ALA A1 1 173 ? -1.826 21.656 -29.551 1.0 15.07 ? 163 A 1 -ATOM 2952 C C . ALA A1 1 173 ? -1.236 21.7 -30.946 1.0 18.64 ? 163 A 1 -ATOM 2953 O O . ALA A1 1 173 ? -0.85 22.786 -31.406 1.0 20.15 ? 163 A 1 -ATOM 2954 C CB . ALA A1 1 173 ? -0.843 22.211 -28.521 1.0 17.8 ? 163 A 1 -ATOM 2955 H H . ALA A1 1 173 ? -1.619 19.9 -28.705 1.0 17.67 ? 163 A 1 -ATOM 2956 H HA . ALA A1 1 173 ? -2.601 22.24 -29.556 1.0 18.09 ? 163 A 1 -ATOM 2957 H HB1 . ALA A1 1 173 ? -0.574 23.104 -28.79 1.0 21.36 ? 163 A 1 -ATOM 2958 H HB2 . ALA A1 1 173 ? -1.278 22.244 -27.654 1.0 21.36 ? 163 A 1 -ATOM 2959 H HB3 . ALA A1 1 173 ? -0.067 21.63 -28.48 1.0 21.36 ? 163 A 1 -ATOM 2960 N N . ASN A1 1 174 ? -1.115 20.596 -31.659 1.0 16.02 ? 164 A 1 -ATOM 2961 C CA . ASN A1 1 174 ? -0.619 20.624 -33.039 1.0 15.99 ? 164 A 1 -ATOM 2962 C C . ASN A1 1 174 ? -1.806 20.975 -33.933 1.0 15.66 ? 164 A 1 -ATOM 2963 O O . ASN A1 1 174 ? -2.766 20.205 -34.016 1.0 15.69 ? 164 A 1 -ATOM 2964 C CB . ASN A1 1 174 ? -0.11 19.208 -33.355 1.0 16.61 ? 164 A 1 -ATOM 2965 C CG . ASN A1 1 174 ? 0.37 19.065 -34.777 1.0 16.91 ? 164 A 1 -ATOM 2966 O OD1 . ASN A1 1 174 ? -0.224 19.61 -35.727 1.0 17.5 ? 164 A 1 -ATOM 2967 N ND2 . ASN A1 1 174 ? 1.457 18.382 -34.951 1.0 20.74 ? 164 A 1 -ATOM 2968 H H . ASN A1 1 174 ? -1.313 19.81 -31.373 1.0 19.22 ? 164 A 1 -ATOM 2969 H HA . ASN A1 1 174 ? 0.09 21.269 -33.185 1.0 19.18 ? 164 A 1 -ATOM 2970 H HB2 . ASN A1 1 174 ? 0.632 19.0 -32.766 1.0 19.93 ? 164 A 1 -ATOM 2971 H HB3 . ASN A1 1 174 ? -0.831 18.574 -33.217 1.0 19.93 ? 164 A 1 -ATOM 2972 H HD21 . ASN A1 1 174 ? 1.773 18.271 -35.742 1.0 24.89 ? 164 A 1 -ATOM 2973 H HD22 . ASN A1 1 174 ? 1.862 18.04 -34.274 1.0 24.89 ? 164 A 1 -ATOM 2974 N N . PRO A1 1 175 ? -1.822 22.15 -34.587 1.0 16.01 ? 165 A 1 -ATOM 2975 C CA . PRO A1 1 175 ? -3.031 22.543 -35.294 1.0 16.67 ? 165 A 1 -ATOM 2976 C C . PRO A1 1 175 ? -3.313 21.701 -36.524 1.0 15.88 ? 165 A 1 -ATOM 2977 O O . PRO A1 1 175 ? -4.493 21.571 -36.88 1.0 16.76 ? 165 A 1 -ATOM 2978 C CB . PRO A1 1 175 ? -2.752 24.006 -35.68 1.0 18.89 ? 165 A 1 -ATOM 2979 C CG . PRO A1 1 175 ? -1.281 24.162 -35.632 1.0 25.21 ? 165 A 1 -ATOM 2980 C CD . PRO A1 1 175 ? -0.78 23.171 -34.612 1.0 17.94 ? 165 A 1 -ATOM 2981 H HA . PRO A1 1 175 ? -3.79 22.501 -34.693 1.0 20.01 ? 165 A 1 -ATOM 2982 H HB2 . PRO A1 1 175 ? -3.088 24.178 -36.574 1.0 22.66 ? 165 A 1 -ATOM 2983 H HB3 . PRO A1 1 175 ? -3.182 24.599 -35.044 1.0 22.66 ? 165 A 1 -ATOM 2984 H HG2 . PRO A1 1 175 ? -0.906 23.971 -36.506 1.0 30.25 ? 165 A 1 -ATOM 2985 H HG3 . PRO A1 1 175 ? -1.059 25.068 -35.366 1.0 30.25 ? 165 A 1 -ATOM 2986 H HD2 . PRO A1 1 175 ? 0.068 22.791 -34.889 1.0 21.52 ? 165 A 1 -ATOM 2987 H HD3 . PRO A1 1 175 ? -0.687 23.59 -33.742 1.0 21.52 ? 165 A 1 -ATOM 2988 N N . VAL A1 1 176 ? -2.284 21.131 -37.143 1.0 16.36 ? 166 A 1 -ATOM 2989 C CA . VAL A1 1 176 ? -2.493 20.266 -38.29 1.0 16.56 ? 166 A 1 -ATOM 2990 C C . VAL A1 1 176 ? -3.184 18.988 -37.83 1.0 16.62 ? 166 A 1 -ATOM 2991 O O . VAL A1 1 176 ? -4.201 18.562 -38.395 1.0 17.35 ? 166 A 1 -ATOM 2992 C CB . VAL A1 1 176 ? -1.149 20.038 -39.011 1.0 17.3 ? 166 A 1 -ATOM 2993 C CG1 . VAL A1 1 176 ? -1.276 18.967 -40.08 1.0 18.43 ? 166 A 1 -ATOM 2994 C CG2 . VAL A1 1 176 ? -0.65 21.321 -39.607 1.0 17.97 ? 166 A 1 -ATOM 2995 H H . VAL A1 1 176 ? -1.46 21.23 -36.917 1.0 19.63 ? 166 A 1 -ATOM 2996 H HA . VAL A1 1 176 ? -3.082 20.681 -38.94 1.0 19.87 ? 166 A 1 -ATOM 2997 H HB . VAL A1 1 176 ? -0.5 19.729 -38.359 1.0 20.76 ? 166 A 1 -ATOM 2998 H HG11 . VAL A1 1 176 ? -0.463 18.952 -40.61 1.0 22.12 ? 166 A 1 -ATOM 2999 H HG12 . VAL A1 1 176 ? -1.408 18.107 -39.652 1.0 22.12 ? 166 A 1 -ATOM 3000 H HG13 . VAL A1 1 176 ? -2.035 19.176 -40.647 1.0 22.12 ? 166 A 1 -ATOM 3001 H HG21 . VAL A1 1 176 ? 0.198 21.155 -40.048 1.0 21.56 ? 166 A 1 -ATOM 3002 H HG22 . VAL A1 1 176 ? -1.3 21.644 -40.25 1.0 21.56 ? 166 A 1 -ATOM 3003 H HG23 . VAL A1 1 176 ? -0.532 21.973 -38.899 1.0 21.56 ? 166 A 1 -ATOM 3004 N N . LEU A1 1 177 ? -2.618 18.331 -36.829 1.0 16.21 ? 167 A 1 -ATOM 3005 C CA . LEU A1 1 177 ? -3.235 17.12 -36.291 1.0 16.88 ? 167 A 1 -ATOM 3006 C C . LEU A1 1 177 ? -4.613 17.423 -35.751 1.0 15.39 ? 167 A 1 -ATOM 3007 O O . LEU A1 1 177 ? -5.534 16.586 -35.845 1.0 15.81 ? 167 A 1 -ATOM 3008 C CB . LEU A1 1 177 ? -2.342 16.569 -35.202 1.0 18.25 ? 167 A 1 -ATOM 3009 C CG . LEU A1 1 177 ? -2.755 15.207 -34.72 1.0 19.18 ? 167 A 1 -ATOM 3010 C CD1 . LEU A1 1 177 ? -2.801 14.194 -35.769 1.0 22.07 ? 167 A 1 -ATOM 3011 C CD2 . LEU A1 1 177 ? -1.824 14.793 -33.538 1.0 23.66 ? 167 A 1 -ATOM 3012 H H . LEU A1 1 177 ? -1.884 18.559 -36.444 1.0 19.45 ? 167 A 1 -ATOM 3013 H HA . LEU A1 1 177 ? -3.327 16.451 -36.987 1.0 20.25 ? 167 A 1 -ATOM 3014 H HB2 . LEU A1 1 177 ? -1.437 16.502 -35.544 1.0 21.89 ? 167 A 1 -ATOM 3015 H HB3 . LEU A1 1 177 ? -2.366 17.173 -34.443 1.0 21.89 ? 167 A 1 -ATOM 3016 H HG . LEU A1 1 177 ? -3.673 15.255 -34.41 1.0 23.02 ? 167 A 1 -ATOM 3017 H HD11 . LEU A1 1 177 ? -2.878 13.318 -35.359 1.0 26.49 ? 167 A 1 -ATOM 3018 H HD12 . LEU A1 1 177 ? -3.569 14.362 -36.337 1.0 26.49 ? 167 A 1 -ATOM 3019 H HD13 . LEU A1 1 177 ? -1.985 14.243 -36.291 1.0 26.49 ? 167 A 1 -ATOM 3020 H HD21 . LEU A1 1 177 ? -2.09 13.917 -33.218 1.0 28.39 ? 167 A 1 -ATOM 3021 H HD22 . LEU A1 1 177 ? -0.907 14.766 -33.852 1.0 28.39 ? 167 A 1 -ATOM 3022 H HD23 . LEU A1 1 177 ? -1.911 15.445 -32.825 1.0 28.39 ? 167 A 1 -ATOM 3023 N N . HIS A1 1 178 ? -4.773 18.551 -35.048 1.0 14.71 ? 168 A 1 -ATOM 3024 C CA . HIS A1 1 178 ? -6.075 18.856 -34.433 1.0 14.19 ? 168 A 1 -ATOM 3025 C C . HIS A1 1 178 ? -7.177 18.816 -35.474 1.0 14.82 ? 168 A 1 -ATOM 3026 O O . HIS A1 1 178 ? -8.227 18.225 -35.269 1.0 15.09 ? 168 A 1 -ATOM 3027 C CB . HIS A1 1 178 ? -5.99 20.221 -33.726 1.0 14.57 ? 168 A 1 -ATOM 3028 C CG . HIS A1 1 178 ? -7.098 20.491 -32.764 1.0 13.59 ? 168 A 1 -ATOM 3029 N ND1 . HIS A1 1 178 ? -6.899 20.484 -31.401 1.0 14.19 ? 168 A 1 -ATOM 3030 C CD2 . HIS A1 1 178 ? -8.412 20.734 -32.95 1.0 13.43 ? 168 A 1 -ATOM 3031 C CE1 . HIS A1 1 178 ? -8.056 20.745 -30.806 1.0 14.89 ? 168 A 1 -ATOM 3032 N NE2 . HIS A1 1 178 ? -9.001 20.89 -31.71 1.0 14.51 ? 168 A 1 -ATOM 3033 H H . HIS A1 1 178 ? -4.163 19.141 -34.915 1.0 17.65 ? 168 A 1 -ATOM 3034 H HA . HIS A1 1 178 ? -6.295 18.194 -33.76 1.0 17.03 ? 168 A 1 -ATOM 3035 H HB2 . HIS A1 1 178 ? -5.157 20.26 -33.231 1.0 17.48 ? 168 A 1 -ATOM 3036 H HB3 . HIS A1 1 178 ? -6.009 20.919 -34.398 1.0 17.48 ? 168 A 1 -ATOM 3037 H HD1 . HIS A1 1 178 ? -6.151 20.335 -31.003 1.0 17.02 ? 168 A 1 -ATOM 3038 H HD2 . HIS A1 1 178 ? -8.846 20.788 -33.771 1.0 16.12 ? 168 A 1 -ATOM 3039 H HE1 . HIS A1 1 178 ? -8.18 20.816 -29.887 1.0 17.86 ? 168 A 1 -ATOM 3040 N N . ARG A1 1 179 ? -6.93 19.47 -36.637 1.0 14.75 ? 169 A 1 -ATOM 3041 C CA . ARG A1 1 179 ? -7.937 19.523 -37.699 1.0 15.36 ? 169 A 1 -ATOM 3042 C C . ARG A1 1 179 ? -8.155 18.168 -38.322 1.0 16.14 ? 169 A 1 -ATOM 3043 O O . ARG A1 1 179 ? -9.291 17.844 -38.662 1.0 17.41 ? 169 A 1 -ATOM 3044 C CB . ARG A1 1 179 ? -7.515 20.546 -38.744 1.0 17.93 ? 169 A 1 -ATOM 3045 C CG . ARG A1 1 179 ? -8.44 20.653 -39.991 1.0 19.83 ? 169 A 1 -ATOM 3046 C CD . ARG A1 1 179 ? -9.819 21.096 -39.601 1.0 18.64 ? 169 A 1 -ATOM 3047 N NE . ARG A1 1 179 ? -10.652 21.177 -40.824 0.91 20.36 ? 169 A 1 -ATOM 3048 C CZ . ARG A1 1 179 ? -11.823 21.772 -40.869 0.7 16.7 ? 169 A 1 -ATOM 3049 N NH1 . ARG A1 1 179 ? -12.34 22.354 -39.801 1.0 20.35 ? 169 A 1 -ATOM 3050 N NH2 . ARG A1 1 179 ? -12.509 21.803 -42.008 0.79 20.76 ? 169 A 1 -ATOM 3051 H H . ARG A1 1 179 ? -6.197 19.88 -36.823 1.0 17.7 ? 169 A 1 -ATOM 3052 H HA . ARG A1 1 179 ? -8.785 19.805 -37.323 1.0 18.44 ? 169 A 1 -ATOM 3053 H HB2 . ARG A1 1 179 ? -7.495 21.42 -38.324 1.0 21.52 ? 169 A 1 -ATOM 3054 H HB3 . ARG A1 1 179 ? -6.63 20.31 -39.062 1.0 21.52 ? 169 A 1 -ATOM 3055 H HG2 . ARG A1 1 179 ? -8.074 21.302 -40.611 1.0 23.8 ? 169 A 1 -ATOM 3056 H HG3 . ARG A1 1 179 ? -8.507 19.785 -40.42 1.0 23.8 ? 169 A 1 -ATOM 3057 H HD2 . ARG A1 1 179 ? -10.214 20.454 -38.99 1.0 22.37 ? 169 A 1 -ATOM 3058 H HD3 . ARG A1 1 179 ? -9.782 21.97 -39.183 1.0 22.37 ? 169 A 1 -ATOM 3059 H HE . ARG A1 1 179 ? -10.352 20.815 -41.545 0.94 24.44 ? 169 A 1 -ATOM 3060 H HH11 . ARG A1 1 179 ? -11.909 22.349 -39.057 1.0 24.42 ? 169 A 1 -ATOM 3061 H HH12 . ARG A1 1 179 ? -13.108 22.738 -39.85 1.0 24.42 ? 169 A 1 -ATOM 3062 H HH21 . ARG A1 1 179 ? -12.186 21.435 -42.715 0.84 24.91 ? 169 A 1 -ATOM 3063 H HH22 . ARG A1 1 179 ? -13.275 22.192 -42.038 0.84 24.91 ? 169 A 1 -ATOM 3064 N N . LYS A1 1 180 ? -7.113 17.367 -38.478 1.0 15.5 ? 170 A 1 -ATOM 3065 C CA . LYS A1 1 180 ? -7.266 16.027 -39.022 1.0 16.18 ? 170 A 1 -ATOM 3066 C C . LYS A1 1 180 ? -8.154 15.184 -38.112 1.0 16.83 ? 170 A 1 -ATOM 3067 O O . LYS A1 1 180 ? -8.998 14.415 -38.576 1.0 18.26 ? 170 A 1 -ATOM 3068 C CB . LYS A1 1 180 ? -5.931 15.36 -39.212 1.0 18.26 ? 170 A 1 -ATOM 3069 C CG . LYS A1 1 180 ? -5.102 15.969 -40.334 0.91 20.92 ? 170 A 1 -ATOM 3070 C CD . LYS A1 1 180 ? -3.747 15.312 -40.453 0.97 29.52 ? 170 A 1 -ATOM 3071 C CE . LYS A1 1 180 ? -2.912 15.822 -41.649 1.0 33.57 ? 170 A 1 -ATOM 3072 N NZ . LYS A1 1 180 ? -1.579 15.197 -41.5 0.56 29.19 ? 170 A 1 -ATOM 3073 H H . LYS A1 1 180 ? -6.303 17.574 -38.277 1.0 18.6 ? 170 A 1 -ATOM 3074 H HA . LYS A1 1 180 ? -7.678 16.094 -39.898 1.0 19.42 ? 170 A 1 -ATOM 3075 H HB2 . LYS A1 1 180 ? -5.423 15.44 -38.39 1.0 21.91 ? 170 A 1 -ATOM 3076 H HB3 . LYS A1 1 180 ? -6.076 14.425 -39.423 1.0 21.91 ? 170 A 1 -ATOM 3077 H HG2 . LYS A1 1 180 ? -5.569 15.853 -41.176 0.89 25.11 ? 170 A 1 -ATOM 3078 H HG3 . LYS A1 1 180 ? -4.967 16.913 -40.156 0.88 25.11 ? 170 A 1 -ATOM 3079 H HD2 . LYS A1 1 180 ? -3.242 15.488 -39.643 0.97 35.42 ? 170 A 1 -ATOM 3080 H HD3 . LYS A1 1 180 ? -3.871 14.357 -40.565 0.98 35.42 ? 170 A 1 -ATOM 3081 H HE2 . LYS A1 1 180 ? -3.312 15.548 -42.489 1.0 40.28 ? 170 A 1 -ATOM 3082 H HE3 . LYS A1 1 180 ? -2.827 16.788 -41.621 1.0 40.28 ? 170 A 1 -ATOM 3083 H HZ1 . LYS A1 1 180 ? -1.212 15.441 -40.726 0.52 35.02 ? 170 A 1 -ATOM 3084 H HZ2 . LYS A1 1 180 ? -1.655 14.31 -41.516 0.52 35.02 ? 170 A 1 -ATOM 3085 H HZ3 . LYS A1 1 180 ? -1.046 15.453 -42.165 0.52 35.02 ? 170 A 1 -ATOM 3086 N N . LEU A1 1 181 ? -7.993 15.308 -36.778 1.0 15.03 ? 171 A 1 -ATOM 3087 C CA . LEU A1 1 181 ? -8.727 14.463 -35.836 1.0 15.13 ? 171 A 1 -ATOM 3088 C C . LEU A1 1 181 ? -10.085 15.032 -35.473 1.0 14.47 ? 171 A 1 -ATOM 3089 O O . LEU A1 1 181 ? -10.953 14.286 -34.989 1.0 15.46 ? 171 A 1 -ATOM 3090 C CB . LEU A1 1 181 ? -7.883 14.281 -34.58 1.0 15.33 ? 171 A 1 -ATOM 3091 C CG . LEU A1 1 181 ? -6.603 13.56 -34.792 1.0 17.8 ? 171 A 1 -ATOM 3092 C CD1 . LEU A1 1 181 ? -5.837 13.555 -33.437 1.0 21.67 ? 171 A 1 -ATOM 3093 C CD2 . LEU A1 1 181 ? -6.786 12.175 -35.255 1.0 26.61 ? 171 A 1 -ATOM 3094 H H . LEU A1 1 181 ? -7.465 15.874 -36.403 1.0 18.04 ? 171 A 1 -ATOM 3095 H HA . LEU A1 1 181 ? -8.883 13.588 -36.225 1.0 18.16 ? 171 A 1 -ATOM 3096 H HB2 . LEU A1 1 181 ? -7.669 15.157 -34.223 1.0 18.4 ? 171 A 1 -ATOM 3097 H HB3 . LEU A1 1 181 ? -8.399 13.776 -33.932 1.0 18.4 ? 171 A 1 -ATOM 3098 H HG . LEU A1 1 181 ? -6.102 14.011 -35.49 1.0 21.36 ? 171 A 1 -ATOM 3099 H HD11 . LEU A1 1 181 ? -4.992 13.093 -33.553 1.0 26.0 ? 171 A 1 -ATOM 3100 H HD12 . LEU A1 1 181 ? -5.677 14.471 -33.161 1.0 26.0 ? 171 A 1 -ATOM 3101 H HD13 . LEU A1 1 181 ? -6.375 13.099 -32.771 1.0 26.0 ? 171 A 1 -ATOM 3102 H HD21 . LEU A1 1 181 ? -5.935 11.712 -35.209 1.0 31.93 ? 171 A 1 -ATOM 3103 H HD22 . LEU A1 1 181 ? -7.433 11.734 -34.683 1.0 31.93 ? 171 A 1 -ATOM 3104 H HD23 . LEU A1 1 181 ? -7.107 12.187 -36.17 1.0 31.93 ? 171 A 1 -ATOM 3105 N N . ARG A1 1 182 ? -10.309 16.324 -35.693 1.0 14.44 ? 172 A 1 -ATOM 3106 C CA . ARG A1 1 182 ? -11.513 17.049 -35.271 1.0 15.36 ? 172 A 1 -ATOM 3107 C C . ARG A1 1 182 ? -11.984 17.856 -36.478 1.0 16.65 ? 172 A 1 -ATOM 3108 O O . ARG A1 1 182 ? -11.844 19.077 -36.527 1.0 16.03 ? 172 A 1 -ATOM 3109 C CB . ARG A1 1 182 ? -11.227 17.919 -34.047 1.0 14.93 ? 172 A 1 -ATOM 3110 C CG . ARG A1 1 182 ? -10.549 17.103 -32.93 1.0 14.04 ? 172 A 1 -ATOM 3111 C CD . ARG A1 1 182 ? -10.448 17.867 -31.618 1.0 15.15 ? 172 A 1 -ATOM 3112 N NE . ARG A1 1 182 ? -11.805 18.034 -31.068 1.0 15.22 ? 172 A 1 -ATOM 3113 C CZ . ARG A1 1 182 ? -12.451 19.183 -30.883 1.0 15.25 ? 172 A 1 -ATOM 3114 N NH1 . ARG A1 1 182 ? -11.868 20.348 -31.065 1.0 14.87 ? 172 A 1 -ATOM 3115 N NH2 . ARG A1 1 182 ? -13.757 19.121 -30.546 1.0 16.02 ? 172 A 1 -ATOM 3116 H H . ARG A1 1 182 ? -9.751 16.832 -36.105 1.0 17.33 ? 172 A 1 -ATOM 3117 H HA . ARG A1 1 182 ? -12.221 16.439 -35.012 1.0 18.43 ? 172 A 1 -ATOM 3118 H HB2 . ARG A1 1 182 ? -10.636 18.645 -34.299 1.0 17.92 ? 172 A 1 -ATOM 3119 H HB3 . ARG A1 1 182 ? -12.062 18.274 -33.704 1.0 17.92 ? 172 A 1 -ATOM 3120 H HG2 . ARG A1 1 182 ? -11.066 16.298 -32.768 1.0 16.85 ? 172 A 1 -ATOM 3121 H HG3 . ARG A1 1 182 ? -9.65 16.869 -33.21 1.0 16.85 ? 172 A 1 -ATOM 3122 H HD2 . ARG A1 1 182 ? -9.908 17.37 -30.984 1.0 18.19 ? 172 A 1 -ATOM 3123 H HD3 . ARG A1 1 182 ? -10.058 18.742 -31.771 1.0 18.19 ? 172 A 1 -ATOM 3124 H HE . ARG A1 1 182 ? -12.223 17.316 -30.845 1.0 18.26 ? 172 A 1 -ATOM 3125 H HH11 . ARG A1 1 182 ? -11.045 20.383 -31.311 1.0 17.85 ? 172 A 1 -ATOM 3126 H HH12 . ARG A1 1 182 ? -12.31 21.074 -30.937 1.0 17.85 ? 172 A 1 -ATOM 3127 H HH21 . ARG A1 1 182 ? -14.143 18.358 -30.458 1.0 19.22 ? 172 A 1 -ATOM 3128 H HH22 . ARG A1 1 182 ? -14.203 19.845 -30.418 1.0 19.22 ? 172 A 1 -ATOM 3129 N N . PRO A1 1 183 ? -12.56 17.179 -37.467 1.0 16.51 ? 173 A 1 -ATOM 3130 C CA . PRO A1 1 183 ? -12.758 17.788 -38.794 1.0 15.91 ? 173 A 1 -ATOM 3131 C C . PRO A1 1 183 ? -13.825 18.842 -38.819 1.0 17.73 ? 173 A 1 -ATOM 3132 O O . PRO A1 1 183 ? -13.948 19.528 -39.849 1.0 20.77 ? 173 A 1 -ATOM 3133 C CB . PRO A1 1 183 ? -13.121 16.576 -39.667 1.0 18.74 ? 173 A 1 -ATOM 3134 C CG . PRO A1 1 183 ? -13.742 15.596 -38.693 1.0 20.41 ? 173 A 1 -ATOM 3135 C CD . PRO A1 1 183 ? -12.9 15.753 -37.44 1.0 18.35 ? 173 A 1 -ATOM 3136 H HA . PRO A1 1 183 ? -11.934 18.178 -39.123 1.0 19.1 ? 173 A 1 -ATOM 3137 H HB2 . PRO A1 1 183 ? -13.755 16.837 -40.354 1.0 22.49 ? 173 A 1 -ATOM 3138 H HB3 . PRO A1 1 183 ? -12.322 16.207 -40.075 1.0 22.49 ? 173 A 1 -ATOM 3139 H HG2 . PRO A1 1 183 ? -14.668 15.83 -38.525 1.0 24.49 ? 173 A 1 -ATOM 3140 H HG3 . PRO A1 1 183 ? -13.686 14.693 -39.043 1.0 24.49 ? 173 A 1 -ATOM 3141 H HD2 . PRO A1 1 183 ? -13.411 15.531 -36.646 1.0 22.02 ? 173 A 1 -ATOM 3142 H HD3 . PRO A1 1 183 ? -12.102 15.203 -37.484 1.0 22.02 ? 173 A 1 -ATOM 3143 N N . ASP A1 1 184 ? -14.589 19.016 -37.754 1.0 16.83 ? 174 A 1 -ATOM 3144 C CA . ASP A1 1 184 ? -15.603 20.044 -37.645 1.0 17.62 ? 174 A 1 -ATOM 3145 C C . ASP A1 1 184 ? -15.039 21.372 -37.208 1.0 18.66 ? 174 A 1 -ATOM 3146 O O . ASP A1 1 184 ? -15.772 22.365 -37.245 1.0 21.15 ? 174 A 1 -ATOM 3147 C CB . ASP A1 1 184 ? -16.651 19.627 -36.58 1.0 17.72 ? 174 A 1 -ATOM 3148 C CG . ASP A1 1 184 ? -17.26 18.324 -36.912 1.0 17.86 ? 174 A 1 -ATOM 3149 O OD1 . ASP A1 1 184 ? -18.078 18.254 -37.85 1.0 21.8 ? 174 A 1 -ATOM 3150 O OD2 . ASP A1 1 184 ? -16.927 17.331 -36.246 1.0 21.03 ? 174 A 1 -ATOM 3151 H H . ASP A1 1 184 ? -14.537 18.527 -37.049 1.0 20.19 ? 174 A 1 -ATOM 3152 H HA . ASP A1 1 184 ? -16.031 20.142 -38.511 1.0 21.14 ? 174 A 1 -ATOM 3153 H HB2 . ASP A1 1 184 ? -16.219 19.551 -35.715 1.0 21.26 ? 174 A 1 -ATOM 3154 H HB3 . ASP A1 1 184 ? -17.355 20.293 -36.543 1.0 21.26 ? 174 A 1 -ATOM 3155 N N . THR A1 1 185 ? -13.802 21.415 -36.728 1.0 15.82 ? 175 A 1 -ATOM 3156 C CA . THR A1 1 185 ? -13.351 22.579 -35.989 1.0 15.75 ? 175 A 1 -ATOM 3157 C C . THR A1 1 185 ? -11.857 22.743 -36.13 1.0 16.0 ? 175 A 1 -ATOM 3158 O O . THR A1 1 185 ? -11.293 22.313 -37.139 1.0 16.61 ? 175 A 1 -ATOM 3159 C CB . THR A1 1 185 ? -13.907 22.485 -34.557 1.0 15.43 ? 175 A 1 -ATOM 3160 O OG1 . THR A1 1 185 ? -13.567 23.704 -33.872 1.0 16.44 ? 175 A 1 -ATOM 3161 C CG2 . THR A1 1 185 ? -13.387 21.28 -33.783 1.0 15.42 ? 175 A 1 -ATOM 3162 H H . THR A1 1 185 ? -13.216 20.791 -36.817 1.0 18.99 ? 175 A 1 -ATOM 3163 H HA . THR A1 1 185 ? -13.697 23.416 -36.337 1.0 18.91 ? 175 A 1 -ATOM 3164 H HB . THR A1 1 185 ? -14.868 22.363 -34.596 1.0 18.52 ? 175 A 1 -ATOM 3165 H HG1 . THR A1 1 185 ? -13.831 23.669 -33.075 1.0 19.73 ? 175 A 1 -ATOM 3166 H HG21 . THR A1 1 185 ? -13.76 21.275 -32.887 1.0 18.5 ? 175 A 1 -ATOM 3167 H HG22 . THR A1 1 185 ? -13.642 20.461 -34.235 1.0 18.5 ? 175 A 1 -ATOM 3168 H HG23 . THR A1 1 185 ? -12.42 21.318 -33.721 1.0 18.5 ? 175 A 1 -ATOM 3169 N N . SER A1 1 186 ? -11.191 23.381 -35.167 1.0 16.36 ? 176 A 1 -ATOM 3170 C CA . SER A1 1 186 ? -9.781 23.702 -35.312 1.0 16.12 ? 176 A 1 -ATOM 3171 C C . SER A1 1 186 ? -9.211 24.004 -33.955 1.0 15.75 ? 176 A 1 -ATOM 3172 O O . SER A1 1 186 ? -9.952 24.336 -33.002 1.0 15.6 ? 176 A 1 -ATOM 3173 C CB . SER A1 1 186 ? -9.587 24.908 -36.21 1.0 16.76 ? 176 A 1 -ATOM 3174 O OG . SER A1 1 186 ? -10.182 26.057 -35.62 1.0 18.4 ? 176 A 1 -ATOM 3175 H H . SER A1 1 186 ? -11.538 23.637 -34.422 1.0 19.63 ? 176 A 1 -ATOM 3176 H HA . SER A1 1 186 ? -9.32 22.936 -35.69 1.0 19.35 ? 176 A 1 -ATOM 3177 H HB2 . SER A1 1 186 ? -8.637 25.067 -36.329 1.0 20.12 ? 176 A 1 -ATOM 3178 H HB3 . SER A1 1 186 ? -10.005 24.737 -37.068 1.0 20.12 ? 176 A 1 -ATOM 3179 H HG . SER A1 1 186 ? -10.083 26.722 -36.123 1.0 22.08 ? 176 A 1 -ATOM 3180 N N . PHE A1 1 187 ? -7.891 23.931 -33.861 1.0 15.84 ? 177 A 1 -ATOM 3181 C CA . PHE A1 1 187 ? -7.234 24.321 -32.62 1.0 16.52 ? 177 A 1 -ATOM 3182 C C . PHE A1 1 187 ? -7.499 25.792 -32.329 1.0 17.1 ? 177 A 1 -ATOM 3183 O O . PHE A1 1 187 ? -7.735 26.168 -31.186 1.0 17.16 ? 177 A 1 -ATOM 3184 C CB . PHE A1 1 187 ? -5.734 24.055 -32.702 1.0 16.95 ? 177 A 1 -ATOM 3185 C CG . PHE A1 1 187 ? -5.017 24.52 -31.466 1.0 18.37 ? 177 A 1 -ATOM 3186 C CD1 . PHE A1 1 187 ? -5.061 23.83 -30.321 1.0 20.83 ? 177 A 1 -ATOM 3187 C CD2 . PHE A1 1 187 ? -4.358 25.718 -31.523 1.0 23.95 ? 177 A 1 -ATOM 3188 C CE1 . PHE A1 1 187 ? -4.428 24.321 -29.153 1.0 21.32 ? 177 A 1 -ATOM 3189 C CE2 . PHE A1 1 187 ? -3.707 26.205 -30.371 1.0 28.46 ? 177 A 1 -ATOM 3190 C CZ . PHE A1 1 187 ? -3.74 25.48 -29.238 1.0 23.62 ? 177 A 1 -ATOM 3191 H H . PHE A1 1 187 ? -7.363 23.665 -34.485 1.0 19.0 ? 177 A 1 -ATOM 3192 H HA . PHE A1 1 187 ? -7.585 23.786 -31.892 1.0 19.83 ? 177 A 1 -ATOM 3193 H HB2 . PHE A1 1 187 ? -5.584 23.102 -32.8 1.0 20.35 ? 177 A 1 -ATOM 3194 H HB3 . PHE A1 1 187 ? -5.366 24.529 -33.464 1.0 20.35 ? 177 A 1 -ATOM 3195 H HD1 . PHE A1 1 187 ? -5.514 23.018 -30.291 1.0 25.0 ? 177 A 1 -ATOM 3196 H HD2 . PHE A1 1 187 ? -4.34 26.206 -32.315 1.0 28.73 ? 177 A 1 -ATOM 3197 H HE1 . PHE A1 1 187 ? -4.485 23.857 -28.349 1.0 25.59 ? 177 A 1 -ATOM 3198 H HE2 . PHE A1 1 187 ? -3.259 27.019 -30.394 1.0 34.16 ? 177 A 1 -ATOM 3199 H HZ . PHE A1 1 187 ? -3.275 25.786 -28.492 1.0 28.34 ? 177 A 1 -ATOM 3200 N N . GLU A1 1 188 ? -7.492 26.647 -33.362 1.0 17.04 ? 178 A 1 -ATOM 3201 C CA . GLU A1 1 188 ? -7.808 28.06 -33.145 1.0 18.15 ? 178 A 1 -ATOM 3202 C C . GLU A1 1 188 ? -9.16 28.228 -32.487 1.0 17.91 ? 178 A 1 -ATOM 3203 O O . GLU A1 1 188 ? -9.293 29.028 -31.561 1.0 17.8 ? 178 A 1 -ATOM 3204 C CB . GLU A1 1 188 ? -7.761 28.77 -34.496 1.0 20.38 ? 178 A 1 -ATOM 3205 C CG . GLU A1 1 188 ? -8.205 30.247 -34.468 1.0 27.3 ? 178 A 1 -ATOM 3206 C CD . GLU A1 1 188 ? -8.187 30.909 -35.877 0.76 32.55 ? 178 A 1 -ATOM 3207 O OE1 . GLU A1 1 188 ? -7.788 30.254 -36.853 0.63 34.22 ? 178 A 1 -ATOM 3208 O OE2 . GLU A1 1 188 ? -8.583 32.087 -35.985 0.72 32.33 ? 178 A 1 -ATOM 3209 H H . GLU A1 1 188 ? -7.312 26.437 -34.176 1.0 20.45 ? 178 A 1 -ATOM 3210 H HA . GLU A1 1 188 ? -7.154 28.463 -32.553 1.0 21.78 ? 178 A 1 -ATOM 3211 H HB2 . GLU A1 1 188 ? -6.849 28.746 -34.825 1.0 24.46 ? 178 A 1 -ATOM 3212 H HB3 . GLU A1 1 188 ? -8.347 28.301 -35.111 1.0 24.46 ? 178 A 1 -ATOM 3213 H HG2 . GLU A1 1 188 ? -9.111 30.297 -34.125 1.0 32.76 ? 178 A 1 -ATOM 3214 H HG3 . GLU A1 1 188 ? -7.604 30.746 -33.894 1.0 32.76 ? 178 A 1 -ATOM 3215 N N . ASN A1 1 189 ? -10.178 27.491 -32.924 1.0 16.85 ? 179 A 1 -ATOM 3216 C CA A ASN A1 1 189 ? -11.495 27.583 -32.287 0.58 19.45 ? 179 A 1 -ATOM 3217 C CA B ASN A1 1 189 ? -11.463 27.666 -32.264 0.42 14.99 ? 179 A 1 -ATOM 3218 C C . ASN A1 1 189 ? -11.41 27.162 -30.838 1.0 18.07 ? 179 A 1 -ATOM 3219 O O . ASN A1 1 189 ? -11.966 27.817 -29.948 1.0 18.18 ? 179 A 1 -ATOM 3220 C CB A ASN A1 1 189 ? -12.513 26.664 -32.991 0.58 19.73 ? 179 A 1 -ATOM 3221 C CB B ASN A1 1 189 ? -12.631 27.048 -33.042 0.42 15.31 ? 179 A 1 -ATOM 3222 C CG A ASN A1 1 189 ? -13.05 27.237 -34.274 0.58 20.73 ? 179 A 1 -ATOM 3223 C CG B ASN A1 1 189 ? -13.968 27.593 -32.564 0.42 18.49 ? 179 A 1 -ATOM 3224 O OD1 A ASN A1 1 189 ? -12.799 28.391 -34.62 0.58 24.47 ? 179 A 1 -ATOM 3225 O OD1 B ASN A1 1 189 ? -14.249 28.795 -32.716 0.42 26.37 ? 179 A 1 -ATOM 3226 N ND2 A ASN A1 1 189 ? -13.811 26.408 -35.01 0.58 21.55 ? 179 A 1 -ATOM 3227 N ND2 B ASN A1 1 189 ? -14.796 26.735 -31.969 0.42 16.91 ? 179 A 1 -ATOM 3228 H H A ASN A1 1 189 ? -10.137 26.936 -33.58 0.58 20.22 ? 179 A 1 -ATOM 3229 H H B ASN A1 1 189 ? -10.151 26.917 -33.564 0.42 20.22 ? 179 A 1 -ATOM 3230 H HA A ASN A1 1 189 ? -11.794 28.503 -32.359 0.58 23.34 ? 179 A 1 -ATOM 3231 H HA B ASN A1 1 189 ? -11.653 28.618 -32.25 0.42 17.98 ? 179 A 1 -ATOM 3232 H HB2 A ASN A1 1 189 ? -12.082 25.821 -33.199 0.58 23.68 ? 179 A 1 -ATOM 3233 H HB2 B ASN A1 1 189 ? -12.536 27.256 -33.984 0.42 18.38 ? 179 A 1 -ATOM 3234 H HB3 A ASN A1 1 189 ? -13.264 26.515 -32.395 0.58 23.68 ? 179 A 1 -ATOM 3235 H HB3 B ASN A1 1 189 ? -12.63 26.086 -32.913 0.42 18.38 ? 179 A 1 -ATOM 3236 H HD21 A ASN A1 1 189 ? -14.146 26.679 -35.754 0.58 25.86 ? 179 A 1 -ATOM 3237 H HD21 B ASN A1 1 189 ? -15.562 27.004 -31.684 0.42 20.3 ? 179 A 1 -ATOM 3238 H HD22 A ASN A1 1 189 ? -13.963 25.607 -34.737 0.58 25.86 ? 179 A 1 -ATOM 3239 H HD22 B ASN A1 1 189 ? -14.565 25.912 -31.87 0.42 20.3 ? 179 A 1 -ATOM 3240 N N . ARG A1 1 190 ? -10.77 26.025 -30.606 1.0 16.49 ? 180 A 1 -ATOM 3241 C CA . ARG A1 1 190 ? -10.691 25.475 -29.262 1.0 15.82 ? 180 A 1 -ATOM 3242 C C . ARG A1 1 190 ? -10.0 26.475 -28.332 1.0 15.08 ? 180 A 1 -ATOM 3243 O O . ARG A1 1 190 ? -10.439 26.727 -27.188 1.0 15.55 ? 180 A 1 -ATOM 3244 C CB . ARG A1 1 190 ? -9.909 24.154 -29.315 1.0 17.32 ? 180 A 1 -ATOM 3245 C CG . ARG A1 1 190 ? -10.059 23.255 -28.067 1.0 20.29 ? 180 A 1 -ATOM 3246 C CD . ARG A1 1 190 ? -11.112 22.356 -28.231 1.0 17.85 ? 180 A 1 -ATOM 3247 N NE . ARG A1 1 190 ? -11.308 21.313 -27.191 1.0 14.56 ? 180 A 1 -ATOM 3248 C CZ . ARG A1 1 190 ? -12.457 20.689 -27.056 1.0 13.4 ? 180 A 1 -ATOM 3249 N NH1 . ARG A1 1 190 ? -13.505 20.969 -27.827 1.0 14.54 ? 180 A 1 -ATOM 3250 N NH2 . ARG A1 1 190 ? -12.59 19.783 -26.098 1.0 14.1 ? 180 A 1 -ATOM 3251 H H . ARG A1 1 190 ? -10.374 25.554 -31.207 1.0 19.78 ? 180 A 1 -ATOM 3252 H HA . ARG A1 1 190 ? -11.579 25.295 -28.917 1.0 18.98 ? 180 A 1 -ATOM 3253 H HB2 . ARG A1 1 190 ? -10.219 23.645 -30.08 1.0 20.79 ? 180 A 1 -ATOM 3254 H HB3 . ARG A1 1 190 ? -8.966 24.36 -29.413 1.0 20.79 ? 180 A 1 -ATOM 3255 H HG2 . ARG A1 1 190 ? -9.241 22.75 -27.931 1.0 24.35 ? 180 A 1 -ATOM 3256 H HG3 . ARG A1 1 190 ? -10.242 23.806 -27.29 1.0 24.35 ? 180 A 1 -ATOM 3257 H HD2 . ARG A1 1 190 ? -11.935 22.868 -28.268 1.0 21.42 ? 180 A 1 -ATOM 3258 H HD3 . ARG A1 1 190 ? -10.974 21.888 -29.069 1.0 21.42 ? 180 A 1 -ATOM 3259 H HE . ARG A1 1 190 ? -10.656 21.113 -26.666 1.0 17.47 ? 180 A 1 -ATOM 3260 H HH11 . ARG A1 1 190 ? -13.442 21.573 -28.435 1.0 17.45 ? 180 A 1 -ATOM 3261 H HH12 . ARG A1 1 190 ? -14.245 20.545 -27.717 1.0 17.45 ? 180 A 1 -ATOM 3262 H HH21 . ARG A1 1 190 ? -11.93 19.61 -25.575 1.0 16.91 ? 180 A 1 -ATOM 3263 H HH22 . ARG A1 1 190 ? -13.337 19.368 -26.0 1.0 16.91 ? 180 A 1 -ATOM 3264 N N . LEU A1 1 191 ? -8.88 27.026 -28.769 1.0 15.44 ? 181 A 1 -ATOM 3265 C CA . LEU A1 1 191 ? -8.187 28.027 -27.984 1.0 16.84 ? 181 A 1 -ATOM 3266 C C . LEU A1 1 191 ? -9.027 29.287 -27.765 1.0 16.31 ? 181 A 1 -ATOM 3267 O O . LEU A1 1 191 ? -9.084 29.814 -26.645 1.0 16.84 ? 181 A 1 -ATOM 3268 C CB . LEU A1 1 191 ? -6.867 28.371 -28.656 1.0 18.34 ? 181 A 1 -ATOM 3269 C CG . LEU A1 1 191 ? -6.082 29.534 -28.038 1.0 19.33 ? 181 A 1 -ATOM 3270 C CD1 . LEU A1 1 191 ? -5.744 29.236 -26.615 1.0 23.2 ? 181 A 1 -ATOM 3271 C CD2 . LEU A1 1 191 ? -4.829 29.752 -28.848 1.0 26.11 ? 181 A 1 -ATOM 3272 H H . LEU A1 1 191 ? -8.5 26.837 -29.517 1.0 18.53 ? 181 A 1 -ATOM 3273 H HA . LEU A1 1 191 ? -8.005 27.656 -27.106 1.0 20.21 ? 181 A 1 -ATOM 3274 H HB2 . LEU A1 1 191 ? -6.296 27.587 -28.62 1.0 22.0 ? 181 A 1 -ATOM 3275 H HB3 . LEU A1 1 191 ? -7.05 28.605 -29.579 1.0 22.0 ? 181 A 1 -ATOM 3276 H HG . LEU A1 1 191 ? -6.615 30.345 -28.047 1.0 23.19 ? 181 A 1 -ATOM 3277 H HD11 . LEU A1 1 191 ? -5.153 29.927 -26.279 1.0 27.84 ? 181 A 1 -ATOM 3278 H HD12 . LEU A1 1 191 ? -6.562 29.218 -26.094 1.0 27.84 ? 181 A 1 -ATOM 3279 H HD13 . LEU A1 1 191 ? -5.304 28.373 -26.57 1.0 27.84 ? 181 A 1 -ATOM 3280 H HD21 . LEU A1 1 191 ? -4.321 30.478 -28.454 1.0 31.33 ? 181 A 1 -ATOM 3281 H HD22 . LEU A1 1 191 ? -4.302 28.938 -28.84 1.0 31.33 ? 181 A 1 -ATOM 3282 H HD23 . LEU A1 1 191 ? -5.077 29.977 -29.759 1.0 31.33 ? 181 A 1 -ATOM 3283 N N . ASN A1 1 192 ? -9.741 29.757 -28.783 1.0 16.83 ? 182 A 1 -ATOM 3284 C CA . ASN A1 1 192 ? -10.603 30.907 -28.59 1.0 18.04 ? 182 A 1 -ATOM 3285 C C . ASN A1 1 192 ? -11.645 30.64 -27.526 1.0 17.2 ? 182 A 1 -ATOM 3286 O O . ASN A1 1 192 ? -11.946 31.521 -26.717 1.0 17.18 ? 182 A 1 -ATOM 3287 C CB . ASN A1 1 192 ? -11.251 31.29 -29.907 1.0 18.85 ? 182 A 1 -ATOM 3288 C CG . ASN A1 1 192 ? -10.29 32.007 -30.795 1.0 26.15 ? 182 A 1 -ATOM 3289 O OD1 . ASN A1 1 192 ? -9.31 32.613 -30.307 1.0 28.13 ? 182 A 1 -ATOM 3290 N ND2 . ASN A1 1 192 ? -10.561 31.998 -32.092 1.0 30.94 ? 182 A 1 -ATOM 3291 H H . ASN A1 1 192 ? -9.742 29.432 -29.579 1.0 20.19 ? 182 A 1 -ATOM 3292 H HA . ASN A1 1 192 ? -10.068 31.659 -28.292 1.0 21.65 ? 182 A 1 -ATOM 3293 H HB2 . ASN A1 1 192 ? -11.55 30.488 -30.363 1.0 22.62 ? 182 A 1 -ATOM 3294 H HB3 . ASN A1 1 192 ? -12.006 31.875 -29.736 1.0 22.62 ? 182 A 1 -ATOM 3295 H HD21 . ASN A1 1 192 ? -10.036 32.398 -32.644 1.0 37.13 ? 182 A 1 -ATOM 3296 H HD22 . ASN A1 1 192 ? -11.261 31.592 -32.383 1.0 37.13 ? 182 A 1 -ATOM 3297 N N . CYS A1 1 193 ? -12.214 29.442 -27.499 1.0 15.78 ? 183 A 1 -ATOM 3298 C CA . CYS A1 1 193 ? -13.152 29.079 -26.433 1.0 15.6 ? 183 A 1 -ATOM 3299 C C . CYS A1 1 193 ? -12.469 29.127 -25.071 1.0 15.96 ? 183 A 1 -ATOM 3300 O O . CYS A1 1 193 ? -13.009 29.728 -24.135 1.0 16.27 ? 183 A 1 -ATOM 3301 C CB . CYS A1 1 193 ? -13.726 27.684 -26.684 1.0 14.69 ? 183 A 1 -ATOM 3302 S SG . CYS A1 1 193 ? -14.872 27.56 -28.068 1.0 17.55 ? 183 A 1 -ATOM 3303 H H . CYS A1 1 193 ? -12.079 28.822 -28.08 1.0 18.93 ? 183 A 1 -ATOM 3304 H HA . CYS A1 1 193 ? -13.884 29.715 -26.437 1.0 18.72 ? 183 A 1 -ATOM 3305 H HB2 . CYS A1 1 193 ? -12.99 27.077 -26.862 1.0 17.63 ? 183 A 1 -ATOM 3306 H HB3 . CYS A1 1 193 ? -14.203 27.402 -25.887 1.0 17.63 ? 183 A 1 -ATOM 3307 H HG . CYS A1 1 193 ? -14.31 27.9 -29.073 1.0 21.06 ? 183 A 1 -ATOM 3308 N N . LEU A1 1 194 ? -11.285 28.527 -24.955 1.0 14.25 ? 184 A 1 -ATOM 3309 C CA . LEU A1 1 194 ? -10.549 28.566 -23.674 1.0 15.1 ? 184 A 1 -ATOM 3310 C C . LEU A1 1 194 ? -10.252 29.99 -23.251 1.0 15.98 ? 184 A 1 -ATOM 3311 O O . LEU A1 1 194 ? -10.411 30.328 -22.046 1.0 16.97 ? 184 A 1 -ATOM 3312 C CB . LEU A1 1 194 ? -9.233 27.794 -23.822 1.0 16.12 ? 184 A 1 -ATOM 3313 C CG . LEU A1 1 194 ? -9.404 26.256 -23.814 1.0 14.93 ? 184 A 1 -ATOM 3314 C CD1 . LEU A1 1 194 ? -8.178 25.552 -24.271 1.0 17.83 ? 184 A 1 -ATOM 3315 C CD2 . LEU A1 1 194 ? -9.756 25.751 -22.425 1.0 16.59 ? 184 A 1 -ATOM 3316 H H . LEU A1 1 194 ? -10.886 28.097 -25.585 1.0 17.1 ? 184 A 1 -ATOM 3317 H HA . LEU A1 1 194 ? -11.094 28.149 -22.988 1.0 18.12 ? 184 A 1 -ATOM 3318 H HB2 . LEU A1 1 194 ? -8.82 28.042 -24.664 1.0 19.34 ? 184 A 1 -ATOM 3319 H HB3 . LEU A1 1 194 ? -8.65 28.03 -23.084 1.0 19.34 ? 184 A 1 -ATOM 3320 H HG . LEU A1 1 194 ? -10.126 26.054 -24.431 1.0 17.92 ? 184 A 1 -ATOM 3321 H HD11 . LEU A1 1 194 ? -8.35 24.597 -24.287 1.0 21.39 ? 184 A 1 -ATOM 3322 H HD12 . LEU A1 1 194 ? -7.949 25.862 -25.161 1.0 21.39 ? 184 A 1 -ATOM 3323 H HD13 . LEU A1 1 194 ? -7.455 25.747 -23.655 1.0 21.39 ? 184 A 1 -ATOM 3324 H HD21 . LEU A1 1 194 ? -9.774 24.781 -22.436 1.0 19.91 ? 184 A 1 -ATOM 3325 H HD22 . LEU A1 1 194 ? -9.086 26.062 -21.796 1.0 19.91 ? 184 A 1 -ATOM 3326 H HD23 . LEU A1 1 194 ? -10.629 26.094 -22.175 1.0 19.91 ? 184 A 1 -ATOM 3327 N N . LEU A1 1 195 ? -9.84 30.876 -24.177 1.0 16.21 ? 185 A 1 -ATOM 3328 C CA . LEU A1 1 195 ? -9.575 32.266 -23.819 1.0 17.67 ? 185 A 1 -ATOM 3329 C C . LEU A1 1 195 ? -10.834 32.978 -23.382 1.0 18.33 ? 185 A 1 -ATOM 3330 O O . LEU A1 1 195 ? -10.782 33.801 -22.449 1.0 18.65 ? 185 A 1 -ATOM 3331 C CB . LEU A1 1 195 ? -8.911 33.013 -24.978 1.0 21.23 ? 185 A 1 -ATOM 3332 C CG . LEU A1 1 195 ? -7.53 32.472 -25.35 1.0 21.47 ? 185 A 1 -ATOM 3333 C CD1 . LEU A1 1 195 ? -7.058 33.138 -26.642 1.0 24.07 ? 185 A 1 -ATOM 3334 C CD2 . LEU A1 1 195 ? -6.558 32.694 -24.217 1.0 28.07 ? 185 A 1 -ATOM 3335 H H . LEU A1 1 195 ? -9.711 30.693 -25.008 1.0 19.45 ? 185 A 1 -ATOM 3336 H HA . LEU A1 1 195 ? -8.953 32.269 -23.074 1.0 21.21 ? 185 A 1 -ATOM 3337 H HB2 . LEU A1 1 195 ? -9.479 32.94 -25.761 1.0 25.47 ? 185 A 1 -ATOM 3338 H HB3 . LEU A1 1 195 ? -8.808 33.945 -24.73 1.0 25.47 ? 185 A 1 -ATOM 3339 H HG . LEU A1 1 195 ? -7.572 31.515 -25.503 1.0 25.76 ? 185 A 1 -ATOM 3340 H HD11 . LEU A1 1 195 ? -6.173 32.807 -26.863 1.0 28.88 ? 185 A 1 -ATOM 3341 H HD12 . LEU A1 1 195 ? -7.679 32.921 -27.355 1.0 28.88 ? 185 A 1 -ATOM 3342 H HD13 . LEU A1 1 195 ? -7.028 34.098 -26.51 1.0 28.88 ? 185 A 1 -ATOM 3343 H HD21 . LEU A1 1 195 ? -5.658 32.516 -24.534 1.0 33.68 ? 185 A 1 -ATOM 3344 H HD22 . LEU A1 1 195 ? -6.627 33.613 -23.916 1.0 33.68 ? 185 A 1 -ATOM 3345 H HD23 . LEU A1 1 195 ? -6.777 32.09 -23.49 1.0 33.68 ? 185 A 1 -ATOM 3346 N N . THR A1 1 196 ? -11.962 32.699 -24.044 1.0 17.38 ? 186 A 1 -ATOM 3347 C CA . THR A1 1 196 ? -13.225 33.334 -23.674 1.0 19.54 ? 186 A 1 -ATOM 3348 C C . THR A1 1 196 ? -13.618 32.869 -22.282 1.0 18.14 ? 186 A 1 -ATOM 3349 O O . THR A1 1 196 ? -14.003 33.68 -21.427 1.0 19.74 ? 186 A 1 -ATOM 3350 C CB . THR A1 1 196 ? -14.281 32.969 -24.704 1.0 19.47 ? 186 A 1 -ATOM 3351 O OG1 . THR A1 1 196 ? -13.924 33.542 -25.966 1.0 22.21 ? 186 A 1 -ATOM 3352 C CG2 . THR A1 1 196 ? -15.639 33.499 -24.352 1.0 22.86 ? 186 A 1 -ATOM 3353 H H . THR A1 1 196 ? -12.02 32.152 -24.705 1.0 20.86 ? 186 A 1 -ATOM 3354 H HA . THR A1 1 196 ? -13.146 34.301 -23.667 1.0 23.45 ? 186 A 1 -ATOM 3355 H HB . THR A1 1 196 ? -14.33 32.001 -24.744 1.0 23.36 ? 186 A 1 -ATOM 3356 H HG1 . THR A1 1 196 ? -13.18 33.242 -26.217 1.0 26.65 ? 186 A 1 -ATOM 3357 H HG21 . THR A1 1 196 ? -16.244 33.386 -25.101 1.0 27.43 ? 186 A 1 -ATOM 3358 H HG22 . THR A1 1 196 ? -15.993 33.021 -23.586 1.0 27.43 ? 186 A 1 -ATOM 3359 H HG23 . THR A1 1 196 ? -15.58 34.443 -24.134 1.0 27.43 ? 186 A 1 -ATOM 3360 N N . LEU A1 1 197 ? -13.522 31.584 -22.016 1.0 16.88 ? 187 A 1 -ATOM 3361 C CA . LEU A1 1 197 ? -13.878 31.074 -20.687 1.0 16.43 ? 187 A 1 -ATOM 3362 C C . LEU A1 1 197 ? -13.042 31.748 -19.621 1.0 18.73 ? 187 A 1 -ATOM 3363 O O . LEU A1 1 197 ? -13.569 32.13 -18.56 1.0 18.75 ? 187 A 1 -ATOM 3364 C CB . LEU A1 1 197 ? -13.684 29.575 -20.687 1.0 15.56 ? 187 A 1 -ATOM 3365 C CG . LEU A1 1 197 ? -14.685 28.791 -21.531 1.0 16.06 ? 187 A 1 -ATOM 3366 C CD1 . LEU A1 1 197 ? -14.19 27.399 -21.815 1.0 17.01 ? 187 A 1 -ATOM 3367 C CD2 . LEU A1 1 197 ? -16.074 28.743 -20.92 1.0 16.89 ? 187 A 1 -ATOM 3368 H H . LEU A1 1 197 ? -13.257 30.984 -22.572 1.0 20.26 ? 187 A 1 -ATOM 3369 H HA . LEU A1 1 197 ? -14.808 31.26 -20.482 1.0 19.71 ? 187 A 1 -ATOM 3370 H HB2 . LEU A1 1 197 ? -12.799 29.382 -21.032 1.0 18.68 ? 187 A 1 -ATOM 3371 H HB3 . LEU A1 1 197 ? -13.762 29.257 -19.774 1.0 18.68 ? 187 A 1 -ATOM 3372 H HG . LEU A1 1 197 ? -14.768 29.267 -22.372 1.0 19.27 ? 187 A 1 -ATOM 3373 H HD11 . LEU A1 1 197 ? -14.857 26.927 -22.337 1.0 20.41 ? 187 A 1 -ATOM 3374 H HD12 . LEU A1 1 197 ? -13.359 27.455 -22.313 1.0 20.41 ? 187 A 1 -ATOM 3375 H HD13 . LEU A1 1 197 ? -14.041 26.939 -20.974 1.0 20.41 ? 187 A 1 -ATOM 3376 H HD21 . LEU A1 1 197 ? -16.652 28.214 -21.491 1.0 20.26 ? 187 A 1 -ATOM 3377 H HD22 . LEU A1 1 197 ? -16.018 28.339 -20.04 1.0 20.26 ? 187 A 1 -ATOM 3378 H HD23 . LEU A1 1 197 ? -16.418 29.647 -20.847 1.0 20.26 ? 187 A 1 -ATOM 3379 N N . LYS A1 1 198 ? -11.743 31.909 -19.84 1.0 17.29 ? 188 A 1 -ATOM 3380 C CA A LYS A1 1 198 ? -10.914 32.583 -18.844 0.72 18.4 ? 188 A 1 -ATOM 3381 C CA B LYS A1 1 198 ? -10.939 32.595 -18.815 0.28 19.31 ? 188 A 1 -ATOM 3382 C C . LYS A1 1 198 ? -11.357 34.039 -18.665 1.0 19.45 ? 188 A 1 -ATOM 3383 O O . LYS A1 1 198 ? -11.458 34.544 -17.545 1.0 21.57 ? 188 A 1 -ATOM 3384 C CB A LYS A1 1 198 ? -9.456 32.503 -19.229 0.72 19.04 ? 188 A 1 -ATOM 3385 C CB B LYS A1 1 198 ? -9.457 32.659 -19.084 0.28 24.88 ? 188 A 1 -ATOM 3386 C CG A LYS A1 1 198 ? -8.535 32.872 -18.023 0.72 42.5 ? 188 A 1 -ATOM 3387 C CG B LYS A1 1 198 ? -8.773 31.409 -19.368 0.28 21.61 ? 188 A 1 -ATOM 3388 C CD A LYS A1 1 198 ? -7.02 32.848 -18.297 0.72 64.04 ? 188 A 1 -ATOM 3389 C CD B LYS A1 1 198 ? -7.906 31.675 -20.6 0.28 59.29 ? 188 A 1 -ATOM 3390 C CE A LYS A1 1 198 ? -6.452 31.466 -18.639 0.72 55.02 ? 188 A 1 -ATOM 3391 C CE B LYS A1 1 198 ? -6.507 31.137 -20.448 0.28 31.91 ? 188 A 1 -ATOM 3392 N NZ A LYS A1 1 198 ? -6.54 31.121 -20.101 0.72 39.29 ? 188 A 1 -ATOM 3393 N NZ B LYS A1 1 198 ? -6.023 31.481 -19.085 0.28 49.58 ? 188 A 1 -ATOM 3394 H H . LYS A1 1 198 ? -11.32 31.645 -20.54 1.0 20.75 ? 188 A 1 -ATOM 3395 H HA . LYS A1 1 198 ? -11.011 32.13 -17.992 1.0 23.17 ? 188 A 1 -ATOM 3396 H HB2 A LYS A1 1 198 ? -9.247 31.599 -19.511 0.72 22.85 ? 188 A 1 -ATOM 3397 H HB2 B LYS A1 1 198 ? -9.319 33.235 -19.852 0.28 29.86 ? 188 A 1 -ATOM 3398 H HB3 A LYS A1 1 198 ? -9.279 33.126 -19.952 0.72 22.85 ? 188 A 1 -ATOM 3399 H HB3 B LYS A1 1 198 ? -9.03 33.041 -18.301 0.28 29.86 ? 188 A 1 -ATOM 3400 H HG2 A LYS A1 1 198 ? -8.758 33.771 -17.734 0.72 51.0 ? 188 A 1 -ATOM 3401 H HG2 B LYS A1 1 198 ? -8.212 31.149 -18.621 0.28 25.93 ? 188 A 1 -ATOM 3402 H HG3 A LYS A1 1 198 ? -8.705 32.241 -17.306 0.72 51.0 ? 188 A 1 -ATOM 3403 H HG3 B LYS A1 1 198 ? -9.413 30.706 -19.563 0.28 25.93 ? 188 A 1 -ATOM 3404 H HD2 A LYS A1 1 198 ? -6.832 33.433 -19.047 0.72 76.84 ? 188 A 1 -ATOM 3405 H HD2 B LYS A1 1 198 ? -8.31 31.248 -21.371 0.28 71.15 ? 188 A 1 -ATOM 3406 H HD3 A LYS A1 1 198 ? -6.558 33.165 -17.505 0.72 76.84 ? 188 A 1 -ATOM 3407 H HD3 B LYS A1 1 198 ? -7.845 32.632 -20.744 0.28 71.15 ? 188 A 1 -ATOM 3408 H HE2 A LYS A1 1 198 ? -5.517 31.44 -18.384 0.72 66.03 ? 188 A 1 -ATOM 3409 H HE2 B LYS A1 1 198 ? -6.507 30.172 -20.552 0.28 38.29 ? 188 A 1 -ATOM 3410 H HE3 A LYS A1 1 198 ? -6.949 30.794 -18.146 0.72 66.03 ? 188 A 1 -ATOM 3411 H HE3 B LYS A1 1 198 ? -5.92 31.541 -21.106 0.28 38.29 ? 188 A 1 -ATOM 3412 H HZ1 A LYS A1 1 198 ? -6.167 30.327 -20.249 0.72 47.15 ? 188 A 1 -ATOM 3413 H HZ1 B LYS A1 1 198 ? -5.135 31.546 -19.085 0.28 59.49 ? 188 A 1 -ATOM 3414 H HZ2 A LYS A1 1 198 ? -7.392 31.093 -20.357 0.72 47.15 ? 188 A 1 -ATOM 3415 H HZ2 B LYS A1 1 198 ? -6.369 32.259 -18.826 0.28 59.49 ? 188 A 1 -ATOM 3416 H HZ3 A LYS A1 1 198 ? -6.114 31.735 -20.584 0.72 47.15 ? 188 A 1 -ATOM 3417 H HZ3 B LYS A1 1 198 ? -6.267 30.849 -18.507 0.28 59.49 ? 188 A 1 -ATOM 3418 N N . GLU A1 1 199 ? -11.611 34.737 -19.772 1.0 19.18 ? 189 A 1 -ATOM 3419 C CA . GLU A1 1 199 ? -11.983 36.132 -19.699 1.0 19.84 ? 189 A 1 -ATOM 3420 C C . GLU A1 1 199 ? -13.281 36.308 -18.911 1.0 23.09 ? 189 A 1 -ATOM 3421 O O . GLU A1 1 199 ? -13.453 37.3 -18.203 1.0 24.22 ? 189 A 1 -ATOM 3422 C CB . GLU A1 1 199 ? -12.148 36.71 -21.11 1.0 23.41 ? 189 A 1 -ATOM 3423 C CG . GLU A1 1 199 ? -12.503 38.166 -21.165 1.0 31.06 ? 189 A 1 -ATOM 3424 C CD . GLU A1 1 199 ? -13.012 38.587 -22.532 1.0 62.68 ? 189 A 1 -ATOM 3425 O OE1 . GLU A1 1 199 ? -12.983 37.759 -23.471 1.0 56.93 ? 189 A 1 -ATOM 3426 O OE2 . GLU A1 1 199 ? -13.464 39.742 -22.659 1.0 93.12 ? 189 A 1 -ATOM 3427 H H . GLU A1 1 199 ? -11.573 34.42 -20.571 1.0 23.01 ? 189 A 1 -ATOM 3428 H HA . GLU A1 1 199 ? -11.276 36.624 -19.253 1.0 23.81 ? 189 A 1 -ATOM 3429 H HB2 . GLU A1 1 199 ? -11.31 36.598 -21.586 1.0 28.09 ? 189 A 1 -ATOM 3430 H HB3 . GLU A1 1 199 ? -12.854 36.222 -21.561 1.0 28.09 ? 189 A 1 -ATOM 3431 H HG2 . GLU A1 1 199 ? -13.199 38.348 -20.515 1.0 37.28 ? 189 A 1 -ATOM 3432 H HG3 . GLU A1 1 199 ? -11.714 38.693 -20.963 1.0 37.28 ? 189 A 1 -ATOM 3433 N N . LEU A1 1 200 ? -14.196 35.344 -19.006 1.0 20.31 ? 190 A 1 -ATOM 3434 C CA . LEU A1 1 200 ? -15.455 35.392 -18.284 1.0 22.03 ? 190 A 1 -ATOM 3435 C C . LEU A1 1 200 ? -15.315 35.022 -16.804 1.0 20.35 ? 190 A 1 -ATOM 3436 O O . LEU A1 1 200 ? -16.311 35.096 -16.074 1.0 24.22 ? 190 A 1 -ATOM 3437 C CB . LEU A1 1 200 ? -16.474 34.434 -18.942 1.0 20.64 ? 190 A 1 -ATOM 3438 C CG . LEU A1 1 200 ? -16.939 34.884 -20.339 1.0 21.97 ? 190 A 1 -ATOM 3439 C CD1 . LEU A1 1 200 ? -17.764 33.86 -21.045 1.0 21.03 ? 190 A 1 -ATOM 3440 C CD2 . LEU A1 1 200 ? -17.739 36.194 -20.26 1.0 30.45 ? 190 A 1 -ATOM 3441 H H . LEU A1 1 200 ? -14.106 34.64 -19.492 1.0 24.37 ? 190 A 1 -ATOM 3442 H HA . LEU A1 1 200 ? -15.801 36.297 -18.336 1.0 26.44 ? 190 A 1 -ATOM 3443 H HB2 . LEU A1 1 200 ? -16.064 33.559 -19.033 1.0 24.76 ? 190 A 1 -ATOM 3444 H HB3 . LEU A1 1 200 ? -17.258 34.375 -18.373 1.0 24.76 ? 190 A 1 -ATOM 3445 H HG . LEU A1 1 200 ? -16.131 35.019 -20.859 1.0 26.36 ? 190 A 1 -ATOM 3446 H HD11 . LEU A1 1 200 ? -17.996 34.194 -21.925 1.0 25.24 ? 190 A 1 -ATOM 3447 H HD12 . LEU A1 1 200 ? -17.251 33.042 -21.126 1.0 25.24 ? 190 A 1 -ATOM 3448 H HD13 . LEU A1 1 200 ? -18.571 33.696 -20.531 1.0 25.24 ? 190 A 1 -ATOM 3449 H HD21 . LEU A1 1 200 ? -18.118 36.385 -21.132 1.0 36.54 ? 190 A 1 -ATOM 3450 H HD22 . LEU A1 1 200 ? -18.448 36.092 -19.606 1.0 36.54 ? 190 A 1 -ATOM 3451 H HD23 . LEU A1 1 200 ? -17.143 36.912 -19.993 1.0 36.54 ? 190 A 1 -ATOM 3452 N N . GLY A1 1 201 ? -14.153 34.585 -16.387 1.0 19.9 ? 191 A 1 -ATOM 3453 C CA . GLY A1 1 201 ? -13.873 34.295 -14.977 1.0 20.89 ? 191 A 1 -ATOM 3454 C C . GLY A1 1 201 ? -14.11 32.867 -14.565 1.0 20.83 ? 191 A 1 -ATOM 3455 O O . GLY A1 1 201 ? -14.092 32.56 -13.363 1.0 20.68 ? 191 A 1 -ATOM 3456 H H . GLY A1 1 201 ? -13.482 34.44 -16.904 1.0 23.88 ? 191 A 1 -ATOM 3457 H HA2 . GLY A1 1 201 ? -12.944 34.505 -14.796 1.0 25.06 ? 191 A 1 -ATOM 3458 H HA3 . GLY A1 1 201 ? -14.438 34.859 -14.426 1.0 25.06 ? 191 A 1 -ATOM 3459 N N . TYR A1 1 202 ? -14.299 31.946 -15.493 1.0 16.84 ? 192 A 1 -ATOM 3460 C CA . TYR A1 1 202 ? -14.29 30.552 -15.138 1.0 15.87 ? 192 A 1 -ATOM 3461 C C . TYR A1 1 202 ? -12.903 30.117 -14.69 1.0 16.97 ? 192 A 1 -ATOM 3462 O O . TYR A1 1 202 ? -11.867 30.58 -15.216 1.0 18.7 ? 192 A 1 -ATOM 3463 C CB . TYR A1 1 202 ? -14.621 29.712 -16.377 1.0 17.03 ? 192 A 1 -ATOM 3464 C CG . TYR A1 1 202 ? -16.051 29.706 -16.834 1.0 15.56 ? 192 A 1 -ATOM 3465 C CD1 . TYR A1 1 202 ? -16.499 30.628 -17.751 1.0 16.17 ? 192 A 1 -ATOM 3466 C CD2 . TYR A1 1 202 ? -16.926 28.708 -16.426 1.0 16.42 ? 192 A 1 -ATOM 3467 C CE1 . TYR A1 1 202 ? -17.784 30.586 -18.242 1.0 16.09 ? 192 A 1 -ATOM 3468 C CE2 . TYR A1 1 202 ? -18.21 28.65 -16.915 1.0 15.89 ? 192 A 1 -ATOM 3469 C CZ . TYR A1 1 202 ? -18.618 29.56 -17.839 1.0 15.74 ? 192 A 1 -ATOM 3470 O OH . TYR A1 1 202 ? -19.907 29.435 -18.316 1.0 17.34 ? 192 A 1 -ATOM 3471 H H . TYR A1 1 202 ? -14.434 32.106 -16.328 1.0 20.2 ? 192 A 1 -ATOM 3472 H HA . TYR A1 1 202 ? -14.933 30.406 -14.426 1.0 19.04 ? 192 A 1 -ATOM 3473 H HB2 . TYR A1 1 202 ? -14.09 30.048 -17.116 1.0 20.44 ? 192 A 1 -ATOM 3474 H HB3 . TYR A1 1 202 ? -14.381 28.792 -16.187 1.0 20.44 ? 192 A 1 -ATOM 3475 H HD1 . TYR A1 1 202 ? -15.921 31.294 -18.045 1.0 19.4 ? 192 A 1 -ATOM 3476 H HD2 . TYR A1 1 202 ? -16.639 28.069 -15.814 1.0 19.71 ? 192 A 1 -ATOM 3477 H HE1 . TYR A1 1 202 ? -18.086 31.236 -18.835 1.0 19.31 ? 192 A 1 -ATOM 3478 H HE2 . TYR A1 1 202 ? -18.796 27.993 -16.616 1.0 19.06 ? 192 A 1 -ATOM 3479 H HH . TYR A1 1 202 ? -20.074 30.055 -18.857 1.0 20.8 ? 192 A 1 -ATOM 3480 N N . GLU A1 1 203 ? -12.854 29.172 -13.749 1.0 16.26 ? 193 A 1 -ATOM 3481 C CA A GLU A1 1 203 ? -11.682 28.311 -13.631 0.58 16.3 ? 193 A 1 -ATOM 3482 C CA B GLU A1 1 203 ? -11.687 28.307 -13.635 0.42 15.17 ? 193 A 1 -ATOM 3483 C C . GLU A1 1 203 ? -11.68 27.407 -14.848 1.0 17.0 ? 193 A 1 -ATOM 3484 O O . GLU A1 1 203 ? -12.674 26.711 -15.106 1.0 17.13 ? 193 A 1 -ATOM 3485 C CB A GLU A1 1 203 ? -11.721 27.503 -12.334 0.58 16.74 ? 193 A 1 -ATOM 3486 C CB B GLU A1 1 203 ? -11.779 27.454 -12.387 0.42 14.42 ? 193 A 1 -ATOM 3487 C CG A GLU A1 1 203 ? -11.631 28.418 -11.104 0.58 14.98 ? 193 A 1 -ATOM 3488 C CG B GLU A1 1 203 ? -11.183 28.078 -11.18 0.42 39.44 ? 193 A 1 -ATOM 3489 C CD A GLU A1 1 203 ? -11.641 27.723 -9.744 0.58 26.4 ? 193 A 1 -ATOM 3490 C CD B GLU A1 1 203 ? -11.397 27.181 -10.027 0.42 34.9 ? 193 A 1 -ATOM 3491 O OE1 A GLU A1 1 203 ? -11.356 26.503 -9.65 0.58 17.05 ? 193 A 1 -ATOM 3492 O OE1 B GLU A1 1 203 ? -12.464 27.327 -9.399 0.42 19.43 ? 193 A 1 -ATOM 3493 O OE2 A GLU A1 1 203 ? -11.958 28.444 -8.742 0.58 20.37 ? 193 A 1 -ATOM 3494 O OE2 B GLU A1 1 203 ? -10.55 26.267 -9.846 0.42 19.77 ? 193 A 1 -ATOM 3495 H H A GLU A1 1 203 ? -13.477 29.014 -13.178 0.58 19.51 ? 193 A 1 -ATOM 3496 H H B GLU A1 1 203 ? -13.475 29.017 -13.175 0.42 19.51 ? 193 A 1 -ATOM 3497 H HA A GLU A1 1 203 ? -10.865 28.833 -13.596 0.58 19.57 ? 193 A 1 -ATOM 3498 H HA B GLU A1 1 203 ? -10.877 28.838 -13.581 0.42 18.2 ? 193 A 1 -ATOM 3499 H HB2 A GLU A1 1 203 ? -12.554 27.009 -12.288 0.58 20.08 ? 193 A 1 -ATOM 3500 H HB2 B GLU A1 1 203 ? -12.714 27.281 -12.198 0.42 17.3 ? 193 A 1 -ATOM 3501 H HB3 A GLU A1 1 203 ? -10.97 26.889 -12.314 0.58 20.08 ? 193 A 1 -ATOM 3502 H HB3 B GLU A1 1 203 ? -11.312 26.619 -12.548 0.42 17.3 ? 193 A 1 -ATOM 3503 H HG2 A GLU A1 1 203 ? -10.803 28.921 -11.161 0.58 17.97 ? 193 A 1 -ATOM 3504 H HG2 B GLU A1 1 203 ? -10.23 28.205 -11.31 0.42 47.33 ? 193 A 1 -ATOM 3505 H HG3 A GLU A1 1 203 ? -12.389 29.024 -11.121 0.58 17.97 ? 193 A 1 -ATOM 3506 H HG3 B GLU A1 1 203 ? -11.611 28.93 -11.003 0.42 47.33 ? 193 A 1 -ATOM 3507 N N A THR A1 1 204 ? -10.603 27.444 -15.618 0.59 14.17 ? 194 A 1 -ATOM 3508 N N B THR A1 1 204 ? -10.655 27.525 -15.674 0.41 18.99 ? 194 A 1 -ATOM 3509 C CA A THR A1 1 204 ? -10.578 26.886 -16.961 0.59 13.92 ? 194 A 1 -ATOM 3510 C CA B THR A1 1 204 ? -10.663 26.835 -16.948 0.41 20.19 ? 194 A 1 -ATOM 3511 C C A THR A1 1 204 ? -9.636 25.715 -17.021 0.59 16.15 ? 194 A 1 -ATOM 3512 C C B THR A1 1 204 ? -9.679 25.692 -16.961 0.41 13.49 ? 194 A 1 -ATOM 3513 O O A THR A1 1 204 ? -8.471 25.809 -16.598 0.59 16.86 ? 194 A 1 -ATOM 3514 O O B THR A1 1 204 ? -8.537 25.796 -16.479 0.41 15.24 ? 194 A 1 -ATOM 3515 C CB A THR A1 1 204 ? -10.168 27.981 -17.935 0.59 14.37 ? 194 A 1 -ATOM 3516 C CB B THR A1 1 204 ? -10.402 27.76 -18.123 0.41 18.49 ? 194 A 1 -ATOM 3517 O OG1 A THR A1 1 204 ? -11.071 29.094 -17.79 0.59 21.25 ? 194 A 1 -ATOM 3518 O OG1 B THR A1 1 204 ? -9.054 28.211 -18.086 0.41 17.55 ? 194 A 1 -ATOM 3519 C CG2 A THR A1 1 204 ? -10.262 27.535 -19.373 0.59 18.06 ? 194 A 1 -ATOM 3520 C CG2 B THR A1 1 204 ? -11.353 28.933 -18.065 0.41 14.79 ? 194 A 1 -ATOM 3521 H H A THR A1 1 204 ? -9.856 27.796 -15.378 0.59 17.01 ? 194 A 1 -ATOM 3522 H H B THR A1 1 204 ? -9.952 27.995 -15.519 0.41 22.79 ? 194 A 1 -ATOM 3523 H HA A THR A1 1 204 ? -11.45 26.543 -17.211 0.59 16.71 ? 194 A 1 -ATOM 3524 H HA B THR A1 1 204 ? -11.551 26.463 -17.065 0.41 24.22 ? 194 A 1 -ATOM 3525 H HB A THR A1 1 204 ? -9.248 28.222 -17.742 0.59 17.24 ? 194 A 1 -ATOM 3526 H HB B THR A1 1 204 ? -10.545 27.292 -18.961 0.41 22.18 ? 194 A 1 -ATOM 3527 H HG1 A THR A1 1 204 ? -10.833 29.724 -18.292 0.59 25.5 ? 194 A 1 -ATOM 3528 H HG1 B THR A1 1 204 ? -8.91 28.737 -18.724 0.41 21.06 ? 194 A 1 -ATOM 3529 H HG21 A THR A1 1 204 ? -10.551 28.274 -19.931 0.59 21.68 ? 194 A 1 -ATOM 3530 H HG21 B THR A1 1 204 ? -11.308 29.438 -18.893 0.41 17.75 ? 194 A 1 -ATOM 3531 H HG22 A THR A1 1 204 ? -9.396 27.227 -19.682 0.59 21.68 ? 194 A 1 -ATOM 3532 H HG22 B THR A1 1 204 ? -12.261 28.619 -17.937 0.41 17.75 ? 194 A 1 -ATOM 3533 H HG23 A THR A1 1 204 ? -10.902 26.81 -19.454 0.59 21.68 ? 194 A 1 -ATOM 3534 H HG23 B THR A1 1 204 ? -11.115 29.517 -17.328 0.41 17.75 ? 194 A 1 -ATOM 3535 N N . GLY A1 1 205 ? -10.13 24.606 -17.559 1.0 13.93 ? 195 A 1 -ATOM 3536 C CA . GLY A1 1 205 ? -9.357 23.407 -17.717 1.0 13.8 ? 195 A 1 -ATOM 3537 C C . GLY A1 1 205 ? -9.048 23.05 -19.148 1.0 13.04 ? 195 A 1 -ATOM 3538 O O . GLY A1 1 205 ? -9.973 23.042 -19.993 1.0 13.89 ? 195 A 1 -ATOM 3539 H H A GLY A1 1 205 ? -10.938 24.532 -17.845 0.59 16.72 ? 195 A 1 -ATOM 3540 H H B GLY A1 1 205 ? -10.919 24.541 -17.895 0.41 16.72 ? 195 A 1 -ATOM 3541 H HA2 . GLY A1 1 205 ? -8.514 23.514 -17.249 1.0 16.55 ? 195 A 1 -ATOM 3542 H HA3 . GLY A1 1 205 ? -9.844 22.666 -17.324 1.0 16.55 ? 195 A 1 -ATOM 3543 N N . ALA A1 1 206 ? -7.806 22.718 -19.44 1.0 13.08 ? 196 A 1 -ATOM 3544 C CA . ALA A1 1 206 ? -7.401 22.198 -20.733 1.0 12.71 ? 196 A 1 -ATOM 3545 C C . ALA A1 1 206 ? -6.81 20.819 -20.532 1.0 13.44 ? 196 A 1 -ATOM 3546 O O . ALA A1 1 206 ? -7.172 20.154 -19.558 1.0 13.34 ? 196 A 1 -ATOM 3547 C CB . ALA A1 1 206 ? -6.451 23.179 -21.436 1.0 15.34 ? 196 A 1 -ATOM 3548 H H . ALA A1 1 206 ? -7.152 22.785 -18.886 1.0 15.69 ? 196 A 1 -ATOM 3549 H HA . ALA A1 1 206 ? -8.156 22.107 -21.336 1.0 15.25 ? 196 A 1 -ATOM 3550 H HB1 . ALA A1 1 206 ? -6.247 22.841 -22.322 1.0 18.41 ? 196 A 1 -ATOM 3551 H HB2 . ALA A1 1 206 ? -6.884 24.045 -21.503 1.0 18.41 ? 196 A 1 -ATOM 3552 H HB3 . ALA A1 1 206 ? -5.636 23.256 -20.916 1.0 18.41 ? 196 A 1 -ATOM 3553 N N . GLY A1 1 207 ? -5.891 20.363 -21.401 1.0 13.18 ? 197 A 1 -ATOM 3554 C CA . GLY A1 1 207 ? -5.284 19.054 -21.279 1.0 13.84 ? 197 A 1 -ATOM 3555 C C . GLY A1 1 207 ? -5.395 18.274 -22.563 1.0 13.37 ? 197 A 1 -ATOM 3556 O O . GLY A1 1 207 ? -6.34 18.419 -23.315 1.0 15.46 ? 197 A 1 -ATOM 3557 H H . GLY A1 1 207 ? -5.606 20.811 -22.077 1.0 15.81 ? 197 A 1 -ATOM 3558 H HA2 . GLY A1 1 207 ? -4.344 19.151 -21.056 1.0 16.61 ? 197 A 1 -ATOM 3559 H HA3 . GLY A1 1 207 ? -5.725 18.555 -20.574 1.0 16.61 ? 197 A 1 -ATOM 3560 N N . SER A1 1 208 ? -4.47 17.379 -22.75 1.0 15.08 ? 198 A 1 -ATOM 3561 C CA . SER A1 1 208 ? -4.345 16.634 -24.009 1.0 16.12 ? 198 A 1 -ATOM 3562 C C . SER A1 1 208 ? -4.596 15.147 -23.81 1.0 13.43 ? 198 A 1 -ATOM 3563 O O . SER A1 1 208 ? -4.648 14.602 -22.686 1.0 15.02 ? 198 A 1 -ATOM 3564 C CB . SER A1 1 208 ? -2.972 16.891 -24.642 1.0 18.92 ? 198 A 1 -ATOM 3565 O OG . SER A1 1 208 ? -1.98 16.674 -23.62 1.0 21.07 ? 198 A 1 -ATOM 3566 H H . SER A1 1 208 ? -3.88 17.167 -22.161 1.0 18.09 ? 198 A 1 -ATOM 3567 H HA . SER A1 1 208 ? -5.032 16.937 -24.623 1.0 19.34 ? 198 A 1 -ATOM 3568 H HB2 . SER A1 1 208 ? -2.827 16.274 -25.377 1.0 22.7 ? 198 A 1 -ATOM 3569 H HB3 . SER A1 1 208 ? -2.922 17.805 -24.962 1.0 22.7 ? 198 A 1 -ATOM 3570 H HG . SER A1 1 208 ? -2.013 15.879 -23.351 1.0 25.29 ? 198 A 1 -ATOM 3571 N N . MET A1 1 209 ? -4.717 14.464 -24.941 1.0 13.63 ? 199 A 1 -ATOM 3572 C CA . MET A1 1 209 ? -4.597 13.01 -24.998 1.0 14.49 ? 199 A 1 -ATOM 3573 C C . MET A1 1 209 ? -3.187 12.678 -25.402 1.0 14.29 ? 199 A 1 -ATOM 3574 O O . MET A1 1 209 ? -2.531 13.449 -26.136 1.0 15.85 ? 199 A 1 -ATOM 3575 C CB . MET A1 1 209 ? -5.598 12.377 -25.989 1.0 16.11 ? 199 A 1 -ATOM 3576 C CG . MET A1 1 209 ? -7.013 12.374 -25.503 1.0 15.5 ? 199 A 1 -ATOM 3577 S SD . MET A1 1 209 ? -8.188 11.771 -26.729 1.0 17.22 ? 199 A 1 -ATOM 3578 C CE . MET A1 1 209 ? -8.315 13.214 -27.726 1.0 17.48 ? 199 A 1 -ATOM 3579 H H . MET A1 1 209 ? -4.872 14.827 -25.705 1.0 16.36 ? 199 A 1 -ATOM 3580 H HA . MET A1 1 209 ? -4.807 12.629 -24.131 1.0 17.39 ? 199 A 1 -ATOM 3581 H HB2 . MET A1 1 209 ? -5.571 12.877 -26.82 1.0 19.34 ? 199 A 1 -ATOM 3582 H HB3 . MET A1 1 209 ? -5.338 11.456 -26.148 1.0 19.34 ? 199 A 1 -ATOM 3583 H HG2 . MET A1 1 209 ? -7.076 11.8 -24.723 1.0 18.61 ? 199 A 1 -ATOM 3584 H HG3 . MET A1 1 209 ? -7.266 13.28 -25.269 1.0 18.61 ? 199 A 1 -ATOM 3585 H HE1 . MET A1 1 209 ? -8.875 13.018 -28.494 1.0 20.98 ? 199 A 1 -ATOM 3586 H HE2 . MET A1 1 209 ? -8.711 13.927 -27.201 1.0 20.98 ? 199 A 1 -ATOM 3587 H HE3 . MET A1 1 209 ? -7.429 13.473 -28.021 1.0 20.98 ? 199 A 1 -ATOM 3588 N N . VAL A1 1 210 ? -2.674 11.574 -24.884 1.0 13.42 ? 200 A 1 -ATOM 3589 C CA . VAL A1 1 210 ? -1.325 11.098 -25.158 1.0 13.8 ? 200 A 1 -ATOM 3590 C C . VAL A1 1 210 ? -1.39 9.827 -25.962 1.0 14.42 ? 200 A 1 -ATOM 3591 O O . VAL A1 1 210 ? -2.121 8.9 -25.63 1.0 15.0 ? 200 A 1 -ATOM 3592 C CB . VAL A1 1 210 ? -0.574 10.874 -23.829 1.0 14.42 ? 200 A 1 -ATOM 3593 C CG1 . VAL A1 1 210 ? 0.78 10.27 -24.078 1.0 17.25 ? 200 A 1 -ATOM 3594 C CG2 . VAL A1 1 210 ? -0.532 12.124 -23.063 1.0 15.93 ? 200 A 1 -ATOM 3595 H H . VAL A1 1 210 ? -3.106 11.059 -24.347 1.0 16.11 ? 200 A 1 -ATOM 3596 H HA . VAL A1 1 210 ? -0.852 11.749 -25.7 1.0 16.56 ? 200 A 1 -ATOM 3597 H HB . VAL A1 1 210 ? -1.048 10.231 -23.279 1.0 17.3 ? 200 A 1 -ATOM 3598 H HG11 . VAL A1 1 210 ? 1.324 10.375 -23.282 1.0 20.7 ? 200 A 1 -ATOM 3599 H HG12 . VAL A1 1 210 ? 0.673 9.327 -24.282 1.0 20.7 ? 200 A 1 -ATOM 3600 H HG13 . VAL A1 1 210 ? 1.197 10.725 -24.826 1.0 20.7 ? 200 A 1 -ATOM 3601 H HG21 . VAL A1 1 210 ? 0.012 11.991 -22.271 1.0 19.11 ? 200 A 1 -ATOM 3602 H HG22 . VAL A1 1 210 ? -0.145 12.821 -23.616 1.0 19.11 ? 200 A 1 -ATOM 3603 H HG23 . VAL A1 1 210 ? -1.435 12.368 -22.807 1.0 19.11 ? 200 A 1 -ATOM 3604 N N . GLY A1 1 211 ? -0.669 9.813 -27.082 1.0 15.39 ? 201 A 1 -ATOM 3605 C CA . GLY A1 1 211 ? -0.647 8.658 -27.962 1.0 15.42 ? 201 A 1 -ATOM 3606 C C . GLY A1 1 211 ? -1.602 8.718 -29.106 1.0 15.63 ? 201 A 1 -ATOM 3607 O O . GLY A1 1 211 ? -1.87 7.683 -29.719 1.0 16.86 ? 201 A 1 -ATOM 3608 H H . GLY A1 1 211 ? -0.181 10.467 -27.352 1.0 18.46 ? 201 A 1 -ATOM 3609 H HA2 . GLY A1 1 211 ? 0.246 8.564 -28.327 1.0 18.51 ? 201 A 1 -ATOM 3610 H HA3 . GLY A1 1 211 ? -0.86 7.868 -27.441 1.0 18.51 ? 201 A 1 -ATOM 3611 N N . LEU A1 1 212 ? -2.085 9.891 -29.454 1.0 15.86 ? 202 A 1 -ATOM 3612 C CA . LEU A1 1 212 ? -2.93 10.023 -30.638 1.0 15.93 ? 202 A 1 -ATOM 3613 C C . LEU A1 1 212 ? -2.153 9.617 -31.875 1.0 17.2 ? 202 A 1 -ATOM 3614 O O . LEU A1 1 212 ? -0.945 9.792 -31.952 1.0 17.52 ? 202 A 1 -ATOM 3615 C CB . LEU A1 1 212 ? -3.433 11.467 -30.789 1.0 16.81 ? 202 A 1 -ATOM 3616 C CG . LEU A1 1 212 ? -4.432 11.918 -29.735 1.0 15.41 ? 202 A 1 -ATOM 3617 C CD1 . LEU A1 1 212 ? -4.528 13.427 -29.764 1.0 16.92 ? 202 A 1 -ATOM 3618 C CD2 . LEU A1 1 212 ? -5.746 11.317 -30.009 1.0 17.18 ? 202 A 1 -ATOM 3619 H H . LEU A1 1 212 ? -1.945 10.626 -29.03 1.0 19.04 ? 202 A 1 -ATOM 3620 H HA . LEU A1 1 212 ? -3.703 9.443 -30.549 1.0 19.11 ? 202 A 1 -ATOM 3621 H HB2 . LEU A1 1 212 ? -2.669 12.063 -30.74 1.0 20.18 ? 202 A 1 -ATOM 3622 H HB3 . LEU A1 1 212 ? -3.864 11.551 -31.654 1.0 20.18 ? 202 A 1 -ATOM 3623 H HG . LEU A1 1 212 ? -4.146 11.636 -28.852 1.0 18.5 ? 202 A 1 -ATOM 3624 H HD11 . LEU A1 1 212 ? -5.166 13.715 -29.092 1.0 20.31 ? 202 A 1 -ATOM 3625 H HD12 . LEU A1 1 212 ? -3.654 13.802 -29.573 1.0 20.31 ? 202 A 1 -ATOM 3626 H HD13 . LEU A1 1 212 ? -4.824 13.707 -30.644 1.0 20.31 ? 202 A 1 -ATOM 3627 H HD21 . LEU A1 1 212 ? -6.384 11.642 -29.355 1.0 20.61 ? 202 A 1 -ATOM 3628 H HD22 . LEU A1 1 212 ? -6.028 11.57 -30.902 1.0 20.61 ? 202 A 1 -ATOM 3629 H HD23 . LEU A1 1 212 ? -5.671 10.352 -29.947 1.0 20.61 ? 202 A 1 -ATOM 3630 N N . PRO A1 1 213 ? -2.842 9.103 -32.895 1.0 18.01 ? 203 A 1 -ATOM 3631 C CA . PRO A1 1 213 ? -2.145 8.763 -34.147 1.0 18.71 ? 203 A 1 -ATOM 3632 C C . PRO A1 1 213 ? -1.521 10.012 -34.762 1.0 19.41 ? 203 A 1 -ATOM 3633 O O . PRO A1 1 213 ? -2.157 11.078 -34.766 1.0 24.53 ? 203 A 1 -ATOM 3634 C CB . PRO A1 1 213 ? -3.265 8.22 -35.043 1.0 23.31 ? 203 A 1 -ATOM 3635 C CG . PRO A1 1 213 ? -4.389 8.13 -34.291 1.0 24.34 ? 203 A 1 -ATOM 3636 C CD . PRO A1 1 213 ? -4.27 8.833 -32.964 1.0 20.27 ? 203 A 1 -ATOM 3637 H HA . PRO A1 1 213 ? -1.474 8.079 -33.997 1.0 22.45 ? 203 A 1 -ATOM 3638 H HB2 . PRO A1 1 213 ? -3.403 8.829 -35.785 1.0 27.98 ? 203 A 1 -ATOM 3639 H HB3 . PRO A1 1 213 ? -3.01 7.345 -35.375 1.0 27.98 ? 203 A 1 -ATOM 3640 H HG2 . PRO A1 1 213 ? -5.116 8.527 -34.796 1.0 29.21 ? 203 A 1 -ATOM 3641 H HG3 . PRO A1 1 213 ? -4.568 7.189 -34.136 1.0 29.21 ? 203 A 1 -ATOM 3642 H HD2 . PRO A1 1 213 ? -4.783 9.656 -32.957 1.0 24.33 ? 203 A 1 -ATOM 3643 H HD3 . PRO A1 1 213 ? -4.554 8.258 -32.236 1.0 24.33 ? 203 A 1 -ATOM 3644 N N . GLY A1 1 214 ? -0.286 9.899 -35.145 1.0 21.5 ? 204 A 1 -ATOM 3645 C CA . GLY A1 1 214 ? 0.464 10.995 -35.737 1.0 24.62 ? 204 A 1 -ATOM 3646 C C . GLY A1 1 214 ? 1.11 11.939 -34.735 1.0 25.01 ? 204 A 1 -ATOM 3647 O O . GLY A1 1 214 ? 1.816 12.865 -35.141 1.0 28.2 ? 204 A 1 -ATOM 3648 H H . GLY A1 1 214 ? 0.171 9.174 -35.075 1.0 25.8 ? 204 A 1 -ATOM 3649 H HA2 . GLY A1 1 214 ? 1.168 10.626 -36.293 1.0 29.54 ? 204 A 1 -ATOM 3650 H HA3 . GLY A1 1 214 ? -0.136 11.518 -36.293 1.0 29.54 ? 204 A 1 -ATOM 3651 N N . GLN A1 1 215 ? 0.916 11.741 -33.437 1.0 19.85 ? 205 A 1 -ATOM 3652 C CA . GLN A1 1 215 ? 1.454 12.626 -32.436 1.0 21.81 ? 205 A 1 -ATOM 3653 C C . GLN A1 1 215 ? 2.831 12.117 -32.048 1.0 19.64 ? 205 A 1 -ATOM 3654 O O . GLN A1 1 215 ? 3.017 10.922 -31.807 1.0 23.67 ? 205 A 1 -ATOM 3655 C CB . GLN A1 1 215 ? 0.516 12.546 -31.242 1.0 19.04 ? 205 A 1 -ATOM 3656 C CG . GLN A1 1 215 ? 0.821 13.484 -30.093 1.0 17.29 ? 205 A 1 -ATOM 3657 C CD . GLN A1 1 215 ? -0.148 13.252 -28.966 1.0 17.7 ? 205 A 1 -ATOM 3658 O OE1 . GLN A1 1 215 ? -0.28 12.107 -28.552 1.0 19.51 ? 205 A 1 -ATOM 3659 N NE2 . GLN A1 1 215 ? -0.811 14.267 -28.518 1.0 16.52 ? 205 A 1 -ATOM 3660 H H . GLN A1 1 215 ? 0.465 11.085 -33.112 1.0 23.82 ? 205 A 1 -ATOM 3661 H HA . GLN A1 1 215 ? 1.539 13.543 -32.739 1.0 26.17 ? 205 A 1 -ATOM 3662 H HB2 . GLN A1 1 215 ? -0.381 12.749 -31.547 1.0 22.85 ? 205 A 1 -ATOM 3663 H HB3 . GLN A1 1 215 ? 0.55 11.642 -30.89 1.0 22.85 ? 205 A 1 -ATOM 3664 H HG2 . GLN A1 1 215 ? 1.72 13.321 -29.769 1.0 20.75 ? 205 A 1 -ATOM 3665 H HG3 . GLN A1 1 215 ? 0.736 14.403 -30.391 1.0 20.75 ? 205 A 1 -ATOM 3666 H HE21 . GLN A1 1 215 ? -0.692 15.046 -28.864 1.0 19.83 ? 205 A 1 -ATOM 3667 H HE22 . GLN A1 1 215 ? -1.372 14.164 -27.874 1.0 19.83 ? 205 A 1 -ATOM 3668 N N . THR A1 1 216 ? 3.796 13.019 -31.926 1.0 17.89 ? 206 A 1 -ATOM 3669 C CA . THR A1 1 216 ? 5.172 12.704 -31.564 1.0 19.41 ? 206 A 1 -ATOM 3670 C C . THR A1 1 216 ? 5.558 13.291 -30.207 1.0 18.6 ? 206 A 1 -ATOM 3671 O O . THR A1 1 216 ? 4.801 14.067 -29.57 1.0 17.52 ? 206 A 1 -ATOM 3672 C CB . THR A1 1 216 ? 6.152 13.315 -32.597 1.0 19.84 ? 206 A 1 -ATOM 3673 O OG1 . THR A1 1 216 ? 6.036 14.73 -32.489 1.0 21.87 ? 206 A 1 -ATOM 3674 C CG2 . THR A1 1 216 ? 5.783 12.888 -33.999 1.0 23.91 ? 206 A 1 -ATOM 3675 H H . THR A1 1 216 ? 3.673 13.861 -32.054 1.0 21.47 ? 206 A 1 -ATOM 3676 H HA . THR A1 1 216 ? 5.239 11.737 -31.529 1.0 23.29 ? 206 A 1 -ATOM 3677 H HB . THR A1 1 216 ? 7.062 13.021 -32.432 1.0 23.81 ? 206 A 1 -ATOM 3678 H HG1 . THR A1 1 216 ? 6.552 15.103 -33.037 1.0 26.25 ? 206 A 1 -ATOM 3679 H HG21 . THR A1 1 216 ? 6.458 13.191 -34.626 1.0 28.7 ? 206 A 1 -ATOM 3680 H HG22 . THR A1 1 216 ? 5.722 11.921 -34.046 1.0 28.7 ? 206 A 1 -ATOM 3681 H HG23 . THR A1 1 216 ? 4.928 13.271 -34.248 1.0 28.7 ? 206 A 1 -ATOM 3682 N N . ILE A1 1 217 ? 6.769 12.948 -29.753 1.0 20.29 ? 207 A 1 -ATOM 3683 C CA . ILE A1 1 217 ? 7.247 13.531 -28.511 1.0 18.86 ? 207 A 1 -ATOM 3684 C C . ILE A1 1 217 ? 7.343 15.026 -28.63 1.0 18.74 ? 207 A 1 -ATOM 3685 O O . ILE A1 1 217 ? 7.032 15.75 -27.686 1.0 17.73 ? 207 A 1 -ATOM 3686 C CB . ILE A1 1 217 ? 8.599 12.917 -28.079 1.0 22.03 ? 207 A 1 -ATOM 3687 C CG1 . ILE A1 1 217 ? 8.438 11.431 -27.837 1.0 28.02 ? 207 A 1 -ATOM 3688 C CG2 . ILE A1 1 217 ? 9.187 13.653 -26.906 1.0 22.21 ? 207 A 1 -ATOM 3689 C CD1 . ILE A1 1 217 ? 7.691 11.12 -26.603 1.0 31.06 ? 207 A 1 -ATOM 3690 H H . ILE A1 1 217 ? 7.309 12.399 -30.136 1.0 24.34 ? 207 A 1 -ATOM 3691 H HA . ILE A1 1 217 ? 6.597 13.318 -27.823 1.0 22.63 ? 207 A 1 -ATOM 3692 H HB . ILE A1 1 217 ? 9.238 13.021 -28.801 1.0 26.43 ? 207 A 1 -ATOM 3693 H HG12 . ILE A1 1 217 ? 7.957 11.042 -28.584 1.0 33.62 ? 207 A 1 -ATOM 3694 H HG13 . ILE A1 1 217 ? 9.317 11.028 -27.763 1.0 33.62 ? 207 A 1 -ATOM 3695 H HG21 . ILE A1 1 217 ? 9.891 13.112 -26.514 1.0 26.65 ? 207 A 1 -ATOM 3696 H HG22 . ILE A1 1 217 ? 9.551 14.498 -27.213 1.0 26.65 ? 207 A 1 -ATOM 3697 H HG23 . ILE A1 1 217 ? 8.489 13.812 -26.251 1.0 26.65 ? 207 A 1 -ATOM 3698 H HD11 . ILE A1 1 217 ? 7.591 10.158 -26.529 1.0 37.27 ? 207 A 1 -ATOM 3699 H HD12 . ILE A1 1 217 ? 8.184 11.462 -25.841 1.0 37.27 ? 207 A 1 -ATOM 3700 H HD13 . ILE A1 1 217 ? 6.818 11.541 -26.648 1.0 37.27 ? 207 A 1 -ATOM 3701 N N . ASP A1 1 218 ? 7.74 15.539 -29.798 1.0 18.49 ? 208 A 1 -ATOM 3702 C CA . ASP A1 1 218 ? 7.784 16.984 -29.94 1.0 18.79 ? 208 A 1 -ATOM 3703 C C . ASP A1 1 218 ? 6.399 17.609 -29.778 1.0 17.21 ? 208 A 1 -ATOM 3704 O O . ASP A1 1 218 ? 6.275 18.715 -29.218 1.0 17.07 ? 208 A 1 -ATOM 3705 C CB . ASP A1 1 218 ? 8.322 17.379 -31.336 1.0 20.3 ? 208 A 1 -ATOM 3706 C CG . ASP A1 1 218 ? 9.781 17.134 -31.495 1.0 31.72 ? 208 A 1 -ATOM 3707 O OD1 . ASP A1 1 218 ? 10.521 17.373 -30.557 1.0 31.36 ? 208 A 1 -ATOM 3708 O OD2 . ASP A1 1 218 ? 10.193 16.743 -32.611 1.0 47.86 ? 208 A 1 -ATOM 3709 H H . ASP A1 1 218 ? 7.977 15.087 -30.49 1.0 22.19 ? 208 A 1 -ATOM 3710 H HA . ASP A1 1 218 ? 8.382 17.326 -29.258 1.0 22.55 ? 208 A 1 -ATOM 3711 H HB2 . ASP A1 1 218 ? 7.857 16.858 -32.01 1.0 24.36 ? 208 A 1 -ATOM 3712 H HB3 . ASP A1 1 218 ? 8.161 18.325 -31.479 1.0 24.36 ? 208 A 1 -ATOM 3713 N N . ASP A1 1 219 ? 5.351 16.922 -30.217 1.0 15.88 ? 209 A 1 -ATOM 3714 C CA . ASP A1 1 219 ? 4.009 17.43 -30.007 1.0 16.11 ? 209 A 1 -ATOM 3715 C C . ASP A1 1 219 ? 3.649 17.44 -28.53 1.0 15.88 ? 209 A 1 -ATOM 3716 O O . ASP A1 1 219 ? 3.008 18.377 -28.061 1.0 15.52 ? 209 A 1 -ATOM 3717 C CB . ASP A1 1 219 ? 2.988 16.569 -30.727 1.0 17.01 ? 209 A 1 -ATOM 3718 C CG . ASP A1 1 219 ? 3.073 16.668 -32.248 1.0 18.02 ? 209 A 1 -ATOM 3719 O OD1 . ASP A1 1 219 ? 3.235 17.797 -32.796 1.0 18.82 ? 209 A 1 -ATOM 3720 O OD2 . ASP A1 1 219 ? 2.942 15.597 -32.893 1.0 20.38 ? 209 A 1 -ATOM 3721 H H . ASP A1 1 219 ? 5.391 16.17 -30.632 1.0 19.05 ? 209 A 1 -ATOM 3722 H HA . ASP A1 1 219 ? 3.981 18.331 -30.366 1.0 19.33 ? 209 A 1 -ATOM 3723 H HB2 . ASP A1 1 219 ? 3.131 15.642 -30.481 1.0 20.41 ? 209 A 1 -ATOM 3724 H HB3 . ASP A1 1 219 ? 2.098 16.849 -30.461 1.0 20.41 ? 209 A 1 -ATOM 3725 N N . LEU A1 1 220 ? 4.067 16.413 -27.767 1.0 14.86 ? 210 A 1 -ATOM 3726 C CA . LEU A1 1 220 ? 3.791 16.378 -26.327 1.0 14.57 ? 210 A 1 -ATOM 3727 C C . LEU A1 1 220 ? 4.491 17.523 -25.622 1.0 15.85 ? 210 A 1 -ATOM 3728 O O . LEU A1 1 220 ? 3.938 18.126 -24.712 1.0 15.36 ? 210 A 1 -ATOM 3729 C CB . LEU A1 1 220 ? 4.256 15.056 -25.735 1.0 16.21 ? 210 A 1 -ATOM 3730 C CG . LEU A1 1 220 ? 3.616 13.771 -26.256 1.0 25.88 ? 210 A 1 -ATOM 3731 C CD1 . LEU A1 1 220 ? 4.03 12.634 -25.333 1.0 24.9 ? 210 A 1 -ATOM 3732 C CD2 . LEU A1 1 220 ? 2.175 13.803 -26.438 1.0 29.39 ? 210 A 1 -ATOM 3733 H H . LEU A1 1 220 ? 4.507 15.734 -28.059 1.0 17.83 ? 210 A 1 -ATOM 3734 H HA . LEU A1 1 220 ? 2.834 16.457 -26.19 1.0 17.49 ? 210 A 1 -ATOM 3735 H HB2 . LEU A1 1 220 ? 5.209 14.979 -25.899 1.0 19.45 ? 210 A 1 -ATOM 3736 H HB3 . LEU A1 1 220 ? 4.085 15.084 -24.78 1.0 19.45 ? 210 A 1 -ATOM 3737 H HG . LEU A1 1 220 ? 3.941 13.634 -27.159 1.0 31.05 ? 210 A 1 -ATOM 3738 H HD11 . LEU A1 1 220 ? 3.618 11.812 -25.641 1.0 29.88 ? 210 A 1 -ATOM 3739 H HD12 . LEU A1 1 220 ? 4.996 12.548 -25.352 1.0 29.88 ? 210 A 1 -ATOM 3740 H HD13 . LEU A1 1 220 ? 3.734 12.835 -24.431 1.0 29.88 ? 210 A 1 -ATOM 3741 H HD21 . LEU A1 1 220 ? 1.878 12.937 -26.759 1.0 35.27 ? 210 A 1 -ATOM 3742 H HD22 . LEU A1 1 220 ? 1.753 14.003 -25.588 1.0 35.27 ? 210 A 1 -ATOM 3743 H HD23 . LEU A1 1 220 ? 1.954 14.489 -27.087 1.0 35.27 ? 210 A 1 -ATOM 3744 N N . VAL A1 1 221 ? 5.715 17.857 -26.049 1.0 15.18 ? 211 A 1 -ATOM 3745 C CA . VAL A1 1 221 ? 6.401 19.006 -25.5 1.0 15.63 ? 211 A 1 -ATOM 3746 C C . VAL A1 1 221 ? 5.625 20.286 -25.784 1.0 15.36 ? 211 A 1 -ATOM 3747 O O . VAL A1 1 221 ? 5.474 21.155 -24.909 1.0 16.51 ? 211 A 1 -ATOM 3748 C CB . VAL A1 1 221 ? 7.838 19.099 -26.046 1.0 18.02 ? 211 A 1 -ATOM 3749 C CG1 . VAL A1 1 221 ? 8.46 20.404 -25.59 1.0 19.99 ? 211 A 1 -ATOM 3750 C CG2 . VAL A1 1 221 ? 8.652 17.896 -25.589 1.0 18.07 ? 211 A 1 -ATOM 3751 H H . VAL A1 1 221 ? 6.158 17.431 -26.651 1.0 18.22 ? 211 A 1 -ATOM 3752 H HA . VAL A1 1 221 ? 6.45 18.887 -24.539 1.0 18.75 ? 211 A 1 -ATOM 3753 H HB . VAL A1 1 221 ? 7.834 19.089 -27.016 1.0 21.62 ? 211 A 1 -ATOM 3754 H HG11 . VAL A1 1 221 ? 9.426 20.329 -25.64 1.0 23.99 ? 211 A 1 -ATOM 3755 H HG12 . VAL A1 1 221 ? 8.153 21.119 -26.169 1.0 23.99 ? 211 A 1 -ATOM 3756 H HG13 . VAL A1 1 221 ? 8.189 20.581 -24.675 1.0 23.99 ? 211 A 1 -ATOM 3757 H HG21 . VAL A1 1 221 ? 9.558 17.981 -25.926 1.0 21.69 ? 211 A 1 -ATOM 3758 H HG22 . VAL A1 1 221 ? 8.661 17.87 -24.619 1.0 21.69 ? 211 A 1 -ATOM 3759 H HG23 . VAL A1 1 221 ? 8.244 17.088 -25.938 1.0 21.69 ? 211 A 1 -ATOM 3760 N N . ASP A1 1 222 ? 5.091 20.428 -27.008 1.0 15.65 ? 212 A 1 -ATOM 3761 C CA . ASP A1 1 222 ? 4.291 21.593 -27.323 1.0 15.52 ? 212 A 1 -ATOM 3762 C C . ASP A1 1 222 ? 3.033 21.633 -26.432 1.0 14.99 ? 212 A 1 -ATOM 3763 O O . ASP A1 1 222 ? 2.587 22.733 -26.065 1.0 15.71 ? 212 A 1 -ATOM 3764 C CB . ASP A1 1 222 ? 3.887 21.535 -28.81 1.0 15.72 ? 212 A 1 -ATOM 3765 C CG . ASP A1 1 222 ? 4.976 21.954 -29.763 1.0 19.01 ? 212 A 1 -ATOM 3766 O OD1 . ASP A1 1 222 ? 5.881 22.699 -29.347 1.0 21.66 ? 212 A 1 -ATOM 3767 O OD2 . ASP A1 1 222 ? 4.874 21.561 -30.959 1.0 19.04 ? 212 A 1 -ATOM 3768 H H . ASP A1 1 222 ? 5.183 19.869 -27.655 1.0 18.78 ? 212 A 1 -ATOM 3769 H HA . ASP A1 1 222 ? 4.804 22.402 -27.17 1.0 18.63 ? 212 A 1 -ATOM 3770 H HB2 . ASP A1 1 222 ? 3.64 20.624 -29.029 1.0 18.86 ? 212 A 1 -ATOM 3771 H HB3 . ASP A1 1 222 ? 3.131 22.127 -28.949 1.0 18.86 ? 212 A 1 -ATOM 3772 N N . ASP A1 1 223 ? 2.41 20.484 -26.148 1.0 15.39 ? 213 A 1 -ATOM 3773 C CA . ASP A1 1 223 ? 1.277 20.448 -25.201 1.0 14.05 ? 213 A 1 -ATOM 3774 C C . ASP A1 1 223 ? 1.682 20.997 -23.837 1.0 15.22 ? 213 A 1 -ATOM 3775 O O . ASP A1 1 223 ? 0.98 21.832 -23.271 1.0 15.47 ? 213 A 1 -ATOM 3776 C CB . ASP A1 1 223 ? 0.745 19.03 -25.051 1.0 14.44 ? 213 A 1 -ATOM 3777 C CG . ASP A1 1 223 ? -0.07 18.544 -26.238 1.0 15.38 ? 213 A 1 -ATOM 3778 O OD1 . ASP A1 1 223 ? -0.875 19.341 -26.781 1.0 15.21 ? 213 A 1 -ATOM 3779 O OD2 . ASP A1 1 223 ? 0.103 17.334 -26.595 1.0 16.66 ? 213 A 1 -ATOM 3780 H H . ASP A1 1 223 ? 2.617 19.719 -26.482 1.0 18.47 ? 213 A 1 -ATOM 3781 H HA . ASP A1 1 223 ? 0.567 21.001 -25.563 1.0 16.86 ? 213 A 1 -ATOM 3782 H HB2 . ASP A1 1 223 ? 1.496 18.426 -24.942 1.0 17.33 ? 213 A 1 -ATOM 3783 H HB3 . ASP A1 1 223 ? 0.174 18.994 -24.267 1.0 17.33 ? 213 A 1 -ATOM 3784 N N . LEU A1 1 224 ? 2.829 20.544 -23.318 1.0 15.0 ? 214 A 1 -ATOM 3785 C CA . LEU A1 1 224 ? 3.287 21.019 -22.007 1.0 14.61 ? 214 A 1 -ATOM 3786 C C . LEU A1 1 224 ? 3.508 22.518 -22.036 1.0 16.15 ? 214 A 1 -ATOM 3787 O O . LEU A1 1 224 ? 3.131 23.231 -21.104 1.0 16.08 ? 214 A 1 -ATOM 3788 C CB . LEU A1 1 224 ? 4.57 20.315 -21.589 1.0 16.27 ? 214 A 1 -ATOM 3789 C CG . LEU A1 1 224 ? 4.415 18.836 -21.284 1.0 15.0 ? 214 A 1 -ATOM 3790 C CD1 . LEU A1 1 224 ? 5.812 18.257 -21.004 1.0 17.45 ? 214 A 1 -ATOM 3791 C CD2 . LEU A1 1 224 ? 3.477 18.615 -20.072 1.0 16.27 ? 214 A 1 -ATOM 3792 H H . LEU A1 1 224 ? 3.35 19.974 -23.696 1.0 18.0 ? 214 A 1 -ATOM 3793 H HA . LEU A1 1 224 ? 2.606 20.806 -21.351 1.0 17.54 ? 214 A 1 -ATOM 3794 H HB2 . LEU A1 1 224 ? 5.215 20.399 -22.308 1.0 19.52 ? 214 A 1 -ATOM 3795 H HB3 . LEU A1 1 224 ? 4.909 20.745 -20.787 1.0 19.52 ? 214 A 1 -ATOM 3796 H HG . LEU A1 1 224 ? 4.013 18.377 -22.038 1.0 18.01 ? 214 A 1 -ATOM 3797 H HD11 . LEU A1 1 224 ? 5.727 17.313 -20.796 1.0 20.94 ? 214 A 1 -ATOM 3798 H HD12 . LEU A1 1 224 ? 6.366 18.373 -21.792 1.0 20.94 ? 214 A 1 -ATOM 3799 H HD13 . LEU A1 1 224 ? 6.204 18.727 -20.252 1.0 20.94 ? 214 A 1 -ATOM 3800 H HD21 . LEU A1 1 224 ? 3.501 17.678 -19.822 1.0 19.53 ? 214 A 1 -ATOM 3801 H HD22 . LEU A1 1 224 ? 3.783 19.162 -19.332 1.0 19.53 ? 214 A 1 -ATOM 3802 H HD23 . LEU A1 1 224 ? 2.575 18.868 -20.32 1.0 19.53 ? 214 A 1 -ATOM 3803 N N . LEU A1 1 225 ? 4.166 23.031 -23.08 1.0 15.41 ? 215 A 1 -ATOM 3804 C CA . LEU A1 1 225 ? 4.442 24.456 -23.145 1.0 17.79 ? 215 A 1 -ATOM 3805 C C . LEU A1 1 225 ? 3.184 25.271 -23.343 1.0 15.83 ? 215 A 1 -ATOM 3806 O O . LEU A1 1 225 ? 3.113 26.406 -22.848 1.0 18.32 ? 215 A 1 -ATOM 3807 C CB . LEU A1 1 225 ? 5.495 24.738 -24.221 1.0 17.91 ? 215 A 1 -ATOM 3808 C CG . LEU A1 1 225 ? 6.84 24.135 -23.881 1.0 21.55 ? 215 A 1 -ATOM 3809 C CD1 . LEU A1 1 225 ? 7.767 24.246 -25.09 1.0 28.55 ? 215 A 1 -ATOM 3810 C CD2 . LEU A1 1 225 ? 7.406 24.843 -22.665 1.0 27.88 ? 215 A 1 -ATOM 3811 H H . LEU A1 1 225 ? 4.457 22.578 -23.751 1.0 18.49 ? 215 A 1 -ATOM 3812 H HA . LEU A1 1 225 ? 4.821 24.746 -22.301 1.0 21.35 ? 215 A 1 -ATOM 3813 H HB2 . LEU A1 1 225 ? 5.197 24.359 -25.062 1.0 21.5 ? 215 A 1 -ATOM 3814 H HB3 . LEU A1 1 225 ? 5.607 25.697 -24.31 1.0 21.5 ? 215 A 1 -ATOM 3815 H HG . LEU A1 1 225 ? 6.758 23.192 -23.665 1.0 25.86 ? 215 A 1 -ATOM 3816 H HD11 . LEU A1 1 225 ? 8.629 23.864 -24.864 1.0 34.26 ? 215 A 1 -ATOM 3817 H HD12 . LEU A1 1 225 ? 7.375 23.762 -25.834 1.0 34.26 ? 215 A 1 -ATOM 3818 H HD13 . LEU A1 1 225 ? 7.871 25.182 -25.323 1.0 34.26 ? 215 A 1 -ATOM 3819 H HD21 . LEU A1 1 225 ? 8.362 24.684 -22.623 1.0 33.45 ? 215 A 1 -ATOM 3820 H HD22 . LEU A1 1 225 ? 7.232 25.794 -22.743 1.0 33.45 ? 215 A 1 -ATOM 3821 H HD23 . LEU A1 1 225 ? 6.978 24.493 -21.868 1.0 33.45 ? 215 A 1 -ATOM 3822 N N . PHE A1 1 226 ? 2.196 24.737 -24.053 1.0 15.59 ? 216 A 1 -ATOM 3823 C CA . PHE A1 1 226 ? 0.9 25.4 -24.185 1.0 16.73 ? 216 A 1 -ATOM 3824 C C . PHE A1 1 226 ? 0.239 25.532 -22.823 1.0 14.95 ? 216 A 1 -ATOM 3825 O O . PHE A1 1 226 ? -0.302 26.59 -22.47 1.0 17.25 ? 216 A 1 -ATOM 3826 C CB . PHE A1 1 226 ? 0.043 24.604 -25.174 1.0 16.29 ? 216 A 1 -ATOM 3827 C CG . PHE A1 1 226 ? -1.39 25.04 -25.223 1.0 15.08 ? 216 A 1 -ATOM 3828 C CD1 . PHE A1 1 226 ? -1.751 26.185 -25.884 1.0 16.88 ? 216 A 1 -ATOM 3829 C CD2 . PHE A1 1 226 ? -2.373 24.299 -24.606 1.0 17.78 ? 216 A 1 -ATOM 3830 C CE1 . PHE A1 1 226 ? -3.058 26.573 -25.904 1.0 19.06 ? 216 A 1 -ATOM 3831 C CE2 . PHE A1 1 226 ? -3.685 24.735 -24.647 1.0 16.46 ? 216 A 1 -ATOM 3832 C CZ . PHE A1 1 226 ? -3.997 25.822 -25.326 1.0 17.05 ? 216 A 1 -ATOM 3833 H H . PHE A1 1 226 ? 2.247 23.987 -24.471 1.0 18.71 ? 216 A 1 -ATOM 3834 H HA . PHE A1 1 226 ? 1.003 26.297 -24.541 1.0 20.07 ? 216 A 1 -ATOM 3835 H HB2 . PHE A1 1 226 ? 0.415 24.709 -26.064 1.0 19.55 ? 216 A 1 -ATOM 3836 H HB3 . PHE A1 1 226 ? 0.059 23.669 -24.917 1.0 19.55 ? 216 A 1 -ATOM 3837 H HD1 . PHE A1 1 226 ? -1.107 26.695 -26.319 1.0 20.25 ? 216 A 1 -ATOM 3838 H HD2 . PHE A1 1 226 ? -2.156 23.509 -24.165 1.0 21.33 ? 216 A 1 -ATOM 3839 H HE1 . PHE A1 1 226 ? -3.297 27.368 -26.323 1.0 22.88 ? 216 A 1 -ATOM 3840 H HE2 . PHE A1 1 226 ? -4.346 24.263 -24.196 1.0 19.75 ? 216 A 1 -ATOM 3841 H HZ . PHE A1 1 226 ? -4.89 26.07 -25.404 1.0 20.46 ? 216 A 1 -ATOM 3842 N N . LEU A1 1 227 ? 0.254 24.456 -22.062 1.0 14.8 ? 217 A 1 -ATOM 3843 C CA . LEU A1 1 227 ? -0.379 24.471 -20.727 1.0 14.58 ? 217 A 1 -ATOM 3844 C C . LEU A1 1 227 ? 0.306 25.491 -19.841 1.0 17.19 ? 217 A 1 -ATOM 3845 O O . LEU A1 1 227 ? -0.361 26.266 -19.15 1.0 17.77 ? 217 A 1 -ATOM 3846 C CB . LEU A1 1 227 ? -0.323 23.072 -20.118 1.0 15.88 ? 217 A 1 -ATOM 3847 C CG . LEU A1 1 227 ? -1.108 22.028 -20.813 1.0 16.17 ? 217 A 1 -ATOM 3848 C CD1 . LEU A1 1 227 ? -0.757 20.637 -20.385 1.0 21.35 ? 217 A 1 -ATOM 3849 C CD2 . LEU A1 1 227 ? -2.61 22.29 -20.735 1.0 15.96 ? 217 A 1 -ATOM 3850 H H . LEU A1 1 227 ? 0.616 23.706 -22.278 1.0 17.76 ? 217 A 1 -ATOM 3851 H HA . LEU A1 1 227 ? -1.315 24.715 -20.8 1.0 17.49 ? 217 A 1 -ATOM 3852 H HB2 . LEU A1 1 227 ? 0.603 22.781 -20.116 1.0 19.05 ? 217 A 1 -ATOM 3853 H HB3 . LEU A1 1 227 ? -0.656 23.125 -19.209 1.0 19.05 ? 217 A 1 -ATOM 3854 H HG . LEU A1 1 227 ? -0.862 22.079 -21.75 1.0 19.4 ? 217 A 1 -ATOM 3855 H HD11 . LEU A1 1 227 ? -1.404 20.018 -20.759 1.0 25.63 ? 217 A 1 -ATOM 3856 H HD12 . LEU A1 1 227 ? 0.132 20.422 -20.708 1.0 25.63 ? 217 A 1 -ATOM 3857 H HD13 . LEU A1 1 227 ? -0.777 20.59 -19.416 1.0 25.63 ? 217 A 1 -ATOM 3858 H HD21 . LEU A1 1 227 ? -3.083 21.534 -21.117 1.0 19.15 ? 217 A 1 -ATOM 3859 H HD22 . LEU A1 1 227 ? -2.863 22.402 -19.805 1.0 19.15 ? 217 A 1 -ATOM 3860 H HD23 . LEU A1 1 227 ? -2.817 23.096 -21.233 1.0 19.15 ? 217 A 1 -ATOM 3861 N N . LYS A1 1 228 ? 1.626 25.51 -19.862 1.0 16.4 ? 218 A 1 -ATOM 3862 C CA . LYS A1 1 228 ? 2.392 26.465 -19.065 1.0 19.33 ? 218 A 1 -ATOM 3863 C C . LYS A1 1 228 ? 2.084 27.894 -19.464 1.0 20.68 ? 218 A 1 -ATOM 3864 O O . LYS A1 1 228 ? 1.922 28.769 -18.599 1.0 21.61 ? 218 A 1 -ATOM 3865 C CB . LYS A1 1 228 ? 3.885 26.137 -19.23 1.0 22.02 ? 218 A 1 -ATOM 3866 C CG . LYS A1 1 228 ? 4.874 27.049 -18.506 1.0 23.39 ? 218 A 1 -ATOM 3867 C CD . LYS A1 1 228 ? 4.733 26.957 -17.06 1.0 27.01 ? 218 A 1 -ATOM 3868 C CE . LYS A1 1 228 ? 5.954 27.565 -16.354 0.85 30.79 ? 218 A 1 -ATOM 3869 N NZ . LYS A1 1 228 ? 5.612 27.692 -14.936 0.39 18.29 ? 218 A 1 -ATOM 3870 H H . LYS A1 1 228 ? 2.112 24.978 -20.331 1.0 19.68 ? 218 A 1 -ATOM 3871 H HA . LYS A1 1 228 ? 2.158 26.387 -18.127 1.0 23.19 ? 218 A 1 -ATOM 3872 H HB2 . LYS A1 1 228 ? 4.033 25.238 -18.898 1.0 26.42 ? 218 A 1 -ATOM 3873 H HB3 . LYS A1 1 228 ? 4.099 26.181 -20.175 1.0 26.42 ? 218 A 1 -ATOM 3874 H HG2 . LYS A1 1 228 ? 5.779 26.789 -18.74 1.0 28.07 ? 218 A 1 -ATOM 3875 H HG3 . LYS A1 1 228 ? 4.714 27.968 -18.769 1.0 28.07 ? 218 A 1 -ATOM 3876 H HD2 . LYS A1 1 228 ? 3.942 27.443 -16.781 1.0 32.42 ? 218 A 1 -ATOM 3877 H HD3 . LYS A1 1 228 ? 4.659 26.025 -16.8 1.0 32.42 ? 218 A 1 -ATOM 3878 H HE2 . LYS A1 1 228 ? 6.724 26.984 -16.45 0.78 36.95 ? 218 A 1 -ATOM 3879 H HE3 . LYS A1 1 228 ? 6.153 28.442 -16.718 0.79 36.95 ? 218 A 1 -ATOM 3880 H HZ1 . LYS A1 1 228 ? 6.326 27.515 -14.434 0.36 21.95 ? 218 A 1 -ATOM 3881 H HZ2 . LYS A1 1 228 ? 5.335 28.52 -14.762 0.42 21.95 ? 218 A 1 -ATOM 3882 H HZ3 . LYS A1 1 228 ? 4.963 27.12 -14.727 0.43 21.95 ? 218 A 1 -ATOM 3883 N N . GLU A1 1 229 ? 2.018 28.157 -20.773 1.0 19.05 ? 219 A 1 -ATOM 3884 C CA . GLU A1 1 229 ? 1.783 29.506 -21.276 1.0 20.33 ? 219 A 1 -ATOM 3885 C C . GLU A1 1 229 ? 0.503 30.1 -20.71 1.0 19.78 ? 219 A 1 -ATOM 3886 O O . GLU A1 1 229 ? 0.461 31.288 -20.374 1.0 22.07 ? 219 A 1 -ATOM 3887 C CB . GLU A1 1 229 ? 1.716 29.458 -22.821 1.0 21.67 ? 219 A 1 -ATOM 3888 C CG . GLU A1 1 229 ? 1.252 30.773 -23.506 1.0 26.0 ? 219 A 1 -ATOM 3889 C CD . GLU A1 1 229 ? 1.211 30.683 -25.037 1.0 43.85 ? 219 A 1 -ATOM 3890 O OE1 . GLU A1 1 229 ? 1.317 29.564 -25.601 1.0 35.1 ? 219 A 1 -ATOM 3891 O OE2 . GLU A1 1 229 ? 1.046 31.749 -25.663 1.0 55.7 ? 219 A 1 -ATOM 3892 H H . GLU A1 1 229 ? 2.107 27.567 -21.392 1.0 22.86 ? 219 A 1 -ATOM 3893 H HA . GLU A1 1 229 ? 2.516 30.082 -21.006 1.0 24.4 ? 219 A 1 -ATOM 3894 H HB2 . GLU A1 1 229 ? 2.602 29.252 -23.159 1.0 26.0 ? 219 A 1 -ATOM 3895 H HB3 . GLU A1 1 229 ? 1.093 28.761 -23.079 1.0 26.0 ? 219 A 1 -ATOM 3896 H HG2 . GLU A1 1 229 ? 0.357 30.988 -23.197 1.0 31.21 ? 219 A 1 -ATOM 3897 H HG3 . GLU A1 1 229 ? 1.865 31.485 -23.266 1.0 31.21 ? 219 A 1 -ATOM 3898 N N . HIS A1 1 230 ? -0.549 29.301 -20.603 1.0 17.82 ? 220 A 1 -ATOM 3899 C CA . HIS A1 1 230 ? -1.849 29.807 -20.213 1.0 19.87 ? 220 A 1 -ATOM 3900 C C . HIS A1 1 230 ? -2.186 29.605 -18.745 1.0 19.42 ? 220 A 1 -ATOM 3901 O O . HIS A1 1 230 ? -3.256 30.062 -18.311 1.0 21.77 ? 220 A 1 -ATOM 3902 C CB . HIS A1 1 230 ? -2.916 29.187 -21.1 1.0 21.62 ? 220 A 1 -ATOM 3903 C CG . HIS A1 1 230 ? -2.751 29.592 -22.529 1.0 22.23 ? 220 A 1 -ATOM 3904 N ND1 . HIS A1 1 230 ? -3.063 30.862 -23.003 1.0 27.57 ? 220 A 1 -ATOM 3905 C CD2 . HIS A1 1 230 ? -2.267 28.908 -23.586 1.0 20.79 ? 220 A 1 -ATOM 3906 C CE1 . HIS A1 1 230 ? -2.78 30.921 -24.287 1.0 24.01 ? 220 A 1 -ATOM 3907 N NE2 . HIS A1 1 230 ? -2.326 29.746 -24.676 1.0 24.01 ? 220 A 1 -ATOM 3908 H H . HIS A1 1 230 ? -0.532 28.454 -20.753 1.0 21.39 ? 220 A 1 -ATOM 3909 H HA . HIS A1 1 230 ? -1.859 30.767 -20.353 1.0 23.85 ? 220 A 1 -ATOM 3910 H HB2 . HIS A1 1 230 ? -2.854 28.221 -21.048 1.0 25.95 ? 220 A 1 -ATOM 3911 H HB3 . HIS A1 1 230 ? -3.791 29.48 -20.8 1.0 25.95 ? 220 A 1 -ATOM 3912 H HD1 . HIS A1 1 230 ? -3.388 31.505 -22.533 1.0 33.09 ? 220 A 1 -ATOM 3913 H HD2 . HIS A1 1 230 ? -1.952 28.033 -23.579 1.0 24.95 ? 220 A 1 -ATOM 3914 H HE1 . HIS A1 1 230 ? -2.884 31.668 -24.83 1.0 28.82 ? 220 A 1 -ATOM 3915 N N . ASP A1 1 231 ? -1.341 28.945 -17.996 1.0 17.38 ? 221 A 1 -ATOM 3916 C CA . ASP A1 1 231 ? -1.525 28.868 -16.531 1.0 19.27 ? 221 A 1 -ATOM 3917 C C . ASP A1 1 231 ? -2.908 28.323 -16.195 1.0 18.64 ? 221 A 1 -ATOM 3918 O O . ASP A1 1 231 ? -3.615 28.878 -15.348 1.0 18.64 ? 221 A 1 -ATOM 3919 C CB . ASP A1 1 231 ? -1.264 30.247 -15.906 1.0 21.99 ? 221 A 1 -ATOM 3920 C CG . ASP A1 1 231 ? -1.367 30.247 -14.398 1.0 24.55 ? 221 A 1 -ATOM 3921 O OD1 . ASP A1 1 231 ? -0.956 29.262 -13.784 1.0 23.23 ? 221 A 1 -ATOM 3922 O OD2 . ASP A1 1 231 ? -1.797 31.293 -13.835 1.0 29.47 ? 221 A 1 -ATOM 3923 H H . ASP A1 1 231 ? -0.65 28.528 -18.292 1.0 20.85 ? 221 A 1 -ATOM 3924 H HA . ASP A1 1 231 ? -0.889 28.247 -16.143 1.0 23.13 ? 221 A 1 -ATOM 3925 H HB2 . ASP A1 1 231 ? -0.37 30.536 -16.145 1.0 26.39 ? 221 A 1 -ATOM 3926 H HB3 . ASP A1 1 231 ? -1.918 30.876 -16.249 1.0 26.39 ? 221 A 1 -ATOM 3927 N N . PHE A1 1 232 ? -3.311 27.222 -16.853 1.0 16.9 ? 222 A 1 -ATOM 3928 C CA . PHE A1 1 232 ? -4.659 26.719 -16.665 1.0 15.74 ? 222 A 1 -ATOM 3929 C C . PHE A1 1 232 ? -4.893 26.294 -15.224 1.0 15.07 ? 222 A 1 -ATOM 3930 O O . PHE A1 1 232 ? -4.029 25.741 -14.547 1.0 16.16 ? 222 A 1 -ATOM 3931 C CB . PHE A1 1 232 ? -4.882 25.509 -17.591 1.0 16.41 ? 222 A 1 -ATOM 3932 C CG . PHE A1 1 232 ? -5.007 25.902 -19.05 1.0 15.39 ? 222 A 1 -ATOM 3933 C CD1 . PHE A1 1 232 ? -6.107 26.661 -19.493 1.0 15.06 ? 222 A 1 -ATOM 3934 C CD2 . PHE A1 1 232 ? -4.019 25.592 -19.965 1.0 16.37 ? 222 A 1 -ATOM 3935 C CE1 . PHE A1 1 232 ? -6.221 27.046 -20.825 1.0 16.53 ? 222 A 1 -ATOM 3936 C CE2 . PHE A1 1 232 ? -4.144 25.983 -21.292 1.0 16.07 ? 222 A 1 -ATOM 3937 C CZ . PHE A1 1 232 ? -5.189 26.693 -21.707 1.0 17.08 ? 222 A 1 -ATOM 3938 H H . PHE A1 1 232 ? -2.826 26.768 -17.399 1.0 20.28 ? 222 A 1 -ATOM 3939 H HA . PHE A1 1 232 ? -5.296 27.418 -16.879 1.0 18.89 ? 222 A 1 -ATOM 3940 H HB2 . PHE A1 1 232 ? -4.128 24.904 -17.506 1.0 19.69 ? 222 A 1 -ATOM 3941 H HB3 . PHE A1 1 232 ? -5.7 25.059 -17.329 1.0 19.69 ? 222 A 1 -ATOM 3942 H HD1 . PHE A1 1 232 ? -6.767 26.908 -18.886 1.0 18.07 ? 222 A 1 -ATOM 3943 H HD2 . PHE A1 1 232 ? -3.266 25.12 -19.691 1.0 19.64 ? 222 A 1 -ATOM 3944 H HE1 . PHE A1 1 232 ? -6.961 27.524 -21.122 1.0 19.84 ? 222 A 1 -ATOM 3945 H HE2 . PHE A1 1 232 ? -3.484 25.743 -21.902 1.0 19.28 ? 222 A 1 -ATOM 3946 H HZ . PHE A1 1 232 ? -5.236 26.961 -22.597 1.0 20.5 ? 222 A 1 -ATOM 3947 N N . ASP A1 1 233 ? -6.114 26.512 -14.803 1.0 14.07 ? 223 A 1 -ATOM 3948 C CA . ASP A1 1 233 ? -6.53 26.137 -13.451 1.0 14.74 ? 223 A 1 -ATOM 3949 C C . ASP A1 1 233 ? -6.606 24.656 -13.281 1.0 13.82 ? 223 A 1 -ATOM 3950 O O . ASP A1 1 233 ? -6.345 24.141 -12.17 1.0 15.96 ? 223 A 1 -ATOM 3951 C CB . ASP A1 1 233 ? -7.861 26.793 -13.101 1.0 14.56 ? 223 A 1 -ATOM 3952 C CG . ASP A1 1 233 ? -7.797 28.277 -13.256 1.0 18.1 ? 223 A 1 -ATOM 3953 O OD1 . ASP A1 1 233 ? -6.96 28.91 -12.558 1.0 18.24 ? 223 A 1 -ATOM 3954 O OD2 . ASP A1 1 233 ? -8.504 28.848 -14.127 1.0 19.28 ? 223 A 1 -ATOM 3955 H H . ASP A1 1 233 ? -6.735 26.877 -15.273 1.0 16.89 ? 223 A 1 -ATOM 3956 H HA . ASP A1 1 233 ? -5.864 26.468 -12.829 1.0 17.69 ? 223 A 1 -ATOM 3957 H HB2 . ASP A1 1 233 ? -8.551 26.454 -13.692 1.0 17.47 ? 223 A 1 -ATOM 3958 H HB3 . ASP A1 1 233 ? -8.085 26.592 -12.179 1.0 17.47 ? 223 A 1 -ATOM 3959 N N . MET A1 1 234 ? -7.01 23.943 -14.329 1.0 13.45 ? 224 A 1 -ATOM 3960 C CA A MET A1 1 234 ? -7.125 22.5 -14.307 0.61 14.69 ? 224 A 1 -ATOM 3961 C CA B MET A1 1 234 ? -7.126 22.502 -14.31 0.39 12.71 ? 224 A 1 -ATOM 3962 C C . MET A1 1 234 ? -6.48 21.961 -15.564 1.0 12.55 ? 224 A 1 -ATOM 3963 O O . MET A1 1 234 ? -6.535 22.6 -16.636 1.0 13.25 ? 224 A 1 -ATOM 3964 C CB A MET A1 1 234 ? -8.58 21.953 -14.247 0.61 18.43 ? 224 A 1 -ATOM 3965 C CB B MET A1 1 234 ? -8.587 22.049 -14.266 0.39 19.07 ? 224 A 1 -ATOM 3966 C CG A MET A1 1 234 ? -9.471 22.598 -13.228 0.61 53.62 ? 224 A 1 -ATOM 3967 C CG B MET A1 1 234 ? -9.343 22.617 -13.116 0.39 12.73 ? 224 A 1 -ATOM 3968 S SD A MET A1 1 234 ? -10.493 23.873 -13.961 0.61 16.31 ? 224 A 1 -ATOM 3969 S SD B MET A1 1 234 ? -11.129 22.466 -13.33 0.39 36.2 ? 224 A 1 -ATOM 3970 C CE A MET A1 1 234 ? -11.834 22.957 -14.771 0.61 14.91 ? 224 A 1 -ATOM 3971 C CE B MET A1 1 234 ? -11.422 23.695 -14.597 0.39 41.23 ? 224 A 1 -ATOM 3972 H H A MET A1 1 234 ? -7.229 24.289 -15.085 0.61 16.14 ? 224 A 1 -ATOM 3973 H H B MET A1 1 234 ? -7.229 24.29 -15.085 0.39 16.14 ? 224 A 1 -ATOM 3974 H HA A MET A1 1 234 ? -6.686 22.19 -13.5 0.61 17.63 ? 224 A 1 -ATOM 3975 H HA B MET A1 1 234 ? -6.685 22.15 -13.521 0.39 15.25 ? 224 A 1 -ATOM 3976 H HB2 A MET A1 1 234 ? -8.992 22.086 -15.115 0.61 22.11 ? 224 A 1 -ATOM 3977 H HB2 B MET A1 1 234 ? -9.028 22.331 -15.083 0.39 22.88 ? 224 A 1 -ATOM 3978 H HB3 A MET A1 1 234 ? -8.541 21.007 -14.039 0.61 22.11 ? 224 A 1 -ATOM 3979 H HB3 B MET A1 1 234 ? -8.613 21.082 -14.193 0.39 22.88 ? 224 A 1 -ATOM 3980 H HG2 A MET A1 1 234 ? -10.052 21.926 -12.839 0.61 64.35 ? 224 A 1 -ATOM 3981 H HG2 B MET A1 1 234 ? -9.094 22.144 -12.306 0.39 15.27 ? 224 A 1 -ATOM 3982 H HG3 A MET A1 1 234 ? -8.925 23.004 -12.536 0.61 64.35 ? 224 A 1 -ATOM 3983 H HG3 B MET A1 1 234 ? -9.128 23.559 -13.028 0.39 15.27 ? 224 A 1 -ATOM 3984 H HE1 A MET A1 1 234 ? -12.436 23.588 -15.197 0.61 17.89 ? 224 A 1 -ATOM 3985 H HE1 B MET A1 1 234 ? -12.371 23.727 -14.793 0.39 49.47 ? 224 A 1 -ATOM 3986 H HE2 A MET A1 1 234 ? -11.454 22.363 -15.436 0.61 17.89 ? 224 A 1 -ATOM 3987 H HE2 B MET A1 1 234 ? -11.121 24.559 -14.275 0.39 49.47 ? 224 A 1 -ATOM 3988 H HE3 A MET A1 1 234 ? -12.314 22.442 -14.103 0.61 17.89 ? 224 A 1 -ATOM 3989 H HE3 B MET A1 1 234 ? -10.928 23.449 -15.395 0.39 49.47 ? 224 A 1 -ATOM 3990 N N . VAL A1 1 235 ? -5.933 20.756 -15.477 1.0 12.33 ? 225 A 1 -ATOM 3991 C CA . VAL A1 1 235 ? -5.377 20.089 -16.647 1.0 12.22 ? 225 A 1 -ATOM 3992 C C . VAL A1 1 235 ? -5.762 18.628 -16.604 1.0 12.38 ? 225 A 1 -ATOM 3993 O O . VAL A1 1 235 ? -5.327 17.909 -15.688 1.0 13.45 ? 225 A 1 -ATOM 3994 C CB . VAL A1 1 235 ? -3.863 20.205 -16.693 1.0 13.28 ? 225 A 1 -ATOM 3995 C CG1 . VAL A1 1 235 ? -3.346 19.508 -17.986 1.0 14.18 ? 225 A 1 -ATOM 3996 C CG2 . VAL A1 1 235 ? -3.392 21.609 -16.661 1.0 14.96 ? 225 A 1 -ATOM 3997 H H . VAL A1 1 235 ? -5.872 20.303 -14.749 1.0 14.79 ? 225 A 1 -ATOM 3998 H HA . VAL A1 1 235 ? -5.761 20.484 -17.446 1.0 14.66 ? 225 A 1 -ATOM 3999 H HB . VAL A1 1 235 ? -3.503 19.775 -15.901 1.0 15.93 ? 225 A 1 -ATOM 4000 H HG11 . VAL A1 1 235 ? -2.411 19.733 -18.114 1.0 17.02 ? 225 A 1 -ATOM 4001 H HG12 . VAL A1 1 235 ? -3.445 18.548 -17.888 1.0 17.02 ? 225 A 1 -ATOM 4002 H HG13 . VAL A1 1 235 ? -3.868 19.819 -18.742 1.0 17.02 ? 225 A 1 -ATOM 4003 H HG21 . VAL A1 1 235 ? -2.424 21.619 -16.726 1.0 17.96 ? 225 A 1 -ATOM 4004 H HG22 . VAL A1 1 235 ? -3.779 22.089 -17.41 1.0 17.96 ? 225 A 1 -ATOM 4005 H HG23 . VAL A1 1 235 ? -3.671 22.017 -15.827 1.0 17.96 ? 225 A 1 -ATOM 4006 N N . GLY A1 1 236 ? -6.537 18.175 -17.576 1.0 12.51 ? 226 A 1 -ATOM 4007 C CA . GLY A1 1 236 ? -6.985 16.788 -17.72 1.0 12.35 ? 226 A 1 -ATOM 4008 C C . GLY A1 1 236 ? -6.183 16.068 -18.795 1.0 12.4 ? 226 A 1 -ATOM 4009 O O . GLY A1 1 236 ? -6.3 16.425 -19.985 1.0 13.17 ? 226 A 1 -ATOM 4010 H H . GLY A1 1 236 ? -6.839 18.676 -18.206 1.0 15.01 ? 226 A 1 -ATOM 4011 H HA2 . GLY A1 1 236 ? -6.871 16.319 -16.879 1.0 14.82 ? 226 A 1 -ATOM 4012 H HA3 . GLY A1 1 236 ? -7.923 16.772 -17.967 1.0 14.82 ? 226 A 1 -ATOM 4013 N N . ILE A1 1 237 ? -5.394 15.093 -18.403 1.0 12.64 ? 227 A 1 -ATOM 4014 C CA . ILE A1 1 237 ? -4.533 14.337 -19.297 1.0 12.52 ? 227 A 1 -ATOM 4015 C C . ILE A1 1 237 ? -4.847 12.871 -19.176 1.0 13.47 ? 227 A 1 -ATOM 4016 O O . ILE A1 1 237 ? -5.032 12.339 -18.069 1.0 13.69 ? 227 A 1 -ATOM 4017 C CB . ILE A1 1 237 ? -3.069 14.611 -18.951 1.0 14.42 ? 227 A 1 -ATOM 4018 C CG1 . ILE A1 1 237 ? -2.674 16.027 -19.382 1.0 20.34 ? 227 A 1 -ATOM 4019 C CG2 . ILE A1 1 237 ? -2.149 13.643 -19.613 1.0 17.71 ? 227 A 1 -ATOM 4020 C CD1 . ILE A1 1 237 ? -1.311 16.52 -18.803 1.0 23.12 ? 227 A 1 -ATOM 4021 H H . ILE A1 1 237 ? -5.334 14.834 -17.585 1.0 15.17 ? 227 A 1 -ATOM 4022 H HA . ILE A1 1 237 ? -4.707 14.588 -20.218 1.0 15.02 ? 227 A 1 -ATOM 4023 H HB . ILE A1 1 237 ? -2.988 14.516 -17.989 1.0 17.31 ? 227 A 1 -ATOM 4024 H HG12 . ILE A1 1 237 ? -2.607 16.049 -20.349 1.0 24.41 ? 227 A 1 -ATOM 4025 H HG13 . ILE A1 1 237 ? -3.36 16.644 -19.083 1.0 24.41 ? 227 A 1 -ATOM 4026 H HG21 . ILE A1 1 237 ? -1.239 13.971 -19.54 1.0 21.26 ? 227 A 1 -ATOM 4027 H HG22 . ILE A1 1 237 ? -2.227 12.782 -19.172 1.0 21.26 ? 227 A 1 -ATOM 4028 H HG23 . ILE A1 1 237 ? -2.397 13.559 -20.547 1.0 21.26 ? 227 A 1 -ATOM 4029 H HD11 . ILE A1 1 237 ? -1.241 17.479 -18.933 1.0 27.75 ? 227 A 1 -ATOM 4030 H HD12 . ILE A1 1 237 ? -1.275 16.31 -17.857 1.0 27.75 ? 227 A 1 -ATOM 4031 H HD13 . ILE A1 1 237 ? -0.589 16.07 -19.269 1.0 27.75 ? 227 A 1 -ATOM 4032 N N . GLY A1 1 238 ? -4.879 12.165 -20.287 1.0 12.73 ? 228 A 1 -ATOM 4033 C CA . GLY A1 1 238 ? -5.031 10.739 -20.271 1.0 12.89 ? 228 A 1 -ATOM 4034 C C . GLY A1 1 238 ? -4.557 10.167 -21.593 1.0 12.97 ? 228 A 1 -ATOM 4035 O O . GLY A1 1 238 ? -4.248 10.916 -22.543 1.0 13.75 ? 228 A 1 -ATOM 4036 H H . GLY A1 1 238 ? -4.812 12.501 -21.076 1.0 15.27 ? 228 A 1 -ATOM 4037 H HA2 . GLY A1 1 238 ? -4.505 10.356 -19.552 1.0 15.47 ? 228 A 1 -ATOM 4038 H HA3 . GLY A1 1 238 ? -5.963 10.506 -20.14 1.0 15.47 ? 228 A 1 -ATOM 4039 N N . PRO A1 1 239 ? -4.453 8.864 -21.675 1.0 13.0 ? 229 A 1 -ATOM 4040 C CA . PRO A1 1 239 ? -4.065 8.192 -22.921 1.0 13.13 ? 229 A 1 -ATOM 4041 C C . PRO A1 1 239 ? -5.226 8.189 -23.886 1.0 13.99 ? 229 A 1 -ATOM 4042 O O . PRO A1 1 239 ? -6.395 8.13 -23.519 1.0 14.19 ? 229 A 1 -ATOM 4043 C CB . PRO A1 1 239 ? -3.762 6.753 -22.464 1.0 15.51 ? 229 A 1 -ATOM 4044 C CG . PRO A1 1 239 ? -4.757 6.559 -21.306 1.0 14.96 ? 229 A 1 -ATOM 4045 C CD . PRO A1 1 239 ? -4.712 7.887 -20.59 1.0 13.24 ? 229 A 1 -ATOM 4046 H HA . PRO A1 1 239 ? -3.273 8.588 -23.316 1.0 15.76 ? 229 A 1 -ATOM 4047 H HB2 . PRO A1 1 239 ? -3.927 6.125 -23.184 1.0 18.61 ? 229 A 1 -ATOM 4048 H HB3 . PRO A1 1 239 ? -2.843 6.678 -22.161 1.0 18.61 ? 229 A 1 -ATOM 4049 H HG2 . PRO A1 1 239 ? -5.644 6.372 -21.65 1.0 17.95 ? 229 A 1 -ATOM 4050 H HG3 . PRO A1 1 239 ? -4.466 5.836 -20.728 1.0 17.95 ? 229 A 1 -ATOM 4051 H HD2 . PRO A1 1 239 ? -5.559 8.072 -20.156 1.0 15.89 ? 229 A 1 -ATOM 4052 H HD3 . PRO A1 1 239 ? -3.995 7.901 -19.937 1.0 15.89 ? 229 A 1 -ATOM 4053 N N . PHE A1 1 240 ? -4.878 8.238 -25.181 1.0 13.63 ? 230 A 1 -ATOM 4054 C CA . PHE A1 1 240 ? -5.826 7.907 -26.233 1.0 13.73 ? 230 A 1 -ATOM 4055 C C . PHE A1 1 240 ? -6.125 6.408 -26.157 1.0 13.94 ? 230 A 1 -ATOM 4056 O O . PHE A1 1 240 ? -5.215 5.574 -26.15 1.0 14.75 ? 230 A 1 -ATOM 4057 C CB . PHE A1 1 240 ? -5.205 8.236 -27.597 1.0 13.87 ? 230 A 1 -ATOM 4058 C CG . PHE A1 1 240 ? -5.924 7.579 -28.764 1.0 14.22 ? 230 A 1 -ATOM 4059 C CD1 . PHE A1 1 240 ? -7.254 7.842 -29.04 1.0 15.11 ? 230 A 1 -ATOM 4060 C CD2 . PHE A1 1 240 ? -5.228 6.74 -29.572 1.0 15.69 ? 230 A 1 -ATOM 4061 C CE1 . PHE A1 1 240 ? -7.913 7.21 -30.078 1.0 15.37 ? 230 A 1 -ATOM 4062 C CE2 . PHE A1 1 240 ? -5.877 6.098 -30.662 1.0 17.23 ? 230 A 1 -ATOM 4063 C CZ . PHE A1 1 240 ? -7.24 6.367 -30.891 1.0 15.77 ? 230 A 1 -ATOM 4064 H H . PHE A1 1 240 ? -4.098 8.461 -25.468 1.0 16.35 ? 230 A 1 -ATOM 4065 H HA . PHE A1 1 240 ? -6.647 8.413 -26.131 1.0 16.48 ? 230 A 1 -ATOM 4066 H HB2 . PHE A1 1 240 ? -5.236 9.196 -27.731 1.0 16.64 ? 230 A 1 -ATOM 4067 H HB3 . PHE A1 1 240 ? -4.285 7.929 -27.604 1.0 16.64 ? 230 A 1 -ATOM 4068 H HD1 . PHE A1 1 240 ? -7.714 8.458 -28.517 1.0 18.13 ? 230 A 1 -ATOM 4069 H HD2 . PHE A1 1 240 ? -4.325 6.584 -29.413 1.0 18.83 ? 230 A 1 -ATOM 4070 H HE1 . PHE A1 1 240 ? -8.82 7.364 -30.216 1.0 18.44 ? 230 A 1 -ATOM 4071 H HE2 . PHE A1 1 240 ? -5.411 5.513 -31.214 1.0 20.68 ? 230 A 1 -ATOM 4072 H HZ . PHE A1 1 240 ? -7.678 5.963 -31.604 1.0 18.93 ? 230 A 1 -ATOM 4073 N N . ILE A1 1 241 ? -7.404 6.059 -26.158 1.0 14.47 ? 231 A 1 -ATOM 4074 C CA . ILE A1 1 241 ? -7.813 4.649 -26.151 1.0 14.97 ? 231 A 1 -ATOM 4075 C C . ILE A1 1 241 ? -8.653 4.37 -27.39 1.0 15.02 ? 231 A 1 -ATOM 4076 O O . ILE A1 1 241 ? -9.773 4.912 -27.505 1.0 15.37 ? 231 A 1 -ATOM 4077 C CB . ILE A1 1 241 ? -8.597 4.307 -24.886 1.0 14.84 ? 231 A 1 -ATOM 4078 C CG1 . ILE A1 1 241 ? -7.698 4.521 -23.628 1.0 17.49 ? 231 A 1 -ATOM 4079 C CG2 . ILE A1 1 241 ? -9.049 2.875 -24.957 1.0 17.57 ? 231 A 1 -ATOM 4080 C CD1 . ILE A1 1 241 ? -8.393 4.382 -22.296 1.0 19.43 ? 231 A 1 -ATOM 4081 H H . ILE A1 1 241 ? -8.059 6.616 -26.162 1.0 17.36 ? 231 A 1 -ATOM 4082 H HA . ILE A1 1 241 ? -7.017 4.094 -26.184 1.0 17.96 ? 231 A 1 -ATOM 4083 H HB . ILE A1 1 241 ? -9.37 4.889 -24.82 1.0 17.81 ? 231 A 1 -ATOM 4084 H HG12 . ILE A1 1 241 ? -6.984 3.865 -23.65 1.0 20.99 ? 231 A 1 -ATOM 4085 H HG13 . ILE A1 1 241 ? -7.328 5.416 -23.668 1.0 20.99 ? 231 A 1 -ATOM 4086 H HG21 . ILE A1 1 241 ? -9.358 2.597 -24.08 1.0 21.09 ? 231 A 1 -ATOM 4087 H HG22 . ILE A1 1 241 ? -9.772 2.803 -25.6 1.0 21.09 ? 231 A 1 -ATOM 4088 H HG23 . ILE A1 1 241 ? -8.303 2.321 -25.235 1.0 21.09 ? 231 A 1 -ATOM 4089 H HD11 . ILE A1 1 241 ? -7.793 4.682 -21.594 1.0 23.32 ? 231 A 1 -ATOM 4090 H HD12 . ILE A1 1 241 ? -9.195 4.928 -22.3 1.0 23.32 ? 231 A 1 -ATOM 4091 H HD13 . ILE A1 1 241 ? -8.627 3.451 -22.156 1.0 23.32 ? 231 A 1 -ATOM 4092 N N . PRO A1 1 242 ? -8.156 3.593 -28.354 1.0 15.24 ? 232 A 1 -ATOM 4093 C CA . PRO A1 1 242 ? -8.876 3.44 -29.618 1.0 15.24 ? 232 A 1 -ATOM 4094 C C . PRO A1 1 242 ? -10.233 2.797 -29.394 1.0 18.0 ? 232 A 1 -ATOM 4095 O O . PRO A1 1 242 ? -10.397 1.848 -28.598 1.0 17.3 ? 232 A 1 -ATOM 4096 C CB . PRO A1 1 242 ? -7.983 2.515 -30.454 1.0 17.99 ? 232 A 1 -ATOM 4097 C CG . PRO A1 1 242 ? -6.614 2.638 -29.852 1.0 20.56 ? 232 A 1 -ATOM 4098 C CD . PRO A1 1 242 ? -6.808 2.983 -28.393 1.0 16.65 ? 232 A 1 -ATOM 4099 H HA . PRO A1 1 242 ? -8.965 4.301 -30.056 1.0 18.28 ? 232 A 1 -ATOM 4100 H HB2 . PRO A1 1 242 ? -8.307 1.603 -30.395 1.0 21.59 ? 232 A 1 -ATOM 4101 H HB3 . PRO A1 1 242 ? -7.982 2.807 -31.379 1.0 21.59 ? 232 A 1 -ATOM 4102 H HG2 . PRO A1 1 242 ? -6.144 1.794 -29.942 1.0 24.67 ? 232 A 1 -ATOM 4103 H HG3 . PRO A1 1 242 ? -6.122 3.34 -30.305 1.0 24.67 ? 232 A 1 -ATOM 4104 H HD2 . PRO A1 1 242 ? -6.777 2.184 -27.843 1.0 19.97 ? 232 A 1 -ATOM 4105 H HD3 . PRO A1 1 242 ? -6.136 3.616 -28.097 1.0 19.97 ? 232 A 1 -ATOM 4106 N N . HIS A1 1 243 ? -11.218 3.288 -30.151 1.0 18.03 ? 233 A 1 -ATOM 4107 C CA . HIS A1 1 243 ? -12.582 2.813 -30.066 1.0 15.88 ? 233 A 1 -ATOM 4108 C C . HIS A1 1 243 ? -12.948 2.056 -31.334 1.0 19.0 ? 233 A 1 -ATOM 4109 O O . HIS A1 1 243 ? -12.697 2.538 -32.452 1.0 18.08 ? 233 A 1 -ATOM 4110 C CB . HIS A1 1 243 ? -13.514 3.979 -29.882 1.0 16.39 ? 233 A 1 -ATOM 4111 C CG . HIS A1 1 243 ? -14.917 3.594 -29.603 1.0 16.16 ? 233 A 1 -ATOM 4112 N ND1 . HIS A1 1 243 ? -15.678 2.871 -30.499 1.0 18.51 ? 233 A 1 -ATOM 4113 C CD2 . HIS A1 1 243 ? -15.711 3.87 -28.553 1.0 16.48 ? 233 A 1 -ATOM 4114 C CE1 . HIS A1 1 243 ? -16.883 2.703 -29.982 1.0 18.47 ? 233 A 1 -ATOM 4115 N NE2 . HIS A1 1 243 ? -16.907 3.27 -28.793 1.0 18.01 ? 233 A 1 -ATOM 4116 H H . HIS A1 1 243 ? -11.109 3.912 -30.732 1.0 21.63 ? 233 A 1 -ATOM 4117 H HA . HIS A1 1 243 ? -12.678 2.211 -29.312 1.0 19.06 ? 233 A 1 -ATOM 4118 H HB2 . HIS A1 1 243 ? -13.2 4.512 -29.134 1.0 19.67 ? 233 A 1 -ATOM 4119 H HB3 . HIS A1 1 243 ? -13.51 4.511 -30.693 1.0 19.67 ? 233 A 1 -ATOM 4120 H HD2 . HIS A1 1 243 ? -15.484 4.376 -27.806 1.0 19.78 ? 233 A 1 -ATOM 4121 H HE1 . HIS A1 1 243 ? -17.593 2.261 -30.389 1.0 22.16 ? 233 A 1 -ATOM 4122 H HE2 . HIS A1 1 243 ? -17.575 3.261 -28.251 1.0 21.61 ? 233 A 1 -ATOM 4123 N N . PRO A1 1 244 ? -13.495 0.833 -31.243 1.0 18.66 ? 234 A 1 -ATOM 4124 C CA . PRO A1 1 244 ? -13.684 0.0 -32.434 1.0 19.82 ? 234 A 1 -ATOM 4125 C C . PRO A1 1 244 ? -14.649 0.547 -33.446 1.0 18.7 ? 234 A 1 -ATOM 4126 O O . PRO A1 1 244 ? -14.607 0.108 -34.587 1.0 20.9 ? 234 A 1 -ATOM 4127 C CB . PRO A1 1 244 ? -14.175 -1.326 -31.851 1.0 24.06 ? 234 A 1 -ATOM 4128 C CG . PRO A1 1 244 ? -14.721 -0.987 -30.51 1.0 27.14 ? 234 A 1 -ATOM 4129 C CD . PRO A1 1 244 ? -13.855 0.141 -29.988 1.0 18.39 ? 234 A 1 -ATOM 4130 H HA . PRO A1 1 244 ? -12.828 -0.129 -32.872 1.0 23.78 ? 234 A 1 -ATOM 4131 H HB2 . PRO A1 1 244 ? -14.865 -1.7 -32.421 1.0 28.88 ? 234 A 1 -ATOM 4132 H HB3 . PRO A1 1 244 ? -13.434 -1.947 -31.777 1.0 28.88 ? 234 A 1 -ATOM 4133 H HG2 . PRO A1 1 244 ? -15.645 -0.702 -30.594 1.0 32.57 ? 234 A 1 -ATOM 4134 H HG3 . PRO A1 1 244 ? -14.665 -1.761 -29.928 1.0 32.57 ? 234 A 1 -ATOM 4135 H HD2 . PRO A1 1 244 ? -14.355 0.724 -29.395 1.0 22.07 ? 234 A 1 -ATOM 4136 H HD3 . PRO A1 1 244 ? -13.068 -0.199 -29.534 1.0 22.07 ? 234 A 1 -ATOM 4137 N N . ASP A1 1 245 ? -15.549 1.44 -33.083 1.0 19.17 ? 235 A 1 -ATOM 4138 C CA . ASP A1 1 245 ? -16.542 1.964 -33.999 1.0 21.21 ? 235 A 1 -ATOM 4139 C C . ASP A1 1 245 ? -16.154 3.342 -34.487 1.0 20.76 ? 235 A 1 -ATOM 4140 O O . ASP A1 1 245 ? -17.042 4.16 -34.742 1.0 22.47 ? 235 A 1 -ATOM 4141 C CB . ASP A1 1 245 ? -17.913 1.963 -33.341 1.0 21.94 ? 235 A 1 -ATOM 4142 C CG . ASP A1 1 245 ? -18.372 0.562 -32.955 1.0 24.64 ? 235 A 1 -ATOM 4143 O OD1 . ASP A1 1 245 ? -18.132 -0.375 -33.757 1.0 31.79 ? 235 A 1 -ATOM 4144 O OD2 . ASP A1 1 245 ? -18.962 0.402 -31.892 1.0 29.64 ? 235 A 1 -ATOM 4145 H H . ASP A1 1 245 ? -15.606 1.767 -32.289 1.0 23.0 ? 235 A 1 -ATOM 4146 H HA . ASP A1 1 245 ? -16.608 1.389 -34.778 1.0 25.46 ? 235 A 1 -ATOM 4147 H HB2 . ASP A1 1 245 ? -17.878 2.501 -32.535 1.0 26.33 ? 235 A 1 -ATOM 4148 H HB3 . ASP A1 1 245 ? -18.562 2.333 -33.959 1.0 26.33 ? 235 A 1 -ATOM 4149 N N . THR A1 1 246 ? -14.858 3.585 -34.649 1.0 18.56 ? 236 A 1 -ATOM 4150 C CA . THR A1 1 246 ? -14.325 4.853 -35.125 1.0 17.21 ? 236 A 1 -ATOM 4151 C C . THR A1 1 246 ? -13.248 4.612 -36.156 1.0 17.7 ? 236 A 1 -ATOM 4152 O O . THR A1 1 246 ? -12.703 3.498 -36.215 1.0 18.86 ? 236 A 1 -ATOM 4153 C CB . THR A1 1 246 ? -13.697 5.685 -34.011 1.0 17.5 ? 236 A 1 -ATOM 4154 O OG1 . THR A1 1 246 ? -12.445 5.081 -33.589 1.0 17.49 ? 236 A 1 -ATOM 4155 C CG2 . THR A1 1 246 ? -14.633 5.876 -32.819 1.0 16.05 ? 236 A 1 -ATOM 4156 H H . THR A1 1 246 ? -14.243 3.008 -34.483 1.0 22.27 ? 236 A 1 -ATOM 4157 H HA . THR A1 1 246 ? -15.072 5.341 -35.505 1.0 20.65 ? 236 A 1 -ATOM 4158 H HB . THR A1 1 246 ? -13.52 6.574 -34.356 1.0 21.01 ? 236 A 1 -ATOM 4159 H HG1 . THR A1 1 246 ? -12.58 4.294 -33.327 1.0 20.99 ? 236 A 1 -ATOM 4160 H HG21 . THR A1 1 246 ? -14.192 6.398 -32.131 1.0 19.26 ? 236 A 1 -ATOM 4161 H HG22 . THR A1 1 246 ? -15.437 6.34 -33.1 1.0 19.26 ? 236 A 1 -ATOM 4162 H HG23 . THR A1 1 246 ? -14.88 5.013 -32.45 1.0 19.26 ? 236 A 1 -ATOM 4163 N N . PRO A1 1 247 ? -12.846 5.631 -36.924 1.0 17.76 ? 237 A 1 -ATOM 4164 C CA . PRO A1 1 247 ? -11.785 5.453 -37.897 1.0 18.52 ? 237 A 1 -ATOM 4165 C C . PRO A1 1 247 ? -10.441 5.123 -37.324 1.0 17.62 ? 237 A 1 -ATOM 4166 O O . PRO A1 1 247 ? -9.593 4.616 -38.052 1.0 18.86 ? 237 A 1 -ATOM 4167 C CB . PRO A1 1 247 ? -11.772 6.789 -38.65 1.0 20.65 ? 237 A 1 -ATOM 4168 C CG . PRO A1 1 247 ? -13.162 7.373 -38.462 1.0 19.0 ? 237 A 1 -ATOM 4169 C CD . PRO A1 1 247 ? -13.526 6.943 -37.089 1.0 18.59 ? 237 A 1 -ATOM 4170 H HA . PRO A1 1 247 ? -12.031 4.74 -38.507 1.0 22.22 ? 237 A 1 -ATOM 4171 H HB2 . PRO A1 1 247 ? -11.098 7.373 -38.269 1.0 24.78 ? 237 A 1 -ATOM 4172 H HB3 . PRO A1 1 247 ? -11.586 6.635 -39.589 1.0 24.78 ? 237 A 1 -ATOM 4173 H HG2 . PRO A1 1 247 ? -13.135 8.34 -38.534 1.0 22.79 ? 237 A 1 -ATOM 4174 H HG3 . PRO A1 1 247 ? -13.774 7.008 -39.121 1.0 22.79 ? 237 A 1 -ATOM 4175 H HD2 . PRO A1 1 247 ? -13.202 7.581 -36.434 1.0 22.3 ? 237 A 1 -ATOM 4176 H HD3 . PRO A1 1 247 ? -14.488 6.842 -37.006 1.0 22.3 ? 237 A 1 -ATOM 4177 N N . LEU A1 1 248 ? -10.246 5.364 -36.04 1.0 17.12 ? 238 A 1 -ATOM 4178 C CA . LEU A1 1 248 ? -8.978 5.094 -35.366 1.0 16.7 ? 238 A 1 -ATOM 4179 C C . LEU A1 1 248 ? -8.944 3.743 -34.654 1.0 17.55 ? 238 A 1 -ATOM 4180 O O . LEU A1 1 248 ? -8.006 3.485 -33.86 1.0 17.33 ? 238 A 1 -ATOM 4181 C CB . LEU A1 1 248 ? -8.631 6.225 -34.429 1.0 16.52 ? 238 A 1 -ATOM 4182 C CG . LEU A1 1 248 ? -8.634 7.625 -35.088 1.0 16.67 ? 238 A 1 -ATOM 4183 C CD1 . LEU A1 1 248 ? -8.211 8.644 -34.073 1.0 17.58 ? 238 A 1 -ATOM 4184 C CD2 . LEU A1 1 248 ? -7.797 7.677 -36.357 1.0 17.65 ? 238 A 1 -ATOM 4185 H H . LEU A1 1 248 ? -10.846 5.694 -35.52 1.0 20.55 ? 238 A 1 -ATOM 4186 H HA . LEU A1 1 248 ? -8.278 5.059 -36.037 1.0 20.04 ? 238 A 1 -ATOM 4187 H HB2 . LEU A1 1 248 ? -9.279 6.238 -33.708 1.0 19.83 ? 238 A 1 -ATOM 4188 H HB3 . LEU A1 1 248 ? -7.742 6.069 -34.074 1.0 19.83 ? 238 A 1 -ATOM 4189 H HG . LEU A1 1 248 ? -9.533 7.841 -35.382 1.0 20.01 ? 238 A 1 -ATOM 4190 H HD11 . LEU A1 1 248 ? -8.319 9.53 -34.452 1.0 21.09 ? 238 A 1 -ATOM 4191 H HD12 . LEU A1 1 248 ? -8.766 8.551 -33.283 1.0 21.09 ? 238 A 1 -ATOM 4192 H HD13 . LEU A1 1 248 ? -7.281 8.493 -33.844 1.0 21.09 ? 238 A 1 -ATOM 4193 H HD21 . LEU A1 1 248 ? -7.714 8.6 -36.643 1.0 21.18 ? 238 A 1 -ATOM 4194 H HD22 . LEU A1 1 248 ? -6.919 7.308 -36.172 1.0 21.18 ? 238 A 1 -ATOM 4195 H HD23 . LEU A1 1 248 ? -8.236 7.155 -37.047 1.0 21.18 ? 238 A 1 -ATOM 4196 N N . ALA A1 1 249 ? -9.899 2.868 -34.944 1.0 17.9 ? 239 A 1 -ATOM 4197 C CA . ALA A1 1 249 ? -10.007 1.581 -34.245 1.0 18.72 ? 239 A 1 -ATOM 4198 C C . ALA A1 1 249 ? -8.712 0.779 -34.179 1.0 18.96 ? 239 A 1 -ATOM 4199 O O . ALA A1 1 249 ? -8.478 0.118 -33.169 1.0 19.36 ? 239 A 1 -ATOM 4200 C CB . ALA A1 1 249 ? -11.066 0.713 -34.959 1.0 21.07 ? 239 A 1 -ATOM 4201 H H . ALA A1 1 249 ? -10.504 2.989 -35.543 1.0 21.48 ? 239 A 1 -ATOM 4202 H HA . ALA A1 1 249 ? -10.261 1.786 -33.332 1.0 22.47 ? 239 A 1 -ATOM 4203 H HB1 . ALA A1 1 249 ? -11.122 -0.147 -34.515 1.0 25.29 ? 239 A 1 -ATOM 4204 H HB2 . ALA A1 1 249 ? -11.925 1.163 -34.917 1.0 25.29 ? 239 A 1 -ATOM 4205 H HB3 . ALA A1 1 249 ? -10.803 0.59 -35.885 1.0 25.29 ? 239 A 1 -ATOM 4206 N N . ASN A1 1 250 ? -7.893 0.816 -35.201 1.0 19.63 ? 240 A 1 -ATOM 4207 C CA . ASN A1 1 250 ? -6.754 -0.072 -35.315 1.0 19.81 ? 240 A 1 -ATOM 4208 C C . ASN A1 1 250 ? -5.443 0.62 -34.967 1.0 18.45 ? 240 A 1 -ATOM 4209 O O . ASN A1 1 250 ? -4.376 0.029 -35.141 1.0 20.87 ? 240 A 1 -ATOM 4210 C CB . ASN A1 1 250 ? -6.724 -0.698 -36.7 1.0 21.13 ? 240 A 1 -ATOM 4211 C CG . ASN A1 1 250 ? -7.967 -1.496 -36.98 1.0 38.32 ? 240 A 1 -ATOM 4212 O OD1 . ASN A1 1 250 ? -8.429 -2.262 -36.131 1.0 38.14 ? 240 A 1 -ATOM 4213 N ND2 . ASN A1 1 250 ? -8.534 -1.32 -38.167 1.0 45.1 ? 240 A 1 -ATOM 4214 H H . ASN A1 1 250 ? -7.974 1.36 -35.862 1.0 23.55 ? 240 A 1 -ATOM 4215 H HA . ASN A1 1 250 ? -6.849 -0.805 -34.687 1.0 23.77 ? 240 A 1 -ATOM 4216 H HB2 . ASN A1 1 250 ? -6.657 0.004 -37.366 1.0 25.36 ? 240 A 1 -ATOM 4217 H HB3 . ASN A1 1 250 ? -5.96 -1.292 -36.766 1.0 25.36 ? 240 A 1 -ATOM 4218 H HD21 . ASN A1 1 250 ? -9.247 -1.754 -38.372 1.0 54.12 ? 240 A 1 -ATOM 4219 H HD22 . ASN A1 1 250 ? -8.188 -0.77 -38.731 1.0 54.12 ? 240 A 1 -ATOM 4220 N N . GLU A1 1 251 ? -5.508 1.844 -34.472 1.0 17.48 ? 241 A 1 -ATOM 4221 C CA . GLU A1 1 251 ? -4.313 2.597 -34.114 1.0 17.72 ? 241 A 1 -ATOM 4222 C C . GLU A1 1 251 ? -3.775 2.162 -32.745 1.0 16.8 ? 241 A 1 -ATOM 4223 O O . GLU A1 1 251 ? -4.451 1.498 -31.95 1.0 18.35 ? 241 A 1 -ATOM 4224 C CB . GLU A1 1 251 ? -4.607 4.108 -34.149 1.0 17.52 ? 241 A 1 -ATOM 4225 C CG . GLU A1 1 251 ? -5.101 4.568 -35.531 1.0 20.62 ? 241 A 1 -ATOM 4226 C CD . GLU A1 1 251 ? -4.025 4.5 -36.567 1.0 30.05 ? 241 A 1 -ATOM 4227 O OE1 . GLU A1 1 251 ? -2.863 4.825 -36.284 1.0 25.86 ? 241 A 1 -ATOM 4228 O OE2 . GLU A1 1 251 ? -4.354 4.143 -37.723 1.0 45.44 ? 241 A 1 -ATOM 4229 H H . GLU A1 1 251 ? -6.242 2.27 -34.33 1.0 20.98 ? 241 A 1 -ATOM 4230 H HA . GLU A1 1 251 ? -3.609 2.422 -34.758 1.0 21.26 ? 241 A 1 -ATOM 4231 H HB2 . GLU A1 1 251 ? -5.294 4.313 -33.496 1.0 21.02 ? 241 A 1 -ATOM 4232 H HB3 . GLU A1 1 251 ? -3.794 4.595 -33.939 1.0 21.02 ? 241 A 1 -ATOM 4233 H HG2 . GLU A1 1 251 ? -5.831 3.996 -35.815 1.0 24.74 ? 241 A 1 -ATOM 4234 H HG3 . GLU A1 1 251 ? -5.405 5.487 -35.471 1.0 24.74 ? 241 A 1 -ATOM 4235 N N . LYS A1 1 252 ? -2.524 2.544 -32.488 1.0 16.9 ? 242 A 1 -ATOM 4236 C CA . LYS A1 1 252 ? -1.917 2.232 -31.192 1.0 16.43 ? 242 A 1 -ATOM 4237 C C . LYS A1 1 252 ? -2.642 2.952 -30.059 1.0 16.79 ? 242 A 1 -ATOM 4238 O O . LYS A1 1 252 ? -3.082 4.098 -30.167 1.0 17.7 ? 242 A 1 -ATOM 4239 C CB . LYS A1 1 252 ? -0.478 2.702 -31.189 1.0 16.72 ? 242 A 1 -ATOM 4240 C CG . LYS A1 1 252 ? 0.429 1.903 -32.052 1.0 19.69 ? 242 A 1 -ATOM 4241 C CD . LYS A1 1 252 ? 1.806 2.537 -32.04 1.0 22.35 ? 242 A 1 -ATOM 4242 C CE . LYS A1 1 252 ? 2.862 1.655 -32.723 1.0 28.53 ? 242 A 1 -ATOM 4243 N NZ . LYS A1 1 252 ? 4.186 2.361 -32.767 1.0 34.97 ? 242 A 1 -ATOM 4244 H H . LYS A1 1 252 ? -2.017 2.975 -33.032 1.0 20.28 ? 242 A 1 -ATOM 4245 H HA . LYS A1 1 252 ? -1.965 1.275 -31.047 1.0 19.71 ? 242 A 1 -ATOM 4246 H HB2 . LYS A1 1 252 ? -0.45 3.618 -31.505 1.0 20.06 ? 242 A 1 -ATOM 4247 H HB3 . LYS A1 1 252 ? -0.138 2.653 -30.282 1.0 20.06 ? 242 A 1 -ATOM 4248 H HG2 . LYS A1 1 252 ? 0.496 0.996 -31.712 1.0 23.62 ? 242 A 1 -ATOM 4249 H HG3 . LYS A1 1 252 ? 0.094 1.891 -32.962 1.0 23.62 ? 242 A 1 -ATOM 4250 H HD2 . LYS A1 1 252 ? 1.77 3.384 -32.511 1.0 26.82 ? 242 A 1 -ATOM 4251 H HD3 . LYS A1 1 252 ? 2.082 2.68 -31.121 1.0 26.82 ? 242 A 1 -ATOM 4252 H HE2 . LYS A1 1 252 ? 2.968 0.829 -32.225 1.0 34.24 ? 242 A 1 -ATOM 4253 H HE3 . LYS A1 1 252 ? 2.585 1.461 -33.632 1.0 34.24 ? 242 A 1 -ATOM 4254 H HZ1 . LYS A1 1 252 ? 4.791 1.849 -33.172 1.0 41.96 ? 242 A 1 -ATOM 4255 H HZ2 . LYS A1 1 252 ? 4.109 3.126 -33.216 1.0 41.96 ? 242 A 1 -ATOM 4256 H HZ3 . LYS A1 1 252 ? 4.464 2.538 -31.941 1.0 41.96 ? 242 A 1 -ATOM 4257 N N . LYS A1 1 253 ? -2.772 2.235 -28.945 1.0 16.27 ? 243 A 1 -ATOM 4258 C CA . LYS A1 1 253 ? -3.218 2.835 -27.69 1.0 15.4 ? 243 A 1 -ATOM 4259 C C . LYS A1 1 253 ? -2.126 3.736 -27.115 1.0 15.11 ? 243 A 1 -ATOM 4260 O O . LYS A1 1 253 ? -0.943 3.455 -27.277 1.0 16.75 ? 243 A 1 -ATOM 4261 C CB . LYS A1 1 253 ? -3.553 1.691 -26.72 1.0 17.63 ? 243 A 1 -ATOM 4262 C CG . LYS A1 1 253 ? -4.25 2.125 -25.474 1.0 18.9 ? 243 A 1 -ATOM 4263 C CD . LYS A1 1 253 ? -4.553 0.913 -24.513 1.0 23.8 ? 243 A 1 -ATOM 4264 C CE . LYS A1 1 253 ? -5.422 -0.088 -25.169 1.0 25.12 ? 243 A 1 -ATOM 4265 N NZ . LYS A1 1 253 ? -5.796 -1.205 -24.195 1.0 23.31 ? 243 A 1 -ATOM 4266 H H . LYS A1 1 253 ? -2.607 1.393 -28.889 1.0 19.53 ? 243 A 1 -ATOM 4267 H HA . LYS A1 1 253 ? -4.005 3.388 -27.816 1.0 18.48 ? 243 A 1 -ATOM 4268 H HB2 . LYS A1 1 253 ? -4.131 1.059 -27.175 1.0 21.15 ? 243 A 1 -ATOM 4269 H HB3 . LYS A1 1 253 ? -2.727 1.256 -26.458 1.0 21.15 ? 243 A 1 -ATOM 4270 H HG2 . LYS A1 1 253 ? -3.688 2.756 -24.997 1.0 22.68 ? 243 A 1 -ATOM 4271 H HG3 . LYS A1 1 253 ? -5.093 2.544 -25.709 1.0 22.68 ? 243 A 1 -ATOM 4272 H HD2 . LYS A1 1 253 ? -3.72 0.481 -24.267 1.0 28.56 ? 243 A 1 -ATOM 4273 H HD3 . LYS A1 1 253 ? -5.005 1.237 -23.718 1.0 28.56 ? 243 A 1 -ATOM 4274 H HE2 . LYS A1 1 253 ? -6.237 0.341 -25.472 1.0 30.14 ? 243 A 1 -ATOM 4275 H HE3 . LYS A1 1 253 ? -4.953 -0.48 -25.922 1.0 30.14 ? 243 A 1 -ATOM 4276 H HZ1 . LYS A1 1 253 ? -6.328 -1.794 -24.597 1.0 27.98 ? 243 A 1 -ATOM 4277 H HZ2 . LYS A1 1 253 ? -5.061 -1.623 -23.915 1.0 27.98 ? 243 A 1 -ATOM 4278 H HZ3 . LYS A1 1 253 ? -6.221 -0.866 -23.49 1.0 27.98 ? 243 A 1 -ATOM 4279 N N . GLY A1 1 254 ? -2.512 4.79 -26.427 1.0 15.31 ? 244 A 1 -ATOM 4280 C CA . GLY A1 1 254 ? -1.524 5.622 -25.731 1.0 15.71 ? 244 A 1 -ATOM 4281 C C . GLY A1 1 254 ? -0.825 4.861 -24.622 1.0 14.49 ? 244 A 1 -ATOM 4282 O O . GLY A1 1 254 ? -1.372 3.906 -24.043 1.0 18.19 ? 244 A 1 -ATOM 4283 H H . GLY A1 1 254 ? -3.327 5.053 -26.343 1.0 18.37 ? 244 A 1 -ATOM 4284 H HA2 . GLY A1 1 254 ? -0.856 5.927 -26.364 1.0 18.85 ? 244 A 1 -ATOM 4285 H HA3 . GLY A1 1 254 ? -1.967 6.393 -25.343 1.0 18.85 ? 244 A 1 -ATOM 4286 N N . ASP A1 1 255 ? 0.398 5.252 -24.372 1.0 15.17 ? 245 A 1 -ATOM 4287 C CA . ASP A1 1 255 ? 1.233 4.543 -23.409 1.0 14.38 ? 245 A 1 -ATOM 4288 C C . ASP A1 1 255 ? 1.019 5.103 -22.0 1.0 16.17 ? 245 A 1 -ATOM 4289 O O . ASP A1 1 255 ? 1.125 6.307 -21.769 1.0 15.44 ? 245 A 1 -ATOM 4290 C CB . ASP A1 1 255 ? 2.679 4.727 -23.805 1.0 16.68 ? 245 A 1 -ATOM 4291 C CG . ASP A1 1 255 ? 3.634 3.93 -22.931 1.0 20.07 ? 245 A 1 -ATOM 4292 O OD1 . ASP A1 1 255 ? 3.683 2.674 -23.058 1.0 21.65 ? 245 A 1 -ATOM 4293 O OD2 . ASP A1 1 255 ? 4.324 4.589 -22.096 1.0 20.45 ? 245 A 1 -ATOM 4294 H H . ASP A1 1 255 ? 0.778 5.928 -24.744 1.0 18.2 ? 245 A 1 -ATOM 4295 H HA . ASP A1 1 255 ? 1.0 3.601 -23.395 1.0 17.26 ? 245 A 1 -ATOM 4296 H HB2 . ASP A1 1 255 ? 2.796 4.433 -24.722 1.0 20.01 ? 245 A 1 -ATOM 4297 H HB3 . ASP A1 1 255 ? 2.912 5.665 -23.725 1.0 20.01 ? 245 A 1 -ATOM 4298 N N . PHE A1 1 256 ? 0.753 4.218 -21.038 1.0 15.31 ? 246 A 1 -ATOM 4299 C CA . PHE A1 1 256 ? 0.506 4.644 -19.661 1.0 14.17 ? 246 A 1 -ATOM 4300 C C . PHE A1 1 256 ? 1.694 5.378 -19.055 1.0 14.67 ? 246 A 1 -ATOM 4301 O O . PHE A1 1 256 ? 1.531 6.459 -18.46 1.0 14.5 ? 246 A 1 -ATOM 4302 C CB . PHE A1 1 256 ? 0.12 3.437 -18.816 1.0 15.82 ? 246 A 1 -ATOM 4303 C CG . PHE A1 1 256 ? -0.117 3.779 -17.373 1.0 15.26 ? 246 A 1 -ATOM 4304 C CD1 . PHE A1 1 256 ? -1.219 4.459 -17.007 1.0 16.33 ? 246 A 1 -ATOM 4305 C CD2 . PHE A1 1 256 ? 0.787 3.434 -16.387 1.0 17.92 ? 246 A 1 -ATOM 4306 C CE1 . PHE A1 1 256 ? -1.493 4.733 -15.647 1.0 17.91 ? 246 A 1 -ATOM 4307 C CE2 . PHE A1 1 256 ? 0.547 3.681 -15.037 1.0 17.32 ? 246 A 1 -ATOM 4308 C CZ . PHE A1 1 256 ? -0.574 4.371 -14.682 1.0 17.21 ? 246 A 1 -ATOM 4309 H H . PHE A1 1 256 ? 0.71 3.368 -21.156 1.0 18.37 ? 246 A 1 -ATOM 4310 H HA . PHE A1 1 256 ? -0.234 5.271 -19.664 1.0 17.01 ? 246 A 1 -ATOM 4311 H HB2 . PHE A1 1 256 ? -0.697 3.053 -19.17 1.0 18.98 ? 246 A 1 -ATOM 4312 H HB3 . PHE A1 1 256 ? 0.837 2.784 -18.854 1.0 18.98 ? 246 A 1 -ATOM 4313 H HD1 . PHE A1 1 256 ? -1.812 4.754 -17.66 1.0 19.6 ? 246 A 1 -ATOM 4314 H HD2 . PHE A1 1 256 ? 1.584 3.022 -16.633 1.0 21.5 ? 246 A 1 -ATOM 4315 H HE1 . PHE A1 1 256 ? -2.286 5.154 -15.404 1.0 21.49 ? 246 A 1 -ATOM 4316 H HE2 . PHE A1 1 256 ? 1.142 3.381 -14.388 1.0 20.78 ? 246 A 1 -ATOM 4317 H HZ . PHE A1 1 256 ? -0.72 4.597 -13.792 1.0 20.65 ? 246 A 1 -ATOM 4318 N N . THR A1 1 257 ? 2.889 4.834 -19.183 1.0 15.69 ? 247 A 1 -ATOM 4319 C CA . THR A1 1 257 ? 4.035 5.488 -18.551 1.0 14.95 ? 247 A 1 -ATOM 4320 C C . THR A1 1 257 ? 4.276 6.867 -19.123 1.0 15.91 ? 247 A 1 -ATOM 4321 O O . THR A1 1 257 ? 4.545 7.821 -18.378 1.0 15.14 ? 247 A 1 -ATOM 4322 C CB . THR A1 1 257 ? 5.261 4.599 -18.665 1.0 16.91 ? 247 A 1 -ATOM 4323 O OG1 . THR A1 1 257 ? 4.986 3.369 -17.977 1.0 20.37 ? 247 A 1 -ATOM 4324 C CG2 . THR A1 1 257 ? 6.48 5.236 -18.01 1.0 20.05 ? 247 A 1 -ATOM 4325 H H . THR A1 1 257 ? 3.066 4.111 -19.614 1.0 18.83 ? 247 A 1 -ATOM 4326 H HA . THR A1 1 257 ? 3.85 5.608 -17.607 1.0 17.94 ? 247 A 1 -ATOM 4327 H HB . THR A1 1 257 ? 5.463 4.452 -19.603 1.0 20.3 ? 247 A 1 -ATOM 4328 H HG1 . THR A1 1 257 ? 4.304 3.003 -18.304 1.0 24.44 ? 247 A 1 -ATOM 4329 H HG21 . THR A1 1 257 ? 7.206 4.594 -17.965 1.0 24.06 ? 247 A 1 -ATOM 4330 H HG22 . THR A1 1 257 ? 6.771 6.004 -18.527 1.0 24.06 ? 247 A 1 -ATOM 4331 H HG23 . THR A1 1 257 ? 6.26 5.527 -17.111 1.0 24.06 ? 247 A 1 -ATOM 4332 N N . LEU A1 1 258 ? 4.24 6.997 -20.457 1.0 15.0 ? 248 A 1 -ATOM 4333 C CA . LEU A1 1 258 ? 4.396 8.313 -21.073 1.0 14.64 ? 248 A 1 -ATOM 4334 C C . LEU A1 1 258 ? 3.337 9.274 -20.57 1.0 14.41 ? 248 A 1 -ATOM 4335 O O . LEU A1 1 258 ? 3.629 10.455 -20.309 1.0 14.18 ? 248 A 1 -ATOM 4336 C CB . LEU A1 1 258 ? 4.36 8.147 -22.599 1.0 16.17 ? 248 A 1 -ATOM 4337 C CG . LEU A1 1 258 ? 4.684 9.407 -23.355 1.0 17.56 ? 248 A 1 -ATOM 4338 C CD1 . LEU A1 1 258 ? 6.05 9.908 -23.067 1.0 19.07 ? 248 A 1 -ATOM 4339 C CD2 . LEU A1 1 258 ? 4.542 9.074 -24.869 1.0 18.55 ? 248 A 1 -ATOM 4340 H H . LEU A1 1 258 ? 4.13 6.35 -21.013 1.0 18.0 ? 248 A 1 -ATOM 4341 H HA . LEU A1 1 258 ? 5.253 8.702 -20.839 1.0 17.57 ? 248 A 1 -ATOM 4342 H HB2 . LEU A1 1 258 ? 5.01 7.473 -22.853 1.0 19.41 ? 248 A 1 -ATOM 4343 H HB3 . LEU A1 1 258 ? 3.47 7.864 -22.86 1.0 19.41 ? 248 A 1 -ATOM 4344 H HG . LEU A1 1 258 ? 4.081 10.118 -23.089 1.0 21.07 ? 248 A 1 -ATOM 4345 H HD11 . LEU A1 1 258 ? 6.272 10.605 -23.704 1.0 22.89 ? 248 A 1 -ATOM 4346 H HD12 . LEU A1 1 258 ? 6.071 10.265 -22.165 1.0 22.89 ? 248 A 1 -ATOM 4347 H HD13 . LEU A1 1 258 ? 6.679 9.174 -23.147 1.0 22.89 ? 248 A 1 -ATOM 4348 H HD21 . LEU A1 1 258 ? 4.799 9.852 -25.388 1.0 22.25 ? 248 A 1 -ATOM 4349 H HD22 . LEU A1 1 258 ? 5.121 8.326 -25.083 1.0 22.25 ? 248 A 1 -ATOM 4350 H HD23 . LEU A1 1 258 ? 3.619 8.842 -25.056 1.0 22.25 ? 248 A 1 -ATOM 4351 N N . THR A1 1 259 ? 2.102 8.812 -20.442 1.0 13.96 ? 249 A 1 -ATOM 4352 C CA . THR A1 1 259 ? 1.031 9.684 -19.949 1.0 13.04 ? 249 A 1 -ATOM 4353 C C . THR A1 1 259 ? 1.303 10.106 -18.509 1.0 13.95 ? 249 A 1 -ATOM 4354 O O . THR A1 1 259 ? 1.063 11.266 -18.131 1.0 14.18 ? 249 A 1 -ATOM 4355 C CB . THR A1 1 259 ? -0.342 8.976 -20.088 1.0 13.73 ? 249 A 1 -ATOM 4356 O OG1 . THR A1 1 259 ? -0.531 8.523 -21.444 1.0 15.0 ? 249 A 1 -ATOM 4357 C CG2 . THR A1 1 259 ? -1.469 9.903 -19.759 1.0 14.37 ? 249 A 1 -ATOM 4358 H H . THR A1 1 259 ? 1.853 8.01 -20.63 1.0 16.76 ? 249 A 1 -ATOM 4359 H HA . THR A1 1 259 ? 0.992 10.487 -20.491 1.0 15.64 ? 249 A 1 -ATOM 4360 H HB . THR A1 1 259 ? -0.356 8.227 -19.473 1.0 16.48 ? 249 A 1 -ATOM 4361 H HG1 . THR A1 1 259 ? 0.049 7.948 -21.639 1.0 18.0 ? 249 A 1 -ATOM 4362 H HG21 . THR A1 1 259 ? -2.318 9.472 -19.944 1.0 17.25 ? 249 A 1 -ATOM 4363 H HG22 . THR A1 1 259 ? -1.436 10.145 -18.82 1.0 17.25 ? 249 A 1 -ATOM 4364 H HG23 . THR A1 1 259 ? -1.402 10.71 -20.294 1.0 17.25 ? 249 A 1 -ATOM 4365 N N . LEU A1 1 260 ? 1.734 9.169 -17.68 1.0 13.29 ? 250 A 1 -ATOM 4366 C CA A LEU A1 1 260 ? 2.094 9.497 -16.299 0.46 14.02 ? 250 A 1 -ATOM 4367 C CA B LEU A1 1 260 ? 2.076 9.497 -16.304 0.54 13.26 ? 250 A 1 -ATOM 4368 C C . LEU A1 1 260 ? 3.189 10.542 -16.251 1.0 13.6 ? 250 A 1 -ATOM 4369 O O . LEU A1 1 260 ? 3.176 11.455 -15.417 1.0 13.82 ? 250 A 1 -ATOM 4370 C CB A LEU A1 1 260 ? 2.632 8.28 -15.556 0.46 16.59 ? 250 A 1 -ATOM 4371 C CB B LEU A1 1 260 ? 2.458 8.188 -15.628 0.54 14.93 ? 250 A 1 -ATOM 4372 C CG A LEU A1 1 260 ? 1.723 7.31 -14.88 0.46 14.58 ? 250 A 1 -ATOM 4373 C CG B LEU A1 1 260 ? 2.6 8.152 -14.155 0.54 13.51 ? 250 A 1 -ATOM 4374 C CD1 A LEU A1 1 260 ? 2.632 6.372 -14.11 0.46 18.44 ? 250 A 1 -ATOM 4375 C CD1 B LEU A1 1 260 ? 1.315 8.519 -13.511 0.54 14.48 ? 250 A 1 -ATOM 4376 C CD2 A LEU A1 1 260 ? 0.774 7.976 -13.882 0.46 13.41 ? 250 A 1 -ATOM 4377 C CD2 B LEU A1 1 260 ? 3.002 6.735 -13.797 0.54 18.07 ? 250 A 1 -ATOM 4378 H H A LEU A1 1 260 ? 1.829 8.339 -17.884 0.46 15.94 ? 250 A 1 -ATOM 4379 H H B LEU A1 1 260 ? 1.837 8.34 -17.885 0.54 15.94 ? 250 A 1 -ATOM 4380 H HA A LEU A1 1 260 ? 1.282 9.813 -15.872 0.46 16.82 ? 250 A 1 -ATOM 4381 H HA B LEU A1 1 260 ? 1.33 9.889 -15.825 0.54 15.91 ? 250 A 1 -ATOM 4382 H HB2 A LEU A1 1 260 ? 3.138 7.76 -16.2 0.46 19.91 ? 250 A 1 -ATOM 4383 H HB2 B LEU A1 1 260 ? 1.777 7.536 -15.854 0.54 17.92 ? 250 A 1 -ATOM 4384 H HB3 A LEU A1 1 260 ? 3.222 8.614 -14.863 0.46 19.91 ? 250 A 1 -ATOM 4385 H HB3 B LEU A1 1 260 ? 3.314 7.913 -15.992 0.54 17.92 ? 250 A 1 -ATOM 4386 H HG A LEU A1 1 260 ? 1.166 6.865 -15.538 0.46 17.49 ? 250 A 1 -ATOM 4387 H HG B LEU A1 1 260 ? 3.264 8.783 -13.836 0.54 16.22 ? 250 A 1 -ATOM 4388 H HD11 A LEU A1 1 260 ? 2.09 5.697 -13.672 0.46 22.12 ? 250 A 1 -ATOM 4389 H HD11 B LEU A1 1 260 ? 1.368 8.318 -12.564 0.54 17.38 ? 250 A 1 -ATOM 4390 H HD12 A LEU A1 1 260 ? 3.248 5.951 -14.729 0.46 22.12 ? 250 A 1 -ATOM 4391 H HD12 B LEU A1 1 260 ? 1.157 9.467 -13.64 0.54 17.38 ? 250 A 1 -ATOM 4392 H HD13 A LEU A1 1 260 ? 3.124 6.882 -13.448 0.46 22.12 ? 250 A 1 -ATOM 4393 H HD13 B LEU A1 1 260 ? 0.6 8.006 -13.919 0.54 17.38 ? 250 A 1 -ATOM 4394 H HD21 A LEU A1 1 260 ? 0.243 7.292 -13.446 0.46 16.09 ? 250 A 1 -ATOM 4395 H HD21 B LEU A1 1 260 ? 2.955 6.627 -12.835 0.54 21.69 ? 250 A 1 -ATOM 4396 H HD22 A LEU A1 1 260 ? 1.297 8.459 -13.223 0.46 16.09 ? 250 A 1 -ATOM 4397 H HD22 B LEU A1 1 260 ? 2.393 6.116 -14.23 0.54 21.69 ? 250 A 1 -ATOM 4398 H HD23 A LEU A1 1 260 ? 0.195 8.591 -14.359 0.46 16.09 ? 250 A 1 -ATOM 4399 H HD23 B LEU A1 1 260 ? 3.908 6.577 -14.105 0.54 21.69 ? 250 A 1 -ATOM 4400 N N . LYS A1 1 261 ? 4.175 10.462 -17.161 1.0 13.56 ? 251 A 1 -ATOM 4401 C CA . LYS A1 1 261 ? 5.223 11.451 -17.199 1.0 14.31 ? 251 A 1 -ATOM 4402 C C . LYS A1 1 261 ? 4.682 12.817 -17.615 1.0 13.64 ? 251 A 1 -ATOM 4403 O O . LYS A1 1 261 ? 5.168 13.86 -17.144 1.0 15.12 ? 251 A 1 -ATOM 4404 C CB . LYS A1 1 261 ? 6.342 10.959 -18.133 1.0 15.02 ? 251 A 1 -ATOM 4405 C CG . LYS A1 1 261 ? 7.073 9.762 -17.552 1.0 15.81 ? 251 A 1 -ATOM 4406 C CD . LYS A1 1 261 ? 8.047 9.12 -18.498 1.0 20.88 ? 251 A 1 -ATOM 4407 C CE . LYS A1 1 261 ? 9.182 10.024 -18.769 1.0 20.88 ? 251 A 1 -ATOM 4408 N NZ . LYS A1 1 261 ? 10.314 9.281 -19.448 1.0 19.32 ? 251 A 1 -ATOM 4409 H H . LYS A1 1 261 ? 4.247 9.844 -17.755 1.0 16.27 ? 251 A 1 -ATOM 4410 H HA . LYS A1 1 261 ? 5.611 11.565 -16.318 1.0 17.18 ? 251 A 1 -ATOM 4411 H HB2 . LYS A1 1 261 ? 5.956 10.698 -18.983 1.0 18.03 ? 251 A 1 -ATOM 4412 H HB3 . LYS A1 1 261 ? 6.984 11.674 -18.265 1.0 18.03 ? 251 A 1 -ATOM 4413 H HG2 . LYS A1 1 261 ? 7.569 10.05 -16.77 1.0 18.98 ? 251 A 1 -ATOM 4414 H HG3 . LYS A1 1 261 ? 6.42 9.09 -17.302 1.0 18.98 ? 251 A 1 -ATOM 4415 H HD2 . LYS A1 1 261 ? 8.391 8.303 -18.106 1.0 25.06 ? 251 A 1 -ATOM 4416 H HD3 . LYS A1 1 261 ? 7.602 8.924 -19.338 1.0 25.06 ? 251 A 1 -ATOM 4417 H HE2 . LYS A1 1 261 ? 8.892 10.742 -19.353 1.0 25.06 ? 251 A 1 -ATOM 4418 H HE3 . LYS A1 1 261 ? 9.511 10.389 -17.933 1.0 25.06 ? 251 A 1 -ATOM 4419 H HZ1 . LYS A1 1 261 ? 10.987 9.839 -19.616 1.0 23.19 ? 251 A 1 -ATOM 4420 H HZ2 . LYS A1 1 261 ? 10.606 8.625 -18.922 1.0 23.19 ? 251 A 1 -ATOM 4421 H HZ3 . LYS A1 1 261 ? 10.031 8.931 -20.216 1.0 23.19 ? 251 A 1 -ATOM 4422 N N . MET A1 1 262 ? 3.683 12.837 -18.483 1.0 13.93 ? 252 A 1 -ATOM 4423 C CA . MET A1 1 262 ? 3.015 14.096 -18.825 1.0 13.87 ? 252 A 1 -ATOM 4424 C C . MET A1 1 262 ? 2.304 14.695 -17.617 1.0 14.71 ? 252 A 1 -ATOM 4425 O O . MET A1 1 262 ? 2.336 15.924 -17.432 1.0 14.43 ? 252 A 1 -ATOM 4426 C CB . MET A1 1 262 ? 2.059 13.849 -20.0 1.0 13.79 ? 252 A 1 -ATOM 4427 C CG . MET A1 1 262 ? 2.76 13.679 -21.33 1.0 14.53 ? 252 A 1 -ATOM 4428 S SD . MET A1 1 262 ? 3.473 15.192 -21.987 1.0 15.0 ? 252 A 1 -ATOM 4429 C CE . MET A1 1 262 ? 2.023 16.098 -22.437 1.0 16.03 ? 252 A 1 -ATOM 4430 H H . MET A1 1 262 ? 3.37 12.146 -18.888 1.0 16.72 ? 252 A 1 -ATOM 4431 H HA . MET A1 1 262 ? 3.672 14.747 -19.117 1.0 16.65 ? 252 A 1 -ATOM 4432 H HB2 . MET A1 1 262 ? 1.553 13.04 -19.827 1.0 16.55 ? 252 A 1 -ATOM 4433 H HB3 . MET A1 1 262 ? 1.457 14.606 -20.078 1.0 16.55 ? 252 A 1 -ATOM 4434 H HG2 . MET A1 1 262 ? 3.48 13.038 -21.222 1.0 17.43 ? 252 A 1 -ATOM 4435 H HG3 . MET A1 1 262 ? 2.119 13.351 -21.979 1.0 17.43 ? 252 A 1 -ATOM 4436 H HE1 . MET A1 1 262 ? 2.288 16.919 -22.88 1.0 19.23 ? 252 A 1 -ATOM 4437 H HE2 . MET A1 1 262 ? 1.485 15.557 -23.036 1.0 19.23 ? 252 A 1 -ATOM 4438 H HE3 . MET A1 1 262 ? 1.518 16.304 -21.635 1.0 19.23 ? 252 A 1 -ATOM 4439 N N . VAL A1 1 263 ? 1.604 13.87 -16.821 1.0 13.26 ? 253 A 1 -ATOM 4440 C CA . VAL A1 1 263 ? 0.985 14.375 -15.58 1.0 13.81 ? 253 A 1 -ATOM 4441 C C . VAL A1 1 263 ? 2.043 14.928 -14.643 1.0 13.49 ? 253 A 1 -ATOM 4442 O O . VAL A1 1 263 ? 1.894 16.024 -14.087 1.0 13.56 ? 253 A 1 -ATOM 4443 C CB . VAL A1 1 263 ? 0.188 13.242 -14.914 1.0 14.09 ? 253 A 1 -ATOM 4444 C CG1 . VAL A1 1 263 ? -0.233 13.639 -13.49 1.0 14.35 ? 253 A 1 -ATOM 4445 C CG2 . VAL A1 1 263 ? -1.034 12.875 -15.759 1.0 14.68 ? 253 A 1 -ATOM 4446 H H . VAL A1 1 263 ? 1.475 13.033 -16.971 1.0 15.91 ? 253 A 1 -ATOM 4447 H HA . VAL A1 1 263 ? 0.38 15.101 -15.799 1.0 16.57 ? 253 A 1 -ATOM 4448 H HB . VAL A1 1 263 ? 0.755 12.458 -14.85 1.0 16.91 ? 253 A 1 -ATOM 4449 H HG11 . VAL A1 1 263 ? -0.955 13.059 -13.201 1.0 17.21 ? 253 A 1 -ATOM 4450 H HG12 . VAL A1 1 263 ? 0.528 13.541 -12.897 1.0 17.21 ? 253 A 1 -ATOM 4451 H HG13 . VAL A1 1 263 ? -0.532 14.562 -13.495 1.0 17.21 ? 253 A 1 -ATOM 4452 H HG21 . VAL A1 1 263 ? -1.513 12.152 -15.324 1.0 17.61 ? 253 A 1 -ATOM 4453 H HG22 . VAL A1 1 263 ? -1.608 13.652 -15.839 1.0 17.61 ? 253 A 1 -ATOM 4454 H HG23 . VAL A1 1 263 ? -0.736 12.592 -16.638 1.0 17.61 ? 253 A 1 -ATOM 4455 N N . ALA A1 1 264 ? 3.128 14.189 -14.478 1.0 13.24 ? 254 A 1 -ATOM 4456 C CA . ALA A1 1 264 ? 4.172 14.632 -13.558 1.0 13.89 ? 254 A 1 -ATOM 4457 C C . ALA A1 1 264 ? 4.764 15.96 -14.026 1.0 14.5 ? 254 A 1 -ATOM 4458 O O . ALA A1 1 264 ? 4.978 16.892 -13.219 1.0 14.29 ? 254 A 1 -ATOM 4459 C CB . ALA A1 1 264 ? 5.255 13.573 -13.458 1.0 15.04 ? 254 A 1 -ATOM 4460 H H . ALA A1 1 264 ? 3.285 13.442 -14.875 1.0 15.89 ? 254 A 1 -ATOM 4461 H HA . ALA A1 1 264 ? 3.79 14.757 -12.675 1.0 16.67 ? 254 A 1 -ATOM 4462 H HB1 . ALA A1 1 264 ? 5.94 13.878 -12.843 1.0 18.05 ? 254 A 1 -ATOM 4463 H HB2 . ALA A1 1 264 ? 4.861 12.748 -13.132 1.0 18.05 ? 254 A 1 -ATOM 4464 H HB3 . ALA A1 1 264 ? 5.639 13.431 -14.338 1.0 18.05 ? 254 A 1 -ATOM 4465 N N . LEU A1 1 265 ? 5.112 16.062 -15.325 1.0 14.35 ? 255 A 1 -ATOM 4466 C CA . LEU A1 1 265 ? 5.688 17.313 -15.832 1.0 14.21 ? 255 A 1 -ATOM 4467 C C . LEU A1 1 265 ? 4.687 18.453 -15.748 1.0 14.12 ? 255 A 1 -ATOM 4468 O O . LEU A1 1 265 ? 5.082 19.588 -15.47 1.0 15.27 ? 255 A 1 -ATOM 4469 C CB . LEU A1 1 265 ? 6.222 17.101 -17.248 1.0 15.48 ? 255 A 1 -ATOM 4470 C CG . LEU A1 1 265 ? 7.49 16.254 -17.29 1.0 15.3 ? 255 A 1 -ATOM 4471 C CD1 . LEU A1 1 265 ? 7.711 15.739 -18.719 1.0 17.88 ? 255 A 1 -ATOM 4472 C CD2 . LEU A1 1 265 ? 8.697 17.088 -16.824 1.0 16.75 ? 255 A 1 -ATOM 4473 H H . LEU A1 1 265 ? 5.026 15.439 -15.911 1.0 17.23 ? 255 A 1 -ATOM 4474 H HA . LEU A1 1 265 ? 6.449 17.574 -15.289 1.0 17.05 ? 255 A 1 -ATOM 4475 H HB2 . LEU A1 1 265 ? 5.543 16.649 -17.774 1.0 18.57 ? 255 A 1 -ATOM 4476 H HB3 . LEU A1 1 265 ? 6.425 17.964 -17.64 1.0 18.57 ? 255 A 1 -ATOM 4477 H HG . LEU A1 1 265 ? 7.403 15.494 -16.694 1.0 18.36 ? 255 A 1 -ATOM 4478 H HD11 . LEU A1 1 265 ? 8.523 15.209 -18.741 1.0 21.45 ? 255 A 1 -ATOM 4479 H HD12 . LEU A1 1 265 ? 6.952 15.194 -18.978 1.0 21.45 ? 255 A 1 -ATOM 4480 H HD13 . LEU A1 1 265 ? 7.793 16.497 -19.318 1.0 21.45 ? 255 A 1 -ATOM 4481 H HD21 . LEU A1 1 265 ? 9.503 16.558 -16.921 1.0 20.1 ? 255 A 1 -ATOM 4482 H HD22 . LEU A1 1 265 ? 8.758 17.887 -17.37 1.0 20.1 ? 255 A 1 -ATOM 4483 H HD23 . LEU A1 1 265 ? 8.572 17.332 -15.893 1.0 20.1 ? 255 A 1 -ATOM 4484 N N . THR A1 1 266 ? 3.412 18.175 -15.922 1.0 14.04 ? 256 A 1 -ATOM 4485 C CA . THR A1 1 266 ? 2.374 19.211 -15.77 1.0 13.62 ? 256 A 1 -ATOM 4486 C C . THR A1 1 266 ? 2.366 19.751 -14.346 1.0 14.93 ? 256 A 1 -ATOM 4487 O O . THR A1 1 266 ? 2.328 20.959 -14.133 1.0 14.95 ? 256 A 1 -ATOM 4488 C CB . THR A1 1 266 ? 0.998 18.698 -16.168 1.0 13.62 ? 256 A 1 -ATOM 4489 O OG1 . THR A1 1 266 ? 1.018 18.419 -17.578 1.0 14.42 ? 256 A 1 -ATOM 4490 C CG2 . THR A1 1 266 ? -0.05 19.773 -15.984 1.0 15.92 ? 256 A 1 -ATOM 4491 H H . THR A1 1 266 ? 3.105 17.398 -16.128 1.0 16.85 ? 256 A 1 -ATOM 4492 H HA . THR A1 1 266 ? 2.58 19.936 -16.38 1.0 16.34 ? 256 A 1 -ATOM 4493 H HB . THR A1 1 266 ? 0.781 17.921 -15.629 1.0 16.34 ? 256 A 1 -ATOM 4494 H HG1 . THR A1 1 266 ? 1.557 17.796 -17.74 1.0 17.31 ? 256 A 1 -ATOM 4495 H HG21 . THR A1 1 266 ? -0.883 19.499 -16.4 1.0 19.11 ? 256 A 1 -ATOM 4496 H HG22 . THR A1 1 266 ? -0.206 19.927 -15.039 1.0 19.11 ? 256 A 1 -ATOM 4497 H HG23 . THR A1 1 266 ? 0.248 20.601 -16.393 1.0 19.11 ? 256 A 1 -ATOM 4498 N N . ARG A1 1 267 ? 2.428 18.855 -13.343 1.0 13.97 ? 257 A 1 -ATOM 4499 C CA . ARG A1 1 267 ? 2.498 19.321 -11.961 1.0 13.87 ? 257 A 1 -ATOM 4500 C C . ARG A1 1 267 ? 3.753 20.138 -11.734 1.0 14.8 ? 257 A 1 -ATOM 4501 O O . ARG A1 1 267 ? 3.712 21.161 -11.035 1.0 15.04 ? 257 A 1 -ATOM 4502 C CB . ARG A1 1 267 ? 2.489 18.12 -11.028 1.0 14.28 ? 257 A 1 -ATOM 4503 C CG . ARG A1 1 267 ? 2.825 18.442 -9.536 1.0 15.31 ? 257 A 1 -ATOM 4504 C CD . ARG A1 1 267 ? 1.832 19.429 -8.87 1.0 14.48 ? 257 A 1 -ATOM 4505 N NE . ARG A1 1 267 ? 0.525 18.827 -8.778 1.0 13.76 ? 257 A 1 -ATOM 4506 C CZ . ARG A1 1 267 ? -0.638 19.473 -8.787 1.0 13.65 ? 257 A 1 -ATOM 4507 N NH1 . ARG A1 1 267 ? -0.639 20.806 -8.699 1.0 14.84 ? 257 A 1 -ATOM 4508 N NH2 . ARG A1 1 267 ? -1.791 18.808 -8.821 1.0 13.98 ? 257 A 1 -ATOM 4509 H H . ARG A1 1 267 ? 2.431 18.0 -13.44 1.0 16.77 ? 257 A 1 -ATOM 4510 H HA . ARG A1 1 267 ? 1.726 19.876 -11.767 1.0 16.64 ? 257 A 1 -ATOM 4511 H HB2 . ARG A1 1 267 ? 1.604 17.723 -11.048 1.0 17.14 ? 257 A 1 -ATOM 4512 H HB3 . ARG A1 1 267 ? 3.147 17.481 -11.343 1.0 17.14 ? 257 A 1 -ATOM 4513 H HG2 . ARG A1 1 267 ? 2.807 17.617 -9.027 1.0 18.37 ? 257 A 1 -ATOM 4514 H HG3 . ARG A1 1 267 ? 3.709 18.84 -9.494 1.0 18.37 ? 257 A 1 -ATOM 4515 H HD2 . ARG A1 1 267 ? 2.138 19.647 -7.976 1.0 17.38 ? 257 A 1 -ATOM 4516 H HD3 . ARG A1 1 267 ? 1.766 20.236 -9.404 1.0 17.38 ? 257 A 1 -ATOM 4517 H HE . ARG A1 1 267 ? 0.494 17.97 -8.711 1.0 16.51 ? 257 A 1 -ATOM 4518 H HH11 . ARG A1 1 267 ? 0.105 21.234 -8.638 1.0 17.81 ? 257 A 1 -ATOM 4519 H HH12 . ARG A1 1 267 ? -1.383 21.237 -8.704 1.0 17.81 ? 257 A 1 -ATOM 4520 H HH21 . ARG A1 1 267 ? -1.792 17.948 -8.838 1.0 16.78 ? 257 A 1 -ATOM 4521 H HH22 . ARG A1 1 267 ? -2.536 19.239 -8.826 1.0 16.78 ? 257 A 1 -ATOM 4522 N N . ILE A1 1 268 ? 4.902 19.687 -12.232 1.0 15.13 ? 258 A 1 -ATOM 4523 C CA . ILE A1 1 268 ? 6.131 20.463 -12.053 1.0 16.24 ? 258 A 1 -ATOM 4524 C C . ILE A1 1 268 ? 5.997 21.854 -12.673 1.0 17.21 ? 258 A 1 -ATOM 4525 O O . ILE A1 1 268 ? 6.405 22.869 -12.077 1.0 17.81 ? 258 A 1 -ATOM 4526 C CB . ILE A1 1 268 ? 7.312 19.658 -12.636 1.0 16.03 ? 258 A 1 -ATOM 4527 C CG1 . ILE A1 1 268 ? 7.561 18.431 -11.768 1.0 17.52 ? 258 A 1 -ATOM 4528 C CG2 . ILE A1 1 268 ? 8.602 20.509 -12.711 1.0 18.79 ? 258 A 1 -ATOM 4529 C CD1 . ILE A1 1 268 ? 8.348 17.322 -12.435 1.0 18.43 ? 258 A 1 -ATOM 4530 H H . ILE A1 1 268 ? 4.998 18.952 -12.667 1.0 18.15 ? 258 A 1 -ATOM 4531 H HA . ILE A1 1 268 ? 6.294 20.605 -11.108 1.0 19.49 ? 258 A 1 -ATOM 4532 H HB . ILE A1 1 268 ? 7.076 19.391 -13.538 1.0 19.24 ? 258 A 1 -ATOM 4533 H HG12 . ILE A1 1 268 ? 8.057 18.707 -10.982 1.0 21.02 ? 258 A 1 -ATOM 4534 H HG13 . ILE A1 1 268 ? 6.703 18.061 -11.506 1.0 21.02 ? 258 A 1 -ATOM 4535 H HG21 . ILE A1 1 268 ? 9.355 19.926 -12.892 1.0 22.54 ? 258 A 1 -ATOM 4536 H HG22 . ILE A1 1 268 ? 8.509 21.161 -13.424 1.0 22.54 ? 258 A 1 -ATOM 4537 H HG23 . ILE A1 1 268 ? 8.731 20.963 -11.864 1.0 22.54 ? 258 A 1 -ATOM 4538 H HD11 . ILE A1 1 268 ? 8.408 16.568 -11.827 1.0 22.12 ? 258 A 1 -ATOM 4539 H HD12 . ILE A1 1 268 ? 7.892 17.056 -13.248 1.0 22.12 ? 258 A 1 -ATOM 4540 H HD13 . ILE A1 1 268 ? 9.237 17.648 -12.646 1.0 22.12 ? 258 A 1 -ATOM 4541 N N . LEU A1 1 269 ? 5.433 21.932 -13.886 1.0 16.05 ? 259 A 1 -ATOM 4542 C CA . LEU A1 1 269 ? 5.29 23.21 -14.589 1.0 16.32 ? 259 A 1 -ATOM 4543 C C . LEU A1 1 269 ? 4.254 24.122 -13.943 1.0 17.65 ? 259 A 1 -ATOM 4544 O O . LEU A1 1 269 ? 4.425 25.359 -13.955 1.0 18.64 ? 259 A 1 -ATOM 4545 C CB . LEU A1 1 269 ? 4.925 22.948 -16.04 1.0 17.71 ? 259 A 1 -ATOM 4546 C CG . LEU A1 1 269 ? 6.033 22.365 -16.923 1.0 17.72 ? 259 A 1 -ATOM 4547 C CD1 . LEU A1 1 269 ? 5.445 21.846 -18.221 1.0 21.07 ? 259 A 1 -ATOM 4548 C CD2 . LEU A1 1 269 ? 7.041 23.408 -17.207 1.0 22.51 ? 259 A 1 -ATOM 4549 H H . LEU A1 1 269 ? 5.126 21.258 -14.323 1.0 19.26 ? 259 A 1 -ATOM 4550 H HA . LEU A1 1 269 ? 6.14 23.676 -14.557 1.0 19.58 ? 259 A 1 -ATOM 4551 H HB2 . LEU A1 1 269 ? 4.186 22.32 -16.057 1.0 21.25 ? 259 A 1 -ATOM 4552 H HB3 . LEU A1 1 269 ? 4.654 23.789 -16.44 1.0 21.25 ? 259 A 1 -ATOM 4553 H HG . LEU A1 1 269 ? 6.464 21.627 -16.464 1.0 21.27 ? 259 A 1 -ATOM 4554 H HD11 . LEU A1 1 269 ? 6.16 21.493 -18.773 1.0 25.28 ? 259 A 1 -ATOM 4555 H HD12 . LEU A1 1 269 ? 4.806 21.145 -18.02 1.0 25.28 ? 259 A 1 -ATOM 4556 H HD13 . LEU A1 1 269 ? 5.002 22.576 -18.681 1.0 25.28 ? 259 A 1 -ATOM 4557 H HD21 . LEU A1 1 269 ? 7.708 23.047 -17.812 1.0 27.02 ? 259 A 1 -ATOM 4558 H HD22 . LEU A1 1 269 ? 6.601 24.17 -17.616 1.0 27.02 ? 259 A 1 -ATOM 4559 H HD23 . LEU A1 1 269 ? 7.46 23.677 -16.374 1.0 27.02 ? 259 A 1 -ATOM 4560 N N . LEU A1 1 270 ? 3.195 23.54 -13.377 1.0 16.52 ? 260 A 1 -ATOM 4561 C CA . LEU A1 1 270 ? 2.019 24.28 -12.871 1.0 17.56 ? 260 A 1 -ATOM 4562 C C . LEU A1 1 270 ? 1.754 23.779 -11.456 1.0 15.42 ? 260 A 1 -ATOM 4563 O O . LEU A1 1 270 ? 0.823 23.03 -11.205 1.0 15.49 ? 260 A 1 -ATOM 4564 C CB . LEU A1 1 270 ? 0.792 24.032 -13.77 1.0 15.52 ? 260 A 1 -ATOM 4565 C CG . LEU A1 1 270 ? 0.903 24.625 -15.181 1.0 17.5 ? 260 A 1 -ATOM 4566 C CD1 . LEU A1 1 270 ? -0.326 24.214 -15.98 1.0 20.15 ? 260 A 1 -ATOM 4567 C CD2 . LEU A1 1 270 ? 1.095 26.14 -15.168 1.0 20.99 ? 260 A 1 -ATOM 4568 H H . LEU A1 1 270 ? 3.125 22.69 -13.267 1.0 19.82 ? 260 A 1 -ATOM 4569 H HA . LEU A1 1 270 ? 2.203 25.233 -12.851 1.0 21.07 ? 260 A 1 -ATOM 4570 H HB2 . LEU A1 1 270 ? 0.667 23.075 -13.863 1.0 18.62 ? 260 A 1 -ATOM 4571 H HB3 . LEU A1 1 270 ? 0.015 24.428 -13.346 1.0 18.62 ? 260 A 1 -ATOM 4572 H HG . LEU A1 1 270 ? 1.697 24.275 -15.615 1.0 21.0 ? 260 A 1 -ATOM 4573 H HD11 . LEU A1 1 270 ? -0.261 24.586 -16.873 1.0 24.18 ? 260 A 1 -ATOM 4574 H HD12 . LEU A1 1 270 ? -0.363 23.246 -16.027 1.0 24.18 ? 260 A 1 -ATOM 4575 H HD13 . LEU A1 1 270 ? -1.119 24.554 -15.537 1.0 24.18 ? 260 A 1 -ATOM 4576 H HD21 . LEU A1 1 270 ? 1.0 26.478 -16.072 1.0 25.19 ? 260 A 1 -ATOM 4577 H HD22 . LEU A1 1 270 ? 0.423 26.539 -14.594 1.0 25.19 ? 260 A 1 -ATOM 4578 H HD23 . LEU A1 1 270 ? 1.981 26.344 -14.83 1.0 25.19 ? 260 A 1 -ATOM 4579 N N . PRO A1 1 271 ? 2.549 24.241 -10.494 1.0 15.88 ? 261 A 1 -ATOM 4580 C CA . PRO A1 1 271 ? 2.541 23.61 -9.162 1.0 16.75 ? 261 A 1 -ATOM 4581 C C . PRO A1 1 271 ? 1.273 23.665 -8.382 1.0 15.59 ? 261 A 1 -ATOM 4582 O O . PRO A1 1 271 ? 1.025 22.774 -7.554 1.0 16.71 ? 261 A 1 -ATOM 4583 C CB . PRO A1 1 271 ? 3.66 24.344 -8.405 1.0 16.95 ? 261 A 1 -ATOM 4584 C CG . PRO A1 1 271 ? 4.611 24.736 -9.481 1.0 19.49 ? 261 A 1 -ATOM 4585 C CD . PRO A1 1 271 ? 3.702 25.144 -10.626 1.0 18.06 ? 261 A 1 -ATOM 4586 H HA . PRO A1 1 271 ? 2.761 22.676 -9.305 1.0 20.1 ? 261 A 1 -ATOM 4587 H HB2 . PRO A1 1 271 ? 3.302 25.123 -7.95 1.0 20.34 ? 261 A 1 -ATOM 4588 H HB3 . PRO A1 1 271 ? 4.078 23.748 -7.764 1.0 20.34 ? 261 A 1 -ATOM 4589 H HG2 . PRO A1 1 271 ? 5.163 25.477 -9.188 1.0 23.39 ? 261 A 1 -ATOM 4590 H HG3 . PRO A1 1 271 ? 5.17 23.982 -9.727 1.0 23.39 ? 261 A 1 -ATOM 4591 H HD2 . PRO A1 1 271 ? 3.427 26.069 -10.532 1.0 21.67 ? 261 A 1 -ATOM 4592 H HD3 . PRO A1 1 271 ? 4.145 25.014 -11.479 1.0 21.67 ? 261 A 1 -ATOM 4593 N N . ASP A1 1 272 ? 0.449 24.68 -8.574 1.0 17.36 ? 262 A 1 -ATOM 4594 C CA . ASP A1 1 272 ? -0.782 24.784 -7.796 1.0 17.2 ? 262 A 1 -ATOM 4595 C C . ASP A1 1 272 ? -2.019 24.507 -8.639 1.0 18.55 ? 262 A 1 -ATOM 4596 O O . ASP A1 1 272 ? -3.138 24.774 -8.223 1.0 16.96 ? 262 A 1 -ATOM 4597 C CB . ASP A1 1 272 ? -0.827 26.066 -6.951 1.0 19.97 ? 262 A 1 -ATOM 4598 C CG . ASP A1 1 272 ? -0.625 27.299 -7.75 1.0 21.56 ? 262 A 1 -ATOM 4599 O OD1 . ASP A1 1 272 ? -0.97 27.272 -8.956 1.0 20.83 ? 262 A 1 -ATOM 4600 O OD2 . ASP A1 1 272 ? -0.14 28.268 -7.168 1.0 21.98 ? 262 A 1 -ATOM 4601 H H . ASP A1 1 272 ? 0.576 25.314 -9.141 1.0 20.83 ? 262 A 1 -ATOM 4602 H HA . ASP A1 1 272 ? -0.792 24.091 -7.117 1.0 20.64 ? 262 A 1 -ATOM 4603 H HB2 . ASP A1 1 272 ? -1.694 26.129 -6.52 1.0 23.97 ? 262 A 1 -ATOM 4604 H HB3 . ASP A1 1 272 ? -0.126 26.027 -6.281 1.0 23.97 ? 262 A 1 -ATOM 4605 N N . SER A1 1 273 ? -1.862 23.908 -9.817 1.0 15.44 ? 263 A 1 -ATOM 4606 C CA . SER A1 1 273 ? -3.03 23.541 -10.638 1.0 15.24 ? 263 A 1 -ATOM 4607 C C . SER A1 1 273 ? -3.768 22.331 -10.08 1.0 14.61 ? 263 A 1 -ATOM 4608 O O . SER A1 1 273 ? -3.241 21.541 -9.285 1.0 15.13 ? 263 A 1 -ATOM 4609 C CB . SER A1 1 273 ? -2.596 23.224 -12.068 1.0 15.9 ? 263 A 1 -ATOM 4610 O OG . SER A1 1 273 ? -1.669 22.113 -12.132 1.0 18.77 ? 263 A 1 -ATOM 4611 H H . SER A1 1 273 ? -1.103 23.704 -10.166 1.0 18.52 ? 263 A 1 -ATOM 4612 H HA . SER A1 1 273 ? -3.642 24.294 -10.639 1.0 18.29 ? 263 A 1 -ATOM 4613 H HB2 . SER A1 1 273 ? -3.384 22.999 -12.587 1.0 19.08 ? 263 A 1 -ATOM 4614 H HB3 . SER A1 1 273 ? -2.165 24.009 -12.442 1.0 19.08 ? 263 A 1 -ATOM 4615 H HG . SER A1 1 273 ? -0.968 22.3 -11.708 1.0 22.53 ? 263 A 1 -ATOM 4616 N N . ASN A1 1 274 ? -5.001 22.185 -10.493 1.0 13.48 ? 264 A 1 -ATOM 4617 C CA . ASN A1 1 274 ? -5.797 21.014 -10.194 1.0 13.35 ? 264 A 1 -ATOM 4618 C C . ASN A1 1 274 ? -5.662 20.005 -11.318 1.0 13.33 ? 264 A 1 -ATOM 4619 O O . ASN A1 1 274 ? -5.957 20.312 -12.478 1.0 14.59 ? 264 A 1 -ATOM 4620 C CB . ASN A1 1 274 ? -7.253 21.39 -9.955 1.0 13.83 ? 264 A 1 -ATOM 4621 C CG . ASN A1 1 274 ? -7.478 21.941 -8.583 1.0 14.04 ? 264 A 1 -ATOM 4622 O OD1 . ASN A1 1 274 ? -6.833 21.52 -7.615 1.0 15.23 ? 264 A 1 -ATOM 4623 N ND2 . ASN A1 1 274 ? -8.408 22.881 -8.473 1.0 16.21 ? 264 A 1 -ATOM 4624 H H . ASN A1 1 274 ? -5.419 22.769 -10.966 1.0 16.18 ? 264 A 1 -ATOM 4625 H HA . ASN A1 1 274 ? -5.464 20.599 -9.383 1.0 16.02 ? 264 A 1 -ATOM 4626 H HB2 . ASN A1 1 274 ? -7.517 22.065 -10.599 1.0 16.59 ? 264 A 1 -ATOM 4627 H HB3 . ASN A1 1 274 ? -7.807 20.6 -10.057 1.0 16.59 ? 264 A 1 -ATOM 4628 H HD21 . ASN A1 1 274 ? -8.576 23.232 -7.705 1.0 19.46 ? 264 A 1 -ATOM 4629 H HD22 . ASN A1 1 274 ? -8.842 23.14 -9.168 1.0 19.46 ? 264 A 1 -ATOM 4630 N N . ILE A1 1 275 ? -5.185 18.819 -11.03 1.0 12.42 ? 265 A 1 -ATOM 4631 C CA . ILE A1 1 275 ? -4.823 17.802 -12.017 1.0 12.2 ? 265 A 1 -ATOM 4632 C C . ILE A1 1 275 ? -5.546 16.51 -11.678 1.0 12.56 ? 265 A 1 -ATOM 4633 O O . ILE A1 1 275 ? -5.169 15.833 -10.706 1.0 13.06 ? 265 A 1 -ATOM 4634 C CB . ILE A1 1 275 ? -3.33 17.593 -12.048 1.0 12.96 ? 265 A 1 -ATOM 4635 C CG1 . ILE A1 1 275 ? -2.592 18.86 -12.41 1.0 14.75 ? 265 A 1 -ATOM 4636 C CG2 . ILE A1 1 275 ? -2.972 16.505 -13.067 1.0 15.01 ? 265 A 1 -ATOM 4637 C CD1 . ILE A1 1 275 ? -1.072 18.794 -12.379 1.0 15.24 ? 265 A 1 -ATOM 4638 H H . ILE A1 1 275 ? -5.048 18.552 -10.225 1.0 14.91 ? 265 A 1 -ATOM 4639 H HA . ILE A1 1 275 ? -5.115 18.092 -12.895 1.0 14.64 ? 265 A 1 -ATOM 4640 H HB . ILE A1 1 275 ? -3.062 17.324 -11.156 1.0 15.55 ? 265 A 1 -ATOM 4641 H HG12 . ILE A1 1 275 ? -2.848 19.11 -13.312 1.0 17.7 ? 265 A 1 -ATOM 4642 H HG13 . ILE A1 1 275 ? -2.859 19.553 -11.786 1.0 17.7 ? 265 A 1 -ATOM 4643 H HG21 . ILE A1 1 275 ? -2.006 16.449 -13.143 1.0 18.01 ? 265 A 1 -ATOM 4644 H HG22 . ILE A1 1 275 ? -3.329 15.657 -12.762 1.0 18.01 ? 265 A 1 -ATOM 4645 H HG23 . ILE A1 1 275 ? -3.359 16.737 -13.926 1.0 18.01 ? 265 A 1 -ATOM 4646 H HD11 . ILE A1 1 275 ? -0.715 19.696 -12.406 1.0 18.28 ? 265 A 1 -ATOM 4647 H HD12 . ILE A1 1 275 ? -0.791 18.352 -11.563 1.0 18.28 ? 265 A 1 -ATOM 4648 H HD13 . ILE A1 1 275 ? -0.762 18.293 -13.15 1.0 18.28 ? 265 A 1 -ATOM 4649 N N . PRO A1 1 276 ? -6.57 16.092 -12.409 1.0 12.3 ? 266 A 1 -ATOM 4650 C CA . PRO A1 1 276 ? -7.219 14.814 -12.132 1.0 13.02 ? 266 A 1 -ATOM 4651 C C . PRO A1 1 276 ? -6.368 13.626 -12.5 1.0 13.21 ? 266 A 1 -ATOM 4652 O O . PRO A1 1 276 ? -5.577 13.651 -13.441 1.0 13.49 ? 266 A 1 -ATOM 4653 C CB . PRO A1 1 276 ? -8.5 14.838 -12.954 1.0 14.14 ? 266 A 1 -ATOM 4654 C CG . PRO A1 1 276 ? -8.188 15.795 -14.025 1.0 16.17 ? 266 A 1 -ATOM 4655 C CD . PRO A1 1 276 ? -7.327 16.894 -13.375 1.0 13.75 ? 266 A 1 -ATOM 4656 H HA . PRO A1 1 276 ? -7.44 14.774 -11.188 1.0 15.62 ? 266 A 1 -ATOM 4657 H HB2 . PRO A1 1 276 ? -8.689 13.956 -13.311 1.0 16.96 ? 266 A 1 -ATOM 4658 H HB3 . PRO A1 1 276 ? -9.244 15.143 -12.411 1.0 16.96 ? 266 A 1 -ATOM 4659 H HG2 . PRO A1 1 276 ? -7.696 15.347 -14.73 1.0 19.41 ? 266 A 1 -ATOM 4660 H HG3 . PRO A1 1 276 ? -9.01 16.168 -14.379 1.0 19.41 ? 266 A 1 -ATOM 4661 H HD2 . PRO A1 1 276 ? -6.742 17.319 -14.022 1.0 16.5 ? 266 A 1 -ATOM 4662 H HD3 . PRO A1 1 276 ? -7.874 17.562 -12.933 1.0 16.5 ? 266 A 1 -ATOM 4663 N N . ALA A1 1 277 ? -6.585 12.539 -11.795 1.0 12.69 ? 267 A 1 -ATOM 4664 C CA . ALA A1 1 277 ? -6.215 11.204 -12.226 1.0 11.97 ? 267 A 1 -ATOM 4665 C C . ALA A1 1 277 ? -7.419 10.72 -13.015 1.0 12.43 ? 267 A 1 -ATOM 4666 O O . ALA A1 1 277 ? -8.467 10.375 -12.44 1.0 13.7 ? 267 A 1 -ATOM 4667 C CB . ALA A1 1 277 ? -5.963 10.325 -10.998 1.0 13.65 ? 267 A 1 -ATOM 4668 H H . ALA A1 1 277 ? -6.964 12.544 -11.023 1.0 15.23 ? 267 A 1 -ATOM 4669 H HA . ALA A1 1 277 ? -5.415 11.192 -12.774 1.0 14.37 ? 267 A 1 -ATOM 4670 H HB1 . ALA A1 1 277 ? -5.711 9.436 -11.292 1.0 16.38 ? 267 A 1 -ATOM 4671 H HB2 . ALA A1 1 277 ? -5.247 10.715 -10.472 1.0 16.38 ? 267 A 1 -ATOM 4672 H HB3 . ALA A1 1 277 ? -6.775 10.281 -10.469 1.0 16.38 ? 267 A 1 -ATOM 4673 N N . THR A1 1 278 ? -7.32 10.784 -14.353 1.0 12.91 ? 268 A 1 -ATOM 4674 C CA . THR A1 1 278 ? -8.499 10.678 -15.205 1.0 12.95 ? 268 A 1 -ATOM 4675 C C . THR A1 1 278 ? -9.029 9.252 -15.281 1.0 13.14 ? 268 A 1 -ATOM 4676 O O . THR A1 1 278 ? -8.33 8.261 -15.088 1.0 13.18 ? 268 A 1 -ATOM 4677 C CB . THR A1 1 278 ? -8.23 11.27 -16.591 1.0 13.72 ? 268 A 1 -ATOM 4678 O OG1 . THR A1 1 278 ? -7.208 10.503 -17.195 1.0 14.72 ? 268 A 1 -ATOM 4679 C CG2 A THR A1 1 278 ? -7.936 12.732 -16.527 1.0 14.33 ? 268 A 1 -ATOM 4680 H H . THR A1 1 278 ? -6.582 10.888 -14.783 1.0 15.49 ? 268 A 1 -ATOM 4681 H HA . THR A1 1 278 ? -9.214 11.202 -14.812 1.0 15.54 ? 268 A 1 -ATOM 4682 H HB A THR A1 1 278 ? -9.017 11.224 -17.157 1.0 16.47 ? 268 A 1 -ATOM 4683 H HG1 . THR A1 1 278 ? -6.983 10.85 -17.926 1.0 17.66 ? 268 A 1 -ATOM 4684 H HG21 A THR A1 1 278 ? -8.334 13.184 -17.286 1.0 17.19 ? 268 A 1 -ATOM 4685 H HG22 A THR A1 1 278 ? -8.3 13.108 -15.71 1.0 17.19 ? 268 A 1 -ATOM 4686 H HG23 A THR A1 1 278 ? -6.977 12.878 -16.54 1.0 17.19 ? 268 A 1 -ATOM 4687 N N . THR A1 1 279 ? -10.306 9.189 -15.712 1.0 13.77 ? 269 A 1 -ATOM 4688 C CA . THR A1 1 279 ? -10.97 7.892 -15.956 1.0 14.71 ? 269 A 1 -ATOM 4689 C C . THR A1 1 279 ? -10.146 7.031 -16.892 1.0 15.36 ? 269 A 1 -ATOM 4690 O O . THR A1 1 279 ? -10.026 5.835 -16.695 1.0 15.99 ? 269 A 1 -ATOM 4691 C CB . THR A1 1 279 ? -12.325 8.141 -16.621 1.0 16.27 ? 269 A 1 -ATOM 4692 O OG1 . THR A1 1 279 ? -12.985 9.243 -16.025 1.0 16.63 ? 269 A 1 -ATOM 4693 C CG2 . THR A1 1 279 ? -13.195 6.909 -16.56 1.0 18.38 ? 269 A 1 -ATOM 4694 H H . THR A1 1 279 ? -10.803 9.874 -15.868 1.0 16.53 ? 269 A 1 -ATOM 4695 H HA . THR A1 1 279 ? -11.088 7.436 -15.108 1.0 17.65 ? 269 A 1 -ATOM 4696 H HB . THR A1 1 279 ? -12.176 8.351 -17.557 1.0 19.53 ? 269 A 1 -ATOM 4697 H HG1 . THR A1 1 279 ? -13.782 9.278 -16.29 1.0 19.95 ? 269 A 1 -ATOM 4698 H HG21 . THR A1 1 279 ? -14.063 7.095 -16.952 1.0 22.05 ? 269 A 1 -ATOM 4699 H HG22 . THR A1 1 279 ? -12.778 6.183 -17.05 1.0 22.05 ? 269 A 1 -ATOM 4700 H HG23 . THR A1 1 279 ? -13.319 6.635 -15.638 1.0 22.05 ? 269 A 1 -ATOM 4701 N N . ALA A1 1 280 ? -9.55 7.633 -17.928 1.0 14.55 ? 270 A 1 -ATOM 4702 C CA . ALA A1 1 280 ? -8.787 6.849 -18.891 1.0 15.65 ? 270 A 1 -ATOM 4703 C C . ALA A1 1 280 ? -7.552 6.229 -18.275 1.0 16.81 ? 270 A 1 -ATOM 4704 O O . ALA A1 1 280 ? -7.164 5.137 -18.647 1.0 16.53 ? 270 A 1 -ATOM 4705 C CB . ALA A1 1 280 ? -8.468 7.765 -20.079 1.0 15.62 ? 270 A 1 -ATOM 4706 H H . ALA A1 1 280 ? -9.574 8.477 -18.089 1.0 17.47 ? 270 A 1 -ATOM 4707 H HA . ALA A1 1 280 ? -9.306 6.097 -19.217 1.0 18.78 ? 270 A 1 -ATOM 4708 H HB1 . ALA A1 1 280 ? -7.966 7.262 -20.74 1.0 18.74 ? 270 A 1 -ATOM 4709 H HB2 . ALA A1 1 280 ? -9.299 8.082 -20.466 1.0 18.74 ? 270 A 1 -ATOM 4710 H HB3 . ALA A1 1 280 ? -7.941 8.517 -19.766 1.0 18.74 ? 270 A 1 -ATOM 4711 N N . MET A1 1 281 ? -6.944 6.887 -17.29 1.0 15.76 ? 271 A 1 -ATOM 4712 C CA . MET A1 1 281 ? -5.834 6.261 -16.569 1.0 15.39 ? 271 A 1 -ATOM 4713 C C . MET A1 1 281 ? -6.272 5.049 -15.769 1.0 15.97 ? 271 A 1 -ATOM 4714 O O . MET A1 1 281 ? -5.547 4.048 -15.692 1.0 18.64 ? 271 A 1 -ATOM 4715 C CB . MET A1 1 281 ? -5.153 7.28 -15.638 1.0 15.63 ? 271 A 1 -ATOM 4716 C CG . MET A1 1 281 ? -4.448 8.412 -16.331 1.0 17.55 ? 271 A 1 -ATOM 4717 S SD . MET A1 1 281 ? -3.069 7.807 -17.359 1.0 16.67 ? 271 A 1 -ATOM 4718 C CE . MET A1 1 281 ? -1.645 8.216 -16.337 1.0 16.3 ? 271 A 1 -ATOM 4719 H H . MET A1 1 281 ? -7.149 7.679 -17.024 1.0 18.91 ? 271 A 1 -ATOM 4720 H HA . MET A1 1 281 ? -5.189 5.974 -17.234 1.0 18.47 ? 271 A 1 -ATOM 4721 H HB2 . MET A1 1 281 ? -5.831 7.67 -15.063 1.0 18.75 ? 271 A 1 -ATOM 4722 H HB3 . MET A1 1 281 ? -4.493 6.813 -15.103 1.0 18.75 ? 271 A 1 -ATOM 4723 H HG2 . MET A1 1 281 ? -5.076 8.878 -16.905 1.0 21.07 ? 271 A 1 -ATOM 4724 H HG3 . MET A1 1 281 ? -4.09 9.022 -15.667 1.0 21.07 ? 271 A 1 -ATOM 4725 H HE1 . MET A1 1 281 ? -0.838 7.918 -16.785 1.0 19.56 ? 271 A 1 -ATOM 4726 H HE2 . MET A1 1 281 ? -1.616 9.176 -16.206 1.0 19.56 ? 271 A 1 -ATOM 4727 H HE3 . MET A1 1 281 ? -1.733 7.768 -15.48 1.0 19.56 ? 271 A 1 -ATOM 4728 N N . GLY A1 1 282 ? -7.483 5.109 -15.224 1.0 16.45 ? 272 A 1 -ATOM 4729 C CA . GLY A1 1 282 ? -8.024 3.945 -14.527 1.0 17.01 ? 272 A 1 -ATOM 4730 C C . GLY A1 1 282 ? -8.476 2.835 -15.436 1.0 18.4 ? 272 A 1 -ATOM 4731 O O . GLY A1 1 282 ? -8.555 1.675 -15.03 1.0 20.56 ? 272 A 1 -ATOM 4732 H H . GLY A1 1 282 ? -8.001 5.795 -15.242 1.0 19.75 ? 272 A 1 -ATOM 4733 H HA2 . GLY A1 1 282 ? -7.342 3.588 -13.937 1.0 20.41 ? 272 A 1 -ATOM 4734 H HA3 . GLY A1 1 282 ? -8.787 4.224 -13.996 1.0 20.41 ? 272 A 1 -ATOM 4735 N N . THR A1 1 283 ? -8.795 3.183 -16.676 1.0 17.17 ? 273 A 1 -ATOM 4736 C CA . THR A1 1 283 ? -9.219 2.19 -17.66 1.0 16.82 ? 273 A 1 -ATOM 4737 C C . THR A1 1 283 ? -8.025 1.422 -18.183 1.0 19.02 ? 273 A 1 -ATOM 4738 O O . THR A1 1 283 ? -8.078 0.201 -18.341 1.0 21.4 ? 273 A 1 -ATOM 4739 C CB . THR A1 1 283 ? -9.925 2.91 -18.803 1.0 16.62 ? 273 A 1 -ATOM 4740 O OG1 . THR A1 1 283 ? -11.087 3.569 -18.318 1.0 18.85 ? 273 A 1 -ATOM 4741 C CG2 . THR A1 1 283 ? -10.329 1.963 -19.891 1.0 18.97 ? 273 A 1 -ATOM 4742 H H . THR A1 1 283 ? -8.776 3.989 -16.976 1.0 20.61 ? 273 A 1 -ATOM 4743 H HA . THR A1 1 283 ? -9.837 1.558 -17.26 1.0 20.19 ? 273 A 1 -ATOM 4744 H HB . THR A1 1 283 ? -9.308 3.557 -19.179 1.0 19.94 ? 273 A 1 -ATOM 4745 H HG1 . THR A1 1 283 ? -10.872 4.148 -17.75 1.0 22.62 ? 273 A 1 -ATOM 4746 H HG21 . THR A1 1 283 ? -10.953 2.397 -20.494 1.0 22.76 ? 273 A 1 -ATOM 4747 H HG22 . THR A1 1 283 ? -9.549 1.683 -20.394 1.0 22.76 ? 273 A 1 -ATOM 4748 H HG23 . THR A1 1 283 ? -10.754 1.18 -19.508 1.0 22.76 ? 273 A 1 -ATOM 4749 N N . ILE A1 1 284 ? -6.925 2.108 -18.44 1.0 18.39 ? 274 A 1 -ATOM 4750 C CA . ILE A1 1 284 ? -5.809 1.475 -19.127 1.0 19.59 ? 274 A 1 -ATOM 4751 C C . ILE A1 1 284 ? -5.02 0.531 -18.257 1.0 18.37 ? 274 A 1 -ATOM 4752 O O . ILE A1 1 284 ? -4.469 -0.461 -18.754 1.0 21.77 ? 274 A 1 -ATOM 4753 C CB . ILE A1 1 284 ? -4.92 2.544 -19.81 1.0 19.92 ? 274 A 1 -ATOM 4754 C CG1 . ILE A1 1 284 ? -3.993 1.922 -20.824 1.0 21.16 ? 274 A 1 -ATOM 4755 C CG2 . ILE A1 1 284 ? -4.126 3.351 -18.818 1.0 19.22 ? 274 A 1 -ATOM 4756 C CD1 . ILE A1 1 284 ? -3.238 2.961 -21.651 1.0 24.07 ? 274 A 1 -ATOM 4757 H H . ILE A1 1 284 ? -6.797 2.932 -18.23 1.0 22.06 ? 274 A 1 -ATOM 4758 H HA . ILE A1 1 284 ? -6.186 0.914 -19.822 1.0 23.51 ? 274 A 1 -ATOM 4759 H HB . ILE A1 1 284 ? -5.528 3.146 -20.266 1.0 23.91 ? 274 A 1 -ATOM 4760 H HG12 . ILE A1 1 284 ? -3.339 1.375 -20.36 1.0 25.4 ? 274 A 1 -ATOM 4761 H HG13 . ILE A1 1 284 ? -4.512 1.374 -21.432 1.0 25.4 ? 274 A 1 -ATOM 4762 H HG21 . ILE A1 1 284 ? -3.789 4.147 -19.257 1.0 23.06 ? 274 A 1 -ATOM 4763 H HG22 . ILE A1 1 284 ? -4.703 3.599 -18.079 1.0 23.06 ? 274 A 1 -ATOM 4764 H HG23 . ILE A1 1 284 ? -3.386 2.814 -18.494 1.0 23.06 ? 274 A 1 -ATOM 4765 H HD11 . ILE A1 1 284 ? -2.759 2.511 -22.365 1.0 28.88 ? 274 A 1 -ATOM 4766 H HD12 . ILE A1 1 284 ? -3.874 3.59 -22.026 1.0 28.88 ? 274 A 1 -ATOM 4767 H HD13 . ILE A1 1 284 ? -2.611 3.428 -21.076 1.0 28.88 ? 274 A 1 -ATOM 4768 N N . VAL A1 1 285 ? -4.88 0.779 -16.956 1.0 17.22 ? 275 A 1 -ATOM 4769 C CA . VAL A1 1 285 ? -4.087 -0.03 -16.051 1.0 17.72 ? 275 A 1 -ATOM 4770 C C . VAL A1 1 285 ? -4.913 -0.22 -14.789 1.0 17.65 ? 275 A 1 -ATOM 4771 O O . VAL A1 1 285 ? -5.488 0.773 -14.277 1.0 17.53 ? 275 A 1 -ATOM 4772 C CB . VAL A1 1 285 ? -2.771 0.685 -15.701 1.0 18.41 ? 275 A 1 -ATOM 4773 C CG1 . VAL A1 1 285 ? -2.102 0.093 -14.477 1.0 25.1 ? 275 A 1 -ATOM 4774 C CG2 . VAL A1 1 285 ? -1.83 0.615 -16.913 1.0 22.38 ? 275 A 1 -ATOM 4775 H H . VAL A1 1 285 ? -5.255 1.444 -16.561 1.0 20.66 ? 275 A 1 -ATOM 4776 H HA . VAL A1 1 285 ? -3.886 -0.888 -16.457 1.0 21.26 ? 275 A 1 -ATOM 4777 H HB . VAL A1 1 285 ? -2.969 1.61 -15.485 1.0 22.09 ? 275 A 1 -ATOM 4778 H HG11 . VAL A1 1 285 ? -1.174 0.374 -14.458 1.0 30.12 ? 275 A 1 -ATOM 4779 H HG12 . VAL A1 1 285 ? -2.56 0.409 -13.682 1.0 30.12 ? 275 A 1 -ATOM 4780 H HG13 . VAL A1 1 285 ? -2.153 -0.874 -14.526 1.0 30.12 ? 275 A 1 -ATOM 4781 H HG21 . VAL A1 1 285 ? -1.016 1.101 -16.71 1.0 26.86 ? 275 A 1 -ATOM 4782 H HG22 . VAL A1 1 285 ? -1.622 -0.314 -17.099 1.0 26.86 ? 275 A 1 -ATOM 4783 H HG23 . VAL A1 1 285 ? -2.271 1.014 -17.679 1.0 26.86 ? 275 A 1 -ATOM 4784 N N . PRO A1 1 286 ? -4.981 -1.429 -14.225 1.0 16.97 ? 276 A 1 -ATOM 4785 C CA . PRO A1 1 286 ? -5.651 -1.585 -12.928 1.0 18.17 ? 276 A 1 -ATOM 4786 C C . PRO A1 1 286 ? -4.927 -0.816 -11.844 1.0 19.02 ? 276 A 1 -ATOM 4787 O O . PRO A1 1 286 ? -3.734 -0.981 -11.665 1.0 23.02 ? 276 A 1 -ATOM 4788 C CB . PRO A1 1 286 ? -5.608 -3.107 -12.683 1.0 21.38 ? 276 A 1 -ATOM 4789 C CG . PRO A1 1 286 ? -5.284 -3.711 -13.989 1.0 24.09 ? 276 A 1 -ATOM 4790 C CD . PRO A1 1 286 ? -4.459 -2.724 -14.731 1.0 18.15 ? 276 A 1 -ATOM 4791 H HA . PRO A1 1 286 ? -6.573 -1.29 -12.98 1.0 21.8 ? 276 A 1 -ATOM 4792 H HB2 . PRO A1 1 286 ? -4.923 -3.314 -12.028 1.0 25.66 ? 276 A 1 -ATOM 4793 H HB3 . PRO A1 1 286 ? -6.472 -3.412 -12.366 1.0 25.66 ? 276 A 1 -ATOM 4794 H HG2 . PRO A1 1 286 ? -4.788 -4.533 -13.85 1.0 28.91 ? 276 A 1 -ATOM 4795 H HG3 . PRO A1 1 286 ? -6.105 -3.897 -14.471 1.0 28.91 ? 276 A 1 -ATOM 4796 H HD2 . PRO A1 1 286 ? -3.518 -2.827 -14.519 1.0 21.78 ? 276 A 1 -ATOM 4797 H HD3 . PRO A1 1 286 ? -4.595 -2.805 -15.688 1.0 21.78 ? 276 A 1 -ATOM 4798 N N . GLY A1 1 287 ? -5.652 0.048 -11.162 1.0 17.95 ? 277 A 1 -ATOM 4799 C CA . GLY A1 1 287 ? -5.012 0.923 -10.206 1.0 18.93 ? 277 A 1 -ATOM 4800 C C . GLY A1 1 287 ? -4.386 2.16 -10.8 1.0 15.41 ? 277 A 1 -ATOM 4801 O O . GLY A1 1 287 ? -3.592 2.852 -10.158 1.0 17.62 ? 277 A 1 -ATOM 4802 H H . GLY A1 1 287 ? -6.504 0.145 -11.233 1.0 21.54 ? 277 A 1 -ATOM 4803 H HA2 . GLY A1 1 287 ? -5.673 1.209 -9.556 1.0 22.72 ? 277 A 1 -ATOM 4804 H HA3 . GLY A1 1 287 ? -4.314 0.428 -9.751 1.0 22.72 ? 277 A 1 -ATOM 4805 N N . GLY A1 1 288 ? -4.659 2.458 -12.065 1.0 15.63 ? 278 A 1 -ATOM 4806 C CA . GLY A1 1 288 ? -4.02 3.559 -12.74 1.0 16.22 ? 278 A 1 -ATOM 4807 C C . GLY A1 1 288 ? -4.262 4.906 -12.096 1.0 14.21 ? 278 A 1 -ATOM 4808 O O . GLY A1 1 288 ? -3.377 5.749 -12.11 1.0 13.68 ? 278 A 1 -ATOM 4809 H H . GLY A1 1 288 ? -5.219 2.029 -12.556 1.0 18.76 ? 278 A 1 -ATOM 4810 H HA2 . GLY A1 1 288 ? -3.062 3.405 -12.756 1.0 19.46 ? 278 A 1 -ATOM 4811 H HA3 . GLY A1 1 288 ? -4.348 3.602 -13.652 1.0 19.46 ? 278 A 1 -ATOM 4812 N N . ARG A1 1 289 ? -5.482 5.131 -11.585 1.0 14.48 ? 279 A 1 -ATOM 4813 C CA A ARG A1 1 289 ? -5.746 6.421 -10.943 0.57 14.11 ? 279 A 1 -ATOM 4814 C CA B ARG A1 1 289 ? -5.74 6.42 -10.944 0.43 14.27 ? 279 A 1 -ATOM 4815 C C . ARG A1 1 289 ? -4.972 6.562 -9.641 1.0 14.43 ? 279 A 1 -ATOM 4816 O O . ARG A1 1 289 ? -4.432 7.636 -9.374 1.0 15.23 ? 279 A 1 -ATOM 4817 C CB A ARG A1 1 289 ? -7.232 6.643 -10.706 0.57 14.24 ? 279 A 1 -ATOM 4818 C CB B ARG A1 1 289 ? -7.223 6.63 -10.715 0.43 14.34 ? 279 A 1 -ATOM 4819 C CG A ARG A1 1 289 ? -8.029 6.699 -12.008 0.57 16.03 ? 279 A 1 -ATOM 4820 C CG B ARG A1 1 289 ? -7.964 6.825 -12.021 0.43 16.28 ? 279 A 1 -ATOM 4821 C CD A ARG A1 1 289 ? -9.373 7.418 -11.878 0.57 23.42 ? 279 A 1 -ATOM 4822 C CD B ARG A1 1 289 ? -9.471 6.736 -11.847 0.43 15.1 ? 279 A 1 -ATOM 4823 N NE A ARG A1 1 289 ? -10.31 6.602 -11.128 0.57 23.58 ? 279 A 1 -ATOM 4824 N NE B ARG A1 1 289 ? -9.882 5.459 -11.288 0.43 18.37 ? 279 A 1 -ATOM 4825 C CZ A ARG A1 1 289 ? -11.62 6.844 -11.048 0.57 44.84 ? 279 A 1 -ATOM 4826 C CZ B ARG A1 1 289 ? -11.122 5.174 -10.918 0.43 45.85 ? 279 A 1 -ATOM 4827 N NH1 A ARG A1 1 289 ? -12.198 7.892 -11.688 0.57 20.62 ? 279 A 1 -ATOM 4828 N NH1 B ARG A1 1 289 ? -12.067 6.097 -11.035 0.43 43.16 ? 279 A 1 -ATOM 4829 N NH2 A ARG A1 1 289 ? -12.345 6.003 -10.326 0.57 26.12 ? 279 A 1 -ATOM 4830 N NH2 B ARG A1 1 289 ? -11.403 3.974 -10.421 0.43 44.27 ? 279 A 1 -ATOM 4831 H H A ARG A1 1 289 ? -6.141 4.579 -11.598 0.57 17.38 ? 279 A 1 -ATOM 4832 H H B ARG A1 1 289 ? -6.142 4.58 -11.597 0.43 17.38 ? 279 A 1 -ATOM 4833 H HA A ARG A1 1 289 ? -5.454 7.115 -11.554 0.57 16.93 ? 279 A 1 -ATOM 4834 H HA B ARG A1 1 289 ? -5.44 7.117 -11.548 0.43 17.12 ? 279 A 1 -ATOM 4835 H HB2 A ARG A1 1 289 ? -7.58 5.912 -10.171 0.57 17.09 ? 279 A 1 -ATOM 4836 H HB2 B ARG A1 1 289 ? -7.591 5.853 -10.268 0.43 17.21 ? 279 A 1 -ATOM 4837 H HB3 A ARG A1 1 289 ? -7.357 7.484 -10.24 0.57 17.09 ? 279 A 1 -ATOM 4838 H HB3 B ARG A1 1 289 ? -7.354 7.421 -10.169 0.43 17.21 ? 279 A 1 -ATOM 4839 H HG2 A ARG A1 1 289 ? -7.506 7.17 -12.675 0.57 19.23 ? 279 A 1 -ATOM 4840 H HG2 B ARG A1 1 289 ? -7.754 7.702 -12.379 0.43 19.54 ? 279 A 1 -ATOM 4841 H HG3 A ARG A1 1 289 ? -8.207 5.793 -12.305 0.57 19.23 ? 279 A 1 -ATOM 4842 H HG3 B ARG A1 1 289 ? -7.692 6.137 -12.648 0.43 19.54 ? 279 A 1 -ATOM 4843 H HD2 A ARG A1 1 289 ? -9.249 8.258 -11.409 0.57 28.1 ? 279 A 1 -ATOM 4844 H HD2 B ARG A1 1 289 ? -9.764 7.438 -11.245 0.43 18.12 ? 279 A 1 -ATOM 4845 H HD3 A ARG A1 1 289 ? -9.741 7.582 -12.76 0.57 28.1 ? 279 A 1 -ATOM 4846 H HD3 B ARG A1 1 289 ? -9.898 6.84 -12.711 0.43 18.12 ? 279 A 1 -ATOM 4847 H HE A ARG A1 1 289 ? -10.001 5.917 -10.708 0.57 28.3 ? 279 A 1 -ATOM 4848 H HE B ARG A1 1 289 ? -9.283 4.85 -11.193 0.43 22.05 ? 279 A 1 -ATOM 4849 H HH11 A ARG A1 1 289 ? -11.718 8.423 -12.163 0.57 24.74 ? 279 A 1 -ATOM 4850 H HH11 B ARG A1 1 289 ? -11.874 6.873 -11.35 0.43 51.79 ? 279 A 1 -ATOM 4851 H HH12 A ARG A1 1 289 ? -13.045 8.024 -11.618 0.57 24.74 ? 279 A 1 -ATOM 4852 H HH12 B ARG A1 1 289 ? -12.874 5.918 -10.796 0.43 51.79 ? 279 A 1 -ATOM 4853 H HH21 A ARG A1 1 289 ? -11.967 5.337 -9.935 0.57 31.34 ? 279 A 1 -ATOM 4854 H HH21 B ARG A1 1 289 ? -10.782 3.384 -10.342 0.43 53.12 ? 279 A 1 -ATOM 4855 H HH22 A ARG A1 1 289 ? -13.193 6.123 -10.248 0.57 31.34 ? 279 A 1 -ATOM 4856 H HH22 B ARG A1 1 289 ? -12.207 3.786 -10.18 0.43 53.12 ? 279 A 1 -ATOM 4857 N N . GLU A1 1 290 ? -4.871 5.486 -8.856 1.0 14.78 ? 280 A 1 -ATOM 4858 C CA . GLU A1 1 290 ? -4.111 5.522 -7.613 1.0 14.08 ? 280 A 1 -ATOM 4859 C C . GLU A1 1 290 ? -2.667 5.828 -7.892 1.0 15.54 ? 280 A 1 -ATOM 4860 O O . GLU A1 1 290 ? -2.045 6.616 -7.184 1.0 16.11 ? 280 A 1 -ATOM 4861 C CB . GLU A1 1 290 ? -4.247 4.158 -6.967 1.0 16.99 ? 280 A 1 -ATOM 4862 C CG . GLU A1 1 290 ? -5.625 3.863 -6.447 1.0 20.6 ? 280 A 1 -ATOM 4863 C CD . GLU A1 1 290 ? -6.556 3.107 -7.415 1.0 31.79 ? 280 A 1 -ATOM 4864 O OE1 . GLU A1 1 290 ? -6.497 3.265 -8.668 1.0 21.47 ? 280 A 1 -ATOM 4865 O OE2 . GLU A1 1 290 ? -7.387 2.336 -6.898 1.0 25.41 ? 280 A 1 -ATOM 4866 H H . GLU A1 1 290 ? -5.234 4.724 -9.023 1.0 17.74 ? 280 A 1 -ATOM 4867 H HA . GLU A1 1 290 ? -4.448 6.206 -7.014 1.0 16.89 ? 280 A 1 -ATOM 4868 H HB2 . GLU A1 1 290 ? -4.029 3.479 -7.625 1.0 20.39 ? 280 A 1 -ATOM 4869 H HB3 . GLU A1 1 290 ? -3.632 4.105 -6.22 1.0 20.39 ? 280 A 1 -ATOM 4870 H HG2 . GLU A1 1 290 ? -5.539 3.321 -5.647 1.0 24.72 ? 280 A 1 -ATOM 4871 H HG3 . GLU A1 1 290 ? -6.056 4.705 -6.232 1.0 24.72 ? 280 A 1 -ATOM 4872 N N . ILE A1 1 291 ? -2.093 5.211 -8.931 1.0 15.11 ? 281 A 1 -ATOM 4873 C CA . ILE A1 1 291 ? -0.709 5.482 -9.299 1.0 15.53 ? 281 A 1 -ATOM 4874 C C . ILE A1 1 291 ? -0.566 6.951 -9.68 1.0 15.29 ? 281 A 1 -ATOM 4875 O O . ILE A1 1 291 ? 0.371 7.64 -9.284 1.0 15.04 ? 281 A 1 -ATOM 4876 C CB . ILE A1 1 291 ? -0.285 4.547 -10.457 1.0 15.51 ? 281 A 1 -ATOM 4877 C CG1 . ILE A1 1 291 ? -0.239 3.087 -10.016 1.0 17.95 ? 281 A 1 -ATOM 4878 C CG2 . ILE A1 1 291 ? 1.082 4.937 -10.971 1.0 17.98 ? 281 A 1 -ATOM 4879 C CD1 . ILE A1 1 291 ? -0.096 2.099 -11.199 1.0 21.35 ? 281 A 1 -ATOM 4880 H H . ILE A1 1 291 ? -2.486 4.634 -9.434 1.0 18.14 ? 281 A 1 -ATOM 4881 H HA . ILE A1 1 291 ? -0.128 5.306 -8.542 1.0 18.64 ? 281 A 1 -ATOM 4882 H HB . ILE A1 1 291 ? -0.951 4.644 -11.155 1.0 18.61 ? 281 A 1 -ATOM 4883 H HG12 . ILE A1 1 291 ? 0.521 2.96 -9.427 1.0 21.54 ? 281 A 1 -ATOM 4884 H HG13 . ILE A1 1 291 ? -1.061 2.874 -9.548 1.0 21.54 ? 281 A 1 -ATOM 4885 H HG21 . ILE A1 1 291 ? 1.393 4.256 -11.588 1.0 21.57 ? 281 A 1 -ATOM 4886 H HG22 . ILE A1 1 291 ? 1.017 5.791 -11.426 1.0 21.57 ? 281 A 1 -ATOM 4887 H HG23 . ILE A1 1 291 ? 1.694 5.007 -10.221 1.0 21.57 ? 281 A 1 -ATOM 4888 H HD11 . ILE A1 1 291 ? -0.294 1.202 -10.887 1.0 25.63 ? 281 A 1 -ATOM 4889 H HD12 . ILE A1 1 291 ? -0.719 2.351 -11.898 1.0 25.63 ? 281 A 1 -ATOM 4890 H HD13 . ILE A1 1 291 ? 0.813 2.139 -11.536 1.0 25.63 ? 281 A 1 -ATOM 4891 N N . THR A1 1 292 ? -1.505 7.456 -10.483 1.0 13.87 ? 282 A 1 -ATOM 4892 C CA . THR A1 1 292 ? -1.405 8.824 -10.976 1.0 14.02 ? 282 A 1 -ATOM 4893 C C . THR A1 1 292 ? -1.496 9.821 -9.828 1.0 13.45 ? 282 A 1 -ATOM 4894 O O . THR A1 1 292 ? -0.802 10.85 -9.833 1.0 14.58 ? 282 A 1 -ATOM 4895 C CB . THR A1 1 292 ? -2.516 9.076 -12.0 1.0 12.56 ? 282 A 1 -ATOM 4896 O OG1 . THR A1 1 292 ? -2.394 8.11 -13.079 1.0 13.87 ? 282 A 1 -ATOM 4897 C CG2 . THR A1 1 292 ? -2.366 10.401 -12.662 1.0 13.54 ? 282 A 1 -ATOM 4898 H H . THR A1 1 292 ? -2.201 7.03 -10.753 1.0 16.65 ? 282 A 1 -ATOM 4899 H HA . THR A1 1 292 ? -0.553 8.954 -11.421 1.0 16.82 ? 282 A 1 -ATOM 4900 H HB . THR A1 1 292 ? -3.364 9.023 -11.532 1.0 15.07 ? 282 A 1 -ATOM 4901 H HG1 . THR A1 1 292 ? -2.497 7.331 -12.78 1.0 16.64 ? 282 A 1 -ATOM 4902 H HG21 . THR A1 1 292 ? -3.024 10.495 -13.369 1.0 16.25 ? 282 A 1 -ATOM 4903 H HG22 . THR A1 1 292 ? -2.494 11.112 -12.015 1.0 16.25 ? 282 A 1 -ATOM 4904 H HG23 . THR A1 1 292 ? -1.478 10.481 -13.046 1.0 16.25 ? 282 A 1 -ATOM 4905 N N . LEU A1 1 293 ? -2.291 9.51 -8.797 1.0 13.85 ? 283 A 1 -ATOM 4906 C CA . LEU A1 1 293 ? -2.374 10.374 -7.605 1.0 13.32 ? 283 A 1 -ATOM 4907 C C . LEU A1 1 293 ? -1.068 10.396 -6.82 1.0 14.7 ? 283 A 1 -ATOM 4908 O O . LEU A1 1 293 ? -0.886 11.301 -6.004 1.0 14.77 ? 283 A 1 -ATOM 4909 C CB . LEU A1 1 293 ? -3.53 9.902 -6.729 1.0 14.68 ? 283 A 1 -ATOM 4910 C CG . LEU A1 1 293 ? -4.913 10.237 -7.259 1.0 14.0 ? 283 A 1 -ATOM 4911 C CD1 . LEU A1 1 293 ? -5.984 9.473 -6.494 1.0 16.11 ? 283 A 1 -ATOM 4912 C CD2 . LEU A1 1 293 ? -5.183 11.727 -7.197 1.0 15.45 ? 283 A 1 -ATOM 4913 H H . LEU A1 1 293 ? -2.791 8.812 -8.76 1.0 16.62 ? 283 A 1 -ATOM 4914 H HA . LEU A1 1 293 ? -2.556 11.289 -7.873 1.0 15.99 ? 283 A 1 -ATOM 4915 H HB2 . LEU A1 1 293 ? -3.476 8.937 -6.645 1.0 17.62 ? 283 A 1 -ATOM 4916 H HB3 . LEU A1 1 293 ? -3.443 10.317 -5.857 1.0 17.62 ? 283 A 1 -ATOM 4917 H HG . LEU A1 1 293 ? -4.953 9.97 -8.19 1.0 16.81 ? 283 A 1 -ATOM 4918 H HD11 . LEU A1 1 293 ? -6.855 9.704 -6.854 1.0 19.34 ? 283 A 1 -ATOM 4919 H HD12 . LEU A1 1 293 ? -5.826 8.521 -6.597 1.0 19.34 ? 283 A 1 -ATOM 4920 H HD13 . LEU A1 1 293 ? -5.938 9.717 -5.557 1.0 19.34 ? 283 A 1 -ATOM 4921 H HD21 . LEU A1 1 293 ? -6.116 11.888 -7.41 1.0 18.54 ? 283 A 1 -ATOM 4922 H HD22 . LEU A1 1 293 ? -4.989 12.046 -6.301 1.0 18.54 ? 283 A 1 -ATOM 4923 H HD23 . LEU A1 1 293 ? -4.614 12.178 -7.839 1.0 18.54 ? 283 A 1 -ATOM 4924 N N . ARG A1 1 294 ? -0.166 9.476 -7.048 1.0 15.13 ? 284 A 1 -ATOM 4925 C CA . ARG A1 1 294 ? 1.154 9.482 -6.425 1.0 15.84 ? 284 A 1 -ATOM 4926 C C . ARG A1 1 294 ? 2.211 10.103 -7.322 1.0 16.52 ? 284 A 1 -ATOM 4927 O O . ARG A1 1 294 ? 3.374 10.2 -6.929 1.0 17.84 ? 284 A 1 -ATOM 4928 C CB . ARG A1 1 294 ? 1.574 8.049 -6.068 1.0 17.48 ? 284 A 1 -ATOM 4929 C CG . ARG A1 1 294 ? 0.662 7.414 -4.986 1.0 19.14 ? 284 A 1 -ATOM 4930 C CD . ARG A1 1 294 ? 1.307 6.078 -4.463 1.0 30.02 ? 284 A 1 -ATOM 4931 N NE . ARG A1 1 294 ? 2.318 6.354 -3.438 1.0 73.18 ? 284 A 1 -ATOM 4932 C CZ . ARG A1 1 294 ? 3.384 5.599 -3.175 1.0 89.92 ? 284 A 1 -ATOM 4933 N NH1 . ARG A1 1 294 ? 3.628 4.485 -3.855 1.0 51.61 ? 284 A 1 -ATOM 4934 N NH2 . ARG A1 1 294 ? 4.225 5.971 -2.219 1.0 100.72 ? 284 A 1 -ATOM 4935 H H . ARG A1 1 294 ? -0.289 8.81 -7.578 1.0 18.15 ? 284 A 1 -ATOM 4936 H HA . ARG A1 1 294 ? 1.11 9.995 -5.603 1.0 19.0 ? 284 A 1 -ATOM 4937 H HB2 . ARG A1 1 294 ? 1.526 7.498 -6.865 1.0 20.98 ? 284 A 1 -ATOM 4938 H HB3 . ARG A1 1 294 ? 2.482 8.062 -5.728 1.0 20.98 ? 284 A 1 -ATOM 4939 H HG2 . ARG A1 1 294 ? 0.564 8.026 -4.24 1.0 22.97 ? 284 A 1 -ATOM 4940 H HG3 . ARG A1 1 294 ? -0.207 7.213 -5.367 1.0 22.97 ? 284 A 1 -ATOM 4941 H HD2 . ARG A1 1 294 ? 0.619 5.517 -4.073 1.0 36.02 ? 284 A 1 -ATOM 4942 H HD3 . ARG A1 1 294 ? 1.735 5.614 -5.2 1.0 36.02 ? 284 A 1 -ATOM 4943 H HE . ARG A1 1 294 ? 2.214 7.066 -2.966 1.0 87.81 ? 284 A 1 -ATOM 4944 H HH11 . ARG A1 1 294 ? 3.093 4.238 -4.481 1.0 61.93 ? 284 A 1 -ATOM 4945 H HH12 . ARG A1 1 294 ? 4.321 4.011 -3.67 1.0 61.93 ? 284 A 1 -ATOM 4946 H HH21 . ARG A1 1 294 ? 4.081 6.694 -1.776 1.0 120.86 ? 284 A 1 -ATOM 4947 H HH22 . ARG A1 1 294 ? 4.916 5.489 -2.042 1.0 120.86 ? 284 A 1 -ATOM 4948 N N . CYS A1 1 295 ? 1.828 10.621 -8.483 1.0 15.32 ? 285 A 1 -ATOM 4949 C CA . CYS A1 1 295 ? 2.774 11.147 -9.477 1.0 16.0 ? 285 A 1 -ATOM 4950 C C . CYS A1 1 295 ? 2.398 12.565 -9.853 1.0 15.85 ? 285 A 1 -ATOM 4951 O O . CYS A1 1 295 ? 2.79 13.06 -10.916 1.0 16.11 ? 285 A 1 -ATOM 4952 C CB . CYS A1 1 295 ? 2.801 10.294 -10.732 1.0 16.46 ? 285 A 1 -ATOM 4953 S SG . CYS A1 1 295 ? 3.377 8.621 -10.485 1.0 18.77 ? 285 A 1 -ATOM 4954 H H . CYS A1 1 295 ? 1.007 10.685 -8.73 1.0 18.39 ? 285 A 1 -ATOM 4955 H HA . CYS A1 1 295 ? 3.666 11.13 -9.095 1.0 19.2 ? 285 A 1 -ATOM 4956 H HB2 . CYS A1 1 295 ? 1.901 10.244 -11.09 1.0 19.75 ? 285 A 1 -ATOM 4957 H HB3 . CYS A1 1 295 ? 3.391 10.715 -11.377 1.0 19.75 ? 285 A 1 -ATOM 4958 H HG . CYS A1 1 295 ? 3.561 8.109 -11.554 1.0 22.52 ? 285 A 1 -ATOM 4959 N N . GLY A1 1 296 ? 1.626 13.246 -9.021 1.0 15.1 ? 286 A 1 -ATOM 4960 C CA . GLY A1 1 296 ? 1.323 14.655 -9.189 1.0 15.63 ? 286 A 1 -ATOM 4961 C C . GLY A1 1 296 ? -0.133 15.012 -9.244 1.0 14.19 ? 286 A 1 -ATOM 4962 O O . GLY A1 1 296 ? -0.457 16.189 -9.111 1.0 14.12 ? 286 A 1 -ATOM 4963 H H . GLY A1 1 296 ? 1.254 12.9 -8.327 1.0 18.12 ? 286 A 1 -ATOM 4964 H HA2 . GLY A1 1 296 ? 1.714 15.142 -8.447 1.0 18.76 ? 286 A 1 -ATOM 4965 H HA3 . GLY A1 1 296 ? 1.729 14.959 -10.016 1.0 18.76 ? 286 A 1 -ATOM 4966 N N . ALA A1 1 297 ? -1.062 14.073 -9.445 1.0 13.32 ? 287 A 1 -ATOM 4967 C CA . ALA A1 1 297 ? -2.472 14.42 -9.489 1.0 13.4 ? 287 A 1 -ATOM 4968 C C . ALA A1 1 297 ? -3.037 14.62 -8.084 1.0 13.87 ? 287 A 1 -ATOM 4969 O O . ALA A1 1 297 ? -2.491 14.12 -7.09 1.0 14.37 ? 287 A 1 -ATOM 4970 C CB . ALA A1 1 297 ? -3.264 13.333 -10.202 1.0 13.44 ? 287 A 1 -ATOM 4971 H H . ALA A1 1 297 ? -0.897 13.237 -9.557 1.0 15.98 ? 287 A 1 -ATOM 4972 H HA . ALA A1 1 297 ? -2.573 15.253 -9.977 1.0 16.08 ? 287 A 1 -ATOM 4973 H HB1 . ALA A1 1 297 ? -4.204 13.572 -10.197 1.0 16.12 ? 287 A 1 -ATOM 4974 H HB2 . ALA A1 1 297 ? -2.946 13.258 -11.116 1.0 16.12 ? 287 A 1 -ATOM 4975 H HB3 . ALA A1 1 297 ? -3.134 12.491 -9.737 1.0 16.12 ? 287 A 1 -ATOM 4976 N N . ASN A1 1 298 ? -4.139 15.383 -8.017 1.0 12.67 ? 288 A 1 -ATOM 4977 C CA . ASN A1 1 298 ? -4.753 15.739 -6.733 1.0 13.15 ? 288 A 1 -ATOM 4978 C C . ASN A1 1 298 ? -6.263 15.775 -6.81 1.0 13.06 ? 288 A 1 -ATOM 4979 O O . ASN A1 1 298 ? -6.9 16.275 -5.851 1.0 14.08 ? 288 A 1 -ATOM 4980 C CB . ASN A1 1 298 ? -4.226 17.094 -6.213 1.0 13.47 ? 288 A 1 -ATOM 4981 C CG . ASN A1 1 298 ? -4.728 18.271 -7.012 1.0 13.36 ? 288 A 1 -ATOM 4982 O OD1 . ASN A1 1 298 ? -4.674 18.228 -8.265 1.0 13.42 ? 288 A 1 -ATOM 4983 N ND2 . ASN A1 1 298 ? -5.238 19.314 -6.39 1.0 14.77 ? 288 A 1 -ATOM 4984 H H . ASN A1 1 298 ? -4.548 15.706 -8.701 1.0 15.2 ? 288 A 1 -ATOM 4985 H HA . ASN A1 1 298 ? -4.503 15.067 -6.08 1.0 15.78 ? 288 A 1 -ATOM 4986 H HB2 . ASN A1 1 298 ? -4.514 17.213 -5.294 1.0 16.16 ? 288 A 1 -ATOM 4987 H HB3 . ASN A1 1 298 ? -3.257 17.094 -6.259 1.0 16.16 ? 288 A 1 -ATOM 4988 H HD21 . ASN A1 1 298 ? -5.525 19.987 -6.842 1.0 17.73 ? 288 A 1 -ATOM 4989 H HD22 . ASN A1 1 298 ? -5.283 19.322 -5.531 1.0 17.73 ? 288 A 1 -ATOM 4990 N N . VAL A1 1 299 ? -6.871 15.274 -7.876 1.0 12.86 ? 289 A 1 -ATOM 4991 C CA . VAL A1 1 299 ? -8.31 15.317 -8.095 1.0 13.08 ? 289 A 1 -ATOM 4992 C C . VAL A1 1 299 ? -8.74 13.965 -8.621 1.0 13.06 ? 289 A 1 -ATOM 4993 O O . VAL A1 1 299 ? -7.991 13.3 -9.349 1.0 13.05 ? 289 A 1 -ATOM 4994 C CB . VAL A1 1 299 ? -8.661 16.443 -9.112 1.0 13.88 ? 289 A 1 -ATOM 4995 C CG1 . VAL A1 1 299 ? -10.117 16.369 -9.581 1.0 15.36 ? 289 A 1 -ATOM 4996 C CG2 . VAL A1 1 299 ? -8.3 17.794 -8.545 1.0 16.01 ? 289 A 1 -ATOM 4997 H H . VAL A1 1 299 ? -6.452 14.885 -8.518 1.0 15.44 ? 289 A 1 -ATOM 4998 H HA . VAL A1 1 299 ? -8.784 15.482 -7.264 1.0 15.7 ? 289 A 1 -ATOM 4999 H HB . VAL A1 1 299 ? -8.128 16.312 -9.912 1.0 16.65 ? 289 A 1 -ATOM 5000 H HG11 . VAL A1 1 299 ? -10.338 17.187 -10.053 1.0 18.43 ? 289 A 1 -ATOM 5001 H HG12 . VAL A1 1 299 ? -10.221 15.607 -10.172 1.0 18.43 ? 289 A 1 -ATOM 5002 H HG13 . VAL A1 1 299 ? -10.693 16.268 -8.807 1.0 18.43 ? 289 A 1 -ATOM 5003 H HG21 . VAL A1 1 299 ? -8.548 18.481 -9.183 1.0 19.21 ? 289 A 1 -ATOM 5004 H HG22 . VAL A1 1 299 ? -8.782 17.926 -7.713 1.0 19.21 ? 289 A 1 -ATOM 5005 H HG23 . VAL A1 1 299 ? -7.345 17.823 -8.382 1.0 19.21 ? 289 A 1 -ATOM 5006 N N . ILE A1 1 300 ? -9.931 13.535 -8.267 1.0 12.89 ? 290 A 1 -ATOM 5007 C CA . ILE A1 1 300 ? -10.54 12.318 -8.827 1.0 14.42 ? 290 A 1 -ATOM 5008 C C . ILE A1 1 300 ? -11.982 12.641 -9.162 1.0 13.75 ? 290 A 1 -ATOM 5009 O O . ILE A1 1 300 ? -12.645 13.441 -8.492 1.0 14.5 ? 290 A 1 -ATOM 5010 C CB . ILE A1 1 300 ? -10.38 11.118 -7.871 1.0 16.13 ? 290 A 1 -ATOM 5011 C CG1 . ILE A1 1 300 ? -10.709 9.835 -8.632 1.0 21.15 ? 290 A 1 -ATOM 5012 C CG2 . ILE A1 1 300 ? -11.193 11.294 -6.621 1.0 17.59 ? 290 A 1 -ATOM 5013 C CD1 . ILE A1 1 300 ? -9.943 8.656 -8.217 1.0 27.33 ? 290 A 1 -ATOM 5014 H H . ILE A1 1 300 ? -10.43 13.932 -7.69 1.0 15.47 ? 290 A 1 -ATOM 5015 H HA . ILE A1 1 300 ? -10.108 12.061 -9.656 1.0 17.3 ? 290 A 1 -ATOM 5016 H HB . ILE A1 1 300 ? -9.46 11.06 -7.569 1.0 19.36 ? 290 A 1 -ATOM 5017 H HG12 . ILE A1 1 300 ? -11.649 9.632 -8.501 1.0 25.38 ? 290 A 1 -ATOM 5018 H HG13 . ILE A1 1 300 ? -10.53 9.982 -9.574 1.0 25.38 ? 290 A 1 -ATOM 5019 H HG21 . ILE A1 1 300 ? -10.957 10.595 -5.99 1.0 21.1 ? 290 A 1 -ATOM 5020 H HG22 . ILE A1 1 300 ? -10.999 12.164 -6.239 1.0 21.1 ? 290 A 1 -ATOM 5021 H HG23 . ILE A1 1 300 ? -12.134 11.233 -6.846 1.0 21.1 ? 290 A 1 -ATOM 5022 H HD11 . ILE A1 1 300 ? -10.082 7.946 -8.863 1.0 32.79 ? 290 A 1 -ATOM 5023 H HD12 . ILE A1 1 300 ? -9.002 8.889 -8.179 1.0 32.79 ? 290 A 1 -ATOM 5024 H HD13 . ILE A1 1 300 ? -10.25 8.372 -7.342 1.0 32.79 ? 290 A 1 -ATOM 5025 N N . MET A1 1 301 ? -12.454 12.078 -10.267 1.0 13.34 ? 291 A 1 -ATOM 5026 C CA A MET A1 1 301 ? -13.744 12.428 -10.854 0.79 14.28 ? 291 A 1 -ATOM 5027 C CA B MET A1 1 301 ? -13.761 12.428 -10.81 0.21 16.11 ? 291 A 1 -ATOM 5028 C C . MET A1 1 301 ? -14.576 11.17 -11.0 1.0 14.17 ? 291 A 1 -ATOM 5029 O O . MET A1 1 301 ? -14.69 10.632 -12.128 1.0 17.03 ? 291 A 1 -ATOM 5030 C CB A MET A1 1 301 ? -13.575 13.266 -12.141 0.79 13.76 ? 291 A 1 -ATOM 5031 C CB B MET A1 1 301 ? -13.637 13.174 -12.132 0.21 15.72 ? 291 A 1 -ATOM 5032 C CG A MET A1 1 301 ? -12.496 14.398 -12.056 0.79 12.48 ? 291 A 1 -ATOM 5033 C CG B MET A1 1 301 ? -12.942 14.508 -12.074 0.21 28.52 ? 291 A 1 -ATOM 5034 S SD A MET A1 1 301 ? -12.217 15.406 -13.589 0.79 16.62 ? 291 A 1 -ATOM 5035 S SD B MET A1 1 301 ? -13.546 15.49 -13.424 0.21 16.35 ? 291 A 1 -ATOM 5036 C CE A MET A1 1 301 ? -13.684 16.485 -13.493 0.79 20.22 ? 291 A 1 -ATOM 5037 C CE B MET A1 1 301 ? -12.146 16.559 -13.809 0.21 26.81 ? 291 A 1 -ATOM 5038 H H A MET A1 1 301 ? -12.032 11.473 -10.709 0.79 16.01 ? 291 A 1 -ATOM 5039 H H B MET A1 1 301 ? -12.031 11.485 -10.725 0.21 16.01 ? 291 A 1 -ATOM 5040 H HA A MET A1 1 301 ? -14.242 12.996 -10.246 0.79 17.13 ? 291 A 1 -ATOM 5041 H HA B MET A1 1 301 ? -14.203 13.001 -10.164 0.21 19.33 ? 291 A 1 -ATOM 5042 H HB2 A MET A1 1 301 ? -13.317 12.672 -12.863 0.79 16.52 ? 291 A 1 -ATOM 5043 H HB2 B MET A1 1 301 ? -13.136 12.617 -12.749 0.21 18.86 ? 291 A 1 -ATOM 5044 H HB3 A MET A1 1 301 ? -14.424 13.688 -12.345 0.79 16.52 ? 291 A 1 -ATOM 5045 H HB3 B MET A1 1 301 ? -14.53 13.331 -12.477 0.21 18.86 ? 291 A 1 -ATOM 5046 H HG2 A MET A1 1 301 ? -12.763 15.016 -11.357 0.79 14.97 ? 291 A 1 -ATOM 5047 H HG2 B MET A1 1 301 ? -13.143 14.955 -11.236 0.21 34.23 ? 291 A 1 -ATOM 5048 H HG3 A MET A1 1 301 ? -11.647 13.988 -11.83 0.79 14.97 ? 291 A 1 -ATOM 5049 H HG3 B MET A1 1 301 ? -11.983 14.391 -12.165 0.21 34.23 ? 291 A 1 -ATOM 5050 H HE1 A MET A1 1 301 ? -13.599 17.192 -14.152 0.79 24.27 ? 291 A 1 -ATOM 5051 H HE1 B MET A1 1 301 ? -12.322 17.022 -14.643 0.21 32.17 ? 291 A 1 -ATOM 5052 H HE2 A MET A1 1 301 ? -14.477 15.957 -13.674 0.79 24.27 ? 291 A 1 -ATOM 5053 H HE2 B MET A1 1 301 ? -12.032 17.201 -13.091 0.21 32.17 ? 291 A 1 -ATOM 5054 H HE3 A MET A1 1 301 ? -13.737 16.867 -12.603 0.79 24.27 ? 291 A 1 -ATOM 5055 H HE3 B MET A1 1 301 ? -11.347 16.015 -13.895 0.21 32.17 ? 291 A 1 -ATOM 5056 N N . PRO A1 1 302 ? -15.185 10.667 -9.944 1.0 15.01 ? 292 A 1 -ATOM 5057 C CA . PRO A1 1 302 ? -15.982 9.456 -10.073 1.0 15.86 ? 292 A 1 -ATOM 5058 C C . PRO A1 1 302 ? -17.159 9.667 -11.004 1.0 14.73 ? 292 A 1 -ATOM 5059 O O . PRO A1 1 302 ? -17.784 10.729 -11.032 1.0 16.22 ? 292 A 1 -ATOM 5060 C CB . PRO A1 1 302 ? -16.44 9.184 -8.646 1.0 18.01 ? 292 A 1 -ATOM 5061 C CG . PRO A1 1 302 ? -16.474 10.512 -7.996 1.0 15.66 ? 292 A 1 -ATOM 5062 C CD . PRO A1 1 302 ? -15.295 11.231 -8.58 1.0 14.11 ? 292 A 1 -ATOM 5063 H HA . PRO A1 1 302 ? -15.44 8.717 -10.391 1.0 19.04 ? 292 A 1 -ATOM 5064 H HB2 . PRO A1 1 302 ? -17.321 8.778 -8.653 1.0 21.61 ? 292 A 1 -ATOM 5065 H HB3 . PRO A1 1 302 ? -15.808 8.596 -8.203 1.0 21.61 ? 292 A 1 -ATOM 5066 H HG2 . PRO A1 1 302 ? -17.303 10.967 -8.209 1.0 18.79 ? 292 A 1 -ATOM 5067 H HG3 . PRO A1 1 302 ? -16.385 10.416 -7.035 1.0 18.79 ? 292 A 1 -ATOM 5068 H HD2 . PRO A1 1 302 ? -15.457 12.186 -8.614 1.0 16.93 ? 292 A 1 -ATOM 5069 H HD3 . PRO A1 1 302 ? -14.492 11.049 -8.067 1.0 16.93 ? 292 A 1 -ATOM 5070 N N A ASN A1 1 303 ? -17.502 8.602 -11.731 0.56 16.61 ? 293 A 1 -ATOM 5071 N N B ASN A1 1 303 ? -17.426 8.629 -11.778 0.44 13.76 ? 293 A 1 -ATOM 5072 C CA A ASN A1 1 303 ? -18.61 8.647 -12.684 0.56 14.88 ? 293 A 1 -ATOM 5073 C CA B ASN A1 1 303 ? -18.596 8.635 -12.625 0.44 13.56 ? 293 A 1 -ATOM 5074 C C A ASN A1 1 303 ? -19.93 8.386 -11.967 0.56 13.98 ? 293 A 1 -ATOM 5075 C C B ASN A1 1 303 ? -19.851 8.484 -11.779 0.44 13.59 ? 293 A 1 -ATOM 5076 O O A ASN A1 1 303 ? -20.182 7.278 -11.461 0.56 14.74 ? 293 A 1 -ATOM 5077 O O B ASN A1 1 303 ? -19.958 7.566 -10.962 0.44 14.63 ? 293 A 1 -ATOM 5078 C CB A ASN A1 1 303 ? -18.372 7.607 -13.776 0.56 14.3 ? 293 A 1 -ATOM 5079 C CB B ASN A1 1 303 ? -18.508 7.482 -13.616 0.44 20.63 ? 293 A 1 -ATOM 5080 C CG A ASN A1 1 303 ? -19.485 7.557 -14.805 0.56 30.06 ? 293 A 1 -ATOM 5081 C CG B ASN A1 1 303 ? -19.538 7.596 -14.689 0.44 13.54 ? 293 A 1 -ATOM 5082 O OD1 A ASN A1 1 303 ? -20.399 8.396 -14.799 0.56 16.49 ? 293 A 1 -ATOM 5083 O OD1 B ASN A1 1 303 ? -20.67 7.361 -14.457 0.44 14.55 ? 293 A 1 -ATOM 5084 N ND2 A ASN A1 1 303 ? -19.394 6.572 -15.725 0.56 17.46 ? 293 A 1 -ATOM 5085 N ND2 B ASN A1 1 303 ? -19.123 8.029 -15.851 0.44 23.14 ? 293 A 1 -ATOM 5086 H H A ASN A1 1 303 ? -17.106 7.84 -11.69 0.56 19.93 ? 293 A 1 -ATOM 5087 H H B ASN A1 1 303 ? -16.948 7.916 -11.828 0.44 16.51 ? 293 A 1 -ATOM 5088 H HA A ASN A1 1 303 ? -18.661 9.532 -13.078 0.56 17.86 ? 293 A 1 -ATOM 5089 H HA B ASN A1 1 303 ? -18.648 9.472 -13.112 0.44 16.27 ? 293 A 1 -ATOM 5090 H HB2 A ASN A1 1 303 ? -17.547 7.821 -14.239 0.56 17.16 ? 293 A 1 -ATOM 5091 H HB2 B ASN A1 1 303 ? -17.632 7.485 -14.033 0.44 24.76 ? 293 A 1 -ATOM 5092 H HB3 A ASN A1 1 303 ? -18.305 6.731 -13.366 0.56 17.16 ? 293 A 1 -ATOM 5093 H HB3 B ASN A1 1 303 ? -18.648 6.645 -13.147 0.44 24.76 ? 293 A 1 -ATOM 5094 H HD21 A ASN A1 1 303 ? -19.996 6.494 -16.333 0.56 20.96 ? 293 A 1 -ATOM 5095 H HD21 B ASN A1 1 303 ? -19.678 8.113 -16.502 0.44 27.77 ? 293 A 1 -ATOM 5096 H HD22 A ASN A1 1 303 ? -18.733 6.022 -15.702 0.56 20.96 ? 293 A 1 -ATOM 5097 H HD22 B ASN A1 1 303 ? -18.294 8.23 -15.963 0.44 27.77 ? 293 A 1 -ATOM 5098 N N . TRP A1 1 304 ? -20.783 9.394 -11.958 1.0 14.13 ? 294 A 1 -ATOM 5099 C CA . TRP A1 1 304 ? -22.063 9.365 -11.289 1.0 14.25 ? 294 A 1 -ATOM 5100 C C . TRP A1 1 304 ? -23.214 9.284 -12.274 1.0 15.21 ? 294 A 1 -ATOM 5101 O O . TRP A1 1 304 ? -24.363 9.541 -11.928 1.0 18.27 ? 294 A 1 -ATOM 5102 C CB . TRP A1 1 304 ? -22.13 10.597 -10.354 1.0 14.6 ? 294 A 1 -ATOM 5103 C CG . TRP A1 1 304 ? -23.199 10.535 -9.304 1.0 15.25 ? 294 A 1 -ATOM 5104 C CD1 . TRP A1 1 304 ? -24.3 11.274 -9.209 1.0 15.45 ? 294 A 1 -ATOM 5105 C CD2 . TRP A1 1 304 ? -23.216 9.624 -8.195 1.0 15.55 ? 294 A 1 -ATOM 5106 N NE1 . TRP A1 1 304 ? -25.027 10.897 -8.077 1.0 17.37 ? 294 A 1 -ATOM 5107 C CE2 . TRP A1 1 304 ? -24.352 9.906 -7.431 1.0 17.12 ? 294 A 1 -ATOM 5108 C CE3 . TRP A1 1 304 ? -22.337 8.633 -7.764 1.0 15.77 ? 294 A 1 -ATOM 5109 C CZ2 . TRP A1 1 304 ? -24.627 9.227 -6.252 1.0 18.83 ? 294 A 1 -ATOM 5110 C CZ3 . TRP A1 1 304 ? -22.636 7.956 -6.586 1.0 18.62 ? 294 A 1 -ATOM 5111 C CH2 . TRP A1 1 304 ? -23.747 8.279 -5.848 1.0 18.31 ? 294 A 1 -ATOM 5112 H H A TRP A1 1 304 ? -20.633 10.142 -12.354 0.56 16.95 ? 294 A 1 -ATOM 5113 H H B TRP A1 1 304 ? -20.695 10.067 -12.486 0.44 16.95 ? 294 A 1 -ATOM 5114 H HA . TRP A1 1 304 ? -22.162 8.574 -10.735 1.0 17.1 ? 294 A 1 -ATOM 5115 H HB2 . TRP A1 1 304 ? -21.278 10.684 -9.897 1.0 17.52 ? 294 A 1 -ATOM 5116 H HB3 . TRP A1 1 304 ? -22.298 11.385 -10.895 1.0 17.52 ? 294 A 1 -ATOM 5117 H HD1 . TRP A1 1 304 ? -24.549 11.941 -9.806 1.0 18.54 ? 294 A 1 -ATOM 5118 H HE1 . TRP A1 1 304 ? -25.778 11.236 -7.829 1.0 20.85 ? 294 A 1 -ATOM 5119 H HE3 . TRP A1 1 304 ? -21.57 8.431 -8.25 1.0 18.93 ? 294 A 1 -ATOM 5120 H HZ2 . TRP A1 1 304 ? -25.391 9.417 -5.756 1.0 22.6 ? 294 A 1 -ATOM 5121 H HZ3 . TRP A1 1 304 ? -22.075 7.273 -6.295 1.0 22.34 ? 294 A 1 -ATOM 5122 H HH2 . TRP A1 1 304 ? -23.9 7.834 -5.046 1.0 21.97 ? 294 A 1 -ATOM 5123 N N . THR A1 1 305 ? -22.96 8.942 -13.511 1.0 14.82 ? 295 A 1 -ATOM 5124 C CA . THR A1 1 305 ? -24.058 8.792 -14.462 1.0 14.69 ? 295 A 1 -ATOM 5125 C C . THR A1 1 305 ? -24.893 7.553 -14.085 1.0 15.2 ? 295 A 1 -ATOM 5126 O O . THR A1 1 305 ? -24.325 6.484 -13.817 1.0 15.53 ? 295 A 1 -ATOM 5127 C CB . THR A1 1 305 ? -23.483 8.584 -15.862 1.0 14.54 ? 295 A 1 -ATOM 5128 O OG1 . THR A1 1 305 ? -22.582 9.663 -16.143 1.0 14.23 ? 295 A 1 -ATOM 5129 C CG2 . THR A1 1 305 ? -24.555 8.544 -16.912 1.0 15.29 ? 295 A 1 -ATOM 5130 H H . THR A1 1 305 ? -22.177 8.791 -13.833 1.0 17.78 ? 295 A 1 -ATOM 5131 H HA . THR A1 1 305 ? -24.621 9.582 -14.449 1.0 17.63 ? 295 A 1 -ATOM 5132 H HB . THR A1 1 305 ? -23.022 7.731 -15.896 1.0 17.45 ? 295 A 1 -ATOM 5133 H HG1 . THR A1 1 305 ? -21.926 9.633 -15.62 1.0 17.08 ? 295 A 1 -ATOM 5134 H HG21 . THR A1 1 305 ? -24.153 8.503 -17.794 1.0 18.35 ? 295 A 1 -ATOM 5135 H HG22 . THR A1 1 305 ? -25.115 7.763 -16.785 1.0 18.35 ? 295 A 1 -ATOM 5136 H HG23 . THR A1 1 305 ? -25.106 9.34 -16.854 1.0 18.35 ? 295 A 1 -ATOM 5137 N N . PRO A1 1 306 ? -26.197 7.649 -14.022 1.0 15.67 ? 296 A 1 -ATOM 5138 C CA . PRO A1 1 306 ? -26.985 6.502 -13.567 1.0 16.3 ? 296 A 1 -ATOM 5139 C C . PRO A1 1 306 ? -27.216 5.476 -14.674 1.0 16.68 ? 296 A 1 -ATOM 5140 O O . PRO A1 1 306 ? -27.173 5.79 -15.898 1.0 16.87 ? 296 A 1 -ATOM 5141 C CB . PRO A1 1 306 ? -28.307 7.143 -13.109 1.0 18.73 ? 296 A 1 -ATOM 5142 C CG . PRO A1 1 306 ? -28.434 8.37 -14.04 1.0 18.72 ? 296 A 1 -ATOM 5143 C CD . PRO A1 1 306 ? -27.01 8.859 -14.196 1.0 15.94 ? 296 A 1 -ATOM 5144 H HA . PRO A1 1 306 ? -26.554 6.065 -12.815 1.0 19.56 ? 296 A 1 -ATOM 5145 H HB2 . PRO A1 1 306 ? -29.044 6.524 -13.234 1.0 22.47 ? 296 A 1 -ATOM 5146 H HB3 . PRO A1 1 306 ? -28.251 7.408 -12.178 1.0 22.47 ? 296 A 1 -ATOM 5147 H HG2 . PRO A1 1 306 ? -28.809 8.104 -14.895 1.0 22.46 ? 296 A 1 -ATOM 5148 H HG3 . PRO A1 1 306 ? -28.994 9.046 -13.628 1.0 22.46 ? 296 A 1 -ATOM 5149 H HD2 . PRO A1 1 306 ? -26.873 9.24 -15.077 1.0 19.12 ? 296 A 1 -ATOM 5150 H HD3 . PRO A1 1 306 ? -26.797 9.515 -13.514 1.0 19.12 ? 296 A 1 -ATOM 5151 N N . SER A1 1 307 ? -27.491 4.242 -14.263 1.0 17.22 ? 297 A 1 -ATOM 5152 C CA . SER A1 1 307 ? -28.104 3.269 -15.135 1.0 17.84 ? 297 A 1 -ATOM 5153 C C . SER A1 1 307 ? -29.438 3.83 -15.586 1.0 18.48 ? 297 A 1 -ATOM 5154 O O . SER A1 1 307 ? -30.138 4.481 -14.798 1.0 20.74 ? 297 A 1 -ATOM 5155 C CB . SER A1 1 307 ? -28.398 1.987 -14.352 1.0 21.77 ? 297 A 1 -ATOM 5156 O OG . SER A1 1 307 ? -27.22 1.477 -13.82 1.0 26.42 ? 297 A 1 -ATOM 5157 H H . SER A1 1 307 ? -27.328 3.946 -13.473 1.0 20.66 ? 297 A 1 -ATOM 5158 H HA . SER A1 1 307 ? -27.526 3.072 -15.888 1.0 21.41 ? 297 A 1 -ATOM 5159 H HB2 . SER A1 1 307 ? -29.014 2.187 -13.63 1.0 26.12 ? 297 A 1 -ATOM 5160 H HB3 . SER A1 1 307 ? -28.789 1.33 -14.949 1.0 26.12 ? 297 A 1 -ATOM 5161 H HG . SER A1 1 307 ? -26.669 1.326 -14.435 1.0 31.7 ? 297 A 1 -ATOM 5162 N N . PRO A1 1 308 ? -29.875 3.548 -16.803 1.0 18.81 ? 298 A 1 -ATOM 5163 C CA . PRO A1 1 308 ? -29.287 2.691 -17.843 1.0 19.51 ? 298 A 1 -ATOM 5164 C C . PRO A1 1 308 ? -28.384 3.456 -18.794 1.0 19.19 ? 298 A 1 -ATOM 5165 O O . PRO A1 1 308 ? -27.996 2.926 -19.874 1.0 21.47 ? 298 A 1 -ATOM 5166 C CB . PRO A1 1 308 ? -30.524 2.185 -18.561 1.0 22.74 ? 298 A 1 -ATOM 5167 C CG . PRO A1 1 308 ? -31.385 3.414 -18.625 1.0 21.38 ? 298 A 1 -ATOM 5168 C CD . PRO A1 1 308 ? -31.225 4.003 -17.202 1.0 20.72 ? 298 A 1 -ATOM 5169 H HA . PRO A1 1 308 ? -28.787 1.953 -17.461 1.0 23.41 ? 298 A 1 -ATOM 5170 H HB2 . PRO A1 1 308 ? -30.296 1.863 -19.447 1.0 27.28 ? 298 A 1 -ATOM 5171 H HB3 . PRO A1 1 308 ? -30.949 1.479 -18.05 1.0 27.28 ? 298 A 1 -ATOM 5172 H HG2 . PRO A1 1 308 ? -31.057 4.025 -19.303 1.0 25.65 ? 298 A 1 -ATOM 5173 H HG3 . PRO A1 1 308 ? -32.307 3.176 -18.81 1.0 25.65 ? 298 A 1 -ATOM 5174 H HD2 . PRO A1 1 308 ? -31.272 4.972 -17.221 1.0 24.86 ? 298 A 1 -ATOM 5175 H HD3 . PRO A1 1 308 ? -31.901 3.65 -16.603 1.0 24.86 ? 298 A 1 -ATOM 5176 N N . TYR A1 1 309 ? -28.048 4.695 -18.476 1.0 17.4 ? 299 A 1 -ATOM 5177 C CA . TYR A1 1 309 ? -27.313 5.569 -19.376 1.0 17.41 ? 299 A 1 -ATOM 5178 C C . TYR A1 1 309 ? -25.84 5.37 -19.284 1.0 17.3 ? 299 A 1 -ATOM 5179 O O . TYR A1 1 309 ? -25.127 5.583 -20.297 1.0 17.71 ? 299 A 1 -ATOM 5180 C CB . TYR A1 1 309 ? -27.624 7.062 -19.091 1.0 16.55 ? 299 A 1 -ATOM 5181 C CG . TYR A1 1 309 ? -29.097 7.333 -18.949 1.0 17.95 ? 299 A 1 -ATOM 5182 C CD1 . TYR A1 1 309 ? -29.976 7.055 -19.948 1.0 19.37 ? 299 A 1 -ATOM 5183 C CD2 . TYR A1 1 309 ? -29.591 7.86 -17.755 1.0 19.64 ? 299 A 1 -ATOM 5184 C CE1 . TYR A1 1 309 ? -31.362 7.307 -19.788 1.0 20.15 ? 299 A 1 -ATOM 5185 C CE2 . TYR A1 1 309 ? -30.955 8.118 -17.6 1.0 20.31 ? 299 A 1 -ATOM 5186 C CZ . TYR A1 1 309 ? -31.798 7.858 -18.612 1.0 20.09 ? 299 A 1 -ATOM 5187 O OH . TYR A1 1 309 ? -33.136 8.094 -18.468 1.0 25.16 ? 299 A 1 -ATOM 5188 H H . TYR A1 1 309 ? -28.237 5.066 -17.723 1.0 20.88 ? 299 A 1 -ATOM 5189 H HA . TYR A1 1 309 ? -27.608 5.362 -20.277 1.0 20.89 ? 299 A 1 -ATOM 5190 H HB2 . TYR A1 1 309 ? -27.189 7.322 -18.264 1.0 19.86 ? 299 A 1 -ATOM 5191 H HB3 . TYR A1 1 309 ? -27.289 7.6 -19.826 1.0 19.86 ? 299 A 1 -ATOM 5192 H HD1 . TYR A1 1 309 ? -29.664 6.695 -20.747 1.0 23.24 ? 299 A 1 -ATOM 5193 H HD2 . TYR A1 1 309 ? -29.005 8.042 -17.056 1.0 23.56 ? 299 A 1 -ATOM 5194 H HE1 . TYR A1 1 309 ? -31.963 7.102 -20.467 1.0 24.18 ? 299 A 1 -ATOM 5195 H HE2 . TYR A1 1 309 ? -31.277 8.468 -16.8 1.0 24.37 ? 299 A 1 -ATOM 5196 H HH . TYR A1 1 309 ? -33.288 8.436 -17.716 1.0 30.2 ? 299 A 1 -ATOM 5197 N N . ARG A1 1 310 ? -25.307 5.006 -18.114 1.0 16.47 ? 300 A 1 -ATOM 5198 C CA . ARG A1 1 310 ? -23.862 5.016 -17.918 1.0 17.46 ? 300 A 1 -ATOM 5199 C C . ARG A1 1 310 ? -23.14 4.226 -18.985 1.0 16.92 ? 300 A 1 -ATOM 5200 O O . ARG A1 1 310 ? -22.094 4.662 -19.47 1.0 17.43 ? 300 A 1 -ATOM 5201 C CB . ARG A1 1 310 ? -23.461 4.58 -16.489 1.0 18.08 ? 300 A 1 -ATOM 5202 C CG . ARG A1 1 310 ? -23.861 3.226 -16.118 1.0 19.9 ? 300 A 1 -ATOM 5203 C CD . ARG A1 1 310 ? -23.384 2.855 -14.689 1.0 22.89 ? 300 A 1 -ATOM 5204 N NE . ARG A1 1 310 ? -23.852 1.494 -14.415 1.0 26.31 ? 300 A 1 -ATOM 5205 C CZ . ARG A1 1 310 ? -23.528 0.76 -13.349 1.0 69.15 ? 300 A 1 -ATOM 5206 N NH1 . ARG A1 1 310 ? -22.671 1.216 -12.48 1.0 30.14 ? 300 A 1 -ATOM 5207 N NH2 . ARG A1 1 310 ? -24.04 -0.446 -13.169 1.0 34.75 ? 300 A 1 -ATOM 5208 H H . ARG A1 1 310 ? -25.757 4.751 -17.427 1.0 19.77 ? 300 A 1 -ATOM 5209 H HA . ARG A1 1 310 ? -23.569 5.937 -17.998 1.0 20.95 ? 300 A 1 -ATOM 5210 H HB2 . ARG A1 1 310 ? -22.495 4.627 -16.415 1.0 21.7 ? 300 A 1 -ATOM 5211 H HB3 . ARG A1 1 310 ? -23.873 5.188 -15.856 1.0 21.7 ? 300 A 1 -ATOM 5212 H HG2 . ARG A1 1 310 ? -24.829 3.161 -16.142 1.0 23.88 ? 300 A 1 -ATOM 5213 H HG3 . ARG A1 1 310 ? -23.471 2.594 -16.742 1.0 23.88 ? 300 A 1 -ATOM 5214 H HD2 . ARG A1 1 310 ? -22.415 2.879 -14.641 1.0 27.47 ? 300 A 1 -ATOM 5215 H HD3 . ARG A1 1 310 ? -23.764 3.465 -14.038 1.0 27.47 ? 300 A 1 -ATOM 5216 H HE . ARG A1 1 310 ? -24.381 1.137 -14.991 1.0 31.58 ? 300 A 1 -ATOM 5217 H HH11 . ARG A1 1 310 ? -22.314 1.99 -12.593 1.0 36.17 ? 300 A 1 -ATOM 5218 H HH12 . ARG A1 1 310 ? -22.462 0.744 -11.792 1.0 36.17 ? 300 A 1 -ATOM 5219 H HH21 . ARG A1 1 310 ? -24.591 -0.768 -13.745 1.0 41.69 ? 300 A 1 -ATOM 5220 H HH22 . ARG A1 1 310 ? -23.822 -0.907 -12.477 1.0 41.69 ? 300 A 1 -ATOM 5221 N N . GLN A1 1 311 ? -23.622 3.035 -19.295 1.0 17.02 ? 301 A 1 -ATOM 5222 C CA . GLN A1 1 311 ? -22.952 2.165 -20.232 1.0 18.4 ? 301 A 1 -ATOM 5223 C C . GLN A1 1 311 ? -22.954 2.708 -21.637 1.0 18.92 ? 301 A 1 -ATOM 5224 O O . GLN A1 1 311 ? -22.175 2.216 -22.48 1.0 20.56 ? 301 A 1 -ATOM 5225 C CB . GLN A1 1 311 ? -23.554 0.763 -20.219 1.0 20.57 ? 301 A 1 -ATOM 5226 C CG . GLN A1 1 311 ? -24.981 0.661 -20.525 1.0 24.2 ? 301 A 1 -ATOM 5227 C CD . GLN A1 1 311 ? -25.849 0.582 -19.299 1.0 63.45 ? 301 A 1 -ATOM 5228 O OE1 . GLN A1 1 311 ? -25.677 1.347 -18.358 1.0 25.71 ? 301 A 1 -ATOM 5229 N NE2 . GLN A1 1 311 ? -26.802 -0.349 -19.31 1.0 33.54 ? 301 A 1 -ATOM 5230 H H . GLN A1 1 311 ? -24.347 2.705 -18.97 1.0 20.42 ? 301 A 1 -ATOM 5231 H HA . GLN A1 1 311 ? -22.03 2.084 -19.942 1.0 22.08 ? 301 A 1 -ATOM 5232 H HB2 . GLN A1 1 311 ? -23.083 0.227 -20.877 1.0 24.69 ? 301 A 1 -ATOM 5233 H HB3 . GLN A1 1 311 ? -23.426 0.388 -19.334 1.0 24.69 ? 301 A 1 -ATOM 5234 H HG2 . GLN A1 1 311 ? -25.25 1.445 -21.03 1.0 29.04 ? 301 A 1 -ATOM 5235 H HG3 . GLN A1 1 311 ? -25.134 -0.14 -21.05 1.0 29.04 ? 301 A 1 -ATOM 5236 H HE21 . GLN A1 1 311 ? -26.894 -0.863 -19.993 1.0 40.24 ? 301 A 1 -ATOM 5237 H HE22 . GLN A1 1 311 ? -27.326 -0.435 -18.633 1.0 40.24 ? 301 A 1 -ATOM 5238 N N . LEU A1 1 312 ? -23.787 3.697 -21.933 1.0 16.42 ? 302 A 1 -ATOM 5239 C CA . LEU A1 1 312 ? -23.895 4.255 -23.284 1.0 16.46 ? 302 A 1 -ATOM 5240 C C . LEU A1 1 312 ? -22.96 5.443 -23.5 1.0 15.77 ? 302 A 1 -ATOM 5241 O O . LEU A1 1 312 ? -22.83 5.89 -24.672 1.0 15.8 ? 302 A 1 -ATOM 5242 C CB . LEU A1 1 312 ? -25.346 4.678 -23.576 1.0 16.9 ? 302 A 1 -ATOM 5243 C CG . LEU A1 1 312 ? -26.331 3.569 -23.443 1.0 17.68 ? 302 A 1 -ATOM 5244 C CD1 . LEU A1 1 312 ? -27.744 4.09 -23.676 1.0 19.23 ? 302 A 1 -ATOM 5245 C CD2 . LEU A1 1 312 ? -26.021 2.488 -24.407 1.0 20.07 ? 302 A 1 -ATOM 5246 H H . LEU A1 1 312 ? -24.311 4.072 -21.363 1.0 19.7 ? 302 A 1 -ATOM 5247 H HA . LEU A1 1 312 ? -23.662 3.567 -23.927 1.0 19.75 ? 302 A 1 -ATOM 5248 H HB2 . LEU A1 1 312 ? -25.599 5.376 -22.951 1.0 20.28 ? 302 A 1 -ATOM 5249 H HB3 . LEU A1 1 312 ? -25.396 5.013 -24.485 1.0 20.28 ? 302 A 1 -ATOM 5250 H HG . LEU A1 1 312 ? -26.28 3.204 -22.546 1.0 21.22 ? 302 A 1 -ATOM 5251 H HD11 . LEU A1 1 312 ? -28.371 3.356 -23.578 1.0 23.07 ? 302 A 1 -ATOM 5252 H HD12 . LEU A1 1 312 ? -27.939 4.78 -23.023 1.0 23.07 ? 302 A 1 -ATOM 5253 H HD13 . LEU A1 1 312 ? -27.802 4.457 -24.572 1.0 23.07 ? 302 A 1 -ATOM 5254 H HD21 . LEU A1 1 312 ? -26.784 1.892 -24.469 1.0 24.08 ? 302 A 1 -ATOM 5255 H HD22 . LEU A1 1 312 ? -25.836 2.881 -25.274 1.0 24.08 ? 302 A 1 -ATOM 5256 H HD23 . LEU A1 1 312 ? -25.244 1.998 -24.093 1.0 24.08 ? 302 A 1 -ATOM 5257 N N . TYR A1 1 313 ? -22.289 5.956 -22.488 1.0 15.68 ? 303 A 1 -ATOM 5258 C CA . TYR A1 1 313 ? -21.38 7.093 -22.681 1.0 14.66 ? 303 A 1 -ATOM 5259 C C . TYR A1 1 313 ? -20.004 6.561 -23.031 1.0 14.47 ? 303 A 1 -ATOM 5260 O O . TYR A1 1 313 ? -19.031 6.683 -22.3 1.0 15.1 ? 303 A 1 -ATOM 5261 C CB . TYR A1 1 313 ? -21.397 8.018 -21.48 1.0 15.6 ? 303 A 1 -ATOM 5262 C CG . TYR A1 1 313 ? -20.821 9.362 -21.745 1.0 13.97 ? 303 A 1 -ATOM 5263 C CD1 . TYR A1 1 313 ? -21.552 10.386 -22.332 1.0 13.97 ? 303 A 1 -ATOM 5264 C CD2 . TYR A1 1 313 ? -19.541 9.635 -21.317 1.0 15.45 ? 303 A 1 -ATOM 5265 C CE1 . TYR A1 1 313 ? -21.018 11.64 -22.503 1.0 13.67 ? 303 A 1 -ATOM 5266 C CE2 . TYR A1 1 313 ? -19.02 10.894 -21.476 1.0 16.97 ? 303 A 1 -ATOM 5267 C CZ . TYR A1 1 313 ? -19.748 11.872 -22.017 1.0 16.39 ? 303 A 1 -ATOM 5268 O OH . TYR A1 1 313 ? -19.292 13.169 -22.168 1.0 19.86 ? 303 A 1 -ATOM 5269 H H . TYR A1 1 313 ? -22.337 5.672 -21.678 1.0 18.82 ? 303 A 1 -ATOM 5270 H HA . TYR A1 1 313 ? -21.682 7.629 -23.431 1.0 17.6 ? 303 A 1 -ATOM 5271 H HB2 . TYR A1 1 313 ? -22.316 8.142 -21.196 1.0 18.72 ? 303 A 1 -ATOM 5272 H HB3 . TYR A1 1 313 ? -20.881 7.611 -20.766 1.0 18.72 ? 303 A 1 -ATOM 5273 H HD1 . TYR A1 1 313 ? -22.422 10.219 -22.615 1.0 16.76 ? 303 A 1 -ATOM 5274 H HD2 . TYR A1 1 313 ? -19.03 8.966 -20.922 1.0 18.54 ? 303 A 1 -ATOM 5275 H HE1 . TYR A1 1 313 ? -21.498 12.311 -22.932 1.0 16.4 ? 303 A 1 -ATOM 5276 H HE2 . TYR A1 1 313 ? -18.149 11.068 -21.202 1.0 20.36 ? 303 A 1 -ATOM 5277 H HH . TYR A1 1 313 ? -18.545 13.256 -21.794 1.0 23.84 ? 303 A 1 -ATOM 5278 N N . GLN A1 1 314 ? -19.969 5.96 -24.216 1.0 14.85 ? 304 A 1 -ATOM 5279 C CA . GLN A1 1 314 ? -18.878 5.075 -24.626 1.0 17.33 ? 304 A 1 -ATOM 5280 C C . GLN A1 1 314 ? -17.781 5.827 -25.386 1.0 15.71 ? 304 A 1 -ATOM 5281 O O . GLN A1 1 314 ? -17.565 5.592 -26.577 1.0 16.47 ? 304 A 1 -ATOM 5282 C CB A GLN A1 1 314 ? -19.4 3.855 -25.415 0.79 17.21 ? 304 A 1 -ATOM 5283 C CG A GLN A1 1 314 ? -20.194 2.877 -24.616 0.79 24.87 ? 304 A 1 -ATOM 5284 C CD A GLN A1 1 314 ? -20.661 1.688 -25.458 0.79 73.53 ? 304 A 1 -ATOM 5285 O OE1 A GLN A1 1 314 ? -20.007 1.285 -26.416 0.79 32.47 ? 304 A 1 -ATOM 5286 N NE2 A GLN A1 1 314 ? -21.806 1.131 -25.1 0.79 31.79 ? 304 A 1 -ATOM 5287 H H . GLN A1 1 314 ? -20.579 6.05 -24.816 1.0 17.81 ? 304 A 1 -ATOM 5288 H HA . GLN A1 1 314 ? -18.475 4.736 -23.812 1.0 20.79 ? 304 A 1 -ATOM 5289 H HB2 A GLN A1 1 314 ? -19.97 4.174 -26.132 0.79 20.65 ? 304 A 1 -ATOM 5290 H HB3 A GLN A1 1 314 ? -18.639 3.379 -25.782 0.79 20.65 ? 304 A 1 -ATOM 5291 H HG2 A GLN A1 1 314 ? -19.646 2.538 -23.891 0.79 29.84 ? 304 A 1 -ATOM 5292 H HG3 A GLN A1 1 314 ? -20.979 3.321 -24.258 0.79 29.84 ? 304 A 1 -ATOM 5293 H HE21 A GLN A1 1 314 ? -22.243 1.441 -24.427 0.79 38.15 ? 304 A 1 -ATOM 5294 H HE22 A GLN A1 1 314 ? -22.113 0.46 -25.54 0.79 38.15 ? 304 A 1 -ATOM 5295 N N . LEU A1 1 315 ? -17.1 6.765 -24.716 1.0 15.71 ? 305 A 1 -ATOM 5296 C CA . LEU A1 1 315 ? -16.03 7.542 -25.374 1.0 15.41 ? 305 A 1 -ATOM 5297 C C . LEU A1 1 315 ? -14.989 6.586 -25.921 1.0 16.25 ? 305 A 1 -ATOM 5298 O O . LEU A1 1 315 ? -14.458 6.787 -27.031 1.0 15.31 ? 305 A 1 -ATOM 5299 C CB . LEU A1 1 315 ? -15.346 8.461 -24.376 1.0 15.3 ? 305 A 1 -ATOM 5300 C CG . LEU A1 1 315 ? -16.209 9.51 -23.675 1.0 15.67 ? 305 A 1 -ATOM 5301 C CD1 . LEU A1 1 315 ? -15.35 10.234 -22.596 1.0 16.07 ? 305 A 1 -ATOM 5302 C CD2 . LEU A1 1 315 ? -16.79 10.509 -24.636 1.0 16.96 ? 305 A 1 -ATOM 5303 H H . LEU A1 1 315 ? -17.232 6.972 -23.892 1.0 18.86 ? 305 A 1 -ATOM 5304 H HA . LEU A1 1 315 ? -16.42 8.083 -26.078 1.0 18.49 ? 305 A 1 -ATOM 5305 H HB2 . LEU A1 1 315 ? -14.958 7.907 -23.681 1.0 18.36 ? 305 A 1 -ATOM 5306 H HB3 . LEU A1 1 315 ? -14.647 8.941 -24.847 1.0 18.36 ? 305 A 1 -ATOM 5307 H HG . LEU A1 1 315 ? -16.961 9.063 -23.256 1.0 18.8 ? 305 A 1 -ATOM 5308 H HD11 . LEU A1 1 315 ? -15.9 10.894 -22.145 1.0 19.28 ? 305 A 1 -ATOM 5309 H HD12 . LEU A1 1 315 ? -15.028 9.579 -21.957 1.0 19.28 ? 305 A 1 -ATOM 5310 H HD13 . LEU A1 1 315 ? -14.599 10.669 -23.03 1.0 19.28 ? 305 A 1 -ATOM 5311 H HD21 . LEU A1 1 315 ? -17.342 11.136 -24.144 1.0 20.35 ? 305 A 1 -ATOM 5312 H HD22 . LEU A1 1 315 ? -16.066 10.982 -25.076 1.0 20.35 ? 305 A 1 -ATOM 5313 H HD23 . LEU A1 1 315 ? -17.327 10.04 -25.293 1.0 20.35 ? 305 A 1 -ATOM 5314 N N . TYR A1 1 316 ? -14.673 5.548 -25.152 1.0 14.82 ? 306 A 1 -ATOM 5315 C CA . TYR A1 1 316 ? -13.669 4.543 -25.473 1.0 16.82 ? 306 A 1 -ATOM 5316 C C . TYR A1 1 316 ? -14.016 3.255 -24.754 1.0 15.9 ? 306 A 1 -ATOM 5317 O O . TYR A1 1 316 ? -14.711 3.276 -23.721 1.0 17.33 ? 306 A 1 -ATOM 5318 C CB . TYR A1 1 316 ? -12.248 5.01 -25.07 1.0 16.15 ? 306 A 1 -ATOM 5319 C CG . TYR A1 1 316 ? -12.156 5.626 -23.698 1.0 14.71 ? 306 A 1 -ATOM 5320 C CD1 . TYR A1 1 316 ? -12.046 4.836 -22.566 1.0 16.48 ? 306 A 1 -ATOM 5321 C CD2 . TYR A1 1 316 ? -12.173 6.982 -23.535 1.0 14.18 ? 306 A 1 -ATOM 5322 C CE1 . TYR A1 1 316 ? -11.97 5.433 -21.302 1.0 15.72 ? 306 A 1 -ATOM 5323 C CE2 . TYR A1 1 316 ? -12.12 7.56 -22.279 1.0 15.35 ? 306 A 1 -ATOM 5324 C CZ . TYR A1 1 316 ? -12.041 6.764 -21.184 1.0 13.22 ? 306 A 1 -ATOM 5325 O OH . TYR A1 1 316 ? -11.957 7.319 -19.915 1.0 16.85 ? 306 A 1 -ATOM 5326 H H . TYR A1 1 316 ? -15.05 5.395 -24.394 1.0 17.78 ? 306 A 1 -ATOM 5327 H HA . TYR A1 1 316 ? -13.683 4.374 -26.428 1.0 20.18 ? 306 A 1 -ATOM 5328 H HB2 . TYR A1 1 316 ? -11.655 4.242 -25.086 1.0 19.38 ? 306 A 1 -ATOM 5329 H HB3 . TYR A1 1 316 ? -11.948 5.675 -25.71 1.0 19.38 ? 306 A 1 -ATOM 5330 H HD1 . TYR A1 1 316 ? -12.022 3.909 -22.646 1.0 19.77 ? 306 A 1 -ATOM 5331 H HD2 . TYR A1 1 316 ? -12.223 7.529 -24.286 1.0 17.01 ? 306 A 1 -ATOM 5332 H HE1 . TYR A1 1 316 ? -11.87 4.904 -20.543 1.0 18.87 ? 306 A 1 -ATOM 5333 H HE2 . TYR A1 1 316 ? -12.138 8.485 -22.187 1.0 18.42 ? 306 A 1 -ATOM 5334 H HH . TYR A1 1 316 ? -12.029 8.154 -19.961 1.0 20.21 ? 306 A 1 -ATOM 5335 N N . PRO A1 1 317 ? -13.536 2.128 -25.241 1.0 17.12 ? 307 A 1 -ATOM 5336 C CA . PRO A1 1 317 ? -13.842 0.847 -24.607 1.0 18.02 ? 307 A 1 -ATOM 5337 C C . PRO A1 1 317 ? -13.255 0.758 -23.21 1.0 18.07 ? 307 A 1 -ATOM 5338 O O . PRO A1 1 317 ? -12.182 1.317 -22.92 1.0 19.39 ? 307 A 1 -ATOM 5339 C CB . PRO A1 1 317 ? -13.237 -0.198 -25.558 1.0 20.8 ? 307 A 1 -ATOM 5340 C CG . PRO A1 1 317 ? -12.238 0.542 -26.322 1.0 23.69 ? 307 A 1 -ATOM 5341 C CD . PRO A1 1 317 ? -12.718 1.944 -26.454 1.0 18.49 ? 307 A 1 -ATOM 5342 H HA . PRO A1 1 317 ? -14.801 0.708 -24.563 1.0 21.62 ? 307 A 1 -ATOM 5343 H HB2 . PRO A1 1 317 ? -12.827 -0.914 -25.048 1.0 24.96 ? 307 A 1 -ATOM 5344 H HB3 . PRO A1 1 317 ? -13.926 -0.558 -26.139 1.0 24.96 ? 307 A 1 -ATOM 5345 H HG2 . PRO A1 1 317 ? -11.392 0.519 -25.848 1.0 28.42 ? 307 A 1 -ATOM 5346 H HG3 . PRO A1 1 317 ? -12.139 0.135 -27.197 1.0 28.42 ? 307 A 1 -ATOM 5347 H HD2 . PRO A1 1 317 ? -11.974 2.566 -26.468 1.0 22.19 ? 307 A 1 -ATOM 5348 H HD3 . PRO A1 1 317 ? -13.256 2.052 -27.254 1.0 22.19 ? 307 A 1 -ATOM 5349 N N . GLY A1 1 318 ? -13.971 0.031 -22.367 1.0 19.52 ? 308 A 1 -ATOM 5350 C CA . GLY A1 1 318 ? -13.543 -0.183 -20.986 1.0 19.47 ? 308 A 1 -ATOM 5351 C C . GLY A1 1 318 ? -13.8 0.961 -20.06 1.0 19.42 ? 308 A 1 -ATOM 5352 O O . GLY A1 1 318 ? -13.447 0.854 -18.878 1.0 19.58 ? 308 A 1 -ATOM 5353 H H . GLY A1 1 318 ? -14.714 -0.353 -22.567 1.0 23.43 ? 308 A 1 -ATOM 5354 H HA2 . GLY A1 1 318 ? -14.007 -0.958 -20.634 1.0 23.37 ? 308 A 1 -ATOM 5355 H HA3 . GLY A1 1 318 ? -12.589 -0.358 -20.981 1.0 23.37 ? 308 A 1 -ATOM 5356 N N . LYS A1 1 319 ? -14.383 2.061 -20.539 1.0 20.14 ? 309 A 1 -ATOM 5357 C CA . LYS A1 1 319 ? -14.572 3.242 -19.69 1.0 18.89 ? 309 A 1 -ATOM 5358 C C . LYS A1 1 319 ? -15.468 2.964 -18.5 1.0 21.67 ? 309 A 1 -ATOM 5359 O O . LYS A1 1 319 ? -15.23 3.451 -17.389 1.0 20.12 ? 309 A 1 -ATOM 5360 C CB . LYS A1 1 319 ? -15.172 4.345 -20.494 1.0 17.63 ? 309 A 1 -ATOM 5361 C CG . LYS A1 1 319 ? -15.379 5.642 -19.676 1.0 18.42 ? 309 A 1 -ATOM 5362 C CD . LYS A1 1 319 ? -15.923 6.751 -20.479 1.0 20.1 ? 309 A 1 -ATOM 5363 C CE . LYS A1 1 319 ? -16.266 7.969 -19.631 1.0 19.54 ? 309 A 1 -ATOM 5364 N NZ . LYS A1 1 319 ? -17.229 7.634 -18.517 1.0 22.39 ? 309 A 1 -ATOM 5365 H H . LYS A1 1 319 ? -14.676 2.151 -21.343 1.0 24.17 ? 309 A 1 -ATOM 5366 H HA . LYS A1 1 319 ? -13.701 3.508 -19.358 1.0 22.67 ? 309 A 1 -ATOM 5367 H HB2 . LYS A1 1 319 ? -14.583 4.55 -21.237 1.0 21.16 ? 309 A 1 -ATOM 5368 H HB3 . LYS A1 1 319 ? -16.037 4.059 -20.826 1.0 21.16 ? 309 A 1 -ATOM 5369 H HG2 . LYS A1 1 319 ? -16.001 5.464 -18.954 1.0 22.1 ? 309 A 1 -ATOM 5370 H HG3 . LYS A1 1 319 ? -14.525 5.927 -19.315 1.0 22.1 ? 309 A 1 -ATOM 5371 H HD2 . LYS A1 1 319 ? -15.264 7.02 -21.139 1.0 24.12 ? 309 A 1 -ATOM 5372 H HD3 . LYS A1 1 319 ? -16.734 6.455 -20.922 1.0 24.12 ? 309 A 1 -ATOM 5373 H HE2 . LYS A1 1 319 ? -15.453 8.319 -19.233 1.0 23.45 ? 309 A 1 -ATOM 5374 H HE3 . LYS A1 1 319 ? -16.677 8.644 -20.194 1.0 23.45 ? 309 A 1 -ATOM 5375 H HZ1 . LYS A1 1 319 ? -17.493 8.379 -18.109 1.0 26.86 ? 309 A 1 -ATOM 5376 H HZ2 . LYS A1 1 319 ? -17.942 7.217 -18.847 1.0 26.86 ? 309 A 1 -ATOM 5377 H HZ3 . LYS A1 1 319 ? -16.833 7.103 -17.922 1.0 26.86 ? 309 A 1 -ATOM 5378 N N . ILE A1 1 320 ? -16.517 2.178 -18.712 1.0 24.59 ? 310 A 1 -ATOM 5379 C CA . ILE A1 1 320 ? -17.585 1.995 -17.76 1.0 22.85 ? 310 A 1 -ATOM 5380 C C . ILE A1 1 320 ? -17.492 0.581 -17.212 1.0 24.84 ? 310 A 1 -ATOM 5381 O O . ILE A1 1 320 ? -17.293 -0.355 -17.989 1.0 29.21 ? 310 A 1 -ATOM 5382 C CB . ILE A1 1 320 ? -18.937 2.218 -18.478 1.0 24.18 ? 310 A 1 -ATOM 5383 C CG1 . ILE A1 1 320 ? -18.993 3.639 -19.055 1.0 32.19 ? 310 A 1 -ATOM 5384 C CG2 . ILE A1 1 320 ? -20.087 2.001 -17.498 1.0 26.48 ? 310 A 1 -ATOM 5385 C CD1 . ILE A1 1 320 ? -19.09 3.684 -20.578 1.0 31.92 ? 310 A 1 -ATOM 5386 H H . ILE A1 1 320 ? -16.629 1.723 -19.434 1.0 29.51 ? 310 A 1 -ATOM 5387 H HA . ILE A1 1 320 ? -17.497 2.609 -17.014 1.0 27.42 ? 310 A 1 -ATOM 5388 H HB . ILE A1 1 320 ? -19.018 1.581 -19.205 1.0 29.02 ? 310 A 1 -ATOM 5389 H HG12 . ILE A1 1 320 ? -19.772 4.091 -18.696 1.0 38.62 ? 310 A 1 -ATOM 5390 H HG13 . ILE A1 1 320 ? -18.186 4.112 -18.797 1.0 38.62 ? 310 A 1 -ATOM 5391 H HG21 . ILE A1 1 320 ? -20.915 2.29 -17.914 1.0 31.77 ? 310 A 1 -ATOM 5392 H HG22 . ILE A1 1 320 ? -20.14 1.058 -17.277 1.0 31.77 ? 310 A 1 -ATOM 5393 H HG23 . ILE A1 1 320 ? -19.921 2.52 -16.696 1.0 31.77 ? 310 A 1 -ATOM 5394 H HD11 . ILE A1 1 320 ? -19.127 4.61 -20.865 1.0 38.3 ? 310 A 1 -ATOM 5395 H HD12 . ILE A1 1 320 ? -18.31 3.251 -20.958 1.0 38.3 ? 310 A 1 -ATOM 5396 H HD13 . ILE A1 1 320 ? -19.895 3.219 -20.857 1.0 38.3 ? 310 A 1 -ATOM 5397 N N . SER A1 1 321 ? -17.602 0.404 -15.902 1.0 22.11 ? 311 A 1 -ATOM 5398 C CA . SER A1 1 321 ? -17.868 -0.902 -15.328 1.0 26.14 ? 311 A 1 -ATOM 5399 C C . SER A1 1 321 ? -19.333 -0.976 -14.938 1.0 20.64 ? 311 A 1 -ATOM 5400 O O . SER A1 1 321 ? -19.854 -0.039 -14.314 1.0 27.49 ? 311 A 1 -ATOM 5401 C CB . SER A1 1 321 ? -17.051 -1.185 -14.068 1.0 24.66 ? 311 A 1 -ATOM 5402 O OG . SER A1 1 321 ? -17.387 -2.461 -13.589 1.0 26.64 ? 311 A 1 -ATOM 5403 H H . SER A1 1 321 ? -17.524 1.033 -15.321 1.0 26.53 ? 311 A 1 -ATOM 5404 H HA . SER A1 1 321 ? -17.636 -1.569 -15.993 1.0 31.37 ? 311 A 1 -ATOM 5405 H HB2 . SER A1 1 321 ? -16.105 -1.157 -14.282 1.0 29.59 ? 311 A 1 -ATOM 5406 H HB3 . SER A1 1 321 ? -17.257 -0.52 -13.392 1.0 29.59 ? 311 A 1 -ATOM 5407 H HG . SER A1 1 321 ? -16.962 -2.624 -12.883 1.0 31.97 ? 311 A 1 -ATOM 5408 N N . VAL A1 1 322 ? -19.937 -2.097 -15.243 1.0 23.31 ? 312 A 1 -ATOM 5409 C CA . VAL A1 1 322 ? -21.317 -2.34 -14.845 1.0 24.23 ? 312 A 1 -ATOM 5410 C C . VAL A1 1 322 ? -21.434 -3.435 -13.791 1.0 22.2 ? 312 A 1 -ATOM 5411 O O . VAL A1 1 322 ? -22.501 -3.895 -13.508 1.0 23.1 ? 312 A 1 -ATOM 5412 C CB . VAL A1 1 322 ? -22.224 -2.624 -16.05 1.0 40.4 ? 312 A 1 -ATOM 5413 C CG1 . VAL A1 1 322 ? -22.41 -1.349 -16.863 1.0 38.25 ? 312 A 1 -ATOM 5414 C CG2 . VAL A1 1 322 ? -21.653 -3.767 -16.876 1.0 27.49 ? 312 A 1 -ATOM 5415 H H . VAL A1 1 322 ? -19.574 -2.741 -15.682 1.0 27.98 ? 312 A 1 -ATOM 5416 H HA . VAL A1 1 322 ? -21.632 -1.522 -14.43 1.0 29.07 ? 312 A 1 -ATOM 5417 H HB . VAL A1 1 322 ? -23.103 -2.905 -15.753 1.0 48.47 ? 312 A 1 -ATOM 5418 H HG11 . VAL A1 1 322 ? -22.988 -1.537 -17.618 1.0 45.91 ? 312 A 1 -ATOM 5419 H HG12 . VAL A1 1 322 ? -22.814 -0.671 -16.299 1.0 45.91 ? 312 A 1 -ATOM 5420 H HG13 . VAL A1 1 322 ? -21.544 -1.045 -17.176 1.0 45.91 ? 312 A 1 -ATOM 5421 H HG21 . VAL A1 1 322 ? -22.284 -3.995 -17.577 1.0 32.99 ? 312 A 1 -ATOM 5422 H HG22 . VAL A1 1 322 ? -20.811 -3.485 -17.266 1.0 32.99 ? 312 A 1 -ATOM 5423 H HG23 . VAL A1 1 322 ? -21.51 -4.533 -16.298 1.0 32.99 ? 312 A 1 -ATOM 5424 N N . PHE A1 1 323 ? -20.31 -3.785 -13.16 1.0 23.98 ? 313 A 1 -ATOM 5425 C CA . PHE A1 1 323 ? -20.31 -4.833 -12.176 1.0 25.04 ? 313 A 1 -ATOM 5426 C C . PHE A1 1 323 ? -20.889 -4.409 -10.834 1.0 25.55 ? 313 A 1 -ATOM 5427 O O . PHE A1 1 323 ? -21.292 -5.278 -10.057 1.0 31.7 ? 313 A 1 -ATOM 5428 C CB . PHE A1 1 323 ? -18.858 -5.33 -11.995 1.0 31.16 ? 313 A 1 -ATOM 5429 C CG . PHE A1 1 323 ? -18.69 -6.807 -12.186 1.0 29.22 ? 313 A 1 -ATOM 5430 C CD1 . PHE A1 1 323 ? -19.032 -7.409 -13.373 1.0 33.8 ? 313 A 1 -ATOM 5431 C CD2 . PHE A1 1 323 ? -18.142 -7.577 -11.188 1.0 32.48 ? 313 A 1 -ATOM 5432 C CE1 . PHE A1 1 323 ? -18.87 -8.785 -13.528 1.0 36.76 ? 313 A 1 -ATOM 5433 C CE2 . PHE A1 1 323 ? -17.981 -8.924 -11.345 1.0 40.01 ? 313 A 1 -ATOM 5434 C CZ . PHE A1 1 323 ? -18.351 -9.517 -12.532 1.0 43.86 ? 313 A 1 -ATOM 5435 H H . PHE A1 1 323 ? -19.542 -3.422 -13.294 1.0 28.78 ? 313 A 1 -ATOM 5436 H HA . PHE A1 1 323 ? -20.861 -5.567 -12.489 1.0 30.04 ? 313 A 1 -ATOM 5437 H HB2 . PHE A1 1 323 ? -18.293 -4.883 -12.644 1.0 37.39 ? 313 A 1 -ATOM 5438 H HB3 . PHE A1 1 323 ? -18.565 -5.114 -11.096 1.0 37.39 ? 313 A 1 -ATOM 5439 H HD1 . PHE A1 1 323 ? -19.372 -6.899 -14.073 1.0 40.56 ? 313 A 1 -ATOM 5440 H HD2 . PHE A1 1 323 ? -17.877 -7.175 -10.393 1.0 38.97 ? 313 A 1 -ATOM 5441 H HE1 . PHE A1 1 323 ? -19.121 -9.195 -14.323 1.0 44.11 ? 313 A 1 -ATOM 5442 H HE2 . PHE A1 1 323 ? -17.624 -9.437 -10.656 1.0 48.01 ? 313 A 1 -ATOM 5443 H HZ . PHE A1 1 323 ? -18.241 -10.434 -12.643 1.0 52.63 ? 313 A 1 -ATOM 5444 N N . GLU A1 1 324 ? -20.959 -3.11 -10.558 1.0 24.69 ? 314 A 1 -ATOM 5445 C CA . GLU A1 1 324 ? -21.51 -2.624 -9.29 1.0 24.5 ? 314 A 1 -ATOM 5446 C C . GLU A1 1 324 ? -22.658 -1.64 -9.554 1.0 25.68 ? 314 A 1 -ATOM 5447 O O . GLU A1 1 324 ? -22.822 -1.103 -10.658 1.0 24.92 ? 314 A 1 -ATOM 5448 C CB . GLU A1 1 324 ? -20.437 -1.928 -8.438 1.0 27.86 ? 314 A 1 -ATOM 5449 C CG . GLU A1 1 324 ? -19.16 -2.751 -8.139 1.0 52.87 ? 314 A 1 -ATOM 5450 C CD . GLU A1 1 324 ? -19.422 -3.945 -7.245 1.0 83.51 ? 314 A 1 -ATOM 5451 O OE1 . GLU A1 1 324 ? -20.33 -3.856 -6.393 1.0 102.39 ? 314 A 1 -ATOM 5452 O OE2 . GLU A1 1 324 ? -18.723 -4.974 -7.392 1.0 83.86 ? 314 A 1 -ATOM 5453 H H . GLU A1 1 324 ? -20.694 -2.487 -11.088 1.0 29.63 ? 314 A 1 -ATOM 5454 H HA . GLU A1 1 324 ? -21.859 -3.381 -8.793 1.0 29.4 ? 314 A 1 -ATOM 5455 H HB2 . GLU A1 1 324 ? -20.156 -1.124 -8.903 1.0 33.43 ? 314 A 1 -ATOM 5456 H HB3 . GLU A1 1 324 ? -20.833 -1.695 -7.584 1.0 33.43 ? 314 A 1 -ATOM 5457 H HG2 . GLU A1 1 324 ? -18.794 -3.079 -8.975 1.0 63.44 ? 314 A 1 -ATOM 5458 H HG3 . GLU A1 1 324 ? -18.514 -2.18 -7.695 1.0 63.44 ? 314 A 1 -ATOM 5459 N N . LYS A1 1 325 ? -23.476 -1.436 -8.531 1.0 25.65 ? 315 A 1 -ATOM 5460 C CA . LYS A1 1 325 ? -24.557 -0.449 -8.595 1.0 25.72 ? 315 A 1 -ATOM 5461 C C . LYS A1 1 325 ? -24.026 0.953 -8.89 1.0 21.53 ? 315 A 1 -ATOM 5462 O O . LYS A1 1 325 ? -22.887 1.295 -8.589 1.0 21.86 ? 315 A 1 -ATOM 5463 C CB . LYS A1 1 325 ? -25.325 -0.44 -7.254 1.0 31.43 ? 315 A 1 -ATOM 5464 C CG . LYS A1 1 325 ? -24.549 0.06 -6.041 1.0 73.12 ? 315 A 1 -ATOM 5465 C CD . LYS A1 1 325 ? -25.355 -0.162 -4.756 1.0 65.48 ? 315 A 1 -ATOM 5466 H H . LYS A1 1 325 ? -23.431 -1.855 -7.781 1.0 30.78 ? 315 A 1 -ATOM 5467 H HA . LYS A1 1 325 ? -25.163 -0.689 -9.313 1.0 30.86 ? 315 A 1 -ATOM 5468 H HB2 . LYS A1 1 325 ? -26.101 0.132 -7.353 1.0 37.72 ? 315 A 1 -ATOM 5469 H HB3 . LYS A1 1 325 ? -25.605 -1.349 -7.059 1.0 37.72 ? 315 A 1 -ATOM 5470 H HG2 . LYS A1 1 325 ? -23.712 -0.424 -5.969 1.0 87.74 ? 315 A 1 -ATOM 5471 H HG3 . LYS A1 1 325 ? -24.376 1.01 -6.137 1.0 87.74 ? 315 A 1 -ATOM 5472 N N . ASP A1 1 326 ? -24.868 1.794 -9.538 1.0 19.92 ? 316 A 1 -ATOM 5473 C CA . ASP A1 1 326 ? -24.454 3.09 -10.013 1.0 18.3 ? 316 A 1 -ATOM 5474 C C . ASP A1 1 326 ? -24.228 4.137 -8.931 1.0 19.27 ? 316 A 1 -ATOM 5475 O O . ASP A1 1 326 ? -23.816 5.241 -9.24 1.0 20.65 ? 316 A 1 -ATOM 5476 C CB . ASP A1 1 326 ? -25.371 3.597 -11.129 1.0 17.69 ? 316 A 1 -ATOM 5477 C CG . ASP A1 1 326 ? -26.736 3.983 -10.663 1.0 18.65 ? 316 A 1 -ATOM 5478 O OD1 . ASP A1 1 326 ? -26.908 4.285 -9.447 1.0 21.16 ? 316 A 1 -ATOM 5479 O OD2 . ASP A1 1 326 ? -27.682 4.022 -11.449 1.0 19.7 ? 316 A 1 -ATOM 5480 H H . ASP A1 1 326 ? -25.692 1.615 -9.707 1.0 23.91 ? 316 A 1 -ATOM 5481 H HA . ASP A1 1 326 ? -23.583 2.973 -10.423 1.0 21.96 ? 316 A 1 -ATOM 5482 H HB2 . ASP A1 1 326 ? -24.966 4.379 -11.535 1.0 21.23 ? 316 A 1 -ATOM 5483 H HB3 . ASP A1 1 326 ? -25.473 2.895 -11.791 1.0 21.23 ? 316 A 1 -ATOM 5484 N N . THR A1 1 327 ? -24.415 3.789 -7.668 1.0 20.47 ? 317 A 1 -ATOM 5485 C CA . THR A1 1 327 ? -24.059 4.685 -6.564 1.0 21.89 ? 317 A 1 -ATOM 5486 C C . THR A1 1 327 ? -22.764 4.293 -5.893 1.0 24.01 ? 317 A 1 -ATOM 5487 O O . THR A1 1 327 ? -22.422 4.87 -4.856 1.0 23.85 ? 317 A 1 -ATOM 5488 C CB . THR A1 1 327 ? -25.153 4.702 -5.506 1.0 24.67 ? 317 A 1 -ATOM 5489 O OG1 . THR A1 1 327 ? -25.482 3.363 -5.172 1.0 27.53 ? 317 A 1 -ATOM 5490 C CG2 . THR A1 1 327 ? -26.396 5.4 -6.009 1.0 25.25 ? 317 A 1 -ATOM 5491 H H . THR A1 1 327 ? -24.749 3.036 -7.417 1.0 24.57 ? 317 A 1 -ATOM 5492 H HA . THR A1 1 327 ? -23.971 5.576 -6.935 1.0 26.27 ? 317 A 1 -ATOM 5493 H HB . THR A1 1 327 ? -24.837 5.183 -4.726 1.0 29.61 ? 317 A 1 -ATOM 5494 H HG1 . THR A1 1 327 ? -26.102 3.352 -4.605 1.0 33.03 ? 317 A 1 -ATOM 5495 H HG21 . THR A1 1 327 ? -27.08 5.395 -5.322 1.0 30.3 ? 317 A 1 -ATOM 5496 H HG22 . THR A1 1 327 ? -26.19 6.319 -6.241 1.0 30.3 ? 317 A 1 -ATOM 5497 H HG23 . THR A1 1 327 ? -26.737 4.945 -6.796 1.0 30.3 ? 317 A 1 -ATOM 5498 N N . ALA A1 1 328 ? -22.009 3.37 -6.455 1.0 18.76 ? 318 A 1 -ATOM 5499 C CA . ALA A1 1 328 ? -20.843 2.86 -5.758 1.0 19.62 ? 318 A 1 -ATOM 5500 C C . ALA A1 1 328 ? -19.644 3.769 -5.899 1.0 18.27 ? 318 A 1 -ATOM 5501 O O . ALA A1 1 328 ? -18.714 3.686 -5.088 1.0 19.65 ? 318 A 1 -ATOM 5502 C CB . ALA A1 1 328 ? -20.469 1.477 -6.311 1.0 26.21 ? 318 A 1 -ATOM 5503 H H . ALA A1 1 328 ? -22.148 3.024 -7.23 1.0 22.51 ? 318 A 1 -ATOM 5504 H HA . ALA A1 1 328 ? -21.059 2.774 -4.817 1.0 23.55 ? 318 A 1 -ATOM 5505 H HB1 . ALA A1 1 328 ? -19.69 1.147 -5.836 1.0 31.46 ? 318 A 1 -ATOM 5506 H HB2 . ALA A1 1 328 ? -21.216 0.872 -6.182 1.0 31.46 ? 318 A 1 -ATOM 5507 H HB3 . ALA A1 1 328 ? -20.269 1.558 -7.257 1.0 31.46 ? 318 A 1 -ATOM 5508 N N . SER A1 1 329 ? -19.561 4.622 -6.929 1.0 18.3 ? 319 A 1 -ATOM 5509 C CA . SER A1 1 329 ? -18.293 5.27 -7.242 1.0 17.23 ? 319 A 1 -ATOM 5510 C C . SER A1 1 329 ? -17.842 6.284 -6.188 1.0 17.17 ? 319 A 1 -ATOM 5511 O O . SER A1 1 329 ? -16.639 6.365 -5.917 1.0 17.99 ? 319 A 1 -ATOM 5512 C CB . SER A1 1 329 ? -18.312 5.978 -8.581 1.0 16.69 ? 319 A 1 -ATOM 5513 O OG . SER A1 1 329 ? -19.32 6.988 -8.53 1.0 19.34 ? 319 A 1 -ATOM 5514 H H . SER A1 1 329 ? -20.214 4.836 -7.447 1.0 21.96 ? 319 A 1 -ATOM 5515 H HA . SER A1 1 329 ? -17.657 4.539 -7.279 1.0 20.67 ? 319 A 1 -ATOM 5516 H HB2 . SER A1 1 329 ? -17.448 6.387 -8.747 1.0 20.03 ? 319 A 1 -ATOM 5517 H HB3 . SER A1 1 329 ? -18.519 5.344 -9.284 1.0 20.03 ? 319 A 1 -ATOM 5518 H HG . SER A1 1 329 ? -19.361 7.39 -9.267 1.0 23.2 ? 319 A 1 -ATOM 5519 N N . ILE A1 1 330 ? -18.751 7.058 -5.601 1.0 17.95 ? 320 A 1 -ATOM 5520 C CA . ILE A1 1 330 ? -18.299 8.056 -4.626 1.0 16.79 ? 320 A 1 -ATOM 5521 C C . ILE A1 1 330 ? -17.751 7.36 -3.392 1.0 18.68 ? 320 A 1 -ATOM 5522 O O . ILE A1 1 330 ? -16.625 7.67 -2.977 1.0 17.76 ? 320 A 1 -ATOM 5523 C CB . ILE A1 1 330 ? -19.393 9.109 -4.365 1.0 17.5 ? 320 A 1 -ATOM 5524 C CG1 . ILE A1 1 330 ? -19.606 9.965 -5.622 1.0 17.26 ? 320 A 1 -ATOM 5525 C CG2 . ILE A1 1 330 ? -18.974 10.004 -3.216 1.0 19.47 ? 320 A 1 -ATOM 5526 C CD1 . ILE A1 1 330 ? -20.823 10.857 -5.525 1.0 18.92 ? 320 A 1 -ATOM 5527 H H . ILE A1 1 330 ? -19.599 7.028 -5.743 1.0 21.54 ? 320 A 1 -ATOM 5528 H HA . ILE A1 1 330 ? -17.541 8.549 -4.978 1.0 20.15 ? 320 A 1 -ATOM 5529 H HB . ILE A1 1 330 ? -20.219 8.653 -4.142 1.0 21.0 ? 320 A 1 -ATOM 5530 H HG12 . ILE A1 1 330 ? -18.829 10.531 -5.754 1.0 20.71 ? 320 A 1 -ATOM 5531 H HG13 . ILE A1 1 330 ? -19.723 9.38 -6.386 1.0 20.71 ? 320 A 1 -ATOM 5532 H HG21 . ILE A1 1 330 ? -19.58 10.759 -3.166 1.0 23.37 ? 320 A 1 -ATOM 5533 H HG22 . ILE A1 1 330 ? -19.011 9.496 -2.39 1.0 23.37 ? 320 A 1 -ATOM 5534 H HG23 . ILE A1 1 330 ? -18.069 10.316 -3.372 1.0 23.37 ? 320 A 1 -ATOM 5535 H HD11 . ILE A1 1 330 ? -21.021 11.218 -6.404 1.0 22.71 ? 320 A 1 -ATOM 5536 H HD12 . ILE A1 1 330 ? -21.575 10.333 -5.206 1.0 22.71 ? 320 A 1 -ATOM 5537 H HD13 . ILE A1 1 330 ? -20.637 11.58 -4.905 1.0 22.71 ? 320 A 1 -ATOM 5538 N N . PRO A1 1 331 ? -18.468 6.397 -2.778 1.0 18.49 ? 321 A 1 -ATOM 5539 C CA . PRO A1 1 331 ? -17.845 5.67 -1.65 1.0 18.55 ? 321 A 1 -ATOM 5540 C C . PRO A1 1 331 ? -16.558 4.984 -2.046 1.0 20.0 ? 321 A 1 -ATOM 5541 O O . PRO A1 1 331 ? -15.611 4.912 -1.243 1.0 21.27 ? 321 A 1 -ATOM 5542 C CB . PRO A1 1 331 ? -18.927 4.668 -1.24 1.0 23.13 ? 321 A 1 -ATOM 5543 C CG . PRO A1 1 331 ? -20.183 5.237 -1.751 1.0 24.74 ? 321 A 1 -ATOM 5544 C CD . PRO A1 1 331 ? -19.89 6.048 -2.958 1.0 18.85 ? 321 A 1 -ATOM 5545 H HA . PRO A1 1 331 ? -17.679 6.27 -0.906 1.0 22.26 ? 321 A 1 -ATOM 5546 H HB2 . PRO A1 1 331 ? -18.747 3.805 -1.643 1.0 27.76 ? 321 A 1 -ATOM 5547 H HB3 . PRO A1 1 331 ? -18.951 4.585 -0.274 1.0 27.76 ? 321 A 1 -ATOM 5548 H HG2 . PRO A1 1 331 ? -20.787 4.512 -1.977 1.0 29.69 ? 321 A 1 -ATOM 5549 H HG3 . PRO A1 1 331 ? -20.578 5.796 -1.063 1.0 29.69 ? 321 A 1 -ATOM 5550 H HD2 . PRO A1 1 331 ? -20.02 5.527 -3.766 1.0 22.62 ? 321 A 1 -ATOM 5551 H HD3 . PRO A1 1 331 ? -20.443 6.845 -2.984 1.0 22.62 ? 321 A 1 -ATOM 5552 N N A SER A1 1 332 ? -16.507 4.448 -3.256 0.56 19.79 ? 322 A 1 -ATOM 5553 N N B SER A1 1 332 ? -16.441 4.496 -3.281 0.44 20.37 ? 322 A 1 -ATOM 5554 C CA A SER A1 1 332 ? -15.303 3.768 -3.692 0.56 20.98 ? 322 A 1 -ATOM 5555 C CA B SER A1 1 332 ? -15.237 3.759 -3.674 0.44 19.27 ? 322 A 1 -ATOM 5556 C C A SER A1 1 332 ? -14.123 4.718 -3.647 0.56 23.17 ? 322 A 1 -ATOM 5557 C C B SER A1 1 332 ? -14.028 4.68 -3.83 0.44 16.26 ? 322 A 1 -ATOM 5558 O O A SER A1 1 332 ? -13.097 4.395 -3.022 0.56 20.9 ? 322 A 1 -ATOM 5559 O O B SER A1 1 332 ? -12.874 4.295 -3.549 0.44 15.88 ? 322 A 1 -ATOM 5560 C CB A SER A1 1 332 ? -15.463 3.204 -5.099 0.56 24.07 ? 322 A 1 -ATOM 5561 C CB B SER A1 1 332 ? -15.483 3.03 -4.989 0.44 21.2 ? 322 A 1 -ATOM 5562 O OG A SER A1 1 332 ? -14.279 2.531 -5.479 0.56 23.29 ? 322 A 1 -ATOM 5563 O OG B SER A1 1 332 ? -16.397 1.978 -4.789 0.44 28.67 ? 322 A 1 -ATOM 5564 H H A SER A1 1 332 ? -17.146 4.463 -3.832 0.56 23.75 ? 322 A 1 -ATOM 5565 H H B SER A1 1 332 ? -17.033 4.574 -3.9 0.44 24.44 ? 322 A 1 -ATOM 5566 H HA A SER A1 1 332 ? -15.144 3.02 -3.096 0.56 25.17 ? 322 A 1 -ATOM 5567 H HA B SER A1 1 332 ? -15.041 3.113 -2.977 0.44 23.12 ? 322 A 1 -ATOM 5568 H HB2 A SER A1 1 332 ? -16.205 2.58 -5.112 0.56 28.88 ? 322 A 1 -ATOM 5569 H HB2 B SER A1 1 332 ? -15.85 3.653 -5.636 0.44 25.44 ? 322 A 1 -ATOM 5570 H HB3 A SER A1 1 332 ? -15.631 3.932 -5.719 0.56 28.88 ? 322 A 1 -ATOM 5571 H HB3 B SER A1 1 332 ? -14.645 2.667 -5.315 0.44 25.44 ? 322 A 1 -ATOM 5572 H HG A SER A1 1 332 ? -14.361 2.221 -6.255 0.56 27.94 ? 322 A 1 -ATOM 5573 H HG B SER A1 1 332 ? -17.134 2.283 -4.525 0.44 34.4 ? 322 A 1 -ATOM 5574 N N . VAL A1 1 333 ? -14.249 5.892 -4.303 1.0 18.49 ? 323 A 1 -ATOM 5575 C CA . VAL A1 1 333 ? -13.124 6.833 -4.349 1.0 18.01 ? 323 A 1 -ATOM 5576 C C . VAL A1 1 333 ? -12.791 7.329 -2.952 1.0 18.58 ? 323 A 1 -ATOM 5577 O O . VAL A1 1 333 ? -11.62 7.585 -2.675 1.0 18.77 ? 323 A 1 -ATOM 5578 C CB . VAL A1 1 333 ? -13.245 7.971 -5.382 1.0 17.37 ? 323 A 1 -ATOM 5579 C CG1 . VAL A1 1 333 ? -13.41 7.427 -6.784 1.0 19.45 ? 323 A 1 -ATOM 5580 C CG2 . VAL A1 1 333 ? -14.297 8.915 -5.053 1.0 19.52 ? 323 A 1 -ATOM 5581 H H A VAL A1 1 333 ? -14.957 6.154 -4.715 0.56 22.18 ? 323 A 1 -ATOM 5582 H H B VAL A1 1 333 ? -15.002 6.19 -4.592 0.44 22.18 ? 323 A 1 -ATOM 5583 H HA . VAL A1 1 333 ? -12.375 6.32 -4.692 1.0 21.61 ? 323 A 1 -ATOM 5584 H HB . VAL A1 1 333 ? -12.413 8.469 -5.354 1.0 20.84 ? 323 A 1 -ATOM 5585 H HG11 . VAL A1 1 333 ? -13.461 8.169 -7.407 1.0 23.34 ? 323 A 1 -ATOM 5586 H HG12 . VAL A1 1 333 ? -12.647 6.868 -6.998 1.0 23.34 ? 323 A 1 -ATOM 5587 H HG13 . VAL A1 1 333 ? -14.226 6.904 -6.826 1.0 23.34 ? 323 A 1 -ATOM 5588 H HG21 . VAL A1 1 333 ? -14.403 9.539 -5.788 1.0 23.42 ? 323 A 1 -ATOM 5589 H HG22 . VAL A1 1 333 ? -15.124 8.429 -4.909 1.0 23.42 ? 323 A 1 -ATOM 5590 H HG23 . VAL A1 1 333 ? -14.05 9.394 -4.246 1.0 23.42 ? 323 A 1 -ATOM 5591 N N . MET A1 1 334 ? -13.763 7.47 -2.07 1.0 18.53 ? 324 A 1 -ATOM 5592 C CA A MET A1 1 334 ? -13.414 7.85 -0.705 0.69 21.48 ? 324 A 1 -ATOM 5593 C CA B MET A1 1 334 ? -13.446 7.833 -0.687 0.31 14.97 ? 324 A 1 -ATOM 5594 C C . MET A1 1 334 ? -12.542 6.794 -0.038 1.0 20.99 ? 324 A 1 -ATOM 5595 O O . MET A1 1 334 ? -11.567 7.134 0.663 1.0 20.29 ? 324 A 1 -ATOM 5596 C CB A MET A1 1 334 ? -14.684 8.131 0.089 0.69 25.64 ? 324 A 1 -ATOM 5597 C CB B MET A1 1 334 ? -14.738 7.951 0.121 0.31 15.87 ? 324 A 1 -ATOM 5598 C CG A MET A1 1 334 ? -15.387 9.377 -0.412 0.69 20.52 ? 324 A 1 -ATOM 5599 C CG B MET A1 1 334 ? -15.628 9.09 -0.286 0.31 23.18 ? 324 A 1 -ATOM 5600 S SD A MET A1 1 334 ? -16.93 9.689 0.457 0.69 25.19 ? 324 A 1 -ATOM 5601 S SD B MET A1 1 334 ? -15.039 10.637 0.414 0.31 29.02 ? 324 A 1 -ATOM 5602 C CE A MET A1 1 334 ? -17.375 11.339 -0.101 0.69 27.29 ? 324 A 1 -ATOM 5603 C CE B MET A1 1 334 ? -16.506 11.662 0.169 0.31 28.71 ? 324 A 1 -ATOM 5604 H H A MET A1 1 334 ? -14.602 7.358 -2.224 0.69 22.23 ? 324 A 1 -ATOM 5605 H H B MET A1 1 334 ? -14.601 7.366 -2.234 0.31 22.23 ? 324 A 1 -ATOM 5606 H HA A MET A1 1 334 ? -12.903 8.675 -0.724 0.69 25.78 ? 324 A 1 -ATOM 5607 H HA B MET A1 1 334 ? -12.996 8.693 -0.693 0.31 17.97 ? 324 A 1 -ATOM 5608 H HB2 A MET A1 1 334 ? -15.291 7.38 -0.001 0.69 30.77 ? 324 A 1 -ATOM 5609 H HB2 B MET A1 1 334 ? -15.244 7.131 0.014 0.31 19.05 ? 324 A 1 -ATOM 5610 H HB3 A MET A1 1 334 ? -14.456 8.262 1.023 0.69 30.77 ? 324 A 1 -ATOM 5611 H HB3 B MET A1 1 334 ? -14.507 8.08 1.054 0.31 19.05 ? 324 A 1 -ATOM 5612 H HG2 A MET A1 1 334 ? -14.807 10.143 -0.28 0.69 24.62 ? 324 A 1 -ATOM 5613 H HG2 B MET A1 1 334 ? -15.631 9.17 -1.253 0.31 27.81 ? 324 A 1 -ATOM 5614 H HG3 A MET A1 1 334 ? -15.587 9.271 -1.355 0.69 24.62 ? 324 A 1 -ATOM 5615 H HG3 B MET A1 1 334 ? -16.528 8.929 0.036 0.31 27.81 ? 324 A 1 -ATOM 5616 H HE1 A MET A1 1 334 ? -18.197 11.61 0.339 0.69 32.75 ? 324 A 1 -ATOM 5617 H HE1 B MET A1 1 334 ? -16.331 12.551 0.514 0.31 34.45 ? 324 A 1 -ATOM 5618 H HE2 A MET A1 1 334 ? -16.66 11.953 0.128 0.69 32.75 ? 324 A 1 -ATOM 5619 H HE2 B MET A1 1 334 ? -16.705 11.708 -0.779 0.31 34.45 ? 324 A 1 -ATOM 5620 H HE3 A MET A1 1 334 ? -17.504 11.324 -1.062 0.69 32.75 ? 324 A 1 -ATOM 5621 H HE3 B MET A1 1 334 ? -17.252 11.264 0.645 0.31 34.45 ? 324 A 1 -ATOM 5622 N N . LYS A1 1 335 ? -12.847 5.511 -0.254 1.0 20.22 ? 325 A 1 -ATOM 5623 C CA . LYS A1 1 335 ? -12.03 4.446 0.314 1.0 22.9 ? 325 A 1 -ATOM 5624 C C . LYS A1 1 335 ? -10.635 4.482 -0.285 1.0 22.31 ? 325 A 1 -ATOM 5625 O O . LYS A1 1 335 ? -9.636 4.319 0.438 1.0 22.09 ? 325 A 1 -ATOM 5626 C CB . LYS A1 1 335 ? -12.7 3.096 0.034 1.0 25.33 ? 325 A 1 -ATOM 5627 C CG . LYS A1 1 335 ? -11.947 1.889 0.528 1.0 32.77 ? 325 A 1 -ATOM 5628 H H . LYS A1 1 335 ? -13.515 5.236 -0.721 1.0 24.27 ? 325 A 1 -ATOM 5629 H HA . LYS A1 1 335 ? -11.956 4.558 1.275 1.0 27.48 ? 325 A 1 -ATOM 5630 H HB2 . LYS A1 1 335 ? -13.57 3.091 0.464 1.0 30.39 ? 325 A 1 -ATOM 5631 H HB3 . LYS A1 1 335 ? -12.804 3.0 -0.926 1.0 30.39 ? 325 A 1 -ATOM 5632 N N . MET A1 1 336 ? -10.546 4.692 -1.601 1.0 20.03 ? 326 A 1 -ATOM 5633 C CA A MET A1 1 336 ? -9.263 4.79 -2.283 0.62 20.74 ? 326 A 1 -ATOM 5634 C CA B MET A1 1 336 ? -9.25 4.753 -2.241 0.38 20.43 ? 326 A 1 -ATOM 5635 C C . MET A1 1 336 ? -8.407 5.883 -1.669 1.0 20.03 ? 326 A 1 -ATOM 5636 O O . MET A1 1 336 ? -7.208 5.697 -1.41 1.0 19.47 ? 326 A 1 -ATOM 5637 C CB A MET A1 1 336 ? -9.502 5.092 -3.768 0.62 25.45 ? 326 A 1 -ATOM 5638 C CB B MET A1 1 336 ? -9.451 4.905 -3.737 0.38 18.49 ? 326 A 1 -ATOM 5639 C CG A MET A1 1 336 ? -8.246 5.553 -4.552 0.62 19.96 ? 326 A 1 -ATOM 5640 C CG B MET A1 1 336 ? -8.176 4.822 -4.524 0.38 20.42 ? 326 A 1 -ATOM 5641 S SD A MET A1 1 336 ? -8.43 6.191 -6.23 0.62 21.73 ? 326 A 1 -ATOM 5642 S SD B MET A1 1 336 ? -7.444 6.436 -4.523 0.38 23.72 ? 326 A 1 -ATOM 5643 C CE A MET A1 1 336 ? -9.641 5.062 -6.936 0.62 20.91 ? 326 A 1 -ATOM 5644 C CE B MET A1 1 336 ? -8.37 7.271 -5.805 0.38 37.75 ? 326 A 1 -ATOM 5645 H H A MET A1 1 336 ? -11.223 4.782 -2.124 0.62 24.03 ? 326 A 1 -ATOM 5646 H H B MET A1 1 336 ? -11.215 4.8 -2.13 0.38 24.03 ? 326 A 1 -ATOM 5647 H HA A MET A1 1 336 ? -8.801 3.941 -2.206 0.62 24.89 ? 326 A 1 -ATOM 5648 H HA B MET A1 1 336 ? -8.768 3.925 -2.089 0.38 24.51 ? 326 A 1 -ATOM 5649 H HB2 A MET A1 1 336 ? -9.833 4.287 -4.196 0.62 30.53 ? 326 A 1 -ATOM 5650 H HB2 B MET A1 1 336 ? -10.038 4.198 -4.047 0.38 22.19 ? 326 A 1 -ATOM 5651 H HB3 A MET A1 1 336 ? -10.163 5.8 -3.835 0.62 30.53 ? 326 A 1 -ATOM 5652 H HB3 B MET A1 1 336 ? -9.852 5.77 -3.912 0.38 22.19 ? 326 A 1 -ATOM 5653 H HG2 A MET A1 1 336 ? -7.827 6.261 -4.037 0.62 23.95 ? 326 A 1 -ATOM 5654 H HG2 B MET A1 1 336 ? -7.566 4.191 -4.11 0.38 24.5 ? 326 A 1 -ATOM 5655 H HG3 A MET A1 1 336 ? -7.649 4.791 -4.615 0.62 23.95 ? 326 A 1 -ATOM 5656 H HG3 B MET A1 1 336 ? -8.362 4.553 -5.437 0.38 24.5 ? 326 A 1 -ATOM 5657 H HE1 A MET A1 1 336 ? -9.786 5.295 -7.866 0.62 25.09 ? 326 A 1 -ATOM 5658 H HE1 B MET A1 1 336 ? -8.287 8.23 -5.682 0.38 45.3 ? 326 A 1 -ATOM 5659 H HE2 A MET A1 1 336 ? -9.303 4.155 -6.872 0.62 25.09 ? 326 A 1 -ATOM 5660 H HE2 B MET A1 1 336 ? -8.012 7.017 -6.67 0.38 45.3 ? 326 A 1 -ATOM 5661 H HE3 A MET A1 1 336 ? -10.472 5.14 -6.442 0.62 25.09 ? 326 A 1 -ATOM 5662 H HE3 B MET A1 1 336 ? -9.302 7.009 -5.743 0.38 45.3 ? 326 A 1 -ATOM 5663 N N . ILE A1 1 337 ? -9.008 7.045 -1.456 1.0 19.3 ? 327 A 1 -ATOM 5664 C CA . ILE A1 1 337 ? -8.285 8.185 -0.919 1.0 18.29 ? 327 A 1 -ATOM 5665 C C . ILE A1 1 337 ? -7.766 7.862 0.474 1.0 19.67 ? 327 A 1 -ATOM 5666 O O . ILE A1 1 337 ? -6.63 8.168 0.795 1.0 18.65 ? 327 A 1 -ATOM 5667 C CB . ILE A1 1 337 ? -9.208 9.411 -0.94 1.0 17.99 ? 327 A 1 -ATOM 5668 C CG1 . ILE A1 1 337 ? -9.442 9.865 -2.396 1.0 17.99 ? 327 A 1 -ATOM 5669 C CG2 . ILE A1 1 337 ? -8.632 10.553 -0.081 1.0 19.21 ? 327 A 1 -ATOM 5670 C CD1 . ILE A1 1 337 ? -10.619 10.882 -2.515 1.0 20.05 ? 327 A 1 -ATOM 5671 H H . ILE A1 1 337 ? -9.839 7.201 -1.615 1.0 23.17 ? 327 A 1 -ATOM 5672 H HA . ILE A1 1 337 ? -7.511 8.381 -1.47 1.0 21.95 ? 327 A 1 -ATOM 5673 H HB . ILE A1 1 337 ? -10.063 9.163 -0.555 1.0 21.58 ? 327 A 1 -ATOM 5674 H HG12 . ILE A1 1 337 ? -8.638 10.293 -2.729 1.0 21.59 ? 327 A 1 -ATOM 5675 H HG13 . ILE A1 1 337 ? -9.656 9.091 -2.94 1.0 21.59 ? 327 A 1 -ATOM 5676 H HG21 . ILE A1 1 337 ? -9.14 11.362 -0.248 1.0 23.05 ? 327 A 1 -ATOM 5677 H HG22 . ILE A1 1 337 ? -8.699 10.308 0.856 1.0 23.05 ? 327 A 1 -ATOM 5678 H HG23 . ILE A1 1 337 ? -7.702 10.691 -0.321 1.0 23.05 ? 327 A 1 -ATOM 5679 H HD11 . ILE A1 1 337 ? -10.795 11.052 -3.453 1.0 24.05 ? 327 A 1 -ATOM 5680 H HD12 . ILE A1 1 337 ? -11.407 10.504 -2.094 1.0 24.05 ? 327 A 1 -ATOM 5681 H HD13 . ILE A1 1 337 ? -10.369 11.707 -2.07 1.0 24.05 ? 327 A 1 -ATOM 5682 N N . GLU A1 1 338 ? -8.599 7.222 1.29 1.0 18.09 ? 328 A 1 -ATOM 5683 C CA A GLU A1 1 338 ? -8.161 6.822 2.623 0.49 18.56 ? 328 A 1 -ATOM 5684 C CA B GLU A1 1 338 ? -8.173 6.811 2.624 0.51 21.87 ? 328 A 1 -ATOM 5685 C C . GLU A1 1 338 ? -7.008 5.837 2.553 1.0 20.24 ? 328 A 1 -ATOM 5686 O O . GLU A1 1 338 ? -6.016 5.979 3.281 1.0 22.46 ? 328 A 1 -ATOM 5687 C CB A GLU A1 1 338 ? -9.353 6.201 3.355 0.49 22.8 ? 328 A 1 -ATOM 5688 C CB B GLU A1 1 338 ? -9.38 6.172 3.317 0.51 19.89 ? 328 A 1 -ATOM 5689 C CG A GLU A1 1 338 ? -9.003 5.668 4.756 0.49 25.23 ? 328 A 1 -ATOM 5690 C CG B GLU A1 1 338 ? -9.169 5.913 4.809 0.51 49.54 ? 328 A 1 -ATOM 5691 C CD A GLU A1 1 338 ? -8.568 6.758 5.711 0.49 58.17 ? 328 A 1 -ATOM 5692 C CD B GLU A1 1 338 ? -10.416 5.351 5.486 0.51 43.61 ? 328 A 1 -ATOM 5693 O OE1 A GLU A1 1 338 ? -9.03 7.909 5.557 0.49 48.71 ? 328 A 1 -ATOM 5694 O OE1 B GLU A1 1 338 ? -10.936 4.302 5.047 0.51 38.63 ? 328 A 1 -ATOM 5695 O OE2 A GLU A1 1 338 ? -7.769 6.464 6.628 0.49 62.69 ? 328 A 1 -ATOM 5696 O OE2 B GLU A1 1 338 ? -10.891 5.979 6.445 0.51 47.8 ? 328 A 1 -ATOM 5697 H H A GLU A1 1 338 ? -9.411 7.011 1.101 0.49 21.7 ? 328 A 1 -ATOM 5698 H H B GLU A1 1 338 ? -9.411 7.015 1.098 0.51 21.7 ? 328 A 1 -ATOM 5699 H HA A GLU A1 1 338 ? -7.85 7.598 3.114 0.49 22.27 ? 328 A 1 -ATOM 5700 H HA B GLU A1 1 338 ? -7.872 7.578 3.136 0.51 26.24 ? 328 A 1 -ATOM 5701 H HB2 A GLU A1 1 338 ? -10.042 6.876 3.458 0.49 27.36 ? 328 A 1 -ATOM 5702 H HB2 B GLU A1 1 338 ? -10.142 6.764 3.224 0.51 23.87 ? 328 A 1 -ATOM 5703 H HB3 A GLU A1 1 338 ? -9.69 5.459 2.83 0.49 27.36 ? 328 A 1 -ATOM 5704 H HB3 B GLU A1 1 338 ? -9.567 5.32 2.892 0.51 23.87 ? 328 A 1 -ATOM 5705 H HG2 A GLU A1 1 338 ? -9.784 5.234 5.132 0.49 30.27 ? 328 A 1 -ATOM 5706 H HG2 B GLU A1 1 338 ? -8.45 5.271 4.922 0.51 59.45 ? 328 A 1 -ATOM 5707 H HG3 A GLU A1 1 338 ? -8.275 5.031 4.678 0.49 30.27 ? 328 A 1 -ATOM 5708 H HG3 B GLU A1 1 338 ? -8.939 6.748 5.247 0.51 59.45 ? 328 A 1 -ATOM 5709 N N . LEU A1 1 339 ? -7.1 4.842 1.668 1.0 22.68 ? 329 A 1 -ATOM 5710 C CA . LEU A1 1 339 ? -6.038 3.845 1.535 1.0 24.7 ? 329 A 1 -ATOM 5711 C C . LEU A1 1 339 ? -4.731 4.46 1.075 1.0 24.0 ? 329 A 1 -ATOM 5712 O O . LEU A1 1 339 ? -3.659 3.939 1.408 1.0 25.64 ? 329 A 1 -ATOM 5713 C CB . LEU A1 1 339 ? -6.485 2.778 0.533 1.0 32.43 ? 329 A 1 -ATOM 5714 C CG . LEU A1 1 339 ? -7.118 1.491 1.054 1.0 44.48 ? 329 A 1 -ATOM 5715 C CD1 . LEU A1 1 339 ? -8.08 1.722 2.179 1.0 74.73 ? 329 A 1 -ATOM 5716 C CD2 . LEU A1 1 339 ? -7.807 0.758 -0.095 1.0 66.42 ? 329 A 1 -ATOM 5717 H H . LEU A1 1 339 ? -7.765 4.721 1.135 1.0 27.22 ? 329 A 1 -ATOM 5718 H HA . LEU A1 1 339 ? -5.882 3.434 2.399 1.0 29.64 ? 329 A 1 -ATOM 5719 H HB2 . LEU A1 1 339 ? -7.141 3.187 -0.054 1.0 38.92 ? 329 A 1 -ATOM 5720 H HB3 . LEU A1 1 339 ? -5.704 2.512 0.024 1.0 38.92 ? 329 A 1 -ATOM 5721 H HG . LEU A1 1 339 ? -6.409 0.937 1.418 1.0 53.37 ? 329 A 1 -ATOM 5722 H HD11 . LEU A1 1 339 ? -8.542 0.893 2.375 1.0 89.68 ? 329 A 1 -ATOM 5723 H HD12 . LEU A1 1 339 ? -7.586 2.018 2.96 1.0 89.68 ? 329 A 1 -ATOM 5724 H HD13 . LEU A1 1 339 ? -8.718 2.403 1.913 1.0 89.68 ? 329 A 1 -ATOM 5725 H HD21 . LEU A1 1 339 ? -8.174 -0.076 0.237 1.0 79.7 ? 329 A 1 -ATOM 5726 H HD22 . LEU A1 1 339 ? -8.518 1.317 -0.444 1.0 79.7 ? 329 A 1 -ATOM 5727 H HD23 . LEU A1 1 339 ? -7.155 0.579 -0.791 1.0 79.7 ? 329 A 1 -ATOM 5728 N N . LEU A1 1 340 ? -4.766 5.52 0.275 1.0 20.26 ? 330 A 1 -ATOM 5729 C CA . LEU A1 1 340 ? -3.58 6.235 -0.118 1.0 20.09 ? 330 A 1 -ATOM 5730 C C . LEU A1 1 340 ? -2.964 7.045 0.997 1.0 23.93 ? 330 A 1 -ATOM 5731 O O . LEU A1 1 340 ? -1.873 7.597 0.806 1.0 25.33 ? 330 A 1 -ATOM 5732 C CB . LEU A1 1 340 ? -3.881 7.178 -1.287 1.0 21.81 ? 330 A 1 -ATOM 5733 C CG . LEU A1 1 340 ? -4.106 6.543 -2.65 1.0 23.45 ? 330 A 1 -ATOM 5734 C CD1 . LEU A1 1 340 ? -4.53 7.631 -3.6 1.0 26.12 ? 330 A 1 -ATOM 5735 C CD2 . LEU A1 1 340 ? -2.864 5.84 -3.148 1.0 33.15 ? 330 A 1 -ATOM 5736 H H . LEU A1 1 340 ? -5.488 5.847 -0.058 1.0 24.31 ? 330 A 1 -ATOM 5737 H HA . LEU A1 1 340 ? -2.934 5.573 -0.409 1.0 24.11 ? 330 A 1 -ATOM 5738 H HB2 . LEU A1 1 340 ? -4.686 7.675 -1.07 1.0 26.18 ? 330 A 1 -ATOM 5739 H HB3 . LEU A1 1 340 ? -3.131 7.787 -1.379 1.0 26.18 ? 330 A 1 -ATOM 5740 H HG . LEU A1 1 340 ? -4.796 5.864 -2.594 1.0 28.14 ? 330 A 1 -ATOM 5741 H HD11 . LEU A1 1 340 ? -4.661 7.247 -4.481 1.0 31.35 ? 330 A 1 -ATOM 5742 H HD12 . LEU A1 1 340 ? -5.359 8.023 -3.283 1.0 31.35 ? 330 A 1 -ATOM 5743 H HD13 . LEU A1 1 340 ? -3.836 8.308 -3.634 1.0 31.35 ? 330 A 1 -ATOM 5744 H HD21 . LEU A1 1 340 ? -3.001 5.571 -4.07 1.0 39.78 ? 330 A 1 -ATOM 5745 H HD22 . LEU A1 1 340 ? -2.111 6.449 -3.09 1.0 39.78 ? 330 A 1 -ATOM 5746 H HD23 . LEU A1 1 340 ? -2.7 5.059 -2.597 1.0 39.78 ? 330 A 1 -ATOM 5747 N N . GLY A1 1 341 ? -3.664 7.173 2.104 1.0 20.69 ? 331 A 1 -ATOM 5748 C CA . GLY A1 1 341 ? -3.216 8.058 3.153 1.0 24.01 ? 331 A 1 -ATOM 5749 C C . GLY A1 1 341 ? -3.469 9.524 2.886 1.0 24.24 ? 331 A 1 -ATOM 5750 O O . GLY A1 1 341 ? -2.822 10.375 3.503 1.0 24.99 ? 331 A 1 -ATOM 5751 H H . GLY A1 1 341 ? -4.4 6.761 2.271 1.0 24.83 ? 331 A 1 -ATOM 5752 H HA2 . GLY A1 1 341 ? -3.673 7.822 3.976 1.0 28.81 ? 331 A 1 -ATOM 5753 H HA3 . GLY A1 1 341 ? -2.262 7.938 3.276 1.0 28.81 ? 331 A 1 -ATOM 5754 N N . ARG A1 1 342 ? -4.407 9.849 1.986 1.0 18.06 ? 332 A 1 -ATOM 5755 C CA . ARG A1 1 342 ? -4.792 11.208 1.636 1.0 17.23 ? 332 A 1 -ATOM 5756 C C . ARG A1 1 342 ? -6.087 11.56 2.356 1.0 18.87 ? 332 A 1 -ATOM 5757 O O . ARG A1 1 342 ? -6.624 10.763 3.128 1.0 19.51 ? 332 A 1 -ATOM 5758 C CB . ARG A1 1 342 ? -4.869 11.271 0.104 1.0 17.03 ? 332 A 1 -ATOM 5759 C CG . ARG A1 1 342 ? -3.544 10.963 -0.586 1.0 17.71 ? 332 A 1 -ATOM 5760 C CD . ARG A1 1 342 ? -2.668 12.154 -0.711 1.0 16.95 ? 332 A 1 -ATOM 5761 N NE . ARG A1 1 342 ? -2.902 12.984 -1.895 1.0 16.64 ? 332 A 1 -ATOM 5762 C CZ . ARG A1 1 342 ? -2.532 12.64 -3.12 1.0 17.28 ? 332 A 1 -ATOM 5763 N NH1 . ARG A1 1 342 ? -1.889 11.534 -3.32 1.0 17.22 ? 332 A 1 -ATOM 5764 N NH2 . ARG A1 1 342 ? -2.798 13.506 -4.118 1.0 17.44 ? 332 A 1 -ATOM 5765 H H . ARG A1 1 342 ? -4.856 9.262 1.546 1.0 21.68 ? 332 A 1 -ATOM 5766 H HA . ARG A1 1 342 ? -4.149 11.874 1.927 1.0 20.67 ? 332 A 1 -ATOM 5767 H HB2 . ARG A1 1 342 ? -5.522 10.622 -0.203 1.0 20.43 ? 332 A 1 -ATOM 5768 H HB3 . ARG A1 1 342 ? -5.14 12.164 -0.159 1.0 20.43 ? 332 A 1 -ATOM 5769 H HG2 . ARG A1 1 342 ? -3.068 10.293 -0.071 1.0 21.25 ? 332 A 1 -ATOM 5770 H HG3 . ARG A1 1 342 ? -3.723 10.628 -1.479 1.0 21.25 ? 332 A 1 -ATOM 5771 H HD2 . ARG A1 1 342 ? -2.804 12.716 0.068 1.0 20.34 ? 332 A 1 -ATOM 5772 H HD3 . ARG A1 1 342 ? -1.747 11.853 -0.747 1.0 20.34 ? 332 A 1 -ATOM 5773 H HE . ARG A1 1 342 ? -3.302 13.738 -1.788 1.0 19.97 ? 332 A 1 -ATOM 5774 H HH11 . ARG A1 1 342 ? -1.7 11.02 -2.656 1.0 20.67 ? 332 A 1 -ATOM 5775 H HH12 . ARG A1 1 342 ? -1.65 11.312 -4.116 1.0 20.67 ? 332 A 1 -ATOM 5776 H HH21 . ARG A1 1 342 ? -3.193 14.25 -3.947 1.0 20.93 ? 332 A 1 -ATOM 5777 H HH22 . ARG A1 1 342 ? -2.572 13.314 -4.925 1.0 20.93 ? 332 A 1 -ATOM 5778 N N . LYS A1 1 343 ? -6.618 12.73 2.101 1.0 18.8 ? 333 A 1 -ATOM 5779 C CA . LYS A1 1 343 ? -7.861 13.173 2.701 1.0 23.52 ? 333 A 1 -ATOM 5780 C C . LYS A1 1 343 ? -8.813 13.649 1.629 1.0 22.82 ? 333 A 1 -ATOM 5781 O O . LYS A1 1 343 ? -8.36 14.161 0.663 1.0 19.37 ? 333 A 1 -ATOM 5782 C CB . LYS A1 1 343 ? -7.581 14.386 3.606 1.0 26.21 ? 333 A 1 -ATOM 5783 C CG . LYS A1 1 343 ? -6.142 14.74 3.737 1.0 64.7 ? 333 A 1 -ATOM 5784 H H . LYS A1 1 343 ? -6.27 13.307 1.567 1.0 22.56 ? 333 A 1 -ATOM 5785 H HA . LYS A1 1 343 ? -8.266 12.444 3.196 1.0 28.23 ? 333 A 1 -ATOM 5786 H HB2 . LYS A1 1 343 ? -8.04 15.158 3.239 1.0 31.45 ? 333 A 1 -ATOM 5787 H HB3 . LYS A1 1 343 ? -7.917 14.193 4.495 1.0 31.45 ? 333 A 1 -ATOM 5788 N N . PRO A1 1 344 ? -10.135 13.519 1.759 1.0 28.23 ? 334 A 1 -ATOM 5789 C CA . PRO A1 1 344 ? -11.027 14.184 0.805 1.0 24.36 ? 334 A 1 -ATOM 5790 C C . PRO A1 1 344 ? -11.001 15.696 1.042 1.0 26.79 ? 334 A 1 -ATOM 5791 O O . PRO A1 1 344 ? -10.615 16.187 2.095 1.0 24.35 ? 334 A 1 -ATOM 5792 C CB B PRO A1 1 344 ? -12.4 13.599 1.168 1.0 42.97 ? 334 A 1 -ATOM 5793 C CG . PRO A1 1 344 ? -12.278 13.385 2.68 1.0 35.51 ? 334 A 1 -ATOM 5794 C CD . PRO A1 1 344 ? -10.863 12.861 2.855 1.0 34.1 ? 334 A 1 -ATOM 5795 H HA . PRO A1 1 344 ? -10.81 13.975 -0.117 1.0 29.23 ? 334 A 1 -ATOM 5796 H HB2 B PRO A1 1 344 ? -13.106 14.229 0.954 1.0 51.57 ? 334 A 1 -ATOM 5797 H HB3 B PRO A1 1 344 ? -12.548 12.762 0.701 1.0 51.57 ? 334 A 1 -ATOM 5798 H HG2 B PRO A1 1 344 ? -12.403 14.224 3.15 1.0 42.61 ? 334 A 1 -ATOM 5799 H HG3 B PRO A1 1 344 ? -12.933 12.735 2.982 1.0 42.61 ? 334 A 1 -ATOM 5800 H HD2 . PRO A1 1 344 ? -10.501 13.119 3.717 1.0 40.92 ? 334 A 1 -ATOM 5801 H HD3 . PRO A1 1 344 ? -10.835 11.896 2.759 1.0 40.92 ? 334 A 1 -ATOM 5802 N N . GLY A1 1 345 ? -11.355 16.429 -0.002 1.0 25.83 ? 335 A 1 -ATOM 5803 C CA . GLY A1 1 345 ? -11.361 17.874 0.091 1.0 22.33 ? 335 A 1 -ATOM 5804 C C . GLY A1 1 345 ? -12.356 18.368 1.123 1.0 23.94 ? 335 A 1 -ATOM 5805 O O . GLY A1 1 345 ? -13.428 17.792 1.302 1.0 30.08 ? 335 A 1 -ATOM 5806 H H . GLY A1 1 345 ? -11.593 16.116 -0.767 1.0 30.99 ? 335 A 1 -ATOM 5807 H HA2 . GLY A1 1 345 ? -10.478 18.187 0.341 1.0 26.8 ? 335 A 1 -ATOM 5808 H HA3 . GLY A1 1 345 ? -11.598 18.253 -0.77 1.0 26.8 ? 335 A 1 -ATOM 5809 N N . ARG A1 1 346 ? -11.985 19.446 1.794 1.0 22.35 ? 336 A 1 -ATOM 5810 C CA . ARG A1 1 346 ? -12.792 20.042 2.854 1.0 27.0 ? 336 A 1 -ATOM 5811 C C . ARG A1 1 346 ? -13.672 21.17 2.368 1.0 26.75 ? 336 A 1 -ATOM 5812 O O . ARG A1 1 346 ? -14.623 21.56 3.054 1.0 33.91 ? 336 A 1 -ATOM 5813 C CB . ARG A1 1 346 ? -11.872 20.603 3.949 1.0 31.48 ? 336 A 1 -ATOM 5814 C CG . ARG A1 1 346 ? -11.069 19.514 4.696 1.0 39.58 ? 336 A 1 -ATOM 5815 H H . ARG A1 1 346 ? -11.248 19.866 1.654 1.0 26.82 ? 336 A 1 -ATOM 5816 H HA . ARG A1 1 346 ? -13.359 19.352 3.232 1.0 32.41 ? 336 A 1 -ATOM 5817 H HB2 . ARG A1 1 346 ? -11.237 21.214 3.542 1.0 37.78 ? 336 A 1 -ATOM 5818 H HB3 . ARG A1 1 346 ? -12.413 21.074 4.602 1.0 37.78 ? 336 A 1 -ATOM 5819 N N . ASP A1 1 347 ? -13.339 21.757 1.233 1.0 20.8 ? 337 A 1 -ATOM 5820 C CA . ASP A1 1 347 ? -14.09 22.841 0.627 1.0 19.86 ? 337 A 1 -ATOM 5821 C C . ASP A1 1 347 ? -14.278 22.465 -0.841 1.0 18.72 ? 337 A 1 -ATOM 5822 O O . ASP A1 1 347 ? -14.22 21.294 -1.214 1.0 18.03 ? 337 A 1 -ATOM 5823 C CB . ASP A1 1 347 ? -13.302 24.131 0.89 1.0 21.04 ? 337 A 1 -ATOM 5824 C CG . ASP A1 1 347 ? -11.913 24.146 0.241 1.0 27.38 ? 337 A 1 -ATOM 5825 O OD1 . ASP A1 1 347 ? -11.564 23.243 -0.536 1.0 21.1 ? 337 A 1 -ATOM 5826 O OD2 . ASP A1 1 347 ? -11.105 25.056 0.549 1.0 28.42 ? 337 A 1 -ATOM 5827 H H . ASP A1 1 347 ? -12.649 21.535 0.771 1.0 24.96 ? 337 A 1 -ATOM 5828 H HA . ASP A1 1 347 ? -14.979 22.949 1.0 1.0 23.84 ? 337 A 1 -ATOM 5829 H HB2 . ASP A1 1 347 ? -13.803 24.882 0.535 1.0 25.25 ? 337 A 1 -ATOM 5830 H HB3 . ASP A1 1 347 ? -13.182 24.234 1.847 1.0 25.25 ? 337 A 1 -ATOM 5831 N N . TRP A1 1 348 ? -14.547 23.446 -1.699 1.0 17.5 ? 338 A 1 -ATOM 5832 C CA . TRP A1 1 348 ? -14.799 23.144 -3.108 1.0 16.26 ? 338 A 1 -ATOM 5833 C C . TRP A1 1 348 ? -13.532 22.82 -3.88 1.0 16.8 ? 338 A 1 -ATOM 5834 O O . TRP A1 1 348 ? -13.627 22.4 -5.046 1.0 15.66 ? 338 A 1 -ATOM 5835 C CB . TRP A1 1 348 ? -15.488 24.324 -3.826 1.0 18.19 ? 338 A 1 -ATOM 5836 C CG . TRP A1 1 348 ? -16.865 24.647 -3.332 1.0 18.02 ? 338 A 1 -ATOM 5837 C CD1 . TRP A1 1 348 ? -17.564 23.979 -2.41 1.0 20.13 ? 338 A 1 -ATOM 5838 C CD2 . TRP A1 1 348 ? -17.706 25.719 -3.789 1.0 17.71 ? 338 A 1 -ATOM 5839 N NE1 . TRP A1 1 348 ? -18.828 24.574 -2.258 1.0 20.22 ? 338 A 1 -ATOM 5840 C CE2 . TRP A1 1 348 ? -18.912 25.648 -3.093 1.0 19.06 ? 338 A 1 -ATOM 5841 C CE3 . TRP A1 1 348 ? -17.534 26.736 -4.723 1.0 19.69 ? 338 A 1 -ATOM 5842 C CZ2 . TRP A1 1 348 ? -19.957 26.568 -3.292 1.0 20.5 ? 338 A 1 -ATOM 5843 C CZ3 . TRP A1 1 348 ? -18.577 27.605 -4.958 1.0 22.66 ? 338 A 1 -ATOM 5844 C CH2 . TRP A1 1 348 ? -19.758 27.532 -4.235 1.0 21.76 ? 338 A 1 -ATOM 5845 H H . TRP A1 1 348 ? -14.589 24.281 -1.495 1.0 21.0 ? 338 A 1 -ATOM 5846 H HA . TRP A1 1 348 ? -15.399 22.382 -3.13 1.0 19.51 ? 338 A 1 -ATOM 5847 H HB2 . TRP A1 1 348 ? -14.943 25.118 -3.706 1.0 21.83 ? 338 A 1 -ATOM 5848 H HB3 . TRP A1 1 348 ? -15.56 24.111 -4.769 1.0 21.83 ? 338 A 1 -ATOM 5849 H HD1 . TRP A1 1 348 ? -17.26 23.236 -1.941 1.0 24.16 ? 338 A 1 -ATOM 5850 H HE1 . TRP A1 1 348 ? -19.447 24.304 -1.725 1.0 24.27 ? 338 A 1 -ATOM 5851 H HE3 . TRP A1 1 348 ? -16.729 26.827 -5.181 1.0 23.62 ? 338 A 1 -ATOM 5852 H HZ2 . TRP A1 1 348 ? -20.747 26.522 -2.803 1.0 24.59 ? 338 A 1 -ATOM 5853 H HZ3 . TRP A1 1 348 ? -18.486 28.256 -5.617 1.0 27.19 ? 338 A 1 -ATOM 5854 H HH2 . TRP A1 1 348 ? -20.429 28.154 -4.397 1.0 26.11 ? 338 A 1 -ATOM 5855 N N . GLY A1 1 349 ? -12.349 23.01 -3.324 1.0 16.33 ? 339 A 1 -ATOM 5856 C CA . GLY A1 1 349 ? -11.125 22.661 -4.016 1.0 16.3 ? 339 A 1 -ATOM 5857 C C . GLY A1 1 349 ? -10.878 23.538 -5.228 1.0 15.57 ? 339 A 1 -ATOM 5858 O O . GLY A1 1 349 ? -10.31 23.049 -6.207 1.0 16.35 ? 339 A 1 -ATOM 5859 H H . GLY A1 1 349 ? -12.227 23.342 -2.541 1.0 19.6 ? 339 A 1 -ATOM 5860 H HA2 . GLY A1 1 349 ? -10.375 22.758 -3.409 1.0 19.56 ? 339 A 1 -ATOM 5861 H HA3 . GLY A1 1 349 ? -11.175 21.738 -4.31 1.0 19.56 ? 339 A 1 -ATOM 5862 N N . GLY A1 1 350 ? -11.224 24.811 -5.19 1.0 16.17 ? 340 A 1 -ATOM 5863 C CA . GLY A1 1 350 ? -10.895 25.701 -6.288 1.0 16.6 ? 340 A 1 -ATOM 5864 C C . GLY A1 1 350 ? -9.412 25.94 -6.386 1.0 17.37 ? 340 A 1 -ATOM 5865 O O . GLY A1 1 350 ? -8.683 25.847 -5.407 1.0 18.4 ? 340 A 1 -ATOM 5866 H H . GLY A1 1 350 ? -11.649 25.186 -4.543 1.0 19.41 ? 340 A 1 -ATOM 5867 H HA2 . GLY A1 1 350 ? -11.201 25.312 -7.122 1.0 19.92 ? 340 A 1 -ATOM 5868 H HA3 . GLY A1 1 350 ? -11.337 26.554 -6.156 1.0 19.92 ? 340 A 1 -ATOM 5869 N N . ARG A1 1 351 ? -8.916 26.219 -7.59 1.0 16.61 ? 341 A 1 -ATOM 5870 C CA . ARG A1 1 351 ? -7.501 26.471 -7.749 1.0 15.79 ? 341 A 1 -ATOM 5871 C C . ARG A1 1 351 ? -7.104 27.719 -6.988 1.0 18.81 ? 341 A 1 -ATOM 5872 O O . ARG A1 1 351 ? -7.771 28.758 -7.064 1.0 19.38 ? 341 A 1 -ATOM 5873 C CB . ARG A1 1 351 ? -7.194 26.651 -9.239 1.0 17.79 ? 341 A 1 -ATOM 5874 C CG . ARG A1 1 351 ? -5.725 26.815 -9.597 1.0 17.39 ? 341 A 1 -ATOM 5875 C CD . ARG A1 1 351 ? -5.36 28.264 -9.656 1.0 19.51 ? 341 A 1 -ATOM 5876 N NE . ARG A1 1 351 ? -3.928 28.494 -9.888 1.0 21.36 ? 341 A 1 -ATOM 5877 C CZ . ARG A1 1 351 ? -3.368 28.79 -11.053 1.0 21.27 ? 341 A 1 -ATOM 5878 N NH1 . ARG A1 1 351 ? -4.1 28.912 -12.16 1.0 18.97 ? 341 A 1 -ATOM 5879 N NH2 . ARG A1 1 351 ? -2.065 28.998 -11.098 1.0 21.39 ? 341 A 1 -ATOM 5880 H H . ARG A1 1 351 ? -9.376 26.265 -8.315 1.0 19.93 ? 341 A 1 -ATOM 5881 H HA . ARG A1 1 351 ? -6.986 25.725 -7.404 1.0 18.95 ? 341 A 1 -ATOM 5882 H HB2 . ARG A1 1 351 ? -7.52 25.869 -9.713 1.0 21.35 ? 341 A 1 -ATOM 5883 H HB3 . ARG A1 1 351 ? -7.657 27.444 -9.551 1.0 21.35 ? 341 A 1 -ATOM 5884 H HG2 . ARG A1 1 351 ? -5.176 26.385 -8.923 1.0 20.87 ? 341 A 1 -ATOM 5885 H HG3 . ARG A1 1 351 ? -5.555 26.418 -10.465 1.0 20.87 ? 341 A 1 -ATOM 5886 H HD2 . ARG A1 1 351 ? -5.849 28.682 -10.382 1.0 23.41 ? 341 A 1 -ATOM 5887 H HD3 . ARG A1 1 351 ? -5.596 28.682 -8.814 1.0 23.41 ? 341 A 1 -ATOM 5888 H HE . ARG A1 1 351 ? -3.406 28.432 -9.207 1.0 25.63 ? 341 A 1 -ATOM 5889 H HH11 . ARG A1 1 351 ? -4.952 28.798 -12.127 1.0 22.76 ? 341 A 1 -ATOM 5890 H HH12 . ARG A1 1 351 ? -3.72 29.105 -12.907 1.0 22.76 ? 341 A 1 -ATOM 5891 H HH21 . ARG A1 1 351 ? -1.595 28.94 -10.38 1.0 25.67 ? 341 A 1 -ATOM 5892 H HH22 . ARG A1 1 351 ? -1.686 29.191 -11.845 1.0 25.67 ? 341 A 1 -ATOM 5893 N N . LYS A1 1 352 ? -5.991 27.612 -6.266 1.0 18.03 ? 342 A 1 -ATOM 5894 C CA . LYS A1 1 352 ? -5.428 28.727 -5.512 1.0 19.05 ? 342 A 1 -ATOM 5895 C C . LYS A1 1 352 ? -4.082 29.117 -6.111 1.0 20.75 ? 342 A 1 -ATOM 5896 O O . LYS A1 1 352 ? -3.468 28.375 -6.882 1.0 19.79 ? 342 A 1 -ATOM 5897 C CB . LYS A1 1 352 ? -5.279 28.338 -4.033 1.0 20.36 ? 342 A 1 -ATOM 5898 C CG . LYS A1 1 352 ? -6.576 28.007 -3.371 1.0 23.77 ? 342 A 1 -ATOM 5899 C CD . LYS A1 1 352 ? -7.514 29.222 -3.359 1.0 38.16 ? 342 A 1 -ATOM 5900 C CE . LYS A1 1 352 ? -8.722 29.056 -2.425 1.0 57.78 ? 342 A 1 -ATOM 5901 N NZ . LYS A1 1 352 ? -9.727 28.09 -2.937 1.0 77.35 ? 342 A 1 -ATOM 5902 H H . LYS A1 1 352 ? -5.534 26.887 -6.197 1.0 21.63 ? 342 A 1 -ATOM 5903 H HA . LYS A1 1 352 ? -6.008 29.503 -5.559 1.0 22.86 ? 342 A 1 -ATOM 5904 H HB2 . LYS A1 1 352 ? -4.706 27.558 -3.971 1.0 24.43 ? 342 A 1 -ATOM 5905 H HB3 . LYS A1 1 352 ? -4.881 29.081 -3.553 1.0 24.43 ? 342 A 1 -ATOM 5906 H HG2 . LYS A1 1 352 ? -7.011 27.288 -3.855 1.0 28.53 ? 342 A 1 -ATOM 5907 H HG3 . LYS A1 1 352 ? -6.411 27.738 -2.454 1.0 28.53 ? 342 A 1 -ATOM 5908 H HD2 . LYS A1 1 352 ? -7.016 30.0 -3.063 1.0 45.79 ? 342 A 1 -ATOM 5909 H HD3 . LYS A1 1 352 ? -7.851 29.366 -4.257 1.0 45.79 ? 342 A 1 -ATOM 5910 H HE2 . LYS A1 1 352 ? -8.413 28.736 -1.564 1.0 69.34 ? 342 A 1 -ATOM 5911 H HE3 . LYS A1 1 352 ? -9.161 29.915 -2.322 1.0 69.34 ? 342 A 1 -ATOM 5912 H HZ1 . LYS A1 1 352 ? -9.355 27.287 -3.034 1.0 92.82 ? 342 A 1 -ATOM 5913 H HZ2 . LYS A1 1 352 ? -10.407 28.027 -2.367 1.0 92.82 ? 342 A 1 -ATOM 5914 H HZ3 . LYS A1 1 352 ? -10.036 28.362 -3.727 1.0 92.82 ? 342 A 1 -ATOM 5915 N N . ARG A1 1 353 ? -3.6 30.298 -5.738 1.0 23.02 ? 343 A 1 -ATOM 5916 C CA . ARG A1 1 353 ? -2.322 30.8 -6.211 1.0 26.32 ? 343 A 1 -ATOM 5917 C C . ARG A1 1 353 ? -1.39 30.885 -5.019 1.0 25.14 ? 343 A 1 -ATOM 5918 O O . ARG A1 1 353 ? -1.378 31.886 -4.297 1.0 30.35 ? 343 A 1 -ATOM 5919 C CB . ARG A1 1 353 ? -2.527 32.122 -6.889 1.0 26.82 ? 343 A 1 -ATOM 5920 C CG . ARG A1 1 353 ? -3.344 31.953 -8.156 1.0 27.3 ? 343 A 1 -ATOM 5921 C CD . ARG A1 1 353 ? -3.506 33.258 -8.883 1.0 32.49 ? 343 A 1 -ATOM 5922 N NE . ARG A1 1 353 ? -4.397 33.042 -10.009 1.0 35.42 ? 343 A 1 -ATOM 5923 C CZ . ARG A1 1 353 ? -3.98 32.604 -11.185 1.0 32.18 ? 343 A 1 -ATOM 5924 N NH1 . ARG A1 1 353 ? -2.689 32.361 -11.378 1.0 32.28 ? 343 A 1 -ATOM 5925 N NH2 . ARG A1 1 353 ? -4.855 32.419 -12.152 1.0 31.11 ? 343 A 1 -ATOM 5926 H H . ARG A1 1 353 ? -4.006 30.833 -5.201 1.0 27.62 ? 343 A 1 -ATOM 5927 H HA . ARG A1 1 353 ? -1.921 30.184 -6.844 1.0 31.58 ? 343 A 1 -ATOM 5928 H HB2 . ARG A1 1 353 ? -3.002 32.722 -6.292 1.0 32.19 ? 343 A 1 -ATOM 5929 H HB3 . ARG A1 1 353 ? -1.666 32.502 -7.124 1.0 32.19 ? 343 A 1 -ATOM 5930 H HG2 . ARG A1 1 353 ? -2.895 31.328 -8.746 1.0 32.76 ? 343 A 1 -ATOM 5931 H HG3 . ARG A1 1 353 ? -4.225 31.62 -7.927 1.0 32.76 ? 343 A 1 -ATOM 5932 H HD2 . ARG A1 1 353 ? -3.893 33.923 -8.293 1.0 38.99 ? 343 A 1 -ATOM 5933 H HD3 . ARG A1 1 353 ? -2.646 33.566 -9.211 1.0 38.99 ? 343 A 1 -ATOM 5934 H HE . ARG A1 1 353 ? -5.235 33.205 -9.906 1.0 42.5 ? 343 A 1 -ATOM 5935 H HH11 . ARG A1 1 353 ? -2.128 32.488 -10.739 1.0 38.74 ? 343 A 1 -ATOM 5936 H HH12 . ARG A1 1 353 ? -2.415 32.077 -12.142 1.0 38.74 ? 343 A 1 -ATOM 5937 H HH21 . ARG A1 1 353 ? -5.689 32.581 -12.015 1.0 37.33 ? 343 A 1 -ATOM 5938 H HH22 . ARG A1 1 353 ? -4.593 32.135 -12.92 1.0 37.33 ? 343 A 1 -ATOM 5939 N N . VAL A1 1 354 ? -0.654 29.81 -4.768 1.0 25.61 ? 344 A 1 -ATOM 5940 C CA . VAL A1 1 354 ? 0.275 29.726 -3.65 1.0 23.4 ? 344 A 1 -ATOM 5941 C C . VAL A1 1 354 ? 1.711 29.529 -4.085 1.0 24.89 ? 344 A 1 -ATOM 5942 O O . VAL A1 1 354 ? 2.629 29.652 -3.223 1.0 28.28 ? 344 A 1 -ATOM 5943 C CB . VAL A1 1 354 ? -0.108 28.655 -2.609 1.0 30.78 ? 344 A 1 -ATOM 5944 C CG1 . VAL A1 1 354 ? -1.375 29.054 -1.881 1.0 29.3 ? 344 A 1 -ATOM 5945 C CG2 . VAL A1 1 354 ? -0.254 27.279 -3.262 1.0 26.59 ? 344 A 1 -ATOM 5946 H H . VAL A1 1 354 ? -0.676 29.094 -5.245 1.0 30.73 ? 344 A 1 -ATOM 5947 H HA . VAL A1 1 354 ? 0.222 30.577 -3.187 1.0 28.08 ? 344 A 1 -ATOM 5948 H HB . VAL A1 1 354 ? 0.605 28.588 -1.955 1.0 36.94 ? 344 A 1 -ATOM 5949 H HG11 . VAL A1 1 354 ? -1.596 28.368 -1.232 1.0 35.16 ? 344 A 1 -ATOM 5950 H HG12 . VAL A1 1 354 ? -1.227 29.9 -1.43 1.0 35.16 ? 344 A 1 -ATOM 5951 H HG13 . VAL A1 1 354 ? -2.095 29.144 -2.525 1.0 35.16 ? 344 A 1 -ATOM 5952 H HG21 . VAL A1 1 354 ? -0.497 26.631 -2.582 1.0 31.91 ? 344 A 1 -ATOM 5953 H HG22 . VAL A1 1 354 ? -0.948 27.323 -3.939 1.0 31.91 ? 344 A 1 -ATOM 5954 H HG23 . VAL A1 1 354 ? 0.59 27.031 -3.669 1.0 31.91 ? 344 A 1 -ATOM 5955 N N . PHE A1 1 355 ? 1.948 29.279 -5.377 1.0 24.53 ? 345 A 1 -ATOM 5956 C CA . PHE A1 1 355 ? 3.293 29.144 -5.916 1.0 26.25 ? 345 A 1 -ATOM 5957 C C . PHE A1 1 355 ? 3.764 30.49 -6.468 1.0 41.98 ? 345 A 1 -ATOM 5958 O O . PHE A1 1 355 ? 3.087 31.103 -7.307 1.0 34.57 ? 345 A 1 -ATOM 5959 C CB . PHE A1 1 355 ? 3.341 28.113 -7.037 1.0 24.84 ? 345 A 1 -ATOM 5960 C CG . PHE A1 1 355 ? 4.725 27.856 -7.53 1.0 27.27 ? 345 A 1 -ATOM 5961 C CD1 . PHE A1 1 355 ? 5.574 27.017 -6.837 1.0 24.6 ? 345 A 1 -ATOM 5962 C CD2 . PHE A1 1 355 ? 5.183 28.44 -8.693 1.0 31.65 ? 345 A 1 -ATOM 5963 C CE1 . PHE A1 1 355 ? 6.874 26.821 -7.251 1.0 31.19 ? 345 A 1 -ATOM 5964 C CE2 . PHE A1 1 355 ? 6.479 28.23 -9.106 1.0 31.65 ? 345 A 1 -ATOM 5965 C CZ . PHE A1 1 355 ? 7.318 27.419 -8.403 1.0 28.6 ? 345 A 1 -ATOM 5966 H H . PHE A1 1 355 ? 1.331 29.181 -5.968 1.0 29.43 ? 345 A 1 -ATOM 5967 H HA . PHE A1 1 355 ? 3.883 28.858 -5.202 1.0 31.5 ? 345 A 1 -ATOM 5968 H HB2 . PHE A1 1 355 ? 2.979 27.275 -6.71 1.0 29.8 ? 345 A 1 -ATOM 5969 H HB3 . PHE A1 1 355 ? 2.812 28.434 -7.784 1.0 29.8 ? 345 A 1 -ATOM 5970 H HD1 . PHE A1 1 355 ? 5.265 26.577 -6.079 1.0 29.52 ? 345 A 1 -ATOM 5971 H HD2 . PHE A1 1 355 ? 4.615 28.976 -9.199 1.0 37.98 ? 345 A 1 -ATOM 5972 H HE1 . PHE A1 1 355 ? 7.447 26.286 -6.751 1.0 37.43 ? 345 A 1 -ATOM 5973 H HE2 . PHE A1 1 355 ? 6.787 28.648 -9.877 1.0 37.98 ? 345 A 1 -ATOM 5974 H HZ . PHE A1 1 355 ? 8.187 27.273 -8.701 1.0 34.33 ? 345 A 1 -ATOM 5975 N N . THR A1 1 356 ? 4.951 30.904 -6.041 1.0 36.21 ? 346 A 1 -ATOM 5976 C CA . THR A1 1 356 ? 5.494 32.241 -6.349 1.0 95.29 ? 346 A 1 -ATOM 5977 C C . THR A1 1 356 ? 4.423 33.337 -6.326 1.0 77.1 ? 346 A 1 -ATOM 5978 O O . THR A1 1 356 ? 3.764 33.562 -5.308 1.0 69.13 ? 346 A 1 -ATOM 5979 C CB . THR A1 1 356 ? 6.216 32.271 -7.723 1.0 45.92 ? 346 A 1 -ATOM 5980 H H . THR A1 1 356 ? 5.48 30.426 -5.56 1.0 43.45 ? 346 A 1 -ATOM 5981 H HA . THR A1 1 356 ? 6.139 32.46 -5.658 1.0 114.34 ? 346 A 1 -HETATM 5982 N N . CYS B2 2 357 ? -13.62 11.653 -17.753 1.0 15.5 ? 401 A 1 -HETATM 5983 C CA . CYS B2 2 357 ? -13.258 11.104 -19.086 1.0 14.53 ? 401 A 1 -HETATM 5984 C C . CYS B2 2 357 ? -11.777 10.907 -18.976 1.0 19.5 ? 401 A 1 -HETATM 5985 O O . CYS B2 2 357 ? -11.206 9.988 -19.577 1.0 21.3 ? 401 A 1 -HETATM 5986 C CB . CYS B2 2 357 ? -13.549 12.161 -20.146 1.0 15.72 ? 401 A 1 -HETATM 5987 S SG . CYS B2 2 357 ? -12.837 13.793 -19.661 1.0 14.51 ? 401 A 1 -HETATM 5988 O OXT . CYS B2 2 357 ? -11.137 11.77 -18.293 1.0 18.79 ? 401 A 1 -HETATM 5989 H HA . CYS B2 2 357 ? -13.734 10.298 -19.339 1.0 17.44 ? 401 A 1 -HETATM 5990 H HB2 . CYS B2 2 357 ? -13.154 11.89 -20.989 1.0 18.87 ? 401 A 1 -HETATM 5991 H HB3 . CYS B2 2 357 ? -14.509 12.261 -20.246 1.0 18.87 ? 401 A 1 -HETATM 5992 FE FE . FE2 C3 3 358 ? -12.387 13.254 -17.469 1.0 14.79 ? 402 A 1 -HETATM 5993 C C C CMO D4 4 359 ? -13.654 14.394 -16.878 0.93 15.47 ? 403 A 1 -HETATM 5994 O O C CMO D4 4 359 ? -14.462 15.123 -16.5 0.93 17.1 ? 403 A 1 -HETATM 5995 C C C CMO E4 5 360 ? -11.117 14.498 -17.376 0.96 14.1 ? 404 A 1 -HETATM 5996 O O C CMO E4 5 360 ? -10.282 15.318 -17.308 0.96 15.65 ? 404 A 1 -HETATM 5997 C C . CYN F5 6 361 ? -11.936 12.582 -15.952 1.0 16.12 ? 405 A 1 -HETATM 5998 N N . CYN F5 6 361 ? -11.615 12.105 -14.879 1.0 14.92 ? 405 A 1 -HETATM 5999 C C . PYR G6 7 362 ? -6.947 7.429 -40.8 1.0 56.9 ? 406 A 1 -HETATM 6000 O O . PYR G6 7 362 ? -6.283 6.301 -40.895 1.0 57.5 ? 406 A 1 -HETATM 6001 O OXT . PYR G6 7 362 ? -8.258 7.366 -40.833 1.0 56.71 ? 406 A 1 -HETATM 6002 C CA . PYR G6 7 362 ? -6.295 8.664 -40.657 1.0 57.62 ? 406 A 1 -HETATM 6003 O O3 . PYR G6 7 362 ? -6.927 9.794 -40.892 1.0 60.52 ? 406 A 1 -HETATM 6004 C CB . PYR G6 7 362 ? -4.859 8.74 -40.223 1.0 55.28 ? 406 A 1 -HETATM 6005 H HB1 . PYR G6 7 362 ? -4.21 8.649 -41.094 1.0 66.34 ? 406 A 1 -HETATM 6006 H HB2 . PYR G6 7 362 ? -4.677 9.697 -39.734 1.0 66.34 ? 406 A 1 -HETATM 6007 H HB3 . PYR G6 7 362 ? -4.647 7.93 -39.526 1.0 66.34 ? 406 A 1 -HETATM 6008 C C1 A GOL H7 8 363 ? -13.852 26.587 -1.22 0.82 40.6 ? 407 A 1 -HETATM 6009 O O1 A GOL H7 8 363 ? -13.272 27.014 -2.397 0.82 38.97 ? 407 A 1 -HETATM 6010 C C2 A GOL H7 8 363 ? -14.767 27.657 -0.692 0.82 38.62 ? 407 A 1 -HETATM 6011 O O2 A GOL H7 8 363 ? -15.368 27.265 0.544 0.82 44.83 ? 407 A 1 -HETATM 6012 C C3 A GOL H7 8 363 ? -15.845 27.845 -1.778 0.82 42.1 ? 407 A 1 -HETATM 6013 O O3 A GOL H7 8 363 ? -16.99 28.225 -1.083 0.82 46.84 ? 407 A 1 -HETATM 6014 H H11 A GOL H7 8 363 ? -13.19 26.384 -0.541 0.82 48.72 ? 407 A 1 -HETATM 6015 H H12 A GOL H7 8 363 ? -14.366 25.774 -1.342 0.82 48.72 ? 407 A 1 -HETATM 6016 H H2 A GOL H7 8 363 ? -14.269 28.474 -0.533 0.82 46.35 ? 407 A 1 -HETATM 6017 H HO2 A GOL H7 8 363 ? -16.146 27.605 0.57 0.82 53.8 ? 407 A 1 -HETATM 6018 H H31 A GOL H7 8 363 ? -15.946 27.021 -2.28 0.82 50.52 ? 407 A 1 -HETATM 6019 H H32 A GOL H7 8 363 ? -15.542 28.503 -2.423 0.82 50.52 ? 407 A 1 -HETATM 6020 N N . SAH I8 9 364 ? -17.865 17.003 -26.042 1.0 15.52 ? 408 A 1 -HETATM 6021 C CA . SAH I8 9 364 ? -17.075 17.569 -24.928 1.0 13.98 ? 408 A 1 -HETATM 6022 C CB . SAH I8 9 364 ? -17.07 16.718 -23.687 1.0 16.79 ? 408 A 1 -HETATM 6023 C CG . SAH I8 9 364 ? -17.189 15.242 -23.847 1.0 18.34 ? 408 A 1 -HETATM 6024 S SD . SAH I8 9 364 ? -15.779 14.412 -24.57 1.0 19.12 ? 408 A 1 -HETATM 6025 C C . SAH I8 9 364 ? -15.673 17.89 -25.432 1.0 15.58 ? 408 A 1 -HETATM 6026 O O . SAH I8 9 364 ? -14.983 18.683 -24.861 1.0 15.41 ? 408 A 1 -HETATM 6027 O OXT . SAH I8 9 364 ? -15.354 17.308 -26.538 1.0 16.89 ? 408 A 1 -HETATM 6028 C "C5'" . SAH I8 9 364 ? -14.672 14.417 -23.123 1.0 19.7 ? 408 A 1 -HETATM 6029 C "C4'" . SAH I8 9 364 ? -13.223 14.058 -23.438 1.0 16.19 ? 408 A 1 -HETATM 6030 O "O4'" . SAH I8 9 364 ? -13.1 12.691 -23.698 1.0 17.08 ? 408 A 1 -HETATM 6031 C "C3'" . SAH I8 9 364 ? -12.552 14.719 -24.616 1.0 14.58 ? 408 A 1 -HETATM 6032 O "O3'" . SAH I8 9 364 ? -12.114 16.019 -24.243 1.0 16.83 ? 408 A 1 -HETATM 6033 C "C2'" . SAH I8 9 364 ? -11.375 13.766 -24.892 1.0 14.5 ? 408 A 1 -HETATM 6034 O "O2'" . SAH I8 9 364 ? -10.169 14.207 -24.323 1.0 16.84 ? 408 A 1 -HETATM 6035 C "C1'" . SAH I8 9 364 ? -11.815 12.456 -24.215 1.0 14.78 ? 408 A 1 -HETATM 6036 N N9 . SAH I8 9 364 ? -11.906 11.313 -25.151 1.0 13.49 ? 408 A 1 -HETATM 6037 C C8 . SAH I8 9 364 ? -12.756 11.213 -26.252 1.0 15.31 ? 408 A 1 -HETATM 6038 N N7 . SAH I8 9 364 ? -12.456 10.119 -26.909 1.0 14.76 ? 408 A 1 -HETATM 6039 C C5 . SAH I8 9 364 ? -11.389 9.515 -26.298 1.0 14.68 ? 408 A 1 -HETATM 6040 C C6 . SAH I8 9 364 ? -10.636 8.377 -26.563 1.0 14.06 ? 408 A 1 -HETATM 6041 N N6 . SAH I8 9 364 ? -10.879 7.568 -27.608 1.0 14.29 ? 408 A 1 -HETATM 6042 N N1 . SAH I8 9 364 ? -9.616 8.087 -25.732 1.0 14.25 ? 408 A 1 -HETATM 6043 C C2 . SAH I8 9 364 ? -9.355 8.843 -24.658 1.0 14.58 ? 408 A 1 -HETATM 6044 N N3 . SAH I8 9 364 ? -10.058 9.951 -24.351 1.0 14.39 ? 408 A 1 -HETATM 6045 C C4 . SAH I8 9 364 ? -11.056 10.289 -25.186 1.0 13.52 ? 408 A 1 -HETATM 6046 H H2 . SAH I8 9 364 ? -8.536 8.548 -24.001 1.0 17.5 ? 408 A 1 -HETATM 6047 H HN1 . SAH I8 9 364 ? -18.702 16.964 -25.862 1.0 18.63 ? 408 A 1 -HETATM 6048 H HN2 . SAH I8 9 364 ? -17.937 17.52 -26.725 1.0 18.63 ? 408 A 1 -HETATM 6049 H HA . SAH I8 9 364 ? -17.499 18.396 -24.617 1.0 16.78 ? 408 A 1 -HETATM 6050 H HB1 . SAH I8 9 364 ? -17.894 17.054 -23.058 1.0 20.14 ? 408 A 1 -HETATM 6051 H HB2 . SAH I8 9 364 ? -16.139 16.922 -23.156 1.0 20.14 ? 408 A 1 -HETATM 6052 H HG1 . SAH I8 9 364 ? -18.06 15.038 -24.47 1.0 22.01 ? 408 A 1 -HETATM 6053 H HG2 . SAH I8 9 364 ? -17.371 14.808 -22.864 1.0 22.01 ? 408 A 1 -HETATM 6054 H "H5'1" . SAH I8 9 364 ? -15.055 13.708 -22.39 1.0 23.64 ? 408 A 1 -HETATM 6055 H "H5'2" . SAH I8 9 364 ? -14.694 15.41 -22.673 1.0 23.64 ? 408 A 1 -HETATM 6056 H "H4'" . SAH I8 9 364 ? -12.727 14.413 -22.535 1.0 19.42 ? 408 A 1 -HETATM 6057 H "H3'" . SAH I8 9 364 ? -13.187 14.869 -25.489 1.0 17.5 ? 408 A 1 -HETATM 6058 H "HO3'" . SAH I8 9 364 ? -11.135 16.058 -24.286 1.0 20.2 ? 408 A 1 -HETATM 6059 H "H2'" . SAH I8 9 364 ? -11.171 13.682 -25.96 1.0 17.4 ? 408 A 1 -HETATM 6060 H "HO2'" . SAH I8 9 364 ? -9.811 13.509 -23.735 1.0 20.21 ? 408 A 1 -HETATM 6061 H "H1'" . SAH I8 9 364 ? -11.067 12.204 -23.464 1.0 17.74 ? 408 A 1 -HETATM 6062 H H8 . SAH I8 9 364 ? -13.537 11.924 -26.52 1.0 18.37 ? 408 A 1 -HETATM 6063 H HN61 . SAH I8 9 364 ? -11.64 7.777 -28.246 1.0 17.15 ? 408 A 1 -HETATM 6064 H HN62 . SAH I8 9 364 ? -10.3 6.747 -27.76 1.0 17.15 ? 408 A 1 -HETATM 6065 P P . PO4 J9 10 365 ? 8.003 28.971 -13.083 1.0 78.39 ? 409 A 1 -HETATM 6066 O O1 . PO4 J9 10 365 ? 8.416 28.801 -14.525 1.0 78.44 ? 409 A 1 -HETATM 6067 O O2 . PO4 J9 10 365 ? 6.834 28.065 -12.775 1.0 77.58 ? 409 A 1 -HETATM 6068 O O3 . PO4 J9 10 365 ? 7.594 30.403 -12.845 1.0 80.67 ? 409 A 1 -HETATM 6069 O O4 . PO4 J9 10 365 ? 9.166 28.635 -12.171 1.0 79.12 ? 409 A 1 -HETATM 6070 P P . PO4 K9 11 366 ? -15.521 5.422 -12.462 0.96 29.98 ? 410 A 1 -HETATM 6071 O O1 . PO4 K9 11 366 ? -15.041 6.241 -13.574 0.96 34.04 ? 410 A 1 -HETATM 6072 O O2 . PO4 K9 11 366 ? -14.487 4.409 -12.015 0.96 34.36 ? 410 A 1 -HETATM 6073 O O3 . PO4 K9 11 366 ? -16.639 4.543 -13.013 0.96 40.68 ? 410 A 1 -HETATM 6074 O O4 . PO4 K9 11 366 ? -16.024 6.091 -11.297 0.96 30.35 ? 410 A 1 -HETATM 6075 P P A PO4 L9 12 367 ? 4.639 4.645 -8.181 0.46 42.84 ? 411 A 1 -HETATM 6076 P P B PO4 L9 12 367 ? 6.483 6.365 -6.973 0.54 48.42 ? 411 A 1 -HETATM 6077 O O1 A PO4 L9 12 367 ? 5.005 3.882 -9.445 0.46 41.03 ? 411 A 1 -HETATM 6078 O O1 B PO4 L9 12 367 ? 6.594 4.861 -7.019 0.54 49.69 ? 411 A 1 -HETATM 6079 O O2 A PO4 L9 12 367 ? 3.153 4.486 -7.791 0.46 36.41 ? 411 A 1 -HETATM 6080 O O2 B PO4 L9 12 367 ? 5.039 6.73 -7.266 0.54 44.99 ? 411 A 1 -HETATM 6081 O O3 A PO4 L9 12 367 ? 5.458 4.2 -7.004 0.46 41.84 ? 411 A 1 -HETATM 6082 O O3 B PO4 L9 12 367 ? 6.801 6.865 -5.574 0.54 41.11 ? 411 A 1 -HETATM 6083 O O4 A PO4 L9 12 367 ? 4.939 6.108 -8.399 0.46 43.47 ? 411 A 1 -HETATM 6084 O O4 B PO4 L9 12 367 ? 7.424 6.948 -7.999 0.54 50.62 ? 411 A 1 -HETATM 6085 P P . PO4 M9 13 368 ? -16.748 -1.865 -23.51 0.66 49.03 ? 412 A 1 -HETATM 6086 O O1 . PO4 M9 13 368 ? -15.705 -1.77 -24.582 0.66 50.1 ? 412 A 1 -HETATM 6087 O O2 . PO4 M9 13 368 ? -17.149 -3.323 -23.348 0.66 51.67 ? 412 A 1 -HETATM 6088 O O3 . PO4 M9 13 368 ? -17.957 -1.021 -23.834 0.66 43.93 ? 412 A 1 -HETATM 6089 O O4 . PO4 M9 13 368 ? -16.196 -1.448 -22.192 0.66 45.55 ? 412 A 1 -HETATM 6090 P P . PO4 N9 14 369 ? 12.855 26.598 -26.938 0.64 42.51 ? 413 A 1 -HETATM 6091 O O1 . PO4 N9 14 369 ? 11.669 26.549 -27.867 0.64 41.15 ? 413 A 1 -HETATM 6092 O O2 . PO4 N9 14 369 ? 14.012 25.826 -27.549 0.64 41.85 ? 413 A 1 -HETATM 6093 O O3 . PO4 N9 14 369 ? 12.564 26.065 -25.53 0.64 40.27 ? 413 A 1 -HETATM 6094 O O4 . PO4 N9 14 369 ? 13.258 28.03 -26.75 0.64 41.72 ? 413 A 1 -HETATM 6095 CL CL . CL O10 15 370 ? -13.656 20.424 -11.485 1.0 18.89 ? 414 A 1 -HETATM 6096 FE FE1 . SF4 P11 16 371 ? -16.704 13.168 -28.652 1.0 14.51 3 415 A 1 -HETATM 6097 FE FE2 . SF4 P11 16 371 ? -18.415 15.035 -29.544 1.0 14.51 3 415 A 1 -HETATM 6098 FE FE3 . SF4 P11 16 371 ? -15.796 15.239 -30.166 1.0 14.69 3 415 A 1 -HETATM 6099 FE FE4 . SF4 P11 16 371 ? -16.618 15.773 -27.438 1.0 16.4 3 415 A 1 -HETATM 6100 S S1 . SF4 P11 16 371 ? -17.092 16.926 -29.468 1.0 15.42 ? 415 A 1 -HETATM 6101 S S2 . SF4 P11 16 371 ? -14.845 14.451 -28.213 1.0 14.86 ? 415 A 1 -HETATM 6102 S S3 . SF4 P11 16 371 ? -18.333 14.121 -27.454 1.0 14.72 ? 415 A 1 -HETATM 6103 S S4 . SF4 P11 16 371 ? -17.281 13.593 -30.861 1.0 14.95 ? 415 A 1 -HETATM 6104 O O . HOH Q12 17 372 ? -19.612 -2.124 -23.261 1.0 49.98 ? 501 A 1 -HETATM 6105 O O . HOH Q12 17 373 ? -19.483 2.481 -28.077 1.0 42.55 ? 502 A 1 -HETATM 6106 O O . HOH Q12 17 374 ? -3.58 12.739 4.824 1.0 33.48 ? 503 A 1 -HETATM 6107 O O . HOH Q12 17 375 ? 9.623 16.996 -34.751 1.0 58.83 ? 504 A 1 -HETATM 6108 O O . HOH Q12 17 376 ? -0.212 11.671 3.131 1.0 43.13 ? 505 A 1 -HETATM 6109 O O . HOH Q12 17 377 ? -17.845 2.97 -14.13 1.0 50.92 ? 506 A 1 -HETATM 6110 O O . HOH Q12 17 378 ? -9.806 24.224 -10.622 1.0 21.54 ? 507 A 1 -HETATM 6111 O O . HOH Q12 17 379 ? -3.109 18.95 3.117 1.0 34.26 ? 508 A 1 -HETATM 6112 O O . HOH Q12 17 380 ? 28.212 14.334 -26.678 1.0 43.38 ? 509 A 1 -HETATM 6113 O O . HOH Q12 17 381 ? 15.689 14.1 -26.332 1.0 34.64 ? 510 A 1 -HETATM 6114 O O . HOH Q12 17 382 ? -16.465 -1.949 -19.827 1.0 53.36 ? 511 A 1 -HETATM 6115 O O . HOH Q12 17 383 ? -23.392 12.083 -32.002 0.4 13.83 ? 512 A 1 -HETATM 6116 O O . HOH Q12 17 384 ? 10.315 15.426 -0.555 1.0 40.07 ? 513 A 1 -HETATM 6117 O O . HOH Q12 17 385 ? 31.507 8.327 -31.33 1.0 60.62 ? 514 A 1 -HETATM 6118 O O . HOH Q12 17 386 ? 10.588 19.241 -28.95 1.0 50.03 ? 515 A 1 -HETATM 6119 O O . HOH Q12 17 387 ? -14.021 2.041 -11.512 1.0 43.52 ? 516 A 1 -HETATM 6120 O O . HOH Q12 17 388 ? 6.188 2.144 -5.839 1.0 56.79 ? 517 A 1 -HETATM 6121 O O . HOH Q12 17 389 ? -11.118 16.128 4.522 1.0 58.42 ? 518 A 1 -HETATM 6122 O O . HOH Q12 17 390 ? -38.708 14.79 -9.112 1.0 50.04 ? 519 A 1 -HETATM 6123 O O . HOH Q12 17 391 ? -31.457 32.688 -23.397 1.0 52.45 ? 520 A 1 -HETATM 6124 O O . HOH Q12 17 392 ? -20.175 6.486 -18.436 1.0 31.42 ? 521 A 1 -HETATM 6125 O O . HOH Q12 17 393 ? -14.726 8.734 -13.977 1.0 22.71 ? 522 A 1 -HETATM 6126 O O . HOH Q12 17 394 ? 31.785 16.068 -31.64 1.0 31.0 ? 523 A 1 -HETATM 6127 O O . HOH Q12 17 395 ? 25.322 3.519 -18.036 1.0 52.13 ? 524 A 1 -HETATM 6128 O O . HOH Q12 17 396 ? 0.189 33.909 -24.603 1.0 58.6 ? 525 A 1 -HETATM 6129 O O . HOH Q12 17 397 ? -13.917 30.075 -8.921 1.0 50.11 ? 526 A 1 -HETATM 6130 O O . HOH Q12 17 398 ? -19.447 20.271 -38.644 1.0 48.16 ? 527 A 1 -HETATM 6131 O O . HOH Q12 17 399 ? -10.654 32.843 -15.288 1.0 42.06 ? 528 A 1 -HETATM 6132 O O . HOH Q12 17 400 ? 31.954 12.64 -36.06 1.0 52.7 ? 529 A 1 -HETATM 6133 O O . HOH Q12 17 401 ? -1.366 29.858 -27.073 1.0 47.88 ? 530 A 1 -HETATM 6134 O O . HOH Q12 17 402 ? 5.458 9.082 -5.49 1.0 41.01 ? 531 A 1 -HETATM 6135 O O . HOH Q12 17 403 ? -20.468 1.896 -30.399 1.0 26.77 ? 532 A 1 -HETATM 6136 O O . HOH Q12 17 404 ? -0.226 9.577 1.206 1.0 37.49 ? 533 A 1 -HETATM 6137 O O . HOH Q12 17 405 ? -36.118 19.555 -21.132 1.0 39.3 ? 534 A 1 -HETATM 6138 O O . HOH Q12 17 406 ? -19.441 11.13 -42.836 1.0 38.58 ? 535 A 1 -HETATM 6139 O O . HOH Q12 17 407 ? 6.778 3.634 -21.949 1.0 35.27 ? 536 A 1 -HETATM 6140 O O . HOH Q12 17 408 ? -0.34 15.133 -24.996 1.0 20.48 ? 537 A 1 -HETATM 6141 O O . HOH Q12 17 409 ? 2.721 20.302 -31.818 1.0 18.51 ? 538 A 1 -HETATM 6142 O O . HOH Q12 17 410 ? -8.531 29.134 -20.631 1.0 43.03 ? 539 A 1 -HETATM 6143 O O . HOH Q12 17 411 ? -25.693 6.323 -32.73 1.0 23.27 ? 540 A 1 -HETATM 6144 O O . HOH Q12 17 412 ? -25.982 0.363 -15.925 1.0 29.45 ? 541 A 1 -HETATM 6145 O O . HOH Q12 17 413 ? -11.256 26.782 2.544 1.0 53.51 ? 542 A 1 -HETATM 6146 O O . HOH Q12 17 414 ? -21.51 12.913 -40.833 1.0 37.73 ? 543 A 1 -HETATM 6147 O O . HOH Q12 17 415 ? 11.126 28.822 -14.667 1.0 48.6 ? 544 A 1 -HETATM 6148 O O . HOH Q12 17 416 ? -17.772 -2.993 -33.537 1.0 62.34 ? 545 A 1 -HETATM 6149 O O . HOH Q12 17 417 ? 2.113 3.162 -5.742 1.0 51.65 ? 546 A 1 -HETATM 6150 O O . HOH Q12 17 418 ? 0.693 12.372 0.245 1.0 35.31 ? 547 A 1 -HETATM 6151 O O . HOH Q12 17 419 ? -18.51 1.467 -3.267 1.0 30.52 ? 548 A 1 -HETATM 6152 O O . HOH Q12 17 420 ? -17.018 8.559 -40.349 1.0 28.83 ? 549 A 1 -HETATM 6153 O O . HOH Q12 17 421 ? -0.182 17.076 -29.242 1.0 16.38 ? 550 A 1 -HETATM 6154 O O . HOH Q12 17 422 ? 6.877 20.656 -32.458 1.0 39.93 ? 551 A 1 -HETATM 6155 O O . HOH Q12 17 423 ? 3.03 15.199 -35.539 1.0 29.99 ? 552 A 1 -HETATM 6156 O O . HOH Q12 17 424 ? -28.86 1.206 -21.715 1.0 26.9 ? 553 A 1 -HETATM 6157 O O . HOH Q12 17 425 ? -9.241 9.834 3.728 1.0 25.41 ? 554 A 1 -HETATM 6158 O O . HOH Q12 17 426 ? 13.514 18.197 -31.714 1.0 54.28 ? 555 A 1 -HETATM 6159 O O . HOH Q12 17 427 ? -22.724 -2.7 -6.157 1.0 52.79 ? 556 A 1 -HETATM 6160 O O . HOH Q12 17 428 ? -12.712 30.897 -33.308 1.0 34.61 ? 557 A 1 -HETATM 6161 O O . HOH Q12 17 429 ? -6.255 -0.469 -31.81 1.0 21.66 ? 558 A 1 -HETATM 6162 O O . HOH Q12 17 430 ? -11.128 10.607 -12.365 1.0 15.66 ? 559 A 1 -HETATM 6163 O O . HOH Q12 17 431 ? -12.335 28.638 -4.301 1.0 56.55 ? 560 A 1 -HETATM 6164 O O . HOH Q12 17 432 ? -29.615 30.734 -20.548 1.0 27.89 ? 561 A 1 -HETATM 6165 O O . HOH Q12 17 433 ? -17.301 0.829 -21.328 1.0 39.78 ? 562 A 1 -HETATM 6166 O O . HOH Q12 17 434 ? -12.795 16.926 -28.272 1.0 20.96 ? 563 A 1 -HETATM 6167 O O . HOH Q12 17 435 ? -9.845 14.156 -41.102 1.0 28.62 ? 564 A 1 -HETATM 6168 O O . HOH Q12 17 436 ? 0.752 1.438 -26.803 1.0 33.71 ? 565 A 1 -HETATM 6169 O O . HOH Q12 17 437 ? 1.141 13.216 -6.111 1.0 16.78 ? 566 A 1 -HETATM 6170 O O . HOH Q12 17 438 ? -16.987 24.327 -32.882 1.0 19.77 ? 567 A 1 -HETATM 6171 O O . HOH Q12 17 439 ? -30.31 4.488 -11.682 1.0 36.66 ? 568 A 1 -HETATM 6172 O O . HOH Q12 17 440 ? -26.742 37.552 -24.904 1.0 50.63 ? 569 A 1 -HETATM 6173 O O . HOH Q12 17 441 ? -2.417 6.043 -31.888 1.0 18.29 ? 570 A 1 -HETATM 6174 O O . HOH Q12 17 442 ? -23.553 17.835 -37.216 1.0 40.95 ? 571 A 1 -HETATM 6175 O O . HOH Q12 17 443 ? -8.686 0.039 -27.591 1.0 24.52 ? 572 A 1 -HETATM 6176 O O . HOH Q12 17 444 ? -7.797 3.391 -11.015 1.0 19.69 ? 573 A 1 -HETATM 6177 O O . HOH Q12 17 445 ? 10.253 26.996 -22.16 1.0 54.81 ? 574 A 1 -HETATM 6178 O O . HOH Q12 17 446 ? -21.472 17.411 -0.642 1.0 21.96 ? 575 A 1 -HETATM 6179 O O . HOH Q12 17 447 ? -11.962 1.768 -3.357 1.0 41.6 ? 576 A 1 -HETATM 6180 O O . HOH Q12 17 448 ? -24.868 -4.658 -14.546 1.0 44.85 ? 577 A 1 -HETATM 6181 O O . HOH Q12 17 449 ? 26.05 19.386 -14.204 1.0 51.92 ? 578 A 1 -HETATM 6182 O O . HOH Q12 17 450 ? -34.361 10.487 -20.191 1.0 21.21 ? 579 A 1 -HETATM 6183 O O . HOH Q12 17 451 ? -16.476 11.722 -18.34 1.0 17.96 ? 580 A 1 -HETATM 6184 O O . HOH Q12 17 452 ? -26.814 30.465 -9.422 1.0 26.1 ? 581 A 1 -HETATM 6185 O O . HOH Q12 17 453 ? 0.067 26.345 -11.271 1.0 20.13 ? 582 A 1 -HETATM 6186 O O . HOH Q12 17 454 ? 12.712 11.654 -28.585 1.0 40.25 ? 583 A 1 -HETATM 6187 O O . HOH Q12 17 455 ? -9.223 25.826 -1.229 1.0 41.55 ? 584 A 1 -HETATM 6188 O O . HOH Q12 17 456 ? -15.663 33.121 -27.991 1.0 48.41 ? 585 A 1 -HETATM 6189 O O . HOH Q12 17 457 ? -7.832 31.258 -11.54 1.0 43.88 ? 586 A 1 -HETATM 6190 O O . HOH Q12 17 458 ? -21.152 4.792 -9.353 1.0 36.32 ? 587 A 1 -HETATM 6191 O O . HOH Q12 17 459 ? -29.187 10.623 0.352 1.0 31.03 ? 588 A 1 -HETATM 6192 O O . HOH Q12 17 460 ? -1.003 3.755 -34.636 1.0 26.3 ? 589 A 1 -HETATM 6193 O O . HOH Q12 17 461 ? -22.139 5.673 -12.441 1.0 31.43 ? 590 A 1 -HETATM 6194 O O . HOH Q12 17 462 ? -13.384 19.307 -2.852 1.0 16.77 ? 591 A 1 -HETATM 6195 O O . HOH Q12 17 463 ? -27.292 26.14 -30.276 1.0 38.7 ? 592 A 1 -HETATM 6196 O O . HOH Q12 17 464 ? -15.977 19.745 -28.188 1.0 18.33 ? 593 A 1 -HETATM 6197 O O . HOH Q12 17 465 ? 19.736 10.036 -22.273 1.0 65.24 ? 594 A 1 -HETATM 6198 O O . HOH Q12 17 466 ? 26.343 12.134 -30.096 1.0 57.68 ? 595 A 1 -HETATM 6199 O O . HOH Q12 17 467 ? -22.053 6.331 -40.313 1.0 36.31 ? 596 A 1 -HETATM 6200 O O . HOH Q12 17 468 ? -0.839 25.488 -31.136 1.0 30.64 ? 597 A 1 -HETATM 6201 O O . HOH Q12 17 469 ? -14.636 17.588 -34.81 1.0 19.3 ? 598 A 1 -HETATM 6202 O O . HOH Q12 17 470 ? -32.304 6.511 -25.025 1.0 29.85 ? 599 A 1 -HETATM 6203 O O . HOH Q12 17 471 ? -4.58 25.139 -5.949 1.0 17.49 ? 600 A 1 -HETATM 6204 O O . HOH Q12 17 472 ? -15.146 30.748 -11.198 1.0 26.87 ? 601 A 1 -HETATM 6205 O O . HOH Q12 17 473 ? -1.538 33.659 -15.155 1.0 58.65 ? 602 A 1 -HETATM 6206 O O . HOH Q12 17 474 ? -17.973 -2.923 -18.582 1.0 69.52 ? 603 A 1 -HETATM 6207 O O . HOH Q12 17 475 ? -32.419 8.709 -14.195 1.0 46.94 ? 604 A 1 -HETATM 6208 O O . HOH Q12 17 476 ? -28.792 29.221 -8.03 1.0 24.15 ? 605 A 1 -HETATM 6209 O O . HOH Q12 17 477 ? -3.21 25.173 -3.46 1.0 23.18 ? 606 A 1 -HETATM 6210 O O . HOH Q12 17 478 ? -7.604 31.165 -15.243 1.0 54.73 ? 607 A 1 -HETATM 6211 O O . HOH Q12 17 479 ? 7.045 16.165 -34.574 1.0 35.82 ? 608 A 1 -HETATM 6212 O O . HOH Q12 17 480 ? -20.241 30.578 -9.228 1.0 37.21 ? 609 A 1 -HETATM 6213 O O . HOH Q12 17 481 ? -20.442 31.912 -11.92 1.0 25.05 ? 610 A 1 -HETATM 6214 O O . HOH Q12 17 482 ? -6.46 23.379 -36.316 1.0 17.84 ? 611 A 1 -HETATM 6215 O O . HOH Q12 17 483 ? 1.342 8.83 -30.807 1.0 23.32 ? 612 A 1 -HETATM 6216 O O . HOH Q12 17 484 ? -3.633 15.85 -2.853 1.0 17.86 ? 613 A 1 -HETATM 6217 O O . HOH Q12 17 485 ? -3.689 33.216 -21.746 1.0 44.06 ? 614 A 1 -HETATM 6218 O O . HOH Q12 17 486 ? 14.805 3.627 -24.971 1.0 53.15 ? 615 A 1 -HETATM 6219 O O . HOH Q12 17 487 ? -31.949 12.507 -2.458 1.0 31.25 ? 616 A 1 -HETATM 6220 O O . HOH Q12 17 488 ? -5.378 19.266 -3.422 1.0 17.1 ? 617 A 1 -HETATM 6221 O O . HOH Q12 17 489 ? -8.136 24.302 -3.206 1.0 24.99 ? 618 A 1 -HETATM 6222 O O . HOH Q12 17 490 ? -4.919 19.956 0.309 1.0 22.53 ? 619 A 1 -HETATM 6223 O O . HOH Q12 17 491 ? -1.748 26.645 -13.316 1.0 23.41 ? 620 A 1 -HETATM 6224 O O . HOH Q12 17 492 ? 0.903 21.902 1.34 1.0 28.97 ? 621 A 1 -HETATM 6225 O O . HOH Q12 17 493 ? 5.606 18.376 -34.061 1.0 31.05 ? 622 A 1 -HETATM 6226 O O . HOH Q12 17 494 ? -6.979 28.918 -16.427 1.0 41.11 ? 623 A 1 -HETATM 6227 O O . HOH Q12 17 495 ? -18.365 36.907 -16.324 1.0 44.64 ? 624 A 1 -HETATM 6228 O O . HOH Q12 17 496 ? -18.195 -1.15 -29.755 1.0 40.07 ? 625 A 1 -HETATM 6229 O O . HOH Q12 17 497 ? -17.176 2.107 -23.368 1.0 34.92 ? 626 A 1 -HETATM 6230 O O . HOH Q12 17 498 ? -8.252 0.935 -12.397 1.0 22.03 ? 627 A 1 -HETATM 6231 O O . HOH Q12 17 499 ? -8.503 35.168 -21.734 1.0 25.55 ? 628 A 1 -HETATM 6232 O O . HOH Q12 17 500 ? -2.242 12.676 -42.388 1.0 52.46 ? 629 A 1 -HETATM 6233 O O . HOH Q12 17 501 ? -9.902 -0.228 -22.822 1.0 22.17 ? 630 A 1 -HETATM 6234 O O . HOH Q12 17 502 ? -29.247 3.527 -8.201 1.0 31.81 ? 631 A 1 -HETATM 6235 O O . HOH Q12 17 503 ? -32.086 22.862 -6.282 1.0 27.72 ? 632 A 1 -HETATM 6236 O O . HOH Q12 17 504 ? -32.091 12.932 -5.277 1.0 29.53 ? 633 A 1 -HETATM 6237 O O . HOH Q12 17 505 ? -17.133 16.883 -40.054 1.0 22.38 ? 634 A 1 -HETATM 6238 O O . HOH Q12 17 506 ? -32.26 11.25 -11.032 1.0 26.68 ? 635 A 1 -HETATM 6239 O O . HOH Q12 17 507 ? 15.019 6.819 -8.788 1.0 35.56 ? 636 A 1 -HETATM 6240 O O . HOH Q12 17 508 ? -10.544 -0.933 -31.663 1.0 28.29 ? 637 A 1 -HETATM 6241 O O . HOH Q12 17 509 ? -7.685 1.76 -4.21 1.0 45.41 ? 638 A 1 -HETATM 6242 O O . HOH Q12 17 510 ? -13.602 3.326 -8.04 1.0 50.79 ? 639 A 1 -HETATM 6243 O O . HOH Q12 17 511 ? -4.828 15.152 -15.64 1.0 14.27 ? 640 A 1 -HETATM 6244 O O . HOH Q12 17 512 ? -28.05 33.039 -17.27 1.0 32.39 ? 641 A 1 -HETATM 6245 O O . HOH Q12 17 513 ? -8.864 22.7 -0.28 1.0 40.91 ? 642 A 1 -HETATM 6246 O O . HOH Q12 17 514 ? -5.71 9.248 5.254 1.0 38.34 ? 643 A 1 -HETATM 6247 O O . HOH Q12 17 515 ? 9.687 24.796 -3.342 1.0 53.73 ? 644 A 1 -HETATM 6248 O O . HOH Q12 17 516 ? -35.243 23.488 -18.137 1.0 44.9 ? 645 A 1 -HETATM 6249 O O . HOH Q12 17 517 ? 2.192 10.063 -2.942 1.0 24.78 ? 646 A 1 -HETATM 6250 O O . HOH Q12 17 518 ? 1.145 7.531 -34.973 1.0 37.64 ? 647 A 1 -HETATM 6251 O O . HOH Q12 17 519 ? 0.496 1.527 -21.655 1.0 36.85 ? 648 A 1 -HETATM 6252 O O . HOH Q12 17 520 ? -17.804 6.144 -36.523 1.0 20.08 ? 649 A 1 -HETATM 6253 O O . HOH Q12 17 521 ? -16.357 9.074 -16.311 1.0 30.66 ? 650 A 1 -HETATM 6254 O O . HOH Q12 17 522 ? -23.168 26.702 -4.626 1.0 21.69 ? 651 A 1 -HETATM 6255 O O . HOH Q12 17 523 ? 13.345 13.218 -7.443 1.0 35.81 ? 652 A 1 -HETATM 6256 O O . HOH Q12 17 524 ? -14.018 26.975 -7.123 1.0 26.23 ? 653 A 1 -HETATM 6257 O O . HOH Q12 17 525 ? -6.34 23.173 -5.437 1.0 21.76 ? 654 A 1 -HETATM 6258 O O . HOH Q12 17 526 ? 14.632 1.002 -16.969 1.0 28.18 ? 655 A 1 -HETATM 6259 O O . HOH Q12 17 527 ? -13.254 -2.191 -35.389 1.0 37.62 ? 656 A 1 -HETATM 6260 O O . HOH Q12 17 528 ? 1.036 19.486 -29.691 1.0 16.72 ? 657 A 1 -HETATM 6261 O O . HOH Q12 17 529 ? -20.599 1.92 -10.056 1.0 40.11 ? 658 A 1 -HETATM 6262 O O . HOH Q12 17 530 ? -9.17 1.404 -8.831 1.0 53.84 ? 659 A 1 -HETATM 6263 O O . HOH Q12 17 531 ? -10.468 29.153 -6.468 1.0 30.38 ? 660 A 1 -HETATM 6264 O O . HOH Q12 17 532 ? 4.266 6.633 0.492 1.0 61.51 ? 661 A 1 -HETATM 6265 O O . HOH Q12 17 533 ? -9.545 10.755 -21.713 1.0 26.42 ? 662 A 1 -HETATM 6266 O O . HOH Q12 17 534 ? -9.873 17.192 -41.315 1.0 27.72 ? 663 A 1 -HETATM 6267 O O . HOH Q12 17 535 ? -11.505 9.538 2.085 1.0 26.38 ? 664 A 1 -HETATM 6268 O O . HOH Q12 17 536 ? 0.74 30.266 -8.913 1.0 33.42 ? 665 A 1 -HETATM 6269 O O . HOH Q12 17 537 ? -7.011 32.906 -9.025 1.0 56.44 ? 666 A 1 -HETATM 6270 O O . HOH Q12 17 538 ? -15.99 20.424 -22.917 1.0 15.54 ? 667 A 1 -HETATM 6271 O O . HOH Q12 17 539 ? 25.734 17.226 -20.381 1.0 60.23 ? 668 A 1 -HETATM 6272 O O . HOH Q12 17 540 ? 0.911 5.162 -28.498 1.0 36.69 ? 669 A 1 -HETATM 6273 O O . HOH Q12 17 541 ? -23.484 -0.343 -26.798 1.0 58.56 ? 670 A 1 -HETATM 6274 O O . HOH Q12 17 542 ? 3.134 2.065 -20.374 1.0 21.34 ? 671 A 1 -HETATM 6275 O O . HOH Q12 17 543 ? -10.789 5.844 -31.455 1.0 16.41 ? 672 A 1 -HETATM 6276 O O . HOH Q12 17 544 ? -13.052 18.224 -22.779 1.0 15.54 ? 673 A 1 -HETATM 6277 O O . HOH Q12 17 545 ? -14.773 18.967 -5.213 1.0 15.99 ? 674 A 1 -HETATM 6278 O O . HOH Q12 17 546 ? -18.701 33.421 -29.805 1.0 36.43 ? 675 A 1 -HETATM 6279 O O . HOH Q12 17 547 ? 5.884 25.231 -28.131 1.0 47.66 ? 676 A 1 -HETATM 6280 O O . HOH Q12 17 548 ? -15.871 28.936 -7.432 1.0 29.6 ? 677 A 1 -HETATM 6281 O O . HOH Q12 17 549 ? -16.338 5.019 1.47 1.0 37.39 ? 678 A 1 -HETATM 6282 O O . HOH Q12 17 550 ? -0.612 6.078 -37.417 1.0 49.99 ? 679 A 1 -HETATM 6283 O O . HOH Q12 17 551 ? -34.747 22.701 -25.676 1.0 37.99 ? 680 A 1 -HETATM 6284 O O . HOH Q12 17 552 ? -7.814 2.49 -37.55 1.0 26.85 ? 681 A 1 -HETATM 6285 O O . HOH Q12 17 553 ? 5.368 28.02 -22.349 1.0 29.29 ? 682 A 1 -HETATM 6286 O O . HOH Q12 17 554 ? -30.178 7.866 -8.675 1.0 26.35 ? 683 A 1 -HETATM 6287 O O . HOH Q12 17 555 ? -5.06 31.275 -14.721 1.0 39.37 ? 684 A 1 -HETATM 6288 O O . HOH Q12 17 556 ? 0.775 17.058 1.601 1.0 34.29 ? 685 A 1 -HETATM 6289 O O . HOH Q12 17 557 ? -25.509 9.939 -34.44 1.0 30.14 ? 686 A 1 -HETATM 6290 O O . HOH Q12 17 558 ? -31.898 24.591 -26.855 1.0 28.58 ? 687 A 1 -HETATM 6291 O O . HOH Q12 17 559 ? 18.506 23.044 -22.294 1.0 49.45 ? 688 A 1 -HETATM 6292 O O . HOH Q12 17 560 ? -32.53 5.962 -14.513 1.0 35.63 ? 689 A 1 -HETATM 6293 O O . HOH Q12 17 561 ? -20.143 8.587 0.362 1.0 39.53 ? 690 A 1 -HETATM 6294 O O . HOH Q12 17 562 ? 25.284 6.462 -12.432 1.0 50.85 ? 691 A 1 -HETATM 6295 O O . HOH Q12 17 563 ? 1.938 1.226 -24.754 1.0 50.75 ? 692 A 1 -HETATM 6296 O O . HOH Q12 17 564 ? -1.141 32.938 -18.717 1.0 42.62 ? 693 A 1 -HETATM 6297 O O . HOH Q12 17 565 ? -19.795 -0.664 -11.393 1.0 48.2 ? 694 A 1 -HETATM 6298 O O . HOH Q12 17 566 ? 24.414 12.678 -25.466 1.0 43.99 ? 695 A 1 -HETATM 6299 O O . HOH Q12 17 567 ? -21.596 -8.099 -10.207 1.0 42.07 ? 696 A 1 -HETATM 6300 O O . HOH Q12 17 568 ? -19.904 21.542 -34.874 1.0 26.79 ? 697 A 1 -HETATM 6301 O O . HOH Q12 17 569 ? -20.143 0.344 -21.809 1.0 29.31 ? 698 A 1 -HETATM 6302 O O . HOH Q12 17 570 ? 2.966 25.149 -27.523 1.0 28.52 ? 699 A 1 -HETATM 6303 O O . HOH Q12 17 571 ? -1.013 15.665 -38.748 1.0 53.53 ? 700 A 1 -HETATM 6304 O O B HOH Q12 17 572 ? -12.068 26.462 -3.019 1.0 26.67 ? 701 A 1 -HETATM 6305 O O . HOH Q12 17 573 ? 7.672 12.617 -3.223 1.0 26.42 ? 702 A 1 -HETATM 6306 O O . HOH Q12 17 574 ? -9.627 20.239 -43.323 1.0 42.32 ? 703 A 1 -HETATM 6307 O O . HOH Q12 17 575 ? 10.638 22.14 -9.993 1.0 31.74 ? 704 A 1 -HETATM 6308 O O . HOH Q12 17 576 ? -5.343 32.149 -4.426 1.0 46.74 ? 705 A 1 -HETATM 6309 O O . HOH Q12 17 577 ? 4.302 8.834 -2.263 1.0 52.75 ? 706 A 1 -HETATM 6310 O O . HOH Q12 17 578 ? -29.736 24.583 -30.018 1.0 37.65 ? 707 A 1 -HETATM 6311 O O . HOH Q12 17 579 ? -22.072 34.809 -28.756 1.0 28.03 ? 708 A 1 -HETATM 6312 O O . HOH Q12 17 580 ? -14.858 10.348 -40.557 1.0 28.45 ? 709 A 1 -HETATM 6313 O O . HOH Q12 17 581 ? -36.551 22.234 -24.06 1.0 52.21 ? 710 A 1 -HETATM 6314 O O . HOH Q12 17 582 ? -7.352 0.018 -22.114 1.0 25.32 ? 711 A 1 -HETATM 6315 O O . HOH Q12 17 583 ? -4.642 11.652 -15.306 1.0 13.41 ? 712 A 1 -HETATM 6316 O O . HOH Q12 17 584 ? -0.36 9.713 -1.704 1.0 25.43 ? 713 A 1 -HETATM 6317 O O . HOH Q12 17 585 ? -0.269 32.452 -9.823 1.0 48.54 ? 714 A 1 -HETATM 6318 O O . HOH Q12 17 586 ? 28.466 7.388 -27.828 1.0 46.89 ? 715 A 1 -HETATM 6319 O O B HOH Q12 17 587 ? -14.398 26.31 -1.395 0.6 20.49 ? 716 A 1 -HETATM 6320 O O . HOH Q12 17 588 ? 22.433 10.661 -23.068 1.0 47.35 ? 717 A 1 -HETATM 6321 O O . HOH Q12 17 589 ? -31.178 27.866 -28.289 1.0 46.68 ? 718 A 1 -HETATM 6322 O O . HOH Q12 17 590 ? 15.642 23.879 -26.165 1.0 36.5 ? 719 A 1 -HETATM 6323 O O . HOH Q12 17 591 ? -35.829 8.124 -14.759 1.0 47.12 ? 720 A 1 -HETATM 6324 O O . HOH Q12 17 592 ? -25.519 0.822 -27.765 1.0 29.38 ? 721 A 1 -HETATM 6325 O O . HOH Q12 17 593 ? -30.003 5.827 -30.667 1.0 31.31 ? 722 A 1 -HETATM 6326 O O . HOH Q12 17 594 ? -16.55 5.782 -16.288 1.0 21.93 ? 723 A 1 -HETATM 6327 O O . HOH Q12 17 595 ? -1.954 -0.542 -29.046 1.0 27.84 ? 724 A 1 -HETATM 6328 O O . HOH Q12 17 596 ? -19.328 4.495 -11.932 1.0 56.59 ? 725 A 1 -HETATM 6329 O O . HOH Q12 17 597 ? 16.408 5.965 -22.586 1.0 30.76 ? 726 A 1 -HETATM 6330 O O . HOH Q12 17 598 ? -27.081 0.612 -11.051 1.0 27.59 ? 727 A 1 -HETATM 6331 O O . HOH Q12 17 599 ? -13.814 16.643 -2.356 1.0 22.88 ? 728 A 1 -HETATM 6332 O O . HOH Q12 17 600 ? -7.258 27.603 -37.934 1.0 30.23 ? 729 A 1 -HETATM 6333 O O . HOH Q12 17 601 ? -6.887 22.102 -1.669 1.0 43.84 ? 730 A 1 -HETATM 6334 O O . HOH Q12 17 602 ? -29.266 -1.051 -17.918 1.0 28.59 ? 731 A 1 -HETATM 6335 O O . HOH Q12 17 603 ? -19.944 21.837 -0.611 1.0 31.92 ? 732 A 1 -HETATM 6336 O O . HOH Q12 17 604 ? -12.553 18.551 -42.22 1.0 37.19 ? 733 A 1 -HETATM 6337 O O . HOH Q12 17 605 ? -21.84 3.151 -37.694 1.0 31.83 ? 734 A 1 -HETATM 6338 O O . HOH Q12 17 606 ? -33.586 26.757 -12.382 1.0 34.68 ? 735 A 1 -HETATM 6339 O O . HOH Q12 17 607 ? -6.125 26.117 -35.9 1.0 20.37 ? 736 A 1 -HETATM 6340 O O . HOH Q12 17 608 ? 24.541 5.329 -21.294 1.0 38.72 ? 737 A 1 -HETATM 6341 O O . HOH Q12 17 609 ? -11.297 39.238 -17.751 1.0 52.71 ? 738 A 1 -HETATM 6342 O O . HOH Q12 17 610 ? -17.114 28.14 -30.833 1.0 38.4 ? 739 A 1 -HETATM 6343 O O . HOH Q12 17 611 ? -12.111 32.325 -11.202 1.0 53.93 ? 740 A 1 -HETATM 6344 O O . HOH Q12 17 612 ? 7.141 1.924 -16.591 1.0 36.16 ? 741 A 1 -HETATM 6345 O O . HOH Q12 17 613 ? -4.745 19.673 -41.065 1.0 24.2 ? 742 A 1 -HETATM 6346 O O . HOH Q12 17 614 ? -20.896 30.256 -6.034 1.0 29.16 ? 743 A 1 -HETATM 6347 O O . HOH Q12 17 615 ? -23.132 3.181 -2.552 1.0 47.02 ? 744 A 1 -HETATM 6348 O O . HOH Q12 17 616 ? 1.803 6.783 -26.46 1.0 21.95 ? 745 A 1 -HETATM 6349 O O . HOH Q12 17 617 ? -16.562 30.805 -27.879 1.0 39.08 ? 746 A 1 -HETATM 6350 O O . HOH Q12 17 618 ? 9.469 3.865 -12.653 1.0 32.45 ? 747 A 1 -HETATM 6351 O O . HOH Q12 17 619 ? 3.498 27.591 -25.876 1.0 37.66 ? 748 A 1 -HETATM 6352 O O . HOH Q12 17 620 ? -32.191 26.488 -24.797 1.0 32.65 ? 749 A 1 -HETATM 6353 O O . HOH Q12 17 621 ? -8.568 33.914 -33.661 1.0 50.92 ? 750 A 1 -HETATM 6354 O O . HOH Q12 17 622 ? 3.362 9.156 -34.154 1.0 51.36 ? 751 A 1 -HETATM 6355 O O . HOH Q12 17 623 ? 8.232 10.79 -31.156 1.0 34.75 ? 752 A 1 -HETATM 6356 O O . HOH Q12 17 624 ? -16.54 14.36 -40.701 1.0 21.37 ? 753 A 1 -HETATM 6357 O O . HOH Q12 17 625 ? -14.842 1.053 -37.385 1.0 48.31 ? 754 A 1 -HETATM 6358 O O . HOH Q12 17 626 ? 2.395 11.104 3.379 1.0 35.26 ? 755 A 1 -HETATM 6359 O O . HOH Q12 17 627 ? -29.836 30.194 -28.736 1.0 50.7 ? 756 A 1 -HETATM 6360 O O . HOH Q12 17 628 ? 2.36 17.1 -37.476 1.0 38.4 ? 757 A 1 -HETATM 6361 O O . HOH Q12 17 629 ? 16.141 16.724 -26.109 1.0 31.49 ? 758 A 1 -HETATM 6362 O O . HOH Q12 17 630 ? -16.429 0.173 -7.169 1.0 55.3 ? 759 A 1 -HETATM 6363 O O . HOH Q12 17 631 ? -34.169 5.82 -16.821 1.0 56.98 ? 760 A 1 -HETATM 6364 O O . HOH Q12 17 632 ? -16.484 24.722 -35.544 1.0 40.79 ? 761 A 1 -HETATM 6365 O O . HOH Q12 17 633 ? 9.732 5.816 -20.112 1.0 42.57 ? 762 A 1 -HETATM 6366 O O . HOH Q12 17 634 ? -7.438 10.582 -22.143 1.0 24.6 ? 763 A 1 -HETATM 6367 O O . HOH Q12 17 635 ? -19.074 36.279 -13.295 1.0 42.16 ? 764 A 1 -HETATM 6368 O O . HOH Q12 17 636 ? 8.917 3.686 -15.427 1.0 30.05 ? 765 A 1 -HETATM 6369 O O . HOH Q12 17 637 ? -15.076 -2.736 -27.357 1.0 43.42 ? 766 A 1 -HETATM 6370 O O . HOH Q12 17 638 ? 9.471 13.967 -31.689 1.0 27.79 ? 767 A 1 -HETATM 6371 O O . HOH Q12 17 639 ? -18.846 26.043 -31.775 1.0 47.28 ? 768 A 1 -HETATM 6372 O O . HOH Q12 17 640 ? -23.468 34.307 -11.183 1.0 51.35 ? 769 A 1 -HETATM 6373 O O . HOH Q12 17 641 ? -15.363 34.28 -11.231 1.0 59.62 ? 770 A 1 -HETATM 6374 O O A HOH Q12 17 642 ? 8.484 25.589 -27.922 0.52 41.93 ? 771 A 1 -HETATM 6375 O O B HOH Q12 17 642 ? 8.526 20.471 -29.446 0.48 21.2 ? 771 A 1 -HETATM 6376 O O . HOH Q12 17 643 ? -11.408 34.62 -27.299 1.0 64.24 ? 772 A 1 -HETATM 6377 O O . HOH Q12 17 644 ? -0.849 9.681 5.724 1.0 56.55 ? 773 A 1 -HETATM 6378 O O . HOH Q12 17 645 ? -32.992 9.039 -23.74 1.0 22.71 ? 774 A 1 -HETATM 6379 O O . HOH Q12 17 646 ? 21.938 20.103 -14.807 1.0 45.39 ? 775 A 1 -HETATM 6380 O O . HOH Q12 17 647 ? -24.989 36.295 -22.935 1.0 43.64 ? 776 A 1 -HETATM 6381 O O . HOH Q12 17 648 ? -17.497 31.807 -10.15 1.0 42.58 ? 777 A 1 -HETATM 6382 O O . HOH Q12 17 649 ? -6.039 33.991 -21.055 1.0 51.79 ? 778 A 1 -HETATM 6383 O O . HOH Q12 17 650 ? -5.722 3.353 -2.72 1.0 31.55 ? 779 A 1 -HETATM 6384 O O . HOH Q12 17 651 ? -20.602 3.353 -13.238 1.0 49.37 ? 780 A 1 -HETATM 6385 O O . HOH Q12 17 652 ? 30.795 10.225 -34.368 1.0 50.36 ? 781 A 1 -HETATM 6386 O O . HOH Q12 17 653 ? -4.095 16.048 6.473 1.0 46.34 ? 782 A 1 -HETATM 6387 O O . HOH Q12 17 654 ? -10.643 19.894 -11.024 1.0 29.1 ? 783 A 1 -HETATM 6388 O O . HOH Q12 17 655 ? -20.098 17.061 1.818 1.0 45.9 ? 784 A 1 -HETATM 6389 O O . HOH Q12 17 656 ? -22.399 26.672 -31.71 1.0 40.21 ? 785 A 1 -HETATM 6390 O O . HOH Q12 17 657 ? -12.292 1.451 -38.498 1.0 58.52 ? 786 A 1 -HETATM 6391 O O . HOH Q12 17 658 ? -15.241 26.503 -37.757 1.0 67.68 ? 787 A 1 -HETATM 6392 O O . HOH Q12 17 659 ? 11.624 22.377 -7.447 1.0 52.63 ? 788 A 1 -HETATM 6393 O O . HOH Q12 17 660 ? -14.908 15.483 -0.198 1.0 48.52 ? 789 A 1 -HETATM 6394 O O . HOH Q12 17 661 ? 2.648 8.886 1.622 1.0 46.3 ? 790 A 1 -HETATM 6395 O O . HOH Q12 17 662 ? -35.723 18.44 -10.041 1.0 49.75 ? 791 A 1 -HETATM 6396 O O . HOH Q12 17 663 ? -25.079 11.193 3.911 1.0 53.09 ? 792 A 1 -HETATM 6397 O O . HOH Q12 17 664 ? -21.119 20.047 -36.478 1.0 52.6 ? 793 A 1 -HETATM 6398 O O . HOH Q12 17 665 ? -21.435 36.339 -17.224 1.0 55.11 ? 794 A 1 -HETATM 6399 O O . HOH Q12 17 666 ? -19.866 2.36 -36.36 1.0 53.59 ? 795 A 1 -HETATM 6400 O O . HOH Q12 17 667 ? 4.301 1.232 -6.716 1.0 49.92 ? 796 A 1 -HETATM 6401 O O . HOH Q12 17 668 ? -8.848 -1.103 -25.169 1.0 27.86 ? 797 A 1 -HETATM 6402 O O . HOH Q12 17 669 ? -15.414 4.231 -38.292 1.0 31.0 ? 798 A 1 -HETATM 6403 O O . HOH Q12 17 670 ? -31.933 31.636 -25.88 1.0 54.68 ? 799 A 1 -HETATM 6404 O O . HOH Q12 17 671 ? -30.505 36.42 -25.28 1.0 51.92 ? 800 A 1 -HETATM 6405 O O . HOH Q12 17 672 ? 16.456 16.46 -4.947 1.0 55.81 ? 801 A 1 -HETATM 6406 O O . HOH Q12 17 673 ? 14.058 8.305 -6.897 1.0 47.2 ? 802 A 1 -HETATM 6407 O O . HOH Q12 17 674 ? -18.658 4.93 -38.731 1.0 53.99 ? 803 A 1 -HETATM 6408 O O . HOH Q12 17 675 ? -1.803 22.962 0.366 1.0 39.78 ? 804 A 1 -HETATM 6409 O O . HOH Q12 17 676 ? -3.219 9.682 6.721 1.0 43.41 ? 805 A 1 -HETATM 6410 O O . HOH Q12 17 677 ? 19.131 17.233 -8.494 1.0 50.21 ? 806 A 1 -HETATM 6411 O O . HOH Q12 17 678 ? -34.006 8.014 -21.692 1.0 48.75 ? 807 A 1 -HETATM 6412 O O . HOH Q12 17 679 ? -25.537 11.937 -32.44 1.0 31.55 ? 808 A 1 -HETATM 6413 O O A HOH Q12 17 680 ? -22.717 0.234 -29.247 0.57 33.94 ? 809 A 1 -HETATM 6414 O O . HOH Q12 17 681 ? -16.47 1.316 -1.46 1.0 38.28 ? 810 A 1 -HETATM 6415 O O . HOH Q12 17 682 ? 19.952 17.855 -6.85 1.0 52.31 ? 811 A 1 -HETATM 6416 O O . HOH Q12 17 683 ? -16.056 38.993 -16.776 1.0 60.38 ? 812 A 1 -HETATM 6417 O O . HOH Q12 17 684 ? -26.578 -2.141 -11.565 1.0 49.99 ? 813 A 1 -HETATM 6418 O O . HOH Q12 17 685 ? -31.202 10.34 -8.68 1.0 31.49 ? 814 A 1 -HETATM 6419 O O . HOH Q12 17 686 ? -16.272 -0.431 -27.783 1.0 37.22 ? 815 A 1 -HETATM 6420 O O . HOH Q12 17 687 ? -17.925 2.161 -8.841 1.0 45.77 ? 816 A 1 -HETATM 6421 O O . HOH Q12 17 688 ? -25.948 36.669 -20.286 1.0 54.16 ? 817 A 1 -HETATM 6422 O O . HOH Q12 17 689 ? 7.411 2.005 -20.182 1.0 62.22 ? 818 A 1 -HETATM 6423 O O . HOH Q12 17 690 ? -24.54 13.44 -40.024 1.0 49.41 ? 819 A 1 -HETATM 6424 O O . HOH Q12 17 691 ? 19.011 2.307 -19.71 1.0 72.26 ? 820 A 1 -HETATM 6425 O O . HOH Q12 17 692 ? -8.438 36.408 -19.361 1.0 44.71 ? 821 A 1 -HETATM 6426 O O . HOH Q12 17 693 ? 2.756 9.244 -28.131 1.0 41.72 ? 822 A 1 -HETATM 6427 O O . HOH Q12 17 694 ? 7.877 6.549 -21.305 1.0 55.18 ? 823 A 1 -HETATM 6428 O O . HOH Q12 17 695 ? -21.812 36.651 -14.681 1.0 54.51 ? 824 A 1 -HETATM 6429 O O . HOH Q12 17 696 ? -35.13 20.333 -12.863 1.0 55.14 ? 825 A 1 -HETATM 6430 O O . HOH Q12 17 697 ? 7.932 14.244 -1.045 1.0 28.61 ? 826 A 1 -HETATM 6431 O O . HOH Q12 17 698 ? -10.33 -1.791 -29.122 1.0 32.9 ? 827 A 1 -HETATM 6432 O O . HOH Q12 17 699 ? -24.95 27.485 -31.687 1.0 47.37 ? 828 A 1 -HETATM 6433 O O . HOH Q12 17 700 ? -27.741 29.565 -5.431 1.0 36.51 ? 829 A 1 -HETATM 6434 O O . HOH Q12 17 701 ? -30.309 -0.897 -20.418 1.0 32.22 ? 830 A 1 -HETATM 6435 O O . HOH Q12 17 702 ? 15.366 13.07 -32.134 1.0 68.45 ? 831 A 1 -HETATM 6436 O O . HOH Q12 17 703 ? -4.177 30.082 -35.841 1.0 52.9 ? 832 A 1 -HETATM 6437 O O . HOH Q12 17 704 ? -0.527 18.623 3.659 1.0 29.16 ? 833 A 1 -HETATM 6438 O O . HOH Q12 17 705 ? 15.538 22.388 -28.423 1.0 32.17 ? 834 A 1 -HETATM 6439 O O . HOH Q12 17 706 ? -25.057 30.021 -5.334 1.0 47.27 ? 835 A 1 -HETATM 6440 O O . HOH Q12 17 707 ? 16.691 16.851 -30.577 1.0 51.64 ? 836 A 1 -HETATM 6441 O O . HOH Q12 17 708 ? 2.184 0.953 -6.819 1.0 57.87 ? 837 A 1 -HETATM 6442 O O . HOH Q12 17 709 ? -27.675 35.633 -18.166 1.0 51.21 ? 838 A 1 -HETATM 6443 O O . HOH Q12 17 710 ? -34.071 22.607 -14.072 1.0 41.83 ? 839 A 1 -HETATM 6444 O O . HOH Q12 17 711 ? 17.937 24.75 -24.737 1.0 54.26 ? 840 A 1 -HETATM 6445 O O . HOH Q12 17 712 ? -32.856 31.238 -18.108 1.0 58.67 ? 841 A 1 -HETATM 6446 O O . HOH Q12 17 713 ? 1.89 28.301 -11.363 1.0 48.85 ? 842 A 1 -HETATM 6447 O O . HOH Q12 17 714 ? 1.084 33.123 -17.006 1.0 55.94 ? 843 A 1 -HETATM 6448 O O . HOH Q12 17 715 ? -18.263 22.818 1.164 1.0 44.17 ? 844 A 1 -HETATM 6449 O O . HOH Q12 17 716 ? 18.347 4.056 -21.334 1.0 50.61 ? 845 A 1 -HETATM 6450 O O . HOH Q12 17 717 ? 14.028 20.031 -28.61 1.0 36.93 ? 846 A 1 -HETATM 6451 O O . HOH Q12 17 718 ? -4.021 27.53 -34.93 1.0 28.71 ? 847 A 1 -HETATM 6452 O O . HOH Q12 17 719 ? 5.258 30.349 -20.742 1.0 53.33 ? 848 A 1 -HETATM 6453 O O . HOH Q12 17 720 ? 12.749 14.782 -5.299 1.0 51.05 ? 849 A 1 -HETATM 6454 O O . HOH Q12 17 721 ? -32.682 10.538 -6.315 1.0 43.62 ? 850 A 1 -HETATM 6455 O O . HOH Q12 17 722 ? -2.997 32.947 -27.01 1.0 49.82 ? 851 A 1 -HETATM 6456 O O . HOH Q12 17 723 ? -8.608 36.821 -23.965 1.0 49.52 ? 852 A 1 -HETATM 6457 O O . HOH Q12 17 724 ? -31.275 9.384 -12.3 1.0 36.9 ? 853 A 1 -HETATM 6458 O O . HOH Q12 17 725 ? -9.224 24.878 -40.14 1.0 49.04 ? 854 A 1 -HETATM 6459 O O . HOH Q12 17 726 ? -29.556 0.808 -9.907 1.0 45.18 ? 855 A 1 -HETATM 6460 O O . HOH Q12 17 727 ? -2.859 11.429 -40.795 1.0 63.98 ? 856 A 1 -HETATM 6461 O O . HOH Q12 17 728 ? 5.396 28.834 -25.135 1.0 50.13 ? 857 A 1 -HETATM 6462 O O . HOH Q12 17 729 ? -30.014 32.803 -19.098 1.0 42.39 ? 858 A 1 -HETATM 6463 O O . HOH Q12 17 730 ? -14.526 12.801 -41.362 1.0 40.05 ? 859 A 1 -HETATM 6464 O O . HOH Q12 17 731 ? 1.665 6.031 -30.943 1.0 28.39 ? 860 A 1 -HETATM 6465 O O . HOH Q12 17 732 ? 28.197 3.694 -17.794 1.0 51.65 ? 861 A 1 -HETATM 6466 O O . HOH Q12 17 733 ? -0.043 5.768 -33.161 1.0 26.93 ? 862 A 1 -HETATM 6467 O O . HOH Q12 17 734 ? -18.829 29.555 2.369 1.0 71.75 ? 863 A 1 -HETATM 6468 O O . HOH Q12 17 735 ? -11.318 -3.082 -33.279 1.0 44.13 ? 864 A 1 -HETATM 6469 O O . HOH Q12 17 736 ? 26.081 2.239 -15.771 1.0 53.81 ? 865 A 1 -HETATM 6470 O O . HOH Q12 17 737 ? 18.362 6.197 -20.09 1.0 51.22 ? 866 A 1 -HETATM 6471 O O . HOH Q12 17 738 ? -27.299 7.886 -34.247 1.0 49.84 ? 867 A 1 -HETATM 6472 O O . HOH Q12 17 739 ? -30.613 6.014 -6.798 1.0 46.31 ? 868 A 1 -HETATM 6473 O O . HOH Q12 17 740 ? -31.168 2.349 -22.542 1.0 46.5 ? 869 A 1 -HETATM 6474 O O . HOH Q12 17 741 ? -14.08 4.4 -40.735 1.0 57.2 ? 870 A 1 -HETATM 6475 O O . HOH Q12 17 742 ? 15.425 12.844 -28.873 1.0 54.6 ? 871 A 1 -HETATM 6476 O O . HOH Q12 17 743 ? -7.058 23.981 -39.157 1.0 24.7 ? 872 A 1 -HETATM 6477 O O B HOH Q12 17 744 ? -17.781 28.426 -0.941 0.54 49.47 ? 873 A 1 -HETATM 6478 O O . HOH Q12 17 745 ? 11.141 11.962 -30.834 1.0 46.58 ? 874 A 1 -HETATM 6479 O O . HOH Q12 17 746 ? -31.399 6.727 -10.907 1.0 37.13 ? 875 A 1 -HETATM 6480 O O . HOH Q12 17 747 ? -30.732 -0.502 -15.819 1.0 41.52 ? 876 A 1 -HETATM 6481 O O . HOH Q12 17 748 ? -3.534 21.81 2.159 1.0 40.49 ? 877 A 1 -HETATM 6482 O O . HOH Q12 17 749 ? -5.223 22.449 -40.989 1.0 33.98 ? 878 A 1 -HETATM 6483 O O . HOH Q12 17 750 ? 4.872 8.516 -28.777 1.0 48.26 ? 879 A 1 -HETATM 6484 O O . HOH Q12 17 751 ? -22.87 28.752 -2.969 1.0 45.24 ? 880 A 1 -HETATM 6485 O O . HOH Q12 17 752 ? -6.573 -0.82 -28.902 1.0 35.96 ? 881 A 1 -HETATM 6486 O O . HOH Q12 17 753 ? 23.582 2.792 -20.112 1.0 44.6 ? 882 A 1 -HETATM 6487 O O . HOH Q12 17 754 ? -1.666 25.768 0.527 1.0 32.72 ? 883 A 1 -HETATM 6488 O O . HOH Q12 17 755 ? -31.082 30.833 -8.497 1.0 42.34 ? 884 A 1 -HETATM 6489 O O . HOH Q12 17 756 ? -30.972 8.78 -0.181 1.0 40.67 ? 885 A 1 -HETATM 6490 O O . HOH Q12 17 757 ? -34.655 25.537 -24.223 1.0 47.63 ? 886 A 1 -HETATM 6491 O O . HOH Q12 17 758 ? -24.579 30.814 -7.997 1.0 35.22 ? 887 A 1 -HETATM 6492 O O . HOH Q12 17 759 ? -0.313 2.819 -2.717 1.0 49.36 ? 888 A 1 -HETATM 6493 O O . HOH Q12 17 760 ? -36.546 22.245 -20.361 1.0 50.02 ? 889 A 1 -HETATM 6494 O O . HOH Q12 17 761 ? -32.6 9.726 -1.926 1.0 51.63 ? 890 A 1 -HETATM 6495 O O . HOH Q12 17 762 ? 11.646 12.473 -2.84 1.0 57.13 ? 891 A 1 -HETATM 6496 O O . HOH Q12 17 763 ? -21.176 1.393 -2.172 1.0 52.97 ? 892 A 1 -HETATM 6497 O O . HOH Q12 17 764 ? -13.414 9.661 3.866 1.0 42.8 ? 893 A 1 -HETATM 6498 O O . HOH Q12 17 765 ? 17.617 14.615 -7.543 1.0 54.26 ? 894 A 1 -HETATM 6499 O O . HOH Q12 17 766 ? -12.31 9.325 -41.2 1.0 38.7 ? 895 A 1 -HETATM 6500 O O . HOH Q12 17 767 ? -20.916 -1.964 -20.156 1.0 45.22 ? 896 A 1 -HETATM 6501 O O . HOH Q12 17 768 ? -3.859 26.451 -1.109 1.0 31.48 ? 897 A 1 -HETATM 6502 O O . HOH Q12 17 769 ? -20.234 -9.522 -8.763 1.0 55.88 ? 898 A 1 -HETATM 6503 O O . HOH Q12 17 770 ? 27.184 4.947 -21.047 1.0 57.56 ? 899 A 1 -HETATM 6504 O O . HOH Q12 17 771 ? -24.919 3.378 -0.626 1.0 67.49 ? 900 A 1 -HETATM 6505 O O . HOH Q12 17 772 ? -18.554 6.822 1.79 1.0 54.22 ? 901 A 1 -HETATM 6506 O O . HOH Q12 17 773 ? 5.632 18.333 -36.858 1.0 32.87 ? 902 A 1 -HETATM 6507 O O . HOH Q12 17 774 ? 0.616 26.23 -28.68 1.0 36.78 ? 903 A 1 -HETATM 6508 O O . HOH Q12 17 775 ? -24.363 28.417 -1.086 1.0 49.21 ? 904 A 1 -HETATM 6509 O O . HOH Q12 17 776 ? -28.739 5.849 -3.053 1.0 53.43 ? 905 A 1 -HETATM 6510 O O . HOH Q12 17 777 ? 16.37 18.206 -28.365 1.0 32.48 ? 906 A 1 -HETATM 6511 O O . HOH Q12 17 778 ? 3.745 3.978 -27.489 1.0 53.14 ? 907 A 1 -HETATM 6512 O O . HOH Q12 17 779 ? 5.597 14.978 -37.098 1.0 44.7 ? 908 A 1 -HETATM 6513 O O A HOH Q12 17 780 ? -10.66 18.363 -12.968 0.86 32.08 ? 909 A 1 -HETATM 6514 O O . HOH Q12 17 781 ? -4.864 31.064 -1.226 1.0 52.02 ? 910 A 1 -HETATM 6515 O O . HOH Q12 17 782 ? -15.942 35.27 -29.896 1.0 52.51 ? 911 A 1 -HETATM 6516 O O . HOH Q12 17 783 ? -25.337 8.073 1.7 1.0 55.07 ? 912 A 1 -HETATM 6517 O O . HOH Q12 17 784 ? -27.466 -0.463 -26.185 1.0 45.25 ? 913 A 1 -HETATM 6518 O O . HOH Q12 17 785 ? -21.658 29.154 -0.629 1.0 78.1 ? 914 A 1 -HETATM 6519 O O . HOH Q12 17 786 ? -1.818 27.126 -33.21 1.0 41.78 ? 915 A 1 -HETATM 6520 O O . HOH Q12 17 787 ? -12.125 13.194 -42.014 1.0 39.55 ? 916 A 1 -HETATM 6521 O O . HOH Q12 17 788 ? -16.856 -3.918 -30.732 1.0 55.34 ? 917 A 1 -HETATM 6522 O O . HOH Q12 17 789 ? -11.71 26.012 -44.308 1.0 56.23 ? 918 A 1 -HETATM 6523 O O . HOH Q12 17 790 ? -12.523 -3.037 -28.072 1.0 54.13 ? 919 A 1 -HETATM 6524 O O . HOH Q12 17 791 ? -4.231 -2.521 -28.883 1.0 56.89 ? 920 A 1 -HETATM 6525 O O . HOH Q12 17 792 ? -31.746 4.92 -22.512 1.0 47.8 ? 921 A 1 -HETATM 6526 O O . HOH Q12 17 793 ? -30.005 35.872 -20.346 1.0 57.0 ? 922 A 1 -HETATM 6527 O O . HOH Q12 17 794 ? -8.355 -3.836 -29.781 1.0 51.58 ? 923 A 1 -HETATM 6528 O O . HOH Q12 17 795 ? -0.834 0.489 -6.205 1.0 54.17 ? 924 A 1 -HETATM 6529 O O . HOH Q12 17 796 ? -4.398 28.91 -0.263 1.0 43.73 ? 925 A 1 -HETATM 6530 O O . HOH Q12 17 797 ? -2.523 29.748 -31.82 1.0 44.4 ? 926 A 1 -HETATM 6531 O O . HOH Q12 17 798 ? 12.068 11.646 0.601 1.0 65.71 ? 927 A 1 -HETATM 6532 O O . HOH Q12 17 799 ? -11.446 12.037 -44.424 1.0 56.24 ? 928 A 1 -HETATM 6533 O O . HOH Q12 17 800 ? 18.981 13.053 -6.917 1.0 54.14 ? 929 A 1 -HETATM 6534 O O . HOH Q12 17 801 ? -32.518 8.24 -4.408 1.0 51.72 ? 930 A 1 -HETATM 6535 O O . HOH Q12 17 802 ? -30.193 -1.93 -8.743 1.0 61.15 ? 931 A 1 -HETATM 6536 O O . HOH Q12 17 803 ? -8.626 25.044 -47.258 1.0 55.02 ? 932 A 1 -HETATM 6537 O O . HOH Q12 17 804 ? -5.403 25.976 -42.947 1.0 57.15 ? 933 A 1 +ATOM 1 N N . MET A 1 1 ? 38.148 15.945 -39.073 0.79 41.59 ? -9 A 1 +ATOM 2 C CA . MET A 1 1 ? 36.885 15.61 -38.335 0.79 76.65 ? -9 A 1 +ATOM 3 C C . MET A 1 1 ? 37.158 14.603 -37.223 0.79 73.14 ? -9 A 1 +ATOM 4 O O . MET A 1 1 ? 37.995 13.711 -37.337 0.79 78.18 ? -9 A 1 +ATOM 5 C CB . MET A 1 1 ? 35.785 15.067 -39.263 0.79 41.4 ? -9 A 1 +ATOM 6 C CG . MET A 1 1 ? 34.44 14.758 -38.636 0.79 36.33 ? -9 A 1 +ATOM 7 S SD . MET A 1 1 ? 33.713 16.096 -37.624 0.79 36.0 ? -9 A 1 +ATOM 8 C CE . MET A 1 1 ? 33.668 17.43 -38.787 0.79 35.87 ? -9 A 1 +ATOM 9 H H1 . MET A 1 1 ? 37.959 16.487 -39.754 0.79 49.91 ? -9 A 1 +ATOM 10 H H2 . MET A 1 1 ? 38.716 16.35 -38.521 0.79 49.91 ? -9 A 1 +ATOM 11 H H3 . MET A 1 1 ? 38.517 15.197 -39.383 0.79 49.91 ? -9 A 1 +ATOM 12 H HA . MET A 1 1 ? 36.546 16.437 -37.957 0.79 91.98 ? -9 A 1 +ATOM 13 H HB2 . MET A 1 1 ? 35.628 15.726 -39.957 0.79 49.68 ? -9 A 1 +ATOM 14 H HB3 . MET A 1 1 ? 36.108 14.241 -39.657 0.79 49.68 ? -9 A 1 +ATOM 15 H HG2 . MET A 1 1 ? 33.81 14.562 -39.348 0.79 43.6 ? -9 A 1 +ATOM 16 H HG3 . MET A 1 1 ? 34.542 13.985 -38.061 0.79 43.6 ? -9 A 1 +ATOM 17 H HE1 . MET A 1 1 ? 33.292 18.213 -38.354 0.79 43.05 ? -9 A 1 +ATOM 18 H HE2 . MET A 1 1 ? 34.571 17.619 -39.086 0.79 43.05 ? -9 A 1 +ATOM 19 H HE3 . MET A 1 1 ? 33.116 17.172 -39.542 0.79 43.05 ? -9 A 1 +ATOM 20 N N . TRP A 1 2 ? 36.397 14.756 -36.154 1.0 51.72 ? -8 A 1 +ATOM 21 C CA . TRP A 1 2 ? 36.576 14.031 -34.911 1.0 37.95 ? -8 A 1 +ATOM 22 C C . TRP A 1 2 ? 35.234 13.355 -34.569 1.0 60.47 ? -8 A 1 +ATOM 23 O O . TRP A 1 2 ? 34.2 13.59 -35.212 1.0 39.4 ? -8 A 1 +ATOM 24 C CB . TRP A 1 2 ? 36.969 15.024 -33.802 1.0 41.92 ? -8 A 1 +ATOM 25 C CG . TRP A 1 2 ? 35.911 16.127 -33.579 1.0 49.1 ? -8 A 1 +ATOM 26 C CD1 . TRP A 1 2 ? 34.842 16.078 -32.737 1.0 41.65 ? -8 A 1 +ATOM 27 C CD2 . TRP A 1 2 ? 35.847 17.403 -34.224 1.0 37.75 ? -8 A 1 +ATOM 28 N NE1 . TRP A 1 2 ? 34.11 17.246 -32.808 1.0 42.91 ? -8 A 1 +ATOM 29 C CE2 . TRP A 1 2 ? 34.703 18.069 -33.725 1.0 45.83 ? -8 A 1 +ATOM 30 C CE3 . TRP A 1 2 ? 36.639 18.044 -35.193 1.0 41.88 ? -8 A 1 +ATOM 31 C CZ2 . TRP A 1 2 ? 34.342 19.349 -34.141 1.0 44.65 ? -8 A 1 +ATOM 32 C CZ3 . TRP A 1 2 ? 36.273 19.312 -35.607 1.0 82.58 ? -8 A 1 +ATOM 33 C CH2 . TRP A 1 2 ? 35.132 19.948 -35.084 1.0 66.0 ? -8 A 1 +ATOM 34 H H . TRP A 1 2 ? 35.735 15.304 -36.123 1.0 62.07 ? -8 A 1 +ATOM 35 H HA . TRP A 1 2 ? 37.261 13.348 -34.986 1.0 45.54 ? -8 A 1 +ATOM 36 H HB2 . TRP A 1 2 ? 37.077 14.539 -32.969 1.0 50.3 ? -8 A 1 +ATOM 37 H HB3 . TRP A 1 2 ? 37.804 15.454 -34.046 1.0 50.3 ? -8 A 1 +ATOM 38 H HD1 . TRP A 1 2 ? 34.633 15.356 -32.19 1.0 49.98 ? -8 A 1 +ATOM 39 H HE1 . TRP A 1 2 ? 33.403 17.426 -32.353 1.0 51.5 ? -8 A 1 +ATOM 40 H HE3 . TRP A 1 2 ? 37.391 17.625 -35.547 1.0 50.25 ? -8 A 1 +ATOM 41 H HZ2 . TRP A 1 2 ? 33.594 19.778 -33.792 1.0 53.58 ? -8 A 1 +ATOM 42 H HZ3 . TRP A 1 2 ? 36.789 19.751 -36.244 1.0 99.1 ? -8 A 1 +ATOM 43 H HH2 . TRP A 1 2 ? 34.909 20.799 -35.386 1.0 79.2 ? -8 A 1 +ATOM 44 N N . SER A 1 3 ? 35.238 12.526 -33.522 1.0 29.85 ? -7 A 1 +ATOM 45 C CA A SER A 1 3 ? 34.091 11.739 -33.112 0.63 28.25 ? -7 A 1 +ATOM 46 C CA B SER A 1 3 ? 34.095 11.738 -33.109 0.37 28.25 ? -7 A 1 +ATOM 47 C C . SER A 1 3 ? 33.087 12.601 -32.344 1.0 27.43 ? -7 A 1 +ATOM 48 O O . SER A 1 3 ? 33.363 13.725 -31.927 1.0 36.37 ? -7 A 1 +ATOM 49 C CB A SER A 1 3 ? 34.537 10.559 -32.252 0.63 38.49 ? -7 A 1 +ATOM 50 C CB B SER A 1 3 ? 34.57 10.572 -32.243 0.37 36.36 ? -7 A 1 +ATOM 51 O OG A SER A 1 3 ? 33.445 9.699 -31.985 0.63 63.39 ? -7 A 1 +ATOM 52 O OG B SER A 1 3 ? 35.205 11.043 -31.066 0.37 62.85 ? -7 A 1 +ATOM 53 H H . SER A 1 3 ? 35.923 12.401 -33.017 1.0 35.82 ? -7 A 1 +ATOM 54 H HA . SER A 1 3 ? 33.648 11.394 -33.902 1.0 33.9 ? -7 A 1 +ATOM 55 H HB2 A SER A 1 3 ? 35.223 10.064 -32.725 0.63 46.19 ? -7 A 1 +ATOM 56 H HB2 B SER A 1 3 ? 33.804 10.031 -31.994 0.37 43.64 ? -7 A 1 +ATOM 57 H HB3 A SER A 1 3 ? 34.889 10.894 -31.412 0.63 46.19 ? -7 A 1 +ATOM 58 H HB3 B SER A 1 3 ? 35.202 10.039 -32.751 0.37 43.64 ? -7 A 1 +ATOM 59 H HG A SER A 1 3 ? 33.692 9.068 -31.488 0.63 76.07 ? -7 A 1 +ATOM 60 H HG B SER A 1 3 ? 34.661 11.488 -30.605 0.37 75.43 ? -7 A 1 +ATOM 61 N N . HIS A 1 4 ? 31.903 12.063 -32.172 1.0 26.34 ? -6 A 1 +ATOM 62 C CA . HIS A 1 4 ? 30.834 12.761 -31.484 1.0 25.69 ? -6 A 1 +ATOM 63 C C . HIS A 1 4 ? 30.056 11.791 -30.615 1.0 24.36 ? -6 A 1 +ATOM 64 O O . HIS A 1 4 ? 28.874 11.508 -30.852 1.0 27.57 ? -6 A 1 +ATOM 65 C CB . HIS A 1 4 ? 29.885 13.431 -32.497 1.0 31.17 ? -6 A 1 +ATOM 66 C CG . HIS A 1 4 ? 28.911 14.393 -31.898 1.0 33.72 ? -6 A 1 +ATOM 67 N ND1 . HIS A 1 4 ? 29.313 15.567 -31.292 1.0 32.82 ? -6 A 1 +ATOM 68 C CD2 . HIS A 1 4 ? 27.558 14.413 -31.907 1.0 40.6 ? -6 A 1 +ATOM 69 C CE1 . HIS A 1 4 ? 28.243 16.251 -30.931 1.0 30.94 ? -6 A 1 +ATOM 70 N NE2 . HIS A 1 4 ? 27.162 15.556 -31.248 1.0 30.54 ? -6 A 1 +ATOM 71 H H . HIS A 1 4 ? 31.685 11.278 -32.45 1.0 31.61 ? -6 A 1 +ATOM 72 H HA . HIS A 1 4 ? 31.233 13.434 -30.91 1.0 30.83 ? -6 A 1 +ATOM 73 H HB2 . HIS A 1 4 ? 30.418 13.919 -33.143 1.0 37.4 ? -6 A 1 +ATOM 74 H HB3 . HIS A 1 4 ? 29.374 12.738 -32.945 1.0 37.4 ? -6 A 1 +ATOM 75 H HD1 . HIS A 1 4 ? 30.128 15.812 -31.169 1.0 39.38 ? -6 A 1 +ATOM 76 H HD2 . HIS A 1 4 ? 27.0 13.774 -32.287 1.0 48.72 ? -6 A 1 +ATOM 77 H HE1 . HIS A 1 4 ? 28.248 17.085 -30.521 1.0 37.12 ? -6 A 1 +ATOM 78 N N . PRO A 1 5 ? 30.646 11.321 -29.516 1.0 25.28 ? -5 A 1 +ATOM 79 C CA . PRO A 1 5 ? 29.93 10.356 -28.687 1.0 24.96 ? -5 A 1 +ATOM 80 C C . PRO A 1 5 ? 28.873 10.989 -27.816 1.0 24.39 ? -5 A 1 +ATOM 81 O O . PRO A 1 5 ? 28.908 12.182 -27.52 1.0 30.77 ? -5 A 1 +ATOM 82 C CB . PRO A 1 5 ? 31.044 9.786 -27.805 1.0 26.01 ? -5 A 1 +ATOM 83 C CG . PRO A 1 5 ? 32.069 10.791 -27.814 1.0 27.78 ? -5 A 1 +ATOM 84 C CD . PRO A 1 5 ? 31.989 11.621 -29.065 1.0 27.01 ? -5 A 1 +ATOM 85 H HA . PRO A 1 5 ? 29.526 9.673 -29.245 1.0 29.95 ? -5 A 1 +ATOM 86 H HB2 . PRO A 1 5 ? 30.711 9.636 -26.907 1.0 31.22 ? -5 A 1 +ATOM 87 H HB3 . PRO A 1 5 ? 31.37 8.953 -28.181 1.0 31.22 ? -5 A 1 +ATOM 88 H HG2 . PRO A 1 5 ? 31.947 11.36 -27.038 1.0 33.34 ? -5 A 1 +ATOM 89 H HG3 . PRO A 1 5 ? 32.931 10.35 -27.771 1.0 33.34 ? -5 A 1 +ATOM 90 H HD2 . PRO A 1 5 ? 32.094 12.565 -28.87 1.0 32.41 ? -5 A 1 +ATOM 91 H HD3 . PRO A 1 5 ? 32.651 11.341 -29.717 1.0 32.41 ? -5 A 1 +ATOM 92 N N . GLN A 1 6 ? 27.874 10.185 -27.464 1.0 23.78 ? -4 A 1 +ATOM 93 C CA . GLN A 1 6 ? 26.799 10.587 -26.595 1.0 23.02 ? -4 A 1 +ATOM 94 C C . GLN A 1 6 ? 27.211 10.457 -25.129 1.0 24.25 ? -4 A 1 +ATOM 95 O O . GLN A 1 6 ? 28.094 9.691 -24.801 1.0 27.41 ? -4 A 1 +ATOM 96 C CB . GLN A 1 6 ? 25.61 9.66 -26.823 1.0 24.39 ? -4 A 1 +ATOM 97 C CG . GLN A 1 6 ? 24.956 9.818 -28.22 1.0 37.55 ? -4 A 1 +ATOM 98 H H . GLN A 1 6 ? 27.802 9.371 -27.731 1.0 28.54 ? -4 A 1 +ATOM 99 H HA . GLN A 1 6 ? 26.562 11.509 -26.779 1.0 27.62 ? -4 A 1 +ATOM 100 H HB2 . GLN A 1 6 ? 25.908 8.742 -26.738 1.0 29.27 ? -4 A 1 +ATOM 101 H HB3 . GLN A 1 6 ? 24.932 9.852 -26.155 1.0 29.27 ? -4 A 1 +ATOM 102 N N . PHE A 1 7 ? 26.523 11.19 -24.294 1.0 24.25 ? -3 A 1 +ATOM 103 C CA . PHE A 1 7 ? 26.769 11.152 -22.851 1.0 23.83 ? -3 A 1 +ATOM 104 C C . PHE A 1 7 ? 26.07 9.96 -22.223 1.0 26.94 ? -3 A 1 +ATOM 105 O O . PHE A 1 7 ? 25.039 9.48 -22.696 1.0 28.29 ? -3 A 1 +ATOM 106 C CB . PHE A 1 7 ? 26.202 12.43 -22.239 1.0 22.45 ? -3 A 1 +ATOM 107 C CG . PHE A 1 7 ? 26.994 13.655 -22.589 1.0 22.39 ? -3 A 1 +ATOM 108 C CD1 . PHE A 1 7 ? 28.253 13.859 -22.148 1.0 22.48 ? -3 A 1 +ATOM 109 C CD2 . PHE A 1 7 ? 26.445 14.634 -23.393 1.0 48.1 ? -3 A 1 +ATOM 110 C CE1 . PHE A 1 7 ? 28.984 14.967 -22.405 1.0 23.69 ? -3 A 1 +ATOM 111 C CE2 . PHE A 1 7 ? 27.189 15.774 -23.716 1.0 40.66 ? -3 A 1 +ATOM 112 C CZ . PHE A 1 7 ? 28.451 15.934 -23.212 1.0 36.7 ? -3 A 1 +ATOM 113 H H . PHE A 1 7 ? 25.896 11.73 -24.527 1.0 29.11 ? -3 A 1 +ATOM 114 H HA . PHE A 1 7 ? 27.719 11.078 -22.668 1.0 28.6 ? -3 A 1 +ATOM 115 H HB2 . PHE A 1 7 ? 25.297 12.558 -22.562 1.0 26.95 ? -3 A 1 +ATOM 116 H HB3 . PHE A 1 7 ? 26.2 12.342 -21.273 1.0 26.95 ? -3 A 1 +ATOM 117 H HD1 . PHE A 1 7 ? 28.644 13.192 -21.631 1.0 26.97 ? -3 A 1 +ATOM 118 H HD2 . PHE A 1 7 ? 25.58 14.536 -23.72 1.0 57.71 ? -3 A 1 +ATOM 119 H HE1 . PHE A 1 7 ? 29.834 15.069 -22.041 1.0 28.43 ? -3 A 1 +ATOM 120 H HE2 . PHE A 1 7 ? 26.825 16.423 -24.275 1.0 48.79 ? -3 A 1 +ATOM 121 H HZ . PHE A 1 7 ? 28.942 16.696 -23.416 1.0 44.04 ? -3 A 1 +ATOM 122 N N . GLU A 1 8 ? 26.632 9.501 -21.115 1.0 25.59 ? -2 A 1 +ATOM 123 C CA . GLU A 1 8 ? 26.009 8.428 -20.348 1.0 29.53 ? -2 A 1 +ATOM 124 C C . GLU A 1 8 ? 24.61 8.778 -19.864 1.0 26.25 ? -2 A 1 +ATOM 125 O O . GLU A 1 8 ? 24.321 9.884 -19.391 1.0 25.07 ? -2 A 1 +ATOM 126 C CB . GLU A 1 8 ? 26.922 8.09 -19.165 1.0 29.58 ? -2 A 1 +ATOM 127 C CG . GLU A 1 8 ? 26.626 6.753 -18.496 1.0 69.91 ? -2 A 1 +ATOM 128 C CD . GLU A 1 8 ? 25.582 6.852 -17.405 1.0 107.8 ? -2 A 1 +ATOM 129 O OE1 . GLU A 1 8 ? 25.557 7.881 -16.687 1.0 49.86 ? -2 A 1 +ATOM 130 O OE2 . GLU A 1 8 ? 24.789 5.892 -17.262 1.0 36.84 ? -2 A 1 +ATOM 131 H H . GLU A 1 8 ? 27.371 9.791 -20.785 1.0 30.7 ? -2 A 1 +ATOM 132 H HA . GLU A 1 8 ? 25.899 7.65 -20.917 1.0 35.44 ? -2 A 1 +ATOM 133 H HB2 . GLU A 1 8 ? 27.839 8.062 -19.48 1.0 35.5 ? -2 A 1 +ATOM 134 H HB3 . GLU A 1 8 ? 26.824 8.781 -18.491 1.0 35.5 ? -2 A 1 +ATOM 135 H HG2 . GLU A 1 8 ? 26.299 6.132 -19.166 1.0 83.9 ? -2 A 1 +ATOM 136 H HG3 . GLU A 1 8 ? 27.442 6.412 -18.098 1.0 83.9 ? -2 A 1 +ATOM 137 N N . LYS A 1 9 ? 23.739 7.751 -19.85 1.0 28.53 ? -1 A 1 +ATOM 138 C CA . LYS A 1 9 ? 22.313 7.942 -19.606 1.0 28.31 ? -1 A 1 +ATOM 139 C C . LYS A 1 9 ? 21.967 8.358 -18.174 1.0 23.68 ? -1 A 1 +ATOM 140 O O . LYS A 1 9 ? 21.176 9.268 -17.966 1.0 25.84 ? -1 A 1 +ATOM 141 C CB . LYS A 1 9 ? 21.569 6.649 -19.99 1.0 29.13 ? -1 A 1 +ATOM 142 C CG . LYS A 1 9 ? 21.697 6.312 -21.459 1.0 40.7 ? -1 A 1 +ATOM 143 H H . LYS A 1 9 ? 23.958 6.929 -19.982 1.0 34.23 ? -1 A 1 +ATOM 144 H HA . LYS A 1 9 ? 22.018 8.679 -20.163 1.0 33.97 ? -1 A 1 +ATOM 145 H HB2 . LYS A 1 9 ? 21.936 5.91 -19.48 1.0 34.96 ? -1 A 1 +ATOM 146 H HB3 . LYS A 1 9 ? 20.626 6.755 -19.788 1.0 34.96 ? -1 A 1 +ATOM 147 N N . ALA A 1 10 ? 22.541 7.7 -17.158 1.0 27.77 ? 0 A 1 +ATOM 148 C CA . ALA A 1 10 ? 22.168 8.046 -15.794 1.0 32.88 ? 0 A 1 +ATOM 149 C C . ALA A 1 10 ? 22.572 9.48 -15.477 1.0 25.14 ? 0 A 1 +ATOM 150 O O . ALA A 1 10 ? 21.811 10.22 -14.86 1.0 26.67 ? 0 A 1 +ATOM 151 C CB . ALA A 1 10 ? 22.841 7.093 -14.797 1.0 40.14 ? 0 A 1 +ATOM 152 H H . ALA A 1 10 ? 23.125 7.074 -17.235 1.0 33.33 ? 0 A 1 +ATOM 153 H HA . ALA A 1 10 ? 21.206 7.955 -15.702 1.0 39.45 ? 0 A 1 +ATOM 154 H HB1 . ALA A 1 10 ? 22.582 7.344 -13.897 1.0 48.16 ? 0 A 1 +ATOM 155 H HB2 . ALA A 1 10 ? 22.552 6.186 -14.984 1.0 48.16 ? 0 A 1 +ATOM 156 H HB3 . ALA A 1 10 ? 23.803 7.161 -14.896 1.0 48.16 ? 0 A 1 +ATOM 157 N N . SER A 1 11 ? 23.757 9.886 -15.915 1.0 29.79 ? 1 A 1 +ATOM 158 C CA . SER A 1 11 ? 24.198 11.235 -15.579 1.0 27.03 ? 1 A 1 +ATOM 159 C C . SER A 1 11 ? 23.384 12.274 -16.34 1.0 23.91 ? 1 A 1 +ATOM 160 O O . SER A 1 11 ? 22.95 13.267 -15.741 1.0 24.82 ? 1 A 1 +ATOM 161 C CB . SER A 1 11 ? 25.659 11.439 -15.899 1.0 32.94 ? 1 A 1 +ATOM 162 O OG . SER A 1 11 ? 25.972 12.758 -15.498 1.0 30.22 ? 1 A 1 +ATOM 163 H H . SER A 1 11 ? 24.304 9.42 -16.388 1.0 35.75 ? 1 A 1 +ATOM 164 H HA . SER A 1 11 ? 24.08 11.349 -14.623 1.0 32.44 ? 1 A 1 +ATOM 165 H HB2 . SER A 1 11 ? 26.201 10.803 -15.407 1.0 39.53 ? 1 A 1 +ATOM 166 H HB3 . SER A 1 11 ? 25.81 11.336 -16.852 1.0 39.53 ? 1 A 1 +ATOM 167 H HG . SER A 1 11 ? 26.741 12.964 -15.764 1.0 36.27 ? 1 A 1 +ATOM 168 N N . THR A 1 12 ? 23.071 11.994 -17.619 1.0 24.48 ? 2 A 1 +ATOM 169 C CA . THR A 1 12 ? 22.142 12.835 -18.388 1.0 22.44 ? 2 A 1 +ATOM 170 C C . THR A 1 12 ? 20.8 12.944 -17.679 1.0 24.37 ? 2 A 1 +ATOM 171 O O . THR A 1 12 ? 20.262 14.04 -17.484 1.0 24.1 ? 2 A 1 +ATOM 172 C CB . THR A 1 12 ? 21.902 12.264 -19.776 1.0 23.42 ? 2 A 1 +ATOM 173 O OG1 . THR A 1 12 ? 23.105 12.36 -20.515 1.0 28.21 ? 2 A 1 +ATOM 174 C CG2 . THR A 1 12 ? 20.819 13.054 -20.49 1.0 27.46 ? 2 A 1 +ATOM 175 H H . THR A 1 12 ? 23.383 11.326 -18.061 1.0 29.38 ? 2 A 1 +ATOM 176 H HA . THR A 1 12 ? 22.55 13.711 -18.477 1.0 26.92 ? 2 A 1 +ATOM 177 H HB . THR A 1 12 ? 21.617 11.339 -19.713 1.0 28.1 ? 2 A 1 +ATOM 178 H HG1 . THR A 1 12 ? 23.715 11.93 -20.129 1.0 33.86 ? 2 A 1 +ATOM 179 H HG21 . THR A 1 12 ? 20.895 12.93 -21.449 1.0 32.95 ? 2 A 1 +ATOM 180 H HG22 . THR A 1 12 ? 19.943 12.752 -20.202 1.0 32.95 ? 2 A 1 +ATOM 181 H HG23 . THR A 1 12 ? 20.908 13.999 -20.286 1.0 32.95 ? 2 A 1 +ATOM 182 N N . GLY A 1 13 ? 20.284 11.818 -17.21 1.0 22.35 ? 3 A 1 +ATOM 183 C CA . GLY A 1 13 ? 19.055 11.861 -16.42 1.0 23.55 ? 3 A 1 +ATOM 184 C C . GLY A 1 13 ? 19.172 12.688 -15.15 1.0 22.85 ? 3 A 1 +ATOM 185 O O . GLY A 1 13 ? 18.268 13.45 -14.787 1.0 24.72 ? 3 A 1 +ATOM 186 H H . GLY A 1 13 ? 20.614 11.033 -17.328 1.0 26.82 ? 3 A 1 +ATOM 187 H HA2 . GLY A 1 13 ? 18.346 12.241 -16.962 1.0 28.26 ? 3 A 1 +ATOM 188 H HA3 . GLY A 1 13 ? 18.81 10.957 -16.168 1.0 28.26 ? 3 A 1 +ATOM 189 N N . ARG A 1 14 ? 20.3 12.569 -14.456 1.0 23.83 ? 4 A 1 +ATOM 190 C CA . ARG A 1 14 ? 20.472 13.36 -13.245 1.0 27.88 ? 4 A 1 +ATOM 191 C C . ARG A 1 14 ? 20.564 14.849 -13.602 1.0 26.39 ? 4 A 1 +ATOM 192 O O . ARG A 1 14 ? 20.095 15.71 -12.859 1.0 32.82 ? 4 A 1 +ATOM 193 C CB . ARG A 1 14 ? 21.74 12.914 -12.471 1.0 33.78 ? 4 A 1 +ATOM 194 C CG . ARG A 1 14 ? 21.559 11.537 -11.752 1.0 32.28 ? 4 A 1 +ATOM 195 C CD . ARG A 1 14 ? 22.699 11.213 -10.769 1.0 30.62 ? 4 A 1 +ATOM 196 N NE . ARG A 1 14 ? 23.986 11.187 -11.435 1.0 33.27 ? 4 A 1 +ATOM 197 C CZ . ARG A 1 14 ? 24.548 10.094 -11.971 1.0 57.78 ? 4 A 1 +ATOM 198 N NH1 . ARG A 1 14 ? 23.95 8.905 -11.915 1.0 37.08 ? 4 A 1 +ATOM 199 N NH2 . ARG A 1 14 ? 25.728 10.187 -12.55 1.0 36.56 ? 4 A 1 +ATOM 200 H H . ARG A 1 14 ? 20.959 12.055 -14.658 1.0 28.6 ? 4 A 1 +ATOM 201 H HA . ARG A 1 14 ? 19.711 13.215 -12.66 1.0 33.46 ? 4 A 1 +ATOM 202 H HB2 . ARG A 1 14 ? 22.478 12.832 -13.095 1.0 40.54 ? 4 A 1 +ATOM 203 H HB3 . ARG A 1 14 ? 21.948 13.579 -11.796 1.0 40.54 ? 4 A 1 +ATOM 204 H HG2 . ARG A 1 14 ? 20.728 11.549 -11.251 1.0 38.74 ? 4 A 1 +ATOM 205 H HG3 . ARG A 1 14 ? 21.532 10.834 -12.42 1.0 38.74 ? 4 A 1 +ATOM 206 H HD2 . ARG A 1 14 ? 22.728 11.892 -10.076 1.0 36.75 ? 4 A 1 +ATOM 207 H HD3 . ARG A 1 14 ? 22.543 10.341 -10.373 1.0 36.75 ? 4 A 1 +ATOM 208 H HE . ARG A 1 14 ? 24.422 11.926 -11.49 1.0 39.93 ? 4 A 1 +ATOM 209 H HH11 . ARG A 1 14 ? 23.186 8.825 -11.528 1.0 44.5 ? 4 A 1 +ATOM 210 H HH12 . ARG A 1 14 ? 24.328 8.216 -12.265 1.0 44.5 ? 4 A 1 +ATOM 211 H HH21 . ARG A 1 14 ? 26.132 10.946 -12.582 1.0 43.87 ? 4 A 1 +ATOM 212 H HH22 . ARG A 1 14 ? 26.094 9.49 -12.896 1.0 43.87 ? 4 A 1 +ATOM 213 N N . GLU A 1 15 ? 21.198 15.156 -14.706 1.0 25.65 ? 5 A 1 +ATOM 214 C CA . GLU A 1 15 ? 21.264 16.554 -15.15 1.0 30.27 ? 5 A 1 +ATOM 215 C C . GLU A 1 15 ? 19.891 17.084 -15.572 1.0 24.14 ? 5 A 1 +ATOM 216 O O . GLU A 1 15 ? 19.563 18.239 -15.295 1.0 27.91 ? 5 A 1 +ATOM 217 C CB . GLU A 1 15 ? 22.283 16.719 -16.265 1.0 26.51 ? 5 A 1 +ATOM 218 C CG . GLU A 1 15 ? 23.76 16.717 -15.647 1.0 36.46 ? 5 A 1 +ATOM 219 C CD . GLU A 1 15 ? 24.891 17.064 -16.619 1.0 84.59 ? 5 A 1 +ATOM 220 O OE1 . GLU A 1 15 ? 24.669 16.827 -17.823 1.0 62.11 ? 5 A 1 +ATOM 221 O OE2 . GLU A 1 15 ? 26.002 17.557 -16.187 1.0 31.23 ? 5 A 1 +ATOM 222 H H . GLU A 1 15 ? 21.597 14.594 -15.22 1.0 30.78 ? 5 A 1 +ATOM 223 H HA . GLU A 1 15 ? 21.566 17.093 -14.402 1.0 36.32 ? 5 A 1 +ATOM 224 H HB2 . GLU A 1 15 ? 22.205 15.983 -16.892 1.0 31.82 ? 5 A 1 +ATOM 225 H HB3 . GLU A 1 15 ? 22.136 17.562 -16.722 1.0 31.82 ? 5 A 1 +ATOM 226 H HG2 . GLU A 1 15 ? 23.79 17.368 -14.928 1.0 43.75 ? 5 A 1 +ATOM 227 H HG3 . GLU A 1 15 ? 23.943 15.83 -15.299 1.0 43.75 ? 5 A 1 +ATOM 228 N N . ILE A 1 16 ? 19.081 16.258 -16.22 1.0 23.23 ? 6 A 1 +ATOM 229 C CA . ILE A 1 16 ? 17.701 16.66 -16.524 1.0 22.2 ? 6 A 1 +ATOM 230 C C . ILE A 1 16 ? 16.905 16.926 -15.244 1.0 23.61 ? 6 A 1 +ATOM 231 O O . ILE A 1 16 ? 16.211 17.945 -15.124 1.0 25.49 ? 6 A 1 +ATOM 232 C CB . ILE A 1 16 ? 17.031 15.613 -17.421 1.0 22.84 ? 6 A 1 +ATOM 233 C CG1 . ILE A 1 16 ? 17.66 15.544 -18.815 1.0 24.96 ? 6 A 1 +ATOM 234 C CG2 . ILE A 1 16 ? 15.517 15.874 -17.557 1.0 22.82 ? 6 A 1 +ATOM 235 C CD1 . ILE A 1 16 ? 17.553 16.818 -19.644 1.0 27.36 ? 6 A 1 +ATOM 236 H H . ILE A 1 16 ? 19.295 15.472 -16.493 1.0 27.88 ? 6 A 1 +ATOM 237 H HA . ILE A 1 16 ? 17.727 17.498 -17.012 1.0 26.64 ? 6 A 1 +ATOM 238 H HB . ILE A 1 16 ? 17.175 14.761 -16.981 1.0 27.41 ? 6 A 1 +ATOM 239 H HG12 . ILE A 1 16 ? 18.604 15.343 -18.715 1.0 29.95 ? 6 A 1 +ATOM 240 H HG13 . ILE A 1 16 ? 17.221 14.837 -19.314 1.0 29.95 ? 6 A 1 +ATOM 241 H HG21 . ILE A 1 16 ? 15.174 15.36 -18.306 1.0 27.39 ? 6 A 1 +ATOM 242 H HG22 . ILE A 1 16 ? 15.074 15.601 -16.739 1.0 27.39 ? 6 A 1 +ATOM 243 H HG23 . ILE A 1 16 ? 15.372 16.821 -17.712 1.0 27.39 ? 6 A 1 +ATOM 244 H HD11 . ILE A 1 16 ? 17.903 16.647 -20.532 1.0 32.83 ? 6 A 1 +ATOM 245 H HD12 . ILE A 1 16 ? 16.621 17.081 -19.701 1.0 32.83 ? 6 A 1 +ATOM 246 H HD13 . ILE A 1 16 ? 18.069 17.518 -19.215 1.0 32.83 ? 6 A 1 +ATOM 247 N N . LEU A 1 17 ? 17.007 16.033 -14.251 1.0 23.41 ? 7 A 1 +ATOM 248 C CA . LEU A 1 17 ? 16.324 16.247 -12.971 1.0 24.52 ? 7 A 1 +ATOM 249 C C . LEU A 1 17 ? 16.76 17.543 -12.311 1.0 24.47 ? 7 A 1 +ATOM 250 O O . LEU A 1 17 ? 15.918 18.276 -11.782 1.0 28.2 ? 7 A 1 +ATOM 251 C CB . LEU A 1 17 ? 16.555 15.062 -12.021 1.0 25.43 ? 7 A 1 +ATOM 252 C CG . LEU A 1 17 ? 15.876 13.781 -12.48 1.0 23.71 ? 7 A 1 +ATOM 253 C CD1 . LEU A 1 17 ? 16.474 12.537 -11.806 1.0 27.62 ? 7 A 1 +ATOM 254 C CD2 . LEU A 1 17 ? 14.367 13.813 -12.227 1.0 28.12 ? 7 A 1 +ATOM 255 H H . LEU A 1 17 ? 17.46 15.303 -14.293 1.0 28.09 ? 7 A 1 +ATOM 256 H HA . LEU A 1 17 ? 15.372 16.304 -13.149 1.0 29.42 ? 7 A 1 +ATOM 257 H HB2 . LEU A 1 17 ? 17.508 14.89 -11.962 1.0 30.51 ? 7 A 1 +ATOM 258 H HB3 . LEU A 1 17 ? 16.204 15.289 -11.146 1.0 30.51 ? 7 A 1 +ATOM 259 H HG . LEU A 1 17 ? 16.029 13.715 -13.435 1.0 28.45 ? 7 A 1 +ATOM 260 H HD11 . LEU A 1 17 ? 16.022 11.747 -12.142 1.0 33.14 ? 7 A 1 +ATOM 261 H HD12 . LEU A 1 17 ? 17.421 12.49 -12.014 1.0 33.14 ? 7 A 1 +ATOM 262 H HD13 . LEU A 1 17 ? 16.35 12.607 -10.847 1.0 33.14 ? 7 A 1 +ATOM 263 H HD21 . LEU A 1 17 ? 13.982 12.967 -12.503 1.0 33.75 ? 7 A 1 +ATOM 264 H HD22 . LEU A 1 17 ? 14.208 13.955 -11.28 1.0 33.75 ? 7 A 1 +ATOM 265 H HD23 . LEU A 1 17 ? 13.976 14.538 -12.739 1.0 33.75 ? 7 A 1 +ATOM 266 N N . GLU A 1 18 ? 18.064 17.866 -12.362 1.0 25.93 ? 8 A 1 +ATOM 267 C CA . GLU A 1 18 ? 18.543 19.097 -11.763 1.0 30.48 ? 8 A 1 +ATOM 268 C C . GLU A 1 18 ? 17.961 20.312 -12.474 1.0 26.17 ? 8 A 1 +ATOM 269 O O . GLU A 1 18 ? 17.606 21.303 -11.829 1.0 30.91 ? 8 A 1 +ATOM 270 C CB . GLU A 1 18 ? 20.073 19.122 -11.798 1.0 31.8 ? 8 A 1 +ATOM 271 C CG . GLU A 1 18 ? 20.671 20.503 -11.577 1.0 45.12 ? 8 A 1 +ATOM 272 C CD . GLU A 1 18 ? 22.035 20.454 -10.928 1.0 84.93 ? 8 A 1 +ATOM 273 O OE1 . GLU A 1 18 ? 22.991 19.98 -11.578 1.0 73.57 ? 8 A 1 +ATOM 274 O OE2 . GLU A 1 18 ? 22.143 20.881 -9.76 1.0 100.44 ? 8 A 1 +ATOM 275 H H . GLU A 1 18 ? 18.675 17.389 -12.734 1.0 31.12 ? 8 A 1 +ATOM 276 H HA . GLU A 1 18 ? 18.264 19.137 -10.836 1.0 36.57 ? 8 A 1 +ATOM 277 H HB2 . GLU A 1 18 ? 20.41 18.538 -11.1 1.0 38.16 ? 8 A 1 +ATOM 278 H HB3 . GLU A 1 18 ? 20.37 18.806 -12.666 1.0 38.16 ? 8 A 1 +ATOM 279 H HG2 . GLU A 1 18 ? 20.762 20.949 -12.434 1.0 54.15 ? 8 A 1 +ATOM 280 H HG3 . GLU A 1 18 ? 20.082 21.013 -10.998 1.0 54.15 ? 8 A 1 +ATOM 281 N N . LYS A 1 19 ? 17.866 20.252 -13.806 1.0 28.95 ? 9 A 1 +ATOM 282 C CA . LYS A 1 19 ? 17.277 21.358 -14.557 1.0 27.62 ? 9 A 1 +ATOM 283 C C . LYS A 1 19 ? 15.79 21.51 -14.235 1.0 23.18 ? 9 A 1 +ATOM 284 O O . LYS A 1 19 ? 15.299 22.615 -14.069 1.0 26.16 ? 9 A 1 +ATOM 285 C CB . LYS A 1 19 ? 17.534 21.173 -16.056 1.0 26.87 ? 9 A 1 +ATOM 286 C CG . LYS A 1 19 ? 19.016 21.383 -16.439 1.0 30.45 ? 9 A 1 +ATOM 287 C CD . LYS A 1 19 ? 19.242 21.46 -17.915 1.0 34.83 ? 9 A 1 +ATOM 288 C CE . LYS A 1 19 ? 20.715 21.78 -18.239 1.0 46.24 ? 9 A 1 +ATOM 289 H H . LYS A 1 19 ? 18.131 19.592 -14.289 1.0 34.74 ? 9 A 1 +ATOM 290 H HA . LYS A 1 19 ? 17.707 22.189 -14.303 1.0 33.14 ? 9 A 1 +ATOM 291 H HB2 . LYS A 1 19 ? 17.282 20.271 -16.31 1.0 32.24 ? 9 A 1 +ATOM 292 H HB3 . LYS A 1 19 ? 17.002 21.817 -16.549 1.0 32.24 ? 9 A 1 +ATOM 293 H HG2 . LYS A 1 19 ? 19.328 22.214 -16.047 1.0 36.53 ? 9 A 1 +ATOM 294 H HG3 . LYS A 1 19 ? 19.537 20.639 -16.098 1.0 36.53 ? 9 A 1 +ATOM 295 H HD2 . LYS A 1 19 ? 19.018 20.608 -18.32 1.0 41.79 ? 9 A 1 +ATOM 296 H HD3 . LYS A 1 19 ? 18.687 22.162 -18.289 1.0 41.79 ? 9 A 1 +ATOM 297 N N . LEU A 1 20 ? 15.082 20.398 -14.04 1.0 22.9 ? 10 A 1 +ATOM 298 C CA . LEU A 1 20 ? 13.655 20.477 -13.678 1.0 23.21 ? 10 A 1 +ATOM 299 C C . LEU A 1 20 ? 13.502 21.062 -12.281 1.0 23.54 ? 10 A 1 +ATOM 300 O O . LEU A 1 20 ? 12.613 21.888 -12.046 1.0 28.3 ? 10 A 1 +ATOM 301 C CB . LEU A 1 20 ? 13.004 19.094 -13.776 1.0 21.14 ? 10 A 1 +ATOM 302 C CG . LEU A 1 20 ? 12.88 18.566 -15.2 1.0 21.97 ? 10 A 1 +ATOM 303 C CD1 . LEU A 1 20 ? 12.384 17.125 -15.134 1.0 21.62 ? 10 A 1 +ATOM 304 C CD2 . LEU A 1 20 ? 11.98 19.399 -16.042 1.0 25.63 ? 10 A 1 +ATOM 305 H H . LEU A 1 20 ? 15.391 19.598 -14.108 1.0 27.48 ? 10 A 1 +ATOM 306 H HA . LEU A 1 20 ? 13.191 21.053 -14.306 1.0 27.85 ? 10 A 1 +ATOM 307 H HB2 . LEU A 1 20 ? 13.54 18.462 -13.271 1.0 25.37 ? 10 A 1 +ATOM 308 H HB3 . LEU A 1 20 ? 12.11 19.145 -13.4 1.0 25.37 ? 10 A 1 +ATOM 309 H HG . LEU A 1 20 ? 13.748 18.601 -15.632 1.0 26.37 ? 10 A 1 +ATOM 310 H HD11 . LEU A 1 20 ? 12.316 16.773 -16.035 1.0 25.94 ? 10 A 1 +ATOM 311 H HD12 . LEU A 1 20 ? 13.015 16.598 -14.619 1.0 25.94 ? 10 A 1 +ATOM 312 H HD13 . LEU A 1 20 ? 11.514 17.11 -14.706 1.0 25.94 ? 10 A 1 +ATOM 313 H HD21 . LEU A 1 20 ? 11.78 18.919 -16.861 1.0 30.75 ? 10 A 1 +ATOM 314 H HD22 . LEU A 1 20 ? 11.161 19.573 -15.552 1.0 30.75 ? 10 A 1 +ATOM 315 H HD23 . LEU A 1 20 ? 12.425 20.235 -16.249 1.0 30.75 ? 10 A 1 +ATOM 316 N N . GLU A 1 21 ? 14.406 20.681 -11.353 1.0 26.73 ? 11 A 1 +ATOM 317 C CA . GLU A 1 21 ? 14.338 21.168 -9.979 1.0 31.03 ? 11 A 1 +ATOM 318 C C . GLU A 1 21 ? 14.664 22.651 -9.907 1.0 33.81 ? 11 A 1 +ATOM 319 O O . GLU A 1 21 ? 14.092 23.367 -9.081 1.0 35.52 ? 11 A 1 +ATOM 320 C CB . GLU A 1 21 ? 15.285 20.356 -9.099 1.0 38.79 ? 11 A 1 +ATOM 321 C CG . GLU A 1 21 ? 14.8 20.202 -7.664 1.0 47.09 ? 11 A 1 +ATOM 322 C CD . GLU A 1 21 ? 15.923 19.896 -6.695 1.0 113.55 ? 11 A 1 +ATOM 323 O OE1 . GLU A 1 21 ? 16.0 20.565 -5.637 1.0 76.71 ? 11 A 1 +ATOM 324 O OE2 . GLU A 1 21 ? 16.733 18.992 -6.999 1.0 123.52 ? 11 A 1 +ATOM 325 H H . GLU A 1 21 ? 15.061 20.144 -11.502 1.0 32.08 ? 11 A 1 +ATOM 326 H HA . GLU A 1 21 ? 13.439 21.046 -9.635 1.0 37.24 ? 11 A 1 +ATOM 327 H HB2 . GLU A 1 21 ? 15.379 19.468 -9.478 1.0 46.55 ? 11 A 1 +ATOM 328 H HB3 . GLU A 1 21 ? 16.147 20.799 -9.075 1.0 46.55 ? 11 A 1 +ATOM 329 H HG2 . GLU A 1 21 ? 14.378 21.029 -7.382 1.0 56.51 ? 11 A 1 +ATOM 330 H HG3 . GLU A 1 21 ? 14.161 19.473 -7.622 1.0 56.51 ? 11 A 1 +ATOM 331 N N . ARG A 1 22 ? 15.541 23.129 -10.782 1.0 33.16 ? 12 A 1 +ATOM 332 C CA . ARG A 1 22 ? 15.856 24.545 -10.942 1.0 36.15 ? 12 A 1 +ATOM 333 C C . ARG A 1 22 ? 14.873 25.262 -11.858 1.0 31.75 ? 12 A 1 +ATOM 334 O O . ARG A 1 22 ? 15.021 26.47 -12.106 1.0 35.07 ? 12 A 1 +ATOM 335 C CB . ARG A 1 22 ? 17.29 24.717 -11.479 1.0 34.0 ? 12 A 1 +ATOM 336 C CG . ARG A 1 22 ? 18.347 24.519 -10.402 1.0 65.65 ? 12 A 1 +ATOM 337 C CD . ARG A 1 22 ? 19.745 24.786 -10.939 1.0 52.58 ? 12 A 1 +ATOM 338 N NE . ARG A 1 22 ? 19.949 24.136 -12.225 1.0 47.82 ? 12 A 1 +ATOM 339 C CZ . ARG A 1 22 ? 21.088 24.152 -12.904 1.0 90.47 ? 12 A 1 +ATOM 340 N NH1 . ARG A 1 22 ? 22.139 24.8 -12.422 1.0 100.68 ? 12 A 1 +ATOM 341 N NH2 . ARG A 1 22 ? 21.178 23.52 -14.067 1.0 62.28 ? 12 A 1 +ATOM 342 H H . ARG A 1 22 ? 15.99 22.63 -11.32 1.0 39.8 ? 12 A 1 +ATOM 343 H HA . ARG A 1 22 ? 15.82 24.971 -10.072 1.0 43.38 ? 12 A 1 +ATOM 344 H HB2 . ARG A 1 22 ? 17.447 24.063 -12.178 1.0 40.8 ? 12 A 1 +ATOM 345 H HB3 . ARG A 1 22 ? 17.389 25.614 -11.836 1.0 40.8 ? 12 A 1 +ATOM 346 H HG2 . ARG A 1 22 ? 18.179 25.132 -9.67 1.0 78.78 ? 12 A 1 +ATOM 347 H HG3 . ARG A 1 22 ? 18.313 23.603 -10.083 1.0 78.78 ? 12 A 1 +ATOM 348 H HD2 . ARG A 1 22 ? 19.868 25.741 -11.056 1.0 63.09 ? 12 A 1 +ATOM 349 H HD3 . ARG A 1 22 ? 20.402 24.441 -10.314 1.0 63.09 ? 12 A 1 +ATOM 350 H HE . ARG A 1 22 ? 19.285 23.711 -12.568 1.0 57.38 ? 12 A 1 +ATOM 351 H HH11 . ARG A 1 22 ? 22.082 25.21 -11.668 1.0 120.82 ? 12 A 1 +ATOM 352 H HH12 . ARG A 1 22 ? 22.877 24.811 -12.863 1.0 120.82 ? 12 A 1 +ATOM 353 H HH21 . ARG A 1 22 ? 20.497 23.099 -14.381 1.0 74.73 ? 12 A 1 +ATOM 354 H HH22 . ARG A 1 22 ? 21.917 23.531 -14.507 1.0 74.73 ? 12 A 1 +ATOM 355 N N . ARG A 1 23 ? 13.876 24.557 -12.364 1.0 28.77 ? 13 A 1 +ATOM 356 C CA . ARG A 1 23 ? 12.812 25.158 -13.155 1.0 30.18 ? 13 A 1 +ATOM 357 C C . ARG A 1 23 ? 13.321 25.773 -14.454 1.0 28.29 ? 13 A 1 +ATOM 358 O O . ARG A 1 23 ? 12.854 26.824 -14.893 1.0 34.96 ? 13 A 1 +ATOM 359 C CB . ARG A 1 23 ? 11.983 26.11 -12.295 1.0 29.75 ? 13 A 1 +ATOM 360 C CG . ARG A 1 23 ? 11.456 25.385 -11.033 1.0 31.48 ? 13 A 1 +ATOM 361 C CD . ARG A 1 23 ? 10.403 26.141 -10.278 1.0 36.0 ? 13 A 1 +ATOM 362 N NE . ARG A 1 23 ? 9.186 26.295 -11.055 1.0 31.74 ? 13 A 1 +ATOM 363 C CZ . ARG A 1 23 ? 8.266 25.348 -11.216 1.0 28.16 ? 13 A 1 +ATOM 364 N NH1 . ARG A 1 23 ? 8.419 24.148 -10.689 1.0 23.79 ? 13 A 1 +ATOM 365 N NH2 . ARG A 1 23 ? 7.189 25.656 -11.936 1.0 25.67 ? 13 A 1 +ATOM 366 H H . ARG A 1 23 ? 13.788 23.708 -12.261 1.0 34.52 ? 13 A 1 +ATOM 367 H HA . ARG A 1 23 ? 12.209 24.461 -13.457 1.0 36.22 ? 13 A 1 +ATOM 368 H HB2 . ARG A 1 23 ? 12.535 26.857 -12.015 1.0 35.71 ? 13 A 1 +ATOM 369 H HB3 . ARG A 1 23 ? 11.225 26.431 -12.807 1.0 35.71 ? 13 A 1 +ATOM 370 H HG2 . ARG A 1 23 ? 11.071 24.536 -11.301 1.0 37.78 ? 13 A 1 +ATOM 371 H HG3 . ARG A 1 23 ? 12.199 25.235 -10.428 1.0 37.78 ? 13 A 1 +ATOM 372 H HD2 . ARG A 1 23 ? 10.185 25.66 -9.464 1.0 43.2 ? 13 A 1 +ATOM 373 H HD3 . ARG A 1 23 ? 10.738 27.025 -10.061 1.0 43.2 ? 13 A 1 +ATOM 374 H HE . ARG A 1 23 ? 9.05 27.052 -11.438 1.0 38.08 ? 13 A 1 +ATOM 375 H HH11 . ARG A 1 23 ? 9.124 23.966 -10.232 1.0 28.54 ? 13 A 1 +ATOM 376 H HH12 . ARG A 1 23 ? 7.814 23.548 -10.804 1.0 28.54 ? 13 A 1 +ATOM 377 H HH21 . ARG A 1 23 ? 7.109 26.442 -12.276 1.0 30.8 ? 13 A 1 +ATOM 378 H HH22 . ARG A 1 23 ? 6.573 25.068 -12.061 1.0 30.8 ? 13 A 1 +ATOM 379 N N . GLU A 1 24 ? 14.301 25.103 -15.074 1.0 29.75 ? 14 A 1 +ATOM 380 C CA . GLU A 1 24 ? 14.852 25.506 -16.372 1.0 30.25 ? 14 A 1 +ATOM 381 C C . GLU A 1 24 ? 14.151 24.672 -17.438 1.0 37.12 ? 14 A 1 +ATOM 382 O O . GLU A 1 24 ? 14.655 23.64 -17.883 1.0 36.14 ? 14 A 1 +ATOM 383 C CB . GLU A 1 24 ? 16.361 25.288 -16.372 1.0 37.31 ? 14 A 1 +ATOM 384 C CG . GLU A 1 24 ? 17.069 26.077 -15.286 1.0 55.06 ? 14 A 1 +ATOM 385 C CD . GLU A 1 24 ? 18.576 25.898 -15.313 1.0 75.5 ? 14 A 1 +ATOM 386 O OE1 . GLU A 1 24 ? 19.22 26.14 -14.27 1.0 59.69 ? 14 A 1 +ATOM 387 O OE2 . GLU A 1 24 ? 19.11 25.52 -16.378 1.0 62.03 ? 14 A 1 +ATOM 388 H H . GLU A 1 24 ? 14.671 24.395 -14.754 1.0 35.7 ? 14 A 1 +ATOM 389 H HA . GLU A 1 24 ? 14.668 26.442 -16.55 1.0 36.3 ? 14 A 1 +ATOM 390 H HB2 . GLU A 1 24 ? 16.543 24.347 -16.227 1.0 44.77 ? 14 A 1 +ATOM 391 H HB3 . GLU A 1 24 ? 16.72 25.567 -17.228 1.0 44.77 ? 14 A 1 +ATOM 392 H HG2 . GLU A 1 24 ? 16.878 27.02 -15.405 1.0 66.07 ? 14 A 1 +ATOM 393 H HG3 . GLU A 1 24 ? 16.748 25.78 -14.42 1.0 66.07 ? 14 A 1 +ATOM 394 N N . PHE A 1 25 ? 12.984 25.149 -17.871 1.0 29.91 ? 15 A 1 +ATOM 395 C CA . PHE A 1 25 ? 12.045 24.338 -18.643 1.0 31.37 ? 15 A 1 +ATOM 396 C C . PHE A 1 25 ? 12.225 24.54 -20.148 1.0 43.89 ? 15 A 1 +ATOM 397 O O . PHE A 1 25 ? 11.305 24.878 -20.885 1.0 37.04 ? 15 A 1 +ATOM 398 C CB . PHE A 1 25 ? 10.62 24.682 -18.23 1.0 32.95 ? 15 A 1 +ATOM 399 C CG . PHE A 1 25 ? 10.313 24.398 -16.801 1.0 27.88 ? 15 A 1 +ATOM 400 C CD1 . PHE A 1 25 ? 10.635 23.183 -16.237 1.0 25.35 ? 15 A 1 +ATOM 401 C CD2 . PHE A 1 25 ? 9.696 25.361 -16.03 1.0 26.83 ? 15 A 1 +ATOM 402 C CE1 . PHE A 1 25 ? 10.312 22.924 -14.904 1.0 24.53 ? 15 A 1 +ATOM 403 C CE2 . PHE A 1 25 ? 9.368 25.099 -14.719 1.0 28.82 ? 15 A 1 +ATOM 404 C CZ . PHE A 1 25 ? 9.674 23.895 -14.166 1.0 26.67 ? 15 A 1 +ATOM 405 H H . PHE A 1 25 ? 12.709 25.951 -17.727 1.0 35.89 ? 15 A 1 +ATOM 406 H HA . PHE A 1 25 ? 12.226 23.405 -18.449 1.0 37.64 ? 15 A 1 +ATOM 407 H HB2 . PHE A 1 25 ? 10.474 25.629 -18.38 1.0 39.54 ? 15 A 1 +ATOM 408 H HB3 . PHE A 1 25 ? 10.006 24.162 -18.772 1.0 39.54 ? 15 A 1 +ATOM 409 H HD1 . PHE A 1 25 ? 11.068 22.535 -16.745 1.0 30.42 ? 15 A 1 +ATOM 410 H HD2 . PHE A 1 25 ? 9.501 26.192 -16.399 1.0 32.19 ? 15 A 1 +ATOM 411 H HE1 . PHE A 1 25 ? 10.526 22.105 -14.518 1.0 29.43 ? 15 A 1 +ATOM 412 H HE2 . PHE A 1 25 ? 8.937 25.747 -14.21 1.0 34.59 ? 15 A 1 +ATOM 413 H HZ . PHE A 1 25 ? 9.449 23.725 -13.28 1.0 32.0 ? 15 A 1 +ATOM 414 N N . THR A 1 26 ? 13.431 24.294 -20.616 1.0 30.38 ? 16 A 1 +ATOM 415 C CA . THR A 1 26 ? 13.648 24.448 -22.042 1.0 32.36 ? 16 A 1 +ATOM 416 C C . THR A 1 26 ? 13.02 23.277 -22.796 1.0 33.72 ? 16 A 1 +ATOM 417 O O . THR A 1 26 ? 12.801 22.19 -22.266 1.0 28.55 ? 16 A 1 +ATOM 418 C CB . THR A 1 26 ? 15.145 24.465 -22.341 1.0 34.49 ? 16 A 1 +ATOM 419 O OG1 . THR A 1 26 ? 15.694 23.186 -22.035 1.0 31.37 ? 16 A 1 +ATOM 420 C CG2 . THR A 1 26 ? 15.864 25.552 -21.51 1.0 32.53 ? 16 A 1 +ATOM 421 H H . THR A 1 26 ? 14.111 24.047 -20.152 1.0 36.46 ? 16 A 1 +ATOM 422 H HA . THR A 1 26 ? 13.249 25.279 -22.343 1.0 38.83 ? 16 A 1 +ATOM 423 H HB . THR A 1 26 ? 15.288 24.668 -23.279 1.0 41.39 ? 16 A 1 +ATOM 424 H HG1 . THR A 1 26 ? 16.518 23.181 -22.198 1.0 37.64 ? 16 A 1 +ATOM 425 H HG21 . THR A 1 26 ? 16.796 25.608 -21.772 1.0 39.03 ? 16 A 1 +ATOM 426 H HG22 . THR A 1 26 ? 15.443 26.414 -21.657 1.0 39.03 ? 16 A 1 +ATOM 427 H HG23 . THR A 1 26 ? 15.815 25.335 -20.566 1.0 39.03 ? 16 A 1 +ATOM 428 N N . ARG A 1 27 ? 12.747 23.508 -24.068 1.0 31.58 ? 17 A 1 +ATOM 429 C CA A ARG A 1 27 ? 12.212 22.459 -24.922 0.49 27.64 ? 17 A 1 +ATOM 430 C CA B ARG A 1 27 ? 12.204 22.452 -24.909 0.51 29.49 ? 17 A 1 +ATOM 431 C C . ARG A 1 27 ? 13.095 21.215 -24.903 1.0 27.78 ? 17 A 1 +ATOM 432 O O . ARG A 1 27 ? 12.594 20.092 -24.812 1.0 26.63 ? 17 A 1 +ATOM 433 C CB A ARG A 1 27 ? 12.067 23.001 -26.337 0.49 33.87 ? 17 A 1 +ATOM 434 C CB B ARG A 1 27 ? 12.019 22.98 -26.32 0.51 28.14 ? 17 A 1 +ATOM 435 C CG A ARG A 1 27 ? 11.523 22.013 -27.301 0.49 35.32 ? 17 A 1 +ATOM 436 C CG B ARG A 1 27 ? 11.441 22.012 -27.306 0.51 33.9 ? 17 A 1 +ATOM 437 C CD A ARG A 1 27 ? 11.298 22.615 -28.673 0.49 30.48 ? 17 A 1 +ATOM 438 C CD B ARG A 1 27 ? 11.31 22.699 -28.66 0.51 29.86 ? 17 A 1 +ATOM 439 N NE A ARG A 1 27 ? 10.367 21.753 -29.392 0.49 40.81 ? 17 A 1 +ATOM 440 N NE B ARG A 1 27 ? 10.668 24.012 -28.511 0.51 40.51 ? 17 A 1 +ATOM 441 C CZ A ARG A 1 27 ? 9.056 21.753 -29.202 0.49 27.42 ? 17 A 1 +ATOM 442 C CZ B ARG A 1 27 ? 9.359 24.232 -28.536 0.51 37.42 ? 17 A 1 +ATOM 443 N NH1 A ARG A 1 27 ? 8.491 22.589 -28.344 0.49 50.28 ? 17 A 1 +ATOM 444 N NH1 B ARG A 1 27 ? 8.51 23.234 -28.701 0.51 28.71 ? 17 A 1 +ATOM 445 N NH2 A ARG A 1 27 ? 8.291 20.919 -29.895 0.49 50.98 ? 17 A 1 +ATOM 446 N NH2 B ARG A 1 27 ? 8.888 25.461 -28.386 0.51 51.63 ? 17 A 1 +ATOM 447 H H A ARG A 1 27 ? 12.862 24.263 -24.464 0.49 37.9 ? 17 A 1 +ATOM 448 H H B ARG A 1 27 ? 12.865 24.26 -24.468 0.51 37.9 ? 17 A 1 +ATOM 449 H HA A ARG A 1 27 ? 11.336 22.193 -24.6 0.49 33.17 ? 17 A 1 +ATOM 450 H HA B ARG A 1 27 ? 11.337 22.183 -24.566 0.51 35.38 ? 17 A 1 +ATOM 451 H HB2 A ARG A 1 27 ? 11.465 23.761 -26.319 0.49 40.64 ? 17 A 1 +ATOM 452 H HB2 B ARG A 1 27 ? 11.422 23.744 -26.283 0.51 33.76 ? 17 A 1 +ATOM 453 H HB3 A ARG A 1 27 ? 12.941 23.277 -26.656 0.49 40.64 ? 17 A 1 +ATOM 454 H HB3 B ARG A 1 27 ? 12.886 23.253 -26.659 0.51 33.76 ? 17 A 1 +ATOM 455 H HG2 A ARG A 1 27 ? 12.151 21.279 -27.393 0.49 42.39 ? 17 A 1 +ATOM 456 H HG2 B ARG A 1 27 ? 12.027 21.245 -27.398 0.51 40.69 ? 17 A 1 +ATOM 457 H HG3 A ARG A 1 27 ? 10.673 21.682 -26.973 0.49 42.39 ? 17 A 1 +ATOM 458 H HG3 B ARG A 1 27 ? 10.562 21.726 -27.012 0.51 40.69 ? 17 A 1 +ATOM 459 H HD2 A ARG A 1 27 ? 10.914 23.502 -28.591 0.49 36.58 ? 17 A 1 +ATOM 460 H HD2 B ARG A 1 27 ? 12.191 22.828 -29.045 0.51 35.83 ? 17 A 1 +ATOM 461 H HD3 A ARG A 1 27 ? 12.135 22.659 -29.161 0.49 36.58 ? 17 A 1 +ATOM 462 H HD3 B ARG A 1 27 ? 10.767 22.154 -29.25 0.51 35.83 ? 17 A 1 +ATOM 463 H HE A ARG A 1 27 ? 10.689 21.212 -29.977 0.49 48.98 ? 17 A 1 +ATOM 464 H HE B ARG A 1 27 ? 11.181 24.693 -28.398 0.51 48.61 ? 17 A 1 +ATOM 465 H HH11 A ARG A 1 27 ? 8.977 23.144 -27.901 0.49 60.33 ? 17 A 1 +ATOM 466 H HH11 B ARG A 1 27 ? 8.803 22.431 -28.793 0.51 34.45 ? 17 A 1 +ATOM 467 H HH12 A ARG A 1 27 ? 7.639 22.578 -28.231 0.49 60.33 ? 17 A 1 +ATOM 468 H HH12 B ARG A 1 27 ? 7.664 23.387 -28.716 0.51 34.45 ? 17 A 1 +ATOM 469 H HH21 A ARG A 1 27 ? 8.646 20.382 -30.465 0.49 61.18 ? 17 A 1 +ATOM 470 H HH21 B ARG A 1 27 ? 9.43 26.119 -28.272 0.51 61.96 ? 17 A 1 +ATOM 471 H HH22 A ARG A 1 27 ? 7.439 20.916 -29.774 0.49 61.18 ? 17 A 1 +ATOM 472 H HH22 B ARG A 1 27 ? 8.039 25.601 -28.403 0.51 61.96 ? 17 A 1 +ATOM 473 N N . GLU A 1 28 ? 14.423 21.394 -24.97 1.0 25.58 ? 18 A 1 +ATOM 474 C CA . GLU A 1 28 ? 15.316 20.246 -24.962 1.0 23.71 ? 18 A 1 +ATOM 475 C C . GLU A 1 28 ? 15.21 19.458 -23.658 1.0 24.71 ? 18 A 1 +ATOM 476 O O . GLU A 1 28 ? 15.336 18.228 -23.664 1.0 23.24 ? 18 A 1 +ATOM 477 C CB . GLU A 1 28 ? 16.765 20.74 -25.202 1.0 31.32 ? 18 A 1 +ATOM 478 C CG . GLU A 1 28 ? 17.836 20.084 -24.469 1.0 43.13 ? 18 A 1 +ATOM 479 C CD . GLU A 1 28 ? 19.199 20.645 -24.833 1.0 91.85 ? 18 A 1 +ATOM 480 O OE1 . GLU A 1 28 ? 19.575 20.56 -26.019 1.0 50.29 ? 18 A 1 +ATOM 481 O OE2 . GLU A 1 28 ? 19.878 21.202 -23.944 1.0 38.35 ? 18 A 1 +ATOM 482 H H . GLU A 1 28 ? 14.817 22.156 -25.02 1.0 30.69 ? 18 A 1 +ATOM 483 H HA . GLU A 1 28 ? 15.072 19.638 -25.677 1.0 28.45 ? 18 A 1 +ATOM 484 H HB2 . GLU A 1 28 ? 16.963 20.628 -26.145 1.0 37.58 ? 18 A 1 +ATOM 485 H HB3 . GLU A 1 28 ? 16.8 21.68 -24.965 1.0 37.58 ? 18 A 1 +ATOM 486 H HG2 . GLU A 1 28 ? 17.698 20.215 -23.518 1.0 51.75 ? 18 A 1 +ATOM 487 H HG3 . GLU A 1 28 ? 17.832 19.137 -24.678 1.0 51.75 ? 18 A 1 +ATOM 488 N N . VAL A 1 29 ? 15.029 20.147 -22.542 1.0 23.29 ? 19 A 1 +ATOM 489 C CA . VAL A 1 29 ? 14.929 19.465 -21.259 1.0 20.86 ? 19 A 1 +ATOM 490 C C . VAL A 1 29 ? 13.63 18.67 -21.21 1.0 21.02 ? 19 A 1 +ATOM 491 O O . VAL A 1 29 ? 13.625 17.52 -20.758 1.0 20.8 ? 19 A 1 +ATOM 492 C CB . VAL A 1 29 ? 14.993 20.484 -20.108 1.0 25.38 ? 19 A 1 +ATOM 493 C CG1 . VAL A 1 29 ? 14.536 19.872 -18.786 1.0 27.16 ? 19 A 1 +ATOM 494 C CG2 . VAL A 1 29 ? 16.42 21.008 -19.937 1.0 29.05 ? 19 A 1 +ATOM 495 H H . VAL A 1 29 ? 14.962 21.003 -22.498 1.0 27.95 ? 19 A 1 +ATOM 496 H HA . VAL A 1 29 ? 15.678 18.856 -21.164 1.0 25.03 ? 19 A 1 +ATOM 497 H HB . VAL A 1 29 ? 14.397 21.215 -20.335 1.0 30.46 ? 19 A 1 +ATOM 498 H HG11 . VAL A 1 29 ? 14.836 20.436 -18.057 1.0 32.59 ? 19 A 1 +ATOM 499 H HG12 . VAL A 1 29 ? 13.567 19.815 -18.783 1.0 32.59 ? 19 A 1 +ATOM 500 H HG13 . VAL A 1 29 ? 14.92 18.985 -18.699 1.0 32.59 ? 19 A 1 +ATOM 501 H HG21 . VAL A 1 29 ? 16.417 21.724 -19.283 1.0 34.86 ? 19 A 1 +ATOM 502 H HG22 . VAL A 1 29 ? 16.988 20.283 -19.631 1.0 34.86 ? 19 A 1 +ATOM 503 H HG23 . VAL A 1 29 ? 16.739 21.34 -20.79 1.0 34.86 ? 19 A 1 +ATOM 504 N N . LEU A 1 30 ? 12.518 19.275 -21.626 1.0 20.54 ? 20 A 1 +ATOM 505 C CA . LEU A 1 30 ? 11.23 18.564 -21.591 1.0 18.48 ? 20 A 1 +ATOM 506 C C . LEU A 1 30 ? 11.252 17.389 -22.535 1.0 20.92 ? 20 A 1 +ATOM 507 O O . LEU A 1 30 ? 10.788 16.299 -22.191 1.0 20.51 ? 20 A 1 +ATOM 508 C CB . LEU A 1 30 ? 10.074 19.497 -21.916 1.0 21.21 ? 20 A 1 +ATOM 509 C CG . LEU A 1 30 ? 9.919 20.644 -20.896 1.0 22.17 ? 20 A 1 +ATOM 510 C CD1 . LEU A 1 30 ? 8.867 21.616 -21.385 1.0 25.03 ? 20 A 1 +ATOM 511 C CD2 . LEU A 1 30 ? 9.601 20.17 -19.521 1.0 21.75 ? 20 A 1 +ATOM 512 H H . LEU A 1 30 ? 12.476 20.079 -21.927 1.0 24.65 ? 20 A 1 +ATOM 513 H HA . LEU A 1 30 ? 11.081 18.239 -20.689 1.0 22.17 ? 20 A 1 +ATOM 514 H HB2 . LEU A 1 30 ? 10.224 19.891 -22.789 1.0 25.45 ? 20 A 1 +ATOM 515 H HB3 . LEU A 1 30 ? 9.249 18.986 -21.92 1.0 25.45 ? 20 A 1 +ATOM 516 H HG . LEU A 1 30 ? 10.774 21.096 -20.826 1.0 26.61 ? 20 A 1 +ATOM 517 H HD11 . LEU A 1 30 ? 8.789 22.343 -20.748 1.0 30.04 ? 20 A 1 +ATOM 518 H HD12 . LEU A 1 30 ? 9.135 21.962 -22.251 1.0 30.04 ? 20 A 1 +ATOM 519 H HD13 . LEU A 1 30 ? 8.019 21.152 -21.462 1.0 30.04 ? 20 A 1 +ATOM 520 H HD21 . LEU A 1 30 ? 9.372 20.934 -18.969 1.0 26.1 ? 20 A 1 +ATOM 521 H HD22 . LEU A 1 30 ? 8.851 19.557 -19.564 1.0 26.1 ? 20 A 1 +ATOM 522 H HD23 . LEU A 1 30 ? 10.377 19.718 -19.156 1.0 26.1 ? 20 A 1 +ATOM 523 N N . LYS A 1 31 ? 11.822 17.568 -23.741 1.0 20.08 ? 21 A 1 +ATOM 524 C CA . LYS A 1 31 ? 11.891 16.469 -24.697 1.0 22.75 ? 21 A 1 +ATOM 525 C C . LYS A 1 31 ? 12.703 15.321 -24.114 1.0 20.73 ? 21 A 1 +ATOM 526 O O . LYS A 1 31 ? 12.33 14.153 -24.259 1.0 21.91 ? 21 A 1 +ATOM 527 C CB . LYS A 1 31 ? 12.492 16.945 -26.007 1.0 24.5 ? 21 A 1 +ATOM 528 C CG . LYS A 1 31 ? 12.534 15.815 -27.054 1.0 24.43 ? 21 A 1 +ATOM 529 C CD . LYS A 1 31 ? 12.945 16.317 -28.405 1.0 29.93 ? 21 A 1 +ATOM 530 C CE . LYS A 1 31 ? 12.823 15.211 -29.456 1.0 39.81 ? 21 A 1 +ATOM 531 N NZ . LYS A 1 31 ? 13.085 15.723 -30.824 1.0 67.35 ? 21 A 1 +ATOM 532 H H . LYS A 1 31 ? 12.167 18.305 -24.018 1.0 24.09 ? 21 A 1 +ATOM 533 H HA . LYS A 1 31 ? 10.995 16.151 -24.89 1.0 27.3 ? 21 A 1 +ATOM 534 H HB2 . LYS A 1 31 ? 11.954 17.671 -26.361 1.0 29.41 ? 21 A 1 +ATOM 535 H HB3 . LYS A 1 31 ? 13.4 17.251 -25.85 1.0 29.41 ? 21 A 1 +ATOM 536 H HG2 . LYS A 1 31 ? 13.175 15.143 -26.773 1.0 29.31 ? 21 A 1 +ATOM 537 H HG3 . LYS A 1 31 ? 11.652 15.42 -27.133 1.0 29.31 ? 21 A 1 +ATOM 538 H HD2 . LYS A 1 31 ? 12.369 17.053 -28.665 1.0 35.92 ? 21 A 1 +ATOM 539 H HD3 . LYS A 1 31 ? 13.868 16.612 -28.374 1.0 35.92 ? 21 A 1 +ATOM 540 H HE2 . LYS A 1 31 ? 13.47 14.513 -29.264 1.0 47.77 ? 21 A 1 +ATOM 541 H HE3 . LYS A 1 31 ? 11.925 14.845 -29.435 1.0 47.77 ? 21 A 1 +ATOM 542 H HZ1 . LYS A 1 31 ? 13.907 16.061 -30.87 1.0 80.82 ? 21 A 1 +ATOM 543 H HZ2 . LYS A 1 31 ? 13.011 15.062 -31.416 1.0 80.82 ? 21 A 1 +ATOM 544 H HZ3 . LYS A 1 31 ? 12.498 16.36 -31.028 1.0 80.82 ? 21 A 1 +ATOM 545 N N . GLU A 1 32 ? 13.846 15.627 -23.534 1.0 22.47 ? 22 A 1 +ATOM 546 C CA . GLU A 1 32 ? 14.656 14.555 -22.993 1.0 21.67 ? 22 A 1 +ATOM 547 C C . GLU A 1 32 ? 13.976 13.863 -21.827 1.0 23.52 ? 22 A 1 +ATOM 548 O O . GLU A 1 32 ? 14.02 12.625 -21.727 1.0 22.53 ? 22 A 1 +ATOM 549 C CB . GLU A 1 32 ? 16.036 15.092 -22.632 1.0 25.44 ? 22 A 1 +ATOM 550 C CG . GLU A 1 32 ? 17.048 14.007 -22.224 1.0 41.87 ? 22 A 1 +ATOM 551 C CD . GLU A 1 32 ? 17.422 13.041 -23.35 1.0 55.28 ? 22 A 1 +ATOM 552 O OE1 . GLU A 1 32 ? 17.113 13.313 -24.532 1.0 43.92 ? 22 A 1 +ATOM 553 O OE2 . GLU A 1 32 ? 18.03 11.993 -23.047 1.0 55.49 ? 22 A 1 +ATOM 554 H H . GLU A 1 32 ? 14.166 16.42 -23.442 1.0 26.96 ? 22 A 1 +ATOM 555 H HA . GLU A 1 32 ? 14.782 13.872 -23.671 1.0 26.0 ? 22 A 1 +ATOM 556 H HB2 . GLU A 1 32 ? 16.399 15.558 -23.401 1.0 30.53 ? 22 A 1 +ATOM 557 H HB3 . GLU A 1 32 ? 15.945 15.704 -21.885 1.0 30.53 ? 22 A 1 +ATOM 558 H HG2 . GLU A 1 32 ? 17.864 14.439 -21.926 1.0 50.25 ? 22 A 1 +ATOM 559 H HG3 . GLU A 1 32 ? 16.668 13.483 -21.502 1.0 50.25 ? 22 A 1 +ATOM 560 N N . ALA A 1 33 ? 13.316 14.619 -20.952 1.0 21.62 ? 23 A 1 +ATOM 561 C CA . ALA A 1 33 ? 12.579 13.96 -19.868 1.0 20.66 ? 23 A 1 +ATOM 562 C C . ALA A 1 33 ? 11.541 13.001 -20.415 1.0 20.32 ? 23 A 1 +ATOM 563 O O . ALA A 1 33 ? 11.352 11.9 -19.872 1.0 20.89 ? 23 A 1 +ATOM 564 C CB . ALA A 1 33 ? 11.913 15.015 -18.992 1.0 20.29 ? 23 A 1 +ATOM 565 H H . ALA A 1 33 ? 13.279 15.478 -20.959 1.0 25.94 ? 23 A 1 +ATOM 566 H HA . ALA A 1 33 ? 13.201 13.452 -19.324 1.0 24.8 ? 23 A 1 +ATOM 567 H HB1 . ALA A 1 33 ? 11.439 14.573 -18.271 1.0 24.34 ? 23 A 1 +ATOM 568 H HB2 . ALA A 1 33 ? 12.596 15.601 -18.629 1.0 24.34 ? 23 A 1 +ATOM 569 H HB3 . ALA A 1 33 ? 11.291 15.528 -19.532 1.0 24.34 ? 23 A 1 +ATOM 570 N N . LEU A 1 34 ? 10.823 13.385 -21.472 1.0 19.65 ? 24 A 1 +ATOM 571 C CA . LEU A 1 34 ? 9.819 12.504 -22.027 1.0 19.87 ? 24 A 1 +ATOM 572 C C . LEU A 1 34 ? 10.444 11.334 -22.764 1.0 23.35 ? 24 A 1 +ATOM 573 O O . LEU A 1 34 ? 9.808 10.279 -22.85 1.0 30.44 ? 24 A 1 +ATOM 574 C CB . LEU A 1 34 ? 8.904 13.267 -22.973 1.0 20.15 ? 24 A 1 +ATOM 575 C CG . LEU A 1 34 ? 7.957 14.222 -22.258 1.0 19.98 ? 24 A 1 +ATOM 576 C CD1 . LEU A 1 34 ? 7.296 15.094 -23.31 1.0 20.6 ? 24 A 1 +ATOM 577 C CD2 . LEU A 1 34 ? 6.885 13.497 -21.458 1.0 20.32 ? 24 A 1 +ATOM 578 H H . LEU A 1 34 ? 10.902 14.141 -21.874 1.0 23.58 ? 24 A 1 +ATOM 579 H HA . LEU A 1 34 ? 9.274 12.159 -21.302 1.0 23.84 ? 24 A 1 +ATOM 580 H HB2 . LEU A 1 34 ? 9.449 13.788 -23.583 1.0 24.18 ? 24 A 1 +ATOM 581 H HB3 . LEU A 1 34 ? 8.366 12.63 -23.469 1.0 24.18 ? 24 A 1 +ATOM 582 H HG . LEU A 1 34 ? 8.464 14.752 -21.624 1.0 23.98 ? 24 A 1 +ATOM 583 H HD11 . LEU A 1 34 ? 6.679 15.702 -22.874 1.0 24.72 ? 24 A 1 +ATOM 584 H HD12 . LEU A 1 34 ? 7.981 15.597 -23.779 1.0 24.72 ? 24 A 1 +ATOM 585 H HD13 . LEU A 1 34 ? 6.817 14.527 -23.934 1.0 24.72 ? 24 A 1 +ATOM 586 H HD21 . LEU A 1 34 ? 6.247 14.147 -21.123 1.0 24.38 ? 24 A 1 +ATOM 587 H HD22 . LEU A 1 34 ? 6.437 12.859 -22.035 1.0 24.38 ? 24 A 1 +ATOM 588 H HD23 . LEU A 1 34 ? 7.304 13.033 -20.716 1.0 24.38 ? 24 A 1 +ATOM 589 N N . SER A 1 35 ? 11.673 11.482 -23.239 1.0 21.38 ? 25 A 1 +ATOM 590 C CA . SER A 1 35 ? 12.267 10.472 -24.104 1.0 24.3 ? 25 A 1 +ATOM 591 C C . SER A 1 35 ? 13.031 9.396 -23.341 1.0 26.21 ? 25 A 1 +ATOM 592 O O . SER A 1 35 ? 13.146 8.265 -23.842 1.0 27.79 ? 25 A 1 +ATOM 593 C CB . SER A 1 35 ? 13.242 11.171 -25.046 1.0 24.27 ? 25 A 1 +ATOM 594 O OG . SER A 1 35 ? 12.503 12.033 -25.919 1.0 27.22 ? 25 A 1 +ATOM 595 H H . SER A 1 35 ? 12.182 12.156 -23.076 1.0 25.65 ? 25 A 1 +ATOM 596 H HA . SER A 1 35 ? 11.566 10.031 -24.608 1.0 29.16 ? 25 A 1 +ATOM 597 H HB2 . SER A 1 35 ? 13.872 11.697 -24.528 1.0 29.12 ? 25 A 1 +ATOM 598 H HB3 . SER A 1 35 ? 13.717 10.507 -25.571 1.0 29.12 ? 25 A 1 +ATOM 599 H HG . SER A 1 35 ? 12.079 12.602 -25.47 1.0 32.66 ? 25 A 1 +ATOM 600 N N . ILE A 1 36 ? 13.557 9.721 -22.157 1.0 23.3 ? 26 A 1 +ATOM 601 C CA . ILE A 1 36 ? 14.34 8.76 -21.369 1.0 22.3 ? 26 A 1 +ATOM 602 C C . ILE A 1 36 ? 13.437 7.616 -20.956 1.0 23.52 ? 26 A 1 +ATOM 603 O O . ILE A 1 36 ? 12.35 7.834 -20.39 1.0 26.66 ? 26 A 1 +ATOM 604 C CB . ILE A 1 36 ? 14.943 9.47 -20.155 1.0 22.82 ? 26 A 1 +ATOM 605 C CG1 . ILE A 1 36 ? 16.013 10.435 -20.584 1.0 23.34 ? 26 A 1 +ATOM 606 C CG2 . ILE A 1 36 ? 15.45 8.441 -19.128 1.0 26.19 ? 26 A 1 +ATOM 607 C CD1 . ILE A 1 36 ? 16.522 11.393 -19.509 1.0 31.36 ? 26 A 1 +ATOM 608 H H . ILE A 1 36 ? 13.476 10.492 -21.785 1.0 27.96 ? 26 A 1 +ATOM 609 H HA . ILE A 1 36 ? 15.063 8.399 -21.906 1.0 26.76 ? 26 A 1 +ATOM 610 H HB . ILE A 1 36 ? 14.252 9.993 -19.719 1.0 27.39 ? 26 A 1 +ATOM 611 H HG12 . ILE A 1 36 ? 16.775 9.922 -20.895 1.0 28.01 ? 26 A 1 +ATOM 612 H HG13 . ILE A 1 36 ? 15.66 10.977 -21.307 1.0 28.01 ? 26 A 1 +ATOM 613 H HG21 . ILE A 1 36 ? 16.052 8.882 -18.509 1.0 31.43 ? 26 A 1 +ATOM 614 H HG22 . ILE A 1 36 ? 14.691 8.074 -18.648 1.0 31.43 ? 26 A 1 +ATOM 615 H HG23 . ILE A 1 36 ? 15.919 7.732 -19.597 1.0 31.43 ? 26 A 1 +ATOM 616 H HD11 . ILE A 1 36 ? 17.164 12.001 -19.907 1.0 37.63 ? 26 A 1 +ATOM 617 H HD12 . ILE A 1 36 ? 15.772 11.892 -19.15 1.0 37.63 ? 26 A 1 +ATOM 618 H HD13 . ILE A 1 36 ? 16.946 10.88 -18.803 1.0 37.63 ? 26 A 1 +ATOM 619 N N A ASN A 1 37 ? 13.88 6.367 -21.136 0.48 19.63 ? 27 A 1 +ATOM 620 N N B ASN A 1 37 ? 13.864 6.4 -21.264 0.52 25.48 ? 27 A 1 +ATOM 621 C CA A ASN A 1 37 ? 13.048 5.191 -20.839 0.48 28.91 ? 27 A 1 +ATOM 622 C CA B ASN A 1 37 ? 13.17 5.184 -20.883 0.52 18.22 ? 27 A 1 +ATOM 623 C C A ASN A 1 37 ? 13.487 4.391 -19.593 0.48 20.77 ? 27 A 1 +ATOM 624 C C B ASN A 1 37 ? 14.046 4.453 -19.867 0.52 21.31 ? 27 A 1 +ATOM 625 O O A ASN A 1 37 ? 13.165 3.22 -19.444 0.48 31.28 ? 27 A 1 +ATOM 626 O O B ASN A 1 37 ? 14.678 3.445 -20.169 0.52 23.33 ? 27 A 1 +ATOM 627 C CB A ASN A 1 37 ? 12.936 4.27 -22.058 0.48 29.13 ? 27 A 1 +ATOM 628 C CB B ASN A 1 37 ? 12.89 4.307 -22.124 0.52 29.3 ? 27 A 1 +ATOM 629 C CG A ASN A 1 37 ? 11.99 4.808 -23.112 0.48 33.75 ? 27 A 1 +ATOM 630 C CG B ASN A 1 37 ? 11.789 3.263 -21.893 0.52 38.43 ? 27 A 1 +ATOM 631 O OD1 A ASN A 1 37 ? 11.018 5.502 -22.802 0.48 67.44 ? 27 A 1 +ATOM 632 O OD1 B ASN A 1 37 ? 11.227 3.135 -20.802 0.52 30.82 ? 27 A 1 +ATOM 633 N ND2 A ASN A 1 37 ? 12.276 4.496 -24.369 0.48 38.3 ? 27 A 1 +ATOM 634 N ND2 B ASN A 1 37 ? 11.466 2.521 -22.944 0.52 32.91 ? 27 A 1 +ATOM 635 H H A ASN A 1 37 ? 14.664 6.173 -21.431 0.48 23.55 ? 27 A 1 +ATOM 636 H H B ASN A 1 37 ? 14.582 6.25 -21.712 0.52 30.57 ? 27 A 1 +ATOM 637 H HA A ASN A 1 37 ? 12.164 5.533 -20.633 0.48 34.69 ? 27 A 1 +ATOM 638 H HA B ASN A 1 37 ? 12.316 5.403 -20.479 0.52 21.86 ? 27 A 1 +ATOM 639 H HB2 A ASN A 1 37 ? 13.812 4.173 -22.462 0.48 34.95 ? 27 A 1 +ATOM 640 H HB2 B ASN A 1 37 ? 12.609 4.879 -22.855 0.52 35.16 ? 27 A 1 +ATOM 641 H HB3 A ASN A 1 37 ? 12.605 3.405 -21.771 0.48 34.95 ? 27 A 1 +ATOM 642 H HB3 B ASN A 1 37 ? 13.702 3.834 -22.365 0.52 35.16 ? 27 A 1 +ATOM 643 H HD21 A ASN A 1 37 ? 11.772 4.775 -25.007 0.48 45.96 ? 27 A 1 +ATOM 644 H HD21 B ASN A 1 37 ? 10.855 1.919 -22.875 0.52 39.49 ? 27 A 1 +ATOM 645 H HD22 A ASN A 1 37 ? 12.966 4.014 -24.545 0.48 45.96 ? 27 A 1 +ATOM 646 H HD22 B ASN A 1 37 ? 11.867 2.642 -23.695 0.52 39.49 ? 27 A 1 +ATOM 647 N N . ASP A 1 38 ? 14.155 5.037 -18.671 1.0 29.93 ? 28 A 1 +ATOM 648 C CA . ASP A 1 38 ? 14.851 4.398 -17.548 1.0 24.65 ? 28 A 1 +ATOM 649 C C . ASP A 1 38 ? 13.926 4.458 -16.342 1.0 21.1 ? 28 A 1 +ATOM 650 O O . ASP A 1 38 ? 13.482 5.546 -15.971 1.0 24.99 ? 28 A 1 +ATOM 651 C CB . ASP A 1 38 ? 16.175 5.136 -17.341 1.0 24.97 ? 28 A 1 +ATOM 652 C CG . ASP A 1 38 ? 17.068 4.497 -16.283 1.0 25.15 ? 28 A 1 +ATOM 653 O OD1 . ASP A 1 38 ? 16.679 4.641 -15.085 1.0 27.41 ? 28 A 1 +ATOM 654 O OD2 . ASP A 1 38 ? 18.143 3.927 -16.61 1.0 28.08 ? 28 A 1 +ATOM 655 H H A ASP A 1 38 ? 14.232 5.894 -18.66 0.48 35.92 ? 28 A 1 +ATOM 656 H H B ASP A 1 38 ? 13.83 5.812 -18.483 0.52 35.92 ? 28 A 1 +ATOM 657 H HA . ASP A 1 38 ? 15.046 3.459 -17.695 1.0 29.58 ? 28 A 1 +ATOM 658 H HB2 . ASP A 1 38 ? 16.665 5.141 -18.178 1.0 29.96 ? 28 A 1 +ATOM 659 H HB3 . ASP A 1 38 ? 15.987 6.045 -17.061 1.0 29.96 ? 28 A 1 +ATOM 660 N N . ARG A 1 39 ? 13.606 3.296 -15.777 1.0 25.33 ? 29 A 1 +ATOM 661 C CA . ARG A 1 39 ? 12.703 3.173 -14.627 1.0 29.67 ? 29 A 1 +ATOM 662 C C . ARG A 1 39 ? 13.128 4.074 -13.466 1.0 21.98 ? 29 A 1 +ATOM 663 O O . ARG A 1 39 ? 12.301 4.684 -12.789 1.0 21.96 ? 29 A 1 +ATOM 664 C CB . ARG A 1 39 ? 12.705 1.697 -14.158 1.0 31.35 ? 29 A 1 +ATOM 665 C CG . ARG A 1 39 ? 11.356 1.081 -13.919 1.0 78.29 ? 29 A 1 +ATOM 666 C CD . ARG A 1 39 ? 11.266 -0.394 -14.382 1.0 90.52 ? 29 A 1 +ATOM 667 N NE . ARG A 1 39 ? 12.447 -1.225 -14.099 1.0 47.15 ? 29 A 1 +ATOM 668 C CZ . ARG A 1 39 ? 13.093 -1.963 -15.009 1.0 57.27 ? 29 A 1 +ATOM 669 N NH1 . ARG A 1 39 ? 14.149 -2.705 -14.665 1.0 53.54 ? 29 A 1 +ATOM 670 N NH2 . ARG A 1 39 ? 12.677 -1.996 -16.262 1.0 51.03 ? 29 A 1 +ATOM 671 H H . ARG A 1 39 ? 13.905 2.536 -16.046 1.0 30.4 ? 29 A 1 +ATOM 672 H HA . ARG A 1 39 ? 11.81 3.438 -14.896 1.0 35.6 ? 29 A 1 +ATOM 673 H HB2 . ARG A 1 39 ? 13.148 1.163 -14.837 1.0 37.62 ? 29 A 1 +ATOM 674 H HB3 . ARG A 1 39 ? 13.196 1.644 -13.323 1.0 37.62 ? 29 A 1 +ATOM 675 H HG2 . ARG A 1 39 ? 11.162 1.107 -12.969 1.0 93.95 ? 29 A 1 +ATOM 676 H HG3 . ARG A 1 39 ? 10.688 1.588 -14.408 1.0 93.95 ? 29 A 1 +ATOM 677 H HD2 . ARG A 1 39 ? 10.51 -0.807 -13.936 1.0 108.63 ? 29 A 1 +ATOM 678 H HD3 . ARG A 1 39 ? 11.131 -0.404 -15.342 1.0 108.63 ? 29 A 1 +ATOM 679 H HE . ARG A 1 39 ? 12.743 -1.238 -13.291 1.0 56.58 ? 29 A 1 +ATOM 680 H HH11 . ARG A 1 39 ? 14.422 -2.712 -13.849 1.0 64.25 ? 29 A 1 +ATOM 681 H HH12 . ARG A 1 39 ? 14.556 -3.175 -15.258 1.0 64.25 ? 29 A 1 +ATOM 682 H HH21 . ARG A 1 39 ? 11.987 -1.541 -16.498 1.0 61.24 ? 29 A 1 +ATOM 683 H HH22 . ARG A 1 39 ? 13.097 -2.472 -16.842 1.0 61.24 ? 29 A 1 +ATOM 684 N N . GLY A 1 40 ? 14.437 4.185 -13.226 1.0 24.21 ? 30 A 1 +ATOM 685 C CA . GLY A 1 40 ? 14.889 5.005 -12.107 1.0 23.32 ? 30 A 1 +ATOM 686 C C . GLY A 1 40 ? 14.827 6.495 -12.359 1.0 21.31 ? 30 A 1 +ATOM 687 O O . GLY A 1 40 ? 14.447 7.262 -11.455 1.0 22.83 ? 30 A 1 +ATOM 688 H H . GLY A 1 40 ? 15.061 3.809 -13.682 1.0 29.05 ? 30 A 1 +ATOM 689 H HA2 . GLY A 1 40 ? 14.336 4.81 -11.334 1.0 27.98 ? 30 A 1 +ATOM 690 H HA3 . GLY A 1 40 ? 15.809 4.775 -11.903 1.0 27.98 ? 30 A 1 +ATOM 691 N N . PHE A 1 41 ? 15.061 6.948 -13.602 1.0 19.68 ? 31 A 1 +ATOM 692 C CA . PHE A 1 41 ? 14.808 8.325 -13.925 1.0 18.52 ? 31 A 1 +ATOM 693 C C . PHE A 1 41 ? 13.327 8.62 -13.743 1.0 20.45 ? 31 A 1 +ATOM 694 O O . PHE A 1 41 ? 12.938 9.642 -13.173 1.0 18.84 ? 31 A 1 +ATOM 695 C CB . PHE A 1 41 ? 15.208 8.64 -15.376 1.0 19.78 ? 31 A 1 +ATOM 696 C CG . PHE A 1 41 ? 14.752 9.986 -15.814 1.0 19.17 ? 31 A 1 +ATOM 697 C CD1 . PHE A 1 41 ? 15.511 11.127 -15.489 1.0 20.65 ? 31 A 1 +ATOM 698 C CD2 . PHE A 1 41 ? 13.553 10.178 -16.488 1.0 19.94 ? 31 A 1 +ATOM 699 C CE1 . PHE A 1 41 ? 15.062 12.356 -15.823 1.0 22.07 ? 31 A 1 +ATOM 700 C CE2 . PHE A 1 41 ? 13.118 11.444 -16.862 1.0 19.97 ? 31 A 1 +ATOM 701 C CZ . PHE A 1 41 ? 13.86 12.531 -16.507 1.0 21.88 ? 31 A 1 +ATOM 702 H H . PHE A 1 41 ? 15.36 6.472 -14.253 1.0 23.62 ? 31 A 1 +ATOM 703 H HA . PHE A 1 41 ? 15.345 8.884 -13.342 1.0 22.22 ? 31 A 1 +ATOM 704 H HB2 . PHE A 1 41 ? 16.175 8.61 -15.451 1.0 23.73 ? 31 A 1 +ATOM 705 H HB3 . PHE A 1 41 ? 14.81 7.98 -15.964 1.0 23.73 ? 31 A 1 +ATOM 706 H HD1 . PHE A 1 41 ? 16.322 11.034 -15.044 1.0 24.78 ? 31 A 1 +ATOM 707 H HD2 . PHE A 1 41 ? 13.028 9.44 -16.696 1.0 23.92 ? 31 A 1 +ATOM 708 H HE1 . PHE A 1 41 ? 15.566 13.103 -15.592 1.0 26.49 ? 31 A 1 +ATOM 709 H HE2 . PHE A 1 41 ? 12.332 11.548 -17.348 1.0 23.96 ? 31 A 1 +ATOM 710 H HZ . PHE A 1 41 ? 13.565 13.387 -16.72 1.0 26.26 ? 31 A 1 +ATOM 711 N N . ASN A 1 42 ? 12.469 7.753 -14.305 1.0 20.34 ? 32 A 1 +ATOM 712 C CA . ASN A 1 42 ? 11.019 8.02 -14.231 1.0 17.41 ? 32 A 1 +ATOM 713 C C . ASN A 1 42 ? 10.556 8.086 -12.782 1.0 17.79 ? 32 A 1 +ATOM 714 O O . ASN A 1 42 ? 9.747 8.951 -12.429 1.0 18.13 ? 32 A 1 +ATOM 715 C CB . ASN A 1 42 ? 10.252 6.925 -14.971 1.0 18.49 ? 32 A 1 +ATOM 716 C CG . ASN A 1 42 ? 10.441 6.964 -16.47 1.0 19.2 ? 32 A 1 +ATOM 717 O OD1 . ASN A 1 42 ? 10.93 7.922 -17.022 1.0 18.92 ? 32 A 1 +ATOM 718 N ND2 . ASN A 1 42 ? 10.055 5.899 -17.111 1.0 19.95 ? 32 A 1 +ATOM 719 H H . ASN A 1 42 ? 12.689 7.032 -14.719 1.0 24.41 ? 32 A 1 +ATOM 720 H HA . ASN A 1 42 ? 10.831 8.87 -14.659 1.0 20.89 ? 32 A 1 +ATOM 721 H HB2 . ASN A 1 42 ? 10.559 6.061 -14.656 1.0 22.19 ? 32 A 1 +ATOM 722 H HB3 . ASN A 1 42 ? 9.305 7.028 -14.788 1.0 22.19 ? 32 A 1 +ATOM 723 H HD21 . ASN A 1 42 ? 10.136 5.859 -17.967 1.0 23.94 ? 32 A 1 +ATOM 724 H HD22 . ASN A 1 42 ? 9.72 5.235 -16.679 1.0 23.94 ? 32 A 1 +ATOM 725 N N . GLU A 1 43 ? 11.053 7.18 -11.949 1.0 18.03 ? 33 A 1 +ATOM 726 C CA . GLU A 1 43 ? 10.66 7.192 -10.54 1.0 17.08 ? 33 A 1 +ATOM 727 C C . GLU A 1 43 ? 11.083 8.495 -9.864 1.0 20.17 ? 33 A 1 +ATOM 728 O O . GLU A 1 43 ? 10.331 9.057 -9.082 1.0 18.96 ? 33 A 1 +ATOM 729 C CB . GLU A 1 43 ? 11.183 5.942 -9.856 1.0 23.68 ? 33 A 1 +ATOM 730 C CG . GLU A 1 43 ? 11.056 5.89 -8.367 1.0 55.69 ? 33 A 1 +ATOM 731 C CD . GLU A 1 43 ? 11.293 4.482 -7.82 1.0 72.22 ? 33 A 1 +ATOM 732 O OE1 . GLU A 1 43 ? 11.229 3.509 -8.603 1.0 50.7 ? 33 A 1 +ATOM 733 O OE2 . GLU A 1 43 ? 11.541 4.352 -6.606 1.0 92.3 ? 33 A 1 +ATOM 734 H H . GLU A 1 43 ? 11.606 6.558 -12.165 1.0 21.63 ? 33 A 1 +ATOM 735 H HA . GLU A 1 43 ? 9.694 7.158 -10.454 1.0 20.5 ? 33 A 1 +ATOM 736 H HB2 . GLU A 1 43 ? 10.698 5.18 -10.21 1.0 28.41 ? 33 A 1 +ATOM 737 H HB3 . GLU A 1 43 ? 12.127 5.858 -10.064 1.0 28.41 ? 33 A 1 +ATOM 738 H HG2 . GLU A 1 43 ? 11.712 6.484 -7.97 1.0 66.82 ? 33 A 1 +ATOM 739 H HG3 . GLU A 1 43 ? 10.161 6.167 -8.114 1.0 66.82 ? 33 A 1 +ATOM 740 N N . ALA A 1 44 ? 12.271 9.001 -10.157 1.0 19.26 ? 34 A 1 +ATOM 741 C CA . ALA A 1 44 ? 12.705 10.289 -9.616 1.0 20.2 ? 34 A 1 +ATOM 742 C C . ALA A 1 44 ? 11.85 11.437 -10.119 1.0 18.18 ? 34 A 1 +ATOM 743 O O . ALA A 1 44 ? 11.529 12.359 -9.358 1.0 19.56 ? 34 A 1 +ATOM 744 C CB . ALA A 1 44 ? 14.176 10.523 -9.982 1.0 21.17 ? 34 A 1 +ATOM 745 H H . ALA A 1 44 ? 12.85 8.623 -10.668 1.0 23.11 ? 34 A 1 +ATOM 746 H HA . ALA A 1 44 ? 12.618 10.265 -8.65 1.0 24.24 ? 34 A 1 +ATOM 747 H HB1 . ALA A 1 44 ? 14.457 11.381 -9.628 1.0 25.41 ? 34 A 1 +ATOM 748 H HB2 . ALA A 1 44 ? 14.714 9.813 -9.596 1.0 25.41 ? 34 A 1 +ATOM 749 H HB3 . ALA A 1 44 ? 14.265 10.518 -10.948 1.0 25.41 ? 34 A 1 +ATOM 750 N N . LEU A 1 45 ? 11.454 11.407 -11.398 1.0 16.86 ? 35 A 1 +ATOM 751 C CA . LEU A 1 45 ? 10.543 12.41 -11.93 1.0 16.72 ? 35 A 1 +ATOM 752 C C . LEU A 1 45 ? 9.192 12.367 -11.207 1.0 16.31 ? 35 A 1 +ATOM 753 O O . LEU A 1 45 ? 8.649 13.413 -10.845 1.0 16.63 ? 35 A 1 +ATOM 754 C CB . LEU A 1 45 ? 10.353 12.17 -13.43 1.0 16.41 ? 35 A 1 +ATOM 755 C CG . LEU A 1 45 ? 9.379 13.074 -14.141 1.0 16.77 ? 35 A 1 +ATOM 756 C CD1 . LEU A 1 45 ? 9.919 14.524 -14.192 1.0 21.67 ? 35 A 1 +ATOM 757 C CD2 . LEU A 1 45 ? 9.043 12.585 -15.557 1.0 19.98 ? 35 A 1 +ATOM 758 H H . LEU A 1 45 ? 11.7 10.816 -11.972 1.0 20.24 ? 35 A 1 +ATOM 759 H HA . LEU A 1 45 ? 10.925 13.292 -11.798 1.0 20.06 ? 35 A 1 +ATOM 760 H HB2 . LEU A 1 45 ? 11.214 12.282 -13.863 1.0 19.7 ? 35 A 1 +ATOM 761 H HB3 . LEU A 1 45 ? 10.037 11.261 -13.551 1.0 19.7 ? 35 A 1 +ATOM 762 H HG . LEU A 1 45 ? 8.552 13.062 -13.635 1.0 20.12 ? 35 A 1 +ATOM 763 H HD11 . LEU A 1 45 ? 9.301 15.073 -14.698 1.0 26.01 ? 35 A 1 +ATOM 764 H HD12 . LEU A 1 45 ? 9.999 14.863 -13.286 1.0 26.01 ? 35 A 1 +ATOM 765 H HD13 . LEU A 1 45 ? 10.789 14.522 -14.622 1.0 26.01 ? 35 A 1 +ATOM 766 H HD21 . LEU A 1 45 ? 8.405 13.196 -15.959 1.0 23.97 ? 35 A 1 +ATOM 767 H HD22 . LEU A 1 45 ? 9.856 12.562 -16.085 1.0 23.97 ? 35 A 1 +ATOM 768 H HD23 . LEU A 1 45 ? 8.659 11.696 -15.501 1.0 23.97 ? 35 A 1 +ATOM 769 N N . PHE A 1 46 ? 8.647 11.162 -11.008 1.0 15.68 ? 36 A 1 +ATOM 770 C CA . PHE A 1 46 ? 7.38 11.026 -10.276 1.0 15.06 ? 36 A 1 +ATOM 771 C C . PHE A 1 46 ? 7.518 11.536 -8.849 1.0 17.02 ? 36 A 1 +ATOM 772 O O . PHE A 1 46 ? 6.591 12.203 -8.363 1.0 17.67 ? 36 A 1 +ATOM 773 C CB . PHE A 1 46 ? 6.913 9.573 -10.277 1.0 15.75 ? 36 A 1 +ATOM 774 C CG . PHE A 1 46 ? 6.705 8.954 -11.645 1.0 14.46 ? 36 A 1 +ATOM 775 C CD1 . PHE A 1 46 ? 6.279 9.729 -12.741 1.0 15.56 ? 36 A 1 +ATOM 776 C CD2 . PHE A 1 46 ? 6.932 7.649 -11.82 1.0 16.19 ? 36 A 1 +ATOM 777 C CE1 . PHE A 1 46 ? 6.115 9.155 -13.941 1.0 15.57 ? 36 A 1 +ATOM 778 C CE2 . PHE A 1 46 ? 6.799 7.067 -13.088 1.0 18.27 ? 36 A 1 +ATOM 779 C CZ . PHE A 1 46 ? 6.391 7.842 -14.155 1.0 15.99 ? 36 A 1 +ATOM 780 H H . PHE A 1 46 ? 8.984 10.419 -11.28 1.0 18.81 ? 36 A 1 +ATOM 781 H HA . PHE A 1 46 ? 6.704 11.554 -10.728 1.0 18.08 ? 36 A 1 +ATOM 782 H HB2 . PHE A 1 46 ? 7.579 9.038 -9.817 1.0 18.9 ? 36 A 1 +ATOM 783 H HB3 . PHE A 1 46 ? 6.066 9.524 -9.806 1.0 18.9 ? 36 A 1 +ATOM 784 H HD1 . PHE A 1 46 ? 6.11 10.637 -12.632 1.0 18.67 ? 36 A 1 +ATOM 785 H HD2 . PHE A 1 46 ? 7.181 7.123 -11.095 1.0 19.43 ? 36 A 1 +ATOM 786 H HE1 . PHE A 1 46 ? 5.804 9.672 -14.649 1.0 18.68 ? 36 A 1 +ATOM 787 H HE2 . PHE A 1 46 ? 6.985 6.164 -13.21 1.0 21.92 ? 36 A 1 +ATOM 788 H HZ . PHE A 1 46 ? 6.305 7.472 -15.005 1.0 19.19 ? 36 A 1 +ATOM 789 N N . LYS A 1 47 ? 8.628 11.248 -8.186 1.0 16.8 ? 37 A 1 +ATOM 790 C CA . LYS A 1 47 ? 8.811 11.726 -6.81 1.0 17.75 ? 37 A 1 +ATOM 791 C C . LYS A 1 47 ? 8.955 13.239 -6.75 1.0 20.35 ? 37 A 1 +ATOM 792 O O . LYS A 1 47 ? 8.465 13.865 -5.808 1.0 18.67 ? 37 A 1 +ATOM 793 C CB . LYS A 1 47 ? 9.997 11.02 -6.181 1.0 21.93 ? 37 A 1 +ATOM 794 C CG . LYS A 1 47 ? 9.723 9.582 -5.822 1.0 25.16 ? 37 A 1 +ATOM 795 C CD . LYS A 1 47 ? 11.0 8.941 -5.281 1.0 51.44 ? 37 A 1 +ATOM 796 C CE . LYS A 1 47 ? 10.782 7.506 -4.876 1.0 71.22 ? 37 A 1 +ATOM 797 N NZ . LYS A 1 47 ? 12.096 6.81 -4.728 1.0 74.43 ? 37 A 1 +ATOM 798 H H . LYS A 1 47 ? 9.284 10.787 -8.498 1.0 20.16 ? 37 A 1 +ATOM 799 H HA . LYS A 1 47 ? 8.024 11.503 -6.288 1.0 21.3 ? 37 A 1 +ATOM 800 H HB2 . LYS A 1 47 ? 10.737 11.033 -6.808 1.0 26.32 ? 37 A 1 +ATOM 801 H HB3 . LYS A 1 47 ? 10.243 11.487 -5.367 1.0 26.32 ? 37 A 1 +ATOM 802 H HG2 . LYS A 1 47 ? 9.036 9.538 -5.138 1.0 30.19 ? 37 A 1 +ATOM 803 H HG3 . LYS A 1 47 ? 9.437 9.094 -6.61 1.0 30.19 ? 37 A 1 +ATOM 804 H HD2 . LYS A 1 47 ? 11.683 8.961 -5.969 1.0 61.73 ? 37 A 1 +ATOM 805 H HD3 . LYS A 1 47 ? 11.299 9.433 -4.501 1.0 61.73 ? 37 A 1 +ATOM 806 H HE2 . LYS A 1 47 ? 10.315 7.473 -4.027 1.0 85.46 ? 37 A 1 +ATOM 807 H HE3 . LYS A 1 47 ? 10.264 7.049 -5.557 1.0 85.46 ? 37 A 1 +ATOM 808 H HZ1 . LYS A 1 47 ? 12.589 7.217 -4.109 1.0 89.32 ? 37 A 1 +ATOM 809 H HZ2 . LYS A 1 47 ? 11.967 5.964 -4.484 1.0 89.32 ? 37 A 1 +ATOM 810 H HZ3 . LYS A 1 47 ? 12.537 6.823 -5.502 1.0 89.32 ? 37 A 1 +ATOM 811 N N . LEU A 1 48 ? 9.6 13.86 -7.742 1.0 18.55 ? 38 A 1 +ATOM 812 C CA . LEU A 1 48 ? 9.656 15.311 -7.805 1.0 18.75 ? 38 A 1 +ATOM 813 C C . LEU A 1 48 ? 8.272 15.91 -7.944 1.0 17.65 ? 38 A 1 +ATOM 814 O O . LEU A 1 48 ? 7.915 16.867 -7.235 1.0 17.53 ? 38 A 1 +ATOM 815 C CB . LEU A 1 48 ? 10.579 15.739 -8.946 1.0 20.13 ? 38 A 1 +ATOM 816 C CG . LEU A 1 48 ? 10.662 17.248 -9.176 1.0 19.78 ? 38 A 1 +ATOM 817 C CD1 . LEU A 1 48 ? 11.07 18.007 -7.94 1.0 20.4 ? 38 A 1 +ATOM 818 C CD2 . LEU A 1 48 ? 11.661 17.495 -10.33 1.0 21.02 ? 38 A 1 +ATOM 819 H H . LEU A 1 48 ? 10.009 13.462 -8.385 1.0 22.26 ? 38 A 1 +ATOM 820 H HA . LEU A 1 48 ? 10.031 15.655 -6.979 1.0 22.51 ? 38 A 1 +ATOM 821 H HB2 . LEU A 1 48 ? 11.476 15.424 -8.749 1.0 24.16 ? 38 A 1 +ATOM 822 H HB3 . LEU A 1 48 ? 10.259 15.336 -9.768 1.0 24.16 ? 38 A 1 +ATOM 823 H HG . LEU A 1 48 ? 9.784 17.589 -9.407 1.0 23.74 ? 38 A 1 +ATOM 824 H HD11 . LEU A 1 48 ? 11.216 18.937 -8.174 1.0 24.48 ? 38 A 1 +ATOM 825 H HD12 . LEU A 1 48 ? 10.362 17.939 -7.28 1.0 24.48 ? 38 A 1 +ATOM 826 H HD13 . LEU A 1 48 ? 11.888 17.622 -7.588 1.0 24.48 ? 38 A 1 +ATOM 827 H HD21 . LEU A 1 48 ? 11.728 18.449 -10.492 1.0 25.22 ? 38 A 1 +ATOM 828 H HD22 . LEU A 1 48 ? 12.529 17.141 -10.078 1.0 25.22 ? 38 A 1 +ATOM 829 H HD23 . LEU A 1 48 ? 11.34 17.047 -11.128 1.0 25.22 ? 38 A 1 +ATOM 830 N N . ALA A 1 49 ? 7.49 15.394 -8.885 1.0 16.48 ? 39 A 1 +ATOM 831 C CA . ALA A 1 49 ? 6.141 15.878 -9.061 1.0 15.27 ? 39 A 1 +ATOM 832 C C . ALA A 1 49 ? 5.304 15.676 -7.791 1.0 15.99 ? 39 A 1 +ATOM 833 O O . ALA A 1 49 ? 4.569 16.59 -7.399 1.0 15.49 ? 39 A 1 +ATOM 834 C CB . ALA A 1 49 ? 5.483 15.203 -10.251 1.0 15.62 ? 39 A 1 +ATOM 835 H H . ALA A 1 49 ? 7.72 14.768 -9.428 1.0 19.78 ? 39 A 1 +ATOM 836 H HA . ALA A 1 49 ? 6.18 16.83 -9.247 1.0 18.33 ? 39 A 1 +ATOM 837 H HB1 . ALA A 1 49 ? 4.594 15.574 -10.372 1.0 18.74 ? 39 A 1 +ATOM 838 H HB2 . ALA A 1 49 ? 6.019 15.365 -11.042 1.0 18.74 ? 39 A 1 +ATOM 839 H HB3 . ALA A 1 49 ? 5.423 14.25 -10.08 1.0 18.74 ? 39 A 1 +ATOM 840 N N . ASP A 1 50 ? 5.446 14.512 -7.168 1.0 15.31 ? 40 A 1 +ATOM 841 C CA . ASP A 1 50 ? 4.734 14.285 -5.912 1.0 15.7 ? 40 A 1 +ATOM 842 C C . ASP A 1 50 ? 5.153 15.26 -4.831 1.0 16.42 ? 40 A 1 +ATOM 843 O O . ASP A 1 50 ? 4.271 15.735 -4.082 1.0 16.92 ? 40 A 1 +ATOM 844 C CB . ASP A 1 50 ? 4.94 12.844 -5.5 1.0 15.92 ? 40 A 1 +ATOM 845 C CG . ASP A 1 50 ? 4.187 12.483 -4.257 1.0 17.3 ? 40 A 1 +ATOM 846 O OD1 . ASP A 1 50 ? 2.935 12.348 -4.322 1.0 18.21 ? 40 A 1 +ATOM 847 O OD2 . ASP A 1 50 ? 4.83 12.307 -3.2 1.0 19.08 ? 40 A 1 +ATOM 848 H H . ASP A 1 50 ? 5.932 13.857 -7.44 1.0 18.37 ? 40 A 1 +ATOM 849 H HA . ASP A 1 50 ? 3.784 14.433 -6.04 1.0 18.84 ? 40 A 1 +ATOM 850 H HB2 . ASP A 1 50 ? 4.634 12.264 -6.215 1.0 19.1 ? 40 A 1 +ATOM 851 H HB3 . ASP A 1 50 ? 5.884 12.695 -5.333 1.0 19.1 ? 40 A 1 +ATOM 852 N N . GLU A 1 51 ? 6.424 15.601 -4.749 1.0 16.59 ? 41 A 1 +ATOM 853 C CA . GLU A 1 51 ? 6.87 16.557 -3.761 1.0 18.01 ? 41 A 1 +ATOM 854 C C . GLU A 1 51 ? 6.222 17.91 -4.013 1.0 17.4 ? 41 A 1 +ATOM 855 O O . GLU A 1 51 ? 5.769 18.582 -3.089 1.0 19.33 ? 41 A 1 +ATOM 856 C CB . GLU A 1 51 ? 8.383 16.679 -3.854 1.0 22.96 ? 41 A 1 +ATOM 857 C CG . GLU A 1 51 ? 8.954 17.582 -2.864 1.0 29.44 ? 41 A 1 +ATOM 858 C CD . GLU A 1 51 ? 10.469 17.656 -3.021 1.0 67.73 ? 41 A 1 +ATOM 859 O OE1 . GLU A 1 51 ? 10.964 18.469 -3.827 1.0 63.26 ? 41 A 1 +ATOM 860 O OE2 . GLU A 1 51 ? 11.151 16.864 -2.364 1.0 39.0 ? 41 A 1 +ATOM 861 H H . GLU A 1 51 ? 7.049 15.293 -5.253 1.0 19.91 ? 41 A 1 +ATOM 862 H HA . GLU A 1 51 ? 6.628 16.257 -2.871 1.0 21.61 ? 41 A 1 +ATOM 863 H HB2 . GLU A 1 51 ? 8.776 15.803 -3.72 1.0 27.55 ? 41 A 1 +ATOM 864 H HB3 . GLU A 1 51 ? 8.616 17.016 -4.733 1.0 27.55 ? 41 A 1 +ATOM 865 H HG2 . GLU A 1 51 ? 8.587 18.471 -2.985 1.0 35.32 ? 41 A 1 +ATOM 866 H HG3 . GLU A 1 51 ? 8.751 17.257 -1.973 1.0 35.32 ? 41 A 1 +ATOM 867 N N . ILE A 1 52 ? 6.212 18.356 -5.264 1.0 16.07 ? 42 A 1 +ATOM 868 C CA . ILE A 1 52 ? 5.657 19.648 -5.587 1.0 16.14 ? 42 A 1 +ATOM 869 C C . ILE A 1 52 ? 4.165 19.64 -5.278 1.0 16.02 ? 42 A 1 +ATOM 870 O O . ILE A 1 52 ? 3.606 20.636 -4.764 1.0 16.74 ? 42 A 1 +ATOM 871 C CB . ILE A 1 52 ? 5.96 19.997 -7.073 1.0 16.03 ? 42 A 1 +ATOM 872 C CG1 . ILE A 1 52 ? 7.449 20.208 -7.205 1.0 20.85 ? 42 A 1 +ATOM 873 C CG2 . ILE A 1 52 ? 5.197 21.194 -7.536 1.0 17.03 ? 42 A 1 +ATOM 874 C CD1 . ILE A 1 52 ? 7.933 20.471 -8.628 1.0 38.42 ? 42 A 1 +ATOM 875 H H . ILE A 1 52 ? 6.522 17.925 -5.94 1.0 19.28 ? 42 A 1 +ATOM 876 H HA . ILE A 1 52 ? 6.072 20.336 -5.043 1.0 19.37 ? 42 A 1 +ATOM 877 H HB . ILE A 1 52 ? 5.673 19.264 -7.639 1.0 19.23 ? 42 A 1 +ATOM 878 H HG12 . ILE A 1 52 ? 7.701 20.973 -6.665 1.0 25.02 ? 42 A 1 +ATOM 879 H HG13 . ILE A 1 52 ? 7.902 19.412 -6.884 1.0 25.02 ? 42 A 1 +ATOM 880 H HG21 . ILE A 1 52 ? 5.479 21.418 -8.437 1.0 20.44 ? 42 A 1 +ATOM 881 H HG22 . ILE A 1 52 ? 4.25 20.987 -7.527 1.0 20.44 ? 42 A 1 +ATOM 882 H HG23 . ILE A 1 52 ? 5.38 21.936 -6.939 1.0 20.44 ? 42 A 1 +ATOM 883 H HD11 . ILE A 1 52 ? 8.888 20.309 -8.672 1.0 46.1 ? 42 A 1 +ATOM 884 H HD12 . ILE A 1 52 ? 7.468 19.873 -9.235 1.0 46.1 ? 42 A 1 +ATOM 885 H HD13 . ILE A 1 52 ? 7.742 21.393 -8.861 1.0 46.1 ? 42 A 1 +ATOM 886 N N . ARG A 1 53 ? 3.482 18.55 -5.605 1.0 15.25 ? 43 A 1 +ATOM 887 C CA . ARG A 1 53 ? 2.067 18.413 -5.268 1.0 14.48 ? 43 A 1 +ATOM 888 C C . ARG A 1 53 ? 1.856 18.56 -3.755 1.0 15.39 ? 43 A 1 +ATOM 889 O O . ARG A 1 53 ? 0.986 19.356 -3.333 1.0 16.46 ? 43 A 1 +ATOM 890 C CB . ARG A 1 53 ? 1.573 17.074 -5.793 1.0 15.04 ? 43 A 1 +ATOM 891 C CG . ARG A 1 53 ? 0.096 16.746 -5.675 1.0 15.02 ? 43 A 1 +ATOM 892 C CD . ARG A 1 53 ? -0.32 16.279 -4.259 1.0 15.04 ? 43 A 1 +ATOM 893 N NE . ARG A 1 53 ? 0.339 15.055 -3.901 1.0 15.94 ? 43 A 1 +ATOM 894 C CZ . ARG A 1 53 ? 0.364 14.512 -2.692 1.0 15.2 ? 43 A 1 +ATOM 895 N NH1 . ARG A 1 53 ? -0.247 15.148 -1.69 1.0 17.18 ? 43 A 1 +ATOM 896 N NH2 . ARG A 1 53 ? 0.986 13.396 -2.466 1.0 16.41 ? 43 A 1 +ATOM 897 H H . ARG A 1 53 ? 3.811 17.874 -6.023 1.0 18.3 ? 43 A 1 +ATOM 898 H HA . ARG A 1 53 ? 1.544 19.11 -5.694 1.0 17.37 ? 43 A 1 +ATOM 899 H HB2 . ARG A 1 53 ? 1.79 17.032 -6.738 1.0 18.05 ? 43 A 1 +ATOM 900 H HB3 . ARG A 1 53 ? 2.049 16.378 -5.313 1.0 18.05 ? 43 A 1 +ATOM 901 H HG2 . ARG A 1 53 ? -0.42 17.539 -5.889 1.0 18.03 ? 43 A 1 +ATOM 902 H HG3 . ARG A 1 53 ? -0.118 16.034 -6.298 1.0 18.03 ? 43 A 1 +ATOM 903 H HD2 . ARG A 1 53 ? -0.078 16.959 -3.611 1.0 18.05 ? 43 A 1 +ATOM 904 H HD3 . ARG A 1 53 ? -1.278 16.128 -4.238 1.0 18.05 ? 43 A 1 +ATOM 905 H HE . ARG A 1 53 ? 0.755 14.637 -4.527 1.0 19.12 ? 43 A 1 +ATOM 906 H HH11 . ARG A 1 53 ? -0.647 15.895 -1.835 1.0 20.62 ? 43 A 1 +ATOM 907 H HH12 . ARG A 1 53 ? -0.24 14.81 -0.899 1.0 20.62 ? 43 A 1 +ATOM 908 H HH21 . ARG A 1 53 ? 1.393 12.993 -3.108 1.0 19.69 ? 43 A 1 +ATOM 909 H HH22 . ARG A 1 53 ? 0.991 13.059 -1.675 1.0 19.69 ? 43 A 1 +ATOM 910 N N . ARG A 1 54 ? 2.628 17.821 -2.959 1.0 15.34 ? 44 A 1 +ATOM 911 C CA . ARG A 1 54 ? 2.494 17.939 -1.507 1.0 16.73 ? 44 A 1 +ATOM 912 C C . ARG A 1 54 ? 2.653 19.384 -1.063 1.0 18.65 ? 44 A 1 +ATOM 913 O O . ARG A 1 54 ? 1.925 19.849 -0.173 1.0 20.75 ? 44 A 1 +ATOM 914 C CB . ARG A 1 54 ? 3.568 17.082 -0.859 1.0 18.28 ? 44 A 1 +ATOM 915 C CG . ARG A 1 54 ? 3.325 15.587 -0.936 1.0 17.16 ? 44 A 1 +ATOM 916 C CD . ARG A 1 54 ? 4.542 14.812 -0.555 1.0 20.11 ? 44 A 1 +ATOM 917 N NE . ARG A 1 54 ? 4.378 13.385 -0.688 1.0 22.23 ? 44 A 1 +ATOM 918 C CZ . ARG A 1 54 ? 3.863 12.57 0.204 0.89 26.85 ? 44 A 1 +ATOM 919 N NH1 . ARG A 1 54 ? 3.474 13.031 1.403 0.7 23.89 ? 44 A 1 +ATOM 920 N NH2 . ARG A 1 54 ? 3.802 11.268 -0.054 0.73 26.78 ? 44 A 1 +ATOM 921 H H . ARG A 1 54 ? 3.222 17.259 -3.227 1.0 18.4 ? 44 A 1 +ATOM 922 H HA . ARG A 1 54 ? 1.618 17.63 -1.228 1.0 20.07 ? 44 A 1 +ATOM 923 H HB2 . ARG A 1 54 ? 4.413 17.263 -1.3 1.0 21.93 ? 44 A 1 +ATOM 924 H HB3 . ARG A 1 54 ? 3.626 17.32 0.08 1.0 21.93 ? 44 A 1 +ATOM 925 H HG2 . ARG A 1 54 ? 2.608 15.346 -0.329 1.0 20.59 ? 44 A 1 +ATOM 926 H HG3 . ARG A 1 54 ? 3.084 15.347 -1.845 1.0 20.59 ? 44 A 1 +ATOM 927 H HD2 . ARG A 1 54 ? 5.277 15.081 -1.127 1.0 24.13 ? 44 A 1 +ATOM 928 H HD3 . ARG A 1 54 ? 4.756 15.001 0.372 1.0 24.13 ? 44 A 1 +ATOM 929 H HE . ARG A 1 54 ? 4.645 13.033 -1.425 1.0 26.68 ? 44 A 1 +ATOM 930 H HH11 . ARG A 1 54 ? 3.56 13.865 1.592 0.81 28.67 ? 44 A 1 +ATOM 931 H HH12 . ARG A 1 54 ? 3.137 12.492 1.982 0.81 28.67 ? 44 A 1 +ATOM 932 H HH21 . ARG A 1 54 ? 4.099 10.964 -0.801 0.75 32.13 ? 44 A 1 +ATOM 933 H HH22 . ARG A 1 54 ? 3.466 10.73 0.527 0.72 32.13 ? 44 A 1 +ATOM 934 N N . LYS A 1 55 ? 3.641 20.093 -1.582 1.0 17.59 ? 45 A 1 +ATOM 935 C CA . LYS A 1 55 ? 3.943 21.425 -1.109 1.0 19.63 ? 45 A 1 +ATOM 936 C C . LYS A 1 55 ? 2.903 22.446 -1.506 1.0 17.14 ? 45 A 1 +ATOM 937 O O . LYS A 1 55 ? 2.642 23.378 -0.746 1.0 20.76 ? 45 A 1 +ATOM 938 C CB . LYS A 1 55 ? 5.34 21.769 -1.556 1.0 21.86 ? 45 A 1 +ATOM 939 C CG . LYS A 1 55 ? 6.356 20.861 -0.881 1.0 22.37 ? 45 A 1 +ATOM 940 C CD . LYS A 1 55 ? 7.779 21.328 -1.2 1.0 29.14 ? 45 A 1 +ATOM 941 C CE . LYS A 1 55 ? 8.863 20.43 -0.5 1.0 25.72 ? 45 A 1 +ATOM 942 N NZ . LYS A 1 55 ? 10.166 20.911 -0.707 1.0 29.81 ? 45 A 1 +ATOM 943 H H . LYS A 1 55 ? 4.156 19.821 -2.215 1.0 21.11 ? 45 A 1 +ATOM 944 H HA . LYS A 1 55 ? 3.926 21.45 -0.139 1.0 23.55 ? 45 A 1 +ATOM 945 H HB2 . LYS A 1 55 ? 5.411 21.652 -2.516 1.0 26.24 ? 45 A 1 +ATOM 946 H HB3 . LYS A 1 55 ? 5.539 22.688 -1.317 1.0 26.24 ? 45 A 1 +ATOM 947 H HG2 . LYS A 1 55 ? 6.23 20.889 0.081 1.0 26.85 ? 45 A 1 +ATOM 948 H HG3 . LYS A 1 55 ? 6.248 19.953 -1.204 1.0 26.85 ? 45 A 1 +ATOM 949 H HD2 . LYS A 1 55 ? 7.922 21.284 -2.159 1.0 34.96 ? 45 A 1 +ATOM 950 H HD3 . LYS A 1 55 ? 7.894 22.24 -0.89 1.0 34.96 ? 45 A 1 +ATOM 951 H HE2 . LYS A 1 55 ? 8.695 20.414 0.456 1.0 30.87 ? 45 A 1 +ATOM 952 H HE3 . LYS A 1 55 ? 8.813 19.53 -0.86 1.0 30.87 ? 45 A 1 +ATOM 953 H HZ1 . LYS A 1 55 ? 10.754 20.381 -0.302 1.0 35.78 ? 45 A 1 +ATOM 954 H HZ2 . LYS A 1 55 ? 10.347 20.932 -1.578 1.0 35.78 ? 45 A 1 +ATOM 955 H HZ3 . LYS A 1 55 ? 10.242 21.734 -0.376 1.0 35.78 ? 45 A 1 +ATOM 956 N N . TYR A 1 56 ? 2.337 22.364 -2.724 1.0 16.69 ? 46 A 1 +ATOM 957 C CA . TYR A 1 56 ? 1.54 23.458 -3.241 1.0 18.52 ? 46 A 1 +ATOM 958 C C . TYR A 1 56 ? 0.057 23.194 -3.351 1.0 17.69 ? 46 A 1 +ATOM 959 O O . TYR A 1 56 ? -0.684 24.152 -3.441 1.0 20.41 ? 46 A 1 +ATOM 960 C CB . TYR A 1 56 ? 2.123 23.965 -4.576 1.0 17.94 ? 46 A 1 +ATOM 961 C CG . TYR A 1 56 ? 3.49 24.57 -4.276 1.0 19.38 ? 46 A 1 +ATOM 962 C CD1 . TYR A 1 56 ? 3.622 25.792 -3.647 1.0 20.13 ? 46 A 1 +ATOM 963 C CD2 . TYR A 1 56 ? 4.659 23.826 -4.494 1.0 20.97 ? 46 A 1 +ATOM 964 C CE1 . TYR A 1 56 ? 4.86 26.323 -3.295 1.0 25.17 ? 46 A 1 +ATOM 965 C CE2 . TYR A 1 56 ? 5.923 24.359 -4.105 1.0 22.79 ? 46 A 1 +ATOM 966 C CZ . TYR A 1 56 ? 6.003 25.587 -3.528 1.0 23.08 ? 46 A 1 +ATOM 967 O OH . TYR A 1 56 ? 7.24 26.077 -3.158 1.0 26.63 ? 46 A 1 +ATOM 968 H H . TYR A 1 56 ? 2.408 21.689 -3.252 1.0 20.03 ? 46 A 1 +ATOM 969 H HA . TYR A 1 56 ? 1.603 24.198 -2.617 1.0 22.23 ? 46 A 1 +ATOM 970 H HB2 . TYR A 1 56 ? 2.225 23.229 -5.199 1.0 21.53 ? 46 A 1 +ATOM 971 H HB3 . TYR A 1 56 ? 1.546 24.645 -4.958 1.0 21.53 ? 46 A 1 +ATOM 972 H HD1 . TYR A 1 56 ? 2.855 26.279 -3.451 1.0 24.16 ? 46 A 1 +ATOM 973 H HD2 . TYR A 1 56 ? 4.61 22.986 -4.892 1.0 25.16 ? 46 A 1 +ATOM 974 H HE1 . TYR A 1 56 ? 4.916 27.166 -2.906 1.0 30.2 ? 46 A 1 +ATOM 975 H HE2 . TYR A 1 56 ? 6.697 23.864 -4.248 1.0 27.35 ? 46 A 1 +ATOM 976 H HH . TYR A 1 56 ? 7.154 26.83 -2.796 1.0 31.96 ? 46 A 1 +ATOM 977 N N . VAL A 1 57 ? -0.396 21.94 -3.34 1.0 17.59 ? 47 A 1 +ATOM 978 C CA . VAL A 1 57 ? -1.823 21.627 -3.249 1.0 16.9 ? 47 A 1 +ATOM 979 C C . VAL A 1 57 ? -2.138 20.713 -2.077 1.0 17.01 ? 47 A 1 +ATOM 980 O O . VAL A 1 57 ? -3.325 20.439 -1.872 1.0 17.34 ? 47 A 1 +ATOM 981 C CB . VAL A 1 57 ? -2.417 21.084 -4.57 1.0 16.64 ? 47 A 1 +ATOM 982 C CG1 . VAL A 1 57 ? -2.267 22.142 -5.707 1.0 16.02 ? 47 A 1 +ATOM 983 C CG2 . VAL A 1 57 ? -1.818 19.74 -4.971 1.0 15.98 ? 47 A 1 +ATOM 984 H H . VAL A 1 57 ? 0.109 21.246 -3.384 1.0 21.11 ? 47 A 1 +ATOM 985 H HA . VAL A 1 57 ? -2.298 22.459 -3.096 1.0 20.28 ? 47 A 1 +ATOM 986 H HB . VAL A 1 57 ? -3.363 20.921 -4.426 1.0 19.96 ? 47 A 1 +ATOM 987 H HG11 . VAL A 1 57 ? -2.693 21.805 -6.511 1.0 19.22 ? 47 A 1 +ATOM 988 H HG12 . VAL A 1 57 ? -2.692 22.968 -5.428 1.0 19.22 ? 47 A 1 +ATOM 989 H HG13 . VAL A 1 57 ? -1.323 22.295 -5.873 1.0 19.22 ? 47 A 1 +ATOM 990 H HG21 . VAL A 1 57 ? -2.2 19.465 -5.819 1.0 19.17 ? 47 A 1 +ATOM 991 H HG22 . VAL A 1 57 ? -0.857 19.836 -5.057 1.0 19.17 ? 47 A 1 +ATOM 992 H HG23 . VAL A 1 57 ? -2.025 19.085 -4.287 1.0 19.17 ? 47 A 1 +ATOM 993 N N . GLY A 1 58 ? -1.154 20.212 -1.353 1.0 17.86 ? 48 A 1 +ATOM 994 C CA . GLY A 1 58 ? -1.461 19.519 -0.109 1.0 19.29 ? 48 A 1 +ATOM 995 C C . GLY A 1 58 ? -1.981 18.106 -0.333 1.0 17.95 ? 48 A 1 +ATOM 996 O O . GLY A 1 58 ? -1.86 17.511 -1.431 1.0 18.76 ? 48 A 1 +ATOM 997 H H . GLY A 1 58 ? -0.318 20.258 -1.551 1.0 21.43 ? 48 A 1 +ATOM 998 H HA2 . GLY A 1 58 ? -0.659 19.464 0.434 1.0 23.15 ? 48 A 1 +ATOM 999 H HA3 . GLY A 1 58 ? -2.137 20.017 0.376 1.0 23.15 ? 48 A 1 +ATOM 1000 N N . ASP A 1 59 ? -2.605 17.543 0.717 1.0 18.09 ? 49 A 1 +ATOM 1001 C CA A ASP A 1 59 ? -2.973 16.128 0.748 0.72 17.17 ? 49 A 1 +ATOM 1002 C CA B ASP A 1 59 ? -2.954 16.13 0.692 0.28 21.98 ? 49 A 1 +ATOM 1003 C C . ASP A 1 59 ? -4.424 15.867 0.409 1.0 18.12 ? 49 A 1 +ATOM 1004 O O . ASP A 1 59 ? -4.808 14.714 0.266 1.0 20.81 ? 49 A 1 +ATOM 1005 C CB A ASP A 1 59 ? -2.655 15.487 2.111 0.72 21.63 ? 49 A 1 +ATOM 1006 C CB B ASP A 1 59 ? -2.46 15.398 1.927 0.28 40.47 ? 49 A 1 +ATOM 1007 C CG A ASP A 1 59 ? -1.465 14.458 2.003 0.72 24.72 ? 49 A 1 +ATOM 1008 C CG B ASP A 1 59 ? -3.345 15.585 3.078 0.28 32.72 ? 49 A 1 +ATOM 1009 O OD1 A ASP A 1 59 ? -0.483 14.576 1.139 0.72 21.91 ? 49 A 1 +ATOM 1010 O OD1 B ASP A 1 59 ? -3.906 16.69 3.224 0.28 36.53 ? 49 A 1 +ATOM 1011 O OD2 A ASP A 1 59 ? -1.47 13.523 2.807 0.72 31.5 ? 49 A 1 +ATOM 1012 O OD2 B ASP A 1 59 ? -3.517 14.605 3.82 0.28 29.57 ? 49 A 1 +ATOM 1013 H H . ASP A 1 59 ? -2.825 17.973 1.429 1.0 21.71 ? 49 A 1 +ATOM 1014 H HA . ASP A 1 59 ? -2.426 15.68 0.085 1.0 26.38 ? 49 A 1 +ATOM 1015 H HB2 A ASP A 1 59 ? -2.403 16.181 2.741 0.72 25.96 ? 49 A 1 +ATOM 1016 H HB2 B ASP A 1 59 ? -2.412 14.448 1.735 0.28 48.56 ? 49 A 1 +ATOM 1017 H HB3 A ASP A 1 59 ? -3.438 15.015 2.435 0.72 25.96 ? 49 A 1 +ATOM 1018 H HB3 B ASP A 1 59 ? -1.581 15.733 2.165 0.28 48.56 ? 49 A 1 +ATOM 1019 N N . GLU A 1 60 ? -5.258 16.914 0.246 1.0 16.54 ? 50 A 1 +ATOM 1020 C CA . GLU A 1 60 ? -6.657 16.7 -0.102 1.0 17.67 ? 50 A 1 +ATOM 1021 C C . GLU A 1 60 ? -6.762 16.232 -1.546 1.0 17.52 ? 50 A 1 +ATOM 1022 O O . GLU A 1 60 ? -6.157 16.822 -2.452 1.0 16.7 ? 50 A 1 +ATOM 1023 C CB . GLU A 1 60 ? -7.465 18.003 0.094 1.0 18.44 ? 50 A 1 +ATOM 1024 C CG . GLU A 1 60 ? -7.639 18.332 1.568 1.0 21.81 ? 50 A 1 +ATOM 1025 C CD . GLU A 1 60 ? -8.324 19.639 1.93 1.0 38.42 ? 50 A 1 +ATOM 1026 O OE1 . GLU A 1 60 ? -9.206 20.129 1.232 1.0 26.81 ? 50 A 1 +ATOM 1027 O OE2 . GLU A 1 60 ? -7.977 20.177 3.003 1.0 47.03 ? 50 A 1 +ATOM 1028 H H . GLU A 1 60 ? -5.033 17.739 0.332 1.0 19.85 ? 50 A 1 +ATOM 1029 H HA . GLU A 1 60 ? -7.035 16.02 0.477 1.0 21.2 ? 50 A 1 +ATOM 1030 H HB2 . GLU A 1 60 ? -6.996 18.739 -0.33 1.0 22.13 ? 50 A 1 +ATOM 1031 H HB3 . GLU A 1 60 ? -8.344 17.898 -0.302 1.0 22.13 ? 50 A 1 +ATOM 1032 H HG2 . GLU A 1 60 ? -8.165 17.622 1.969 1.0 26.17 ? 50 A 1 +ATOM 1033 H HG3 . GLU A 1 60 ? -6.757 18.359 1.971 1.0 26.17 ? 50 A 1 +ATOM 1034 N N . VAL A 1 61 ? -7.552 15.188 -1.769 1.0 16.05 ? 51 A 1 +ATOM 1035 C CA . VAL A 1 61 ? -7.91 14.736 -3.122 1.0 15.57 ? 51 A 1 +ATOM 1036 C C . VAL A 1 61 ? -9.352 15.161 -3.33 1.0 15.54 ? 51 A 1 +ATOM 1037 O O . VAL A 1 61 ? -10.256 14.697 -2.636 1.0 16.9 ? 51 A 1 +ATOM 1038 C CB . VAL A 1 61 ? -7.746 13.233 -3.285 1.0 15.31 ? 51 A 1 +ATOM 1039 C CG1 . VAL A 1 61 ? -8.214 12.773 -4.652 1.0 15.4 ? 51 A 1 +ATOM 1040 C CG2 . VAL A 1 61 ? -6.288 12.856 -3.117 1.0 16.48 ? 51 A 1 +ATOM 1041 H H . VAL A 1 61 ? -7.903 14.712 -1.145 1.0 19.27 ? 51 A 1 +ATOM 1042 H HA . VAL A 1 61 ? -7.344 15.166 -3.782 1.0 18.68 ? 51 A 1 +ATOM 1043 H HB . VAL A 1 61 ? -8.285 12.794 -2.608 1.0 18.37 ? 51 A 1 +ATOM 1044 H HG11 . VAL A 1 61 ? -7.971 11.842 -4.773 1.0 18.49 ? 51 A 1 +ATOM 1045 H HG12 . VAL A 1 61 ? -9.178 12.873 -4.706 1.0 18.49 ? 51 A 1 +ATOM 1046 H HG13 . VAL A 1 61 ? -7.787 13.318 -5.332 1.0 18.49 ? 51 A 1 +ATOM 1047 H HG21 . VAL A 1 61 ? -6.193 11.899 -3.239 1.0 19.78 ? 51 A 1 +ATOM 1048 H HG22 . VAL A 1 61 ? -5.761 13.328 -3.781 1.0 19.78 ? 51 A 1 +ATOM 1049 H HG23 . VAL A 1 61 ? -5.997 13.106 -2.226 1.0 19.78 ? 51 A 1 +ATOM 1050 N N . HIS A 1 62 ? -9.57 16.114 -4.23 1.0 15.21 ? 52 A 1 +ATOM 1051 C CA . HIS A 1 62 ? -10.896 16.673 -4.453 1.0 15.01 ? 52 A 1 +ATOM 1052 C C . HIS A 1 62 ? -11.749 15.764 -5.302 1.0 14.07 ? 52 A 1 +ATOM 1053 O O . HIS A 1 62 ? -11.274 15.264 -6.337 1.0 15.69 ? 52 A 1 +ATOM 1054 C CB . HIS A 1 62 ? -10.797 18.072 -5.051 1.0 14.57 ? 52 A 1 +ATOM 1055 C CG . HIS A 1 62 ? -10.071 18.999 -4.143 1.0 15.99 ? 52 A 1 +ATOM 1056 N ND1 . HIS A 1 62 ? -10.636 19.419 -2.972 1.0 17.59 ? 52 A 1 +ATOM 1057 C CD2 . HIS A 1 62 ? -8.804 19.463 -4.162 1.0 18.68 ? 52 A 1 +ATOM 1058 C CE1 . HIS A 1 62 ? -9.75 20.153 -2.314 1.0 18.36 ? 52 A 1 +ATOM 1059 N NE2 . HIS A 1 62 ? -8.634 20.193 -3.007 1.0 18.23 ? 52 A 1 +ATOM 1060 H H . HIS A 1 62 ? -8.96 16.457 -4.729 1.0 18.25 ? 52 A 1 +ATOM 1061 H HA . HIS A 1 62 ? -11.347 16.749 -3.598 1.0 18.02 ? 52 A 1 +ATOM 1062 H HB2 . HIS A 1 62 ? -10.316 18.029 -5.892 1.0 17.49 ? 52 A 1 +ATOM 1063 H HB3 . HIS A 1 62 ? -11.689 18.423 -5.196 1.0 17.49 ? 52 A 1 +ATOM 1064 H HD1 . HIS A 1 62 ? -11.434 19.238 -2.707 1.0 21.1 ? 52 A 1 +ATOM 1065 H HD2 . HIS A 1 62 ? -8.169 19.319 -4.826 1.0 22.41 ? 52 A 1 +ATOM 1066 H HE1 . HIS A 1 62 ? -9.895 20.571 -1.496 1.0 22.03 ? 52 A 1 +ATOM 1067 N N . ILE A 1 63 ? -12.971 15.558 -4.915 1.0 14.57 ? 53 A 1 +ATOM 1068 C CA . ILE A 1 63 ? -13.892 14.681 -5.599 1.0 15.62 ? 53 A 1 +ATOM 1069 C C . ILE A 1 63 ? -14.814 15.516 -6.456 1.0 14.65 ? 53 A 1 +ATOM 1070 O O . ILE A 1 63 ? -15.549 16.372 -5.956 1.0 15.42 ? 53 A 1 +ATOM 1071 C CB . ILE A 1 63 ? -14.677 13.834 -4.59 1.0 16.65 ? 53 A 1 +ATOM 1072 C CG1 . ILE A 1 63 ? -13.721 12.902 -3.859 1.0 18.43 ? 53 A 1 +ATOM 1073 C CG2 . ILE A 1 63 ? -15.783 13.06 -5.306 1.0 18.74 ? 53 A 1 +ATOM 1074 C CD1 . ILE A 1 63 ? -14.348 12.183 -2.66 1.0 23.7 ? 53 A 1 +ATOM 1075 H H . ILE A 1 63 ? -13.317 15.932 -4.223 1.0 17.49 ? 53 A 1 +ATOM 1076 H HA . ILE A 1 63 ? -13.401 14.09 -6.192 1.0 18.75 ? 53 A 1 +ATOM 1077 H HB . ILE A 1 63 ? -15.097 14.412 -3.934 1.0 19.98 ? 53 A 1 +ATOM 1078 H HG12 . ILE A 1 63 ? -13.411 12.224 -4.48 1.0 22.12 ? 53 A 1 +ATOM 1079 H HG13 . ILE A 1 63 ? -12.969 13.42 -3.532 1.0 22.12 ? 53 A 1 +ATOM 1080 H HG21 . ILE A 1 63 ? -16.112 12.362 -4.718 1.0 22.49 ? 53 A 1 +ATOM 1081 H HG22 . ILE A 1 63 ? -16.503 13.671 -5.529 1.0 22.49 ? 53 A 1 +ATOM 1082 H HG23 . ILE A 1 63 ? -15.421 12.667 -6.116 1.0 22.49 ? 53 A 1 +ATOM 1083 H HD11 . ILE A 1 63 ? -13.647 11.741 -2.156 1.0 28.45 ? 53 A 1 +ATOM 1084 H HD12 . ILE A 1 63 ? -14.797 12.835 -2.101 1.0 28.45 ? 53 A 1 +ATOM 1085 H HD13 . ILE A 1 63 ? -14.987 11.528 -2.983 1.0 28.45 ? 53 A 1 +ATOM 1086 N N . ARG A 1 64 ? -14.864 15.233 -7.759 1.0 13.74 ? 54 A 1 +ATOM 1087 C CA . ARG A 1 64 ? -15.715 15.929 -8.706 1.0 14.06 ? 54 A 1 +ATOM 1088 C C . ARG A 1 64 ? -16.631 14.865 -9.303 1.0 15.32 ? 54 A 1 +ATOM 1089 O O . ARG A 1 64 ? -16.172 14.059 -10.111 1.0 16.05 ? 54 A 1 +ATOM 1090 C CB . ARG A 1 64 ? -14.91 16.621 -9.811 1.0 14.22 ? 54 A 1 +ATOM 1091 C CG . ARG A 1 64 ? -13.536 17.177 -9.427 1.0 14.19 ? 54 A 1 +ATOM 1092 C CD . ARG A 1 64 ? -13.563 18.305 -8.535 1.0 15.96 ? 54 A 1 +ATOM 1093 N NE . ARG A 1 64 ? -12.312 19.099 -8.562 1.0 14.64 ? 54 A 1 +ATOM 1094 C CZ . ARG A 1 64 ? -12.036 20.079 -7.743 1.0 15.52 ? 54 A 1 +ATOM 1095 N NH1 . ARG A 1 64 ? -12.756 20.306 -6.682 1.0 16.26 ? 54 A 1 +ATOM 1096 N NH2 . ARG A 1 64 ? -10.973 20.848 -7.994 1.0 17.69 ? 54 A 1 +ATOM 1097 H H . ARG A 1 64 ? -14.392 14.615 -8.127 1.0 16.49 ? 54 A 1 +ATOM 1098 H HA . ARG A 1 64 ? -16.228 16.615 -8.25 1.0 16.87 ? 54 A 1 +ATOM 1099 H HB2 . ARG A 1 64 ? -14.765 15.978 -10.522 1.0 17.06 ? 54 A 1 +ATOM 1100 H HB3 . ARG A 1 64 ? -15.434 17.368 -10.14 1.0 17.06 ? 54 A 1 +ATOM 1101 H HG2 . ARG A 1 64 ? -13.03 16.474 -8.99 1.0 17.03 ? 54 A 1 +ATOM 1102 H HG3 . ARG A 1 64 ? -13.081 17.458 -10.236 1.0 17.03 ? 54 A 1 +ATOM 1103 H HD2 . ARG A 1 64 ? -14.293 18.89 -8.791 1.0 19.15 ? 54 A 1 +ATOM 1104 H HD3 . ARG A 1 64 ? -13.694 17.986 -7.629 1.0 19.15 ? 54 A 1 +ATOM 1105 H HE . ARG A 1 64 ? -11.726 18.9 -9.159 1.0 17.57 ? 54 A 1 +ATOM 1106 H HH11 . ARG A 1 64 ? -13.432 19.804 -6.505 1.0 19.52 ? 54 A 1 +ATOM 1107 H HH12 . ARG A 1 64 ? -12.556 20.957 -6.157 1.0 19.52 ? 54 A 1 +ATOM 1108 H HH21 . ARG A 1 64 ? -10.483 20.693 -8.684 1.0 21.23 ? 54 A 1 +ATOM 1109 H HH22 . ARG A 1 64 ? -10.777 21.497 -7.465 1.0 21.23 ? 54 A 1 +ATOM 1110 N N . ALA A 1 65 ? -17.913 14.844 -8.946 1.0 13.32 ? 55 A 1 +ATOM 1111 C CA . ALA A 1 65 ? -18.782 13.797 -9.436 1.0 12.77 ? 55 A 1 +ATOM 1112 C C . ALA A 1 65 ? -19.308 14.164 -10.816 1.0 13.03 ? 55 A 1 +ATOM 1113 O O . ALA A 1 65 ? -19.921 15.212 -10.995 1.0 14.51 ? 55 A 1 +ATOM 1114 C CB . ALA A 1 65 ? -19.985 13.614 -8.513 1.0 14.49 ? 55 A 1 +ATOM 1115 H H . ALA A 1 65 ? -18.29 15.418 -8.429 1.0 15.98 ? 55 A 1 +ATOM 1116 H HA . ALA A 1 65 ? -18.275 12.972 -9.477 1.0 15.32 ? 55 A 1 +ATOM 1117 H HB1 . ALA A 1 65 ? -20.553 12.912 -8.868 1.0 17.39 ? 55 A 1 +ATOM 1118 H HB2 . ALA A 1 65 ? -19.671 13.369 -7.629 1.0 17.39 ? 55 A 1 +ATOM 1119 H HB3 . ALA A 1 65 ? -20.479 14.448 -8.469 1.0 17.39 ? 55 A 1 +ATOM 1120 N N . ILE A 1 66 ? -19.101 13.267 -11.784 1.0 12.92 ? 56 A 1 +ATOM 1121 C CA . ILE A 1 66 ? -19.465 13.543 -13.181 1.0 13.41 ? 56 A 1 +ATOM 1122 C C . ILE A 1 66 ? -20.821 12.951 -13.497 1.0 13.42 ? 56 A 1 +ATOM 1123 O O . ILE A 1 66 ? -21.05 11.755 -13.264 1.0 15.24 ? 56 A 1 +ATOM 1124 C CB . ILE A 1 66 ? -18.462 12.963 -14.178 1.0 12.74 ? 56 A 1 +ATOM 1125 C CG1 . ILE A 1 66 ? -17.015 13.342 -13.906 1.0 15.18 ? 56 A 1 +ATOM 1126 C CG2 . ILE A 1 66 ? -18.776 13.479 -15.609 1.0 15.31 ? 56 A 1 +ATOM 1127 C CD1 A ILE A 1 66 ? -16.062 12.47 -14.761 0.85 15.32 ? 56 A 1 +ATOM 1128 H H . ILE A 1 66 ? -18.751 12.491 -11.657 1.0 15.5 ? 56 A 1 +ATOM 1129 H HA . ILE A 1 66 ? -19.497 14.509 -13.261 1.0 16.09 ? 56 A 1 +ATOM 1130 H HB . ILE A 1 66 ? -18.557 12.002 -14.085 1.0 15.29 ? 56 A 1 +ATOM 1131 H HG12 A ILE A 1 66 ? -16.874 14.273 -14.136 0.85 18.21 ? 56 A 1 +ATOM 1132 H HG13 A ILE A 1 66 ? -16.812 13.197 -12.968 0.85 18.21 ? 56 A 1 +ATOM 1133 H HG21 . ILE A 1 66 ? -18.137 13.096 -16.23 1.0 18.37 ? 56 A 1 +ATOM 1134 H HG22 . ILE A 1 66 ? -19.676 13.209 -15.852 1.0 18.37 ? 56 A 1 +ATOM 1135 H HG23 . ILE A 1 66 ? -18.707 14.447 -15.618 1.0 18.37 ? 56 A 1 +ATOM 1136 H HD11 A ILE A 1 66 ? -15.307 12.2 -14.215 0.85 18.39 ? 56 A 1 +ATOM 1137 H HD12 A ILE A 1 66 ? -16.544 11.686 -15.07 0.85 18.39 ? 56 A 1 +ATOM 1138 H HD13 A ILE A 1 66 ? -15.754 12.989 -15.519 0.85 18.39 ? 56 A 1 +ATOM 1139 N N . ILE A 1 67 ? -21.702 13.758 -14.059 1.0 12.78 ? 57 A 1 +ATOM 1140 C CA . ILE A 1 67 ? -22.939 13.263 -14.644 1.0 12.95 ? 57 A 1 +ATOM 1141 C C . ILE A 1 67 ? -22.849 13.529 -16.146 1.0 12.34 ? 57 A 1 +ATOM 1142 O O . ILE A 1 67 ? -22.806 14.68 -16.586 1.0 12.7 ? 57 A 1 +ATOM 1143 C CB . ILE A 1 67 ? -24.178 13.923 -14.024 1.0 13.42 ? 57 A 1 +ATOM 1144 C CG1 . ILE A 1 67 ? -24.214 13.719 -12.525 1.0 14.6 ? 57 A 1 +ATOM 1145 C CG2 . ILE A 1 67 ? -25.457 13.381 -14.681 1.0 14.97 ? 57 A 1 +ATOM 1146 C CD1 . ILE A 1 67 ? -25.276 14.53 -11.811 1.0 16.1 ? 57 A 1 +ATOM 1147 H H . ILE A 1 67 ? -21.606 14.611 -14.116 1.0 15.33 ? 57 A 1 +ATOM 1148 H HA . ILE A 1 67 ? -23.012 12.306 -14.499 1.0 15.54 ? 57 A 1 +ATOM 1149 H HB . ILE A 1 67 ? -24.124 14.877 -14.19 1.0 16.11 ? 57 A 1 +ATOM 1150 H HG12 . ILE A 1 67 ? -24.39 12.782 -12.344 1.0 17.52 ? 57 A 1 +ATOM 1151 H HG13 . ILE A 1 67 ? -23.354 13.972 -12.156 1.0 17.52 ? 57 A 1 +ATOM 1152 H HG21 . ILE A 1 67 ? -26.228 13.792 -14.259 1.0 17.97 ? 57 A 1 +ATOM 1153 H HG22 . ILE A 1 67 ? -25.443 13.599 -15.626 1.0 17.97 ? 57 A 1 +ATOM 1154 H HG23 . ILE A 1 67 ? -25.489 12.419 -14.564 1.0 17.97 ? 57 A 1 +ATOM 1155 H HD11 . ILE A 1 67 ? -25.146 14.446 -10.853 1.0 19.32 ? 57 A 1 +ATOM 1156 H HD12 . ILE A 1 67 ? -25.195 15.459 -12.076 1.0 19.32 ? 57 A 1 +ATOM 1157 H HD13 . ILE A 1 67 ? -26.151 14.191 -12.057 1.0 19.32 ? 57 A 1 +ATOM 1158 N N . GLU A 1 68 ? -22.798 12.428 -16.918 1.0 12.47 ? 58 A 1 +ATOM 1159 C CA . GLU A 1 68 ? -22.657 12.474 -18.382 1.0 12.62 ? 58 A 1 +ATOM 1160 C C . GLU A 1 68 ? -24.074 12.393 -18.906 1.0 13.28 ? 58 A 1 +ATOM 1161 O O . GLU A 1 68 ? -24.66 11.313 -19.023 1.0 14.3 ? 58 A 1 +ATOM 1162 C CB . GLU A 1 68 ? -21.792 11.303 -18.837 1.0 13.32 ? 58 A 1 +ATOM 1163 C CG . GLU A 1 68 ? -20.412 11.298 -18.23 1.0 14.9 ? 58 A 1 +ATOM 1164 C CD . GLU A 1 68 ? -19.738 9.951 -18.162 1.0 17.79 ? 58 A 1 +ATOM 1165 O OE1 . GLU A 1 68 ? -20.491 8.966 -17.981 1.0 19.87 ? 58 A 1 +ATOM 1166 O OE2 . GLU A 1 68 ? -18.487 9.944 -18.049 1.0 18.94 ? 58 A 1 +ATOM 1167 H H . GLU A 1 68 ? -22.844 11.627 -16.608 1.0 14.96 ? 58 A 1 +ATOM 1168 H HA . GLU A 1 68 ? -22.239 13.291 -18.696 1.0 15.15 ? 58 A 1 +ATOM 1169 H HB2 . GLU A 1 68 ? -22.23 10.475 -18.586 1.0 15.98 ? 58 A 1 +ATOM 1170 H HB3 . GLU A 1 68 ? -21.692 11.346 -19.801 1.0 15.98 ? 58 A 1 +ATOM 1171 H HG2 . GLU A 1 68 ? -19.843 11.879 -18.76 1.0 17.88 ? 58 A 1 +ATOM 1172 H HG3 . GLU A 1 68 ? -20.476 11.635 -17.323 1.0 17.88 ? 58 A 1 +ATOM 1173 N N . PHE A 1 69 ? -24.691 13.545 -19.114 1.0 13.59 ? 59 A 1 +ATOM 1174 C CA . PHE A 1 69 ? -26.146 13.591 -19.161 1.0 13.32 ? 59 A 1 +ATOM 1175 C C . PHE A 1 69 ? -26.756 13.395 -20.548 1.0 14.8 ? 59 A 1 +ATOM 1176 O O . PHE A 1 69 ? -27.969 13.26 -20.668 1.0 14.31 ? 59 A 1 +ATOM 1177 C CB . PHE A 1 69 ? -26.647 14.897 -18.494 1.0 13.66 ? 59 A 1 +ATOM 1178 C CG . PHE A 1 69 ? -26.21 16.139 -19.191 1.0 13.82 ? 59 A 1 +ATOM 1179 C CD1 . PHE A 1 69 ? -26.938 16.651 -20.262 1.0 14.13 ? 59 A 1 +ATOM 1180 C CD2 . PHE A 1 69 ? -25.066 16.807 -18.809 1.0 14.64 ? 59 A 1 +ATOM 1181 C CE1 . PHE A 1 69 ? -26.536 17.782 -20.91 1.0 14.31 ? 59 A 1 +ATOM 1182 C CE2 . PHE A 1 69 ? -24.62 17.961 -19.457 1.0 13.27 ? 59 A 1 +ATOM 1183 C CZ . PHE A 1 69 ? -25.381 18.43 -20.536 1.0 14.08 ? 59 A 1 +ATOM 1184 H H . PHE A 1 69 ? -24.298 14.301 -19.23 1.0 16.31 ? 59 A 1 +ATOM 1185 H HA . PHE A 1 69 ? -26.492 12.85 -18.639 1.0 15.99 ? 59 A 1 +ATOM 1186 H HB2 . PHE A 1 69 ? -27.617 14.89 -18.486 1.0 16.39 ? 59 A 1 +ATOM 1187 H HB3 . PHE A 1 69 ? -26.308 14.933 -17.586 1.0 16.39 ? 59 A 1 +ATOM 1188 H HD1 . PHE A 1 69 ? -27.71 16.214 -20.54 1.0 16.96 ? 59 A 1 +ATOM 1189 H HD2 . PHE A 1 69 ? -24.572 16.477 -18.093 1.0 17.57 ? 59 A 1 +ATOM 1190 H HE1 . PHE A 1 69 ? -27.047 18.118 -21.61 1.0 17.18 ? 59 A 1 +ATOM 1191 H HE2 . PHE A 1 69 ? -23.849 18.402 -19.183 1.0 15.93 ? 59 A 1 +ATOM 1192 H HZ . PHE A 1 69 ? -25.104 19.184 -21.004 1.0 16.9 ? 59 A 1 +ATOM 1193 N N . SER A 1 70 ? -25.925 13.436 -21.582 1.0 13.09 ? 60 A 1 +ATOM 1194 C CA . SER A 1 70 ? -26.361 13.144 -22.946 1.0 13.3 ? 60 A 1 +ATOM 1195 C C . SER A 1 70 ? -25.158 12.637 -23.702 1.0 12.5 ? 60 A 1 +ATOM 1196 O O . SER A 1 70 ? -24.081 13.193 -23.58 1.0 13.47 ? 60 A 1 +ATOM 1197 C CB . SER A 1 70 ? -26.885 14.432 -23.59 1.0 14.06 ? 60 A 1 +ATOM 1198 O OG . SER A 1 70 ? -27.043 14.124 -25.006 1.0 14.73 ? 60 A 1 +ATOM 1199 H H . SER A 1 70 ? -25.09 13.632 -21.522 1.0 15.7 ? 60 A 1 +ATOM 1200 H HA . SER A 1 70 ? -27.055 12.467 -22.972 1.0 15.96 ? 60 A 1 +ATOM 1201 H HB2 . SER A 1 70 ? -27.739 14.679 -23.202 1.0 16.87 ? 60 A 1 +ATOM 1202 H HB3 . SER A 1 70 ? -26.246 15.152 -23.472 1.0 16.87 ? 60 A 1 +ATOM 1203 H HG . SER A 1 70 ? -27.364 14.787 -25.409 1.0 17.68 ? 60 A 1 +ATOM 1204 N N . ASN A 1 71 ? -25.354 11.615 -24.537 1.0 13.69 ? 61 A 1 +ATOM 1205 C CA . ASN A 1 71 ? -24.301 11.149 -25.432 1.0 13.71 ? 61 A 1 +ATOM 1206 C C . ASN A 1 71 ? -24.58 11.547 -26.874 1.0 14.61 ? 61 A 1 +ATOM 1207 O O . ASN A 1 71 ? -23.942 10.982 -27.778 1.0 15.31 ? 61 A 1 +ATOM 1208 C CB . ASN A 1 71 ? -24.052 9.647 -25.319 1.0 14.01 ? 61 A 1 +ATOM 1209 C CG . ASN A 1 71 ? -25.134 8.824 -25.912 1.0 13.41 ? 61 A 1 +ATOM 1210 O OD1 . ASN A 1 71 ? -26.19 9.329 -26.239 1.0 14.99 ? 61 A 1 +ATOM 1211 N ND2 . ASN A 1 71 ? -24.938 7.504 -25.97 1.0 14.08 ? 61 A 1 +ATOM 1212 H H . ASN A 1 71 ? -26.091 11.176 -24.601 1.0 16.43 ? 61 A 1 +ATOM 1213 H HA . ASN A 1 71 ? -23.473 11.569 -25.15 1.0 16.45 ? 61 A 1 +ATOM 1214 H HB2 . ASN A 1 71 ? -23.227 9.43 -25.781 1.0 16.81 ? 61 A 1 +ATOM 1215 H HB3 . ASN A 1 71 ? -23.979 9.41 -24.381 1.0 16.81 ? 61 A 1 +ATOM 1216 H HD21 . ASN A 1 71 ? -25.542 6.993 -26.307 1.0 16.89 ? 61 A 1 +ATOM 1217 H HD22 . ASN A 1 71 ? -24.206 7.164 -25.67 1.0 16.89 ? 61 A 1 +ATOM 1218 N N . VAL A 1 72 ? -25.455 12.516 -27.09 1.0 14.06 ? 62 A 1 +ATOM 1219 C CA . VAL A 1 72 ? -25.731 13.037 -28.434 1.0 13.63 ? 62 A 1 +ATOM 1220 C C . VAL A 1 72 ? -24.651 14.054 -28.739 1.0 14.16 ? 62 A 1 +ATOM 1221 O O . VAL A 1 72 ? -24.392 14.973 -27.956 1.0 14.75 ? 62 A 1 +ATOM 1222 C CB . VAL A 1 72 ? -27.089 13.705 -28.427 1.0 15.04 ? 62 A 1 +ATOM 1223 C CG1 . VAL A 1 72 ? -27.377 14.4 -29.763 1.0 15.76 ? 62 A 1 +ATOM 1224 C CG2 . VAL A 1 72 ? -28.182 12.69 -28.137 1.0 17.41 ? 62 A 1 +ATOM 1225 H H . VAL A 1 72 ? -25.912 12.9 -26.471 1.0 16.87 ? 62 A 1 +ATOM 1226 H HA . VAL A 1 72 ? -25.719 12.331 -29.099 1.0 16.35 ? 62 A 1 +ATOM 1227 H HB . VAL A 1 72 ? -27.085 14.378 -27.729 1.0 18.04 ? 62 A 1 +ATOM 1228 H HG11 . VAL A 1 72 ? -28.306 14.677 -29.78 1.0 18.92 ? 62 A 1 +ATOM 1229 H HG12 . VAL A 1 72 ? -26.799 15.174 -29.847 1.0 18.92 ? 62 A 1 +ATOM 1230 H HG13 . VAL A 1 72 ? -27.203 13.777 -30.486 1.0 18.92 ? 62 A 1 +ATOM 1231 H HG21 . VAL A 1 72 ? -29.046 13.108 -28.28 1.0 20.89 ? 62 A 1 +ATOM 1232 H HG22 . VAL A 1 72 ? -28.078 11.934 -28.735 1.0 20.89 ? 62 A 1 +ATOM 1233 H HG23 . VAL A 1 72 ? -28.104 12.397 -27.216 1.0 20.89 ? 62 A 1 +ATOM 1234 N N . CYS A 1 73 ? -24.05 13.958 -29.939 1.0 14.41 ? 63 A 1 +ATOM 1235 C CA . CYS A 1 73 ? -23.058 14.927 -30.335 1.0 15.16 ? 63 A 1 +ATOM 1236 C C . CYS A 1 73 ? -23.191 15.293 -31.811 1.0 14.66 ? 63 A 1 +ATOM 1237 O O . CYS A 1 73 ? -23.315 14.421 -32.684 1.0 15.26 ? 63 A 1 +ATOM 1238 C CB . CYS A 1 73 ? -21.603 14.453 -30.095 1.0 15.02 ? 63 A 1 +ATOM 1239 S SG . CYS A 1 73 ? -20.438 15.815 -30.213 1.0 14.48 ? 63 A 1 +ATOM 1240 H H . CYS A 1 73 ? -24.209 13.344 -30.519 1.0 17.3 ? 63 A 1 +ATOM 1241 H HA . CYS A 1 73 ? -23.228 15.717 -29.799 1.0 18.2 ? 63 A 1 +ATOM 1242 H HB2 . CYS A 1 73 ? -21.535 14.067 -29.207 1.0 18.03 ? 63 A 1 +ATOM 1243 H HB3 . CYS A 1 73 ? -21.368 13.79 -30.763 1.0 18.03 ? 63 A 1 +ATOM 1244 N N . ARG A 1 74 ? -23.11 16.59 -32.083 1.0 14.8 ? 64 A 1 +ATOM 1245 C CA . ARG A 1 74 ? -23.112 17.116 -33.441 1.0 14.81 ? 64 A 1 +ATOM 1246 C C . ARG A 1 74 ? -21.765 17.0 -34.127 1.0 14.23 ? 64 A 1 +ATOM 1247 O O . ARG A 1 74 ? -21.734 17.159 -35.365 1.0 15.88 ? 64 A 1 +ATOM 1248 C CB . ARG A 1 74 ? -23.569 18.578 -33.425 1.0 15.63 ? 64 A 1 +ATOM 1249 C CG . ARG A 1 74 ? -22.613 19.534 -32.785 1.0 15.45 ? 64 A 1 +ATOM 1250 C CD . ARG A 1 74 ? -23.148 20.904 -32.679 1.0 16.92 ? 64 A 1 +ATOM 1251 N NE . ARG A 1 74 ? -22.25 21.772 -31.947 1.0 16.51 ? 64 A 1 +ATOM 1252 C CZ . ARG A 1 74 ? -22.364 23.092 -31.867 1.0 19.43 ? 64 A 1 +ATOM 1253 N NH1 . ARG A 1 74 ? -23.37 23.744 -32.489 1.0 21.87 ? 64 A 1 +ATOM 1254 N NH2 . ARG A 1 74 ? -21.43 23.778 -31.212 1.0 19.85 ? 64 A 1 +ATOM 1255 H H . ARG A 1 74 ? -23.053 17.203 -31.482 1.0 17.76 ? 64 A 1 +ATOM 1256 H HA . ARG A 1 74 ? -23.746 16.611 -33.973 1.0 17.78 ? 64 A 1 +ATOM 1257 H HB2 . ARG A 1 74 ? -23.699 18.868 -34.342 1.0 18.75 ? 64 A 1 +ATOM 1258 H HB3 . ARG A 1 74 ? -24.405 18.632 -32.937 1.0 18.75 ? 64 A 1 +ATOM 1259 H HG2 . ARG A 1 74 ? -22.41 19.224 -31.888 1.0 18.54 ? 64 A 1 +ATOM 1260 H HG3 . ARG A 1 74 ? -21.801 19.571 -33.314 1.0 18.54 ? 64 A 1 +ATOM 1261 H HD2 . ARG A 1 74 ? -23.268 21.271 -33.569 1.0 20.3 ? 64 A 1 +ATOM 1262 H HD3 . ARG A 1 74 ? -23.998 20.881 -32.213 1.0 20.3 ? 64 A 1 +ATOM 1263 H HE . ARG A 1 74 ? -21.592 21.405 -31.532 1.0 19.81 ? 64 A 1 +ATOM 1264 H HH11 . ARG A 1 74 ? -23.95 23.304 -32.946 1.0 26.24 ? 64 A 1 +ATOM 1265 H HH12 . ARG A 1 74 ? -23.43 24.6 -32.427 1.0 26.24 ? 64 A 1 +ATOM 1266 H HH21 . ARG A 1 74 ? -20.769 23.365 -30.849 1.0 23.83 ? 64 A 1 +ATOM 1267 H HH22 . ARG A 1 74 ? -21.489 24.633 -31.15 1.0 23.83 ? 64 A 1 +ATOM 1268 N N . LYS A 1 75 ? -20.685 16.745 -33.422 1.0 14.49 ? 65 A 1 +ATOM 1269 C CA . LYS A 1 75 ? -19.337 16.659 -33.993 1.0 15.88 ? 65 A 1 +ATOM 1270 C C . LYS A 1 75 ? -18.981 15.206 -34.331 1.0 14.27 ? 65 A 1 +ATOM 1271 O O . LYS A 1 75 ? -19.759 14.266 -34.097 1.0 15.73 ? 65 A 1 +ATOM 1272 C CB . LYS A 1 75 ? -18.311 17.31 -33.064 1.0 15.35 ? 65 A 1 +ATOM 1273 C CG . LYS A 1 75 ? -18.335 18.848 -33.196 1.0 16.35 ? 65 A 1 +ATOM 1274 C CD . LYS A 1 75 ? -17.259 19.462 -32.282 1.0 16.49 ? 65 A 1 +ATOM 1275 C CE . LYS A 1 75 ? -16.984 20.949 -32.582 1.0 17.47 ? 65 A 1 +ATOM 1276 N NZ . LYS A 1 75 ? -18.213 21.791 -32.602 1.0 17.59 ? 65 A 1 +ATOM 1277 H H . LYS A 1 75 ? -20.695 16.612 -32.573 1.0 17.39 ? 65 A 1 +ATOM 1278 H HA . LYS A 1 75 ? -19.307 17.153 -34.827 1.0 19.06 ? 65 A 1 +ATOM 1279 H HB2 . LYS A 1 75 ? -18.516 17.077 -32.145 1.0 18.42 ? 65 A 1 +ATOM 1280 H HB3 . LYS A 1 75 ? -17.423 16.996 -33.295 1.0 18.42 ? 65 A 1 +ATOM 1281 H HG2 . LYS A 1 75 ? -18.149 19.102 -34.113 1.0 19.62 ? 65 A 1 +ATOM 1282 H HG3 . LYS A 1 75 ? -19.204 19.187 -32.928 1.0 19.62 ? 65 A 1 +ATOM 1283 H HD2 . LYS A 1 75 ? -17.552 19.394 -31.36 1.0 19.78 ? 65 A 1 +ATOM 1284 H HD3 . LYS A 1 75 ? -16.428 18.976 -32.403 1.0 19.78 ? 65 A 1 +ATOM 1285 H HE2 . LYS A 1 75 ? -16.394 21.302 -31.898 1.0 20.97 ? 65 A 1 +ATOM 1286 H HE3 . LYS A 1 75 ? -16.563 21.02 -33.453 1.0 20.97 ? 65 A 1 +ATOM 1287 H HZ1 . LYS A 1 75 ? -18.001 22.635 -32.788 1.0 21.11 ? 65 A 1 +ATOM 1288 H HZ2 . LYS A 1 75 ? -18.778 21.492 -33.221 1.0 21.11 ? 65 A 1 +ATOM 1289 H HZ3 . LYS A 1 75 ? -18.614 21.763 -31.807 1.0 21.11 ? 65 A 1 +ATOM 1290 N N . ASN A 1 76 ? -17.843 15.057 -34.982 1.0 15.29 ? 66 A 1 +ATOM 1291 C CA . ASN A 1 76 ? -17.449 13.775 -35.579 1.0 15.71 ? 66 A 1 +ATOM 1292 C C . ASN A 1 76 ? -15.965 13.479 -35.321 1.0 14.93 ? 66 A 1 +ATOM 1293 O O . ASN A 1 76 ? -15.285 12.912 -36.193 1.0 15.97 ? 66 A 1 +ATOM 1294 C CB . ASN A 1 76 ? -17.732 13.816 -37.091 1.0 15.52 ? 66 A 1 +ATOM 1295 C CG . ASN A 1 76 ? -18.064 12.449 -37.697 1.0 16.48 ? 66 A 1 +ATOM 1296 O OD1 . ASN A 1 76 ? -18.525 11.543 -37.025 1.0 16.62 ? 66 A 1 +ATOM 1297 N ND2 . ASN A 1 76 ? -17.797 12.305 -38.977 1.0 18.35 ? 66 A 1 +ATOM 1298 H H . ASN A 1 76 ? -17.269 15.687 -35.098 1.0 18.34 ? 66 A 1 +ATOM 1299 H HA . ASN A 1 76 ? -17.955 13.058 -35.166 1.0 18.85 ? 66 A 1 +ATOM 1300 H HB2 . ASN A 1 76 ? -18.488 14.402 -37.251 1.0 18.62 ? 66 A 1 +ATOM 1301 H HB3 . ASN A 1 76 ? -16.946 14.158 -37.546 1.0 18.62 ? 66 A 1 +ATOM 1302 H HD21 . ASN A 1 76 ? -17.963 11.558 -39.37 1.0 22.02 ? 66 A 1 +ATOM 1303 H HD22 . ASN A 1 76 ? -17.456 12.958 -39.421 1.0 22.02 ? 66 A 1 +ATOM 1304 N N . CYS A 1 77 ? -15.457 13.838 -34.14 1.0 14.33 ? 67 A 1 +ATOM 1305 C CA . CYS A 1 77 ? -14.054 13.619 -33.832 1.0 13.89 ? 67 A 1 +ATOM 1306 C C . CYS A 1 77 ? -13.665 12.175 -34.108 1.0 14.31 ? 67 A 1 +ATOM 1307 O O . CYS A 1 77 ? -14.381 11.248 -33.721 1.0 15.41 ? 67 A 1 +ATOM 1308 C CB . CYS A 1 77 ? -13.769 13.993 -32.387 1.0 13.78 ? 67 A 1 +ATOM 1309 S SG . CYS A 1 77 ? -14.334 15.672 -31.912 1.0 15.24 ? 67 A 1 +ATOM 1310 H H . CYS A 1 77 ? -15.906 14.207 -33.506 1.0 17.19 ? 67 A 1 +ATOM 1311 H HA . CYS A 1 77 ? -13.505 14.186 -34.395 1.0 16.67 ? 67 A 1 +ATOM 1312 H HB2 . CYS A 1 77 ? -14.219 13.358 -31.809 1.0 16.54 ? 67 A 1 +ATOM 1313 H HB3 . CYS A 1 77 ? -12.811 13.954 -32.241 1.0 16.54 ? 67 A 1 +ATOM 1314 N N . LEU A 1 78 ? -12.509 11.989 -34.738 1.0 14.47 ? 68 A 1 +ATOM 1315 C CA . LEU A 1 78 ? -12.139 10.668 -35.238 1.0 15.23 ? 68 A 1 +ATOM 1316 C C . LEU A 1 78 ? -11.861 9.688 -34.124 1.0 15.3 ? 68 A 1 +ATOM 1317 O O . LEU A 1 78 ? -11.983 8.489 -34.319 1.0 15.55 ? 68 A 1 +ATOM 1318 C CB . LEU A 1 78 ? -10.916 10.73 -36.172 1.0 15.24 ? 68 A 1 +ATOM 1319 C CG . LEU A 1 78 ? -11.251 10.982 -37.646 1.0 18.47 ? 68 A 1 +ATOM 1320 C CD1 . LEU A 1 78 ? -11.939 12.314 -37.89 1.0 20.04 ? 68 A 1 +ATOM 1321 C CD2 . LEU A 1 78 ? -10.004 10.867 -38.518 1.0 18.49 ? 68 A 1 +ATOM 1322 H H . LEU A 1 78 ? -11.927 12.603 -34.889 1.0 17.37 ? 68 A 1 +ATOM 1323 H HA . LEU A 1 78 ? -12.894 10.348 -35.756 1.0 18.28 ? 68 A 1 +ATOM 1324 H HB2 . LEU A 1 78 ? -10.339 11.45 -35.875 1.0 18.29 ? 68 A 1 +ATOM 1325 H HB3 . LEU A 1 78 ? -10.445 9.884 -36.119 1.0 18.29 ? 68 A 1 +ATOM 1326 H HG . LEU A 1 78 ? -11.885 10.295 -37.906 1.0 22.16 ? 68 A 1 +ATOM 1327 H HD11 . LEU A 1 78 ? -12.12 12.407 -38.838 1.0 24.05 ? 68 A 1 +ATOM 1328 H HD12 . LEU A 1 78 ? -12.77 12.337 -37.39 1.0 24.05 ? 68 A 1 +ATOM 1329 H HD13 . LEU A 1 78 ? -11.355 13.03 -37.593 1.0 24.05 ? 68 A 1 +ATOM 1330 H HD21 . LEU A 1 78 ? -10.252 11.015 -39.444 1.0 22.19 ? 68 A 1 +ATOM 1331 H HD22 . LEU A 1 78 ? -9.36 11.535 -38.237 1.0 22.19 ? 68 A 1 +ATOM 1332 H HD23 . LEU A 1 78 ? -9.627 9.979 -38.414 1.0 22.19 ? 68 A 1 +ATOM 1333 N N . TYR A 1 79 ? -11.476 10.172 -32.961 1.0 14.81 ? 69 A 1 +ATOM 1334 C CA . TYR A 1 79 ? -11.12 9.296 -31.835 1.0 14.2 ? 69 A 1 +ATOM 1335 C C . TYR A 1 79 ? -12.317 8.868 -31.001 1.0 14.35 ? 69 A 1 +ATOM 1336 O O . TYR A 1 79 ? -12.185 7.929 -30.166 1.0 14.68 ? 69 A 1 +ATOM 1337 C CB . TYR A 1 79 ? -10.05 9.971 -30.967 1.0 14.19 ? 69 A 1 +ATOM 1338 C CG . TYR A 1 79 ? -10.389 11.418 -30.619 1.0 13.33 ? 69 A 1 +ATOM 1339 C CD1 . TYR A 1 79 ? -11.264 11.756 -29.596 1.0 14.16 ? 69 A 1 +ATOM 1340 C CD2 . TYR A 1 79 ? -9.779 12.463 -31.305 1.0 13.87 ? 69 A 1 +ATOM 1341 C CE1 . TYR A 1 79 ? -11.557 13.099 -29.308 1.0 13.38 ? 69 A 1 +ATOM 1342 C CE2 . TYR A 1 79 ? -10.066 13.749 -31.021 1.0 15.1 ? 69 A 1 +ATOM 1343 C CZ . TYR A 1 79 ? -10.934 14.087 -30.037 1.0 14.55 ? 69 A 1 +ATOM 1344 O OH . TYR A 1 79 ? -11.175 15.447 -29.804 1.0 16.65 ? 69 A 1 +ATOM 1345 H H . TYR A 1 79 ? -11.409 11.011 -32.785 1.0 17.78 ? 69 A 1 +ATOM 1346 H HA . TYR A 1 79 ? -10.726 8.478 -32.176 1.0 17.04 ? 69 A 1 +ATOM 1347 H HB2 . TYR A 1 79 ? -9.96 9.477 -30.137 1.0 17.03 ? 69 A 1 +ATOM 1348 H HB3 . TYR A 1 79 ? -9.208 9.969 -31.448 1.0 17.03 ? 69 A 1 +ATOM 1349 H HD1 . TYR A 1 79 ? -11.663 11.083 -29.093 1.0 16.99 ? 69 A 1 +ATOM 1350 H HD2 . TYR A 1 79 ? -9.161 12.271 -31.974 1.0 16.64 ? 69 A 1 +ATOM 1351 H HE1 . TYR A 1 79 ? -12.162 13.318 -28.636 1.0 16.05 ? 69 A 1 +ATOM 1352 H HE2 . TYR A 1 79 ? -9.656 14.423 -31.513 1.0 18.12 ? 69 A 1 +ATOM 1353 H HH . TYR A 1 79 ? -11.772 15.537 -29.221 1.0 19.98 ? 69 A 1 +ATOM 1354 N N . CYS A 1 80 ? -13.44 9.558 -31.052 1.0 13.93 ? 70 A 1 +ATOM 1355 C CA . CYS A 1 80 ? -14.444 9.474 -29.999 1.0 13.99 ? 70 A 1 +ATOM 1356 C C . CYS A 1 80 ? -15.599 8.564 -30.367 1.0 12.82 ? 70 A 1 +ATOM 1357 O O . CYS A 1 80 ? -16.193 8.71 -31.427 1.0 14.65 ? 70 A 1 +ATOM 1358 C CB . CYS A 1 80 ? -14.962 10.878 -29.743 1.0 14.33 ? 70 A 1 +ATOM 1359 S SG . CYS A 1 80 ? -16.178 10.968 -28.388 1.0 14.41 ? 70 A 1 +ATOM 1360 H H . CYS A 1 80 ? -13.651 10.09 -31.694 1.0 16.72 ? 70 A 1 +ATOM 1361 H HA . CYS A 1 80 ? -14.046 9.085 -29.204 1.0 16.79 ? 70 A 1 +ATOM 1362 H HB2 . CYS A 1 80 ? -14.213 11.45 -29.509 1.0 17.19 ? 70 A 1 +ATOM 1363 H HB3 . CYS A 1 80 ? -15.39 11.205 -30.549 1.0 17.19 ? 70 A 1 +ATOM 1364 N N . GLY A 1 81 ? -15.978 7.649 -29.451 1.0 13.51 ? 71 A 1 +ATOM 1365 C CA . GLY A 1 81 ? -17.103 6.788 -29.705 1.0 14.64 ? 71 A 1 +ATOM 1366 C C . GLY A 1 81 ? -18.435 7.519 -29.861 1.0 14.03 ? 71 A 1 +ATOM 1367 O O . GLY A 1 81 ? -19.379 6.932 -30.411 1.0 16.44 ? 71 A 1 +ATOM 1368 H H . GLY A 1 81 ? -15.593 7.525 -28.692 1.0 16.21 ? 71 A 1 +ATOM 1369 H HA2 . GLY A 1 81 ? -16.939 6.291 -30.522 1.0 17.57 ? 71 A 1 +ATOM 1370 H HA3 . GLY A 1 81 ? -17.191 6.163 -28.968 1.0 17.57 ? 71 A 1 +ATOM 1371 N N . LEU A 1 82 ? -18.542 8.764 -29.372 1.0 13.94 ? 72 A 1 +ATOM 1372 C CA . LEU A 1 82 ? -19.793 9.497 -29.512 1.0 14.29 ? 72 A 1 +ATOM 1373 C C . LEU A 1 82 ? -19.908 10.238 -30.829 1.0 14.57 ? 72 A 1 +ATOM 1374 O O . LEU A 1 82 ? -20.944 10.904 -31.084 1.0 15.22 ? 72 A 1 +ATOM 1375 C CB . LEU A 1 82 ? -20.003 10.504 -28.368 1.0 13.53 ? 72 A 1 +ATOM 1376 C CG . LEU A 1 82 ? -19.868 9.926 -26.962 1.0 17.76 ? 72 A 1 +ATOM 1377 C CD1 . LEU A 1 82 ? -20.347 10.991 -25.926 1.0 15.96 ? 72 A 1 +ATOM 1378 C CD2 . LEU A 1 82 ? -20.527 8.652 -26.782 1.0 20.61 ? 72 A 1 +ATOM 1379 H H . LEU A 1 82 ? -17.914 9.189 -28.965 1.0 16.73 ? 72 A 1 +ATOM 1380 H HA . LEU A 1 82 ? -20.505 8.841 -29.456 1.0 17.14 ? 72 A 1 +ATOM 1381 H HB2 . LEU A 1 82 ? -19.343 11.209 -28.457 1.0 16.24 ? 72 A 1 +ATOM 1382 H HB3 . LEU A 1 82 ? -20.896 10.873 -28.446 1.0 16.24 ? 72 A 1 +ATOM 1383 H HG . LEU A 1 82 ? -18.932 9.724 -26.805 1.0 21.31 ? 72 A 1 +ATOM 1384 H HD11 . LEU A 1 82 ? -20.244 10.631 -25.032 1.0 19.15 ? 72 A 1 +ATOM 1385 H HD12 . LEU A 1 82 ? -19.808 11.792 -26.024 1.0 19.15 ? 72 A 1 +ATOM 1386 H HD13 . LEU A 1 82 ? -21.279 11.198 -26.094 1.0 19.15 ? 72 A 1 +ATOM 1387 H HD21 . LEU A 1 82 ? -20.551 8.439 -25.836 1.0 24.73 ? 72 A 1 +ATOM 1388 H HD22 . LEU A 1 82 ? -21.431 8.712 -27.13 1.0 24.73 ? 72 A 1 +ATOM 1389 H HD23 . LEU A 1 82 ? -20.032 7.97 -27.263 1.0 24.73 ? 72 A 1 +ATOM 1390 N N . ARG A 1 83 ? -18.894 10.175 -31.672 1.0 13.87 ? 73 A 1 +ATOM 1391 C CA . ARG A 1 83 ? -18.962 10.878 -32.945 1.0 14.47 ? 73 A 1 +ATOM 1392 C C . ARG A 1 83 ? -20.258 10.555 -33.666 1.0 15.01 ? 73 A 1 +ATOM 1393 O O . ARG A 1 83 ? -20.778 9.445 -33.618 1.0 15.17 ? 73 A 1 +ATOM 1394 C CB . ARG A 1 83 ? -17.749 10.51 -33.799 1.0 14.25 ? 73 A 1 +ATOM 1395 C CG . ARG A 1 83 ? -17.697 9.063 -34.302 1.0 15.26 ? 73 A 1 +ATOM 1396 C CD . ARG A 1 83 ? -16.281 8.646 -34.728 1.0 14.85 ? 73 A 1 +ATOM 1397 N NE . ARG A 1 83 ? -15.746 9.59 -35.684 1.0 15.74 ? 73 A 1 +ATOM 1398 C CZ . ARG A 1 83 ? -15.89 9.532 -36.996 1.0 15.66 ? 73 A 1 +ATOM 1399 N NH1 . ARG A 1 83 ? -16.485 8.512 -37.58 1.0 16.69 ? 73 A 1 +ATOM 1400 N NH2 . ARG A 1 83 ? -15.342 10.484 -37.733 1.0 18.07 ? 73 A 1 +ATOM 1401 H H . ARG A 1 83 ? -18.165 9.739 -31.536 1.0 16.64 ? 73 A 1 +ATOM 1402 H HA . ARG A 1 83 ? -18.943 11.837 -32.797 1.0 17.37 ? 73 A 1 +ATOM 1403 H HB2 . ARG A 1 83 ? -17.742 11.085 -34.58 1.0 17.1 ? 73 A 1 +ATOM 1404 H HB3 . ARG A 1 83 ? -16.949 10.659 -33.271 1.0 17.1 ? 73 A 1 +ATOM 1405 H HG2 . ARG A 1 83 ? -17.986 8.469 -33.591 1.0 18.31 ? 73 A 1 +ATOM 1406 H HG3 . ARG A 1 83 ? -18.282 8.972 -35.07 1.0 18.31 ? 73 A 1 +ATOM 1407 H HD2 . ARG A 1 83 ? -15.7 8.627 -33.951 1.0 17.82 ? 73 A 1 +ATOM 1408 H HD3 . ARG A 1 83 ? -16.311 7.768 -35.141 1.0 17.82 ? 73 A 1 +ATOM 1409 H HE . ARG A 1 83 ? -15.294 10.251 -35.37 1.0 18.89 ? 73 A 1 +ATOM 1410 H HH11 . ARG A 1 83 ? -16.791 7.863 -37.106 1.0 20.03 ? 73 A 1 +ATOM 1411 H HH12 . ARG A 1 83 ? -16.567 8.495 -38.436 1.0 20.03 ? 73 A 1 +ATOM 1412 H HH21 . ARG A 1 83 ? -14.905 11.122 -37.356 1.0 21.68 ? 73 A 1 +ATOM 1413 H HH22 . ARG A 1 83 ? -15.422 10.466 -38.589 1.0 21.68 ? 73 A 1 +ATOM 1414 N N . ARG A 1 84 ? -20.794 11.553 -34.345 1.0 14.7 ? 74 A 1 +ATOM 1415 C CA . ARG A 1 84 ? -22.117 11.399 -34.938 1.0 16.31 ? 74 A 1 +ATOM 1416 C C . ARG A 1 84 ? -22.19 10.263 -35.952 1.0 17.61 ? 74 A 1 +ATOM 1417 O O . ARG A 1 84 ? -23.254 9.669 -36.119 1.0 17.79 ? 74 A 1 +ATOM 1418 C CB . ARG A 1 84 ? -22.572 12.714 -35.597 1.0 16.4 ? 74 A 1 +ATOM 1419 C CG . ARG A 1 84 ? -21.778 13.146 -36.79 1.0 18.14 ? 74 A 1 +ATOM 1420 C CD . ARG A 1 84 ? -22.313 14.448 -37.433 1.0 19.42 ? 74 A 1 +ATOM 1421 N NE . ARG A 1 84 ? -21.499 14.684 -38.618 1.0 19.31 ? 74 A 1 +ATOM 1422 C CZ . ARG A 1 84 ? -20.47 15.55 -38.675 1.0 18.91 ? 74 A 1 +ATOM 1423 N NH1 . ARG A 1 84 ? -20.164 16.363 -37.654 1.0 19.12 ? 74 A 1 +ATOM 1424 N NH2 . ARG A 1 84 ? -19.702 15.554 -39.792 1.0 19.61 ? 74 A 1 +ATOM 1425 H H . ARG A 1 84 ? -20.423 12.318 -34.477 1.0 17.64 ? 74 A 1 +ATOM 1426 H HA . ARG A 1 84 ? -22.731 11.187 -34.217 1.0 19.57 ? 74 A 1 +ATOM 1427 H HB2 . ARG A 1 84 ? -23.492 12.608 -35.885 1.0 19.68 ? 74 A 1 +ATOM 1428 H HB3 . ARG A 1 84 ? -22.51 13.422 -34.937 1.0 19.68 ? 74 A 1 +ATOM 1429 H HG2 . ARG A 1 84 ? -20.86 13.303 -36.518 1.0 21.76 ? 74 A 1 +ATOM 1430 H HG3 . ARG A 1 84 ? -21.81 12.446 -37.461 1.0 21.76 ? 74 A 1 +ATOM 1431 H HD2 . ARG A 1 84 ? -23.242 14.343 -37.691 1.0 23.3 ? 74 A 1 +ATOM 1432 H HD3 . ARG A 1 84 ? -22.221 15.194 -36.82 1.0 23.3 ? 74 A 1 +ATOM 1433 H HE . ARG A 1 84 ? -21.688 14.239 -39.33 1.0 23.17 ? 74 A 1 +ATOM 1434 H HH11 . ARG A 1 84 ? -20.631 16.341 -36.932 1.0 22.94 ? 74 A 1 +ATOM 1435 H HH12 . ARG A 1 84 ? -19.5 16.906 -37.721 1.0 22.94 ? 74 A 1 +ATOM 1436 H HH21 . ARG A 1 84 ? -19.879 15.014 -40.437 1.0 23.54 ? 74 A 1 +ATOM 1437 H HH22 . ARG A 1 84 ? -19.039 16.097 -39.856 1.0 23.54 ? 74 A 1 +ATOM 1438 N N . ASP A 1 85 ? -21.08 9.941 -36.615 1.0 16.53 ? 75 A 1 +ATOM 1439 C CA . ASP A 1 85 ? -21.121 8.846 -37.59 1.0 18.15 ? 75 A 1 +ATOM 1440 C C . ASP A 1 85 ? -21.168 7.458 -36.959 1.0 18.43 ? 75 A 1 +ATOM 1441 O O . ASP A 1 85 ? -21.384 6.484 -37.686 1.0 19.96 ? 75 A 1 +ATOM 1442 C CB . ASP A 1 85 ? -19.951 8.937 -38.567 1.0 17.92 ? 75 A 1 +ATOM 1443 C CG . ASP A 1 85 ? -20.131 9.955 -39.651 1.0 22.01 ? 75 A 1 +ATOM 1444 O OD1 . ASP A 1 85 ? -21.228 10.518 -39.746 1.0 23.76 ? 75 A 1 +ATOM 1445 O OD2 . ASP A 1 85 ? -19.163 10.122 -40.432 1.0 21.74 ? 75 A 1 +ATOM 1446 H H . ASP A 1 85 ? -20.317 10.325 -36.522 1.0 19.83 ? 75 A 1 +ATOM 1447 H HA . ASP A 1 85 ? -21.936 8.953 -38.106 1.0 21.78 ? 75 A 1 +ATOM 1448 H HB2 . ASP A 1 85 ? -19.151 9.173 -38.072 1.0 21.5 ? 75 A 1 +ATOM 1449 H HB3 . ASP A 1 85 ? -19.835 8.073 -38.993 1.0 21.5 ? 75 A 1 +ATOM 1450 N N . ASN A 1 86 ? -21.003 7.302 -35.672 1.0 18.38 ? 76 A 1 +ATOM 1451 C CA . ASN A 1 86 ? -21.101 5.984 -35.017 1.0 17.57 ? 76 A 1 +ATOM 1452 C C . ASN A 1 86 ? -22.558 5.644 -34.813 1.0 20.12 ? 76 A 1 +ATOM 1453 O O . ASN A 1 86 ? -23.203 6.083 -33.86 1.0 20.09 ? 76 A 1 +ATOM 1454 C CB . ASN A 1 86 ? -20.365 5.984 -33.695 1.0 17.52 ? 76 A 1 +ATOM 1455 C CG . ASN A 1 86 ? -20.488 4.657 -32.986 1.0 19.65 ? 76 A 1 +ATOM 1456 O OD1 . ASN A 1 86 ? -20.999 3.673 -33.586 1.0 22.43 ? 76 A 1 +ATOM 1457 N ND2 . ASN A 1 86 ? -20.082 4.594 -31.751 1.0 18.76 ? 76 A 1 +ATOM 1458 H H . ASN A 1 86 ? -20.83 7.946 -35.129 1.0 22.05 ? 76 A 1 +ATOM 1459 H HA . ASN A 1 86 ? -20.705 5.32 -35.603 1.0 21.09 ? 76 A 1 +ATOM 1460 H HB2 . ASN A 1 86 ? -19.424 6.159 -33.852 1.0 21.03 ? 76 A 1 +ATOM 1461 H HB3 . ASN A 1 86 ? -20.739 6.671 -33.121 1.0 21.03 ? 76 A 1 +ATOM 1462 H HD21 . ASN A 1 86 ? -20.138 3.854 -31.318 1.0 22.52 ? 76 A 1 +ATOM 1463 H HD22 . ASN A 1 86 ? -19.759 5.293 -31.369 1.0 22.52 ? 76 A 1 +ATOM 1464 N N . LYS A 1 87 ? -23.133 4.904 -35.747 1.0 20.15 ? 77 A 1 +ATOM 1465 C CA . LYS A 1 87 ? -24.521 4.505 -35.635 1.0 22.31 ? 77 A 1 +ATOM 1466 C C . LYS A 1 87 ? -24.721 3.262 -34.775 1.0 21.09 ? 77 A 1 +ATOM 1467 O O . LYS A 1 87 ? -25.875 2.879 -34.567 1.0 28.77 ? 77 A 1 +ATOM 1468 C CB . LYS A 1 87 ? -25.125 4.283 -37.033 1.0 26.86 ? 77 A 1 +ATOM 1469 C CG . LYS A 1 87 ? -24.921 5.409 -37.985 1.0 27.3 ? 77 A 1 +ATOM 1470 C CD . LYS A 1 87 ? -25.397 6.763 -37.475 1.0 63.69 ? 77 A 1 +ATOM 1471 C CE . LYS A 1 87 ? -25.074 7.879 -38.475 1.0 84.3 ? 77 A 1 +ATOM 1472 N NZ . LYS A 1 87 ? -25.661 9.193 -38.086 1.0 76.04 ? 77 A 1 +ATOM 1473 H H . LYS A 1 87 ? -22.739 4.62 -36.457 1.0 24.18 ? 77 A 1 +ATOM 1474 H HA . LYS A 1 87 ? -25.015 5.227 -35.216 1.0 26.77 ? 77 A 1 +ATOM 1475 H HB2 . LYS A 1 87 ? -24.717 3.494 -37.422 1.0 32.23 ? 77 A 1 +ATOM 1476 H HB3 . LYS A 1 87 ? -26.081 4.15 -36.938 1.0 32.23 ? 77 A 1 +ATOM 1477 H HG2 . LYS A 1 87 ? -23.973 5.486 -38.176 1.0 32.76 ? 77 A 1 +ATOM 1478 H HG3 . LYS A 1 87 ? -25.409 5.217 -38.802 1.0 32.76 ? 77 A 1 +ATOM 1479 H HD2 . LYS A 1 87 ? -26.358 6.738 -37.344 1.0 76.43 ? 77 A 1 +ATOM 1480 H HD3 . LYS A 1 87 ? -24.953 6.965 -36.636 1.0 76.43 ? 77 A 1 +ATOM 1481 H HE2 . LYS A 1 87 ? -24.111 7.985 -38.53 1.0 101.16 ? 77 A 1 +ATOM 1482 H HE3 . LYS A 1 87 ? -25.43 7.637 -39.344 1.0 101.16 ? 77 A 1 +ATOM 1483 H HZ1 . LYS A 1 87 ? -25.444 9.813 -38.686 1.0 91.25 ? 77 A 1 +ATOM 1484 H HZ2 . LYS A 1 87 ? -26.548 9.13 -38.044 1.0 91.25 ? 77 A 1 +ATOM 1485 H HZ3 . LYS A 1 87 ? -25.351 9.441 -37.29 1.0 91.25 ? 77 A 1 +ATOM 1486 N N A ASN A 1 88 ? -23.665 2.597 -34.297 0.5 25.78 ? 78 A 1 +ATOM 1487 N N B ASN A 1 88 ? -23.62 2.631 -34.295 0.5 18.86 ? 78 A 1 +ATOM 1488 C CA A ASN A 1 88 ? -23.857 1.389 -33.476 0.5 22.56 ? 78 A 1 +ATOM 1489 C CA B ASN A 1 88 ? -23.63 1.427 -33.458 0.5 23.5 ? 78 A 1 +ATOM 1490 C C A ASN A 1 88 ? -24.401 1.764 -32.088 0.5 21.89 ? 78 A 1 +ATOM 1491 C C B ASN A 1 88 ? -23.695 1.752 -31.968 0.5 23.67 ? 78 A 1 +ATOM 1492 O O A ASN A 1 88 ? -25.16 1.005 -31.472 0.5 28.45 ? 78 A 1 +ATOM 1493 O O B ASN A 1 88 ? -23.135 1.016 -31.149 0.5 28.08 ? 78 A 1 +ATOM 1494 C CB A ASN A 1 88 ? -22.504 0.648 -33.422 0.5 23.87 ? 78 A 1 +ATOM 1495 C CB B ASN A 1 88 ? -22.361 0.591 -33.667 0.5 31.48 ? 78 A 1 +ATOM 1496 C CG A ASN A 1 88 ? -22.593 -0.811 -32.996 0.5 29.29 ? 78 A 1 +ATOM 1497 C CG B ASN A 1 88 ? -22.286 -0.061 -35.017 0.5 33.48 ? 78 A 1 +ATOM 1498 O OD1 A ASN A 1 88 ? -23.619 -1.461 -33.129 0.5 30.1 ? 78 A 1 +ATOM 1499 O OD1 B ASN A 1 88 ? -23.304 -0.253 -35.687 0.5 41.53 ? 78 A 1 +ATOM 1500 N ND2 A ASN A 1 88 ? -21.459 -1.347 -32.532 0.5 28.16 ? 78 A 1 +ATOM 1501 N ND2 B ASN A 1 88 ? -21.067 -0.426 -35.422 0.5 40.74 ? 78 A 1 +ATOM 1502 H H A ASN A 1 88 ? -22.844 2.815 -34.428 0.5 30.93 ? 78 A 1 +ATOM 1503 H H B ASN A 1 88 ? -22.82 2.904 -34.455 0.5 22.64 ? 78 A 1 +ATOM 1504 H HA A ASN A 1 88 ? -24.507 0.779 -33.859 0.5 27.08 ? 78 A 1 +ATOM 1505 H HA B ASN A 1 88 ? -24.407 0.914 -33.732 0.5 28.19 ? 78 A 1 +ATOM 1506 H HB2 A ASN A 1 88 ? -22.105 0.67 -34.306 0.5 28.64 ? 78 A 1 +ATOM 1507 H HB2 B ASN A 1 88 ? -21.587 1.168 -33.574 0.5 37.78 ? 78 A 1 +ATOM 1508 H HB3 A ASN A 1 88 ? -21.928 1.103 -32.787 0.5 28.64 ? 78 A 1 +ATOM 1509 H HB3 B ASN A 1 88 ? -22.335 -0.111 -32.998 0.5 37.78 ? 78 A 1 +ATOM 1510 H HD21 A ASN A 1 88 ? -21.445 -2.168 -32.275 0.5 33.8 ? 78 A 1 +ATOM 1511 H HD21 B ASN A 1 88 ? -20.963 -0.804 -36.188 0.5 48.88 ? 78 A 1 +ATOM 1512 H HD22 A ASN A 1 88 ? -20.744 -0.871 -32.489 0.5 33.8 ? 78 A 1 +ATOM 1513 H HD22 B ASN A 1 88 ? -20.385 -0.283 -34.918 0.5 48.88 ? 78 A 1 +ATOM 1514 N N A LEU A 1 89 ? -24.096 2.948 -31.62 0.41 25.62 ? 79 A 1 +ATOM 1515 N N B LEU A 1 89 ? -24.305 2.866 -31.603 0.59 21.49 ? 79 A 1 +ATOM 1516 C CA A LEU A 1 89 ? -24.366 3.305 -30.24 0.41 19.82 ? 79 A 1 +ATOM 1517 C CA B LEU A 1 89 ? -24.377 3.295 -30.211 0.59 20.75 ? 79 A 1 +ATOM 1518 C C A LEU A 1 89 ? -25.819 3.749 -30.034 0.41 16.97 ? 79 A 1 +ATOM 1519 C C B LEU A 1 89 ? -25.766 3.837 -29.956 0.59 22.62 ? 79 A 1 +ATOM 1520 O O A LEU A 1 89 ? -26.38 4.497 -30.839 0.41 20.31 ? 79 A 1 +ATOM 1521 O O B LEU A 1 89 ? -26.188 4.778 -30.646 0.59 21.0 ? 79 A 1 +ATOM 1522 C CB . LEU A 1 89 ? -23.384 4.415 -29.919 1.0 20.59 ? 79 A 1 +ATOM 1523 C CG . LEU A 1 89 ? -23.366 4.875 -28.459 1.0 20.2 ? 79 A 1 +ATOM 1524 C CD1 . LEU A 1 89 ? -22.958 3.73 -27.503 1.0 21.62 ? 79 A 1 +ATOM 1525 C CD2 . LEU A 1 89 ? -22.428 6.025 -28.346 1.0 20.41 ? 79 A 1 +ATOM 1526 H H A LEU A 1 89 ? -23.728 3.573 -32.081 0.5 30.75 ? 79 A 1 +ATOM 1527 H H B LEU A 1 89 ? -24.694 3.403 -32.151 0.5 25.79 ? 79 A 1 +ATOM 1528 H HA A LEU A 1 89 ? -24.257 2.555 -29.634 0.41 23.79 ? 79 A 1 +ATOM 1529 H HA B LEU A 1 89 ? -24.192 2.532 -29.642 0.59 24.9 ? 79 A 1 +ATOM 1530 H HB2 A LEU A 1 89 ? -22.491 4.104 -30.135 0.41 24.7 ? 79 A 1 +ATOM 1531 H HB2 B LEU A 1 89 ? -22.493 4.103 -30.14 0.59 24.7 ? 79 A 1 +ATOM 1532 H HB3 A LEU A 1 89 ? -23.608 5.186 -30.463 0.41 24.7 ? 79 A 1 +ATOM 1533 H HB3 B LEU A 1 89 ? -23.613 5.182 -30.466 0.59 24.7 ? 79 A 1 +ATOM 1534 H HG . LEU A 1 89 ? -24.256 5.148 -28.188 1.0 24.24 ? 79 A 1 +ATOM 1535 H HD11 . LEU A 1 89 ? -22.819 4.095 -26.615 1.0 25.94 ? 79 A 1 +ATOM 1536 H HD12 . LEU A 1 89 ? -23.668 3.069 -27.482 1.0 25.94 ? 79 A 1 +ATOM 1537 H HD13 . LEU A 1 89 ? -22.139 3.325 -27.827 1.0 25.94 ? 79 A 1 +ATOM 1538 H HD21 . LEU A 1 89 ? -22.401 6.321 -27.423 1.0 24.49 ? 79 A 1 +ATOM 1539 H HD22 . LEU A 1 89 ? -21.544 5.741 -28.628 1.0 24.49 ? 79 A 1 +ATOM 1540 H HD23 . LEU A 1 89 ? -22.741 6.745 -28.916 1.0 24.49 ? 79 A 1 +ATOM 1541 N N . LYS A 1 90 ? -26.444 3.292 -28.952 1.0 19.55 ? 80 A 1 +ATOM 1542 C CA . LYS A 1 90 ? -27.749 3.816 -28.57 1.0 19.16 ? 80 A 1 +ATOM 1543 C C . LYS A 1 90 ? -27.542 5.194 -27.911 1.0 17.18 ? 80 A 1 +ATOM 1544 O O . LYS A 1 90 ? -26.717 5.379 -27.034 1.0 17.73 ? 80 A 1 +ATOM 1545 C CB . LYS A 1 90 ? -28.427 2.855 -27.586 1.0 20.38 ? 80 A 1 +ATOM 1546 C CG . LYS A 1 90 ? -29.758 3.355 -27.028 1.0 27.39 ? 80 A 1 +ATOM 1547 C CD . LYS A 1 90 ? -30.847 3.366 -28.04 1.0 68.87 ? 80 A 1 +ATOM 1548 C CE . LYS A 1 90 ? -32.201 3.651 -27.4 1.0 54.25 ? 80 A 1 +ATOM 1549 N NZ . LYS A 1 90 ? -33.222 3.847 -28.464 1.0 93.55 ? 80 A 1 +ATOM 1550 H HA . LYS A 1 90 ? -28.325 3.908 -29.345 1.0 22.99 ? 80 A 1 +ATOM 1551 H HB2 . LYS A 1 90 ? -28.597 2.015 -28.04 1.0 24.45 ? 80 A 1 +ATOM 1552 H HB3 . LYS A 1 90 ? -27.83 2.711 -26.834 1.0 24.45 ? 80 A 1 +ATOM 1553 H HG2 . LYS A 1 90 ? -30.033 2.775 -26.3 1.0 32.86 ? 80 A 1 +ATOM 1554 H HG3 . LYS A 1 90 ? -29.643 4.262 -26.704 1.0 32.86 ? 80 A 1 +ATOM 1555 H HD2 . LYS A 1 90 ? -30.669 4.057 -28.697 1.0 82.65 ? 80 A 1 +ATOM 1556 H HD3 . LYS A 1 90 ? -30.892 2.5 -28.474 1.0 82.65 ? 80 A 1 +ATOM 1557 H HE2 . LYS A 1 90 ? -32.467 2.901 -26.845 1.0 65.1 ? 80 A 1 +ATOM 1558 H HE3 . LYS A 1 90 ? -32.148 4.458 -26.864 1.0 65.1 ? 80 A 1 +ATOM 1559 H HZ1 . LYS A 1 90 ? -34.016 4.009 -28.097 1.0 112.27 ? 80 A 1 +ATOM 1560 H HZ2 . LYS A 1 90 ? -32.996 4.537 -28.979 1.0 112.27 ? 80 A 1 +ATOM 1561 H HZ3 . LYS A 1 90 ? -33.28 3.117 -28.969 1.0 112.27 ? 80 A 1 +ATOM 1562 N N . ARG A 1 91 ? -28.304 6.176 -28.349 1.0 16.95 ? 81 A 1 +ATOM 1563 C CA . ARG A 1 91 ? -28.193 7.527 -27.832 1.0 16.38 ? 81 A 1 +ATOM 1564 C C . ARG A 1 91 ? -29.261 7.78 -26.774 1.0 16.3 ? 81 A 1 +ATOM 1565 O O . ARG A 1 91 ? -30.337 7.185 -26.774 1.0 18.37 ? 81 A 1 +ATOM 1566 C CB . ARG A 1 91 ? -28.31 8.5 -29.004 1.0 17.48 ? 81 A 1 +ATOM 1567 C CG . ARG A 1 91 ? -27.266 8.255 -30.107 1.0 18.08 ? 81 A 1 +ATOM 1568 C CD . ARG A 1 91 ? -25.897 8.677 -29.715 1.0 18.13 ? 81 A 1 +ATOM 1569 N NE . ARG A 1 91 ? -24.977 8.354 -30.825 1.0 17.18 ? 81 A 1 +ATOM 1570 C CZ . ARG A 1 91 ? -23.824 8.933 -31.028 1.0 17.88 ? 81 A 1 +ATOM 1571 N NH1 . ARG A 1 91 ? -23.393 9.904 -30.245 1.0 16.98 ? 81 A 1 +ATOM 1572 N NH2 . ARG A 1 91 ? -23.06 8.552 -32.077 1.0 18.16 ? 81 A 1 +ATOM 1573 H H . ARG A 1 91 ? -28.906 6.085 -28.957 1.0 20.35 ? 81 A 1 +ATOM 1574 H HA . ARG A 1 91 ? -27.342 7.674 -27.391 1.0 19.66 ? 81 A 1 +ATOM 1575 H HB2 . ARG A 1 91 ? -29.19 8.408 -29.402 1.0 20.97 ? 81 A 1 +ATOM 1576 H HB3 . ARG A 1 91 ? -28.189 9.404 -28.675 1.0 20.97 ? 81 A 1 +ATOM 1577 H HG2 . ARG A 1 91 ? -27.238 7.306 -30.31 1.0 21.69 ? 81 A 1 +ATOM 1578 H HG3 . ARG A 1 91 ? -27.518 8.756 -30.898 1.0 21.69 ? 81 A 1 +ATOM 1579 H HD2 . ARG A 1 91 ? -25.877 9.634 -29.552 1.0 21.76 ? 81 A 1 +ATOM 1580 H HD3 . ARG A 1 91 ? -25.616 8.2 -28.918 1.0 21.76 ? 81 A 1 +ATOM 1581 H HE . ARG A 1 91 ? -25.218 7.741 -31.377 1.0 20.62 ? 81 A 1 +ATOM 1582 H HH11 . ARG A 1 91 ? -23.875 10.169 -29.583 1.0 20.37 ? 81 A 1 +ATOM 1583 H HH12 . ARG A 1 91 ? -22.63 10.272 -30.396 1.0 20.37 ? 81 A 1 +ATOM 1584 H HH21 . ARG A 1 91 ? -23.334 7.932 -32.606 1.0 21.79 ? 81 A 1 +ATOM 1585 H HH22 . ARG A 1 91 ? -22.3 8.93 -32.215 1.0 21.79 ? 81 A 1 +ATOM 1586 N N . TYR A 1 92 ? -28.919 8.672 -25.85 1.0 15.62 ? 82 A 1 +ATOM 1587 C CA . TYR A 1 92 ? -29.819 9.028 -24.769 1.0 15.92 ? 82 A 1 +ATOM 1588 C C . TYR A 1 92 ? -29.619 10.489 -24.401 1.0 14.19 ? 82 A 1 +ATOM 1589 O O . TYR A 1 92 ? -28.598 11.122 -24.662 1.0 14.75 ? 82 A 1 +ATOM 1590 C CB . TYR A 1 92 ? -29.522 8.187 -23.478 1.0 14.89 ? 82 A 1 +ATOM 1591 C CG . TYR A 1 92 ? -28.219 8.54 -22.795 1.0 14.99 ? 82 A 1 +ATOM 1592 C CD1 . TYR A 1 92 ? -27.031 7.891 -23.142 1.0 15.54 ? 82 A 1 +ATOM 1593 C CD2 . TYR A 1 92 ? -28.145 9.526 -21.815 1.0 15.45 ? 82 A 1 +ATOM 1594 C CE1 . TYR A 1 92 ? -25.829 8.206 -22.543 1.0 14.69 ? 82 A 1 +ATOM 1595 C CE2 . TYR A 1 92 ? -26.927 9.887 -21.215 1.0 13.92 ? 82 A 1 +ATOM 1596 C CZ . TYR A 1 92 ? -25.778 9.216 -21.569 1.0 14.31 ? 82 A 1 +ATOM 1597 O OH . TYR A 1 92 ? -24.555 9.481 -21.008 1.0 14.7 ? 82 A 1 +ATOM 1598 H H . TYR A 1 92 ? -28.166 9.085 -25.831 1.0 18.74 ? 82 A 1 +ATOM 1599 H HA . TYR A 1 92 ? -30.728 8.882 -25.077 1.0 19.11 ? 82 A 1 +ATOM 1600 H HB2 . TYR A 1 92 ? -30.238 8.334 -22.84 1.0 17.87 ? 82 A 1 +ATOM 1601 H HB3 . TYR A 1 92 ? -29.482 7.249 -23.722 1.0 17.87 ? 82 A 1 +ATOM 1602 H HD1 . TYR A 1 92 ? -27.052 7.229 -23.795 1.0 18.65 ? 82 A 1 +ATOM 1603 H HD2 . TYR A 1 92 ? -28.924 9.959 -21.549 1.0 18.53 ? 82 A 1 +ATOM 1604 H HE1 . TYR A 1 92 ? -25.054 7.75 -22.784 1.0 17.63 ? 82 A 1 +ATOM 1605 H HE2 . TYR A 1 92 ? -26.897 10.571 -20.586 1.0 16.71 ? 82 A 1 +ATOM 1606 H HH . TYR A 1 92 ? -24.616 10.133 -20.481 1.0 17.64 ? 82 A 1 +ATOM 1607 N N . ARG A 1 93 ? -30.651 11.003 -23.745 1.0 15.64 ? 83 A 1 +ATOM 1608 C CA . ARG A 1 93 ? -30.632 12.292 -23.071 1.0 16.36 ? 83 A 1 +ATOM 1609 C C . ARG A 1 93 ? -31.374 12.172 -21.775 1.0 16.74 ? 83 A 1 +ATOM 1610 O O . ARG A 1 93 ? -32.48 11.657 -21.732 1.0 17.71 ? 83 A 1 +ATOM 1611 C CB . ARG A 1 93 ? -31.494 13.302 -23.869 1.0 22.41 ? 83 A 1 +ATOM 1612 C CG . ARG A 1 93 ? -30.876 13.75 -25.12 1.0 22.02 ? 83 A 1 +ATOM 1613 C CD . ARG A 1 93 ? -31.826 14.719 -25.785 1.0 22.22 ? 83 A 1 +ATOM 1614 N NE . ARG A 1 93 ? -31.118 15.293 -26.878 1.0 18.23 ? 83 A 1 +ATOM 1615 C CZ . ARG A 1 93 ? -31.615 15.475 -28.082 1.0 19.48 ? 83 A 1 +ATOM 1616 N NH1 . ARG A 1 93 ? -32.829 15.058 -28.405 1.0 20.36 ? 83 A 1 +ATOM 1617 N NH2 . ARG A 1 93 ? -30.874 16.069 -28.985 1.0 18.83 ? 83 A 1 +ATOM 1618 H H . ARG A 1 93 ? -31.41 10.605 -23.672 1.0 18.77 ? 83 A 1 +ATOM 1619 H HA . ARG A 1 93 ? -29.711 12.572 -22.95 1.0 19.64 ? 83 A 1 +ATOM 1620 H HB2 . ARG A 1 93 ? -32.34 12.883 -24.091 1.0 26.89 ? 83 A 1 +ATOM 1621 H HB3 . ARG A 1 93 ? -31.647 14.086 -23.318 1.0 26.89 ? 83 A 1 +ATOM 1622 H HG2 . ARG A 1 93 ? -30.036 14.199 -24.937 1.0 26.43 ? 83 A 1 +ATOM 1623 H HG3 . ARG A 1 93 ? -30.726 12.994 -25.709 1.0 26.43 ? 83 A 1 +ATOM 1624 H HD2 . ARG A 1 93 ? -32.611 14.255 -26.113 1.0 26.67 ? 83 A 1 +ATOM 1625 H HD3 . ARG A 1 93 ? -32.088 15.417 -25.164 1.0 26.67 ? 83 A 1 +ATOM 1626 H HE . ARG A 1 93 ? -30.305 15.539 -26.741 1.0 21.88 ? 83 A 1 +ATOM 1627 H HH11 . ARG A 1 93 ? -33.315 14.655 -27.821 1.0 24.43 ? 83 A 1 +ATOM 1628 H HH12 . ARG A 1 93 ? -33.132 15.189 -29.199 1.0 24.43 ? 83 A 1 +ATOM 1629 H HH21 . ARG A 1 93 ? -30.08 16.331 -28.784 1.0 22.59 ? 83 A 1 +ATOM 1630 H HH22 . ARG A 1 93 ? -31.182 16.197 -29.777 1.0 22.59 ? 83 A 1 +ATOM 1631 N N . MET A 1 94 ? -30.788 12.74 -20.714 1.0 15.23 ? 84 A 1 +ATOM 1632 C CA . MET A 1 94 ? -31.452 12.822 -19.399 1.0 15.13 ? 84 A 1 +ATOM 1633 C C . MET A 1 94 ? -32.308 14.07 -19.314 1.0 15.62 ? 84 A 1 +ATOM 1634 O O . MET A 1 94 ? -31.917 15.138 -19.811 1.0 16.74 ? 84 A 1 +ATOM 1635 C CB . MET A 1 94 ? -30.413 12.845 -18.289 1.0 14.98 ? 84 A 1 +ATOM 1636 C CG . MET A 1 94 ? -29.632 11.567 -18.21 1.0 15.5 ? 84 A 1 +ATOM 1637 S SD . MET A 1 94 ? -28.323 11.539 -16.929 1.0 15.81 ? 84 A 1 +ATOM 1638 C CE . MET A 1 94 ? -29.273 11.667 -15.41 1.0 16.82 ? 84 A 1 +ATOM 1639 H H . MET A 1 94 ? -30.002 13.088 -20.727 1.0 18.28 ? 84 A 1 +ATOM 1640 H HA . MET A 1 94 ? -32.017 12.043 -19.28 1.0 18.15 ? 84 A 1 +ATOM 1641 H HB2 . MET A 1 94 ? -29.79 13.57 -18.453 1.0 17.98 ? 84 A 1 +ATOM 1642 H HB3 . MET A 1 94 ? -30.86 12.979 -17.439 1.0 17.98 ? 84 A 1 +ATOM 1643 H HG2 . MET A 1 94 ? -30.247 10.843 -18.013 1.0 18.6 ? 84 A 1 +ATOM 1644 H HG3 . MET A 1 94 ? -29.204 11.415 -19.067 1.0 18.6 ? 84 A 1 +ATOM 1645 H HE1 . MET A 1 94 ? -28.666 11.633 -14.654 1.0 20.18 ? 84 A 1 +ATOM 1646 H HE2 . MET A 1 94 ? -29.756 12.508 -15.409 1.0 20.18 ? 84 A 1 +ATOM 1647 H HE3 . MET A 1 94 ? -29.898 10.926 -15.365 1.0 20.18 ? 84 A 1 +ATOM 1648 N N . THR A 1 95 ? -33.43 13.973 -18.637 1.0 17.11 ? 85 A 1 +ATOM 1649 C CA . THR A 1 95 ? -34.204 15.158 -18.413 1.0 16.78 ? 85 A 1 +ATOM 1650 C C . THR A 1 95 ? -33.522 16.062 -17.385 1.0 18.12 ? 85 A 1 +ATOM 1651 O O . THR A 1 95 ? -32.725 15.6 -16.557 1.0 17.78 ? 85 A 1 +ATOM 1652 C CB . THR A 1 95 ? -35.608 14.811 -17.893 1.0 18.59 ? 85 A 1 +ATOM 1653 O OG1 . THR A 1 95 ? -35.473 14.24 -16.592 1.0 19.1 ? 85 A 1 +ATOM 1654 C CG2 . THR A 1 95 ? -36.39 13.835 -18.775 1.0 20.46 ? 85 A 1 +ATOM 1655 H H . THR A 1 95 ? -33.754 13.248 -18.307 1.0 20.53 ? 85 A 1 +ATOM 1656 H HA . THR A 1 95 ? -34.288 15.63 -19.256 1.0 20.14 ? 85 A 1 +ATOM 1657 H HB . THR A 1 95 ? -36.126 15.631 -17.887 1.0 22.31 ? 85 A 1 +ATOM 1658 H HG1 . THR A 1 95 ? -35.815 14.75 -16.018 1.0 22.92 ? 85 A 1 +ATOM 1659 H HG21 . THR A 1 95 ? -37.261 13.661 -18.385 1.0 24.55 ? 85 A 1 +ATOM 1660 H HG22 . THR A 1 95 ? -36.511 14.212 -19.661 1.0 24.55 ? 85 A 1 +ATOM 1661 H HG23 . THR A 1 95 ? -35.906 12.998 -18.853 1.0 24.55 ? 85 A 1 +ATOM 1662 N N . PRO A 1 96 ? -33.929 17.326 -17.332 1.0 18.46 ? 86 A 1 +ATOM 1663 C CA . PRO A 1 96 ? -33.405 18.186 -16.265 1.0 19.91 ? 86 A 1 +ATOM 1664 C C . PRO A 1 96 ? -33.725 17.657 -14.881 1.0 21.3 ? 86 A 1 +ATOM 1665 O O . PRO A 1 96 ? -32.847 17.719 -13.998 1.0 20.85 ? 86 A 1 +ATOM 1666 C CB . PRO A 1 96 ? -34.046 19.553 -16.558 1.0 22.04 ? 86 A 1 +ATOM 1667 C CG . PRO A 1 96 ? -34.35 19.533 -18.042 1.0 23.86 ? 86 A 1 +ATOM 1668 C CD . PRO A 1 96 ? -34.649 18.111 -18.372 1.0 21.99 ? 86 A 1 +ATOM 1669 H HA . PRO A 1 96 ? -32.444 18.285 -16.35 1.0 23.89 ? 86 A 1 +ATOM 1670 H HB2 . PRO A 1 96 ? -34.859 19.655 -16.039 1.0 26.45 ? 86 A 1 +ATOM 1671 H HB3 . PRO A 1 96 ? -33.422 20.263 -16.341 1.0 26.45 ? 86 A 1 +ATOM 1672 H HG2 . PRO A 1 96 ? -35.117 20.097 -18.227 1.0 28.63 ? 86 A 1 +ATOM 1673 H HG3 . PRO A 1 96 ? -33.579 19.847 -18.539 1.0 28.63 ? 86 A 1 +ATOM 1674 H HD2 . PRO A 1 96 ? -35.603 17.944 -18.325 1.0 26.39 ? 86 A 1 +ATOM 1675 H HD3 . PRO A 1 96 ? -34.317 17.89 -19.256 1.0 26.39 ? 86 A 1 +ATOM 1676 N N . GLU A 1 97 ? -34.913 17.095 -14.678 1.0 20.88 ? 87 A 1 +ATOM 1677 C CA . GLU A 1 97 ? -35.248 16.53 -13.376 1.0 23.25 ? 87 A 1 +ATOM 1678 C C . GLU A 1 97 ? -34.32 15.384 -13.028 1.0 22.29 ? 87 A 1 +ATOM 1679 O O . GLU A 1 97 ? -33.896 15.249 -11.868 1.0 22.46 ? 87 A 1 +ATOM 1680 C CB . GLU A 1 97 ? -36.726 16.062 -13.378 1.0 24.95 ? 87 A 1 +ATOM 1681 C CG . GLU A 1 97 ? -37.172 15.456 -12.039 1.0 28.58 ? 87 A 1 +ATOM 1682 C CD . GLU A 1 97 ? -37.193 13.916 -11.941 1.0 45.22 ? 87 A 1 +ATOM 1683 O OE1 . GLU A 1 97 ? -37.011 13.143 -12.932 1.0 28.91 ? 87 A 1 +ATOM 1684 O OE2 . GLU A 1 97 ? -37.407 13.448 -10.804 1.0 52.28 ? 87 A 1 +ATOM 1685 H H . GLU A 1 97 ? -35.535 17.029 -15.269 1.0 25.06 ? 87 A 1 +ATOM 1686 H HA . GLU A 1 97 ? -35.146 17.214 -12.696 1.0 27.9 ? 87 A 1 +ATOM 1687 H HB2 . GLU A 1 97 ? -37.296 16.824 -13.565 1.0 29.94 ? 87 A 1 +ATOM 1688 H HB3 . GLU A 1 97 ? -36.839 15.385 -14.064 1.0 29.94 ? 87 A 1 +ATOM 1689 H HG2 . GLU A 1 97 ? -36.568 15.774 -11.349 1.0 34.3 ? 87 A 1 +ATOM 1690 H HG3 . GLU A 1 97 ? -38.074 15.762 -11.857 1.0 34.3 ? 87 A 1 +ATOM 1691 N N . GLU A 1 98 ? -34.071 14.482 -13.981 1.0 20.18 ? 88 A 1 +ATOM 1692 C CA . GLU A 1 98 ? -33.161 13.373 -13.714 1.0 19.89 ? 88 A 1 +ATOM 1693 C C . GLU A 1 98 ? -31.803 13.903 -13.314 1.0 18.11 ? 88 A 1 +ATOM 1694 O O . GLU A 1 98 ? -31.186 13.405 -12.387 1.0 18.98 ? 88 A 1 +ATOM 1695 C CB . GLU A 1 98 ? -33.014 12.467 -14.946 1.0 19.19 ? 88 A 1 +ATOM 1696 C CG . GLU A 1 98 ? -34.106 11.498 -15.15 1.0 21.43 ? 88 A 1 +ATOM 1697 C CD . GLU A 1 98 ? -33.849 10.736 -16.427 1.0 24.23 ? 88 A 1 +ATOM 1698 O OE1 . GLU A 1 98 ? -33.757 11.338 -17.533 1.0 22.3 ? 88 A 1 +ATOM 1699 O OE2 . GLU A 1 98 ? -33.855 9.489 -16.373 1.0 26.44 ? 88 A 1 +ATOM 1700 H H . GLU A 1 98 ? -34.409 14.491 -14.772 1.0 24.21 ? 88 A 1 +ATOM 1701 H HA . GLU A 1 98 ? -33.532 12.837 -12.996 1.0 23.87 ? 88 A 1 +ATOM 1702 H HB2 . GLU A 1 98 ? -32.975 13.028 -15.736 1.0 23.03 ? 88 A 1 +ATOM 1703 H HB3 . GLU A 1 98 ? -32.192 11.961 -14.857 1.0 23.03 ? 88 A 1 +ATOM 1704 H HG2 . GLU A 1 98 ? -34.137 10.873 -14.409 1.0 25.72 ? 88 A 1 +ATOM 1705 H HG3 . GLU A 1 98 ? -34.953 11.965 -15.226 1.0 25.72 ? 88 A 1 +ATOM 1706 N N . ILE A 1 99 ? -31.31 14.899 -14.045 1.0 16.94 ? 89 A 1 +ATOM 1707 C CA . ILE A 1 99 ? -29.969 15.431 -13.787 1.0 17.09 ? 89 A 1 +ATOM 1708 C C . ILE A 1 99 ? -29.89 16.103 -12.414 1.0 15.71 ? 89 A 1 +ATOM 1709 O O . ILE A 1 99 ? -28.961 15.853 -11.647 1.0 16.59 ? 89 A 1 +ATOM 1710 C CB . ILE A 1 99 ? -29.544 16.386 -14.905 1.0 15.41 ? 89 A 1 +ATOM 1711 C CG1 . ILE A 1 99 ? -29.521 15.7 -16.272 1.0 15.57 ? 89 A 1 +ATOM 1712 C CG2 . ILE A 1 99 ? -28.183 17.005 -14.57 1.0 15.85 ? 89 A 1 +ATOM 1713 C CD1 . ILE A 1 99 ? -29.507 16.642 -17.451 1.0 15.94 ? 89 A 1 +ATOM 1714 H H . ILE A 1 99 ? -31.725 15.283 -14.692 1.0 20.33 ? 89 A 1 +ATOM 1715 H HA . ILE A 1 99 ? -29.353 14.682 -13.777 1.0 20.5 ? 89 A 1 +ATOM 1716 H HB . ILE A 1 99 ? -30.208 17.091 -14.961 1.0 18.49 ? 89 A 1 +ATOM 1717 H HG12 . ILE A 1 99 ? -28.724 15.151 -16.328 1.0 18.69 ? 89 A 1 +ATOM 1718 H HG13 . ILE A 1 99 ? -30.313 15.145 -16.352 1.0 18.69 ? 89 A 1 +ATOM 1719 H HG21 . ILE A 1 99 ? -27.815 17.411 -15.371 1.0 19.02 ? 89 A 1 +ATOM 1720 H HG22 . ILE A 1 99 ? -28.303 17.679 -13.883 1.0 19.02 ? 89 A 1 +ATOM 1721 H HG23 . ILE A 1 99 ? -27.59 16.308 -14.249 1.0 19.02 ? 89 A 1 +ATOM 1722 H HD11 . ILE A 1 99 ? -29.593 16.127 -18.268 1.0 19.13 ? 89 A 1 +ATOM 1723 H HD12 . ILE A 1 99 ? -30.25 17.26 -17.37 1.0 19.13 ? 89 A 1 +ATOM 1724 H HD13 . ILE A 1 99 ? -28.669 17.131 -17.454 1.0 19.13 ? 89 A 1 +ATOM 1725 N N . VAL A 1 100 ? -30.836 16.987 -12.131 1.0 16.79 ? 90 A 1 +ATOM 1726 C CA . VAL A 1 100 ? -30.813 17.704 -10.843 1.0 17.53 ? 90 A 1 +ATOM 1727 C C . VAL A 1 100 ? -30.925 16.727 -9.695 1.0 17.23 ? 90 A 1 +ATOM 1728 O O . VAL A 1 100 ? -30.188 16.839 -8.684 1.0 17.2 ? 90 A 1 +ATOM 1729 C CB . VAL A 1 100 ? -31.91 18.774 -10.819 1.0 17.86 ? 90 A 1 +ATOM 1730 C CG1 . VAL A 1 100 ? -32.101 19.362 -9.426 1.0 19.56 ? 90 A 1 +ATOM 1731 C CG2 . VAL A 1 100 ? -31.616 19.875 -11.823 1.0 20.33 ? 90 A 1 +ATOM 1732 H H . VAL A 1 100 ? -31.492 17.192 -12.648 1.0 20.15 ? 90 A 1 +ATOM 1733 H HA . VAL A 1 100 ? -29.962 18.159 -10.746 1.0 21.04 ? 90 A 1 +ATOM 1734 H HB . VAL A 1 100 ? -32.743 18.343 -11.069 1.0 21.44 ? 90 A 1 +ATOM 1735 H HG11 . VAL A 1 100 ? -32.625 20.175 -9.496 1.0 23.47 ? 90 A 1 +ATOM 1736 H HG12 . VAL A 1 100 ? -32.566 18.716 -8.872 1.0 23.47 ? 90 A 1 +ATOM 1737 H HG13 . VAL A 1 100 ? -31.232 19.56 -9.045 1.0 23.47 ? 90 A 1 +ATOM 1738 H HG21 . VAL A 1 100 ? -32.33 20.53 -11.79 1.0 24.39 ? 90 A 1 +ATOM 1739 H HG22 . VAL A 1 100 ? -30.772 20.293 -11.594 1.0 24.39 ? 90 A 1 +ATOM 1740 H HG23 . VAL A 1 100 ? -31.563 19.487 -12.71 1.0 24.39 ? 90 A 1 +ATOM 1741 N N . GLU A 1 101 ? -31.857 15.771 -9.782 1.0 17.42 ? 91 A 1 +ATOM 1742 C CA . GLU A 1 101 ? -32.002 14.834 -8.655 1.0 19.21 ? 91 A 1 +ATOM 1743 C C . GLU A 1 101 ? -30.795 13.934 -8.482 1.0 18.69 ? 91 A 1 +ATOM 1744 O O . GLU A 1 101 ? -30.398 13.577 -7.36 1.0 19.18 ? 91 A 1 +ATOM 1745 C CB . GLU A 1 101 ? -33.324 14.059 -8.787 1.0 21.48 ? 91 A 1 +ATOM 1746 C CG . GLU A 1 101 ? -34.532 14.953 -8.603 1.0 25.57 ? 91 A 1 +ATOM 1747 C CD . GLU A 1 101 ? -34.43 15.831 -7.335 1.0 35.3 ? 91 A 1 +ATOM 1748 O OE1 . GLU A 1 101 ? -34.153 15.286 -6.237 1.0 28.5 ? 91 A 1 +ATOM 1749 O OE2 . GLU A 1 101 ? -34.551 17.071 -7.472 1.0 34.9 ? 91 A 1 +ATOM 1750 H H . GLU A 1 101 ? -32.391 15.647 -10.445 1.0 20.9 ? 91 A 1 +ATOM 1751 H HA . GLU A 1 101 ? -32.06 15.337 -7.828 1.0 23.05 ? 91 A 1 +ATOM 1752 H HB2 . GLU A 1 101 ? -33.373 13.662 -9.671 1.0 25.78 ? 91 A 1 +ATOM 1753 H HB3 . GLU A 1 101 ? -33.354 13.365 -8.11 1.0 25.78 ? 91 A 1 +ATOM 1754 H HG2 . GLU A 1 101 ? -34.612 15.54 -9.371 1.0 30.69 ? 91 A 1 +ATOM 1755 H HG3 . GLU A 1 101 ? -35.326 14.401 -8.524 1.0 30.69 ? 91 A 1 +ATOM 1756 N N . ARG A 1 102 ? -30.167 13.552 -9.581 1.0 17.85 ? 92 A 1 +ATOM 1757 C CA . ARG A 1 102 ? -28.951 12.768 -9.49 1.0 17.65 ? 92 A 1 +ATOM 1758 C C . ARG A 1 102 ? -27.815 13.566 -8.894 1.0 16.65 ? 92 A 1 +ATOM 1759 O O . ARG A 1 102 ? -27.04 13.053 -8.062 1.0 17.54 ? 92 A 1 +ATOM 1760 C CB . ARG A 1 102 ? -28.602 12.215 -10.868 1.0 17.86 ? 92 A 1 +ATOM 1761 C CG . ARG A 1 102 ? -27.485 11.262 -10.881 1.0 18.98 ? 92 A 1 +ATOM 1762 C CD . ARG A 1 102 ? -27.745 9.949 -10.188 1.0 19.95 ? 92 A 1 +ATOM 1763 N NE . ARG A 1 102 ? -26.622 9.087 -10.366 1.0 19.6 ? 92 A 1 +ATOM 1764 C CZ . ARG A 1 102 ? -26.511 7.851 -9.915 1.0 19.2 ? 92 A 1 +ATOM 1765 N NH1 . ARG A 1 102 ? -27.499 7.247 -9.294 1.0 21.48 ? 92 A 1 +ATOM 1766 N NH2 . ARG A 1 102 ? -25.399 7.229 -10.235 1.0 21.52 ? 92 A 1 +ATOM 1767 H H . ARG A 1 102 ? -30.421 13.73 -10.383 1.0 21.42 ? 92 A 1 +ATOM 1768 H HA . ARG A 1 102 ? -29.097 12.014 -8.897 1.0 21.18 ? 92 A 1 +ATOM 1769 H HB2 . ARG A 1 102 ? -29.38 11.757 -11.222 1.0 21.44 ? 92 A 1 +ATOM 1770 H HB3 . ARG A 1 102 ? -28.361 12.955 -11.446 1.0 21.44 ? 92 A 1 +ATOM 1771 H HG2 . ARG A 1 102 ? -27.264 11.062 -11.804 1.0 22.77 ? 92 A 1 +ATOM 1772 H HG3 . ARG A 1 102 ? -26.726 11.675 -10.44 1.0 22.77 ? 92 A 1 +ATOM 1773 H HD2 . ARG A 1 102 ? -27.878 10.099 -9.239 1.0 23.94 ? 92 A 1 +ATOM 1774 H HD3 . ARG A 1 102 ? -28.529 9.526 -10.571 1.0 23.94 ? 92 A 1 +ATOM 1775 H HE . ARG A 1 102 ? -25.955 9.401 -10.809 1.0 23.52 ? 92 A 1 +ATOM 1776 H HH11 . ARG A 1 102 ? -28.245 7.658 -9.172 1.0 25.77 ? 92 A 1 +ATOM 1777 H HH12 . ARG A 1 102 ? -27.4 6.442 -9.01 1.0 25.77 ? 92 A 1 +ATOM 1778 H HH21 . ARG A 1 102 ? -24.804 7.629 -10.709 1.0 25.83 ? 92 A 1 +ATOM 1779 H HH22 . ARG A 1 102 ? -25.266 6.421 -9.971 1.0 25.83 ? 92 A 1 +ATOM 1780 N N . ALA A 1 103 ? -27.717 14.828 -9.251 1.0 15.86 ? 93 A 1 +ATOM 1781 C CA . ALA A 1 103 ? -26.745 15.715 -8.631 1.0 15.06 ? 93 A 1 +ATOM 1782 C C . ALA A 1 103 ? -27.015 15.856 -7.142 1.0 16.83 ? 93 A 1 +ATOM 1783 O O . ALA A 1 103 ? -26.067 15.788 -6.347 1.0 16.4 ? 93 A 1 +ATOM 1784 C CB . ALA A 1 103 ? -26.761 17.09 -9.275 1.0 16.52 ? 93 A 1 +ATOM 1785 H H . ALA A 1 103 ? -28.201 15.205 -9.854 1.0 19.03 ? 93 A 1 +ATOM 1786 H HA . ALA A 1 103 ? -25.865 15.331 -8.768 1.0 18.08 ? 93 A 1 +ATOM 1787 H HB1 . ALA A 1 103 ? -26.107 17.654 -8.832 1.0 19.82 ? 93 A 1 +ATOM 1788 H HB2 . ALA A 1 103 ? -26.537 17.001 -10.215 1.0 19.82 ? 93 A 1 +ATOM 1789 H HB3 . ALA A 1 103 ? -27.647 17.473 -9.18 1.0 19.82 ? 93 A 1 +ATOM 1790 N N . ARG A 1 104 ? -28.281 16.01 -6.75 1.0 15.59 ? 94 A 1 +ATOM 1791 C CA . ARG A 1 104 ? -28.584 16.096 -5.321 1.0 17.86 ? 94 A 1 +ATOM 1792 C C . ARG A 1 104 ? -28.084 14.869 -4.575 1.0 17.77 ? 94 A 1 +ATOM 1793 O O . ARG A 1 104 ? -27.555 14.987 -3.463 1.0 17.57 ? 94 A 1 +ATOM 1794 C CB . ARG A 1 104 ? -30.09 16.259 -5.188 1.0 18.79 ? 94 A 1 +ATOM 1795 C CG . ARG A 1 104 ? -30.51 16.538 -3.763 1.0 19.86 ? 94 A 1 +ATOM 1796 C CD . ARG A 1 104 ? -32.026 16.571 -3.558 1.0 23.56 ? 94 A 1 +ATOM 1797 N NE . ARG A 1 104 ? -32.723 17.33 -4.563 1.0 24.05 ? 94 A 1 +ATOM 1798 C CZ . ARG A 1 104 ? -32.682 18.656 -4.675 1.0 26.69 ? 94 A 1 +ATOM 1799 N NH1 . ARG A 1 104 ? -33.33 19.259 -5.671 1.0 27.31 ? 94 A 1 +ATOM 1800 N NH2 . ARG A 1 104 ? -32.066 19.406 -3.77 1.0 28.92 ? 94 A 1 +ATOM 1801 H H . ARG A 1 104 ? -28.96 16.067 -7.274 1.0 18.71 ? 94 A 1 +ATOM 1802 H HA . ARG A 1 104 ? -28.142 16.859 -4.917 1.0 21.43 ? 94 A 1 +ATOM 1803 H HB2 . ARG A 1 104 ? -30.379 17.001 -5.741 1.0 22.55 ? 94 A 1 +ATOM 1804 H HB3 . ARG A 1 104 ? -30.525 15.441 -5.477 1.0 22.55 ? 94 A 1 +ATOM 1805 H HG2 . ARG A 1 104 ? -30.15 15.843 -3.19 1.0 23.83 ? 94 A 1 +ATOM 1806 H HG3 . ARG A 1 104 ? -30.158 17.402 -3.498 1.0 23.83 ? 94 A 1 +ATOM 1807 H HD2 . ARG A 1 104 ? -32.365 15.663 -3.583 1.0 28.27 ? 94 A 1 +ATOM 1808 H HD3 . ARG A 1 104 ? -32.217 16.974 -2.696 1.0 28.27 ? 94 A 1 +ATOM 1809 H HE . ARG A 1 104 ? -33.2 16.896 -5.132 1.0 28.86 ? 94 A 1 +ATOM 1810 H HH11 . ARG A 1 104 ? -33.774 18.791 -6.24 1.0 32.78 ? 94 A 1 +ATOM 1811 H HH12 . ARG A 1 104 ? -33.305 20.115 -5.745 1.0 32.78 ? 94 A 1 +ATOM 1812 H HH21 . ARG A 1 104 ? -31.683 19.036 -3.095 1.0 34.71 ? 94 A 1 +ATOM 1813 H HH22 . ARG A 1 104 ? -32.05 20.261 -3.859 1.0 34.71 ? 94 A 1 +ATOM 1814 N N . LEU A 1 105 ? -28.234 13.679 -5.148 1.0 17.01 ? 95 A 1 +ATOM 1815 C CA . LEU A 1 105 ? -27.759 12.48 -4.495 1.0 17.43 ? 95 A 1 +ATOM 1816 C C . LEU A 1 105 ? -26.245 12.478 -4.359 1.0 16.61 ? 95 A 1 +ATOM 1817 O O . LEU A 1 105 ? -25.715 12.113 -3.298 1.0 17.64 ? 95 A 1 +ATOM 1818 C CB . LEU A 1 105 ? -28.241 11.266 -5.281 1.0 19.54 ? 95 A 1 +ATOM 1819 C CG . LEU A 1 105 ? -28.135 9.959 -4.545 1.0 22.21 ? 95 A 1 +ATOM 1820 C CD1 . LEU A 1 105 ? -29.04 9.943 -3.295 1.0 24.47 ? 95 A 1 +ATOM 1821 C CD2 . LEU A 1 105 ? -28.571 8.894 -5.56 1.0 28.69 ? 95 A 1 +ATOM 1822 H H . LEU A 1 105 ? -28.606 13.545 -5.911 1.0 20.41 ? 95 A 1 +ATOM 1823 H HA . LEU A 1 105 ? -28.125 12.434 -3.598 1.0 20.92 ? 95 A 1 +ATOM 1824 H HB2 . LEU A 1 105 ? -29.174 11.398 -5.51 1.0 23.45 ? 95 A 1 +ATOM 1825 H HB3 . LEU A 1 105 ? -27.709 11.191 -6.089 1.0 23.45 ? 95 A 1 +ATOM 1826 H HG . LEU A 1 105 ? -27.238 9.794 -4.216 1.0 26.65 ? 95 A 1 +ATOM 1827 H HD11 . LEU A 1 105 ? -29.112 9.033 -2.969 1.0 29.37 ? 95 A 1 +ATOM 1828 H HD12 . LEU A 1 105 ? -28.646 10.509 -2.613 1.0 29.37 ? 95 A 1 +ATOM 1829 H HD13 . LEU A 1 105 ? -29.918 10.278 -3.536 1.0 29.37 ? 95 A 1 +ATOM 1830 H HD21 . LEU A 1 105 ? -28.552 8.023 -5.132 1.0 34.42 ? 95 A 1 +ATOM 1831 H HD22 . LEU A 1 105 ? -29.471 9.094 -5.862 1.0 34.42 ? 95 A 1 +ATOM 1832 H HD23 . LEU A 1 105 ? -27.96 8.905 -6.313 1.0 34.42 ? 95 A 1 +ATOM 1833 N N . ALA A 1 106 ? -25.521 12.917 -5.393 1.0 15.44 ? 96 A 1 +ATOM 1834 C CA . ALA A 1 106 ? -24.07 13.006 -5.255 1.0 16.0 ? 96 A 1 +ATOM 1835 C C . ALA A 1 106 ? -23.652 13.971 -4.166 1.0 16.36 ? 96 A 1 +ATOM 1836 O O . ALA A 1 106 ? -22.719 13.688 -3.412 1.0 16.63 ? 96 A 1 +ATOM 1837 C CB . ALA A 1 106 ? -23.449 13.466 -6.588 1.0 14.84 ? 96 A 1 +ATOM 1838 H H . ALA A 1 106 ? -25.836 13.16 -6.156 1.0 18.53 ? 96 A 1 +ATOM 1839 H HA . ALA A 1 106 ? -23.743 12.122 -5.024 1.0 19.21 ? 96 A 1 +ATOM 1840 H HB1 . ALA A 1 106 ? -22.52 13.703 -6.439 1.0 17.81 ? 96 A 1 +ATOM 1841 H HB2 . ALA A 1 106 ? -23.506 12.742 -7.23 1.0 17.81 ? 96 A 1 +ATOM 1842 H HB3 . ALA A 1 106 ? -23.938 14.238 -6.915 1.0 17.81 ? 96 A 1 +ATOM 1843 N N . VAL A 1 107 ? -24.341 15.124 -4.074 1.0 16.46 ? 97 A 1 +ATOM 1844 C CA . VAL A 1 107 ? -24.052 16.077 -2.997 1.0 16.86 ? 97 A 1 +ATOM 1845 C C . VAL A 1 107 ? -24.272 15.43 -1.641 1.0 18.03 ? 97 A 1 +ATOM 1846 O O . VAL A 1 107 ? -23.455 15.596 -0.741 1.0 18.63 ? 97 A 1 +ATOM 1847 C CB . VAL A 1 107 ? -24.883 17.332 -3.232 1.0 16.98 ? 97 A 1 +ATOM 1848 C CG1 . VAL A 1 107 ? -24.796 18.309 -2.072 1.0 20.67 ? 97 A 1 +ATOM 1849 C CG2 . VAL A 1 107 ? -24.49 18.031 -4.52 1.0 18.41 ? 97 A 1 +ATOM 1850 H H . VAL A 1 107 ? -24.965 15.369 -4.613 1.0 19.75 ? 97 A 1 +ATOM 1851 H HA . VAL A 1 107 ? -23.118 16.338 -3.009 1.0 20.24 ? 97 A 1 +ATOM 1852 H HB . VAL A 1 107 ? -25.804 17.04 -3.306 1.0 20.38 ? 97 A 1 +ATOM 1853 H HG11 . VAL A 1 107 ? -25.22 19.143 -2.329 1.0 24.8 ? 97 A 1 +ATOM 1854 H HG12 . VAL A 1 107 ? -25.251 17.929 -1.304 1.0 24.8 ? 97 A 1 +ATOM 1855 H HG13 . VAL A 1 107 ? -23.862 18.465 -1.86 1.0 24.8 ? 97 A 1 +ATOM 1856 H HG21 . VAL A 1 107 ? -25.0 18.853 -4.602 1.0 22.09 ? 97 A 1 +ATOM 1857 H HG22 . VAL A 1 107 ? -23.541 18.232 -4.493 1.0 22.09 ? 97 A 1 +ATOM 1858 H HG23 . VAL A 1 107 ? -24.683 17.446 -5.269 1.0 22.09 ? 97 A 1 +ATOM 1859 N N . GLN A 1 108 ? -25.355 14.658 -1.505 1.0 18.27 ? 98 A 1 +ATOM 1860 C CA . GLN A 1 108 ? -25.642 13.987 -0.235 1.0 18.74 ? 98 A 1 +ATOM 1861 C C . GLN A 1 108 ? -24.575 12.951 0.071 1.0 18.55 ? 98 A 1 +ATOM 1862 O O . GLN A 1 108 ? -24.306 12.694 1.253 1.0 20.9 ? 98 A 1 +ATOM 1863 C CB . GLN A 1 108 ? -27.027 13.4 -0.304 1.0 19.1 ? 98 A 1 +ATOM 1864 C CG . GLN A 1 108 ? -28.065 14.512 -0.226 1.0 19.98 ? 98 A 1 +ATOM 1865 C CD . GLN A 1 108 ? -29.493 14.093 -0.449 1.0 24.26 ? 98 A 1 +ATOM 1866 O OE1 . GLN A 1 108 ? -29.771 12.97 -0.858 1.0 25.89 ? 98 A 1 +ATOM 1867 N NE2 . GLN A 1 108 ? -30.428 15.004 -0.171 1.0 23.13 ? 98 A 1 +ATOM 1868 H H . GLN A 1 108 ? -25.932 14.507 -2.125 1.0 21.93 ? 98 A 1 +ATOM 1869 H HA . GLN A 1 108 ? -25.634 14.616 0.504 1.0 22.48 ? 98 A 1 +ATOM 1870 H HB2 . GLN A 1 108 ? -27.14 12.927 -1.143 1.0 22.93 ? 98 A 1 +ATOM 1871 H HB3 . GLN A 1 108 ? -27.163 12.793 0.44 1.0 22.93 ? 98 A 1 +ATOM 1872 H HG2 . GLN A 1 108 ? -28.018 14.91 0.657 1.0 23.98 ? 98 A 1 +ATOM 1873 H HG3 . GLN A 1 108 ? -27.852 15.175 -0.901 1.0 23.98 ? 98 A 1 +ATOM 1874 H HE21 . GLN A 1 108 ? -30.198 15.78 0.119 1.0 27.76 ? 98 A 1 +ATOM 1875 H HE22 . GLN A 1 108 ? -31.259 14.815 -0.281 1.0 27.76 ? 98 A 1 +ATOM 1876 N N . PHE A 1 109 ? -24.049 12.262 -0.922 1.0 19.14 ? 99 A 1 +ATOM 1877 C CA . PHE A 1 109 ? -22.95 11.33 -0.751 1.0 19.16 ? 99 A 1 +ATOM 1878 C C . PHE A 1 109 ? -21.632 12.002 -0.48 1.0 20.68 ? 99 A 1 +ATOM 1879 O O . PHE A 1 109 ? -20.646 11.312 -0.205 1.0 23.33 ? 99 A 1 +ATOM 1880 C CB . PHE A 1 109 ? -22.811 10.436 -1.999 1.0 18.38 ? 99 A 1 +ATOM 1881 C CG . PHE A 1 109 ? -23.651 9.193 -2.0 1.0 20.54 ? 99 A 1 +ATOM 1882 C CD1 . PHE A 1 109 ? -24.975 9.224 -2.318 1.0 26.44 ? 99 A 1 +ATOM 1883 C CD2 . PHE A 1 109 ? -23.082 7.959 -1.744 1.0 25.82 ? 99 A 1 +ATOM 1884 C CE1 . PHE A 1 109 ? -25.751 8.051 -2.354 1.0 27.25 ? 99 A 1 +ATOM 1885 C CE2 . PHE A 1 109 ? -23.848 6.794 -1.781 1.0 29.92 ? 99 A 1 +ATOM 1886 C CZ . PHE A 1 109 ? -25.183 6.849 -2.083 1.0 23.96 ? 99 A 1 +ATOM 1887 H H . PHE A 1 109 ? -24.32 12.315 -1.737 1.0 22.97 ? 99 A 1 +ATOM 1888 H HA . PHE A 1 109 ? -23.157 10.766 0.01 1.0 23.0 ? 99 A 1 +ATOM 1889 H HB2 . PHE A 1 109 ? -23.065 10.957 -2.777 1.0 22.05 ? 99 A 1 +ATOM 1890 H HB3 . PHE A 1 109 ? -21.884 10.158 -2.074 1.0 22.05 ? 99 A 1 +ATOM 1891 H HD1 . PHE A 1 109 ? -25.375 10.039 -2.517 1.0 31.73 ? 99 A 1 +ATOM 1892 H HD2 . PHE A 1 109 ? -22.175 7.904 -1.546 1.0 30.99 ? 99 A 1 +ATOM 1893 H HE1 . PHE A 1 109 ? -26.655 8.1 -2.564 1.0 32.69 ? 99 A 1 +ATOM 1894 H HE2 . PHE A 1 109 ? -23.45 5.974 -1.598 1.0 35.91 ? 99 A 1 +ATOM 1895 H HZ . PHE A 1 109 ? -25.694 6.072 -2.103 1.0 28.76 ? 99 A 1 +ATOM 1896 N N . GLY A 1 110 ? -21.568 13.337 -0.568 1.0 20.14 ? 100 A 1 +ATOM 1897 C CA . GLY A 1 110 ? -20.394 14.085 -0.178 1.0 20.48 ? 100 A 1 +ATOM 1898 C C . GLY A 1 110 ? -19.597 14.761 -1.272 1.0 20.13 ? 100 A 1 +ATOM 1899 O O . GLY A 1 110 ? -18.539 15.328 -0.989 1.0 21.86 ? 100 A 1 +ATOM 1900 H H . GLY A 1 110 ? -22.21 13.83 -0.858 1.0 24.16 ? 100 A 1 +ATOM 1901 H HA2 . GLY A 1 110 ? -20.673 14.779 0.44 1.0 24.58 ? 100 A 1 +ATOM 1902 H HA3 . GLY A 1 110 ? -19.791 13.478 0.28 1.0 24.58 ? 100 A 1 +ATOM 1903 N N . ALA A 1 111 ? -20.005 14.675 -2.56 1.0 19.63 ? 101 A 1 +ATOM 1904 C CA . ALA A 1 111 ? -19.303 15.392 -3.622 1.0 18.21 ? 101 A 1 +ATOM 1905 C C . ALA A 1 111 ? -19.462 16.889 -3.41 1.0 16.3 ? 101 A 1 +ATOM 1906 O O . ALA A 1 111 ? -20.561 17.382 -3.225 1.0 19.7 ? 101 A 1 +ATOM 1907 C CB . ALA A 1 111 ? -19.892 15.002 -4.973 1.0 21.16 ? 101 A 1 +ATOM 1908 H H . ALA A 1 111 ? -20.678 14.212 -2.829 1.0 23.55 ? 101 A 1 +ATOM 1909 H HA . ALA A 1 111 ? -18.359 15.167 -3.613 1.0 21.85 ? 101 A 1 +ATOM 1910 H HB1 . ALA A 1 111 ? -19.428 15.487 -5.673 1.0 25.4 ? 101 A 1 +ATOM 1911 H HB2 . ALA A 1 111 ? -19.78 14.047 -5.103 1.0 25.4 ? 101 A 1 +ATOM 1912 H HB3 . ALA A 1 111 ? -20.835 15.228 -4.984 1.0 25.4 ? 101 A 1 +ATOM 1913 N N . LYS A 1 112 ? -18.339 17.596 -3.546 1.0 15.96 ? 102 A 1 +ATOM 1914 C CA . LYS A 1 112 ? -18.362 19.051 -3.39 1.0 16.22 ? 102 A 1 +ATOM 1915 C C . LYS A 1 112 ? -18.31 19.818 -4.695 1.0 14.89 ? 102 A 1 +ATOM 1916 O O . LYS A 1 112 ? -18.438 21.064 -4.682 1.0 15.68 ? 102 A 1 +ATOM 1917 C CB . LYS A 1 112 ? -17.237 19.49 -2.461 1.0 17.91 ? 102 A 1 +ATOM 1918 C CG . LYS A 1 112 ? -17.488 18.882 -1.023 1.0 22.19 ? 102 A 1 +ATOM 1919 C CD . LYS A 1 112 ? -16.602 19.533 0.016 1.0 29.85 ? 102 A 1 +ATOM 1920 C CE . LYS A 1 112 ? -17.034 19.13 1.469 1.0 36.89 ? 102 A 1 +ATOM 1921 N NZ . LYS A 1 112 ? -17.071 17.667 1.653 1.0 87.05 ? 102 A 1 +ATOM 1922 H H . LYS A 1 112 ? -17.567 17.262 -3.725 1.0 19.15 ? 102 A 1 +ATOM 1923 H HA . LYS A 1 112 ? -19.2 19.304 -2.971 1.0 19.46 ? 102 A 1 +ATOM 1924 H HB2 . LYS A 1 112 ? -16.387 19.165 -2.797 1.0 21.49 ? 102 A 1 +ATOM 1925 H HB3 . LYS A 1 112 ? -17.221 20.457 -2.396 1.0 21.49 ? 102 A 1 +ATOM 1926 H HG2 . LYS A 1 112 ? -18.412 19.028 -0.769 1.0 26.63 ? 102 A 1 +ATOM 1927 H HG3 . LYS A 1 112 ? -17.293 17.932 -1.037 1.0 26.63 ? 102 A 1 +ATOM 1928 H HD2 . LYS A 1 112 ? -15.684 19.249 -0.12 1.0 35.81 ? 102 A 1 +ATOM 1929 H HD3 . LYS A 1 112 ? -16.665 20.498 -0.066 1.0 35.81 ? 102 A 1 +ATOM 1930 H HE2 . LYS A 1 112 ? -16.401 19.499 2.104 1.0 44.27 ? 102 A 1 +ATOM 1931 H HE3 . LYS A 1 112 ? -17.922 19.479 1.645 1.0 44.27 ? 102 A 1 +ATOM 1932 H HZ1 . LYS A 1 112 ? -17.643 17.301 1.078 1.0 104.47 ? 102 A 1 +ATOM 1933 H HZ2 . LYS A 1 112 ? -16.262 17.322 1.515 1.0 104.47 ? 102 A 1 +ATOM 1934 H HZ3 . LYS A 1 112 ? -17.33 17.471 2.482 1.0 104.47 ? 102 A 1 +ATOM 1935 N N . THR A 1 113 ? -18.147 19.102 -5.8 1.0 13.98 ? 103 A 1 +ATOM 1936 C CA . THR A 1 113 ? -18.277 19.636 -7.141 1.0 13.19 ? 103 A 1 +ATOM 1937 C C . THR A 1 113 ? -19.093 18.639 -7.935 1.0 12.81 ? 103 A 1 +ATOM 1938 O O . THR A 1 113 ? -18.889 17.436 -7.841 1.0 13.78 ? 103 A 1 +ATOM 1939 C CB . THR A 1 113 ? -16.914 19.774 -7.834 1.0 13.09 ? 103 A 1 +ATOM 1940 O OG1 . THR A 1 113 ? -16.083 20.701 -7.143 1.0 14.76 ? 103 A 1 +ATOM 1941 C CG2 . THR A 1 113 ? -17.037 20.292 -9.259 1.0 14.76 ? 103 A 1 +ATOM 1942 H H . THR A 1 113 ? -17.953 18.264 -5.795 1.0 16.77 ? 103 A 1 +ATOM 1943 H HA . THR A 1 113 ? -18.704 20.507 -7.112 1.0 15.82 ? 103 A 1 +ATOM 1944 H HB . THR A 1 113 ? -16.522 18.887 -7.841 1.0 15.71 ? 103 A 1 +ATOM 1945 H HG1 . THR A 1 113 ? -15.928 20.424 -6.365 1.0 17.72 ? 103 A 1 +ATOM 1946 H HG21 . THR A 1 113 ? -16.162 20.532 -9.601 1.0 17.71 ? 103 A 1 +ATOM 1947 H HG22 . THR A 1 113 ? -17.422 19.607 -9.829 1.0 17.71 ? 103 A 1 +ATOM 1948 H HG23 . THR A 1 113 ? -17.609 21.075 -9.279 1.0 17.71 ? 103 A 1 +ATOM 1949 N N . ILE A 1 114 ? -20.011 19.156 -8.745 1.0 13.08 ? 104 A 1 +ATOM 1950 C CA . ILE A 1 114 ? -20.727 18.394 -9.758 1.0 13.61 ? 104 A 1 +ATOM 1951 C C . ILE A 1 114 ? -20.203 18.828 -11.121 1.0 12.8 ? 104 A 1 +ATOM 1952 O O . ILE A 1 114 ? -20.152 20.037 -11.415 1.0 13.46 ? 104 A 1 +ATOM 1953 C CB . ILE A 1 114 ? -22.234 18.629 -9.687 1.0 14.2 ? 104 A 1 +ATOM 1954 C CG1 . ILE A 1 114 ? -22.779 18.297 -8.312 1.0 16.81 ? 104 A 1 +ATOM 1955 C CG2 . ILE A 1 114 ? -22.953 17.853 -10.797 1.0 15.44 ? 104 A 1 +ATOM 1956 C CD1 . ILE A 1 114 ? -22.628 16.865 -7.898 1.0 15.82 ? 104 A 1 +ATOM 1957 H H . ILE A 1 114 ? -20.245 19.983 -8.724 1.0 15.7 ? 104 A 1 +ATOM 1958 H HA . ILE A 1 114 ? -20.552 17.449 -9.624 1.0 16.33 ? 104 A 1 +ATOM 1959 H HB . ILE A 1 114 ? -22.402 19.573 -9.832 1.0 17.04 ? 104 A 1 +ATOM 1960 H HG12 . ILE A 1 114 ? -22.312 18.839 -7.658 1.0 20.17 ? 104 A 1 +ATOM 1961 H HG13 . ILE A 1 114 ? -23.727 18.505 -8.299 1.0 20.17 ? 104 A 1 +ATOM 1962 H HG21 . ILE A 1 114 ? -23.906 17.849 -10.614 1.0 18.53 ? 104 A 1 +ATOM 1963 H HG22 . ILE A 1 114 ? -22.782 18.288 -11.648 1.0 18.53 ? 104 A 1 +ATOM 1964 H HG23 . ILE A 1 114 ? -22.616 16.944 -10.817 1.0 18.53 ? 104 A 1 +ATOM 1965 H HD11 . ILE A 1 114 ? -23.05 16.74 -7.034 1.0 18.98 ? 104 A 1 +ATOM 1966 H HD12 . ILE A 1 114 ? -23.056 16.299 -8.56 1.0 18.98 ? 104 A 1 +ATOM 1967 H HD13 . ILE A 1 114 ? -21.684 16.651 -7.84 1.0 18.98 ? 104 A 1 +ATOM 1968 N N . VAL A 1 115 ? -19.837 17.852 -11.934 1.0 12.77 ? 105 A 1 +ATOM 1969 C CA . VAL A 1 115 ? -19.363 18.063 -13.323 1.0 12.82 ? 105 A 1 +ATOM 1970 C C . VAL A 1 115 ? -20.46 17.593 -14.247 1.0 13.05 ? 105 A 1 +ATOM 1971 O O . VAL A 1 115 ? -20.88 16.447 -14.172 1.0 14.67 ? 105 A 1 +ATOM 1972 C CB . VAL A 1 115 ? -18.09 17.272 -13.601 1.0 11.95 ? 105 A 1 +ATOM 1973 C CG1 . VAL A 1 115 ? -17.596 17.57 -15.017 1.0 14.34 ? 105 A 1 +ATOM 1974 C CG2 . VAL A 1 115 ? -16.99 17.586 -12.616 1.0 14.13 ? 105 A 1 +ATOM 1975 H H . VAL A 1 115 ? -19.848 17.022 -11.709 1.0 15.32 ? 105 A 1 +ATOM 1976 H HA . VAL A 1 115 ? -19.194 19.007 -13.467 1.0 15.38 ? 105 A 1 +ATOM 1977 H HB . VAL A 1 115 ? -18.304 16.331 -13.509 1.0 14.34 ? 105 A 1 +ATOM 1978 H HG11 . VAL A 1 115 ? -16.705 17.202 -15.125 1.0 17.21 ? 105 A 1 +ATOM 1979 H HG12 . VAL A 1 115 ? -18.202 17.161 -15.655 1.0 17.21 ? 105 A 1 +ATOM 1980 H HG13 . VAL A 1 115 ? -17.576 18.53 -15.149 1.0 17.21 ? 105 A 1 +ATOM 1981 H HG21 . VAL A 1 115 ? -16.265 16.955 -12.741 1.0 16.95 ? 105 A 1 +ATOM 1982 H HG22 . VAL A 1 115 ? -16.674 18.489 -12.774 1.0 16.95 ? 105 A 1 +ATOM 1983 H HG23 . VAL A 1 115 ? -17.342 17.511 -11.715 1.0 16.95 ? 105 A 1 +ATOM 1984 N N . LEU A 1 116 ? -20.96 18.492 -15.086 1.0 12.48 ? 106 A 1 +ATOM 1985 C CA . LEU A 1 116 ? -21.943 18.126 -16.114 1.0 12.64 ? 106 A 1 +ATOM 1986 C C . LEU A 1 116 ? -21.177 18.025 -17.439 1.0 12.87 ? 106 A 1 +ATOM 1987 O O . LEU A 1 116 ? -20.604 19.026 -17.876 1.0 13.06 ? 106 A 1 +ATOM 1988 C CB . LEU A 1 116 ? -23.036 19.159 -16.206 1.0 13.39 ? 106 A 1 +ATOM 1989 C CG . LEU A 1 116 ? -23.807 19.411 -14.887 1.0 14.35 ? 106 A 1 +ATOM 1990 C CD1 . LEU A 1 116 ? -24.824 20.505 -15.138 1.0 17.73 ? 106 A 1 +ATOM 1991 C CD2 . LEU A 1 116 ? -24.475 18.144 -14.418 1.0 16.07 ? 106 A 1 +ATOM 1992 H H . LEU A 1 116 ? -20.748 19.325 -15.083 1.0 14.98 ? 106 A 1 +ATOM 1993 H HA . LEU A 1 116 ? -22.364 17.276 -15.908 1.0 15.17 ? 106 A 1 +ATOM 1994 H HB2 . LEU A 1 116 ? -22.639 20.001 -16.478 1.0 16.06 ? 106 A 1 +ATOM 1995 H HB3 . LEU A 1 116 ? -23.68 18.866 -16.869 1.0 16.06 ? 106 A 1 +ATOM 1996 H HG . LEU A 1 116 ? -23.203 19.689 -14.181 1.0 17.22 ? 106 A 1 +ATOM 1997 H HD11 . LEU A 1 116 ? -25.312 20.677 -14.318 1.0 21.28 ? 106 A 1 +ATOM 1998 H HD12 . LEU A 1 116 ? -24.36 21.309 -15.421 1.0 21.28 ? 106 A 1 +ATOM 1999 H HD13 . LEU A 1 116 ? -25.436 20.214 -15.832 1.0 21.28 ? 106 A 1 +ATOM 2000 H HD21 . LEU A 1 116 ? -25.064 18.354 -13.676 1.0 19.28 ? 106 A 1 +ATOM 2001 H HD22 . LEU A 1 116 ? -24.987 17.767 -15.15 1.0 19.28 ? 106 A 1 +ATOM 2002 H HD23 . LEU A 1 116 ? -23.794 17.515 -14.132 1.0 19.28 ? 106 A 1 +ATOM 2003 N N . GLN A 1 117 ? -21.102 16.839 -17.999 1.0 12.2 ? 107 A 1 +ATOM 2004 C CA . GLN A 1 117 ? -20.397 16.613 -19.265 1.0 12.65 ? 107 A 1 +ATOM 2005 C C . GLN A 1 117 ? -21.364 15.971 -20.235 1.0 12.44 ? 107 A 1 +ATOM 2006 O O . GLN A 1 117 ? -22.228 15.173 -19.866 1.0 13.26 ? 107 A 1 +ATOM 2007 C CB . GLN A 1 117 ? -19.168 15.733 -19.052 1.0 12.51 ? 107 A 1 +ATOM 2008 C CG . GLN A 1 117 ? -18.257 15.708 -20.301 1.0 13.33 ? 107 A 1 +ATOM 2009 C CD . GLN A 1 117 ? -17.039 14.862 -20.122 1.0 14.7 ? 107 A 1 +ATOM 2010 O OE1 . GLN A 1 117 ? -17.104 13.634 -20.291 1.0 16.38 ? 107 A 1 +ATOM 2011 N NE2 . GLN A 1 117 ? -15.912 15.477 -19.813 1.0 13.98 ? 107 A 1 +ATOM 2012 H H . GLN A 1 117 ? -21.454 16.129 -17.668 1.0 14.64 ? 107 A 1 +ATOM 2013 H HA . GLN A 1 117 ? -20.087 17.448 -19.649 1.0 15.17 ? 107 A 1 +ATOM 2014 H HB2 . GLN A 1 117 ? -18.653 16.078 -18.306 1.0 15.01 ? 107 A 1 +ATOM 2015 H HB3 . GLN A 1 117 ? -19.454 14.825 -18.866 1.0 15.01 ? 107 A 1 +ATOM 2016 H HG2 . GLN A 1 117 ? -18.759 15.353 -21.051 1.0 16.0 ? 107 A 1 +ATOM 2017 H HG3 . GLN A 1 117 ? -17.965 16.613 -20.496 1.0 16.0 ? 107 A 1 +ATOM 2018 H HE21 . GLN A 1 117 ? -15.899 16.332 -19.722 1.0 16.78 ? 107 A 1 +ATOM 2019 H HE22 . GLN A 1 117 ? -15.19 15.022 -19.702 1.0 16.78 ? 107 A 1 +ATOM 2020 N N . SER A 1 118 ? -21.204 16.32 -21.519 1.0 12.68 ? 108 A 1 +ATOM 2021 C CA . SER A 1 118 ? -22.047 15.737 -22.55 1.0 13.6 ? 108 A 1 +ATOM 2022 C C . SER A 1 118 ? -21.337 15.803 -23.891 1.0 13.37 ? 108 A 1 +ATOM 2023 O O . SER A 1 118 ? -20.369 16.531 -24.091 1.0 13.4 ? 108 A 1 +ATOM 2024 C CB . SER A 1 118 ? -23.37 16.482 -22.639 1.0 13.97 ? 108 A 1 +ATOM 2025 O OG . SER A 1 118 ? -23.208 17.819 -22.981 1.0 14.77 ? 108 A 1 +ATOM 2026 H H . SER A 1 118 ? -20.621 16.883 -21.805 1.0 15.22 ? 108 A 1 +ATOM 2027 H HA . SER A 1 118 ? -22.199 14.804 -22.332 1.0 16.32 ? 108 A 1 +ATOM 2028 H HB2 . SER A 1 118 ? -23.92 16.055 -23.314 1.0 16.76 ? 108 A 1 +ATOM 2029 H HB3 . SER A 1 118 ? -23.809 16.435 -21.775 1.0 16.76 ? 108 A 1 +ATOM 2030 H HG . SER A 1 118 ? -22.918 17.881 -23.767 1.0 17.73 ? 108 A 1 +ATOM 2031 N N . GLY A 1 119 ? -21.914 15.086 -24.847 1.0 13.33 ? 109 A 1 +ATOM 2032 C CA . GLY A 1 119 ? -21.678 15.434 -26.241 1.0 13.09 ? 109 A 1 +ATOM 2033 C C . GLY A 1 119 ? -22.16 16.839 -26.514 1.0 14.04 ? 109 A 1 +ATOM 2034 O O . GLY A 1 119 ? -22.906 17.449 -25.74 1.0 13.31 ? 109 A 1 +ATOM 2035 H H . GLY A 1 119 ? -22.432 14.412 -24.719 1.0 16.0 ? 109 A 1 +ATOM 2036 H HA2 . GLY A 1 119 ? -20.729 15.383 -26.438 1.0 15.71 ? 109 A 1 +ATOM 2037 H HA3 . GLY A 1 119 ? -22.154 14.819 -26.82 1.0 15.71 ? 109 A 1 +ATOM 2038 N N . GLU A 1 120 ? -21.776 17.392 -27.66 1.0 13.75 ? 110 A 1 +ATOM 2039 C CA . GLU A 1 120 ? -22.276 18.693 -28.063 1.0 13.45 ? 110 A 1 +ATOM 2040 C C . GLU A 1 120 ? -23.704 18.503 -28.568 1.0 14.77 ? 110 A 1 +ATOM 2041 O O . GLU A 1 120 ? -23.951 18.304 -29.77 1.0 15.41 ? 110 A 1 +ATOM 2042 C CB . GLU A 1 120 ? -21.378 19.309 -29.125 1.0 14.23 ? 110 A 1 +ATOM 2043 C CG . GLU A 1 120 ? -20.036 19.747 -28.621 1.0 14.93 ? 110 A 1 +ATOM 2044 C CD . GLU A 1 120 ? -19.29 20.711 -29.55 1.0 14.55 ? 110 A 1 +ATOM 2045 O OE1 . GLU A 1 120 ? -19.896 21.129 -30.565 1.0 15.56 ? 110 A 1 +ATOM 2046 O OE2 . GLU A 1 120 ? -18.13 21.0 -29.247 1.0 15.58 ? 110 A 1 +ATOM 2047 H H . GLU A 1 120 ? -21.228 17.031 -28.217 1.0 16.5 ? 110 A 1 +ATOM 2048 H HA . GLU A 1 120 ? -22.292 19.291 -27.3 1.0 16.14 ? 110 A 1 +ATOM 2049 H HB2 . GLU A 1 120 ? -21.23 18.653 -29.823 1.0 17.07 ? 110 A 1 +ATOM 2050 H HB3 . GLU A 1 120 ? -21.823 20.089 -29.491 1.0 17.07 ? 110 A 1 +ATOM 2051 H HG2 . GLU A 1 120 ? -20.157 20.196 -27.77 1.0 17.91 ? 110 A 1 +ATOM 2052 H HG3 . GLU A 1 120 ? -19.478 18.962 -28.505 1.0 17.91 ? 110 A 1 +ATOM 2053 N N . ASP A 1 121 ? -24.663 18.573 -27.633 1.0 14.65 ? 111 A 1 +ATOM 2054 C CA . ASP A 1 121 ? -26.062 18.225 -27.874 1.0 14.74 ? 111 A 1 +ATOM 2055 C C . ASP A 1 121 ? -26.884 19.505 -27.89 1.0 16.49 ? 111 A 1 +ATOM 2056 O O . ASP A 1 121 ? -27.129 20.115 -26.845 1.0 15.77 ? 111 A 1 +ATOM 2057 C CB . ASP A 1 121 ? -26.57 17.284 -26.799 1.0 14.79 ? 111 A 1 +ATOM 2058 C CG . ASP A 1 121 ? -28.012 16.911 -27.0 1.0 16.53 ? 111 A 1 +ATOM 2059 O OD1 . ASP A 1 121 ? -28.7 17.493 -27.889 1.0 16.22 ? 111 A 1 +ATOM 2060 O OD2 . ASP A 1 121 ? -28.508 16.039 -26.28 1.0 15.68 ? 111 A 1 +ATOM 2061 H H . ASP A 1 121 ? -24.518 18.83 -26.825 1.0 17.58 ? 111 A 1 +ATOM 2062 H HA . ASP A 1 121 ? -26.147 17.78 -28.732 1.0 17.69 ? 111 A 1 +ATOM 2063 H HB2 . ASP A 1 121 ? -26.043 16.47 -26.815 1.0 17.75 ? 111 A 1 +ATOM 2064 H HB3 . ASP A 1 121 ? -26.488 17.717 -25.935 1.0 17.75 ? 111 A 1 +ATOM 2065 N N . PRO A 1 122 ? -27.289 19.994 -29.082 1.0 15.75 ? 112 A 1 +ATOM 2066 C CA . PRO A 1 122 ? -27.978 21.275 -29.163 1.0 16.31 ? 112 A 1 +ATOM 2067 C C . PRO A 1 122 ? -29.253 21.354 -28.382 1.0 17.19 ? 112 A 1 +ATOM 2068 O O . PRO A 1 122 ? -29.76 22.443 -28.114 1.0 17.55 ? 112 A 1 +ATOM 2069 C CB . PRO A 1 122 ? -28.195 21.427 -30.685 1.0 17.38 ? 112 A 1 +ATOM 2070 C CG . PRO A 1 122 ? -27.151 20.599 -31.305 1.0 21.55 ? 112 A 1 +ATOM 2071 C CD . PRO A 1 122 ? -27.012 19.401 -30.409 1.0 16.84 ? 112 A 1 +ATOM 2072 H HA . PRO A 1 122 ? -27.405 21.99 -28.846 1.0 19.57 ? 112 A 1 +ATOM 2073 H HB2 . PRO A 1 122 ? -29.079 21.107 -30.926 1.0 20.85 ? 112 A 1 +ATOM 2074 H HB3 . PRO A 1 122 ? -28.098 22.357 -30.941 1.0 20.85 ? 112 A 1 +ATOM 2075 H HG2 . PRO A 1 122 ? -27.426 20.334 -32.196 1.0 25.86 ? 112 A 1 +ATOM 2076 H HG3 . PRO A 1 122 ? -26.319 21.096 -31.348 1.0 25.86 ? 112 A 1 +ATOM 2077 H HD2 . PRO A 1 122 ? -27.662 18.717 -30.632 1.0 20.21 ? 112 A 1 +ATOM 2078 H HD3 . PRO A 1 122 ? -26.115 19.033 -30.45 1.0 20.21 ? 112 A 1 +ATOM 2079 N N . TYR A 1 123 ? -29.88 20.231 -28.015 1.0 16.21 ? 113 A 1 +ATOM 2080 C CA . TYR A 1 123 ? -31.145 20.297 -27.293 1.0 17.36 ? 113 A 1 +ATOM 2081 C C . TYR A 1 123 ? -31.087 21.237 -26.093 1.0 16.04 ? 113 A 1 +ATOM 2082 O O . TYR A 1 123 ? -32.039 21.942 -25.785 1.0 17.76 ? 113 A 1 +ATOM 2083 C CB . TYR A 1 123 ? -31.607 18.903 -26.806 1.0 16.93 ? 113 A 1 +ATOM 2084 C CG . TYR A 1 123 ? -32.848 18.983 -25.987 1.0 17.71 ? 113 A 1 +ATOM 2085 C CD1 . TYR A 1 123 ? -34.102 19.036 -26.579 1.0 20.26 ? 113 A 1 +ATOM 2086 C CD2 . TYR A 1 123 ? -32.763 19.093 -24.604 1.0 17.93 ? 113 A 1 +ATOM 2087 C CE1 . TYR A 1 123 ? -35.236 19.162 -25.809 1.0 23.02 ? 113 A 1 +ATOM 2088 C CE2 . TYR A 1 123 ? -33.893 19.213 -23.844 1.0 20.55 ? 113 A 1 +ATOM 2089 C CZ . TYR A 1 123 ? -35.095 19.26 -24.455 1.0 20.76 ? 113 A 1 +ATOM 2090 O OH . TYR A 1 123 ? -36.265 19.397 -23.744 1.0 25.67 ? 113 A 1 +ATOM 2091 H H . TYR A 1 123 ? -29.595 19.435 -28.169 1.0 19.46 ? 113 A 1 +ATOM 2092 H HA . TYR A 1 123 ? -31.796 20.632 -27.93 1.0 20.84 ? 113 A 1 +ATOM 2093 H HB2 . TYR A 1 123 ? -31.786 18.34 -27.574 1.0 20.32 ? 113 A 1 +ATOM 2094 H HB3 . TYR A 1 123 ? -30.908 18.509 -26.261 1.0 20.32 ? 113 A 1 +ATOM 2095 H HD1 . TYR A 1 123 ? -34.177 18.987 -27.505 1.0 24.31 ? 113 A 1 +ATOM 2096 H HD2 . TYR A 1 123 ? -31.929 19.085 -24.191 1.0 21.51 ? 113 A 1 +ATOM 2097 H HE1 . TYR A 1 123 ? -36.079 19.179 -26.202 1.0 27.63 ? 113 A 1 +ATOM 2098 H HE2 . TYR A 1 123 ? -33.834 19.262 -22.918 1.0 24.66 ? 113 A 1 +ATOM 2099 H HH . TYR A 1 123 ? -36.095 19.487 -22.926 1.0 30.81 ? 113 A 1 +ATOM 2100 N N . TYR A 1 124 ? -29.988 21.172 -25.344 1.0 15.72 ? 114 A 1 +ATOM 2101 C CA . TYR A 1 124 ? -29.925 21.795 -24.024 1.0 16.29 ? 114 A 1 +ATOM 2102 C C . TYR A 1 124 ? -29.482 23.237 -24.064 1.0 17.53 ? 114 A 1 +ATOM 2103 O O . TYR A 1 124 ? -29.503 23.936 -23.035 1.0 17.82 ? 114 A 1 +ATOM 2104 C CB . TYR A 1 124 ? -28.936 21.021 -23.113 1.0 15.61 ? 114 A 1 +ATOM 2105 C CG . TYR A 1 124 ? -29.356 19.614 -22.806 1.0 14.3 ? 114 A 1 +ATOM 2106 C CD1 . TYR A 1 124 ? -29.015 18.567 -23.624 1.0 15.43 ? 114 A 1 +ATOM 2107 C CD2 . TYR A 1 124 ? -30.017 19.315 -21.624 1.0 16.05 ? 114 A 1 +ATOM 2108 C CE1 . TYR A 1 124 ? -29.375 17.285 -23.356 1.0 15.16 ? 114 A 1 +ATOM 2109 C CE2 . TYR A 1 124 ? -30.363 18.016 -21.329 1.0 16.03 ? 114 A 1 +ATOM 2110 C CZ . TYR A 1 124 ? -30.049 17.008 -22.186 1.0 15.52 ? 114 A 1 +ATOM 2111 O OH . TYR A 1 124 ? -30.33 15.695 -21.919 1.0 17.17 ? 114 A 1 +ATOM 2112 H H . TYR A 1 124 ? -29.264 20.772 -25.579 1.0 18.86 ? 114 A 1 +ATOM 2113 H HA . TYR A 1 124 ? -30.812 21.754 -23.634 1.0 19.54 ? 114 A 1 +ATOM 2114 H HB2 . TYR A 1 124 ? -28.074 20.981 -23.556 1.0 18.73 ? 114 A 1 +ATOM 2115 H HB3 . TYR A 1 124 ? -28.855 21.495 -22.271 1.0 18.73 ? 114 A 1 +ATOM 2116 H HD1 . TYR A 1 124 ? -28.518 18.742 -24.39 1.0 18.52 ? 114 A 1 +ATOM 2117 H HD2 . TYR A 1 124 ? -30.228 19.996 -21.027 1.0 19.26 ? 114 A 1 +ATOM 2118 H HE1 . TYR A 1 124 ? -29.169 16.603 -23.954 1.0 18.19 ? 114 A 1 +ATOM 2119 H HE2 . TYR A 1 124 ? -30.815 17.826 -20.539 1.0 19.24 ? 114 A 1 +ATOM 2120 H HH . TYR A 1 124 ? -30.745 15.632 -21.192 1.0 20.6 ? 114 A 1 +ATOM 2121 N N . MET A 1 125 ? -29.059 23.721 -25.211 1.0 18.28 ? 115 A 1 +ATOM 2122 C CA . MET A 1 125 ? -28.132 24.859 -25.255 1.0 18.49 ? 115 A 1 +ATOM 2123 C C . MET A 1 125 ? -28.874 26.105 -25.703 1.0 21.2 ? 115 A 1 +ATOM 2124 O O . MET A 1 125 ? -29.493 26.071 -26.781 1.0 21.1 ? 115 A 1 +ATOM 2125 C CB . MET A 1 125 ? -26.977 24.623 -26.209 1.0 18.29 ? 115 A 1 +ATOM 2126 C CG . MET A 1 125 ? -26.278 23.302 -26.019 1.0 16.72 ? 115 A 1 +ATOM 2127 S SD . MET A 1 125 ? -25.729 23.013 -24.343 1.0 18.06 ? 115 A 1 +ATOM 2128 C CE . MET A 1 125 ? -24.923 21.481 -24.586 1.0 18.06 ? 115 A 1 +ATOM 2129 H H . MET A 1 125 ? -29.286 23.417 -25.982 1.0 21.94 ? 115 A 1 +ATOM 2130 H HA . MET A 1 125 ? -27.762 24.973 -24.365 1.0 22.19 ? 115 A 1 +ATOM 2131 H HB2 . MET A 1 125 ? -27.316 24.648 -27.117 1.0 21.95 ? 115 A 1 +ATOM 2132 H HB3 . MET A 1 125 ? -26.32 25.325 -26.08 1.0 21.95 ? 115 A 1 +ATOM 2133 H HG2 . MET A 1 125 ? -26.89 22.588 -26.257 1.0 20.06 ? 115 A 1 +ATOM 2134 H HG3 . MET A 1 125 ? -25.498 23.276 -26.595 1.0 20.06 ? 115 A 1 +ATOM 2135 H HE1 . MET A 1 125 ? -24.59 21.16 -23.733 1.0 21.67 ? 115 A 1 +ATOM 2136 H HE2 . MET A 1 125 ? -25.558 20.846 -24.953 1.0 21.67 ? 115 A 1 +ATOM 2137 H HE3 . MET A 1 125 ? -24.186 21.606 -25.203 1.0 21.67 ? 115 A 1 +ATOM 2138 N N . PRO A 1 126 ? -28.848 27.242 -24.972 1.0 18.85 ? 116 A 1 +ATOM 2139 C CA . PRO A 1 126 ? -28.198 27.417 -23.659 1.0 19.25 ? 116 A 1 +ATOM 2140 C C . PRO A 1 126 ? -29.114 27.275 -22.473 1.0 18.86 ? 116 A 1 +ATOM 2141 O O . PRO A 1 126 ? -28.591 27.163 -21.358 1.0 17.76 ? 116 A 1 +ATOM 2142 C CB . PRO A 1 126 ? -27.734 28.885 -23.739 1.0 20.32 ? 116 A 1 +ATOM 2143 C CG . PRO A 1 126 ? -28.788 29.584 -24.541 1.0 21.89 ? 116 A 1 +ATOM 2144 C CD . PRO A 1 126 ? -29.257 28.548 -25.54 1.0 20.64 ? 116 A 1 +ATOM 2145 H HA . PRO A 1 126 ? -27.467 26.786 -23.57 1.0 23.1 ? 116 A 1 +ATOM 2146 H HB2 . PRO A 1 126 ? -27.671 29.261 -22.847 1.0 24.38 ? 116 A 1 +ATOM 2147 H HB3 . PRO A 1 126 ? -26.872 28.935 -24.181 1.0 24.38 ? 116 A 1 +ATOM 2148 H HG2 . PRO A 1 126 ? -29.515 29.864 -23.962 1.0 26.27 ? 116 A 1 +ATOM 2149 H HG3 . PRO A 1 126 ? -28.407 30.355 -24.991 1.0 26.27 ? 116 A 1 +ATOM 2150 H HD2 . PRO A 1 126 ? -30.222 28.585 -25.638 1.0 24.76 ? 116 A 1 +ATOM 2151 H HD3 . PRO A 1 126 ? -28.831 28.69 -26.4 1.0 24.76 ? 116 A 1 +ATOM 2152 N N . ASP A 1 127 ? -30.407 27.38 -22.618 1.0 18.94 ? 117 A 1 +ATOM 2153 C CA . ASP A 1 127 ? -31.258 27.71 -21.491 1.0 19.75 ? 117 A 1 +ATOM 2154 C C . ASP A 1 127 ? -31.505 26.513 -20.584 1.0 18.99 ? 117 A 1 +ATOM 2155 O O . ASP A 1 127 ? -31.697 26.69 -19.378 1.0 20.4 ? 117 A 1 +ATOM 2156 C CB . ASP A 1 127 ? -32.604 28.267 -21.96 1.0 23.81 ? 117 A 1 +ATOM 2157 C CG . ASP A 1 127 ? -32.46 29.595 -22.67 1.0 27.12 ? 117 A 1 +ATOM 2158 O OD1 . ASP A 1 127 ? -31.499 30.356 -22.405 1.0 26.44 ? 117 A 1 +ATOM 2159 O OD2 . ASP A 1 127 ? -33.327 29.924 -23.519 1.0 33.63 ? 117 A 1 +ATOM 2160 H H . ASP A 1 127 ? -30.827 27.267 -23.36 1.0 22.73 ? 117 A 1 +ATOM 2161 H HA . ASP A 1 127 ? -30.809 28.402 -20.98 1.0 23.69 ? 117 A 1 +ATOM 2162 H HB2 . ASP A 1 127 ? -33.011 27.638 -22.576 1.0 28.57 ? 117 A 1 +ATOM 2163 H HB3 . ASP A 1 127 ? -33.18 28.398 -21.19 1.0 28.57 ? 117 A 1 +ATOM 2164 N N . VAL A 1 128 ? -31.536 25.292 -21.111 1.0 18.95 ? 118 A 1 +ATOM 2165 C CA . VAL A 1 128 ? -31.775 24.143 -20.252 1.0 18.63 ? 118 A 1 +ATOM 2166 C C . VAL A 1 128 ? -30.578 23.98 -19.309 1.0 18.64 ? 118 A 1 +ATOM 2167 O O . VAL A 1 128 ? -30.745 23.726 -18.103 1.0 17.85 ? 118 A 1 +ATOM 2168 C CB . VAL A 1 128 ? -32.042 22.856 -21.04 1.0 19.76 ? 118 A 1 +ATOM 2169 C CG1 . VAL A 1 128 ? -32.447 21.737 -20.118 1.0 20.84 ? 118 A 1 +ATOM 2170 C CG2 . VAL A 1 128 ? -33.15 23.053 -22.11 1.0 21.88 ? 118 A 1 +ATOM 2171 H H . VAL A 1 128 ? -31.425 25.108 -21.944 1.0 22.74 ? 118 A 1 +ATOM 2172 H HA . VAL A 1 128 ? -32.583 24.313 -19.743 1.0 22.36 ? 118 A 1 +ATOM 2173 H HB . VAL A 1 128 ? -31.216 22.623 -21.492 1.0 23.71 ? 118 A 1 +ATOM 2174 H HG11 . VAL A 1 128 ? -32.702 20.966 -20.649 1.0 25.0 ? 118 A 1 +ATOM 2175 H HG12 . VAL A 1 128 ? -31.697 21.511 -19.546 1.0 25.0 ? 118 A 1 +ATOM 2176 H HG13 . VAL A 1 128 ? -33.199 22.029 -19.578 1.0 25.0 ? 118 A 1 +ATOM 2177 H HG21 . VAL A 1 128 ? -33.316 22.206 -22.552 1.0 26.26 ? 118 A 1 +ATOM 2178 H HG22 . VAL A 1 128 ? -33.96 23.362 -21.673 1.0 26.26 ? 118 A 1 +ATOM 2179 H HG23 . VAL A 1 128 ? -32.852 23.711 -22.757 1.0 26.26 ? 118 A 1 +ATOM 2180 N N . ILE A 1 129 ? -29.363 24.141 -19.826 1.0 16.04 ? 119 A 1 +ATOM 2181 C CA . ILE A 1 129 ? -28.16 24.112 -18.982 1.0 16.29 ? 119 A 1 +ATOM 2182 C C . ILE A 1 129 ? -28.243 25.182 -17.917 1.0 15.88 ? 119 A 1 +ATOM 2183 O O . ILE A 1 129 ? -27.981 24.904 -16.737 1.0 15.79 ? 119 A 1 +ATOM 2184 C CB . ILE A 1 129 ? -26.903 24.344 -19.833 1.0 16.22 ? 119 A 1 +ATOM 2185 C CG1 . ILE A 1 129 ? -26.707 23.256 -20.891 1.0 16.97 ? 119 A 1 +ATOM 2186 C CG2 . ILE A 1 129 ? -25.667 24.489 -18.964 1.0 14.94 ? 119 A 1 +ATOM 2187 C CD1 . ILE A 1 129 ? -26.678 21.857 -20.357 1.0 18.29 ? 119 A 1 +ATOM 2188 H H . ILE A 1 129 ? -29.201 24.269 -20.661 1.0 19.25 ? 119 A 1 +ATOM 2189 H HA . ILE A 1 129 ? -28.112 23.239 -18.563 1.0 19.55 ? 119 A 1 +ATOM 2190 H HB . ILE A 1 129 ? -27.043 25.179 -20.307 1.0 19.47 ? 119 A 1 +ATOM 2191 H HG12 . ILE A 1 129 ? -27.437 23.31 -21.528 1.0 20.36 ? 119 A 1 +ATOM 2192 H HG13 . ILE A 1 129 ? -25.862 23.414 -21.341 1.0 20.36 ? 119 A 1 +ATOM 2193 H HG21 . ILE A 1 129 ? -24.878 24.338 -19.509 1.0 17.93 ? 119 A 1 +ATOM 2194 H HG22 . ILE A 1 129 ? -25.645 25.385 -18.592 1.0 17.93 ? 119 A 1 +ATOM 2195 H HG23 . ILE A 1 129 ? -25.704 23.835 -18.249 1.0 17.93 ? 119 A 1 +ATOM 2196 H HD11 . ILE A 1 129 ? -26.396 21.255 -21.063 1.0 21.95 ? 119 A 1 +ATOM 2197 H HD12 . ILE A 1 129 ? -26.052 21.814 -19.617 1.0 21.95 ? 119 A 1 +ATOM 2198 H HD13 . ILE A 1 129 ? -27.567 21.617 -20.053 1.0 21.95 ? 119 A 1 +ATOM 2199 N N . SER A 1 130 ? -28.621 26.41 -18.268 1.0 16.3 ? 120 A 1 +ATOM 2200 C CA . SER A 1 130 ? -28.699 27.469 -17.257 1.0 15.71 ? 120 A 1 +ATOM 2201 C C . SER A 1 130 ? -29.637 27.087 -16.136 1.0 18.12 ? 120 A 1 +ATOM 2202 O O . SER A 1 130 ? -29.318 27.286 -14.968 1.0 19.04 ? 120 A 1 +ATOM 2203 C CB . SER A 1 130 ? -29.164 28.768 -17.869 1.0 18.76 ? 120 A 1 +ATOM 2204 O OG . SER A 1 130 ? -28.172 29.208 -18.769 1.0 19.8 ? 120 A 1 +ATOM 2205 H H . SER A 1 130 ? -28.834 26.653 -19.065 1.0 19.56 ? 120 A 1 +ATOM 2206 H HA . SER A 1 130 ? -27.807 27.602 -16.899 1.0 18.85 ? 120 A 1 +ATOM 2207 H HB2 . SER A 1 130 ? -29.997 28.625 -18.345 1.0 22.52 ? 120 A 1 +ATOM 2208 H HB3 . SER A 1 130 ? -29.29 29.431 -17.172 1.0 22.52 ? 120 A 1 +ATOM 2209 H HG . SER A 1 130 ? -28.412 29.926 -19.132 1.0 23.75 ? 120 A 1 +ATOM 2210 N N . ASP A 1 131 ? -30.768 26.516 -16.452 1.0 18.03 ? 121 A 1 +ATOM 2211 C CA . ASP A 1 131 ? -31.736 26.153 -15.436 1.0 21.53 ? 121 A 1 +ATOM 2212 C C . ASP A 1 131 ? -31.179 25.072 -14.53 1.0 19.58 ? 121 A 1 +ATOM 2213 O O . ASP A 1 131 ? -31.334 25.134 -13.298 1.0 20.13 ? 121 A 1 +ATOM 2214 C CB . ASP A 1 131 ? -33.02 25.587 -16.077 1.0 25.56 ? 121 A 1 +ATOM 2215 C CG . ASP A 1 131 ? -33.826 26.597 -16.854 1.0 54.82 ? 121 A 1 +ATOM 2216 O OD1 . ASP A 1 131 ? -33.747 27.796 -16.551 1.0 34.2 ? 121 A 1 +ATOM 2217 O OD2 . ASP A 1 131 ? -34.588 26.151 -17.746 1.0 41.48 ? 121 A 1 +ATOM 2218 H H . ASP A 1 131 ? -31.011 26.322 -17.254 1.0 21.64 ? 121 A 1 +ATOM 2219 H HA . ASP A 1 131 ? -31.948 26.956 -14.935 1.0 25.83 ? 121 A 1 +ATOM 2220 H HB2 . ASP A 1 131 ? -32.774 24.876 -16.689 1.0 30.67 ? 121 A 1 +ATOM 2221 H HB3 . ASP A 1 131 ? -33.589 25.237 -15.374 1.0 30.67 ? 121 A 1 +ATOM 2222 N N . ILE A 1 132 ? -30.54 24.065 -15.112 1.0 16.61 ? 122 A 1 +ATOM 2223 C CA . ILE A 1 132 ? -29.942 22.991 -14.327 1.0 18.11 ? 122 A 1 +ATOM 2224 C C . ILE A 1 132 ? -28.866 23.538 -13.399 1.0 16.92 ? 122 A 1 +ATOM 2225 O O . ILE A 1 132 ? -28.793 23.17 -12.214 1.0 17.4 ? 122 A 1 +ATOM 2226 C CB . ILE A 1 132 ? -29.383 21.899 -15.25 1.0 17.21 ? 122 A 1 +ATOM 2227 C CG1 . ILE A 1 132 ? -30.544 21.168 -15.934 1.0 18.78 ? 122 A 1 +ATOM 2228 C CG2 . ILE A 1 132 ? -28.549 20.896 -14.458 1.0 17.25 ? 122 A 1 +ATOM 2229 C CD1 . ILE A 1 132 ? -30.1 20.363 -17.2 1.0 19.21 ? 122 A 1 +ATOM 2230 H H . ILE A 1 132 ? -30.438 23.978 -15.961 1.0 19.94 ? 122 A 1 +ATOM 2231 H HA . ILE A 1 132 ? -30.635 22.595 -13.776 1.0 21.73 ? 122 A 1 +ATOM 2232 H HB . ILE A 1 132 ? -28.816 22.319 -15.915 1.0 20.65 ? 122 A 1 +ATOM 2233 H HG12 . ILE A 1 132 ? -30.937 20.543 -15.305 1.0 22.53 ? 122 A 1 +ATOM 2234 H HG13 . ILE A 1 132 ? -31.207 21.82 -16.212 1.0 22.53 ? 122 A 1 +ATOM 2235 H HG21 . ILE A 1 132 ? -28.434 20.092 -14.988 1.0 20.7 ? 122 A 1 +ATOM 2236 H HG22 . ILE A 1 132 ? -27.684 21.289 -14.262 1.0 20.7 ? 122 A 1 +ATOM 2237 H HG23 . ILE A 1 132 ? -29.01 20.684 -13.631 1.0 20.7 ? 122 A 1 +ATOM 2238 H HD11 . ILE A 1 132 ? -30.883 19.968 -17.614 1.0 23.05 ? 122 A 1 +ATOM 2239 H HD12 . ILE A 1 132 ? -29.665 20.968 -17.822 1.0 23.05 ? 122 A 1 +ATOM 2240 H HD13 . ILE A 1 132 ? -29.481 19.666 -16.93 1.0 23.05 ? 122 A 1 +ATOM 2241 N N . VAL A 1 133 ? -27.961 24.353 -13.922 1.0 15.95 ? 123 A 1 +ATOM 2242 C CA . VAL A 1 133 ? -26.894 24.953 -13.131 1.0 16.3 ? 123 A 1 +ATOM 2243 C C . VAL A 1 133 ? -27.455 25.736 -11.963 1.0 17.8 ? 123 A 1 +ATOM 2244 O O . VAL A 1 133 ? -26.947 25.594 -10.831 1.0 17.54 ? 123 A 1 +ATOM 2245 C CB . VAL A 1 133 ? -25.994 25.826 -14.02 1.0 16.81 ? 123 A 1 +ATOM 2246 C CG1 . VAL A 1 133 ? -25.044 26.622 -13.17 1.0 16.85 ? 123 A 1 +ATOM 2247 C CG2 . VAL A 1 133 ? -25.229 25.007 -15.014 1.0 16.34 ? 123 A 1 +ATOM 2248 H H . VAL A 1 133 ? -27.94 24.581 -14.75 1.0 19.14 ? 123 A 1 +ATOM 2249 H HA . VAL A 1 133 ? -26.352 24.235 -12.767 1.0 19.56 ? 123 A 1 +ATOM 2250 H HB . VAL A 1 133 ? -26.564 26.433 -14.519 1.0 20.18 ? 123 A 1 +ATOM 2251 H HG11 . VAL A 1 133 ? -24.301 26.918 -13.718 1.0 20.23 ? 123 A 1 +ATOM 2252 H HG12 . VAL A 1 133 ? -25.513 27.389 -12.805 1.0 20.23 ? 123 A 1 +ATOM 2253 H HG13 . VAL A 1 133 ? -24.719 26.06 -12.449 1.0 20.23 ? 123 A 1 +ATOM 2254 H HG21 . VAL A 1 133 ? -24.713 25.601 -15.581 1.0 19.61 ? 123 A 1 +ATOM 2255 H HG22 . VAL A 1 133 ? -24.636 24.406 -14.537 1.0 19.61 ? 123 A 1 +ATOM 2256 H HG23 . VAL A 1 133 ? -25.855 24.497 -15.551 1.0 19.61 ? 123 A 1 +ATOM 2257 N N . LYS A 1 134 ? -28.479 26.538 -12.171 1.0 17.29 ? 124 A 1 +ATOM 2258 C CA . LYS A 1 134 ? -29.066 27.31 -11.083 1.0 18.56 ? 124 A 1 +ATOM 2259 C C . LYS A 1 134 ? -29.567 26.39 -9.993 1.0 18.72 ? 124 A 1 +ATOM 2260 O O . LYS A 1 134 ? -29.358 26.663 -8.775 1.0 20.13 ? 124 A 1 +ATOM 2261 C CB . LYS A 1 134 ? -30.196 28.168 -11.628 1.0 21.03 ? 124 A 1 +ATOM 2262 C CG . LYS A 1 134 ? -29.718 29.417 -12.337 1.0 24.5 ? 124 A 1 +ATOM 2263 C CD . LYS A 1 134 ? -30.874 30.249 -12.911 1.0 33.56 ? 124 A 1 +ATOM 2264 C CE . LYS A 1 134 ? -30.336 31.35 -13.855 1.0 52.79 ? 124 A 1 +ATOM 2265 N NZ . LYS A 1 134 ? -31.418 32.046 -14.625 1.0 67.53 ? 124 A 1 +ATOM 2266 H H . LYS A 1 134 ? -28.859 26.659 -12.933 1.0 20.75 ? 124 A 1 +ATOM 2267 H HA . LYS A 1 134 ? -28.399 27.899 -10.698 1.0 22.27 ? 124 A 1 +ATOM 2268 H HB2 . LYS A 1 134 ? -30.708 27.644 -12.263 1.0 25.23 ? 124 A 1 +ATOM 2269 H HB3 . LYS A 1 134 ? -30.763 28.443 -10.891 1.0 25.23 ? 124 A 1 +ATOM 2270 H HG2 . LYS A 1 134 ? -29.232 29.973 -11.708 1.0 29.4 ? 124 A 1 +ATOM 2271 H HG3 . LYS A 1 134 ? -29.138 29.163 -13.072 1.0 29.4 ? 124 A 1 +ATOM 2272 H HD2 . LYS A 1 134 ? -31.469 29.673 -13.416 1.0 40.28 ? 124 A 1 +ATOM 2273 H HD3 . LYS A 1 134 ? -31.359 30.674 -12.186 1.0 40.28 ? 124 A 1 +ATOM 2274 H HE2 . LYS A 1 134 ? -29.869 32.017 -13.328 1.0 63.35 ? 124 A 1 +ATOM 2275 H HE3 . LYS A 1 134 ? -29.727 30.947 -14.494 1.0 63.35 ? 124 A 1 +ATOM 2276 H HZ1 . LYS A 1 134 ? -31.064 32.674 -15.148 1.0 81.04 ? 124 A 1 +ATOM 2277 H HZ2 . LYS A 1 134 ? -31.855 31.46 -15.133 1.0 81.04 ? 124 A 1 +ATOM 2278 H HZ3 . LYS A 1 134 ? -31.994 32.428 -14.064 1.0 81.04 ? 124 A 1 +ATOM 2279 N N . GLU A 1 135 ? -30.19 25.274 -10.379 1.0 18.74 ? 125 A 1 +ATOM 2280 C CA . GLU A 1 135 ? -30.693 24.349 -9.356 1.0 19.77 ? 125 A 1 +ATOM 2281 C C . GLU A 1 135 ? -29.561 23.703 -8.6 1.0 17.22 ? 125 A 1 +ATOM 2282 O O . GLU A 1 135 ? -29.648 23.534 -7.379 1.0 19.06 ? 125 A 1 +ATOM 2283 C CB . GLU A 1 135 ? -31.586 23.271 -9.971 1.0 21.49 ? 125 A 1 +ATOM 2284 C CG . GLU A 1 135 ? -32.895 23.816 -10.465 1.0 23.31 ? 125 A 1 +ATOM 2285 C CD . GLU A 1 135 ? -33.636 24.498 -9.346 1.0 46.33 ? 125 A 1 +ATOM 2286 O OE1 . GLU A 1 135 ? -33.863 23.851 -8.318 1.0 31.61 ? 125 A 1 +ATOM 2287 O OE2 . GLU A 1 135 ? -33.893 25.699 -9.44 1.0 36.83 ? 125 A 1 +ATOM 2288 H H . GLU A 1 135 ? -30.331 25.036 -11.193 1.0 22.49 ? 125 A 1 +ATOM 2289 H HA . GLU A 1 135 ? -31.235 24.862 -8.736 1.0 23.72 ? 125 A 1 +ATOM 2290 H HB2 . GLU A 1 135 ? -31.123 22.87 -10.723 1.0 25.78 ? 125 A 1 +ATOM 2291 H HB3 . GLU A 1 135 ? -31.775 22.597 -9.3 1.0 25.78 ? 125 A 1 +ATOM 2292 H HG2 . GLU A 1 135 ? -32.732 24.464 -11.169 1.0 27.97 ? 125 A 1 +ATOM 2293 H HG3 . GLU A 1 135 ? -33.442 23.09 -10.803 1.0 27.97 ? 125 A 1 +ATOM 2294 N N . ILE A 1 136 ? -28.478 23.299 -9.25 1.0 16.87 ? 126 A 1 +ATOM 2295 C CA . ILE A 1 136 ? -27.406 22.628 -8.556 1.0 16.82 ? 126 A 1 +ATOM 2296 C C . ILE A 1 136 ? -26.659 23.602 -7.672 1.0 16.47 ? 126 A 1 +ATOM 2297 O O . ILE A 1 136 ? -26.235 23.246 -6.551 1.0 17.0 ? 126 A 1 +ATOM 2298 C CB . ILE A 1 136 ? -26.489 21.878 -9.539 1.0 16.66 ? 126 A 1 +ATOM 2299 C CG1 . ILE A 1 136 ? -27.303 20.81 -10.251 1.0 17.13 ? 126 A 1 +ATOM 2300 C CG2 . ILE A 1 136 ? -25.303 21.289 -8.789 1.0 16.76 ? 126 A 1 +ATOM 2301 C CD1 . ILE A 1 136 ? -26.543 20.113 -11.396 1.0 16.7 ? 126 A 1 +ATOM 2302 H H . ILE A 1 136 ? -28.345 23.404 -10.094 1.0 20.25 ? 126 A 1 +ATOM 2303 H HA . ILE A 1 136 ? -27.789 21.95 -7.977 1.0 20.19 ? 126 A 1 +ATOM 2304 H HB . ILE A 1 136 ? -26.137 22.487 -10.207 1.0 19.99 ? 126 A 1 +ATOM 2305 H HG12 . ILE A 1 136 ? -27.557 20.13 -9.607 1.0 20.56 ? 126 A 1 +ATOM 2306 H HG13 . ILE A 1 136 ? -28.096 21.221 -10.629 1.0 20.56 ? 126 A 1 +ATOM 2307 H HG21 . ILE A 1 136 ? -24.832 20.676 -9.374 1.0 20.11 ? 126 A 1 +ATOM 2308 H HG22 . ILE A 1 136 ? -24.712 22.009 -8.519 1.0 20.11 ? 126 A 1 +ATOM 2309 H HG23 . ILE A 1 136 ? -25.628 20.817 -8.006 1.0 20.11 ? 126 A 1 +ATOM 2310 H HD11 . ILE A 1 136 ? -27.16 19.552 -11.89 1.0 20.03 ? 126 A 1 +ATOM 2311 H HD12 . ILE A 1 136 ? -26.168 20.789 -11.983 1.0 20.03 ? 126 A 1 +ATOM 2312 H HD13 . ILE A 1 136 ? -25.832 19.572 -11.019 1.0 20.03 ? 126 A 1 +ATOM 2313 N N . LYS A 1 137 ? -26.519 24.854 -8.07 1.0 16.93 ? 127 A 1 +ATOM 2314 C CA . LYS A 1 137 ? -25.833 25.821 -7.245 1.0 16.98 ? 127 A 1 +ATOM 2315 C C . LYS A 1 137 ? -26.57 26.077 -5.933 1.0 17.71 ? 127 A 1 +ATOM 2316 O O . LYS A 1 137 ? -25.908 26.372 -4.92 1.0 19.25 ? 127 A 1 +ATOM 2317 C CB . LYS A 1 137 ? -25.619 27.137 -7.997 1.0 17.84 ? 127 A 1 +ATOM 2318 C CG . LYS A 1 137 ? -24.492 27.029 -9.077 1.0 17.36 ? 127 A 1 +ATOM 2319 C CD . LYS A 1 137 ? -23.122 26.709 -8.519 1.0 19.07 ? 127 A 1 +ATOM 2320 C CE . LYS A 1 137 ? -22.619 27.882 -7.761 1.0 20.9 ? 127 A 1 +ATOM 2321 N NZ . LYS A 1 137 ? -21.329 27.563 -7.14 1.0 21.64 ? 127 A 1 +ATOM 2322 H H . LYS A 1 137 ? -26.812 25.167 -8.815 1.0 20.32 ? 127 A 1 +ATOM 2323 H HA . LYS A 1 137 ? -24.957 25.46 -7.036 1.0 20.38 ? 127 A 1 +ATOM 2324 H HB2 . LYS A 1 137 ? -26.443 27.385 -8.445 1.0 21.41 ? 127 A 1 +ATOM 2325 H HB3 . LYS A 1 137 ? -25.365 27.826 -7.364 1.0 21.41 ? 127 A 1 +ATOM 2326 H HG2 . LYS A 1 137 ? -24.726 26.324 -9.701 1.0 20.84 ? 127 A 1 +ATOM 2327 H HG3 . LYS A 1 137 ? -24.427 27.877 -9.544 1.0 20.84 ? 127 A 1 +ATOM 2328 H HD2 . LYS A 1 137 ? -23.179 25.948 -7.919 1.0 22.89 ? 127 A 1 +ATOM 2329 H HD3 . LYS A 1 137 ? -22.507 26.515 -9.243 1.0 22.89 ? 127 A 1 +ATOM 2330 H HE2 . LYS A 1 137 ? -22.497 28.633 -8.364 1.0 25.08 ? 127 A 1 +ATOM 2331 H HE3 . LYS A 1 137 ? -23.251 28.116 -7.063 1.0 25.08 ? 127 A 1 +ATOM 2332 H HZ1 . LYS A 1 137 ? -21.424 26.884 -6.573 1.0 25.97 ? 127 A 1 +ATOM 2333 H HZ2 . LYS A 1 137 ? -20.738 27.336 -7.765 1.0 25.97 ? 127 A 1 +ATOM 2334 H HZ3 . LYS A 1 137 ? -21.022 28.27 -6.695 1.0 25.97 ? 127 A 1 +ATOM 2335 N N . LYS A 1 138 ? -27.876 25.872 -5.888 1.0 17.14 ? 128 A 1 +ATOM 2336 C CA . LYS A 1 138 ? -28.618 25.978 -4.634 1.0 17.79 ? 128 A 1 +ATOM 2337 C C . LYS A 1 138 ? -28.208 24.897 -3.629 1.0 17.59 ? 128 A 1 +ATOM 2338 O O . LYS A 1 138 ? -28.516 25.045 -2.436 1.0 18.27 ? 128 A 1 +ATOM 2339 C CB . LYS A 1 138 ? -30.125 25.887 -4.903 1.0 19.53 ? 128 A 1 +ATOM 2340 C CG . LYS A 1 138 ? -30.653 27.036 -5.743 1.0 20.47 ? 128 A 1 +ATOM 2341 C CD . LYS A 1 138 ? -32.128 26.89 -6.009 1.0 24.65 ? 128 A 1 +ATOM 2342 C CE . LYS A 1 138 ? -32.611 27.993 -6.943 1.0 29.55 ? 128 A 1 +ATOM 2343 N NZ . LYS A 1 138 ? -34.01 27.755 -7.363 1.0 39.49 ? 128 A 1 +ATOM 2344 H H . LYS A 1 138 ? -28.361 25.668 -6.568 1.0 20.57 ? 128 A 1 +ATOM 2345 H HA . LYS A 1 138 ? -28.435 26.845 -4.239 1.0 21.35 ? 128 A 1 +ATOM 2346 H HB2 . LYS A 1 138 ? -30.31 25.061 -5.378 1.0 23.44 ? 128 A 1 +ATOM 2347 H HB3 . LYS A 1 138 ? -30.596 25.895 -4.056 1.0 23.44 ? 128 A 1 +ATOM 2348 H HG2 . LYS A 1 138 ? -30.51 27.872 -5.272 1.0 24.57 ? 128 A 1 +ATOM 2349 H HG3 . LYS A 1 138 ? -30.189 27.052 -6.595 1.0 24.57 ? 128 A 1 +ATOM 2350 H HD2 . LYS A 1 138 ? -32.299 26.032 -6.429 1.0 29.58 ? 128 A 1 +ATOM 2351 H HD3 . LYS A 1 138 ? -32.617 26.955 -5.175 1.0 29.58 ? 128 A 1 +ATOM 2352 H HE2 . LYS A 1 138 ? -32.568 28.847 -6.485 1.0 35.46 ? 128 A 1 +ATOM 2353 H HE3 . LYS A 1 138 ? -32.051 28.014 -7.736 1.0 35.46 ? 128 A 1 +ATOM 2354 H HZ1 . LYS A 1 138 ? -34.278 28.404 -7.909 1.0 47.38 ? 128 A 1 +ATOM 2355 H HZ2 . LYS A 1 138 ? -34.072 26.976 -7.788 1.0 47.38 ? 128 A 1 +ATOM 2356 H HZ3 . LYS A 1 138 ? -34.542 27.739 -6.65 1.0 47.38 ? 128 A 1 +ATOM 2357 N N . MET A 1 139 ? -27.548 23.847 -4.051 1.0 17.96 ? 129 A 1 +ATOM 2358 C CA . MET A 1 139 ? -27.159 22.735 -3.185 1.0 17.99 ? 129 A 1 +ATOM 2359 C C . MET A 1 139 ? -25.878 23.031 -2.452 1.0 20.55 ? 129 A 1 +ATOM 2360 O O . MET A 1 139 ? -25.442 22.179 -1.669 1.0 22.4 ? 129 A 1 +ATOM 2361 C CB . MET A 1 139 ? -27.044 21.46 -4.008 1.0 18.54 ? 129 A 1 +ATOM 2362 C CG . MET A 1 139 ? -28.289 21.087 -4.769 1.0 18.58 ? 129 A 1 +ATOM 2363 S SD . MET A 1 139 ? -28.029 19.662 -5.815 1.0 18.99 ? 129 A 1 +ATOM 2364 C CE . MET A 1 139 ? -29.589 19.709 -6.729 1.0 22.17 ? 129 A 1 +ATOM 2365 H H . MET A 1 139 ? -27.299 23.739 -4.867 1.0 21.55 ? 129 A 1 +ATOM 2366 H HA . MET A 1 139 ? -27.852 22.567 -2.527 1.0 21.59 ? 129 A 1 +ATOM 2367 H HB2 . MET A 1 139 ? -26.329 21.573 -4.654 1.0 22.25 ? 129 A 1 +ATOM 2368 H HB3 . MET A 1 139 ? -26.836 20.725 -3.409 1.0 22.25 ? 129 A 1 +ATOM 2369 H HG2 . MET A 1 139 ? -28.998 20.878 -4.14 1.0 22.29 ? 129 A 1 +ATOM 2370 H HG3 . MET A 1 139 ? -28.555 21.832 -5.331 1.0 22.29 ? 129 A 1 +ATOM 2371 H HE1 . MET A 1 139 ? -29.606 18.977 -7.365 1.0 26.61 ? 129 A 1 +ATOM 2372 H HE2 . MET A 1 139 ? -30.325 19.621 -6.103 1.0 26.61 ? 129 A 1 +ATOM 2373 H HE3 . MET A 1 139 ? -29.654 20.556 -7.199 1.0 26.61 ? 129 A 1 +ATOM 2374 N N . GLY A 1 140 ? -25.212 24.152 -2.691 1.0 16.86 ? 130 A 1 +ATOM 2375 C CA . GLY A 1 140 ? -24.04 24.516 -1.921 1.0 18.96 ? 130 A 1 +ATOM 2376 C C . GLY A 1 140 ? -22.727 23.95 -2.397 1.0 18.87 ? 130 A 1 +ATOM 2377 O O . GLY A 1 140 ? -21.744 23.892 -1.638 1.0 20.3 ? 130 A 1 +ATOM 2378 H H . GLY A 1 140 ? -25.422 24.722 -3.3 1.0 20.23 ? 130 A 1 +ATOM 2379 H HA2 . GLY A 1 140 ? -23.959 25.482 -1.928 1.0 22.75 ? 130 A 1 +ATOM 2380 H HA3 . GLY A 1 140 ? -24.17 24.216 -1.008 1.0 22.75 ? 130 A 1 +ATOM 2381 N N . VAL A 1 141 ? -22.65 23.574 -3.659 1.0 16.33 ? 131 A 1 +ATOM 2382 C CA . VAL A 1 141 ? -21.482 22.943 -4.27 1.0 16.2 ? 131 A 1 +ATOM 2383 C C . VAL A 1 141 ? -20.997 23.767 -5.466 1.0 15.36 ? 131 A 1 +ATOM 2384 O O . VAL A 1 141 ? -21.696 24.641 -5.97 1.0 17.31 ? 131 A 1 +ATOM 2385 C CB . VAL A 1 141 ? -21.766 21.487 -4.682 1.0 16.54 ? 131 A 1 +ATOM 2386 C CG1 . VAL A 1 141 ? -22.029 20.654 -3.438 1.0 19.47 ? 131 A 1 +ATOM 2387 C CG2 . VAL A 1 141 ? -22.888 21.44 -5.733 1.0 18.49 ? 131 A 1 +ATOM 2388 H H . VAL A 1 141 ? -23.294 23.678 -4.219 1.0 19.59 ? 131 A 1 +ATOM 2389 H HA . VAL A 1 141 ? -20.762 22.948 -3.619 1.0 19.44 ? 131 A 1 +ATOM 2390 H HB . VAL A 1 141 ? -20.996 21.087 -5.115 1.0 19.84 ? 131 A 1 +ATOM 2391 H HG11 . VAL A 1 141 ? -22.086 19.719 -3.691 1.0 23.36 ? 131 A 1 +ATOM 2392 H HG12 . VAL A 1 141 ? -21.301 20.783 -2.811 1.0 23.36 ? 131 A 1 +ATOM 2393 H HG13 . VAL A 1 141 ? -22.865 20.94 -3.038 1.0 23.36 ? 131 A 1 +ATOM 2394 H HG21 . VAL A 1 141 ? -23.115 20.514 -5.912 1.0 22.19 ? 131 A 1 +ATOM 2395 H HG22 . VAL A 1 141 ? -23.664 21.909 -5.388 1.0 22.19 ? 131 A 1 +ATOM 2396 H HG23 . VAL A 1 141 ? -22.578 21.868 -6.546 1.0 22.19 ? 131 A 1 +ATOM 2397 N N . ALA A 1 142 ? -19.8 23.446 -5.924 1.0 14.53 ? 132 A 1 +ATOM 2398 C CA . ALA A 1 142 ? -19.285 24.01 -7.175 1.0 14.5 ? 132 A 1 +ATOM 2399 C C . ALA A 1 142 ? -19.84 23.24 -8.361 1.0 14.41 ? 132 A 1 +ATOM 2400 O O . ALA A 1 142 ? -20.17 22.058 -8.255 1.0 14.0 ? 132 A 1 +ATOM 2401 C CB . ALA A 1 142 ? -17.772 23.902 -7.196 1.0 15.14 ? 132 A 1 +ATOM 2402 H H . ALA A 1 142 ? -19.26 22.903 -5.533 1.0 17.44 ? 132 A 1 +ATOM 2403 H HA . ALA A 1 142 ? -19.545 24.941 -7.249 1.0 17.4 ? 132 A 1 +ATOM 2404 H HB1 . ALA A 1 142 ? -17.442 24.259 -8.035 1.0 18.17 ? 132 A 1 +ATOM 2405 H HB2 . ALA A 1 142 ? -17.409 24.41 -6.454 1.0 18.17 ? 132 A 1 +ATOM 2406 H HB3 . ALA A 1 142 ? -17.521 22.968 -7.112 1.0 18.17 ? 132 A 1 +ATOM 2407 N N . VAL A 1 143 ? -19.96 23.939 -9.484 1.0 14.13 ? 133 A 1 +ATOM 2408 C CA . VAL A 1 143 ? -20.405 23.344 -10.743 1.0 13.94 ? 133 A 1 +ATOM 2409 C C . VAL A 1 143 ? -19.333 23.551 -11.796 1.0 14.39 ? 133 A 1 +ATOM 2410 O O . VAL A 1 143 ? -18.883 24.686 -12.05 1.0 14.63 ? 133 A 1 +ATOM 2411 C CB . VAL A 1 143 ? -21.728 23.926 -11.204 1.0 14.94 ? 133 A 1 +ATOM 2412 C CG1 . VAL A 1 143 ? -22.057 23.464 -12.623 1.0 16.57 ? 133 A 1 +ATOM 2413 C CG2 . VAL A 1 143 ? -22.834 23.507 -10.242 1.0 16.54 ? 133 A 1 +ATOM 2414 H H . VAL A 1 143 ? -19.787 24.78 -9.544 1.0 16.96 ? 133 A 1 +ATOM 2415 H HA . VAL A 1 143 ? -20.515 22.389 -10.612 1.0 16.73 ? 133 A 1 +ATOM 2416 H HB . VAL A 1 143 ? -21.665 24.894 -11.213 1.0 17.92 ? 133 A 1 +ATOM 2417 H HG11 . VAL A 1 143 ? -23.0 23.616 -12.794 1.0 19.88 ? 133 A 1 +ATOM 2418 H HG12 . VAL A 1 143 ? -21.521 23.971 -13.252 1.0 19.88 ? 133 A 1 +ATOM 2419 H HG13 . VAL A 1 143 ? -21.855 22.519 -12.702 1.0 19.88 ? 133 A 1 +ATOM 2420 H HG21 . VAL A 1 143 ? -23.672 23.898 -10.535 1.0 19.85 ? 133 A 1 +ATOM 2421 H HG22 . VAL A 1 143 ? -22.902 22.539 -10.242 1.0 19.85 ? 133 A 1 +ATOM 2422 H HG23 . VAL A 1 143 ? -22.614 23.823 -9.352 1.0 19.85 ? 133 A 1 +ATOM 2423 N N . THR A 1 144 ? -18.962 22.461 -12.445 1.0 12.72 ? 134 A 1 +ATOM 2424 C CA . THR A 1 144 ? -18.064 22.447 -13.596 1.0 12.7 ? 134 A 1 +ATOM 2425 C C . THR A 1 144 ? -18.851 21.987 -14.805 1.0 13.16 ? 134 A 1 +ATOM 2426 O O . THR A 1 144 ? -19.548 20.973 -14.742 1.0 14.3 ? 134 A 1 +ATOM 2427 C CB . THR A 1 144 ? -16.914 21.512 -13.383 1.0 13.07 ? 134 A 1 +ATOM 2428 O OG1 . THR A 1 144 ? -16.163 22.04 -12.249 1.0 14.42 ? 134 A 1 +ATOM 2429 C CG2 . THR A 1 144 ? -15.999 21.41 -14.599 1.0 13.95 ? 134 A 1 +ATOM 2430 H H . THR A 1 144 ? -19.229 21.672 -12.228 1.0 15.27 ? 134 A 1 +ATOM 2431 H HA . THR A 1 144 ? -17.714 23.339 -13.743 1.0 15.24 ? 134 A 1 +ATOM 2432 H HB . THR A 1 144 ? -17.237 20.611 -13.225 1.0 15.68 ? 134 A 1 +ATOM 2433 H HG1 . THR A 1 144 ? -15.493 21.557 -12.098 1.0 17.31 ? 134 A 1 +ATOM 2434 H HG21 . THR A 1 144 ? -15.185 20.939 -14.363 1.0 16.74 ? 134 A 1 +ATOM 2435 H HG22 . THR A 1 144 ? -16.447 20.927 -15.311 1.0 16.74 ? 134 A 1 +ATOM 2436 H HG23 . THR A 1 144 ? -15.769 22.297 -14.917 1.0 16.74 ? 134 A 1 +ATOM 2437 N N . LEU A 1 145 ? -18.748 22.731 -15.921 1.0 13.36 ? 135 A 1 +ATOM 2438 C CA . LEU A 1 145 ? -19.361 22.335 -17.195 1.0 12.46 ? 135 A 1 +ATOM 2439 C C . LEU A 1 145 ? -18.287 21.798 -18.119 1.0 12.7 ? 135 A 1 +ATOM 2440 O O . LEU A 1 145 ? -17.165 22.285 -18.139 1.0 12.96 ? 135 A 1 +ATOM 2441 C CB . LEU A 1 145 ? -20.052 23.529 -17.832 1.0 13.9 ? 135 A 1 +ATOM 2442 C CG . LEU A 1 145 ? -21.195 24.155 -17.011 1.0 13.81 ? 135 A 1 +ATOM 2443 C CD1 . LEU A 1 145 ? -21.793 25.313 -17.754 1.0 15.57 ? 135 A 1 +ATOM 2444 C CD2 . LEU A 1 145 ? -22.251 23.12 -16.737 1.0 15.0 ? 135 A 1 +ATOM 2445 H H . LEU A 1 145 ? -18.323 23.477 -15.962 1.0 16.04 ? 135 A 1 +ATOM 2446 H HA . LEU A 1 145 ? -20.024 21.64 -17.058 1.0 14.96 ? 135 A 1 +ATOM 2447 H HB2 . LEU A 1 145 ? -19.389 24.222 -17.977 1.0 16.68 ? 135 A 1 +ATOM 2448 H HB3 . LEU A 1 145 ? -20.428 23.246 -18.68 1.0 16.68 ? 135 A 1 +ATOM 2449 H HG . LEU A 1 145 ? -20.847 24.48 -16.166 1.0 16.58 ? 135 A 1 +ATOM 2450 H HD11 . LEU A 1 145 ? -22.506 25.697 -17.22 1.0 18.69 ? 135 A 1 +ATOM 2451 H HD12 . LEU A 1 145 ? -21.104 25.976 -17.913 1.0 18.69 ? 135 A 1 +ATOM 2452 H HD13 . LEU A 1 145 ? -22.148 24.996 -18.6 1.0 18.69 ? 135 A 1 +ATOM 2453 H HD21 . LEU A 1 145 ? -23.026 23.555 -16.35 1.0 18.0 ? 135 A 1 +ATOM 2454 H HD22 . LEU A 1 145 ? -22.495 22.689 -17.571 1.0 18.0 ? 135 A 1 +ATOM 2455 H HD23 . LEU A 1 145 ? -21.896 22.463 -16.118 1.0 18.0 ? 135 A 1 +ATOM 2456 N N . SER A 1 146 ? -18.672 20.805 -18.931 1.0 12.28 ? 136 A 1 +ATOM 2457 C CA . SER A 1 146 ? -17.774 20.235 -19.944 1.0 12.79 ? 136 A 1 +ATOM 2458 C C . SER A 1 146 ? -18.641 19.836 -21.141 1.0 12.24 ? 136 A 1 +ATOM 2459 O O . SER A 1 146 ? -18.982 18.688 -21.331 1.0 12.39 ? 136 A 1 +ATOM 2460 C CB . SER A 1 146 ? -17.047 19.061 -19.299 1.0 12.59 ? 136 A 1 +ATOM 2461 O OG . SER A 1 146 ? -16.072 18.477 -20.167 1.0 13.06 ? 136 A 1 +ATOM 2462 H H . SER A 1 146 ? -19.452 20.443 -18.914 1.0 14.73 ? 136 A 1 +ATOM 2463 H HA . SER A 1 146 ? -17.13 20.873 -20.289 1.0 15.34 ? 136 A 1 +ATOM 2464 H HB2 . SER A 1 146 ? -16.599 19.377 -18.499 1.0 15.11 ? 136 A 1 +ATOM 2465 H HB3 . SER A 1 146 ? -17.7 18.382 -19.068 1.0 15.11 ? 136 A 1 +ATOM 2466 H HG . SER A 1 146 ? -15.478 19.041 -20.351 1.0 15.67 ? 136 A 1 +ATOM 2467 N N . LEU A 1 147 ? -19.044 20.849 -21.906 1.0 12.26 ? 137 A 1 +ATOM 2468 C CA . LEU A 1 147 ? -20.071 20.708 -22.934 1.0 12.74 ? 137 A 1 +ATOM 2469 C C . LEU A 1 147 ? -19.539 20.945 -24.34 1.0 13.2 ? 137 A 1 +ATOM 2470 O O . LEU A 1 147 ? -20.326 20.889 -25.271 1.0 14.1 ? 137 A 1 +ATOM 2471 C CB . LEU A 1 147 ? -21.248 21.666 -22.664 1.0 13.04 ? 137 A 1 +ATOM 2472 C CG . LEU A 1 147 ? -21.771 21.701 -21.208 1.0 12.19 ? 137 A 1 +ATOM 2473 C CD1 . LEU A 1 147 ? -22.877 22.696 -21.096 1.0 14.3 ? 137 A 1 +ATOM 2474 C CD2 . LEU A 1 147 ? -22.177 20.309 -20.731 1.0 15.39 ? 137 A 1 +ATOM 2475 H H . LEU A 1 147 ? -18.731 21.648 -21.846 1.0 14.71 ? 137 A 1 +ATOM 2476 H HA . LEU A 1 147 ? -20.418 19.803 -22.895 1.0 15.28 ? 137 A 1 +ATOM 2477 H HB2 . LEU A 1 147 ? -20.963 22.566 -22.889 1.0 15.65 ? 137 A 1 +ATOM 2478 H HB3 . LEU A 1 147 ? -21.99 21.402 -23.23 1.0 15.65 ? 137 A 1 +ATOM 2479 H HG . LEU A 1 147 ? -21.064 21.986 -20.609 1.0 14.63 ? 137 A 1 +ATOM 2480 H HD11 . LEU A 1 147 ? -23.217 22.689 -20.188 1.0 17.16 ? 137 A 1 +ATOM 2481 H HD12 . LEU A 1 147 ? -22.533 23.576 -21.314 1.0 17.16 ? 137 A 1 +ATOM 2482 H HD13 . LEU A 1 147 ? -23.583 22.454 -21.716 1.0 17.16 ? 137 A 1 +ATOM 2483 H HD21 . LEU A 1 147 ? -22.568 20.379 -19.847 1.0 18.46 ? 137 A 1 +ATOM 2484 H HD22 . LEU A 1 147 ? -22.825 19.939 -21.351 1.0 18.46 ? 137 A 1 +ATOM 2485 H HD23 . LEU A 1 147 ? -21.389 19.744 -20.7 1.0 18.46 ? 137 A 1 +ATOM 2486 N N . GLY A 1 148 ? -18.263 21.22 -24.49 1.0 13.1 ? 138 A 1 +ATOM 2487 C CA . GLY A 1 148 ? -17.7 21.478 -25.82 1.0 13.04 ? 138 A 1 +ATOM 2488 C C . GLY A 1 148 ? -17.673 22.943 -26.17 1.0 13.25 ? 138 A 1 +ATOM 2489 O O . GLY A 1 148 ? -17.632 23.838 -25.307 1.0 13.85 ? 138 A 1 +ATOM 2490 H H . GLY A 1 148 ? -17.694 21.267 -23.846 1.0 15.72 ? 138 A 1 +ATOM 2491 H HA2 . GLY A 1 148 ? -16.79 21.141 -25.852 1.0 15.65 ? 138 A 1 +ATOM 2492 H HA3 . GLY A 1 148 ? -18.231 21.015 -26.486 1.0 15.65 ? 138 A 1 +ATOM 2493 N N . GLU A 1 149 ? -17.631 23.17 -27.487 1.0 13.38 ? 139 A 1 +ATOM 2494 C CA . GLU A 1 149 ? -17.408 24.481 -28.099 1.0 13.65 ? 139 A 1 +ATOM 2495 C C . GLU A 1 149 ? -18.739 25.13 -28.435 1.0 15.2 ? 139 A 1 +ATOM 2496 O O . GLU A 1 149 ? -19.528 24.605 -29.22 1.0 16.11 ? 139 A 1 +ATOM 2497 C CB . GLU A 1 149 ? -16.609 24.311 -29.394 1.0 13.93 ? 139 A 1 +ATOM 2498 C CG . GLU A 1 149 ? -15.241 23.744 -29.161 1.0 15.54 ? 139 A 1 +ATOM 2499 C CD . GLU A 1 149 ? -14.51 23.319 -30.398 1.0 14.31 ? 139 A 1 +ATOM 2500 O OE1 . GLU A 1 149 ? -14.749 23.922 -31.467 1.0 16.27 ? 139 A 1 +ATOM 2501 O OE2 . GLU A 1 149 ? -13.648 22.444 -30.306 1.0 15.33 ? 139 A 1 +ATOM 2502 H H . GLU A 1 149 ? -17.733 22.55 -28.074 1.0 16.05 ? 139 A 1 +ATOM 2503 H HA . GLU A 1 149 ? -16.929 25.045 -27.471 1.0 16.38 ? 139 A 1 +ATOM 2504 H HB2 . GLU A 1 149 ? -17.088 23.708 -29.983 1.0 16.72 ? 139 A 1 +ATOM 2505 H HB3 . GLU A 1 149 ? -16.507 25.177 -29.818 1.0 16.72 ? 139 A 1 +ATOM 2506 H HG2 . GLU A 1 149 ? -14.7 24.419 -28.722 1.0 18.65 ? 139 A 1 +ATOM 2507 H HG3 . GLU A 1 149 ? -15.325 22.964 -28.591 1.0 18.65 ? 139 A 1 +ATOM 2508 N N . TRP A 1 150 ? -19.013 26.305 -27.813 1.0 16.31 ? 140 A 1 +ATOM 2509 C CA . TRP A 1 150 ? -20.259 27.047 -27.982 1.0 15.36 ? 140 A 1 +ATOM 2510 C C . TRP A 1 150 ? -19.942 28.525 -28.117 1.0 16.76 ? 140 A 1 +ATOM 2511 O O . TRP A 1 150 ? -18.855 28.961 -27.728 1.0 19.63 ? 140 A 1 +ATOM 2512 C CB . TRP A 1 150 ? -21.244 26.757 -26.801 1.0 16.48 ? 140 A 1 +ATOM 2513 C CG . TRP A 1 150 ? -21.649 25.302 -26.78 1.0 15.82 ? 140 A 1 +ATOM 2514 C CD1 . TRP A 1 150 ? -21.092 24.313 -26.014 1.0 14.09 ? 140 A 1 +ATOM 2515 C CD2 . TRP A 1 150 ? -22.613 24.66 -27.619 1.0 15.34 ? 140 A 1 +ATOM 2516 N NE1 . TRP A 1 150 ? -21.625 23.091 -26.352 1.0 15.09 ? 140 A 1 +ATOM 2517 C CE2 . TRP A 1 150 ? -22.563 23.277 -27.344 1.0 16.02 ? 140 A 1 +ATOM 2518 C CE3 . TRP A 1 150 ? -23.48 25.121 -28.63 1.0 17.63 ? 140 A 1 +ATOM 2519 C CZ2 . TRP A 1 150 ? -23.379 22.365 -27.983 1.0 17.53 ? 140 A 1 +ATOM 2520 C CZ3 . TRP A 1 150 ? -24.295 24.219 -29.238 1.0 19.93 ? 140 A 1 +ATOM 2521 C CH2 . TRP A 1 150 ? -24.224 22.844 -28.962 1.0 18.65 ? 140 A 1 +ATOM 2522 H H . TRP A 1 150 ? -18.467 26.693 -27.274 1.0 19.57 ? 140 A 1 +ATOM 2523 H HA . TRP A 1 150 ? -20.712 26.767 -28.793 1.0 18.43 ? 140 A 1 +ATOM 2524 H HB2 . TRP A 1 150 ? -20.809 26.967 -25.959 1.0 19.78 ? 140 A 1 +ATOM 2525 H HB3 . TRP A 1 150 ? -22.042 27.297 -26.906 1.0 19.78 ? 140 A 1 +ATOM 2526 H HD1 . TRP A 1 150 ? -20.445 24.447 -25.359 1.0 16.91 ? 140 A 1 +ATOM 2527 H HE1 . TRP A 1 150 ? -21.41 22.336 -26.002 1.0 18.1 ? 140 A 1 +ATOM 2528 H HE3 . TRP A 1 150 ? -23.494 26.018 -28.875 1.0 21.16 ? 140 A 1 +ATOM 2529 H HZ2 . TRP A 1 150 ? -23.36 21.462 -27.761 1.0 21.04 ? 140 A 1 +ATOM 2530 H HZ3 . TRP A 1 150 ? -24.92 24.522 -29.857 1.0 23.92 ? 140 A 1 +ATOM 2531 H HH2 . TRP A 1 150 ? -24.753 22.251 -29.445 1.0 22.38 ? 140 A 1 +ATOM 2532 N N . PRO A 1 151 ? -20.932 29.315 -28.539 1.0 18.3 ? 141 A 1 +ATOM 2533 C CA . PRO A 1 151 ? -20.713 30.748 -28.626 1.0 19.87 ? 141 A 1 +ATOM 2534 C C . PRO A 1 151 ? -20.437 31.384 -27.293 1.0 19.85 ? 141 A 1 +ATOM 2535 O O . PRO A 1 151 ? -20.884 30.932 -26.234 1.0 19.12 ? 141 A 1 +ATOM 2536 C CB . PRO A 1 151 ? -22.035 31.273 -29.203 1.0 22.63 ? 141 A 1 +ATOM 2537 C CG . PRO A 1 151 ? -22.593 30.093 -29.955 1.0 22.0 ? 141 A 1 +ATOM 2538 C CD . PRO A 1 151 ? -22.229 28.915 -29.105 1.0 18.04 ? 141 A 1 +ATOM 2539 H HA . PRO A 1 151 ? -19.972 30.927 -29.227 1.0 23.85 ? 141 A 1 +ATOM 2540 H HB2 . PRO A 1 151 ? -22.628 31.546 -28.486 1.0 27.15 ? 141 A 1 +ATOM 2541 H HB3 . PRO A 1 151 ? -21.867 32.021 -29.798 1.0 27.15 ? 141 A 1 +ATOM 2542 H HG2 . PRO A 1 151 ? -23.555 30.177 -30.043 1.0 26.4 ? 141 A 1 +ATOM 2543 H HG3 . PRO A 1 151 ? -22.184 30.031 -30.832 1.0 26.4 ? 141 A 1 +ATOM 2544 H HD2 . PRO A 1 151 ? -22.885 28.775 -28.405 1.0 21.65 ? 141 A 1 +ATOM 2545 H HD3 . PRO A 1 151 ? -22.141 28.112 -29.642 1.0 21.65 ? 141 A 1 +ATOM 2546 N N . ARG A 1 152 ? -19.733 32.509 -27.357 1.0 20.55 ? 142 A 1 +ATOM 2547 C CA A ARG A 1 152 ? -19.456 33.275 -26.146 0.54 24.03 ? 142 A 1 +ATOM 2548 C CA B ARG A 1 152 ? -19.457 33.271 -26.145 0.46 19.67 ? 142 A 1 +ATOM 2549 C C . ARG A 1 152 ? -20.733 33.568 -25.36 1.0 18.71 ? 142 A 1 +ATOM 2550 O O . ARG A 1 152 ? -20.745 33.537 -24.126 1.0 20.15 ? 142 A 1 +ATOM 2551 C CB A ARG A 1 152 ? -18.765 34.59 -26.515 0.54 35.57 ? 142 A 1 +ATOM 2552 C CB B ARG A 1 152 ? -18.763 34.59 -26.498 0.46 18.66 ? 142 A 1 +ATOM 2553 C CG A ARG A 1 152 ? -18.522 35.519 -25.344 0.54 28.36 ? 142 A 1 +ATOM 2554 C CG B ARG A 1 152 ? -18.684 35.581 -25.332 0.46 27.14 ? 142 A 1 +ATOM 2555 C CD A ARG A 1 152 ? -17.933 36.847 -25.787 0.54 33.91 ? 142 A 1 +ATOM 2556 C CD B ARG A 1 152 ? -18.059 36.898 -25.752 0.46 35.05 ? 142 A 1 +ATOM 2557 N NE A ARG A 1 152 ? -17.591 37.643 -24.61 0.54 54.69 ? 142 A 1 +ATOM 2558 N NE B ARG A 1 152 ? -16.989 37.29 -24.836 0.46 40.24 ? 142 A 1 +ATOM 2559 C CZ A ARG A 1 152 ? -16.359 37.808 -24.134 0.54 46.38 ? 142 A 1 +ATOM 2560 C CZ B ARG A 1 152 ? -17.153 37.986 -23.714 0.46 55.66 ? 142 A 1 +ATOM 2561 N NH1 A ARG A 1 152 ? -16.177 38.542 -23.046 0.54 88.15 ? 142 A 1 +ATOM 2562 N NH1 B ARG A 1 152 ? -16.094 38.276 -22.975 0.46 82.11 ? 142 A 1 +ATOM 2563 N NH2 A ARG A 1 152 ? -15.314 37.265 -24.748 0.54 34.07 ? 142 A 1 +ATOM 2564 N NH2 B ARG A 1 152 ? -18.357 38.396 -23.324 0.46 41.89 ? 142 A 1 +ATOM 2565 H H A ARG A 1 152 ? -19.409 32.848 -28.078 0.54 24.66 ? 142 A 1 +ATOM 2566 H H B ARG A 1 152 ? -19.41 32.849 -28.078 0.46 24.66 ? 142 A 1 +ATOM 2567 H HA A ARG A 1 152 ? -18.864 32.754 -25.581 0.54 28.83 ? 142 A 1 +ATOM 2568 H HA B ARG A 1 152 ? -18.865 32.742 -25.587 0.46 23.6 ? 142 A 1 +ATOM 2569 H HB2 A ARG A 1 152 ? -17.904 34.387 -26.912 0.54 42.69 ? 142 A 1 +ATOM 2570 H HB2 B ARG A 1 152 ? -17.857 34.398 -26.784 0.46 22.39 ? 142 A 1 +ATOM 2571 H HB3 A ARG A 1 152 ? -19.321 35.063 -27.154 0.54 42.69 ? 142 A 1 +ATOM 2572 H HB3 B ARG A 1 152 ? -19.255 35.017 -27.217 0.46 22.39 ? 142 A 1 +ATOM 2573 H HG2 A ARG A 1 152 ? -19.364 35.695 -24.895 0.54 34.04 ? 142 A 1 +ATOM 2574 H HG2 B ARG A 1 152 ? -19.579 35.761 -25.004 0.46 32.57 ? 142 A 1 +ATOM 2575 H HG3 A ARG A 1 152 ? -17.899 35.101 -24.729 0.54 34.04 ? 142 A 1 +ATOM 2576 H HG3 B ARG A 1 152 ? -18.142 35.2 -24.624 0.46 32.57 ? 142 A 1 +ATOM 2577 H HD2 A ARG A 1 152 ? -17.129 36.693 -26.307 0.54 40.7 ? 142 A 1 +ATOM 2578 H HD2 B ARG A 1 152 ? -17.683 36.808 -26.642 0.46 42.06 ? 142 A 1 +ATOM 2579 H HD3 A ARG A 1 152 ? -18.583 37.334 -26.317 0.54 40.7 ? 142 A 1 +ATOM 2580 H HD3 B ARG A 1 152 ? -18.736 37.593 -25.748 0.46 42.06 ? 142 A 1 +ATOM 2581 H HE A ARG A 1 152 ? -18.234 38.034 -24.193 0.54 65.63 ? 142 A 1 +ATOM 2582 H HE B ARG A 1 152 ? -16.189 37.05 -25.039 0.46 48.29 ? 142 A 1 +ATOM 2583 H HH11 A ARG A 1 152 ? -16.851 38.905 -22.655 0.54 105.78 ? 142 A 1 +ATOM 2584 H HH11 B ARG A 1 152 ? -15.312 38.014 -23.222 0.46 98.53 ? 142 A 1 +ATOM 2585 H HH12 A ARG A 1 152 ? -15.385 38.654 -22.731 0.54 105.78 ? 142 A 1 +ATOM 2586 H HH12 B ARG A 1 152 ? -16.186 38.725 -22.248 0.46 98.53 ? 142 A 1 +ATOM 2587 H HH21 A ARG A 1 152 ? -15.429 36.8 -25.462 0.54 40.88 ? 142 A 1 +ATOM 2588 H HH21 B ARG A 1 152 ? -19.049 38.212 -23.799 0.46 50.27 ? 142 A 1 +ATOM 2589 H HH22 A ARG A 1 152 ? -14.523 37.379 -24.431 0.54 40.88 ? 142 A 1 +ATOM 2590 H HH22 B ARG A 1 152 ? -18.443 38.845 -22.595 0.46 50.27 ? 142 A 1 +ATOM 2591 N N . GLU A 1 153 ? -21.824 33.888 -26.053 1.0 19.83 ? 143 A 1 +ATOM 2592 C CA . GLU A 1 153 ? -23.067 34.181 -25.364 1.0 20.98 ? 143 A 1 +ATOM 2593 C C . GLU A 1 153 ? -23.522 33.048 -24.467 1.0 18.41 ? 143 A 1 +ATOM 2594 O O . GLU A 1 153 ? -24.141 33.308 -23.416 1.0 20.53 ? 143 A 1 +ATOM 2595 C CB . GLU A 1 153 ? -24.164 34.529 -26.391 1.0 25.9 ? 143 A 1 +ATOM 2596 C CG . GLU A 1 153 ? -25.612 34.427 -25.925 1.0 74.38 ? 143 A 1 +ATOM 2597 C CD . GLU A 1 153 ? -26.642 34.793 -27.01 1.0 98.04 ? 143 A 1 +ATOM 2598 O OE1 . GLU A 1 153 ? -26.723 34.095 -28.048 1.0 55.09 ? 143 A 1 +ATOM 2599 O OE2 . GLU A 1 153 ? -27.382 35.782 -26.812 1.0 86.62 ? 143 A 1 +ATOM 2600 H H . GLU A 1 153 ? -21.866 33.94 -26.91 1.0 23.79 ? 143 A 1 +ATOM 2601 H HA . GLU A 1 153 ? -22.916 34.951 -24.793 1.0 25.18 ? 143 A 1 +ATOM 2602 H HB2 . GLU A 1 153 ? -24.025 35.445 -26.679 1.0 31.08 ? 143 A 1 +ATOM 2603 H HB3 . GLU A 1 153 ? -24.069 33.926 -27.146 1.0 31.08 ? 143 A 1 +ATOM 2604 H HG2 . GLU A 1 153 ? -25.787 33.514 -25.647 1.0 89.26 ? 143 A 1 +ATOM 2605 H HG3 . GLU A 1 153 ? -25.743 35.032 -25.178 1.0 89.26 ? 143 A 1 +ATOM 2606 N N . TYR A 1 154 ? -23.333 31.807 -24.921 1.0 18.19 ? 144 A 1 +ATOM 2607 C CA . TYR A 1 154 ? -23.728 30.663 -24.099 1.0 17.84 ? 144 A 1 +ATOM 2608 C C . TYR A 1 154 ? -22.85 30.59 -22.869 1.0 17.2 ? 144 A 1 +ATOM 2609 O O . TYR A 1 154 ? -23.36 30.434 -21.765 1.0 17.6 ? 144 A 1 +ATOM 2610 C CB . TYR A 1 154 ? -23.636 29.348 -24.903 1.0 17.7 ? 144 A 1 +ATOM 2611 C CG . TYR A 1 154 ? -24.696 29.168 -26.02 1.0 18.06 ? 144 A 1 +ATOM 2612 C CD1 . TYR A 1 154 ? -25.426 30.225 -26.51 1.0 20.74 ? 144 A 1 +ATOM 2613 C CD2 . TYR A 1 154 ? -24.843 27.932 -26.592 1.0 18.91 ? 144 A 1 +ATOM 2614 C CE1 . TYR A 1 154 ? -26.334 30.021 -27.552 1.0 22.51 ? 144 A 1 +ATOM 2615 C CE2 . TYR A 1 154 ? -25.736 27.708 -27.618 1.0 20.33 ? 144 A 1 +ATOM 2616 C CZ . TYR A 1 154 ? -26.451 28.745 -28.069 1.0 22.15 ? 144 A 1 +ATOM 2617 O OH . TYR A 1 154 ? -27.369 28.583 -29.111 1.0 25.92 ? 144 A 1 +ATOM 2618 H H . TYR A 1 154 ? -22.988 31.605 -25.682 1.0 21.83 ? 144 A 1 +ATOM 2619 H HA . TYR A 1 154 ? -24.654 30.771 -23.831 1.0 21.4 ? 144 A 1 +ATOM 2620 H HB2 . TYR A 1 154 ? -22.764 29.31 -25.326 1.0 21.23 ? 144 A 1 +ATOM 2621 H HB3 . TYR A 1 154 ? -23.739 28.606 -24.287 1.0 21.23 ? 144 A 1 +ATOM 2622 H HD1 . TYR A 1 154 ? -25.315 31.075 -26.148 1.0 24.89 ? 144 A 1 +ATOM 2623 H HD2 . TYR A 1 154 ? -24.326 27.225 -26.279 1.0 22.7 ? 144 A 1 +ATOM 2624 H HE1 . TYR A 1 154 ? -26.844 30.722 -27.887 1.0 27.01 ? 144 A 1 +ATOM 2625 H HE2 . TYR A 1 154 ? -25.839 26.86 -27.987 1.0 24.4 ? 144 A 1 +ATOM 2626 H HH . TYR A 1 154 ? -27.352 27.79 -29.388 1.0 31.1 ? 144 A 1 +ATOM 2627 N N . TYR A 1 155 ? -21.541 30.688 -23.044 1.0 16.5 ? 145 A 1 +ATOM 2628 C CA . TYR A 1 155 ? -20.648 30.648 -21.89 1.0 16.82 ? 145 A 1 +ATOM 2629 C C . TYR A 1 155 ? -20.982 31.763 -20.91 1.0 18.28 ? 145 A 1 +ATOM 2630 O O . TYR A 1 155 ? -20.912 31.557 -19.69 1.0 17.87 ? 145 A 1 +ATOM 2631 C CB . TYR A 1 155 ? -19.204 30.759 -22.364 1.0 17.41 ? 145 A 1 +ATOM 2632 C CG . TYR A 1 155 ? -18.668 29.616 -23.204 1.0 15.84 ? 145 A 1 +ATOM 2633 C CD1 . TYR A 1 155 ? -19.118 28.321 -23.072 1.0 16.39 ? 145 A 1 +ATOM 2634 C CD2 . TYR A 1 155 ? -17.616 29.844 -24.098 1.0 16.88 ? 145 A 1 +ATOM 2635 C CE1 . TYR A 1 155 ? -18.596 27.288 -23.819 1.0 15.35 ? 145 A 1 +ATOM 2636 C CE2 . TYR A 1 155 ? -17.089 28.836 -24.813 1.0 18.93 ? 145 A 1 +ATOM 2637 C CZ . TYR A 1 155 ? -17.549 27.56 -24.693 1.0 15.99 ? 145 A 1 +ATOM 2638 O OH . TYR A 1 155 ? -16.933 26.56 -25.431 1.0 16.36 ? 145 A 1 +ATOM 2639 H H . TYR A 1 155 ? -21.148 30.777 -23.804 1.0 19.8 ? 145 A 1 +ATOM 2640 H HA . TYR A 1 155 ? -20.751 29.801 -21.427 1.0 20.18 ? 145 A 1 +ATOM 2641 H HB2 . TYR A 1 155 ? -19.126 31.564 -22.899 1.0 20.89 ? 145 A 1 +ATOM 2642 H HB3 . TYR A 1 155 ? -18.636 30.825 -21.58 1.0 20.89 ? 145 A 1 +ATOM 2643 H HD1 . TYR A 1 155 ? -19.795 28.138 -22.46 1.0 19.67 ? 145 A 1 +ATOM 2644 H HD2 . TYR A 1 155 ? -17.277 30.704 -24.198 1.0 20.25 ? 145 A 1 +ATOM 2645 H HE1 . TYR A 1 155 ? -18.937 26.426 -23.74 1.0 18.42 ? 145 A 1 +ATOM 2646 H HE2 . TYR A 1 155 ? -16.394 29.014 -25.405 1.0 22.71 ? 145 A 1 +ATOM 2647 H HH . TYR A 1 155 ? -17.285 25.817 -25.258 1.0 19.64 ? 145 A 1 +ATOM 2648 N N . GLU A 1 156 ? -21.352 32.94 -21.413 1.0 17.63 ? 146 A 1 +ATOM 2649 C CA A GLU A 1 156 ? -21.739 34.067 -20.566 0.41 20.64 ? 146 A 1 +ATOM 2650 C CA B GLU A 1 156 ? -21.714 34.048 -20.535 0.59 19.4 ? 146 A 1 +ATOM 2651 C C . GLU A 1 156 ? -22.99 33.74 -19.765 1.0 18.42 ? 146 A 1 +ATOM 2652 O O . GLU A 1 156 ? -23.055 33.97 -18.544 1.0 19.55 ? 146 A 1 +ATOM 2653 C CB A GLU A 1 156 ? -22.021 35.292 -21.451 0.41 28.7 ? 146 A 1 +ATOM 2654 C CB B GLU A 1 156 ? -21.871 35.31 -21.389 0.59 20.2 ? 146 A 1 +ATOM 2655 C CG A GLU A 1 156 ? -20.799 36.081 -21.895 0.41 42.03 ? 146 A 1 +ATOM 2656 C CG B GLU A 1 156 ? -22.072 36.603 -20.611 0.59 45.33 ? 146 A 1 +ATOM 2657 C CD A GLU A 1 156 ? -21.13 37.291 -22.779 0.41 52.58 ? 146 A 1 +ATOM 2658 C CD B GLU A 1 156 ? -21.837 37.86 -21.444 0.59 33.02 ? 146 A 1 +ATOM 2659 O OE1 A GLU A 1 156 ? -22.151 37.28 -23.523 0.41 28.21 ? 146 A 1 +ATOM 2660 O OE1 B GLU A 1 156 ? -22.096 37.838 -22.663 0.59 51.38 ? 146 A 1 +ATOM 2661 O OE2 A GLU A 1 156 ? -20.344 38.258 -22.719 0.41 51.09 ? 146 A 1 +ATOM 2662 O OE2 B GLU A 1 156 ? -21.411 38.873 -20.851 0.59 44.83 ? 146 A 1 +ATOM 2663 H H A GLU A 1 156 ? -21.388 33.117 -22.254 0.41 21.16 ? 146 A 1 +ATOM 2664 H H B GLU A 1 156 ? -21.401 33.122 -22.252 0.59 21.16 ? 146 A 1 +ATOM 2665 H HA A GLU A 1 156 ? -21.012 34.264 -19.954 0.41 24.77 ? 146 A 1 +ATOM 2666 H HA B GLU A 1 156 ? -21.015 34.202 -19.881 0.59 23.28 ? 146 A 1 +ATOM 2667 H HB2 A GLU A 1 156 ? -22.474 34.989 -22.254 0.41 34.44 ? 146 A 1 +ATOM 2668 H HB2 B GLU A 1 156 ? -21.07 35.417 -21.926 0.59 24.25 ? 146 A 1 +ATOM 2669 H HB3 A GLU A 1 156 ? -22.592 35.9 -20.957 0.41 34.44 ? 146 A 1 +ATOM 2670 H HB3 B GLU A 1 156 ? -22.643 35.195 -21.964 0.59 24.25 ? 146 A 1 +ATOM 2671 H HG2 A GLU A 1 156 ? -20.336 36.408 -21.107 0.41 50.44 ? 146 A 1 +ATOM 2672 H HG2 B GLU A 1 156 ? -22.984 36.632 -20.281 0.59 54.4 ? 146 A 1 +ATOM 2673 H HG3 A GLU A 1 156 ? -20.216 35.495 -22.402 0.41 50.44 ? 146 A 1 +ATOM 2674 H HG3 B GLU A 1 156 ? -21.449 36.621 -19.867 0.59 54.4 ? 146 A 1 +ATOM 2675 N N . LYS A 1 157 ? -24.016 33.203 -20.43 1.0 19.21 ? 147 A 1 +ATOM 2676 C CA . LYS A 1 157 ? -25.249 32.836 -19.746 1.0 19.18 ? 147 A 1 +ATOM 2677 C C . LYS A 1 157 ? -24.989 31.792 -18.656 1.0 18.43 ? 147 A 1 +ATOM 2678 O O . LYS A 1 157 ? -25.565 31.857 -17.549 1.0 19.11 ? 147 A 1 +ATOM 2679 C CB . LYS A 1 157 ? -26.265 32.295 -20.757 1.0 18.36 ? 147 A 1 +ATOM 2680 C CG . LYS A 1 157 ? -26.979 33.384 -21.538 1.0 21.85 ? 147 A 1 +ATOM 2681 C CD . LYS A 1 157 ? -27.726 32.852 -22.742 1.0 24.12 ? 147 A 1 +ATOM 2682 C CE . LYS A 1 157 ? -28.501 34.013 -23.459 1.0 38.79 ? 147 A 1 +ATOM 2683 N NZ . LYS A 1 157 ? -29.134 33.541 -24.723 1.0 93.87 ? 147 A 1 +ATOM 2684 H H . LYS A 1 157 ? -24.021 33.042 -21.274 1.0 23.05 ? 147 A 1 +ATOM 2685 H HA . LYS A 1 157 ? -25.621 33.628 -19.328 1.0 23.01 ? 147 A 1 +ATOM 2686 H HB2 . LYS A 1 157 ? -25.802 31.728 -21.393 1.0 22.03 ? 147 A 1 +ATOM 2687 H HB3 . LYS A 1 157 ? -26.936 31.781 -20.282 1.0 22.03 ? 147 A 1 +ATOM 2688 H HG2 . LYS A 1 157 ? -27.621 33.82 -20.957 1.0 26.22 ? 147 A 1 +ATOM 2689 H HG3 . LYS A 1 157 ? -26.325 34.028 -21.853 1.0 26.22 ? 147 A 1 +ATOM 2690 H HD2 . LYS A 1 157 ? -27.096 32.466 -23.371 1.0 28.95 ? 147 A 1 +ATOM 2691 H HD3 . LYS A 1 157 ? -28.366 32.181 -22.459 1.0 28.95 ? 147 A 1 +ATOM 2692 H HE2 . LYS A 1 157 ? -29.199 34.344 -22.872 1.0 46.55 ? 147 A 1 +ATOM 2693 H HE3 . LYS A 1 157 ? -27.883 34.728 -23.675 1.0 46.55 ? 147 A 1 +ATOM 2694 H HZ1 . LYS A 1 157 ? -29.559 34.214 -25.121 1.0 112.64 ? 147 A 1 +ATOM 2695 H HZ2 . LYS A 1 157 ? -28.512 33.225 -25.275 1.0 112.64 ? 147 A 1 +ATOM 2696 H HZ3 . LYS A 1 157 ? -29.719 32.894 -24.547 1.0 112.64 ? 147 A 1 +ATOM 2697 N N . TRP A 1 158 ? -24.106 30.829 -18.918 1.0 16.35 ? 148 A 1 +ATOM 2698 C CA . TRP A 1 158 ? -23.86 29.78 -17.935 1.0 16.27 ? 148 A 1 +ATOM 2699 C C . TRP A 1 158 ? -23.059 30.315 -16.764 1.0 17.1 ? 148 A 1 +ATOM 2700 O O . TRP A 1 158 ? -23.251 29.846 -15.64 1.0 17.52 ? 148 A 1 +ATOM 2701 C CB . TRP A 1 158 ? -23.138 28.607 -18.607 1.0 16.34 ? 148 A 1 +ATOM 2702 C CG . TRP A 1 158 ? -23.954 27.967 -19.697 1.0 16.21 ? 148 A 1 +ATOM 2703 C CD1 . TRP A 1 158 ? -25.321 28.033 -19.821 1.0 16.52 ? 148 A 1 +ATOM 2704 C CD2 . TRP A 1 158 ? -23.462 27.278 -20.828 1.0 15.66 ? 148 A 1 +ATOM 2705 N NE1 . TRP A 1 158 ? -25.726 27.398 -20.971 1.0 16.87 ? 148 A 1 +ATOM 2706 C CE2 . TRP A 1 158 ? -24.606 26.871 -21.585 1.0 16.11 ? 148 A 1 +ATOM 2707 C CE3 . TRP A 1 158 ? -22.186 26.865 -21.237 1.0 15.1 ? 148 A 1 +ATOM 2708 C CZ2 . TRP A 1 158 ? -24.479 26.168 -22.774 1.0 16.38 ? 148 A 1 +ATOM 2709 C CZ3 . TRP A 1 158 ? -22.082 26.174 -22.453 1.0 15.17 ? 148 A 1 +ATOM 2710 C CH2 . TRP A 1 158 ? -23.228 25.801 -23.185 1.0 15.86 ? 148 A 1 +ATOM 2711 H H . TRP A 1 158 ? -23.647 30.763 -19.642 1.0 19.62 ? 148 A 1 +ATOM 2712 H HA . TRP A 1 158 ? -24.702 29.445 -17.591 1.0 19.53 ? 148 A 1 +ATOM 2713 H HB2 . TRP A 1 158 ? -22.311 28.929 -19.0 1.0 19.61 ? 148 A 1 +ATOM 2714 H HB3 . TRP A 1 158 ? -22.946 27.93 -17.939 1.0 19.61 ? 148 A 1 +ATOM 2715 H HD1 . TRP A 1 158 ? -25.89 28.448 -19.214 1.0 19.83 ? 148 A 1 +ATOM 2716 H HE1 . TRP A 1 158 ? -26.534 27.338 -21.258 1.0 20.25 ? 148 A 1 +ATOM 2717 H HE3 . TRP A 1 158 ? -21.435 27.043 -20.719 1.0 18.13 ? 148 A 1 +ATOM 2718 H HZ2 . TRP A 1 158 ? -25.229 25.951 -23.28 1.0 19.66 ? 148 A 1 +ATOM 2719 H HZ3 . TRP A 1 158 ? -21.24 25.957 -22.783 1.0 18.21 ? 148 A 1 +ATOM 2720 H HH2 . TRP A 1 158 ? -23.131 25.297 -23.961 1.0 19.03 ? 148 A 1 +ATOM 2721 N N . LYS A 1 159 ? -22.195 31.299 -16.985 1.0 16.3 ? 149 A 1 +ATOM 2722 C CA . LYS A 1 159 ? -21.485 31.952 -15.899 1.0 16.91 ? 149 A 1 +ATOM 2723 C C . LYS A 1 159 ? -22.465 32.732 -15.015 1.0 18.67 ? 149 A 1 +ATOM 2724 O O . LYS A 1 159 ? -22.436 32.596 -13.783 1.0 18.85 ? 149 A 1 +ATOM 2725 C CB . LYS A 1 159 ? -20.389 32.865 -16.442 1.0 18.2 ? 149 A 1 +ATOM 2726 C CG . LYS A 1 159 ? -19.453 33.394 -15.346 1.0 19.07 ? 149 A 1 +ATOM 2727 C CD . LYS A 1 159 ? -18.543 32.31 -14.833 1.0 20.13 ? 149 A 1 +ATOM 2728 C CE . LYS A 1 159 ? -17.531 32.868 -13.79 1.0 23.07 ? 149 A 1 +ATOM 2729 N NZ . LYS A 1 159 ? -18.147 33.507 -12.612 1.0 29.88 ? 149 A 1 +ATOM 2730 H H . LYS A 1 159 ? -22.0 31.609 -17.763 1.0 19.56 ? 149 A 1 +ATOM 2731 H HA . LYS A 1 159 ? -21.046 31.28 -15.356 1.0 20.29 ? 149 A 1 +ATOM 2732 H HB2 . LYS A 1 159 ? -19.852 32.368 -17.08 1.0 21.84 ? 149 A 1 +ATOM 2733 H HB3 . LYS A 1 159 ? -20.801 33.627 -16.877 1.0 21.84 ? 149 A 1 +ATOM 2734 H HG2 . LYS A 1 159 ? -18.904 34.107 -15.708 1.0 22.89 ? 149 A 1 +ATOM 2735 H HG3 . LYS A 1 159 ? -19.981 33.725 -14.603 1.0 22.89 ? 149 A 1 +ATOM 2736 H HD2 . LYS A 1 159 ? -19.074 31.62 -14.405 1.0 24.16 ? 149 A 1 +ATOM 2737 H HD3 . LYS A 1 159 ? -18.043 31.932 -15.573 1.0 24.16 ? 149 A 1 +ATOM 2738 H HE2 . LYS A 1 159 ? -16.981 32.135 -13.47 1.0 27.69 ? 149 A 1 +ATOM 2739 H HE3 . LYS A 1 159 ? -16.975 33.534 -14.225 1.0 27.69 ? 149 A 1 +ATOM 2740 H HZ1 . LYS A 1 159 ? -17.514 33.794 -12.056 1.0 35.86 ? 149 A 1 +ATOM 2741 H HZ2 . LYS A 1 159 ? -18.644 34.2 -12.866 1.0 35.86 ? 149 A 1 +ATOM 2742 H HZ3 . LYS A 1 159 ? -18.664 32.922 -12.184 1.0 35.86 ? 149 A 1 +ATOM 2743 N N . GLU A 1 160 ? -23.382 33.478 -15.617 1.0 19.44 ? 150 A 1 +ATOM 2744 C CA . GLU A 1 160 ? -24.371 34.2 -14.849 1.0 19.87 ? 150 A 1 +ATOM 2745 C C . GLU A 1 160 ? -25.287 33.248 -14.122 1.0 20.67 ? 150 A 1 +ATOM 2746 O O . GLU A 1 160 ? -25.742 33.56 -13.021 1.0 22.53 ? 150 A 1 +ATOM 2747 C CB . GLU A 1 160 ? -25.19 35.06 -15.793 1.0 25.21 ? 150 A 1 +ATOM 2748 C CG . GLU A 1 160 ? -24.41 36.123 -16.52 1.0 66.89 ? 150 A 1 +ATOM 2749 C CD . GLU A 1 160 ? -24.952 37.515 -16.275 0.0 23.15 ? 150 A 1 +ATOM 2750 O OE1 . GLU A 1 160 ? -25.232 37.851 -15.103 0.85 81.32 ? 150 A 1 +ATOM 2751 O OE2 . GLU A 1 160 ? -25.098 38.267 -17.261 0.51 60.67 ? 150 A 1 +ATOM 2752 H H . GLU A 1 160 ? -23.449 33.58 -16.468 1.0 23.33 ? 150 A 1 +ATOM 2753 H HA . GLU A 1 160 ? -23.93 34.767 -14.197 1.0 23.84 ? 150 A 1 +ATOM 2754 H HB2 . GLU A 1 160 ? -25.593 34.485 -16.462 1.0 30.26 ? 150 A 1 +ATOM 2755 H HB3 . GLU A 1 160 ? -25.882 35.507 -15.279 1.0 30.26 ? 150 A 1 +ATOM 2756 H HG2 . GLU A 1 160 ? -23.489 36.102 -16.218 1.0 80.27 ? 150 A 1 +ATOM 2757 H HG3 . GLU A 1 160 ? -24.451 35.948 -17.473 1.0 80.27 ? 150 A 1 +ATOM 2758 N N . ALA A 1 161 ? -25.53 32.057 -14.674 1.0 20.33 ? 151 A 1 +ATOM 2759 C CA . ALA A 1 161 ? -26.33 31.036 -13.984 1.0 18.6 ? 151 A 1 +ATOM 2760 C C . ALA A 1 161 ? -25.615 30.484 -12.774 1.0 20.53 ? 151 A 1 +ATOM 2761 O O . ALA A 1 161 ? -26.228 29.767 -11.964 1.0 20.3 ? 151 A 1 +ATOM 2762 C CB . ALA A 1 161 ? -26.664 29.878 -14.935 1.0 20.2 ? 151 A 1 +ATOM 2763 H H . ALA A 1 161 ? -25.245 31.812 -15.448 1.0 24.39 ? 151 A 1 +ATOM 2764 H HA . ALA A 1 161 ? -27.163 31.445 -13.701 1.0 22.32 ? 151 A 1 +ATOM 2765 H HB1 . ALA A 1 161 ? -27.187 29.217 -14.455 1.0 24.24 ? 151 A 1 +ATOM 2766 H HB2 . ALA A 1 161 ? -27.174 30.222 -15.685 1.0 24.24 ? 151 A 1 +ATOM 2767 H HB3 . ALA A 1 161 ? -25.838 29.481 -15.252 1.0 24.24 ? 151 A 1 +ATOM 2768 N N . GLY A 1 162 ? -24.303 30.682 -12.7 1.0 18.11 ? 152 A 1 +ATOM 2769 C CA . GLY A 1 162 ? -23.556 30.271 -11.514 1.0 18.74 ? 152 A 1 +ATOM 2770 C C . GLY A 1 162 ? -22.476 29.23 -11.756 1.0 18.37 ? 152 A 1 +ATOM 2771 O O . GLY A 1 162 ? -21.821 28.8 -10.794 1.0 18.52 ? 152 A 1 +ATOM 2772 H H . GLY A 1 162 ? -23.828 31.049 -13.316 1.0 21.73 ? 152 A 1 +ATOM 2773 H HA2 . GLY A 1 162 ? -23.13 31.053 -11.131 1.0 22.49 ? 152 A 1 +ATOM 2774 H HA3 . GLY A 1 162 ? -24.18 29.902 -10.869 1.0 22.49 ? 152 A 1 +ATOM 2775 N N . ALA A 1 163 ? -22.196 28.798 -12.978 1.0 16.5 ? 153 A 1 +ATOM 2776 C CA . ALA A 1 163 ? -21.151 27.834 -13.194 1.0 15.67 ? 153 A 1 +ATOM 2777 C C . ALA A 1 163 ? -19.81 28.401 -12.734 1.0 16.22 ? 153 A 1 +ATOM 2778 O O . ALA A 1 163 ? -19.501 29.563 -12.946 1.0 18.06 ? 153 A 1 +ATOM 2779 C CB . ALA A 1 163 ? -21.065 27.453 -14.691 1.0 17.49 ? 153 A 1 +ATOM 2780 H H . ALA A 1 163 ? -22.601 29.052 -13.693 1.0 19.8 ? 153 A 1 +ATOM 2781 H HA . ALA A 1 163 ? -21.348 27.031 -12.686 1.0 18.8 ? 153 A 1 +ATOM 2782 H HB1 . ALA A 1 163 ? -20.353 26.805 -14.812 1.0 20.99 ? 153 A 1 +ATOM 2783 H HB2 . ALA A 1 163 ? -21.912 27.07 -14.969 1.0 20.99 ? 153 A 1 +ATOM 2784 H HB3 . ALA A 1 163 ? -20.877 28.251 -15.21 1.0 20.99 ? 153 A 1 +ATOM 2785 N N . ASP A 1 164 ? -19.012 27.543 -12.111 1.0 14.26 ? 154 A 1 +ATOM 2786 C CA . ASP A 1 164 ? -17.727 27.929 -11.563 1.0 15.25 ? 154 A 1 +ATOM 2787 C C . ASP A 1 164 ? -16.536 27.631 -12.466 1.0 15.19 ? 154 A 1 +ATOM 2788 O O . ASP A 1 164 ? -15.568 28.394 -12.495 1.0 16.34 ? 154 A 1 +ATOM 2789 C CB . ASP A 1 164 ? -17.485 27.217 -10.205 1.0 15.06 ? 154 A 1 +ATOM 2790 C CG . ASP A 1 164 ? -18.524 27.546 -9.18 1.0 16.18 ? 154 A 1 +ATOM 2791 O OD1 . ASP A 1 164 ? -18.406 28.658 -8.613 1.0 19.4 ? 154 A 1 +ATOM 2792 O OD2 . ASP A 1 164 ? -19.463 26.757 -9.039 1.0 15.6 ? 154 A 1 +ATOM 2793 H H . ASP A 1 164 ? -19.201 26.712 -11.993 1.0 17.11 ? 154 A 1 +ATOM 2794 H HA . ASP A 1 164 ? -17.757 28.889 -11.423 1.0 18.3 ? 154 A 1 +ATOM 2795 H HB2 . ASP A 1 164 ? -17.497 26.257 -10.345 1.0 18.07 ? 154 A 1 +ATOM 2796 H HB3 . ASP A 1 164 ? -16.623 27.49 -9.855 1.0 18.07 ? 154 A 1 +ATOM 2797 N N . ARG A 1 165 ? -16.572 26.499 -13.154 1.0 14.8 ? 155 A 1 +ATOM 2798 C CA . ARG A 1 165 ? -15.444 25.98 -13.905 1.0 13.33 ? 155 A 1 +ATOM 2799 C C . ARG A 1 165 ? -15.91 25.436 -15.237 1.0 13.77 ? 155 A 1 +ATOM 2800 O O . ARG A 1 165 ? -17.068 25.094 -15.407 1.0 13.47 ? 155 A 1 +ATOM 2801 C CB . ARG A 1 165 ? -14.681 24.904 -13.127 1.0 14.2 ? 155 A 1 +ATOM 2802 C CG . ARG A 1 165 ? -14.612 25.105 -11.618 1.0 14.41 ? 155 A 1 +ATOM 2803 C CD . ARG A 1 165 ? -13.564 24.192 -10.987 1.0 15.04 ? 155 A 1 +ATOM 2804 N NE . ARG A 1 165 ? -13.521 24.432 -9.54 1.0 16.4 ? 155 A 1 +ATOM 2805 C CZ . ARG A 1 165 ? -13.987 23.617 -8.612 1.0 15.77 ? 155 A 1 +ATOM 2806 N NH1 . ARG A 1 165 ? -14.338 22.376 -8.855 1.0 15.47 ? 155 A 1 +ATOM 2807 N NH2 . ARG A 1 165 ? -14.089 24.072 -7.386 1.0 16.42 ? 155 A 1 +ATOM 2808 H H . ARG A 1 165 ? -17.267 25.995 -13.202 1.0 17.75 ? 155 A 1 +ATOM 2809 H HA . ARG A 1 165 ? -14.834 26.712 -14.086 1.0 16.0 ? 155 A 1 +ATOM 2810 H HB2 . ARG A 1 165 ? -15.114 24.05 -13.284 1.0 17.04 ? 155 A 1 +ATOM 2811 H HB3 . ARG A 1 165 ? -13.769 24.879 -13.457 1.0 17.04 ? 155 A 1 +ATOM 2812 H HG2 . ARG A 1 165 ? -14.371 26.025 -11.426 1.0 17.29 ? 155 A 1 +ATOM 2813 H HG3 . ARG A 1 165 ? -15.475 24.899 -11.225 1.0 17.29 ? 155 A 1 +ATOM 2814 H HD2 . ARG A 1 165 ? -13.798 23.264 -11.144 1.0 18.05 ? 155 A 1 +ATOM 2815 H HD3 . ARG A 1 165 ? -12.691 24.382 -11.363 1.0 18.05 ? 155 A 1 +ATOM 2816 H HE . ARG A 1 165 ? -13.16 25.166 -9.274 1.0 19.68 ? 155 A 1 +ATOM 2817 H HH11 . ARG A 1 165 ? -14.269 22.058 -9.651 1.0 18.56 ? 155 A 1 +ATOM 2818 H HH12 . ARG A 1 165 ? -14.637 21.881 -8.219 1.0 18.56 ? 155 A 1 +ATOM 2819 H HH21 . ARG A 1 165 ? -13.855 24.88 -7.206 1.0 19.7 ? 155 A 1 +ATOM 2820 H HH22 . ARG A 1 165 ? -14.39 23.563 -6.761 1.0 19.7 ? 155 A 1 +ATOM 2821 N N . TYR A 1 166 ? -14.955 25.348 -16.178 1.0 13.41 ? 156 A 1 +ATOM 2822 C CA . TYR A 1 166 ? -15.267 24.763 -17.48 1.0 12.42 ? 156 A 1 +ATOM 2823 C C . TYR A 1 166 ? -14.078 23.924 -17.901 1.0 13.99 ? 156 A 1 +ATOM 2824 O O . TYR A 1 166 ? -12.963 24.433 -17.95 1.0 14.26 ? 156 A 1 +ATOM 2825 C CB . TYR A 1 166 ? -15.578 25.838 -18.501 1.0 12.86 ? 156 A 1 +ATOM 2826 C CG . TYR A 1 166 ? -16.41 25.339 -19.688 1.0 13.25 ? 156 A 1 +ATOM 2827 C CD1 . TYR A 1 166 ? -15.872 24.49 -20.65 1.0 12.84 ? 156 A 1 +ATOM 2828 C CD2 . TYR A 1 166 ? -17.739 25.655 -19.811 1.0 13.69 ? 156 A 1 +ATOM 2829 C CE1 . TYR A 1 166 ? -16.622 24.019 -21.719 1.0 13.24 ? 156 A 1 +ATOM 2830 C CE2 . TYR A 1 166 ? -18.513 25.173 -20.855 1.0 13.09 ? 156 A 1 +ATOM 2831 C CZ . TYR A 1 166 ? -17.937 24.373 -21.797 1.0 13.34 ? 156 A 1 +ATOM 2832 O OH . TYR A 1 166 ? -18.765 23.904 -22.806 1.0 14.09 ? 156 A 1 +ATOM 2833 H H . TYR A 1 166 ? -14.143 25.615 -16.082 1.0 16.09 ? 156 A 1 +ATOM 2834 H HA . TYR A 1 166 ? -16.046 24.187 -17.425 1.0 14.9 ? 156 A 1 +ATOM 2835 H HB2 . TYR A 1 166 ? -16.077 26.547 -18.066 1.0 15.44 ? 156 A 1 +ATOM 2836 H HB3 . TYR A 1 166 ? -14.743 26.187 -18.851 1.0 15.44 ? 156 A 1 +ATOM 2837 H HD1 . TYR A 1 166 ? -14.982 24.23 -20.575 1.0 15.41 ? 156 A 1 +ATOM 2838 H HD2 . TYR A 1 166 ? -18.132 26.208 -19.175 1.0 16.43 ? 156 A 1 +ATOM 2839 H HE1 . TYR A 1 166 ? -16.236 23.476 -22.368 1.0 15.89 ? 156 A 1 +ATOM 2840 H HE2 . TYR A 1 166 ? -19.415 25.394 -20.913 1.0 15.7 ? 156 A 1 +ATOM 2841 H HH . TYR A 1 166 ? -18.322 23.441 -23.349 1.0 16.91 ? 156 A 1 +ATOM 2842 N N . LEU A 1 167 ? -14.326 22.668 -18.224 1.0 11.99 ? 157 A 1 +ATOM 2843 C CA . LEU A 1 167 ? -13.301 21.737 -18.683 1.0 12.83 ? 157 A 1 +ATOM 2844 C C . LEU A 1 167 ? -13.458 21.56 -20.191 1.0 13.34 ? 157 A 1 +ATOM 2845 O O . LEU A 1 167 ? -14.47 21.005 -20.642 1.0 13.63 ? 157 A 1 +ATOM 2846 C CB . LEU A 1 167 ? -13.426 20.4 -17.98 1.0 14.17 ? 157 A 1 +ATOM 2847 C CG . LEU A 1 167 ? -12.46 19.343 -18.478 1.0 14.28 ? 157 A 1 +ATOM 2848 C CD1 . LEU A 1 167 ? -11.04 19.664 -18.163 1.0 16.61 ? 157 A 1 +ATOM 2849 C CD2 . LEU A 1 167 ? -12.86 18.061 -17.846 1.0 19.46 ? 157 A 1 +ATOM 2850 H H . LEU A 1 167 ? -15.108 22.314 -18.186 1.0 14.39 ? 157 A 1 +ATOM 2851 H HA . LEU A 1 167 ? -12.425 22.107 -18.493 1.0 15.4 ? 157 A 1 +ATOM 2852 H HB2 . LEU A 1 167 ? -13.258 20.531 -17.034 1.0 17.01 ? 157 A 1 +ATOM 2853 H HB3 . LEU A 1 167 ? -14.326 20.064 -18.114 1.0 17.01 ? 157 A 1 +ATOM 2854 H HG . LEU A 1 167 ? -12.5 19.288 -19.446 1.0 17.14 ? 157 A 1 +ATOM 2855 H HD11 . LEU A 1 167 ? -10.482 18.914 -18.423 1.0 19.94 ? 157 A 1 +ATOM 2856 H HD12 . LEU A 1 167 ? -10.779 20.458 -18.655 1.0 19.94 ? 157 A 1 +ATOM 2857 H HD13 . LEU A 1 167 ? -10.957 19.823 -17.209 1.0 19.94 ? 157 A 1 +ATOM 2858 H HD21 . LEU A 1 167 ? -12.798 17.351 -18.504 1.0 23.36 ? 157 A 1 +ATOM 2859 H HD22 . LEU A 1 167 ? -12.264 17.876 -17.103 1.0 23.36 ? 157 A 1 +ATOM 2860 H HD23 . LEU A 1 167 ? -13.772 18.137 -17.526 1.0 23.36 ? 157 A 1 +ATOM 2861 N N . LEU A 1 168 ? -12.489 22.052 -20.937 1.0 12.45 ? 158 A 1 +ATOM 2862 C CA . LEU A 1 168 ? -12.464 21.971 -22.415 1.0 12.01 ? 158 A 1 +ATOM 2863 C C . LEU A 1 168 ? -11.056 21.501 -22.773 1.0 12.52 ? 158 A 1 +ATOM 2864 O O . LEU A 1 168 ? -10.172 22.297 -23.081 1.0 12.77 ? 158 A 1 +ATOM 2865 C CB . LEU A 1 168 ? -12.812 23.313 -23.004 1.0 13.9 ? 158 A 1 +ATOM 2866 C CG . LEU A 1 168 ? -13.013 23.292 -24.541 1.0 13.57 ? 158 A 1 +ATOM 2867 C CD1 . LEU A 1 168 ? -14.305 22.688 -24.886 1.0 16.21 ? 158 A 1 +ATOM 2868 C CD2 . LEU A 1 168 ? -12.974 24.712 -25.095 1.0 18.41 ? 158 A 1 +ATOM 2869 H H . LEU A 1 168 ? -11.802 22.456 -20.612 1.0 14.94 ? 158 A 1 +ATOM 2870 H HA . LEU A 1 168 ? -13.103 21.325 -22.756 1.0 14.42 ? 158 A 1 +ATOM 2871 H HB2 . LEU A 1 168 ? -13.637 23.624 -22.601 1.0 16.68 ? 158 A 1 +ATOM 2872 H HB3 . LEU A 1 168 ? -12.092 23.934 -22.808 1.0 16.68 ? 158 A 1 +ATOM 2873 H HG . LEU A 1 168 ? -12.3 22.767 -24.938 1.0 16.29 ? 158 A 1 +ATOM 2874 H HD11 . LEU A 1 168 ? -14.431 22.737 -25.847 1.0 19.45 ? 158 A 1 +ATOM 2875 H HD12 . LEU A 1 168 ? -14.307 21.761 -24.599 1.0 19.45 ? 158 A 1 +ATOM 2876 H HD13 . LEU A 1 168 ? -15.012 23.175 -24.435 1.0 19.45 ? 158 A 1 +ATOM 2877 H HD21 . LEU A 1 168 ? -13.09 24.679 -26.057 1.0 22.09 ? 158 A 1 +ATOM 2878 H HD22 . LEU A 1 168 ? -13.691 25.227 -24.693 1.0 22.09 ? 158 A 1 +ATOM 2879 H HD23 . LEU A 1 168 ? -12.118 25.112 -24.878 1.0 22.09 ? 158 A 1 +ATOM 2880 N N . ARG A 1 169 ? -10.852 20.185 -22.674 1.0 13.09 ? 159 A 1 +ATOM 2881 C CA . ARG A 1 169 ? -9.519 19.619 -22.93 1.0 12.94 ? 159 A 1 +ATOM 2882 C C . ARG A 1 169 ? -9.072 20.043 -24.331 1.0 13.57 ? 159 A 1 +ATOM 2883 O O . ARG A 1 169 ? -9.855 19.99 -25.278 1.0 14.37 ? 159 A 1 +ATOM 2884 C CB . ARG A 1 169 ? -9.57 18.102 -22.758 1.0 13.63 ? 159 A 1 +ATOM 2885 C CG . ARG A 1 169 ? -9.823 17.728 -21.292 1.0 13.48 ? 159 A 1 +ATOM 2886 C CD . ARG A 1 169 ? -10.055 16.256 -21.059 1.0 15.89 ? 159 A 1 +ATOM 2887 N NE . ARG A 1 169 ? -8.803 15.522 -21.301 1.0 14.63 ? 159 A 1 +ATOM 2888 C CZ . ARG A 1 169 ? -8.677 14.201 -21.368 1.0 15.24 ? 159 A 1 +ATOM 2889 N NH1 . ARG A 1 169 ? -7.541 13.625 -21.688 1.0 16.68 ? 159 A 1 +ATOM 2890 N NH2 . ARG A 1 169 ? -9.723 13.474 -21.105 1.0 16.5 ? 159 A 1 +ATOM 2891 H H . ARG A 1 169 ? -11.454 19.607 -22.465 1.0 15.7 ? 159 A 1 +ATOM 2892 H HA . ARG A 1 169 ? -8.858 19.944 -22.299 1.0 15.53 ? 159 A 1 +ATOM 2893 H HB2 . ARG A 1 169 ? -10.29 17.74 -23.298 1.0 16.36 ? 159 A 1 +ATOM 2894 H HB3 . ARG A 1 169 ? -8.723 17.717 -23.033 1.0 16.36 ? 159 A 1 +ATOM 2895 H HG2 . ARG A 1 169 ? -9.051 17.99 -20.766 1.0 16.18 ? 159 A 1 +ATOM 2896 H HG3 . ARG A 1 169 ? -10.611 18.201 -20.982 1.0 16.18 ? 159 A 1 +ATOM 2897 H HD2 . ARG A 1 169 ? -10.335 16.107 -20.142 1.0 19.06 ? 159 A 1 +ATOM 2898 H HD3 . ARG A 1 169 ? -10.734 15.928 -21.67 1.0 19.06 ? 159 A 1 +ATOM 2899 H HE . ARG A 1 169 ? -8.089 15.989 -21.408 1.0 17.56 ? 159 A 1 +ATOM 2900 H HH11 . ARG A 1 169 ? -6.849 14.106 -21.861 1.0 20.02 ? 159 A 1 +ATOM 2901 H HH12 . ARG A 1 169 ? -7.488 12.768 -21.723 1.0 20.02 ? 159 A 1 +ATOM 2902 H HH21 . ARG A 1 169 ? -10.466 13.852 -20.896 1.0 19.8 ? 159 A 1 +ATOM 2903 H HH22 . ARG A 1 169 ? -9.67 12.617 -21.141 1.0 19.8 ? 159 A 1 +ATOM 2904 N N . HIS A 1 170 ? -7.824 20.536 -24.447 1.0 13.58 ? 160 A 1 +ATOM 2905 C CA . HIS A 1 170 ? -7.404 21.02 -25.761 1.0 13.51 ? 160 A 1 +ATOM 2906 C C . HIS A 1 170 ? -7.076 19.92 -26.766 1.0 13.54 ? 160 A 1 +ATOM 2907 O O . HIS A 1 170 ? -6.96 20.206 -27.973 1.0 14.17 ? 160 A 1 +ATOM 2908 C CB . HIS A 1 170 ? -6.276 22.035 -25.631 1.0 14.22 ? 160 A 1 +ATOM 2909 C CG . HIS A 1 170 ? -4.955 21.449 -25.304 1.0 14.53 ? 160 A 1 +ATOM 2910 N ND1 . HIS A 1 170 ? -4.508 21.144 -24.016 1.0 15.2 ? 160 A 1 +ATOM 2911 C CD2 . HIS A 1 170 ? -3.946 21.094 -26.139 1.0 16.05 ? 160 A 1 +ATOM 2912 C CE1 . HIS A 1 170 ? -3.303 20.632 -24.114 1.0 14.74 ? 160 A 1 +ATOM 2913 N NE2 . HIS A 1 170 ? -2.927 20.613 -25.392 1.0 15.69 ? 160 A 1 +ATOM 2914 H H . HIS A 1 170 ? -7.244 20.594 -23.816 1.0 16.29 ? 160 A 1 +ATOM 2915 H HA . HIS A 1 170 ? -8.151 21.5 -26.153 1.0 16.22 ? 160 A 1 +ATOM 2916 H HB2 . HIS A 1 170 ? -6.186 22.508 -26.473 1.0 17.07 ? 160 A 1 +ATOM 2917 H HB3 . HIS A 1 170 ? -6.502 22.659 -24.923 1.0 17.07 ? 160 A 1 +ATOM 2918 H HD2 . HIS A 1 170 ? -3.954 21.168 -27.066 1.0 19.26 ? 160 A 1 +ATOM 2919 H HE1 . HIS A 1 170 ? -2.79 20.328 -23.4 1.0 17.69 ? 160 A 1 +ATOM 2920 H HE2 . HIS A 1 170 ? -2.168 20.343 -25.69 1.0 18.83 ? 160 A 1 +ATOM 2921 N N . GLU A 1 171 ? -6.902 18.693 -26.301 1.0 13.91 ? 161 A 1 +ATOM 2922 C CA . GLU A 1 171 ? -6.73 17.463 -27.078 1.0 14.36 ? 161 A 1 +ATOM 2923 C C . GLU A 1 171 ? -5.338 17.311 -27.657 1.0 13.81 ? 161 A 1 +ATOM 2924 O O . GLU A 1 171 ? -4.609 16.377 -27.36 1.0 14.04 ? 161 A 1 +ATOM 2925 C CB . GLU A 1 171 ? -7.824 17.327 -28.146 1.0 15.16 ? 161 A 1 +ATOM 2926 C CG . GLU A 1 171 ? -9.246 17.641 -27.712 1.0 14.74 ? 161 A 1 +ATOM 2927 C CD . GLU A 1 171 ? -9.766 16.888 -26.529 1.0 16.22 ? 161 A 1 +ATOM 2928 O OE1 . GLU A 1 171 ? -9.065 16.106 -25.895 1.0 16.7 ? 161 A 1 +ATOM 2929 O OE2 . GLU A 1 171 ? -10.97 17.087 -26.274 1.0 16.96 ? 161 A 1 +ATOM 2930 H H . GLU A 1 171 ? -6.876 18.523 -25.459 1.0 16.69 ? 161 A 1 +ATOM 2931 H HA . GLU A 1 171 ? -6.832 16.715 -26.469 1.0 17.24 ? 161 A 1 +ATOM 2932 H HB2 . GLU A 1 171 ? -7.61 17.932 -28.874 1.0 18.2 ? 161 A 1 +ATOM 2933 H HB3 . GLU A 1 171 ? -7.821 16.411 -28.464 1.0 18.2 ? 161 A 1 +ATOM 2934 H HG2 . GLU A 1 171 ? -9.292 18.584 -27.491 1.0 17.69 ? 161 A 1 +ATOM 2935 H HG3 . GLU A 1 171 ? -9.838 17.446 -28.456 1.0 17.69 ? 161 A 1 +ATOM 2936 N N . THR A 1 172 ? -4.974 18.248 -28.521 1.0 14.83 ? 162 A 1 +ATOM 2937 C CA . THR A 1 172 ? -3.628 18.361 -29.103 1.0 15.52 ? 162 A 1 +ATOM 2938 C C . THR A 1 172 ? -3.39 19.817 -29.486 1.0 14.14 ? 162 A 1 +ATOM 2939 O O . THR A 1 172 ? -4.259 20.443 -30.098 1.0 15.14 ? 162 A 1 +ATOM 2940 C CB . THR A 1 172 ? -3.434 17.421 -30.309 1.0 15.04 ? 162 A 1 +ATOM 2941 O OG1 . THR A 1 172 ? -2.164 17.689 -30.907 1.0 16.04 ? 162 A 1 +ATOM 2942 C CG2 . THR A 1 172 ? -4.484 17.581 -31.401 1.0 16.66 ? 162 A 1 +ATOM 2943 H H . THR A 1 172 ? -5.506 18.862 -28.804 1.0 17.79 ? 162 A 1 +ATOM 2944 H HA . THR A 1 172 ? -2.962 18.11 -28.445 1.0 18.63 ? 162 A 1 +ATOM 2945 H HB . THR A 1 172 ? -3.505 16.514 -29.971 1.0 18.05 ? 162 A 1 +ATOM 2946 H HG1 . THR A 1 172 ? -1.55 17.553 -30.351 1.0 19.25 ? 162 A 1 +ATOM 2947 H HG21 . THR A 1 172 ? -4.308 16.961 -32.125 1.0 19.99 ? 162 A 1 +ATOM 2948 H HG22 . THR A 1 172 ? -5.367 17.402 -31.04 1.0 19.99 ? 162 A 1 +ATOM 2949 H HG23 . THR A 1 172 ? -4.465 18.486 -31.75 1.0 19.99 ? 162 A 1 +ATOM 2950 N N . ALA A 1 173 ? -2.216 20.32 -29.16 1.0 14.73 ? 163 A 1 +ATOM 2951 C CA . ALA A 1 173 ? -1.826 21.656 -29.551 1.0 15.07 ? 163 A 1 +ATOM 2952 C C . ALA A 1 173 ? -1.236 21.7 -30.946 1.0 18.64 ? 163 A 1 +ATOM 2953 O O . ALA A 1 173 ? -0.85 22.786 -31.406 1.0 20.15 ? 163 A 1 +ATOM 2954 C CB . ALA A 1 173 ? -0.843 22.211 -28.521 1.0 17.8 ? 163 A 1 +ATOM 2955 H H . ALA A 1 173 ? -1.619 19.9 -28.705 1.0 17.67 ? 163 A 1 +ATOM 2956 H HA . ALA A 1 173 ? -2.601 22.24 -29.556 1.0 18.09 ? 163 A 1 +ATOM 2957 H HB1 . ALA A 1 173 ? -0.574 23.104 -28.79 1.0 21.36 ? 163 A 1 +ATOM 2958 H HB2 . ALA A 1 173 ? -1.278 22.244 -27.654 1.0 21.36 ? 163 A 1 +ATOM 2959 H HB3 . ALA A 1 173 ? -0.067 21.63 -28.48 1.0 21.36 ? 163 A 1 +ATOM 2960 N N . ASN A 1 174 ? -1.115 20.596 -31.659 1.0 16.02 ? 164 A 1 +ATOM 2961 C CA . ASN A 1 174 ? -0.619 20.624 -33.039 1.0 15.99 ? 164 A 1 +ATOM 2962 C C . ASN A 1 174 ? -1.806 20.975 -33.933 1.0 15.66 ? 164 A 1 +ATOM 2963 O O . ASN A 1 174 ? -2.766 20.205 -34.016 1.0 15.69 ? 164 A 1 +ATOM 2964 C CB . ASN A 1 174 ? -0.11 19.208 -33.355 1.0 16.61 ? 164 A 1 +ATOM 2965 C CG . ASN A 1 174 ? 0.37 19.065 -34.777 1.0 16.91 ? 164 A 1 +ATOM 2966 O OD1 . ASN A 1 174 ? -0.224 19.61 -35.727 1.0 17.5 ? 164 A 1 +ATOM 2967 N ND2 . ASN A 1 174 ? 1.457 18.382 -34.951 1.0 20.74 ? 164 A 1 +ATOM 2968 H H . ASN A 1 174 ? -1.313 19.81 -31.373 1.0 19.22 ? 164 A 1 +ATOM 2969 H HA . ASN A 1 174 ? 0.09 21.269 -33.185 1.0 19.18 ? 164 A 1 +ATOM 2970 H HB2 . ASN A 1 174 ? 0.632 19.0 -32.766 1.0 19.93 ? 164 A 1 +ATOM 2971 H HB3 . ASN A 1 174 ? -0.831 18.574 -33.217 1.0 19.93 ? 164 A 1 +ATOM 2972 H HD21 . ASN A 1 174 ? 1.773 18.271 -35.742 1.0 24.89 ? 164 A 1 +ATOM 2973 H HD22 . ASN A 1 174 ? 1.862 18.04 -34.274 1.0 24.89 ? 164 A 1 +ATOM 2974 N N . PRO A 1 175 ? -1.822 22.15 -34.587 1.0 16.01 ? 165 A 1 +ATOM 2975 C CA . PRO A 1 175 ? -3.031 22.543 -35.294 1.0 16.67 ? 165 A 1 +ATOM 2976 C C . PRO A 1 175 ? -3.313 21.701 -36.524 1.0 15.88 ? 165 A 1 +ATOM 2977 O O . PRO A 1 175 ? -4.493 21.571 -36.88 1.0 16.76 ? 165 A 1 +ATOM 2978 C CB . PRO A 1 175 ? -2.752 24.006 -35.68 1.0 18.89 ? 165 A 1 +ATOM 2979 C CG . PRO A 1 175 ? -1.281 24.162 -35.632 1.0 25.21 ? 165 A 1 +ATOM 2980 C CD . PRO A 1 175 ? -0.78 23.171 -34.612 1.0 17.94 ? 165 A 1 +ATOM 2981 H HA . PRO A 1 175 ? -3.79 22.501 -34.693 1.0 20.01 ? 165 A 1 +ATOM 2982 H HB2 . PRO A 1 175 ? -3.088 24.178 -36.574 1.0 22.66 ? 165 A 1 +ATOM 2983 H HB3 . PRO A 1 175 ? -3.182 24.599 -35.044 1.0 22.66 ? 165 A 1 +ATOM 2984 H HG2 . PRO A 1 175 ? -0.906 23.971 -36.506 1.0 30.25 ? 165 A 1 +ATOM 2985 H HG3 . PRO A 1 175 ? -1.059 25.068 -35.366 1.0 30.25 ? 165 A 1 +ATOM 2986 H HD2 . PRO A 1 175 ? 0.068 22.791 -34.889 1.0 21.52 ? 165 A 1 +ATOM 2987 H HD3 . PRO A 1 175 ? -0.687 23.59 -33.742 1.0 21.52 ? 165 A 1 +ATOM 2988 N N . VAL A 1 176 ? -2.284 21.131 -37.143 1.0 16.36 ? 166 A 1 +ATOM 2989 C CA . VAL A 1 176 ? -2.493 20.266 -38.29 1.0 16.56 ? 166 A 1 +ATOM 2990 C C . VAL A 1 176 ? -3.184 18.988 -37.83 1.0 16.62 ? 166 A 1 +ATOM 2991 O O . VAL A 1 176 ? -4.201 18.562 -38.395 1.0 17.35 ? 166 A 1 +ATOM 2992 C CB . VAL A 1 176 ? -1.149 20.038 -39.011 1.0 17.3 ? 166 A 1 +ATOM 2993 C CG1 . VAL A 1 176 ? -1.276 18.967 -40.08 1.0 18.43 ? 166 A 1 +ATOM 2994 C CG2 . VAL A 1 176 ? -0.65 21.321 -39.607 1.0 17.97 ? 166 A 1 +ATOM 2995 H H . VAL A 1 176 ? -1.46 21.23 -36.917 1.0 19.63 ? 166 A 1 +ATOM 2996 H HA . VAL A 1 176 ? -3.082 20.681 -38.94 1.0 19.87 ? 166 A 1 +ATOM 2997 H HB . VAL A 1 176 ? -0.5 19.729 -38.359 1.0 20.76 ? 166 A 1 +ATOM 2998 H HG11 . VAL A 1 176 ? -0.463 18.952 -40.61 1.0 22.12 ? 166 A 1 +ATOM 2999 H HG12 . VAL A 1 176 ? -1.408 18.107 -39.652 1.0 22.12 ? 166 A 1 +ATOM 3000 H HG13 . VAL A 1 176 ? -2.035 19.176 -40.647 1.0 22.12 ? 166 A 1 +ATOM 3001 H HG21 . VAL A 1 176 ? 0.198 21.155 -40.048 1.0 21.56 ? 166 A 1 +ATOM 3002 H HG22 . VAL A 1 176 ? -1.3 21.644 -40.25 1.0 21.56 ? 166 A 1 +ATOM 3003 H HG23 . VAL A 1 176 ? -0.532 21.973 -38.899 1.0 21.56 ? 166 A 1 +ATOM 3004 N N . LEU A 1 177 ? -2.618 18.331 -36.829 1.0 16.21 ? 167 A 1 +ATOM 3005 C CA . LEU A 1 177 ? -3.235 17.12 -36.291 1.0 16.88 ? 167 A 1 +ATOM 3006 C C . LEU A 1 177 ? -4.613 17.423 -35.751 1.0 15.39 ? 167 A 1 +ATOM 3007 O O . LEU A 1 177 ? -5.534 16.586 -35.845 1.0 15.81 ? 167 A 1 +ATOM 3008 C CB . LEU A 1 177 ? -2.342 16.569 -35.202 1.0 18.25 ? 167 A 1 +ATOM 3009 C CG . LEU A 1 177 ? -2.755 15.207 -34.72 1.0 19.18 ? 167 A 1 +ATOM 3010 C CD1 . LEU A 1 177 ? -2.801 14.194 -35.769 1.0 22.07 ? 167 A 1 +ATOM 3011 C CD2 . LEU A 1 177 ? -1.824 14.793 -33.538 1.0 23.66 ? 167 A 1 +ATOM 3012 H H . LEU A 1 177 ? -1.884 18.559 -36.444 1.0 19.45 ? 167 A 1 +ATOM 3013 H HA . LEU A 1 177 ? -3.327 16.451 -36.987 1.0 20.25 ? 167 A 1 +ATOM 3014 H HB2 . LEU A 1 177 ? -1.437 16.502 -35.544 1.0 21.89 ? 167 A 1 +ATOM 3015 H HB3 . LEU A 1 177 ? -2.366 17.173 -34.443 1.0 21.89 ? 167 A 1 +ATOM 3016 H HG . LEU A 1 177 ? -3.673 15.255 -34.41 1.0 23.02 ? 167 A 1 +ATOM 3017 H HD11 . LEU A 1 177 ? -2.878 13.318 -35.359 1.0 26.49 ? 167 A 1 +ATOM 3018 H HD12 . LEU A 1 177 ? -3.569 14.362 -36.337 1.0 26.49 ? 167 A 1 +ATOM 3019 H HD13 . LEU A 1 177 ? -1.985 14.243 -36.291 1.0 26.49 ? 167 A 1 +ATOM 3020 H HD21 . LEU A 1 177 ? -2.09 13.917 -33.218 1.0 28.39 ? 167 A 1 +ATOM 3021 H HD22 . LEU A 1 177 ? -0.907 14.766 -33.852 1.0 28.39 ? 167 A 1 +ATOM 3022 H HD23 . LEU A 1 177 ? -1.911 15.445 -32.825 1.0 28.39 ? 167 A 1 +ATOM 3023 N N . HIS A 1 178 ? -4.773 18.551 -35.048 1.0 14.71 ? 168 A 1 +ATOM 3024 C CA . HIS A 1 178 ? -6.075 18.856 -34.433 1.0 14.19 ? 168 A 1 +ATOM 3025 C C . HIS A 1 178 ? -7.177 18.816 -35.474 1.0 14.82 ? 168 A 1 +ATOM 3026 O O . HIS A 1 178 ? -8.227 18.225 -35.269 1.0 15.09 ? 168 A 1 +ATOM 3027 C CB . HIS A 1 178 ? -5.99 20.221 -33.726 1.0 14.57 ? 168 A 1 +ATOM 3028 C CG . HIS A 1 178 ? -7.098 20.491 -32.764 1.0 13.59 ? 168 A 1 +ATOM 3029 N ND1 . HIS A 1 178 ? -6.899 20.484 -31.401 1.0 14.19 ? 168 A 1 +ATOM 3030 C CD2 . HIS A 1 178 ? -8.412 20.734 -32.95 1.0 13.43 ? 168 A 1 +ATOM 3031 C CE1 . HIS A 1 178 ? -8.056 20.745 -30.806 1.0 14.89 ? 168 A 1 +ATOM 3032 N NE2 . HIS A 1 178 ? -9.001 20.89 -31.71 1.0 14.51 ? 168 A 1 +ATOM 3033 H H . HIS A 1 178 ? -4.163 19.141 -34.915 1.0 17.65 ? 168 A 1 +ATOM 3034 H HA . HIS A 1 178 ? -6.295 18.194 -33.76 1.0 17.03 ? 168 A 1 +ATOM 3035 H HB2 . HIS A 1 178 ? -5.157 20.26 -33.231 1.0 17.48 ? 168 A 1 +ATOM 3036 H HB3 . HIS A 1 178 ? -6.009 20.919 -34.398 1.0 17.48 ? 168 A 1 +ATOM 3037 H HD1 . HIS A 1 178 ? -6.151 20.335 -31.003 1.0 17.02 ? 168 A 1 +ATOM 3038 H HD2 . HIS A 1 178 ? -8.846 20.788 -33.771 1.0 16.12 ? 168 A 1 +ATOM 3039 H HE1 . HIS A 1 178 ? -8.18 20.816 -29.887 1.0 17.86 ? 168 A 1 +ATOM 3040 N N . ARG A 1 179 ? -6.93 19.47 -36.637 1.0 14.75 ? 169 A 1 +ATOM 3041 C CA . ARG A 1 179 ? -7.937 19.523 -37.699 1.0 15.36 ? 169 A 1 +ATOM 3042 C C . ARG A 1 179 ? -8.155 18.168 -38.322 1.0 16.14 ? 169 A 1 +ATOM 3043 O O . ARG A 1 179 ? -9.291 17.844 -38.662 1.0 17.41 ? 169 A 1 +ATOM 3044 C CB . ARG A 1 179 ? -7.515 20.546 -38.744 1.0 17.93 ? 169 A 1 +ATOM 3045 C CG . ARG A 1 179 ? -8.44 20.653 -39.991 1.0 19.83 ? 169 A 1 +ATOM 3046 C CD . ARG A 1 179 ? -9.819 21.096 -39.601 1.0 18.64 ? 169 A 1 +ATOM 3047 N NE . ARG A 1 179 ? -10.652 21.177 -40.824 0.91 20.36 ? 169 A 1 +ATOM 3048 C CZ . ARG A 1 179 ? -11.823 21.772 -40.869 0.7 16.7 ? 169 A 1 +ATOM 3049 N NH1 . ARG A 1 179 ? -12.34 22.354 -39.801 1.0 20.35 ? 169 A 1 +ATOM 3050 N NH2 . ARG A 1 179 ? -12.509 21.803 -42.008 0.79 20.76 ? 169 A 1 +ATOM 3051 H H . ARG A 1 179 ? -6.197 19.88 -36.823 1.0 17.7 ? 169 A 1 +ATOM 3052 H HA . ARG A 1 179 ? -8.785 19.805 -37.323 1.0 18.44 ? 169 A 1 +ATOM 3053 H HB2 . ARG A 1 179 ? -7.495 21.42 -38.324 1.0 21.52 ? 169 A 1 +ATOM 3054 H HB3 . ARG A 1 179 ? -6.63 20.31 -39.062 1.0 21.52 ? 169 A 1 +ATOM 3055 H HG2 . ARG A 1 179 ? -8.074 21.302 -40.611 1.0 23.8 ? 169 A 1 +ATOM 3056 H HG3 . ARG A 1 179 ? -8.507 19.785 -40.42 1.0 23.8 ? 169 A 1 +ATOM 3057 H HD2 . ARG A 1 179 ? -10.214 20.454 -38.99 1.0 22.37 ? 169 A 1 +ATOM 3058 H HD3 . ARG A 1 179 ? -9.782 21.97 -39.183 1.0 22.37 ? 169 A 1 +ATOM 3059 H HE . ARG A 1 179 ? -10.352 20.815 -41.545 0.94 24.44 ? 169 A 1 +ATOM 3060 H HH11 . ARG A 1 179 ? -11.909 22.349 -39.057 1.0 24.42 ? 169 A 1 +ATOM 3061 H HH12 . ARG A 1 179 ? -13.108 22.738 -39.85 1.0 24.42 ? 169 A 1 +ATOM 3062 H HH21 . ARG A 1 179 ? -12.186 21.435 -42.715 0.84 24.91 ? 169 A 1 +ATOM 3063 H HH22 . ARG A 1 179 ? -13.275 22.192 -42.038 0.84 24.91 ? 169 A 1 +ATOM 3064 N N . LYS A 1 180 ? -7.113 17.367 -38.478 1.0 15.5 ? 170 A 1 +ATOM 3065 C CA . LYS A 1 180 ? -7.266 16.027 -39.022 1.0 16.18 ? 170 A 1 +ATOM 3066 C C . LYS A 1 180 ? -8.154 15.184 -38.112 1.0 16.83 ? 170 A 1 +ATOM 3067 O O . LYS A 1 180 ? -8.998 14.415 -38.576 1.0 18.26 ? 170 A 1 +ATOM 3068 C CB . LYS A 1 180 ? -5.931 15.36 -39.212 1.0 18.26 ? 170 A 1 +ATOM 3069 C CG . LYS A 1 180 ? -5.102 15.969 -40.334 0.91 20.92 ? 170 A 1 +ATOM 3070 C CD . LYS A 1 180 ? -3.747 15.312 -40.453 0.97 29.52 ? 170 A 1 +ATOM 3071 C CE . LYS A 1 180 ? -2.912 15.822 -41.649 1.0 33.57 ? 170 A 1 +ATOM 3072 N NZ . LYS A 1 180 ? -1.579 15.197 -41.5 0.56 29.19 ? 170 A 1 +ATOM 3073 H H . LYS A 1 180 ? -6.303 17.574 -38.277 1.0 18.6 ? 170 A 1 +ATOM 3074 H HA . LYS A 1 180 ? -7.678 16.094 -39.898 1.0 19.42 ? 170 A 1 +ATOM 3075 H HB2 . LYS A 1 180 ? -5.423 15.44 -38.39 1.0 21.91 ? 170 A 1 +ATOM 3076 H HB3 . LYS A 1 180 ? -6.076 14.425 -39.423 1.0 21.91 ? 170 A 1 +ATOM 3077 H HG2 . LYS A 1 180 ? -5.569 15.853 -41.176 0.89 25.11 ? 170 A 1 +ATOM 3078 H HG3 . LYS A 1 180 ? -4.967 16.913 -40.156 0.88 25.11 ? 170 A 1 +ATOM 3079 H HD2 . LYS A 1 180 ? -3.242 15.488 -39.643 0.97 35.42 ? 170 A 1 +ATOM 3080 H HD3 . LYS A 1 180 ? -3.871 14.357 -40.565 0.98 35.42 ? 170 A 1 +ATOM 3081 H HE2 . LYS A 1 180 ? -3.312 15.548 -42.489 1.0 40.28 ? 170 A 1 +ATOM 3082 H HE3 . LYS A 1 180 ? -2.827 16.788 -41.621 1.0 40.28 ? 170 A 1 +ATOM 3083 H HZ1 . LYS A 1 180 ? -1.212 15.441 -40.726 0.52 35.02 ? 170 A 1 +ATOM 3084 H HZ2 . LYS A 1 180 ? -1.655 14.31 -41.516 0.52 35.02 ? 170 A 1 +ATOM 3085 H HZ3 . LYS A 1 180 ? -1.046 15.453 -42.165 0.52 35.02 ? 170 A 1 +ATOM 3086 N N . LEU A 1 181 ? -7.993 15.308 -36.778 1.0 15.03 ? 171 A 1 +ATOM 3087 C CA . LEU A 1 181 ? -8.727 14.463 -35.836 1.0 15.13 ? 171 A 1 +ATOM 3088 C C . LEU A 1 181 ? -10.085 15.032 -35.473 1.0 14.47 ? 171 A 1 +ATOM 3089 O O . LEU A 1 181 ? -10.953 14.286 -34.989 1.0 15.46 ? 171 A 1 +ATOM 3090 C CB . LEU A 1 181 ? -7.883 14.281 -34.58 1.0 15.33 ? 171 A 1 +ATOM 3091 C CG . LEU A 1 181 ? -6.603 13.56 -34.792 1.0 17.8 ? 171 A 1 +ATOM 3092 C CD1 . LEU A 1 181 ? -5.837 13.555 -33.437 1.0 21.67 ? 171 A 1 +ATOM 3093 C CD2 . LEU A 1 181 ? -6.786 12.175 -35.255 1.0 26.61 ? 171 A 1 +ATOM 3094 H H . LEU A 1 181 ? -7.465 15.874 -36.403 1.0 18.04 ? 171 A 1 +ATOM 3095 H HA . LEU A 1 181 ? -8.883 13.588 -36.225 1.0 18.16 ? 171 A 1 +ATOM 3096 H HB2 . LEU A 1 181 ? -7.669 15.157 -34.223 1.0 18.4 ? 171 A 1 +ATOM 3097 H HB3 . LEU A 1 181 ? -8.399 13.776 -33.932 1.0 18.4 ? 171 A 1 +ATOM 3098 H HG . LEU A 1 181 ? -6.102 14.011 -35.49 1.0 21.36 ? 171 A 1 +ATOM 3099 H HD11 . LEU A 1 181 ? -4.992 13.093 -33.553 1.0 26.0 ? 171 A 1 +ATOM 3100 H HD12 . LEU A 1 181 ? -5.677 14.471 -33.161 1.0 26.0 ? 171 A 1 +ATOM 3101 H HD13 . LEU A 1 181 ? -6.375 13.099 -32.771 1.0 26.0 ? 171 A 1 +ATOM 3102 H HD21 . LEU A 1 181 ? -5.935 11.712 -35.209 1.0 31.93 ? 171 A 1 +ATOM 3103 H HD22 . LEU A 1 181 ? -7.433 11.734 -34.683 1.0 31.93 ? 171 A 1 +ATOM 3104 H HD23 . LEU A 1 181 ? -7.107 12.187 -36.17 1.0 31.93 ? 171 A 1 +ATOM 3105 N N . ARG A 1 182 ? -10.309 16.324 -35.693 1.0 14.44 ? 172 A 1 +ATOM 3106 C CA . ARG A 1 182 ? -11.513 17.049 -35.271 1.0 15.36 ? 172 A 1 +ATOM 3107 C C . ARG A 1 182 ? -11.984 17.856 -36.478 1.0 16.65 ? 172 A 1 +ATOM 3108 O O . ARG A 1 182 ? -11.844 19.077 -36.527 1.0 16.03 ? 172 A 1 +ATOM 3109 C CB . ARG A 1 182 ? -11.227 17.919 -34.047 1.0 14.93 ? 172 A 1 +ATOM 3110 C CG . ARG A 1 182 ? -10.549 17.103 -32.93 1.0 14.04 ? 172 A 1 +ATOM 3111 C CD . ARG A 1 182 ? -10.448 17.867 -31.618 1.0 15.15 ? 172 A 1 +ATOM 3112 N NE . ARG A 1 182 ? -11.805 18.034 -31.068 1.0 15.22 ? 172 A 1 +ATOM 3113 C CZ . ARG A 1 182 ? -12.451 19.183 -30.883 1.0 15.25 ? 172 A 1 +ATOM 3114 N NH1 . ARG A 1 182 ? -11.868 20.348 -31.065 1.0 14.87 ? 172 A 1 +ATOM 3115 N NH2 . ARG A 1 182 ? -13.757 19.121 -30.546 1.0 16.02 ? 172 A 1 +ATOM 3116 H H . ARG A 1 182 ? -9.751 16.832 -36.105 1.0 17.33 ? 172 A 1 +ATOM 3117 H HA . ARG A 1 182 ? -12.221 16.439 -35.012 1.0 18.43 ? 172 A 1 +ATOM 3118 H HB2 . ARG A 1 182 ? -10.636 18.645 -34.299 1.0 17.92 ? 172 A 1 +ATOM 3119 H HB3 . ARG A 1 182 ? -12.062 18.274 -33.704 1.0 17.92 ? 172 A 1 +ATOM 3120 H HG2 . ARG A 1 182 ? -11.066 16.298 -32.768 1.0 16.85 ? 172 A 1 +ATOM 3121 H HG3 . ARG A 1 182 ? -9.65 16.869 -33.21 1.0 16.85 ? 172 A 1 +ATOM 3122 H HD2 . ARG A 1 182 ? -9.908 17.37 -30.984 1.0 18.19 ? 172 A 1 +ATOM 3123 H HD3 . ARG A 1 182 ? -10.058 18.742 -31.771 1.0 18.19 ? 172 A 1 +ATOM 3124 H HE . ARG A 1 182 ? -12.223 17.316 -30.845 1.0 18.26 ? 172 A 1 +ATOM 3125 H HH11 . ARG A 1 182 ? -11.045 20.383 -31.311 1.0 17.85 ? 172 A 1 +ATOM 3126 H HH12 . ARG A 1 182 ? -12.31 21.074 -30.937 1.0 17.85 ? 172 A 1 +ATOM 3127 H HH21 . ARG A 1 182 ? -14.143 18.358 -30.458 1.0 19.22 ? 172 A 1 +ATOM 3128 H HH22 . ARG A 1 182 ? -14.203 19.845 -30.418 1.0 19.22 ? 172 A 1 +ATOM 3129 N N . PRO A 1 183 ? -12.56 17.179 -37.467 1.0 16.51 ? 173 A 1 +ATOM 3130 C CA . PRO A 1 183 ? -12.758 17.788 -38.794 1.0 15.91 ? 173 A 1 +ATOM 3131 C C . PRO A 1 183 ? -13.825 18.842 -38.819 1.0 17.73 ? 173 A 1 +ATOM 3132 O O . PRO A 1 183 ? -13.948 19.528 -39.849 1.0 20.77 ? 173 A 1 +ATOM 3133 C CB . PRO A 1 183 ? -13.121 16.576 -39.667 1.0 18.74 ? 173 A 1 +ATOM 3134 C CG . PRO A 1 183 ? -13.742 15.596 -38.693 1.0 20.41 ? 173 A 1 +ATOM 3135 C CD . PRO A 1 183 ? -12.9 15.753 -37.44 1.0 18.35 ? 173 A 1 +ATOM 3136 H HA . PRO A 1 183 ? -11.934 18.178 -39.123 1.0 19.1 ? 173 A 1 +ATOM 3137 H HB2 . PRO A 1 183 ? -13.755 16.837 -40.354 1.0 22.49 ? 173 A 1 +ATOM 3138 H HB3 . PRO A 1 183 ? -12.322 16.207 -40.075 1.0 22.49 ? 173 A 1 +ATOM 3139 H HG2 . PRO A 1 183 ? -14.668 15.83 -38.525 1.0 24.49 ? 173 A 1 +ATOM 3140 H HG3 . PRO A 1 183 ? -13.686 14.693 -39.043 1.0 24.49 ? 173 A 1 +ATOM 3141 H HD2 . PRO A 1 183 ? -13.411 15.531 -36.646 1.0 22.02 ? 173 A 1 +ATOM 3142 H HD3 . PRO A 1 183 ? -12.102 15.203 -37.484 1.0 22.02 ? 173 A 1 +ATOM 3143 N N . ASP A 1 184 ? -14.589 19.016 -37.754 1.0 16.83 ? 174 A 1 +ATOM 3144 C CA . ASP A 1 184 ? -15.603 20.044 -37.645 1.0 17.62 ? 174 A 1 +ATOM 3145 C C . ASP A 1 184 ? -15.039 21.372 -37.208 1.0 18.66 ? 174 A 1 +ATOM 3146 O O . ASP A 1 184 ? -15.772 22.365 -37.245 1.0 21.15 ? 174 A 1 +ATOM 3147 C CB . ASP A 1 184 ? -16.651 19.627 -36.58 1.0 17.72 ? 174 A 1 +ATOM 3148 C CG . ASP A 1 184 ? -17.26 18.324 -36.912 1.0 17.86 ? 174 A 1 +ATOM 3149 O OD1 . ASP A 1 184 ? -18.078 18.254 -37.85 1.0 21.8 ? 174 A 1 +ATOM 3150 O OD2 . ASP A 1 184 ? -16.927 17.331 -36.246 1.0 21.03 ? 174 A 1 +ATOM 3151 H H . ASP A 1 184 ? -14.537 18.527 -37.049 1.0 20.19 ? 174 A 1 +ATOM 3152 H HA . ASP A 1 184 ? -16.031 20.142 -38.511 1.0 21.14 ? 174 A 1 +ATOM 3153 H HB2 . ASP A 1 184 ? -16.219 19.551 -35.715 1.0 21.26 ? 174 A 1 +ATOM 3154 H HB3 . ASP A 1 184 ? -17.355 20.293 -36.543 1.0 21.26 ? 174 A 1 +ATOM 3155 N N . THR A 1 185 ? -13.802 21.415 -36.728 1.0 15.82 ? 175 A 1 +ATOM 3156 C CA . THR A 1 185 ? -13.351 22.579 -35.989 1.0 15.75 ? 175 A 1 +ATOM 3157 C C . THR A 1 185 ? -11.857 22.743 -36.13 1.0 16.0 ? 175 A 1 +ATOM 3158 O O . THR A 1 185 ? -11.293 22.313 -37.139 1.0 16.61 ? 175 A 1 +ATOM 3159 C CB . THR A 1 185 ? -13.907 22.485 -34.557 1.0 15.43 ? 175 A 1 +ATOM 3160 O OG1 . THR A 1 185 ? -13.567 23.704 -33.872 1.0 16.44 ? 175 A 1 +ATOM 3161 C CG2 . THR A 1 185 ? -13.387 21.28 -33.783 1.0 15.42 ? 175 A 1 +ATOM 3162 H H . THR A 1 185 ? -13.216 20.791 -36.817 1.0 18.99 ? 175 A 1 +ATOM 3163 H HA . THR A 1 185 ? -13.697 23.416 -36.337 1.0 18.91 ? 175 A 1 +ATOM 3164 H HB . THR A 1 185 ? -14.868 22.363 -34.596 1.0 18.52 ? 175 A 1 +ATOM 3165 H HG1 . THR A 1 185 ? -13.831 23.669 -33.075 1.0 19.73 ? 175 A 1 +ATOM 3166 H HG21 . THR A 1 185 ? -13.76 21.275 -32.887 1.0 18.5 ? 175 A 1 +ATOM 3167 H HG22 . THR A 1 185 ? -13.642 20.461 -34.235 1.0 18.5 ? 175 A 1 +ATOM 3168 H HG23 . THR A 1 185 ? -12.42 21.318 -33.721 1.0 18.5 ? 175 A 1 +ATOM 3169 N N . SER A 1 186 ? -11.191 23.381 -35.167 1.0 16.36 ? 176 A 1 +ATOM 3170 C CA . SER A 1 186 ? -9.781 23.702 -35.312 1.0 16.12 ? 176 A 1 +ATOM 3171 C C . SER A 1 186 ? -9.211 24.004 -33.955 1.0 15.75 ? 176 A 1 +ATOM 3172 O O . SER A 1 186 ? -9.952 24.336 -33.002 1.0 15.6 ? 176 A 1 +ATOM 3173 C CB . SER A 1 186 ? -9.587 24.908 -36.21 1.0 16.76 ? 176 A 1 +ATOM 3174 O OG . SER A 1 186 ? -10.182 26.057 -35.62 1.0 18.4 ? 176 A 1 +ATOM 3175 H H . SER A 1 186 ? -11.538 23.637 -34.422 1.0 19.63 ? 176 A 1 +ATOM 3176 H HA . SER A 1 186 ? -9.32 22.936 -35.69 1.0 19.35 ? 176 A 1 +ATOM 3177 H HB2 . SER A 1 186 ? -8.637 25.067 -36.329 1.0 20.12 ? 176 A 1 +ATOM 3178 H HB3 . SER A 1 186 ? -10.005 24.737 -37.068 1.0 20.12 ? 176 A 1 +ATOM 3179 H HG . SER A 1 186 ? -10.083 26.722 -36.123 1.0 22.08 ? 176 A 1 +ATOM 3180 N N . PHE A 1 187 ? -7.891 23.931 -33.861 1.0 15.84 ? 177 A 1 +ATOM 3181 C CA . PHE A 1 187 ? -7.234 24.321 -32.62 1.0 16.52 ? 177 A 1 +ATOM 3182 C C . PHE A 1 187 ? -7.499 25.792 -32.329 1.0 17.1 ? 177 A 1 +ATOM 3183 O O . PHE A 1 187 ? -7.735 26.168 -31.186 1.0 17.16 ? 177 A 1 +ATOM 3184 C CB . PHE A 1 187 ? -5.734 24.055 -32.702 1.0 16.95 ? 177 A 1 +ATOM 3185 C CG . PHE A 1 187 ? -5.017 24.52 -31.466 1.0 18.37 ? 177 A 1 +ATOM 3186 C CD1 . PHE A 1 187 ? -5.061 23.83 -30.321 1.0 20.83 ? 177 A 1 +ATOM 3187 C CD2 . PHE A 1 187 ? -4.358 25.718 -31.523 1.0 23.95 ? 177 A 1 +ATOM 3188 C CE1 . PHE A 1 187 ? -4.428 24.321 -29.153 1.0 21.32 ? 177 A 1 +ATOM 3189 C CE2 . PHE A 1 187 ? -3.707 26.205 -30.371 1.0 28.46 ? 177 A 1 +ATOM 3190 C CZ . PHE A 1 187 ? -3.74 25.48 -29.238 1.0 23.62 ? 177 A 1 +ATOM 3191 H H . PHE A 1 187 ? -7.363 23.665 -34.485 1.0 19.0 ? 177 A 1 +ATOM 3192 H HA . PHE A 1 187 ? -7.585 23.786 -31.892 1.0 19.83 ? 177 A 1 +ATOM 3193 H HB2 . PHE A 1 187 ? -5.584 23.102 -32.8 1.0 20.35 ? 177 A 1 +ATOM 3194 H HB3 . PHE A 1 187 ? -5.366 24.529 -33.464 1.0 20.35 ? 177 A 1 +ATOM 3195 H HD1 . PHE A 1 187 ? -5.514 23.018 -30.291 1.0 25.0 ? 177 A 1 +ATOM 3196 H HD2 . PHE A 1 187 ? -4.34 26.206 -32.315 1.0 28.73 ? 177 A 1 +ATOM 3197 H HE1 . PHE A 1 187 ? -4.485 23.857 -28.349 1.0 25.59 ? 177 A 1 +ATOM 3198 H HE2 . PHE A 1 187 ? -3.259 27.019 -30.394 1.0 34.16 ? 177 A 1 +ATOM 3199 H HZ . PHE A 1 187 ? -3.275 25.786 -28.492 1.0 28.34 ? 177 A 1 +ATOM 3200 N N . GLU A 1 188 ? -7.492 26.647 -33.362 1.0 17.04 ? 178 A 1 +ATOM 3201 C CA . GLU A 1 188 ? -7.808 28.06 -33.145 1.0 18.15 ? 178 A 1 +ATOM 3202 C C . GLU A 1 188 ? -9.16 28.228 -32.487 1.0 17.91 ? 178 A 1 +ATOM 3203 O O . GLU A 1 188 ? -9.293 29.028 -31.561 1.0 17.8 ? 178 A 1 +ATOM 3204 C CB . GLU A 1 188 ? -7.761 28.77 -34.496 1.0 20.38 ? 178 A 1 +ATOM 3205 C CG . GLU A 1 188 ? -8.205 30.247 -34.468 1.0 27.3 ? 178 A 1 +ATOM 3206 C CD . GLU A 1 188 ? -8.187 30.909 -35.877 0.76 32.55 ? 178 A 1 +ATOM 3207 O OE1 . GLU A 1 188 ? -7.788 30.254 -36.853 0.63 34.22 ? 178 A 1 +ATOM 3208 O OE2 . GLU A 1 188 ? -8.583 32.087 -35.985 0.72 32.33 ? 178 A 1 +ATOM 3209 H H . GLU A 1 188 ? -7.312 26.437 -34.176 1.0 20.45 ? 178 A 1 +ATOM 3210 H HA . GLU A 1 188 ? -7.154 28.463 -32.553 1.0 21.78 ? 178 A 1 +ATOM 3211 H HB2 . GLU A 1 188 ? -6.849 28.746 -34.825 1.0 24.46 ? 178 A 1 +ATOM 3212 H HB3 . GLU A 1 188 ? -8.347 28.301 -35.111 1.0 24.46 ? 178 A 1 +ATOM 3213 H HG2 . GLU A 1 188 ? -9.111 30.297 -34.125 1.0 32.76 ? 178 A 1 +ATOM 3214 H HG3 . GLU A 1 188 ? -7.604 30.746 -33.894 1.0 32.76 ? 178 A 1 +ATOM 3215 N N . ASN A 1 189 ? -10.178 27.491 -32.924 1.0 16.85 ? 179 A 1 +ATOM 3216 C CA A ASN A 1 189 ? -11.495 27.583 -32.287 0.58 19.45 ? 179 A 1 +ATOM 3217 C CA B ASN A 1 189 ? -11.463 27.666 -32.264 0.42 14.99 ? 179 A 1 +ATOM 3218 C C . ASN A 1 189 ? -11.41 27.162 -30.838 1.0 18.07 ? 179 A 1 +ATOM 3219 O O . ASN A 1 189 ? -11.966 27.817 -29.948 1.0 18.18 ? 179 A 1 +ATOM 3220 C CB A ASN A 1 189 ? -12.513 26.664 -32.991 0.58 19.73 ? 179 A 1 +ATOM 3221 C CB B ASN A 1 189 ? -12.631 27.048 -33.042 0.42 15.31 ? 179 A 1 +ATOM 3222 C CG A ASN A 1 189 ? -13.05 27.237 -34.274 0.58 20.73 ? 179 A 1 +ATOM 3223 C CG B ASN A 1 189 ? -13.968 27.593 -32.564 0.42 18.49 ? 179 A 1 +ATOM 3224 O OD1 A ASN A 1 189 ? -12.799 28.391 -34.62 0.58 24.47 ? 179 A 1 +ATOM 3225 O OD1 B ASN A 1 189 ? -14.249 28.795 -32.716 0.42 26.37 ? 179 A 1 +ATOM 3226 N ND2 A ASN A 1 189 ? -13.811 26.408 -35.01 0.58 21.55 ? 179 A 1 +ATOM 3227 N ND2 B ASN A 1 189 ? -14.796 26.735 -31.969 0.42 16.91 ? 179 A 1 +ATOM 3228 H H A ASN A 1 189 ? -10.137 26.936 -33.58 0.58 20.22 ? 179 A 1 +ATOM 3229 H H B ASN A 1 189 ? -10.151 26.917 -33.564 0.42 20.22 ? 179 A 1 +ATOM 3230 H HA A ASN A 1 189 ? -11.794 28.503 -32.359 0.58 23.34 ? 179 A 1 +ATOM 3231 H HA B ASN A 1 189 ? -11.653 28.618 -32.25 0.42 17.98 ? 179 A 1 +ATOM 3232 H HB2 A ASN A 1 189 ? -12.082 25.821 -33.199 0.58 23.68 ? 179 A 1 +ATOM 3233 H HB2 B ASN A 1 189 ? -12.536 27.256 -33.984 0.42 18.38 ? 179 A 1 +ATOM 3234 H HB3 A ASN A 1 189 ? -13.264 26.515 -32.395 0.58 23.68 ? 179 A 1 +ATOM 3235 H HB3 B ASN A 1 189 ? -12.63 26.086 -32.913 0.42 18.38 ? 179 A 1 +ATOM 3236 H HD21 A ASN A 1 189 ? -14.146 26.679 -35.754 0.58 25.86 ? 179 A 1 +ATOM 3237 H HD21 B ASN A 1 189 ? -15.562 27.004 -31.684 0.42 20.3 ? 179 A 1 +ATOM 3238 H HD22 A ASN A 1 189 ? -13.963 25.607 -34.737 0.58 25.86 ? 179 A 1 +ATOM 3239 H HD22 B ASN A 1 189 ? -14.565 25.912 -31.87 0.42 20.3 ? 179 A 1 +ATOM 3240 N N . ARG A 1 190 ? -10.77 26.025 -30.606 1.0 16.49 ? 180 A 1 +ATOM 3241 C CA . ARG A 1 190 ? -10.691 25.475 -29.262 1.0 15.82 ? 180 A 1 +ATOM 3242 C C . ARG A 1 190 ? -10.0 26.475 -28.332 1.0 15.08 ? 180 A 1 +ATOM 3243 O O . ARG A 1 190 ? -10.439 26.727 -27.188 1.0 15.55 ? 180 A 1 +ATOM 3244 C CB . ARG A 1 190 ? -9.909 24.154 -29.315 1.0 17.32 ? 180 A 1 +ATOM 3245 C CG . ARG A 1 190 ? -10.059 23.255 -28.067 1.0 20.29 ? 180 A 1 +ATOM 3246 C CD . ARG A 1 190 ? -11.112 22.356 -28.231 1.0 17.85 ? 180 A 1 +ATOM 3247 N NE . ARG A 1 190 ? -11.308 21.313 -27.191 1.0 14.56 ? 180 A 1 +ATOM 3248 C CZ . ARG A 1 190 ? -12.457 20.689 -27.056 1.0 13.4 ? 180 A 1 +ATOM 3249 N NH1 . ARG A 1 190 ? -13.505 20.969 -27.827 1.0 14.54 ? 180 A 1 +ATOM 3250 N NH2 . ARG A 1 190 ? -12.59 19.783 -26.098 1.0 14.1 ? 180 A 1 +ATOM 3251 H H . ARG A 1 190 ? -10.374 25.554 -31.207 1.0 19.78 ? 180 A 1 +ATOM 3252 H HA . ARG A 1 190 ? -11.579 25.295 -28.917 1.0 18.98 ? 180 A 1 +ATOM 3253 H HB2 . ARG A 1 190 ? -10.219 23.645 -30.08 1.0 20.79 ? 180 A 1 +ATOM 3254 H HB3 . ARG A 1 190 ? -8.966 24.36 -29.413 1.0 20.79 ? 180 A 1 +ATOM 3255 H HG2 . ARG A 1 190 ? -9.241 22.75 -27.931 1.0 24.35 ? 180 A 1 +ATOM 3256 H HG3 . ARG A 1 190 ? -10.242 23.806 -27.29 1.0 24.35 ? 180 A 1 +ATOM 3257 H HD2 . ARG A 1 190 ? -11.935 22.868 -28.268 1.0 21.42 ? 180 A 1 +ATOM 3258 H HD3 . ARG A 1 190 ? -10.974 21.888 -29.069 1.0 21.42 ? 180 A 1 +ATOM 3259 H HE . ARG A 1 190 ? -10.656 21.113 -26.666 1.0 17.47 ? 180 A 1 +ATOM 3260 H HH11 . ARG A 1 190 ? -13.442 21.573 -28.435 1.0 17.45 ? 180 A 1 +ATOM 3261 H HH12 . ARG A 1 190 ? -14.245 20.545 -27.717 1.0 17.45 ? 180 A 1 +ATOM 3262 H HH21 . ARG A 1 190 ? -11.93 19.61 -25.575 1.0 16.91 ? 180 A 1 +ATOM 3263 H HH22 . ARG A 1 190 ? -13.337 19.368 -26.0 1.0 16.91 ? 180 A 1 +ATOM 3264 N N . LEU A 1 191 ? -8.88 27.026 -28.769 1.0 15.44 ? 181 A 1 +ATOM 3265 C CA . LEU A 1 191 ? -8.187 28.027 -27.984 1.0 16.84 ? 181 A 1 +ATOM 3266 C C . LEU A 1 191 ? -9.027 29.287 -27.765 1.0 16.31 ? 181 A 1 +ATOM 3267 O O . LEU A 1 191 ? -9.084 29.814 -26.645 1.0 16.84 ? 181 A 1 +ATOM 3268 C CB . LEU A 1 191 ? -6.867 28.371 -28.656 1.0 18.34 ? 181 A 1 +ATOM 3269 C CG . LEU A 1 191 ? -6.082 29.534 -28.038 1.0 19.33 ? 181 A 1 +ATOM 3270 C CD1 . LEU A 1 191 ? -5.744 29.236 -26.615 1.0 23.2 ? 181 A 1 +ATOM 3271 C CD2 . LEU A 1 191 ? -4.829 29.752 -28.848 1.0 26.11 ? 181 A 1 +ATOM 3272 H H . LEU A 1 191 ? -8.5 26.837 -29.517 1.0 18.53 ? 181 A 1 +ATOM 3273 H HA . LEU A 1 191 ? -8.005 27.656 -27.106 1.0 20.21 ? 181 A 1 +ATOM 3274 H HB2 . LEU A 1 191 ? -6.296 27.587 -28.62 1.0 22.0 ? 181 A 1 +ATOM 3275 H HB3 . LEU A 1 191 ? -7.05 28.605 -29.579 1.0 22.0 ? 181 A 1 +ATOM 3276 H HG . LEU A 1 191 ? -6.615 30.345 -28.047 1.0 23.19 ? 181 A 1 +ATOM 3277 H HD11 . LEU A 1 191 ? -5.153 29.927 -26.279 1.0 27.84 ? 181 A 1 +ATOM 3278 H HD12 . LEU A 1 191 ? -6.562 29.218 -26.094 1.0 27.84 ? 181 A 1 +ATOM 3279 H HD13 . LEU A 1 191 ? -5.304 28.373 -26.57 1.0 27.84 ? 181 A 1 +ATOM 3280 H HD21 . LEU A 1 191 ? -4.321 30.478 -28.454 1.0 31.33 ? 181 A 1 +ATOM 3281 H HD22 . LEU A 1 191 ? -4.302 28.938 -28.84 1.0 31.33 ? 181 A 1 +ATOM 3282 H HD23 . LEU A 1 191 ? -5.077 29.977 -29.759 1.0 31.33 ? 181 A 1 +ATOM 3283 N N . ASN A 1 192 ? -9.741 29.757 -28.783 1.0 16.83 ? 182 A 1 +ATOM 3284 C CA . ASN A 1 192 ? -10.603 30.907 -28.59 1.0 18.04 ? 182 A 1 +ATOM 3285 C C . ASN A 1 192 ? -11.645 30.64 -27.526 1.0 17.2 ? 182 A 1 +ATOM 3286 O O . ASN A 1 192 ? -11.946 31.521 -26.717 1.0 17.18 ? 182 A 1 +ATOM 3287 C CB . ASN A 1 192 ? -11.251 31.29 -29.907 1.0 18.85 ? 182 A 1 +ATOM 3288 C CG . ASN A 1 192 ? -10.29 32.007 -30.795 1.0 26.15 ? 182 A 1 +ATOM 3289 O OD1 . ASN A 1 192 ? -9.31 32.613 -30.307 1.0 28.13 ? 182 A 1 +ATOM 3290 N ND2 . ASN A 1 192 ? -10.561 31.998 -32.092 1.0 30.94 ? 182 A 1 +ATOM 3291 H H . ASN A 1 192 ? -9.742 29.432 -29.579 1.0 20.19 ? 182 A 1 +ATOM 3292 H HA . ASN A 1 192 ? -10.068 31.659 -28.292 1.0 21.65 ? 182 A 1 +ATOM 3293 H HB2 . ASN A 1 192 ? -11.55 30.488 -30.363 1.0 22.62 ? 182 A 1 +ATOM 3294 H HB3 . ASN A 1 192 ? -12.006 31.875 -29.736 1.0 22.62 ? 182 A 1 +ATOM 3295 H HD21 . ASN A 1 192 ? -10.036 32.398 -32.644 1.0 37.13 ? 182 A 1 +ATOM 3296 H HD22 . ASN A 1 192 ? -11.261 31.592 -32.383 1.0 37.13 ? 182 A 1 +ATOM 3297 N N . CYS A 1 193 ? -12.214 29.442 -27.499 1.0 15.78 ? 183 A 1 +ATOM 3298 C CA . CYS A 1 193 ? -13.152 29.079 -26.433 1.0 15.6 ? 183 A 1 +ATOM 3299 C C . CYS A 1 193 ? -12.469 29.127 -25.071 1.0 15.96 ? 183 A 1 +ATOM 3300 O O . CYS A 1 193 ? -13.009 29.728 -24.135 1.0 16.27 ? 183 A 1 +ATOM 3301 C CB . CYS A 1 193 ? -13.726 27.684 -26.684 1.0 14.69 ? 183 A 1 +ATOM 3302 S SG . CYS A 1 193 ? -14.872 27.56 -28.068 1.0 17.55 ? 183 A 1 +ATOM 3303 H H . CYS A 1 193 ? -12.079 28.822 -28.08 1.0 18.93 ? 183 A 1 +ATOM 3304 H HA . CYS A 1 193 ? -13.884 29.715 -26.437 1.0 18.72 ? 183 A 1 +ATOM 3305 H HB2 . CYS A 1 193 ? -12.99 27.077 -26.862 1.0 17.63 ? 183 A 1 +ATOM 3306 H HB3 . CYS A 1 193 ? -14.203 27.402 -25.887 1.0 17.63 ? 183 A 1 +ATOM 3307 H HG . CYS A 1 193 ? -14.31 27.9 -29.073 1.0 21.06 ? 183 A 1 +ATOM 3308 N N . LEU A 1 194 ? -11.285 28.527 -24.955 1.0 14.25 ? 184 A 1 +ATOM 3309 C CA . LEU A 1 194 ? -10.549 28.566 -23.674 1.0 15.1 ? 184 A 1 +ATOM 3310 C C . LEU A 1 194 ? -10.252 29.99 -23.251 1.0 15.98 ? 184 A 1 +ATOM 3311 O O . LEU A 1 194 ? -10.411 30.328 -22.046 1.0 16.97 ? 184 A 1 +ATOM 3312 C CB . LEU A 1 194 ? -9.233 27.794 -23.822 1.0 16.12 ? 184 A 1 +ATOM 3313 C CG . LEU A 1 194 ? -9.404 26.256 -23.814 1.0 14.93 ? 184 A 1 +ATOM 3314 C CD1 . LEU A 1 194 ? -8.178 25.552 -24.271 1.0 17.83 ? 184 A 1 +ATOM 3315 C CD2 . LEU A 1 194 ? -9.756 25.751 -22.425 1.0 16.59 ? 184 A 1 +ATOM 3316 H H . LEU A 1 194 ? -10.886 28.097 -25.585 1.0 17.1 ? 184 A 1 +ATOM 3317 H HA . LEU A 1 194 ? -11.094 28.149 -22.988 1.0 18.12 ? 184 A 1 +ATOM 3318 H HB2 . LEU A 1 194 ? -8.82 28.042 -24.664 1.0 19.34 ? 184 A 1 +ATOM 3319 H HB3 . LEU A 1 194 ? -8.65 28.03 -23.084 1.0 19.34 ? 184 A 1 +ATOM 3320 H HG . LEU A 1 194 ? -10.126 26.054 -24.431 1.0 17.92 ? 184 A 1 +ATOM 3321 H HD11 . LEU A 1 194 ? -8.35 24.597 -24.287 1.0 21.39 ? 184 A 1 +ATOM 3322 H HD12 . LEU A 1 194 ? -7.949 25.862 -25.161 1.0 21.39 ? 184 A 1 +ATOM 3323 H HD13 . LEU A 1 194 ? -7.455 25.747 -23.655 1.0 21.39 ? 184 A 1 +ATOM 3324 H HD21 . LEU A 1 194 ? -9.774 24.781 -22.436 1.0 19.91 ? 184 A 1 +ATOM 3325 H HD22 . LEU A 1 194 ? -9.086 26.062 -21.796 1.0 19.91 ? 184 A 1 +ATOM 3326 H HD23 . LEU A 1 194 ? -10.629 26.094 -22.175 1.0 19.91 ? 184 A 1 +ATOM 3327 N N . LEU A 1 195 ? -9.84 30.876 -24.177 1.0 16.21 ? 185 A 1 +ATOM 3328 C CA . LEU A 1 195 ? -9.575 32.266 -23.819 1.0 17.67 ? 185 A 1 +ATOM 3329 C C . LEU A 1 195 ? -10.834 32.978 -23.382 1.0 18.33 ? 185 A 1 +ATOM 3330 O O . LEU A 1 195 ? -10.782 33.801 -22.449 1.0 18.65 ? 185 A 1 +ATOM 3331 C CB . LEU A 1 195 ? -8.911 33.013 -24.978 1.0 21.23 ? 185 A 1 +ATOM 3332 C CG . LEU A 1 195 ? -7.53 32.472 -25.35 1.0 21.47 ? 185 A 1 +ATOM 3333 C CD1 . LEU A 1 195 ? -7.058 33.138 -26.642 1.0 24.07 ? 185 A 1 +ATOM 3334 C CD2 . LEU A 1 195 ? -6.558 32.694 -24.217 1.0 28.07 ? 185 A 1 +ATOM 3335 H H . LEU A 1 195 ? -9.711 30.693 -25.008 1.0 19.45 ? 185 A 1 +ATOM 3336 H HA . LEU A 1 195 ? -8.953 32.269 -23.074 1.0 21.21 ? 185 A 1 +ATOM 3337 H HB2 . LEU A 1 195 ? -9.479 32.94 -25.761 1.0 25.47 ? 185 A 1 +ATOM 3338 H HB3 . LEU A 1 195 ? -8.808 33.945 -24.73 1.0 25.47 ? 185 A 1 +ATOM 3339 H HG . LEU A 1 195 ? -7.572 31.515 -25.503 1.0 25.76 ? 185 A 1 +ATOM 3340 H HD11 . LEU A 1 195 ? -6.173 32.807 -26.863 1.0 28.88 ? 185 A 1 +ATOM 3341 H HD12 . LEU A 1 195 ? -7.679 32.921 -27.355 1.0 28.88 ? 185 A 1 +ATOM 3342 H HD13 . LEU A 1 195 ? -7.028 34.098 -26.51 1.0 28.88 ? 185 A 1 +ATOM 3343 H HD21 . LEU A 1 195 ? -5.658 32.516 -24.534 1.0 33.68 ? 185 A 1 +ATOM 3344 H HD22 . LEU A 1 195 ? -6.627 33.613 -23.916 1.0 33.68 ? 185 A 1 +ATOM 3345 H HD23 . LEU A 1 195 ? -6.777 32.09 -23.49 1.0 33.68 ? 185 A 1 +ATOM 3346 N N . THR A 1 196 ? -11.962 32.699 -24.044 1.0 17.38 ? 186 A 1 +ATOM 3347 C CA . THR A 1 196 ? -13.225 33.334 -23.674 1.0 19.54 ? 186 A 1 +ATOM 3348 C C . THR A 1 196 ? -13.618 32.869 -22.282 1.0 18.14 ? 186 A 1 +ATOM 3349 O O . THR A 1 196 ? -14.003 33.68 -21.427 1.0 19.74 ? 186 A 1 +ATOM 3350 C CB . THR A 1 196 ? -14.281 32.969 -24.704 1.0 19.47 ? 186 A 1 +ATOM 3351 O OG1 . THR A 1 196 ? -13.924 33.542 -25.966 1.0 22.21 ? 186 A 1 +ATOM 3352 C CG2 . THR A 1 196 ? -15.639 33.499 -24.352 1.0 22.86 ? 186 A 1 +ATOM 3353 H H . THR A 1 196 ? -12.02 32.152 -24.705 1.0 20.86 ? 186 A 1 +ATOM 3354 H HA . THR A 1 196 ? -13.146 34.301 -23.667 1.0 23.45 ? 186 A 1 +ATOM 3355 H HB . THR A 1 196 ? -14.33 32.001 -24.744 1.0 23.36 ? 186 A 1 +ATOM 3356 H HG1 . THR A 1 196 ? -13.18 33.242 -26.217 1.0 26.65 ? 186 A 1 +ATOM 3357 H HG21 . THR A 1 196 ? -16.244 33.386 -25.101 1.0 27.43 ? 186 A 1 +ATOM 3358 H HG22 . THR A 1 196 ? -15.993 33.021 -23.586 1.0 27.43 ? 186 A 1 +ATOM 3359 H HG23 . THR A 1 196 ? -15.58 34.443 -24.134 1.0 27.43 ? 186 A 1 +ATOM 3360 N N . LEU A 1 197 ? -13.522 31.584 -22.016 1.0 16.88 ? 187 A 1 +ATOM 3361 C CA . LEU A 1 197 ? -13.878 31.074 -20.687 1.0 16.43 ? 187 A 1 +ATOM 3362 C C . LEU A 1 197 ? -13.042 31.748 -19.621 1.0 18.73 ? 187 A 1 +ATOM 3363 O O . LEU A 1 197 ? -13.569 32.13 -18.56 1.0 18.75 ? 187 A 1 +ATOM 3364 C CB . LEU A 1 197 ? -13.684 29.575 -20.687 1.0 15.56 ? 187 A 1 +ATOM 3365 C CG . LEU A 1 197 ? -14.685 28.791 -21.531 1.0 16.06 ? 187 A 1 +ATOM 3366 C CD1 . LEU A 1 197 ? -14.19 27.399 -21.815 1.0 17.01 ? 187 A 1 +ATOM 3367 C CD2 . LEU A 1 197 ? -16.074 28.743 -20.92 1.0 16.89 ? 187 A 1 +ATOM 3368 H H . LEU A 1 197 ? -13.257 30.984 -22.572 1.0 20.26 ? 187 A 1 +ATOM 3369 H HA . LEU A 1 197 ? -14.808 31.26 -20.482 1.0 19.71 ? 187 A 1 +ATOM 3370 H HB2 . LEU A 1 197 ? -12.799 29.382 -21.032 1.0 18.68 ? 187 A 1 +ATOM 3371 H HB3 . LEU A 1 197 ? -13.762 29.257 -19.774 1.0 18.68 ? 187 A 1 +ATOM 3372 H HG . LEU A 1 197 ? -14.768 29.267 -22.372 1.0 19.27 ? 187 A 1 +ATOM 3373 H HD11 . LEU A 1 197 ? -14.857 26.927 -22.337 1.0 20.41 ? 187 A 1 +ATOM 3374 H HD12 . LEU A 1 197 ? -13.359 27.455 -22.313 1.0 20.41 ? 187 A 1 +ATOM 3375 H HD13 . LEU A 1 197 ? -14.041 26.939 -20.974 1.0 20.41 ? 187 A 1 +ATOM 3376 H HD21 . LEU A 1 197 ? -16.652 28.214 -21.491 1.0 20.26 ? 187 A 1 +ATOM 3377 H HD22 . LEU A 1 197 ? -16.018 28.339 -20.04 1.0 20.26 ? 187 A 1 +ATOM 3378 H HD23 . LEU A 1 197 ? -16.418 29.647 -20.847 1.0 20.26 ? 187 A 1 +ATOM 3379 N N . LYS A 1 198 ? -11.743 31.909 -19.84 1.0 17.29 ? 188 A 1 +ATOM 3380 C CA A LYS A 1 198 ? -10.914 32.583 -18.844 0.72 18.4 ? 188 A 1 +ATOM 3381 C CA B LYS A 1 198 ? -10.939 32.595 -18.815 0.28 19.31 ? 188 A 1 +ATOM 3382 C C . LYS A 1 198 ? -11.357 34.039 -18.665 1.0 19.45 ? 188 A 1 +ATOM 3383 O O . LYS A 1 198 ? -11.458 34.544 -17.545 1.0 21.57 ? 188 A 1 +ATOM 3384 C CB A LYS A 1 198 ? -9.456 32.503 -19.229 0.72 19.04 ? 188 A 1 +ATOM 3385 C CB B LYS A 1 198 ? -9.457 32.659 -19.084 0.28 24.88 ? 188 A 1 +ATOM 3386 C CG A LYS A 1 198 ? -8.535 32.872 -18.023 0.72 42.5 ? 188 A 1 +ATOM 3387 C CG B LYS A 1 198 ? -8.773 31.409 -19.368 0.28 21.61 ? 188 A 1 +ATOM 3388 C CD A LYS A 1 198 ? -7.02 32.848 -18.297 0.72 64.04 ? 188 A 1 +ATOM 3389 C CD B LYS A 1 198 ? -7.906 31.675 -20.6 0.28 59.29 ? 188 A 1 +ATOM 3390 C CE A LYS A 1 198 ? -6.452 31.466 -18.639 0.72 55.02 ? 188 A 1 +ATOM 3391 C CE B LYS A 1 198 ? -6.507 31.137 -20.448 0.28 31.91 ? 188 A 1 +ATOM 3392 N NZ A LYS A 1 198 ? -6.54 31.121 -20.101 0.72 39.29 ? 188 A 1 +ATOM 3393 N NZ B LYS A 1 198 ? -6.023 31.481 -19.085 0.28 49.58 ? 188 A 1 +ATOM 3394 H H . LYS A 1 198 ? -11.32 31.645 -20.54 1.0 20.75 ? 188 A 1 +ATOM 3395 H HA . LYS A 1 198 ? -11.011 32.13 -17.992 1.0 23.17 ? 188 A 1 +ATOM 3396 H HB2 A LYS A 1 198 ? -9.247 31.599 -19.511 0.72 22.85 ? 188 A 1 +ATOM 3397 H HB2 B LYS A 1 198 ? -9.319 33.235 -19.852 0.28 29.86 ? 188 A 1 +ATOM 3398 H HB3 A LYS A 1 198 ? -9.279 33.126 -19.952 0.72 22.85 ? 188 A 1 +ATOM 3399 H HB3 B LYS A 1 198 ? -9.03 33.041 -18.301 0.28 29.86 ? 188 A 1 +ATOM 3400 H HG2 A LYS A 1 198 ? -8.758 33.771 -17.734 0.72 51.0 ? 188 A 1 +ATOM 3401 H HG2 B LYS A 1 198 ? -8.212 31.149 -18.621 0.28 25.93 ? 188 A 1 +ATOM 3402 H HG3 A LYS A 1 198 ? -8.705 32.241 -17.306 0.72 51.0 ? 188 A 1 +ATOM 3403 H HG3 B LYS A 1 198 ? -9.413 30.706 -19.563 0.28 25.93 ? 188 A 1 +ATOM 3404 H HD2 A LYS A 1 198 ? -6.832 33.433 -19.047 0.72 76.84 ? 188 A 1 +ATOM 3405 H HD2 B LYS A 1 198 ? -8.31 31.248 -21.371 0.28 71.15 ? 188 A 1 +ATOM 3406 H HD3 A LYS A 1 198 ? -6.558 33.165 -17.505 0.72 76.84 ? 188 A 1 +ATOM 3407 H HD3 B LYS A 1 198 ? -7.845 32.632 -20.744 0.28 71.15 ? 188 A 1 +ATOM 3408 H HE2 A LYS A 1 198 ? -5.517 31.44 -18.384 0.72 66.03 ? 188 A 1 +ATOM 3409 H HE2 B LYS A 1 198 ? -6.507 30.172 -20.552 0.28 38.29 ? 188 A 1 +ATOM 3410 H HE3 A LYS A 1 198 ? -6.949 30.794 -18.146 0.72 66.03 ? 188 A 1 +ATOM 3411 H HE3 B LYS A 1 198 ? -5.92 31.541 -21.106 0.28 38.29 ? 188 A 1 +ATOM 3412 H HZ1 A LYS A 1 198 ? -6.167 30.327 -20.249 0.72 47.15 ? 188 A 1 +ATOM 3413 H HZ1 B LYS A 1 198 ? -5.135 31.546 -19.085 0.28 59.49 ? 188 A 1 +ATOM 3414 H HZ2 A LYS A 1 198 ? -7.392 31.093 -20.357 0.72 47.15 ? 188 A 1 +ATOM 3415 H HZ2 B LYS A 1 198 ? -6.369 32.259 -18.826 0.28 59.49 ? 188 A 1 +ATOM 3416 H HZ3 A LYS A 1 198 ? -6.114 31.735 -20.584 0.72 47.15 ? 188 A 1 +ATOM 3417 H HZ3 B LYS A 1 198 ? -6.267 30.849 -18.507 0.28 59.49 ? 188 A 1 +ATOM 3418 N N . GLU A 1 199 ? -11.611 34.737 -19.772 1.0 19.18 ? 189 A 1 +ATOM 3419 C CA . GLU A 1 199 ? -11.983 36.132 -19.699 1.0 19.84 ? 189 A 1 +ATOM 3420 C C . GLU A 1 199 ? -13.281 36.308 -18.911 1.0 23.09 ? 189 A 1 +ATOM 3421 O O . GLU A 1 199 ? -13.453 37.3 -18.203 1.0 24.22 ? 189 A 1 +ATOM 3422 C CB . GLU A 1 199 ? -12.148 36.71 -21.11 1.0 23.41 ? 189 A 1 +ATOM 3423 C CG . GLU A 1 199 ? -12.503 38.166 -21.165 1.0 31.06 ? 189 A 1 +ATOM 3424 C CD . GLU A 1 199 ? -13.012 38.587 -22.532 1.0 62.68 ? 189 A 1 +ATOM 3425 O OE1 . GLU A 1 199 ? -12.983 37.759 -23.471 1.0 56.93 ? 189 A 1 +ATOM 3426 O OE2 . GLU A 1 199 ? -13.464 39.742 -22.659 1.0 93.12 ? 189 A 1 +ATOM 3427 H H . GLU A 1 199 ? -11.573 34.42 -20.571 1.0 23.01 ? 189 A 1 +ATOM 3428 H HA . GLU A 1 199 ? -11.276 36.624 -19.253 1.0 23.81 ? 189 A 1 +ATOM 3429 H HB2 . GLU A 1 199 ? -11.31 36.598 -21.586 1.0 28.09 ? 189 A 1 +ATOM 3430 H HB3 . GLU A 1 199 ? -12.854 36.222 -21.561 1.0 28.09 ? 189 A 1 +ATOM 3431 H HG2 . GLU A 1 199 ? -13.199 38.348 -20.515 1.0 37.28 ? 189 A 1 +ATOM 3432 H HG3 . GLU A 1 199 ? -11.714 38.693 -20.963 1.0 37.28 ? 189 A 1 +ATOM 3433 N N . LEU A 1 200 ? -14.196 35.344 -19.006 1.0 20.31 ? 190 A 1 +ATOM 3434 C CA . LEU A 1 200 ? -15.455 35.392 -18.284 1.0 22.03 ? 190 A 1 +ATOM 3435 C C . LEU A 1 200 ? -15.315 35.022 -16.804 1.0 20.35 ? 190 A 1 +ATOM 3436 O O . LEU A 1 200 ? -16.311 35.096 -16.074 1.0 24.22 ? 190 A 1 +ATOM 3437 C CB . LEU A 1 200 ? -16.474 34.434 -18.942 1.0 20.64 ? 190 A 1 +ATOM 3438 C CG . LEU A 1 200 ? -16.939 34.884 -20.339 1.0 21.97 ? 190 A 1 +ATOM 3439 C CD1 . LEU A 1 200 ? -17.764 33.86 -21.045 1.0 21.03 ? 190 A 1 +ATOM 3440 C CD2 . LEU A 1 200 ? -17.739 36.194 -20.26 1.0 30.45 ? 190 A 1 +ATOM 3441 H H . LEU A 1 200 ? -14.106 34.64 -19.492 1.0 24.37 ? 190 A 1 +ATOM 3442 H HA . LEU A 1 200 ? -15.801 36.297 -18.336 1.0 26.44 ? 190 A 1 +ATOM 3443 H HB2 . LEU A 1 200 ? -16.064 33.559 -19.033 1.0 24.76 ? 190 A 1 +ATOM 3444 H HB3 . LEU A 1 200 ? -17.258 34.375 -18.373 1.0 24.76 ? 190 A 1 +ATOM 3445 H HG . LEU A 1 200 ? -16.131 35.019 -20.859 1.0 26.36 ? 190 A 1 +ATOM 3446 H HD11 . LEU A 1 200 ? -17.996 34.194 -21.925 1.0 25.24 ? 190 A 1 +ATOM 3447 H HD12 . LEU A 1 200 ? -17.251 33.042 -21.126 1.0 25.24 ? 190 A 1 +ATOM 3448 H HD13 . LEU A 1 200 ? -18.571 33.696 -20.531 1.0 25.24 ? 190 A 1 +ATOM 3449 H HD21 . LEU A 1 200 ? -18.118 36.385 -21.132 1.0 36.54 ? 190 A 1 +ATOM 3450 H HD22 . LEU A 1 200 ? -18.448 36.092 -19.606 1.0 36.54 ? 190 A 1 +ATOM 3451 H HD23 . LEU A 1 200 ? -17.143 36.912 -19.993 1.0 36.54 ? 190 A 1 +ATOM 3452 N N . GLY A 1 201 ? -14.153 34.585 -16.387 1.0 19.9 ? 191 A 1 +ATOM 3453 C CA . GLY A 1 201 ? -13.873 34.295 -14.977 1.0 20.89 ? 191 A 1 +ATOM 3454 C C . GLY A 1 201 ? -14.11 32.867 -14.565 1.0 20.83 ? 191 A 1 +ATOM 3455 O O . GLY A 1 201 ? -14.092 32.56 -13.363 1.0 20.68 ? 191 A 1 +ATOM 3456 H H . GLY A 1 201 ? -13.482 34.44 -16.904 1.0 23.88 ? 191 A 1 +ATOM 3457 H HA2 . GLY A 1 201 ? -12.944 34.505 -14.796 1.0 25.06 ? 191 A 1 +ATOM 3458 H HA3 . GLY A 1 201 ? -14.438 34.859 -14.426 1.0 25.06 ? 191 A 1 +ATOM 3459 N N . TYR A 1 202 ? -14.299 31.946 -15.493 1.0 16.84 ? 192 A 1 +ATOM 3460 C CA . TYR A 1 202 ? -14.29 30.552 -15.138 1.0 15.87 ? 192 A 1 +ATOM 3461 C C . TYR A 1 202 ? -12.903 30.117 -14.69 1.0 16.97 ? 192 A 1 +ATOM 3462 O O . TYR A 1 202 ? -11.867 30.58 -15.216 1.0 18.7 ? 192 A 1 +ATOM 3463 C CB . TYR A 1 202 ? -14.621 29.712 -16.377 1.0 17.03 ? 192 A 1 +ATOM 3464 C CG . TYR A 1 202 ? -16.051 29.706 -16.834 1.0 15.56 ? 192 A 1 +ATOM 3465 C CD1 . TYR A 1 202 ? -16.499 30.628 -17.751 1.0 16.17 ? 192 A 1 +ATOM 3466 C CD2 . TYR A 1 202 ? -16.926 28.708 -16.426 1.0 16.42 ? 192 A 1 +ATOM 3467 C CE1 . TYR A 1 202 ? -17.784 30.586 -18.242 1.0 16.09 ? 192 A 1 +ATOM 3468 C CE2 . TYR A 1 202 ? -18.21 28.65 -16.915 1.0 15.89 ? 192 A 1 +ATOM 3469 C CZ . TYR A 1 202 ? -18.618 29.56 -17.839 1.0 15.74 ? 192 A 1 +ATOM 3470 O OH . TYR A 1 202 ? -19.907 29.435 -18.316 1.0 17.34 ? 192 A 1 +ATOM 3471 H H . TYR A 1 202 ? -14.434 32.106 -16.328 1.0 20.2 ? 192 A 1 +ATOM 3472 H HA . TYR A 1 202 ? -14.933 30.406 -14.426 1.0 19.04 ? 192 A 1 +ATOM 3473 H HB2 . TYR A 1 202 ? -14.09 30.048 -17.116 1.0 20.44 ? 192 A 1 +ATOM 3474 H HB3 . TYR A 1 202 ? -14.381 28.792 -16.187 1.0 20.44 ? 192 A 1 +ATOM 3475 H HD1 . TYR A 1 202 ? -15.921 31.294 -18.045 1.0 19.4 ? 192 A 1 +ATOM 3476 H HD2 . TYR A 1 202 ? -16.639 28.069 -15.814 1.0 19.71 ? 192 A 1 +ATOM 3477 H HE1 . TYR A 1 202 ? -18.086 31.236 -18.835 1.0 19.31 ? 192 A 1 +ATOM 3478 H HE2 . TYR A 1 202 ? -18.796 27.993 -16.616 1.0 19.06 ? 192 A 1 +ATOM 3479 H HH . TYR A 1 202 ? -20.074 30.055 -18.857 1.0 20.8 ? 192 A 1 +ATOM 3480 N N . GLU A 1 203 ? -12.854 29.172 -13.749 1.0 16.26 ? 193 A 1 +ATOM 3481 C CA A GLU A 1 203 ? -11.682 28.311 -13.631 0.58 16.3 ? 193 A 1 +ATOM 3482 C CA B GLU A 1 203 ? -11.687 28.307 -13.635 0.42 15.17 ? 193 A 1 +ATOM 3483 C C . GLU A 1 203 ? -11.68 27.407 -14.848 1.0 17.0 ? 193 A 1 +ATOM 3484 O O . GLU A 1 203 ? -12.674 26.711 -15.106 1.0 17.13 ? 193 A 1 +ATOM 3485 C CB A GLU A 1 203 ? -11.721 27.503 -12.334 0.58 16.74 ? 193 A 1 +ATOM 3486 C CB B GLU A 1 203 ? -11.779 27.454 -12.387 0.42 14.42 ? 193 A 1 +ATOM 3487 C CG A GLU A 1 203 ? -11.631 28.418 -11.104 0.58 14.98 ? 193 A 1 +ATOM 3488 C CG B GLU A 1 203 ? -11.183 28.078 -11.18 0.42 39.44 ? 193 A 1 +ATOM 3489 C CD A GLU A 1 203 ? -11.641 27.723 -9.744 0.58 26.4 ? 193 A 1 +ATOM 3490 C CD B GLU A 1 203 ? -11.397 27.181 -10.027 0.42 34.9 ? 193 A 1 +ATOM 3491 O OE1 A GLU A 1 203 ? -11.356 26.503 -9.65 0.58 17.05 ? 193 A 1 +ATOM 3492 O OE1 B GLU A 1 203 ? -12.464 27.327 -9.399 0.42 19.43 ? 193 A 1 +ATOM 3493 O OE2 A GLU A 1 203 ? -11.958 28.444 -8.742 0.58 20.37 ? 193 A 1 +ATOM 3494 O OE2 B GLU A 1 203 ? -10.55 26.267 -9.846 0.42 19.77 ? 193 A 1 +ATOM 3495 H H A GLU A 1 203 ? -13.477 29.014 -13.178 0.58 19.51 ? 193 A 1 +ATOM 3496 H H B GLU A 1 203 ? -13.475 29.017 -13.175 0.42 19.51 ? 193 A 1 +ATOM 3497 H HA A GLU A 1 203 ? -10.865 28.833 -13.596 0.58 19.57 ? 193 A 1 +ATOM 3498 H HA B GLU A 1 203 ? -10.877 28.838 -13.581 0.42 18.2 ? 193 A 1 +ATOM 3499 H HB2 A GLU A 1 203 ? -12.554 27.009 -12.288 0.58 20.08 ? 193 A 1 +ATOM 3500 H HB2 B GLU A 1 203 ? -12.714 27.281 -12.198 0.42 17.3 ? 193 A 1 +ATOM 3501 H HB3 A GLU A 1 203 ? -10.97 26.889 -12.314 0.58 20.08 ? 193 A 1 +ATOM 3502 H HB3 B GLU A 1 203 ? -11.312 26.619 -12.548 0.42 17.3 ? 193 A 1 +ATOM 3503 H HG2 A GLU A 1 203 ? -10.803 28.921 -11.161 0.58 17.97 ? 193 A 1 +ATOM 3504 H HG2 B GLU A 1 203 ? -10.23 28.205 -11.31 0.42 47.33 ? 193 A 1 +ATOM 3505 H HG3 A GLU A 1 203 ? -12.389 29.024 -11.121 0.58 17.97 ? 193 A 1 +ATOM 3506 H HG3 B GLU A 1 203 ? -11.611 28.93 -11.003 0.42 47.33 ? 193 A 1 +ATOM 3507 N N A THR A 1 204 ? -10.603 27.444 -15.618 0.59 14.17 ? 194 A 1 +ATOM 3508 N N B THR A 1 204 ? -10.655 27.525 -15.674 0.41 18.99 ? 194 A 1 +ATOM 3509 C CA A THR A 1 204 ? -10.578 26.886 -16.961 0.59 13.92 ? 194 A 1 +ATOM 3510 C CA B THR A 1 204 ? -10.663 26.835 -16.948 0.41 20.19 ? 194 A 1 +ATOM 3511 C C A THR A 1 204 ? -9.636 25.715 -17.021 0.59 16.15 ? 194 A 1 +ATOM 3512 C C B THR A 1 204 ? -9.679 25.692 -16.961 0.41 13.49 ? 194 A 1 +ATOM 3513 O O A THR A 1 204 ? -8.471 25.809 -16.598 0.59 16.86 ? 194 A 1 +ATOM 3514 O O B THR A 1 204 ? -8.537 25.796 -16.479 0.41 15.24 ? 194 A 1 +ATOM 3515 C CB A THR A 1 204 ? -10.168 27.981 -17.935 0.59 14.37 ? 194 A 1 +ATOM 3516 C CB B THR A 1 204 ? -10.402 27.76 -18.123 0.41 18.49 ? 194 A 1 +ATOM 3517 O OG1 A THR A 1 204 ? -11.071 29.094 -17.79 0.59 21.25 ? 194 A 1 +ATOM 3518 O OG1 B THR A 1 204 ? -9.054 28.211 -18.086 0.41 17.55 ? 194 A 1 +ATOM 3519 C CG2 A THR A 1 204 ? -10.262 27.535 -19.373 0.59 18.06 ? 194 A 1 +ATOM 3520 C CG2 B THR A 1 204 ? -11.353 28.933 -18.065 0.41 14.79 ? 194 A 1 +ATOM 3521 H H A THR A 1 204 ? -9.856 27.796 -15.378 0.59 17.01 ? 194 A 1 +ATOM 3522 H H B THR A 1 204 ? -9.952 27.995 -15.519 0.41 22.79 ? 194 A 1 +ATOM 3523 H HA A THR A 1 204 ? -11.45 26.543 -17.211 0.59 16.71 ? 194 A 1 +ATOM 3524 H HA B THR A 1 204 ? -11.551 26.463 -17.065 0.41 24.22 ? 194 A 1 +ATOM 3525 H HB A THR A 1 204 ? -9.248 28.222 -17.742 0.59 17.24 ? 194 A 1 +ATOM 3526 H HB B THR A 1 204 ? -10.545 27.292 -18.961 0.41 22.18 ? 194 A 1 +ATOM 3527 H HG1 A THR A 1 204 ? -10.833 29.724 -18.292 0.59 25.5 ? 194 A 1 +ATOM 3528 H HG1 B THR A 1 204 ? -8.91 28.737 -18.724 0.41 21.06 ? 194 A 1 +ATOM 3529 H HG21 A THR A 1 204 ? -10.551 28.274 -19.931 0.59 21.68 ? 194 A 1 +ATOM 3530 H HG21 B THR A 1 204 ? -11.308 29.438 -18.893 0.41 17.75 ? 194 A 1 +ATOM 3531 H HG22 A THR A 1 204 ? -9.396 27.227 -19.682 0.59 21.68 ? 194 A 1 +ATOM 3532 H HG22 B THR A 1 204 ? -12.261 28.619 -17.937 0.41 17.75 ? 194 A 1 +ATOM 3533 H HG23 A THR A 1 204 ? -10.902 26.81 -19.454 0.59 21.68 ? 194 A 1 +ATOM 3534 H HG23 B THR A 1 204 ? -11.115 29.517 -17.328 0.41 17.75 ? 194 A 1 +ATOM 3535 N N . GLY A 1 205 ? -10.13 24.606 -17.559 1.0 13.93 ? 195 A 1 +ATOM 3536 C CA . GLY A 1 205 ? -9.357 23.407 -17.717 1.0 13.8 ? 195 A 1 +ATOM 3537 C C . GLY A 1 205 ? -9.048 23.05 -19.148 1.0 13.04 ? 195 A 1 +ATOM 3538 O O . GLY A 1 205 ? -9.973 23.042 -19.993 1.0 13.89 ? 195 A 1 +ATOM 3539 H H A GLY A 1 205 ? -10.938 24.532 -17.845 0.59 16.72 ? 195 A 1 +ATOM 3540 H H B GLY A 1 205 ? -10.919 24.541 -17.895 0.41 16.72 ? 195 A 1 +ATOM 3541 H HA2 . GLY A 1 205 ? -8.514 23.514 -17.249 1.0 16.55 ? 195 A 1 +ATOM 3542 H HA3 . GLY A 1 205 ? -9.844 22.666 -17.324 1.0 16.55 ? 195 A 1 +ATOM 3543 N N . ALA A 1 206 ? -7.806 22.718 -19.44 1.0 13.08 ? 196 A 1 +ATOM 3544 C CA . ALA A 1 206 ? -7.401 22.198 -20.733 1.0 12.71 ? 196 A 1 +ATOM 3545 C C . ALA A 1 206 ? -6.81 20.819 -20.532 1.0 13.44 ? 196 A 1 +ATOM 3546 O O . ALA A 1 206 ? -7.172 20.154 -19.558 1.0 13.34 ? 196 A 1 +ATOM 3547 C CB . ALA A 1 206 ? -6.451 23.179 -21.436 1.0 15.34 ? 196 A 1 +ATOM 3548 H H . ALA A 1 206 ? -7.152 22.785 -18.886 1.0 15.69 ? 196 A 1 +ATOM 3549 H HA . ALA A 1 206 ? -8.156 22.107 -21.336 1.0 15.25 ? 196 A 1 +ATOM 3550 H HB1 . ALA A 1 206 ? -6.247 22.841 -22.322 1.0 18.41 ? 196 A 1 +ATOM 3551 H HB2 . ALA A 1 206 ? -6.884 24.045 -21.503 1.0 18.41 ? 196 A 1 +ATOM 3552 H HB3 . ALA A 1 206 ? -5.636 23.256 -20.916 1.0 18.41 ? 196 A 1 +ATOM 3553 N N . GLY A 1 207 ? -5.891 20.363 -21.401 1.0 13.18 ? 197 A 1 +ATOM 3554 C CA . GLY A 1 207 ? -5.284 19.054 -21.279 1.0 13.84 ? 197 A 1 +ATOM 3555 C C . GLY A 1 207 ? -5.395 18.274 -22.563 1.0 13.37 ? 197 A 1 +ATOM 3556 O O . GLY A 1 207 ? -6.34 18.419 -23.315 1.0 15.46 ? 197 A 1 +ATOM 3557 H H . GLY A 1 207 ? -5.606 20.811 -22.077 1.0 15.81 ? 197 A 1 +ATOM 3558 H HA2 . GLY A 1 207 ? -4.344 19.151 -21.056 1.0 16.61 ? 197 A 1 +ATOM 3559 H HA3 . GLY A 1 207 ? -5.725 18.555 -20.574 1.0 16.61 ? 197 A 1 +ATOM 3560 N N . SER A 1 208 ? -4.47 17.379 -22.75 1.0 15.08 ? 198 A 1 +ATOM 3561 C CA . SER A 1 208 ? -4.345 16.634 -24.009 1.0 16.12 ? 198 A 1 +ATOM 3562 C C . SER A 1 208 ? -4.596 15.147 -23.81 1.0 13.43 ? 198 A 1 +ATOM 3563 O O . SER A 1 208 ? -4.648 14.602 -22.686 1.0 15.02 ? 198 A 1 +ATOM 3564 C CB . SER A 1 208 ? -2.972 16.891 -24.642 1.0 18.92 ? 198 A 1 +ATOM 3565 O OG . SER A 1 208 ? -1.98 16.674 -23.62 1.0 21.07 ? 198 A 1 +ATOM 3566 H H . SER A 1 208 ? -3.88 17.167 -22.161 1.0 18.09 ? 198 A 1 +ATOM 3567 H HA . SER A 1 208 ? -5.032 16.937 -24.623 1.0 19.34 ? 198 A 1 +ATOM 3568 H HB2 . SER A 1 208 ? -2.827 16.274 -25.377 1.0 22.7 ? 198 A 1 +ATOM 3569 H HB3 . SER A 1 208 ? -2.922 17.805 -24.962 1.0 22.7 ? 198 A 1 +ATOM 3570 H HG . SER A 1 208 ? -2.013 15.879 -23.351 1.0 25.29 ? 198 A 1 +ATOM 3571 N N . MET A 1 209 ? -4.717 14.464 -24.941 1.0 13.63 ? 199 A 1 +ATOM 3572 C CA . MET A 1 209 ? -4.597 13.01 -24.998 1.0 14.49 ? 199 A 1 +ATOM 3573 C C . MET A 1 209 ? -3.187 12.678 -25.402 1.0 14.29 ? 199 A 1 +ATOM 3574 O O . MET A 1 209 ? -2.531 13.449 -26.136 1.0 15.85 ? 199 A 1 +ATOM 3575 C CB . MET A 1 209 ? -5.598 12.377 -25.989 1.0 16.11 ? 199 A 1 +ATOM 3576 C CG . MET A 1 209 ? -7.013 12.374 -25.503 1.0 15.5 ? 199 A 1 +ATOM 3577 S SD . MET A 1 209 ? -8.188 11.771 -26.729 1.0 17.22 ? 199 A 1 +ATOM 3578 C CE . MET A 1 209 ? -8.315 13.214 -27.726 1.0 17.48 ? 199 A 1 +ATOM 3579 H H . MET A 1 209 ? -4.872 14.827 -25.705 1.0 16.36 ? 199 A 1 +ATOM 3580 H HA . MET A 1 209 ? -4.807 12.629 -24.131 1.0 17.39 ? 199 A 1 +ATOM 3581 H HB2 . MET A 1 209 ? -5.571 12.877 -26.82 1.0 19.34 ? 199 A 1 +ATOM 3582 H HB3 . MET A 1 209 ? -5.338 11.456 -26.148 1.0 19.34 ? 199 A 1 +ATOM 3583 H HG2 . MET A 1 209 ? -7.076 11.8 -24.723 1.0 18.61 ? 199 A 1 +ATOM 3584 H HG3 . MET A 1 209 ? -7.266 13.28 -25.269 1.0 18.61 ? 199 A 1 +ATOM 3585 H HE1 . MET A 1 209 ? -8.875 13.018 -28.494 1.0 20.98 ? 199 A 1 +ATOM 3586 H HE2 . MET A 1 209 ? -8.711 13.927 -27.201 1.0 20.98 ? 199 A 1 +ATOM 3587 H HE3 . MET A 1 209 ? -7.429 13.473 -28.021 1.0 20.98 ? 199 A 1 +ATOM 3588 N N . VAL A 1 210 ? -2.674 11.574 -24.884 1.0 13.42 ? 200 A 1 +ATOM 3589 C CA . VAL A 1 210 ? -1.325 11.098 -25.158 1.0 13.8 ? 200 A 1 +ATOM 3590 C C . VAL A 1 210 ? -1.39 9.827 -25.962 1.0 14.42 ? 200 A 1 +ATOM 3591 O O . VAL A 1 210 ? -2.121 8.9 -25.63 1.0 15.0 ? 200 A 1 +ATOM 3592 C CB . VAL A 1 210 ? -0.574 10.874 -23.829 1.0 14.42 ? 200 A 1 +ATOM 3593 C CG1 . VAL A 1 210 ? 0.78 10.27 -24.078 1.0 17.25 ? 200 A 1 +ATOM 3594 C CG2 . VAL A 1 210 ? -0.532 12.124 -23.063 1.0 15.93 ? 200 A 1 +ATOM 3595 H H . VAL A 1 210 ? -3.106 11.059 -24.347 1.0 16.11 ? 200 A 1 +ATOM 3596 H HA . VAL A 1 210 ? -0.852 11.749 -25.7 1.0 16.56 ? 200 A 1 +ATOM 3597 H HB . VAL A 1 210 ? -1.048 10.231 -23.279 1.0 17.3 ? 200 A 1 +ATOM 3598 H HG11 . VAL A 1 210 ? 1.324 10.375 -23.282 1.0 20.7 ? 200 A 1 +ATOM 3599 H HG12 . VAL A 1 210 ? 0.673 9.327 -24.282 1.0 20.7 ? 200 A 1 +ATOM 3600 H HG13 . VAL A 1 210 ? 1.197 10.725 -24.826 1.0 20.7 ? 200 A 1 +ATOM 3601 H HG21 . VAL A 1 210 ? 0.012 11.991 -22.271 1.0 19.11 ? 200 A 1 +ATOM 3602 H HG22 . VAL A 1 210 ? -0.145 12.821 -23.616 1.0 19.11 ? 200 A 1 +ATOM 3603 H HG23 . VAL A 1 210 ? -1.435 12.368 -22.807 1.0 19.11 ? 200 A 1 +ATOM 3604 N N . GLY A 1 211 ? -0.669 9.813 -27.082 1.0 15.39 ? 201 A 1 +ATOM 3605 C CA . GLY A 1 211 ? -0.647 8.658 -27.962 1.0 15.42 ? 201 A 1 +ATOM 3606 C C . GLY A 1 211 ? -1.602 8.718 -29.106 1.0 15.63 ? 201 A 1 +ATOM 3607 O O . GLY A 1 211 ? -1.87 7.683 -29.719 1.0 16.86 ? 201 A 1 +ATOM 3608 H H . GLY A 1 211 ? -0.181 10.467 -27.352 1.0 18.46 ? 201 A 1 +ATOM 3609 H HA2 . GLY A 1 211 ? 0.246 8.564 -28.327 1.0 18.51 ? 201 A 1 +ATOM 3610 H HA3 . GLY A 1 211 ? -0.86 7.868 -27.441 1.0 18.51 ? 201 A 1 +ATOM 3611 N N . LEU A 1 212 ? -2.085 9.891 -29.454 1.0 15.86 ? 202 A 1 +ATOM 3612 C CA . LEU A 1 212 ? -2.93 10.023 -30.638 1.0 15.93 ? 202 A 1 +ATOM 3613 C C . LEU A 1 212 ? -2.153 9.617 -31.875 1.0 17.2 ? 202 A 1 +ATOM 3614 O O . LEU A 1 212 ? -0.945 9.792 -31.952 1.0 17.52 ? 202 A 1 +ATOM 3615 C CB . LEU A 1 212 ? -3.433 11.467 -30.789 1.0 16.81 ? 202 A 1 +ATOM 3616 C CG . LEU A 1 212 ? -4.432 11.918 -29.735 1.0 15.41 ? 202 A 1 +ATOM 3617 C CD1 . LEU A 1 212 ? -4.528 13.427 -29.764 1.0 16.92 ? 202 A 1 +ATOM 3618 C CD2 . LEU A 1 212 ? -5.746 11.317 -30.009 1.0 17.18 ? 202 A 1 +ATOM 3619 H H . LEU A 1 212 ? -1.945 10.626 -29.03 1.0 19.04 ? 202 A 1 +ATOM 3620 H HA . LEU A 1 212 ? -3.703 9.443 -30.549 1.0 19.11 ? 202 A 1 +ATOM 3621 H HB2 . LEU A 1 212 ? -2.669 12.063 -30.74 1.0 20.18 ? 202 A 1 +ATOM 3622 H HB3 . LEU A 1 212 ? -3.864 11.551 -31.654 1.0 20.18 ? 202 A 1 +ATOM 3623 H HG . LEU A 1 212 ? -4.146 11.636 -28.852 1.0 18.5 ? 202 A 1 +ATOM 3624 H HD11 . LEU A 1 212 ? -5.166 13.715 -29.092 1.0 20.31 ? 202 A 1 +ATOM 3625 H HD12 . LEU A 1 212 ? -3.654 13.802 -29.573 1.0 20.31 ? 202 A 1 +ATOM 3626 H HD13 . LEU A 1 212 ? -4.824 13.707 -30.644 1.0 20.31 ? 202 A 1 +ATOM 3627 H HD21 . LEU A 1 212 ? -6.384 11.642 -29.355 1.0 20.61 ? 202 A 1 +ATOM 3628 H HD22 . LEU A 1 212 ? -6.028 11.57 -30.902 1.0 20.61 ? 202 A 1 +ATOM 3629 H HD23 . LEU A 1 212 ? -5.671 10.352 -29.947 1.0 20.61 ? 202 A 1 +ATOM 3630 N N . PRO A 1 213 ? -2.842 9.103 -32.895 1.0 18.01 ? 203 A 1 +ATOM 3631 C CA . PRO A 1 213 ? -2.145 8.763 -34.147 1.0 18.71 ? 203 A 1 +ATOM 3632 C C . PRO A 1 213 ? -1.521 10.012 -34.762 1.0 19.41 ? 203 A 1 +ATOM 3633 O O . PRO A 1 213 ? -2.157 11.078 -34.766 1.0 24.53 ? 203 A 1 +ATOM 3634 C CB . PRO A 1 213 ? -3.265 8.22 -35.043 1.0 23.31 ? 203 A 1 +ATOM 3635 C CG . PRO A 1 213 ? -4.389 8.13 -34.291 1.0 24.34 ? 203 A 1 +ATOM 3636 C CD . PRO A 1 213 ? -4.27 8.833 -32.964 1.0 20.27 ? 203 A 1 +ATOM 3637 H HA . PRO A 1 213 ? -1.474 8.079 -33.997 1.0 22.45 ? 203 A 1 +ATOM 3638 H HB2 . PRO A 1 213 ? -3.403 8.829 -35.785 1.0 27.98 ? 203 A 1 +ATOM 3639 H HB3 . PRO A 1 213 ? -3.01 7.345 -35.375 1.0 27.98 ? 203 A 1 +ATOM 3640 H HG2 . PRO A 1 213 ? -5.116 8.527 -34.796 1.0 29.21 ? 203 A 1 +ATOM 3641 H HG3 . PRO A 1 213 ? -4.568 7.189 -34.136 1.0 29.21 ? 203 A 1 +ATOM 3642 H HD2 . PRO A 1 213 ? -4.783 9.656 -32.957 1.0 24.33 ? 203 A 1 +ATOM 3643 H HD3 . PRO A 1 213 ? -4.554 8.258 -32.236 1.0 24.33 ? 203 A 1 +ATOM 3644 N N . GLY A 1 214 ? -0.286 9.899 -35.145 1.0 21.5 ? 204 A 1 +ATOM 3645 C CA . GLY A 1 214 ? 0.464 10.995 -35.737 1.0 24.62 ? 204 A 1 +ATOM 3646 C C . GLY A 1 214 ? 1.11 11.939 -34.735 1.0 25.01 ? 204 A 1 +ATOM 3647 O O . GLY A 1 214 ? 1.816 12.865 -35.141 1.0 28.2 ? 204 A 1 +ATOM 3648 H H . GLY A 1 214 ? 0.171 9.174 -35.075 1.0 25.8 ? 204 A 1 +ATOM 3649 H HA2 . GLY A 1 214 ? 1.168 10.626 -36.293 1.0 29.54 ? 204 A 1 +ATOM 3650 H HA3 . GLY A 1 214 ? -0.136 11.518 -36.293 1.0 29.54 ? 204 A 1 +ATOM 3651 N N . GLN A 1 215 ? 0.916 11.741 -33.437 1.0 19.85 ? 205 A 1 +ATOM 3652 C CA . GLN A 1 215 ? 1.454 12.626 -32.436 1.0 21.81 ? 205 A 1 +ATOM 3653 C C . GLN A 1 215 ? 2.831 12.117 -32.048 1.0 19.64 ? 205 A 1 +ATOM 3654 O O . GLN A 1 215 ? 3.017 10.922 -31.807 1.0 23.67 ? 205 A 1 +ATOM 3655 C CB . GLN A 1 215 ? 0.516 12.546 -31.242 1.0 19.04 ? 205 A 1 +ATOM 3656 C CG . GLN A 1 215 ? 0.821 13.484 -30.093 1.0 17.29 ? 205 A 1 +ATOM 3657 C CD . GLN A 1 215 ? -0.148 13.252 -28.966 1.0 17.7 ? 205 A 1 +ATOM 3658 O OE1 . GLN A 1 215 ? -0.28 12.107 -28.552 1.0 19.51 ? 205 A 1 +ATOM 3659 N NE2 . GLN A 1 215 ? -0.811 14.267 -28.518 1.0 16.52 ? 205 A 1 +ATOM 3660 H H . GLN A 1 215 ? 0.465 11.085 -33.112 1.0 23.82 ? 205 A 1 +ATOM 3661 H HA . GLN A 1 215 ? 1.539 13.543 -32.739 1.0 26.17 ? 205 A 1 +ATOM 3662 H HB2 . GLN A 1 215 ? -0.381 12.749 -31.547 1.0 22.85 ? 205 A 1 +ATOM 3663 H HB3 . GLN A 1 215 ? 0.55 11.642 -30.89 1.0 22.85 ? 205 A 1 +ATOM 3664 H HG2 . GLN A 1 215 ? 1.72 13.321 -29.769 1.0 20.75 ? 205 A 1 +ATOM 3665 H HG3 . GLN A 1 215 ? 0.736 14.403 -30.391 1.0 20.75 ? 205 A 1 +ATOM 3666 H HE21 . GLN A 1 215 ? -0.692 15.046 -28.864 1.0 19.83 ? 205 A 1 +ATOM 3667 H HE22 . GLN A 1 215 ? -1.372 14.164 -27.874 1.0 19.83 ? 205 A 1 +ATOM 3668 N N . THR A 1 216 ? 3.796 13.019 -31.926 1.0 17.89 ? 206 A 1 +ATOM 3669 C CA . THR A 1 216 ? 5.172 12.704 -31.564 1.0 19.41 ? 206 A 1 +ATOM 3670 C C . THR A 1 216 ? 5.558 13.291 -30.207 1.0 18.6 ? 206 A 1 +ATOM 3671 O O . THR A 1 216 ? 4.801 14.067 -29.57 1.0 17.52 ? 206 A 1 +ATOM 3672 C CB . THR A 1 216 ? 6.152 13.315 -32.597 1.0 19.84 ? 206 A 1 +ATOM 3673 O OG1 . THR A 1 216 ? 6.036 14.73 -32.489 1.0 21.87 ? 206 A 1 +ATOM 3674 C CG2 . THR A 1 216 ? 5.783 12.888 -33.999 1.0 23.91 ? 206 A 1 +ATOM 3675 H H . THR A 1 216 ? 3.673 13.861 -32.054 1.0 21.47 ? 206 A 1 +ATOM 3676 H HA . THR A 1 216 ? 5.239 11.737 -31.529 1.0 23.29 ? 206 A 1 +ATOM 3677 H HB . THR A 1 216 ? 7.062 13.021 -32.432 1.0 23.81 ? 206 A 1 +ATOM 3678 H HG1 . THR A 1 216 ? 6.552 15.103 -33.037 1.0 26.25 ? 206 A 1 +ATOM 3679 H HG21 . THR A 1 216 ? 6.458 13.191 -34.626 1.0 28.7 ? 206 A 1 +ATOM 3680 H HG22 . THR A 1 216 ? 5.722 11.921 -34.046 1.0 28.7 ? 206 A 1 +ATOM 3681 H HG23 . THR A 1 216 ? 4.928 13.271 -34.248 1.0 28.7 ? 206 A 1 +ATOM 3682 N N . ILE A 1 217 ? 6.769 12.948 -29.753 1.0 20.29 ? 207 A 1 +ATOM 3683 C CA . ILE A 1 217 ? 7.247 13.531 -28.511 1.0 18.86 ? 207 A 1 +ATOM 3684 C C . ILE A 1 217 ? 7.343 15.026 -28.63 1.0 18.74 ? 207 A 1 +ATOM 3685 O O . ILE A 1 217 ? 7.032 15.75 -27.686 1.0 17.73 ? 207 A 1 +ATOM 3686 C CB . ILE A 1 217 ? 8.599 12.917 -28.079 1.0 22.03 ? 207 A 1 +ATOM 3687 C CG1 . ILE A 1 217 ? 8.438 11.431 -27.837 1.0 28.02 ? 207 A 1 +ATOM 3688 C CG2 . ILE A 1 217 ? 9.187 13.653 -26.906 1.0 22.21 ? 207 A 1 +ATOM 3689 C CD1 . ILE A 1 217 ? 7.691 11.12 -26.603 1.0 31.06 ? 207 A 1 +ATOM 3690 H H . ILE A 1 217 ? 7.309 12.399 -30.136 1.0 24.34 ? 207 A 1 +ATOM 3691 H HA . ILE A 1 217 ? 6.597 13.318 -27.823 1.0 22.63 ? 207 A 1 +ATOM 3692 H HB . ILE A 1 217 ? 9.238 13.021 -28.801 1.0 26.43 ? 207 A 1 +ATOM 3693 H HG12 . ILE A 1 217 ? 7.957 11.042 -28.584 1.0 33.62 ? 207 A 1 +ATOM 3694 H HG13 . ILE A 1 217 ? 9.317 11.028 -27.763 1.0 33.62 ? 207 A 1 +ATOM 3695 H HG21 . ILE A 1 217 ? 9.891 13.112 -26.514 1.0 26.65 ? 207 A 1 +ATOM 3696 H HG22 . ILE A 1 217 ? 9.551 14.498 -27.213 1.0 26.65 ? 207 A 1 +ATOM 3697 H HG23 . ILE A 1 217 ? 8.489 13.812 -26.251 1.0 26.65 ? 207 A 1 +ATOM 3698 H HD11 . ILE A 1 217 ? 7.591 10.158 -26.529 1.0 37.27 ? 207 A 1 +ATOM 3699 H HD12 . ILE A 1 217 ? 8.184 11.462 -25.841 1.0 37.27 ? 207 A 1 +ATOM 3700 H HD13 . ILE A 1 217 ? 6.818 11.541 -26.648 1.0 37.27 ? 207 A 1 +ATOM 3701 N N . ASP A 1 218 ? 7.74 15.539 -29.798 1.0 18.49 ? 208 A 1 +ATOM 3702 C CA . ASP A 1 218 ? 7.784 16.984 -29.94 1.0 18.79 ? 208 A 1 +ATOM 3703 C C . ASP A 1 218 ? 6.399 17.609 -29.778 1.0 17.21 ? 208 A 1 +ATOM 3704 O O . ASP A 1 218 ? 6.275 18.715 -29.218 1.0 17.07 ? 208 A 1 +ATOM 3705 C CB . ASP A 1 218 ? 8.322 17.379 -31.336 1.0 20.3 ? 208 A 1 +ATOM 3706 C CG . ASP A 1 218 ? 9.781 17.134 -31.495 1.0 31.72 ? 208 A 1 +ATOM 3707 O OD1 . ASP A 1 218 ? 10.521 17.373 -30.557 1.0 31.36 ? 208 A 1 +ATOM 3708 O OD2 . ASP A 1 218 ? 10.193 16.743 -32.611 1.0 47.86 ? 208 A 1 +ATOM 3709 H H . ASP A 1 218 ? 7.977 15.087 -30.49 1.0 22.19 ? 208 A 1 +ATOM 3710 H HA . ASP A 1 218 ? 8.382 17.326 -29.258 1.0 22.55 ? 208 A 1 +ATOM 3711 H HB2 . ASP A 1 218 ? 7.857 16.858 -32.01 1.0 24.36 ? 208 A 1 +ATOM 3712 H HB3 . ASP A 1 218 ? 8.161 18.325 -31.479 1.0 24.36 ? 208 A 1 +ATOM 3713 N N . ASP A 1 219 ? 5.351 16.922 -30.217 1.0 15.88 ? 209 A 1 +ATOM 3714 C CA . ASP A 1 219 ? 4.009 17.43 -30.007 1.0 16.11 ? 209 A 1 +ATOM 3715 C C . ASP A 1 219 ? 3.649 17.44 -28.53 1.0 15.88 ? 209 A 1 +ATOM 3716 O O . ASP A 1 219 ? 3.008 18.377 -28.061 1.0 15.52 ? 209 A 1 +ATOM 3717 C CB . ASP A 1 219 ? 2.988 16.569 -30.727 1.0 17.01 ? 209 A 1 +ATOM 3718 C CG . ASP A 1 219 ? 3.073 16.668 -32.248 1.0 18.02 ? 209 A 1 +ATOM 3719 O OD1 . ASP A 1 219 ? 3.235 17.797 -32.796 1.0 18.82 ? 209 A 1 +ATOM 3720 O OD2 . ASP A 1 219 ? 2.942 15.597 -32.893 1.0 20.38 ? 209 A 1 +ATOM 3721 H H . ASP A 1 219 ? 5.391 16.17 -30.632 1.0 19.05 ? 209 A 1 +ATOM 3722 H HA . ASP A 1 219 ? 3.981 18.331 -30.366 1.0 19.33 ? 209 A 1 +ATOM 3723 H HB2 . ASP A 1 219 ? 3.131 15.642 -30.481 1.0 20.41 ? 209 A 1 +ATOM 3724 H HB3 . ASP A 1 219 ? 2.098 16.849 -30.461 1.0 20.41 ? 209 A 1 +ATOM 3725 N N . LEU A 1 220 ? 4.067 16.413 -27.767 1.0 14.86 ? 210 A 1 +ATOM 3726 C CA . LEU A 1 220 ? 3.791 16.378 -26.327 1.0 14.57 ? 210 A 1 +ATOM 3727 C C . LEU A 1 220 ? 4.491 17.523 -25.622 1.0 15.85 ? 210 A 1 +ATOM 3728 O O . LEU A 1 220 ? 3.938 18.126 -24.712 1.0 15.36 ? 210 A 1 +ATOM 3729 C CB . LEU A 1 220 ? 4.256 15.056 -25.735 1.0 16.21 ? 210 A 1 +ATOM 3730 C CG . LEU A 1 220 ? 3.616 13.771 -26.256 1.0 25.88 ? 210 A 1 +ATOM 3731 C CD1 . LEU A 1 220 ? 4.03 12.634 -25.333 1.0 24.9 ? 210 A 1 +ATOM 3732 C CD2 . LEU A 1 220 ? 2.175 13.803 -26.438 1.0 29.39 ? 210 A 1 +ATOM 3733 H H . LEU A 1 220 ? 4.507 15.734 -28.059 1.0 17.83 ? 210 A 1 +ATOM 3734 H HA . LEU A 1 220 ? 2.834 16.457 -26.19 1.0 17.49 ? 210 A 1 +ATOM 3735 H HB2 . LEU A 1 220 ? 5.209 14.979 -25.899 1.0 19.45 ? 210 A 1 +ATOM 3736 H HB3 . LEU A 1 220 ? 4.085 15.084 -24.78 1.0 19.45 ? 210 A 1 +ATOM 3737 H HG . LEU A 1 220 ? 3.941 13.634 -27.159 1.0 31.05 ? 210 A 1 +ATOM 3738 H HD11 . LEU A 1 220 ? 3.618 11.812 -25.641 1.0 29.88 ? 210 A 1 +ATOM 3739 H HD12 . LEU A 1 220 ? 4.996 12.548 -25.352 1.0 29.88 ? 210 A 1 +ATOM 3740 H HD13 . LEU A 1 220 ? 3.734 12.835 -24.431 1.0 29.88 ? 210 A 1 +ATOM 3741 H HD21 . LEU A 1 220 ? 1.878 12.937 -26.759 1.0 35.27 ? 210 A 1 +ATOM 3742 H HD22 . LEU A 1 220 ? 1.753 14.003 -25.588 1.0 35.27 ? 210 A 1 +ATOM 3743 H HD23 . LEU A 1 220 ? 1.954 14.489 -27.087 1.0 35.27 ? 210 A 1 +ATOM 3744 N N . VAL A 1 221 ? 5.715 17.857 -26.049 1.0 15.18 ? 211 A 1 +ATOM 3745 C CA . VAL A 1 221 ? 6.401 19.006 -25.5 1.0 15.63 ? 211 A 1 +ATOM 3746 C C . VAL A 1 221 ? 5.625 20.286 -25.784 1.0 15.36 ? 211 A 1 +ATOM 3747 O O . VAL A 1 221 ? 5.474 21.155 -24.909 1.0 16.51 ? 211 A 1 +ATOM 3748 C CB . VAL A 1 221 ? 7.838 19.099 -26.046 1.0 18.02 ? 211 A 1 +ATOM 3749 C CG1 . VAL A 1 221 ? 8.46 20.404 -25.59 1.0 19.99 ? 211 A 1 +ATOM 3750 C CG2 . VAL A 1 221 ? 8.652 17.896 -25.589 1.0 18.07 ? 211 A 1 +ATOM 3751 H H . VAL A 1 221 ? 6.158 17.431 -26.651 1.0 18.22 ? 211 A 1 +ATOM 3752 H HA . VAL A 1 221 ? 6.45 18.887 -24.539 1.0 18.75 ? 211 A 1 +ATOM 3753 H HB . VAL A 1 221 ? 7.834 19.089 -27.016 1.0 21.62 ? 211 A 1 +ATOM 3754 H HG11 . VAL A 1 221 ? 9.426 20.329 -25.64 1.0 23.99 ? 211 A 1 +ATOM 3755 H HG12 . VAL A 1 221 ? 8.153 21.119 -26.169 1.0 23.99 ? 211 A 1 +ATOM 3756 H HG13 . VAL A 1 221 ? 8.189 20.581 -24.675 1.0 23.99 ? 211 A 1 +ATOM 3757 H HG21 . VAL A 1 221 ? 9.558 17.981 -25.926 1.0 21.69 ? 211 A 1 +ATOM 3758 H HG22 . VAL A 1 221 ? 8.661 17.87 -24.619 1.0 21.69 ? 211 A 1 +ATOM 3759 H HG23 . VAL A 1 221 ? 8.244 17.088 -25.938 1.0 21.69 ? 211 A 1 +ATOM 3760 N N . ASP A 1 222 ? 5.091 20.428 -27.008 1.0 15.65 ? 212 A 1 +ATOM 3761 C CA . ASP A 1 222 ? 4.291 21.593 -27.323 1.0 15.52 ? 212 A 1 +ATOM 3762 C C . ASP A 1 222 ? 3.033 21.633 -26.432 1.0 14.99 ? 212 A 1 +ATOM 3763 O O . ASP A 1 222 ? 2.587 22.733 -26.065 1.0 15.71 ? 212 A 1 +ATOM 3764 C CB . ASP A 1 222 ? 3.887 21.535 -28.81 1.0 15.72 ? 212 A 1 +ATOM 3765 C CG . ASP A 1 222 ? 4.976 21.954 -29.763 1.0 19.01 ? 212 A 1 +ATOM 3766 O OD1 . ASP A 1 222 ? 5.881 22.699 -29.347 1.0 21.66 ? 212 A 1 +ATOM 3767 O OD2 . ASP A 1 222 ? 4.874 21.561 -30.959 1.0 19.04 ? 212 A 1 +ATOM 3768 H H . ASP A 1 222 ? 5.183 19.869 -27.655 1.0 18.78 ? 212 A 1 +ATOM 3769 H HA . ASP A 1 222 ? 4.804 22.402 -27.17 1.0 18.63 ? 212 A 1 +ATOM 3770 H HB2 . ASP A 1 222 ? 3.64 20.624 -29.029 1.0 18.86 ? 212 A 1 +ATOM 3771 H HB3 . ASP A 1 222 ? 3.131 22.127 -28.949 1.0 18.86 ? 212 A 1 +ATOM 3772 N N . ASP A 1 223 ? 2.41 20.484 -26.148 1.0 15.39 ? 213 A 1 +ATOM 3773 C CA . ASP A 1 223 ? 1.277 20.448 -25.201 1.0 14.05 ? 213 A 1 +ATOM 3774 C C . ASP A 1 223 ? 1.682 20.997 -23.837 1.0 15.22 ? 213 A 1 +ATOM 3775 O O . ASP A 1 223 ? 0.98 21.832 -23.271 1.0 15.47 ? 213 A 1 +ATOM 3776 C CB . ASP A 1 223 ? 0.745 19.03 -25.051 1.0 14.44 ? 213 A 1 +ATOM 3777 C CG . ASP A 1 223 ? -0.07 18.544 -26.238 1.0 15.38 ? 213 A 1 +ATOM 3778 O OD1 . ASP A 1 223 ? -0.875 19.341 -26.781 1.0 15.21 ? 213 A 1 +ATOM 3779 O OD2 . ASP A 1 223 ? 0.103 17.334 -26.595 1.0 16.66 ? 213 A 1 +ATOM 3780 H H . ASP A 1 223 ? 2.617 19.719 -26.482 1.0 18.47 ? 213 A 1 +ATOM 3781 H HA . ASP A 1 223 ? 0.567 21.001 -25.563 1.0 16.86 ? 213 A 1 +ATOM 3782 H HB2 . ASP A 1 223 ? 1.496 18.426 -24.942 1.0 17.33 ? 213 A 1 +ATOM 3783 H HB3 . ASP A 1 223 ? 0.174 18.994 -24.267 1.0 17.33 ? 213 A 1 +ATOM 3784 N N . LEU A 1 224 ? 2.829 20.544 -23.318 1.0 15.0 ? 214 A 1 +ATOM 3785 C CA . LEU A 1 224 ? 3.287 21.019 -22.007 1.0 14.61 ? 214 A 1 +ATOM 3786 C C . LEU A 1 224 ? 3.508 22.518 -22.036 1.0 16.15 ? 214 A 1 +ATOM 3787 O O . LEU A 1 224 ? 3.131 23.231 -21.104 1.0 16.08 ? 214 A 1 +ATOM 3788 C CB . LEU A 1 224 ? 4.57 20.315 -21.589 1.0 16.27 ? 214 A 1 +ATOM 3789 C CG . LEU A 1 224 ? 4.415 18.836 -21.284 1.0 15.0 ? 214 A 1 +ATOM 3790 C CD1 . LEU A 1 224 ? 5.812 18.257 -21.004 1.0 17.45 ? 214 A 1 +ATOM 3791 C CD2 . LEU A 1 224 ? 3.477 18.615 -20.072 1.0 16.27 ? 214 A 1 +ATOM 3792 H H . LEU A 1 224 ? 3.35 19.974 -23.696 1.0 18.0 ? 214 A 1 +ATOM 3793 H HA . LEU A 1 224 ? 2.606 20.806 -21.351 1.0 17.54 ? 214 A 1 +ATOM 3794 H HB2 . LEU A 1 224 ? 5.215 20.399 -22.308 1.0 19.52 ? 214 A 1 +ATOM 3795 H HB3 . LEU A 1 224 ? 4.909 20.745 -20.787 1.0 19.52 ? 214 A 1 +ATOM 3796 H HG . LEU A 1 224 ? 4.013 18.377 -22.038 1.0 18.01 ? 214 A 1 +ATOM 3797 H HD11 . LEU A 1 224 ? 5.727 17.313 -20.796 1.0 20.94 ? 214 A 1 +ATOM 3798 H HD12 . LEU A 1 224 ? 6.366 18.373 -21.792 1.0 20.94 ? 214 A 1 +ATOM 3799 H HD13 . LEU A 1 224 ? 6.204 18.727 -20.252 1.0 20.94 ? 214 A 1 +ATOM 3800 H HD21 . LEU A 1 224 ? 3.501 17.678 -19.822 1.0 19.53 ? 214 A 1 +ATOM 3801 H HD22 . LEU A 1 224 ? 3.783 19.162 -19.332 1.0 19.53 ? 214 A 1 +ATOM 3802 H HD23 . LEU A 1 224 ? 2.575 18.868 -20.32 1.0 19.53 ? 214 A 1 +ATOM 3803 N N . LEU A 1 225 ? 4.166 23.031 -23.08 1.0 15.41 ? 215 A 1 +ATOM 3804 C CA . LEU A 1 225 ? 4.442 24.456 -23.145 1.0 17.79 ? 215 A 1 +ATOM 3805 C C . LEU A 1 225 ? 3.184 25.271 -23.343 1.0 15.83 ? 215 A 1 +ATOM 3806 O O . LEU A 1 225 ? 3.113 26.406 -22.848 1.0 18.32 ? 215 A 1 +ATOM 3807 C CB . LEU A 1 225 ? 5.495 24.738 -24.221 1.0 17.91 ? 215 A 1 +ATOM 3808 C CG . LEU A 1 225 ? 6.84 24.135 -23.881 1.0 21.55 ? 215 A 1 +ATOM 3809 C CD1 . LEU A 1 225 ? 7.767 24.246 -25.09 1.0 28.55 ? 215 A 1 +ATOM 3810 C CD2 . LEU A 1 225 ? 7.406 24.843 -22.665 1.0 27.88 ? 215 A 1 +ATOM 3811 H H . LEU A 1 225 ? 4.457 22.578 -23.751 1.0 18.49 ? 215 A 1 +ATOM 3812 H HA . LEU A 1 225 ? 4.821 24.746 -22.301 1.0 21.35 ? 215 A 1 +ATOM 3813 H HB2 . LEU A 1 225 ? 5.197 24.359 -25.062 1.0 21.5 ? 215 A 1 +ATOM 3814 H HB3 . LEU A 1 225 ? 5.607 25.697 -24.31 1.0 21.5 ? 215 A 1 +ATOM 3815 H HG . LEU A 1 225 ? 6.758 23.192 -23.665 1.0 25.86 ? 215 A 1 +ATOM 3816 H HD11 . LEU A 1 225 ? 8.629 23.864 -24.864 1.0 34.26 ? 215 A 1 +ATOM 3817 H HD12 . LEU A 1 225 ? 7.375 23.762 -25.834 1.0 34.26 ? 215 A 1 +ATOM 3818 H HD13 . LEU A 1 225 ? 7.871 25.182 -25.323 1.0 34.26 ? 215 A 1 +ATOM 3819 H HD21 . LEU A 1 225 ? 8.362 24.684 -22.623 1.0 33.45 ? 215 A 1 +ATOM 3820 H HD22 . LEU A 1 225 ? 7.232 25.794 -22.743 1.0 33.45 ? 215 A 1 +ATOM 3821 H HD23 . LEU A 1 225 ? 6.978 24.493 -21.868 1.0 33.45 ? 215 A 1 +ATOM 3822 N N . PHE A 1 226 ? 2.196 24.737 -24.053 1.0 15.59 ? 216 A 1 +ATOM 3823 C CA . PHE A 1 226 ? 0.9 25.4 -24.185 1.0 16.73 ? 216 A 1 +ATOM 3824 C C . PHE A 1 226 ? 0.239 25.532 -22.823 1.0 14.95 ? 216 A 1 +ATOM 3825 O O . PHE A 1 226 ? -0.302 26.59 -22.47 1.0 17.25 ? 216 A 1 +ATOM 3826 C CB . PHE A 1 226 ? 0.043 24.604 -25.174 1.0 16.29 ? 216 A 1 +ATOM 3827 C CG . PHE A 1 226 ? -1.39 25.04 -25.223 1.0 15.08 ? 216 A 1 +ATOM 3828 C CD1 . PHE A 1 226 ? -1.751 26.185 -25.884 1.0 16.88 ? 216 A 1 +ATOM 3829 C CD2 . PHE A 1 226 ? -2.373 24.299 -24.606 1.0 17.78 ? 216 A 1 +ATOM 3830 C CE1 . PHE A 1 226 ? -3.058 26.573 -25.904 1.0 19.06 ? 216 A 1 +ATOM 3831 C CE2 . PHE A 1 226 ? -3.685 24.735 -24.647 1.0 16.46 ? 216 A 1 +ATOM 3832 C CZ . PHE A 1 226 ? -3.997 25.822 -25.326 1.0 17.05 ? 216 A 1 +ATOM 3833 H H . PHE A 1 226 ? 2.247 23.987 -24.471 1.0 18.71 ? 216 A 1 +ATOM 3834 H HA . PHE A 1 226 ? 1.003 26.297 -24.541 1.0 20.07 ? 216 A 1 +ATOM 3835 H HB2 . PHE A 1 226 ? 0.415 24.709 -26.064 1.0 19.55 ? 216 A 1 +ATOM 3836 H HB3 . PHE A 1 226 ? 0.059 23.669 -24.917 1.0 19.55 ? 216 A 1 +ATOM 3837 H HD1 . PHE A 1 226 ? -1.107 26.695 -26.319 1.0 20.25 ? 216 A 1 +ATOM 3838 H HD2 . PHE A 1 226 ? -2.156 23.509 -24.165 1.0 21.33 ? 216 A 1 +ATOM 3839 H HE1 . PHE A 1 226 ? -3.297 27.368 -26.323 1.0 22.88 ? 216 A 1 +ATOM 3840 H HE2 . PHE A 1 226 ? -4.346 24.263 -24.196 1.0 19.75 ? 216 A 1 +ATOM 3841 H HZ . PHE A 1 226 ? -4.89 26.07 -25.404 1.0 20.46 ? 216 A 1 +ATOM 3842 N N . LEU A 1 227 ? 0.254 24.456 -22.062 1.0 14.8 ? 217 A 1 +ATOM 3843 C CA . LEU A 1 227 ? -0.379 24.471 -20.727 1.0 14.58 ? 217 A 1 +ATOM 3844 C C . LEU A 1 227 ? 0.306 25.491 -19.841 1.0 17.19 ? 217 A 1 +ATOM 3845 O O . LEU A 1 227 ? -0.361 26.266 -19.15 1.0 17.77 ? 217 A 1 +ATOM 3846 C CB . LEU A 1 227 ? -0.323 23.072 -20.118 1.0 15.88 ? 217 A 1 +ATOM 3847 C CG . LEU A 1 227 ? -1.108 22.028 -20.813 1.0 16.17 ? 217 A 1 +ATOM 3848 C CD1 . LEU A 1 227 ? -0.757 20.637 -20.385 1.0 21.35 ? 217 A 1 +ATOM 3849 C CD2 . LEU A 1 227 ? -2.61 22.29 -20.735 1.0 15.96 ? 217 A 1 +ATOM 3850 H H . LEU A 1 227 ? 0.616 23.706 -22.278 1.0 17.76 ? 217 A 1 +ATOM 3851 H HA . LEU A 1 227 ? -1.315 24.715 -20.8 1.0 17.49 ? 217 A 1 +ATOM 3852 H HB2 . LEU A 1 227 ? 0.603 22.781 -20.116 1.0 19.05 ? 217 A 1 +ATOM 3853 H HB3 . LEU A 1 227 ? -0.656 23.125 -19.209 1.0 19.05 ? 217 A 1 +ATOM 3854 H HG . LEU A 1 227 ? -0.862 22.079 -21.75 1.0 19.4 ? 217 A 1 +ATOM 3855 H HD11 . LEU A 1 227 ? -1.404 20.018 -20.759 1.0 25.63 ? 217 A 1 +ATOM 3856 H HD12 . LEU A 1 227 ? 0.132 20.422 -20.708 1.0 25.63 ? 217 A 1 +ATOM 3857 H HD13 . LEU A 1 227 ? -0.777 20.59 -19.416 1.0 25.63 ? 217 A 1 +ATOM 3858 H HD21 . LEU A 1 227 ? -3.083 21.534 -21.117 1.0 19.15 ? 217 A 1 +ATOM 3859 H HD22 . LEU A 1 227 ? -2.863 22.402 -19.805 1.0 19.15 ? 217 A 1 +ATOM 3860 H HD23 . LEU A 1 227 ? -2.817 23.096 -21.233 1.0 19.15 ? 217 A 1 +ATOM 3861 N N . LYS A 1 228 ? 1.626 25.51 -19.862 1.0 16.4 ? 218 A 1 +ATOM 3862 C CA . LYS A 1 228 ? 2.392 26.465 -19.065 1.0 19.33 ? 218 A 1 +ATOM 3863 C C . LYS A 1 228 ? 2.084 27.894 -19.464 1.0 20.68 ? 218 A 1 +ATOM 3864 O O . LYS A 1 228 ? 1.922 28.769 -18.599 1.0 21.61 ? 218 A 1 +ATOM 3865 C CB . LYS A 1 228 ? 3.885 26.137 -19.23 1.0 22.02 ? 218 A 1 +ATOM 3866 C CG . LYS A 1 228 ? 4.874 27.049 -18.506 1.0 23.39 ? 218 A 1 +ATOM 3867 C CD . LYS A 1 228 ? 4.733 26.957 -17.06 1.0 27.01 ? 218 A 1 +ATOM 3868 C CE . LYS A 1 228 ? 5.954 27.565 -16.354 0.85 30.79 ? 218 A 1 +ATOM 3869 N NZ . LYS A 1 228 ? 5.612 27.692 -14.936 0.39 18.29 ? 218 A 1 +ATOM 3870 H H . LYS A 1 228 ? 2.112 24.978 -20.331 1.0 19.68 ? 218 A 1 +ATOM 3871 H HA . LYS A 1 228 ? 2.158 26.387 -18.127 1.0 23.19 ? 218 A 1 +ATOM 3872 H HB2 . LYS A 1 228 ? 4.033 25.238 -18.898 1.0 26.42 ? 218 A 1 +ATOM 3873 H HB3 . LYS A 1 228 ? 4.099 26.181 -20.175 1.0 26.42 ? 218 A 1 +ATOM 3874 H HG2 . LYS A 1 228 ? 5.779 26.789 -18.74 1.0 28.07 ? 218 A 1 +ATOM 3875 H HG3 . LYS A 1 228 ? 4.714 27.968 -18.769 1.0 28.07 ? 218 A 1 +ATOM 3876 H HD2 . LYS A 1 228 ? 3.942 27.443 -16.781 1.0 32.42 ? 218 A 1 +ATOM 3877 H HD3 . LYS A 1 228 ? 4.659 26.025 -16.8 1.0 32.42 ? 218 A 1 +ATOM 3878 H HE2 . LYS A 1 228 ? 6.724 26.984 -16.45 0.78 36.95 ? 218 A 1 +ATOM 3879 H HE3 . LYS A 1 228 ? 6.153 28.442 -16.718 0.79 36.95 ? 218 A 1 +ATOM 3880 H HZ1 . LYS A 1 228 ? 6.326 27.515 -14.434 0.36 21.95 ? 218 A 1 +ATOM 3881 H HZ2 . LYS A 1 228 ? 5.335 28.52 -14.762 0.42 21.95 ? 218 A 1 +ATOM 3882 H HZ3 . LYS A 1 228 ? 4.963 27.12 -14.727 0.43 21.95 ? 218 A 1 +ATOM 3883 N N . GLU A 1 229 ? 2.018 28.157 -20.773 1.0 19.05 ? 219 A 1 +ATOM 3884 C CA . GLU A 1 229 ? 1.783 29.506 -21.276 1.0 20.33 ? 219 A 1 +ATOM 3885 C C . GLU A 1 229 ? 0.503 30.1 -20.71 1.0 19.78 ? 219 A 1 +ATOM 3886 O O . GLU A 1 229 ? 0.461 31.288 -20.374 1.0 22.07 ? 219 A 1 +ATOM 3887 C CB . GLU A 1 229 ? 1.716 29.458 -22.821 1.0 21.67 ? 219 A 1 +ATOM 3888 C CG . GLU A 1 229 ? 1.252 30.773 -23.506 1.0 26.0 ? 219 A 1 +ATOM 3889 C CD . GLU A 1 229 ? 1.211 30.683 -25.037 1.0 43.85 ? 219 A 1 +ATOM 3890 O OE1 . GLU A 1 229 ? 1.317 29.564 -25.601 1.0 35.1 ? 219 A 1 +ATOM 3891 O OE2 . GLU A 1 229 ? 1.046 31.749 -25.663 1.0 55.7 ? 219 A 1 +ATOM 3892 H H . GLU A 1 229 ? 2.107 27.567 -21.392 1.0 22.86 ? 219 A 1 +ATOM 3893 H HA . GLU A 1 229 ? 2.516 30.082 -21.006 1.0 24.4 ? 219 A 1 +ATOM 3894 H HB2 . GLU A 1 229 ? 2.602 29.252 -23.159 1.0 26.0 ? 219 A 1 +ATOM 3895 H HB3 . GLU A 1 229 ? 1.093 28.761 -23.079 1.0 26.0 ? 219 A 1 +ATOM 3896 H HG2 . GLU A 1 229 ? 0.357 30.988 -23.197 1.0 31.21 ? 219 A 1 +ATOM 3897 H HG3 . GLU A 1 229 ? 1.865 31.485 -23.266 1.0 31.21 ? 219 A 1 +ATOM 3898 N N . HIS A 1 230 ? -0.549 29.301 -20.603 1.0 17.82 ? 220 A 1 +ATOM 3899 C CA . HIS A 1 230 ? -1.849 29.807 -20.213 1.0 19.87 ? 220 A 1 +ATOM 3900 C C . HIS A 1 230 ? -2.186 29.605 -18.745 1.0 19.42 ? 220 A 1 +ATOM 3901 O O . HIS A 1 230 ? -3.256 30.062 -18.311 1.0 21.77 ? 220 A 1 +ATOM 3902 C CB . HIS A 1 230 ? -2.916 29.187 -21.1 1.0 21.62 ? 220 A 1 +ATOM 3903 C CG . HIS A 1 230 ? -2.751 29.592 -22.529 1.0 22.23 ? 220 A 1 +ATOM 3904 N ND1 . HIS A 1 230 ? -3.063 30.862 -23.003 1.0 27.57 ? 220 A 1 +ATOM 3905 C CD2 . HIS A 1 230 ? -2.267 28.908 -23.586 1.0 20.79 ? 220 A 1 +ATOM 3906 C CE1 . HIS A 1 230 ? -2.78 30.921 -24.287 1.0 24.01 ? 220 A 1 +ATOM 3907 N NE2 . HIS A 1 230 ? -2.326 29.746 -24.676 1.0 24.01 ? 220 A 1 +ATOM 3908 H H . HIS A 1 230 ? -0.532 28.454 -20.753 1.0 21.39 ? 220 A 1 +ATOM 3909 H HA . HIS A 1 230 ? -1.859 30.767 -20.353 1.0 23.85 ? 220 A 1 +ATOM 3910 H HB2 . HIS A 1 230 ? -2.854 28.221 -21.048 1.0 25.95 ? 220 A 1 +ATOM 3911 H HB3 . HIS A 1 230 ? -3.791 29.48 -20.8 1.0 25.95 ? 220 A 1 +ATOM 3912 H HD1 . HIS A 1 230 ? -3.388 31.505 -22.533 1.0 33.09 ? 220 A 1 +ATOM 3913 H HD2 . HIS A 1 230 ? -1.952 28.033 -23.579 1.0 24.95 ? 220 A 1 +ATOM 3914 H HE1 . HIS A 1 230 ? -2.884 31.668 -24.83 1.0 28.82 ? 220 A 1 +ATOM 3915 N N . ASP A 1 231 ? -1.341 28.945 -17.996 1.0 17.38 ? 221 A 1 +ATOM 3916 C CA . ASP A 1 231 ? -1.525 28.868 -16.531 1.0 19.27 ? 221 A 1 +ATOM 3917 C C . ASP A 1 231 ? -2.908 28.323 -16.195 1.0 18.64 ? 221 A 1 +ATOM 3918 O O . ASP A 1 231 ? -3.615 28.878 -15.348 1.0 18.64 ? 221 A 1 +ATOM 3919 C CB . ASP A 1 231 ? -1.264 30.247 -15.906 1.0 21.99 ? 221 A 1 +ATOM 3920 C CG . ASP A 1 231 ? -1.367 30.247 -14.398 1.0 24.55 ? 221 A 1 +ATOM 3921 O OD1 . ASP A 1 231 ? -0.956 29.262 -13.784 1.0 23.23 ? 221 A 1 +ATOM 3922 O OD2 . ASP A 1 231 ? -1.797 31.293 -13.835 1.0 29.47 ? 221 A 1 +ATOM 3923 H H . ASP A 1 231 ? -0.65 28.528 -18.292 1.0 20.85 ? 221 A 1 +ATOM 3924 H HA . ASP A 1 231 ? -0.889 28.247 -16.143 1.0 23.13 ? 221 A 1 +ATOM 3925 H HB2 . ASP A 1 231 ? -0.37 30.536 -16.145 1.0 26.39 ? 221 A 1 +ATOM 3926 H HB3 . ASP A 1 231 ? -1.918 30.876 -16.249 1.0 26.39 ? 221 A 1 +ATOM 3927 N N . PHE A 1 232 ? -3.311 27.222 -16.853 1.0 16.9 ? 222 A 1 +ATOM 3928 C CA . PHE A 1 232 ? -4.659 26.719 -16.665 1.0 15.74 ? 222 A 1 +ATOM 3929 C C . PHE A 1 232 ? -4.893 26.294 -15.224 1.0 15.07 ? 222 A 1 +ATOM 3930 O O . PHE A 1 232 ? -4.029 25.741 -14.547 1.0 16.16 ? 222 A 1 +ATOM 3931 C CB . PHE A 1 232 ? -4.882 25.509 -17.591 1.0 16.41 ? 222 A 1 +ATOM 3932 C CG . PHE A 1 232 ? -5.007 25.902 -19.05 1.0 15.39 ? 222 A 1 +ATOM 3933 C CD1 . PHE A 1 232 ? -6.107 26.661 -19.493 1.0 15.06 ? 222 A 1 +ATOM 3934 C CD2 . PHE A 1 232 ? -4.019 25.592 -19.965 1.0 16.37 ? 222 A 1 +ATOM 3935 C CE1 . PHE A 1 232 ? -6.221 27.046 -20.825 1.0 16.53 ? 222 A 1 +ATOM 3936 C CE2 . PHE A 1 232 ? -4.144 25.983 -21.292 1.0 16.07 ? 222 A 1 +ATOM 3937 C CZ . PHE A 1 232 ? -5.189 26.693 -21.707 1.0 17.08 ? 222 A 1 +ATOM 3938 H H . PHE A 1 232 ? -2.826 26.768 -17.399 1.0 20.28 ? 222 A 1 +ATOM 3939 H HA . PHE A 1 232 ? -5.296 27.418 -16.879 1.0 18.89 ? 222 A 1 +ATOM 3940 H HB2 . PHE A 1 232 ? -4.128 24.904 -17.506 1.0 19.69 ? 222 A 1 +ATOM 3941 H HB3 . PHE A 1 232 ? -5.7 25.059 -17.329 1.0 19.69 ? 222 A 1 +ATOM 3942 H HD1 . PHE A 1 232 ? -6.767 26.908 -18.886 1.0 18.07 ? 222 A 1 +ATOM 3943 H HD2 . PHE A 1 232 ? -3.266 25.12 -19.691 1.0 19.64 ? 222 A 1 +ATOM 3944 H HE1 . PHE A 1 232 ? -6.961 27.524 -21.122 1.0 19.84 ? 222 A 1 +ATOM 3945 H HE2 . PHE A 1 232 ? -3.484 25.743 -21.902 1.0 19.28 ? 222 A 1 +ATOM 3946 H HZ . PHE A 1 232 ? -5.236 26.961 -22.597 1.0 20.5 ? 222 A 1 +ATOM 3947 N N . ASP A 1 233 ? -6.114 26.512 -14.803 1.0 14.07 ? 223 A 1 +ATOM 3948 C CA . ASP A 1 233 ? -6.53 26.137 -13.451 1.0 14.74 ? 223 A 1 +ATOM 3949 C C . ASP A 1 233 ? -6.606 24.656 -13.281 1.0 13.82 ? 223 A 1 +ATOM 3950 O O . ASP A 1 233 ? -6.345 24.141 -12.17 1.0 15.96 ? 223 A 1 +ATOM 3951 C CB . ASP A 1 233 ? -7.861 26.793 -13.101 1.0 14.56 ? 223 A 1 +ATOM 3952 C CG . ASP A 1 233 ? -7.797 28.277 -13.256 1.0 18.1 ? 223 A 1 +ATOM 3953 O OD1 . ASP A 1 233 ? -6.96 28.91 -12.558 1.0 18.24 ? 223 A 1 +ATOM 3954 O OD2 . ASP A 1 233 ? -8.504 28.848 -14.127 1.0 19.28 ? 223 A 1 +ATOM 3955 H H . ASP A 1 233 ? -6.735 26.877 -15.273 1.0 16.89 ? 223 A 1 +ATOM 3956 H HA . ASP A 1 233 ? -5.864 26.468 -12.829 1.0 17.69 ? 223 A 1 +ATOM 3957 H HB2 . ASP A 1 233 ? -8.551 26.454 -13.692 1.0 17.47 ? 223 A 1 +ATOM 3958 H HB3 . ASP A 1 233 ? -8.085 26.592 -12.179 1.0 17.47 ? 223 A 1 +ATOM 3959 N N . MET A 1 234 ? -7.01 23.943 -14.329 1.0 13.45 ? 224 A 1 +ATOM 3960 C CA A MET A 1 234 ? -7.125 22.5 -14.307 0.61 14.69 ? 224 A 1 +ATOM 3961 C CA B MET A 1 234 ? -7.126 22.502 -14.31 0.39 12.71 ? 224 A 1 +ATOM 3962 C C . MET A 1 234 ? -6.48 21.961 -15.564 1.0 12.55 ? 224 A 1 +ATOM 3963 O O . MET A 1 234 ? -6.535 22.6 -16.636 1.0 13.25 ? 224 A 1 +ATOM 3964 C CB A MET A 1 234 ? -8.58 21.953 -14.247 0.61 18.43 ? 224 A 1 +ATOM 3965 C CB B MET A 1 234 ? -8.587 22.049 -14.266 0.39 19.07 ? 224 A 1 +ATOM 3966 C CG A MET A 1 234 ? -9.471 22.598 -13.228 0.61 53.62 ? 224 A 1 +ATOM 3967 C CG B MET A 1 234 ? -9.343 22.617 -13.116 0.39 12.73 ? 224 A 1 +ATOM 3968 S SD A MET A 1 234 ? -10.493 23.873 -13.961 0.61 16.31 ? 224 A 1 +ATOM 3969 S SD B MET A 1 234 ? -11.129 22.466 -13.33 0.39 36.2 ? 224 A 1 +ATOM 3970 C CE A MET A 1 234 ? -11.834 22.957 -14.771 0.61 14.91 ? 224 A 1 +ATOM 3971 C CE B MET A 1 234 ? -11.422 23.695 -14.597 0.39 41.23 ? 224 A 1 +ATOM 3972 H H A MET A 1 234 ? -7.229 24.289 -15.085 0.61 16.14 ? 224 A 1 +ATOM 3973 H H B MET A 1 234 ? -7.229 24.29 -15.085 0.39 16.14 ? 224 A 1 +ATOM 3974 H HA A MET A 1 234 ? -6.686 22.19 -13.5 0.61 17.63 ? 224 A 1 +ATOM 3975 H HA B MET A 1 234 ? -6.685 22.15 -13.521 0.39 15.25 ? 224 A 1 +ATOM 3976 H HB2 A MET A 1 234 ? -8.992 22.086 -15.115 0.61 22.11 ? 224 A 1 +ATOM 3977 H HB2 B MET A 1 234 ? -9.028 22.331 -15.083 0.39 22.88 ? 224 A 1 +ATOM 3978 H HB3 A MET A 1 234 ? -8.541 21.007 -14.039 0.61 22.11 ? 224 A 1 +ATOM 3979 H HB3 B MET A 1 234 ? -8.613 21.082 -14.193 0.39 22.88 ? 224 A 1 +ATOM 3980 H HG2 A MET A 1 234 ? -10.052 21.926 -12.839 0.61 64.35 ? 224 A 1 +ATOM 3981 H HG2 B MET A 1 234 ? -9.094 22.144 -12.306 0.39 15.27 ? 224 A 1 +ATOM 3982 H HG3 A MET A 1 234 ? -8.925 23.004 -12.536 0.61 64.35 ? 224 A 1 +ATOM 3983 H HG3 B MET A 1 234 ? -9.128 23.559 -13.028 0.39 15.27 ? 224 A 1 +ATOM 3984 H HE1 A MET A 1 234 ? -12.436 23.588 -15.197 0.61 17.89 ? 224 A 1 +ATOM 3985 H HE1 B MET A 1 234 ? -12.371 23.727 -14.793 0.39 49.47 ? 224 A 1 +ATOM 3986 H HE2 A MET A 1 234 ? -11.454 22.363 -15.436 0.61 17.89 ? 224 A 1 +ATOM 3987 H HE2 B MET A 1 234 ? -11.121 24.559 -14.275 0.39 49.47 ? 224 A 1 +ATOM 3988 H HE3 A MET A 1 234 ? -12.314 22.442 -14.103 0.61 17.89 ? 224 A 1 +ATOM 3989 H HE3 B MET A 1 234 ? -10.928 23.449 -15.395 0.39 49.47 ? 224 A 1 +ATOM 3990 N N . VAL A 1 235 ? -5.933 20.756 -15.477 1.0 12.33 ? 225 A 1 +ATOM 3991 C CA . VAL A 1 235 ? -5.377 20.089 -16.647 1.0 12.22 ? 225 A 1 +ATOM 3992 C C . VAL A 1 235 ? -5.762 18.628 -16.604 1.0 12.38 ? 225 A 1 +ATOM 3993 O O . VAL A 1 235 ? -5.327 17.909 -15.688 1.0 13.45 ? 225 A 1 +ATOM 3994 C CB . VAL A 1 235 ? -3.863 20.205 -16.693 1.0 13.28 ? 225 A 1 +ATOM 3995 C CG1 . VAL A 1 235 ? -3.346 19.508 -17.986 1.0 14.18 ? 225 A 1 +ATOM 3996 C CG2 . VAL A 1 235 ? -3.392 21.609 -16.661 1.0 14.96 ? 225 A 1 +ATOM 3997 H H . VAL A 1 235 ? -5.872 20.303 -14.749 1.0 14.79 ? 225 A 1 +ATOM 3998 H HA . VAL A 1 235 ? -5.761 20.484 -17.446 1.0 14.66 ? 225 A 1 +ATOM 3999 H HB . VAL A 1 235 ? -3.503 19.775 -15.901 1.0 15.93 ? 225 A 1 +ATOM 4000 H HG11 . VAL A 1 235 ? -2.411 19.733 -18.114 1.0 17.02 ? 225 A 1 +ATOM 4001 H HG12 . VAL A 1 235 ? -3.445 18.548 -17.888 1.0 17.02 ? 225 A 1 +ATOM 4002 H HG13 . VAL A 1 235 ? -3.868 19.819 -18.742 1.0 17.02 ? 225 A 1 +ATOM 4003 H HG21 . VAL A 1 235 ? -2.424 21.619 -16.726 1.0 17.96 ? 225 A 1 +ATOM 4004 H HG22 . VAL A 1 235 ? -3.779 22.089 -17.41 1.0 17.96 ? 225 A 1 +ATOM 4005 H HG23 . VAL A 1 235 ? -3.671 22.017 -15.827 1.0 17.96 ? 225 A 1 +ATOM 4006 N N . GLY A 1 236 ? -6.537 18.175 -17.576 1.0 12.51 ? 226 A 1 +ATOM 4007 C CA . GLY A 1 236 ? -6.985 16.788 -17.72 1.0 12.35 ? 226 A 1 +ATOM 4008 C C . GLY A 1 236 ? -6.183 16.068 -18.795 1.0 12.4 ? 226 A 1 +ATOM 4009 O O . GLY A 1 236 ? -6.3 16.425 -19.985 1.0 13.17 ? 226 A 1 +ATOM 4010 H H . GLY A 1 236 ? -6.839 18.676 -18.206 1.0 15.01 ? 226 A 1 +ATOM 4011 H HA2 . GLY A 1 236 ? -6.871 16.319 -16.879 1.0 14.82 ? 226 A 1 +ATOM 4012 H HA3 . GLY A 1 236 ? -7.923 16.772 -17.967 1.0 14.82 ? 226 A 1 +ATOM 4013 N N . ILE A 1 237 ? -5.394 15.093 -18.403 1.0 12.64 ? 227 A 1 +ATOM 4014 C CA . ILE A 1 237 ? -4.533 14.337 -19.297 1.0 12.52 ? 227 A 1 +ATOM 4015 C C . ILE A 1 237 ? -4.847 12.871 -19.176 1.0 13.47 ? 227 A 1 +ATOM 4016 O O . ILE A 1 237 ? -5.032 12.339 -18.069 1.0 13.69 ? 227 A 1 +ATOM 4017 C CB . ILE A 1 237 ? -3.069 14.611 -18.951 1.0 14.42 ? 227 A 1 +ATOM 4018 C CG1 . ILE A 1 237 ? -2.674 16.027 -19.382 1.0 20.34 ? 227 A 1 +ATOM 4019 C CG2 . ILE A 1 237 ? -2.149 13.643 -19.613 1.0 17.71 ? 227 A 1 +ATOM 4020 C CD1 . ILE A 1 237 ? -1.311 16.52 -18.803 1.0 23.12 ? 227 A 1 +ATOM 4021 H H . ILE A 1 237 ? -5.334 14.834 -17.585 1.0 15.17 ? 227 A 1 +ATOM 4022 H HA . ILE A 1 237 ? -4.707 14.588 -20.218 1.0 15.02 ? 227 A 1 +ATOM 4023 H HB . ILE A 1 237 ? -2.988 14.516 -17.989 1.0 17.31 ? 227 A 1 +ATOM 4024 H HG12 . ILE A 1 237 ? -2.607 16.049 -20.349 1.0 24.41 ? 227 A 1 +ATOM 4025 H HG13 . ILE A 1 237 ? -3.36 16.644 -19.083 1.0 24.41 ? 227 A 1 +ATOM 4026 H HG21 . ILE A 1 237 ? -1.239 13.971 -19.54 1.0 21.26 ? 227 A 1 +ATOM 4027 H HG22 . ILE A 1 237 ? -2.227 12.782 -19.172 1.0 21.26 ? 227 A 1 +ATOM 4028 H HG23 . ILE A 1 237 ? -2.397 13.559 -20.547 1.0 21.26 ? 227 A 1 +ATOM 4029 H HD11 . ILE A 1 237 ? -1.241 17.479 -18.933 1.0 27.75 ? 227 A 1 +ATOM 4030 H HD12 . ILE A 1 237 ? -1.275 16.31 -17.857 1.0 27.75 ? 227 A 1 +ATOM 4031 H HD13 . ILE A 1 237 ? -0.589 16.07 -19.269 1.0 27.75 ? 227 A 1 +ATOM 4032 N N . GLY A 1 238 ? -4.879 12.165 -20.287 1.0 12.73 ? 228 A 1 +ATOM 4033 C CA . GLY A 1 238 ? -5.031 10.739 -20.271 1.0 12.89 ? 228 A 1 +ATOM 4034 C C . GLY A 1 238 ? -4.557 10.167 -21.593 1.0 12.97 ? 228 A 1 +ATOM 4035 O O . GLY A 1 238 ? -4.248 10.916 -22.543 1.0 13.75 ? 228 A 1 +ATOM 4036 H H . GLY A 1 238 ? -4.812 12.501 -21.076 1.0 15.27 ? 228 A 1 +ATOM 4037 H HA2 . GLY A 1 238 ? -4.505 10.356 -19.552 1.0 15.47 ? 228 A 1 +ATOM 4038 H HA3 . GLY A 1 238 ? -5.963 10.506 -20.14 1.0 15.47 ? 228 A 1 +ATOM 4039 N N . PRO A 1 239 ? -4.453 8.864 -21.675 1.0 13.0 ? 229 A 1 +ATOM 4040 C CA . PRO A 1 239 ? -4.065 8.192 -22.921 1.0 13.13 ? 229 A 1 +ATOM 4041 C C . PRO A 1 239 ? -5.226 8.189 -23.886 1.0 13.99 ? 229 A 1 +ATOM 4042 O O . PRO A 1 239 ? -6.395 8.13 -23.519 1.0 14.19 ? 229 A 1 +ATOM 4043 C CB . PRO A 1 239 ? -3.762 6.753 -22.464 1.0 15.51 ? 229 A 1 +ATOM 4044 C CG . PRO A 1 239 ? -4.757 6.559 -21.306 1.0 14.96 ? 229 A 1 +ATOM 4045 C CD . PRO A 1 239 ? -4.712 7.887 -20.59 1.0 13.24 ? 229 A 1 +ATOM 4046 H HA . PRO A 1 239 ? -3.273 8.588 -23.316 1.0 15.76 ? 229 A 1 +ATOM 4047 H HB2 . PRO A 1 239 ? -3.927 6.125 -23.184 1.0 18.61 ? 229 A 1 +ATOM 4048 H HB3 . PRO A 1 239 ? -2.843 6.678 -22.161 1.0 18.61 ? 229 A 1 +ATOM 4049 H HG2 . PRO A 1 239 ? -5.644 6.372 -21.65 1.0 17.95 ? 229 A 1 +ATOM 4050 H HG3 . PRO A 1 239 ? -4.466 5.836 -20.728 1.0 17.95 ? 229 A 1 +ATOM 4051 H HD2 . PRO A 1 239 ? -5.559 8.072 -20.156 1.0 15.89 ? 229 A 1 +ATOM 4052 H HD3 . PRO A 1 239 ? -3.995 7.901 -19.937 1.0 15.89 ? 229 A 1 +ATOM 4053 N N . PHE A 1 240 ? -4.878 8.238 -25.181 1.0 13.63 ? 230 A 1 +ATOM 4054 C CA . PHE A 1 240 ? -5.826 7.907 -26.233 1.0 13.73 ? 230 A 1 +ATOM 4055 C C . PHE A 1 240 ? -6.125 6.408 -26.157 1.0 13.94 ? 230 A 1 +ATOM 4056 O O . PHE A 1 240 ? -5.215 5.574 -26.15 1.0 14.75 ? 230 A 1 +ATOM 4057 C CB . PHE A 1 240 ? -5.205 8.236 -27.597 1.0 13.87 ? 230 A 1 +ATOM 4058 C CG . PHE A 1 240 ? -5.924 7.579 -28.764 1.0 14.22 ? 230 A 1 +ATOM 4059 C CD1 . PHE A 1 240 ? -7.254 7.842 -29.04 1.0 15.11 ? 230 A 1 +ATOM 4060 C CD2 . PHE A 1 240 ? -5.228 6.74 -29.572 1.0 15.69 ? 230 A 1 +ATOM 4061 C CE1 . PHE A 1 240 ? -7.913 7.21 -30.078 1.0 15.37 ? 230 A 1 +ATOM 4062 C CE2 . PHE A 1 240 ? -5.877 6.098 -30.662 1.0 17.23 ? 230 A 1 +ATOM 4063 C CZ . PHE A 1 240 ? -7.24 6.367 -30.891 1.0 15.77 ? 230 A 1 +ATOM 4064 H H . PHE A 1 240 ? -4.098 8.461 -25.468 1.0 16.35 ? 230 A 1 +ATOM 4065 H HA . PHE A 1 240 ? -6.647 8.413 -26.131 1.0 16.48 ? 230 A 1 +ATOM 4066 H HB2 . PHE A 1 240 ? -5.236 9.196 -27.731 1.0 16.64 ? 230 A 1 +ATOM 4067 H HB3 . PHE A 1 240 ? -4.285 7.929 -27.604 1.0 16.64 ? 230 A 1 +ATOM 4068 H HD1 . PHE A 1 240 ? -7.714 8.458 -28.517 1.0 18.13 ? 230 A 1 +ATOM 4069 H HD2 . PHE A 1 240 ? -4.325 6.584 -29.413 1.0 18.83 ? 230 A 1 +ATOM 4070 H HE1 . PHE A 1 240 ? -8.82 7.364 -30.216 1.0 18.44 ? 230 A 1 +ATOM 4071 H HE2 . PHE A 1 240 ? -5.411 5.513 -31.214 1.0 20.68 ? 230 A 1 +ATOM 4072 H HZ . PHE A 1 240 ? -7.678 5.963 -31.604 1.0 18.93 ? 230 A 1 +ATOM 4073 N N . ILE A 1 241 ? -7.404 6.059 -26.158 1.0 14.47 ? 231 A 1 +ATOM 4074 C CA . ILE A 1 241 ? -7.813 4.649 -26.151 1.0 14.97 ? 231 A 1 +ATOM 4075 C C . ILE A 1 241 ? -8.653 4.37 -27.39 1.0 15.02 ? 231 A 1 +ATOM 4076 O O . ILE A 1 241 ? -9.773 4.912 -27.505 1.0 15.37 ? 231 A 1 +ATOM 4077 C CB . ILE A 1 241 ? -8.597 4.307 -24.886 1.0 14.84 ? 231 A 1 +ATOM 4078 C CG1 . ILE A 1 241 ? -7.698 4.521 -23.628 1.0 17.49 ? 231 A 1 +ATOM 4079 C CG2 . ILE A 1 241 ? -9.049 2.875 -24.957 1.0 17.57 ? 231 A 1 +ATOM 4080 C CD1 . ILE A 1 241 ? -8.393 4.382 -22.296 1.0 19.43 ? 231 A 1 +ATOM 4081 H H . ILE A 1 241 ? -8.059 6.616 -26.162 1.0 17.36 ? 231 A 1 +ATOM 4082 H HA . ILE A 1 241 ? -7.017 4.094 -26.184 1.0 17.96 ? 231 A 1 +ATOM 4083 H HB . ILE A 1 241 ? -9.37 4.889 -24.82 1.0 17.81 ? 231 A 1 +ATOM 4084 H HG12 . ILE A 1 241 ? -6.984 3.865 -23.65 1.0 20.99 ? 231 A 1 +ATOM 4085 H HG13 . ILE A 1 241 ? -7.328 5.416 -23.668 1.0 20.99 ? 231 A 1 +ATOM 4086 H HG21 . ILE A 1 241 ? -9.358 2.597 -24.08 1.0 21.09 ? 231 A 1 +ATOM 4087 H HG22 . ILE A 1 241 ? -9.772 2.803 -25.6 1.0 21.09 ? 231 A 1 +ATOM 4088 H HG23 . ILE A 1 241 ? -8.303 2.321 -25.235 1.0 21.09 ? 231 A 1 +ATOM 4089 H HD11 . ILE A 1 241 ? -7.793 4.682 -21.594 1.0 23.32 ? 231 A 1 +ATOM 4090 H HD12 . ILE A 1 241 ? -9.195 4.928 -22.3 1.0 23.32 ? 231 A 1 +ATOM 4091 H HD13 . ILE A 1 241 ? -8.627 3.451 -22.156 1.0 23.32 ? 231 A 1 +ATOM 4092 N N . PRO A 1 242 ? -8.156 3.593 -28.354 1.0 15.24 ? 232 A 1 +ATOM 4093 C CA . PRO A 1 242 ? -8.876 3.44 -29.618 1.0 15.24 ? 232 A 1 +ATOM 4094 C C . PRO A 1 242 ? -10.233 2.797 -29.394 1.0 18.0 ? 232 A 1 +ATOM 4095 O O . PRO A 1 242 ? -10.397 1.848 -28.598 1.0 17.3 ? 232 A 1 +ATOM 4096 C CB . PRO A 1 242 ? -7.983 2.515 -30.454 1.0 17.99 ? 232 A 1 +ATOM 4097 C CG . PRO A 1 242 ? -6.614 2.638 -29.852 1.0 20.56 ? 232 A 1 +ATOM 4098 C CD . PRO A 1 242 ? -6.808 2.983 -28.393 1.0 16.65 ? 232 A 1 +ATOM 4099 H HA . PRO A 1 242 ? -8.965 4.301 -30.056 1.0 18.28 ? 232 A 1 +ATOM 4100 H HB2 . PRO A 1 242 ? -8.307 1.603 -30.395 1.0 21.59 ? 232 A 1 +ATOM 4101 H HB3 . PRO A 1 242 ? -7.982 2.807 -31.379 1.0 21.59 ? 232 A 1 +ATOM 4102 H HG2 . PRO A 1 242 ? -6.144 1.794 -29.942 1.0 24.67 ? 232 A 1 +ATOM 4103 H HG3 . PRO A 1 242 ? -6.122 3.34 -30.305 1.0 24.67 ? 232 A 1 +ATOM 4104 H HD2 . PRO A 1 242 ? -6.777 2.184 -27.843 1.0 19.97 ? 232 A 1 +ATOM 4105 H HD3 . PRO A 1 242 ? -6.136 3.616 -28.097 1.0 19.97 ? 232 A 1 +ATOM 4106 N N . HIS A 1 243 ? -11.218 3.288 -30.151 1.0 18.03 ? 233 A 1 +ATOM 4107 C CA . HIS A 1 243 ? -12.582 2.813 -30.066 1.0 15.88 ? 233 A 1 +ATOM 4108 C C . HIS A 1 243 ? -12.948 2.056 -31.334 1.0 19.0 ? 233 A 1 +ATOM 4109 O O . HIS A 1 243 ? -12.697 2.538 -32.452 1.0 18.08 ? 233 A 1 +ATOM 4110 C CB . HIS A 1 243 ? -13.514 3.979 -29.882 1.0 16.39 ? 233 A 1 +ATOM 4111 C CG . HIS A 1 243 ? -14.917 3.594 -29.603 1.0 16.16 ? 233 A 1 +ATOM 4112 N ND1 . HIS A 1 243 ? -15.678 2.871 -30.499 1.0 18.51 ? 233 A 1 +ATOM 4113 C CD2 . HIS A 1 243 ? -15.711 3.87 -28.553 1.0 16.48 ? 233 A 1 +ATOM 4114 C CE1 . HIS A 1 243 ? -16.883 2.703 -29.982 1.0 18.47 ? 233 A 1 +ATOM 4115 N NE2 . HIS A 1 243 ? -16.907 3.27 -28.793 1.0 18.01 ? 233 A 1 +ATOM 4116 H H . HIS A 1 243 ? -11.109 3.912 -30.732 1.0 21.63 ? 233 A 1 +ATOM 4117 H HA . HIS A 1 243 ? -12.678 2.211 -29.312 1.0 19.06 ? 233 A 1 +ATOM 4118 H HB2 . HIS A 1 243 ? -13.2 4.512 -29.134 1.0 19.67 ? 233 A 1 +ATOM 4119 H HB3 . HIS A 1 243 ? -13.51 4.511 -30.693 1.0 19.67 ? 233 A 1 +ATOM 4120 H HD2 . HIS A 1 243 ? -15.484 4.376 -27.806 1.0 19.78 ? 233 A 1 +ATOM 4121 H HE1 . HIS A 1 243 ? -17.593 2.261 -30.389 1.0 22.16 ? 233 A 1 +ATOM 4122 H HE2 . HIS A 1 243 ? -17.575 3.261 -28.251 1.0 21.61 ? 233 A 1 +ATOM 4123 N N . PRO A 1 244 ? -13.495 0.833 -31.243 1.0 18.66 ? 234 A 1 +ATOM 4124 C CA . PRO A 1 244 ? -13.684 0.0 -32.434 1.0 19.82 ? 234 A 1 +ATOM 4125 C C . PRO A 1 244 ? -14.649 0.547 -33.446 1.0 18.7 ? 234 A 1 +ATOM 4126 O O . PRO A 1 244 ? -14.607 0.108 -34.587 1.0 20.9 ? 234 A 1 +ATOM 4127 C CB . PRO A 1 244 ? -14.175 -1.326 -31.851 1.0 24.06 ? 234 A 1 +ATOM 4128 C CG . PRO A 1 244 ? -14.721 -0.987 -30.51 1.0 27.14 ? 234 A 1 +ATOM 4129 C CD . PRO A 1 244 ? -13.855 0.141 -29.988 1.0 18.39 ? 234 A 1 +ATOM 4130 H HA . PRO A 1 244 ? -12.828 -0.129 -32.872 1.0 23.78 ? 234 A 1 +ATOM 4131 H HB2 . PRO A 1 244 ? -14.865 -1.7 -32.421 1.0 28.88 ? 234 A 1 +ATOM 4132 H HB3 . PRO A 1 244 ? -13.434 -1.947 -31.777 1.0 28.88 ? 234 A 1 +ATOM 4133 H HG2 . PRO A 1 244 ? -15.645 -0.702 -30.594 1.0 32.57 ? 234 A 1 +ATOM 4134 H HG3 . PRO A 1 244 ? -14.665 -1.761 -29.928 1.0 32.57 ? 234 A 1 +ATOM 4135 H HD2 . PRO A 1 244 ? -14.355 0.724 -29.395 1.0 22.07 ? 234 A 1 +ATOM 4136 H HD3 . PRO A 1 244 ? -13.068 -0.199 -29.534 1.0 22.07 ? 234 A 1 +ATOM 4137 N N . ASP A 1 245 ? -15.549 1.44 -33.083 1.0 19.17 ? 235 A 1 +ATOM 4138 C CA . ASP A 1 245 ? -16.542 1.964 -33.999 1.0 21.21 ? 235 A 1 +ATOM 4139 C C . ASP A 1 245 ? -16.154 3.342 -34.487 1.0 20.76 ? 235 A 1 +ATOM 4140 O O . ASP A 1 245 ? -17.042 4.16 -34.742 1.0 22.47 ? 235 A 1 +ATOM 4141 C CB . ASP A 1 245 ? -17.913 1.963 -33.341 1.0 21.94 ? 235 A 1 +ATOM 4142 C CG . ASP A 1 245 ? -18.372 0.562 -32.955 1.0 24.64 ? 235 A 1 +ATOM 4143 O OD1 . ASP A 1 245 ? -18.132 -0.375 -33.757 1.0 31.79 ? 235 A 1 +ATOM 4144 O OD2 . ASP A 1 245 ? -18.962 0.402 -31.892 1.0 29.64 ? 235 A 1 +ATOM 4145 H H . ASP A 1 245 ? -15.606 1.767 -32.289 1.0 23.0 ? 235 A 1 +ATOM 4146 H HA . ASP A 1 245 ? -16.608 1.389 -34.778 1.0 25.46 ? 235 A 1 +ATOM 4147 H HB2 . ASP A 1 245 ? -17.878 2.501 -32.535 1.0 26.33 ? 235 A 1 +ATOM 4148 H HB3 . ASP A 1 245 ? -18.562 2.333 -33.959 1.0 26.33 ? 235 A 1 +ATOM 4149 N N . THR A 1 246 ? -14.858 3.585 -34.649 1.0 18.56 ? 236 A 1 +ATOM 4150 C CA . THR A 1 246 ? -14.325 4.853 -35.125 1.0 17.21 ? 236 A 1 +ATOM 4151 C C . THR A 1 246 ? -13.248 4.612 -36.156 1.0 17.7 ? 236 A 1 +ATOM 4152 O O . THR A 1 246 ? -12.703 3.498 -36.215 1.0 18.86 ? 236 A 1 +ATOM 4153 C CB . THR A 1 246 ? -13.697 5.685 -34.011 1.0 17.5 ? 236 A 1 +ATOM 4154 O OG1 . THR A 1 246 ? -12.445 5.081 -33.589 1.0 17.49 ? 236 A 1 +ATOM 4155 C CG2 . THR A 1 246 ? -14.633 5.876 -32.819 1.0 16.05 ? 236 A 1 +ATOM 4156 H H . THR A 1 246 ? -14.243 3.008 -34.483 1.0 22.27 ? 236 A 1 +ATOM 4157 H HA . THR A 1 246 ? -15.072 5.341 -35.505 1.0 20.65 ? 236 A 1 +ATOM 4158 H HB . THR A 1 246 ? -13.52 6.574 -34.356 1.0 21.01 ? 236 A 1 +ATOM 4159 H HG1 . THR A 1 246 ? -12.58 4.294 -33.327 1.0 20.99 ? 236 A 1 +ATOM 4160 H HG21 . THR A 1 246 ? -14.192 6.398 -32.131 1.0 19.26 ? 236 A 1 +ATOM 4161 H HG22 . THR A 1 246 ? -15.437 6.34 -33.1 1.0 19.26 ? 236 A 1 +ATOM 4162 H HG23 . THR A 1 246 ? -14.88 5.013 -32.45 1.0 19.26 ? 236 A 1 +ATOM 4163 N N . PRO A 1 247 ? -12.846 5.631 -36.924 1.0 17.76 ? 237 A 1 +ATOM 4164 C CA . PRO A 1 247 ? -11.785 5.453 -37.897 1.0 18.52 ? 237 A 1 +ATOM 4165 C C . PRO A 1 247 ? -10.441 5.123 -37.324 1.0 17.62 ? 237 A 1 +ATOM 4166 O O . PRO A 1 247 ? -9.593 4.616 -38.052 1.0 18.86 ? 237 A 1 +ATOM 4167 C CB . PRO A 1 247 ? -11.772 6.789 -38.65 1.0 20.65 ? 237 A 1 +ATOM 4168 C CG . PRO A 1 247 ? -13.162 7.373 -38.462 1.0 19.0 ? 237 A 1 +ATOM 4169 C CD . PRO A 1 247 ? -13.526 6.943 -37.089 1.0 18.59 ? 237 A 1 +ATOM 4170 H HA . PRO A 1 247 ? -12.031 4.74 -38.507 1.0 22.22 ? 237 A 1 +ATOM 4171 H HB2 . PRO A 1 247 ? -11.098 7.373 -38.269 1.0 24.78 ? 237 A 1 +ATOM 4172 H HB3 . PRO A 1 247 ? -11.586 6.635 -39.589 1.0 24.78 ? 237 A 1 +ATOM 4173 H HG2 . PRO A 1 247 ? -13.135 8.34 -38.534 1.0 22.79 ? 237 A 1 +ATOM 4174 H HG3 . PRO A 1 247 ? -13.774 7.008 -39.121 1.0 22.79 ? 237 A 1 +ATOM 4175 H HD2 . PRO A 1 247 ? -13.202 7.581 -36.434 1.0 22.3 ? 237 A 1 +ATOM 4176 H HD3 . PRO A 1 247 ? -14.488 6.842 -37.006 1.0 22.3 ? 237 A 1 +ATOM 4177 N N . LEU A 1 248 ? -10.246 5.364 -36.04 1.0 17.12 ? 238 A 1 +ATOM 4178 C CA . LEU A 1 248 ? -8.978 5.094 -35.366 1.0 16.7 ? 238 A 1 +ATOM 4179 C C . LEU A 1 248 ? -8.944 3.743 -34.654 1.0 17.55 ? 238 A 1 +ATOM 4180 O O . LEU A 1 248 ? -8.006 3.485 -33.86 1.0 17.33 ? 238 A 1 +ATOM 4181 C CB . LEU A 1 248 ? -8.631 6.225 -34.429 1.0 16.52 ? 238 A 1 +ATOM 4182 C CG . LEU A 1 248 ? -8.634 7.625 -35.088 1.0 16.67 ? 238 A 1 +ATOM 4183 C CD1 . LEU A 1 248 ? -8.211 8.644 -34.073 1.0 17.58 ? 238 A 1 +ATOM 4184 C CD2 . LEU A 1 248 ? -7.797 7.677 -36.357 1.0 17.65 ? 238 A 1 +ATOM 4185 H H . LEU A 1 248 ? -10.846 5.694 -35.52 1.0 20.55 ? 238 A 1 +ATOM 4186 H HA . LEU A 1 248 ? -8.278 5.059 -36.037 1.0 20.04 ? 238 A 1 +ATOM 4187 H HB2 . LEU A 1 248 ? -9.279 6.238 -33.708 1.0 19.83 ? 238 A 1 +ATOM 4188 H HB3 . LEU A 1 248 ? -7.742 6.069 -34.074 1.0 19.83 ? 238 A 1 +ATOM 4189 H HG . LEU A 1 248 ? -9.533 7.841 -35.382 1.0 20.01 ? 238 A 1 +ATOM 4190 H HD11 . LEU A 1 248 ? -8.319 9.53 -34.452 1.0 21.09 ? 238 A 1 +ATOM 4191 H HD12 . LEU A 1 248 ? -8.766 8.551 -33.283 1.0 21.09 ? 238 A 1 +ATOM 4192 H HD13 . LEU A 1 248 ? -7.281 8.493 -33.844 1.0 21.09 ? 238 A 1 +ATOM 4193 H HD21 . LEU A 1 248 ? -7.714 8.6 -36.643 1.0 21.18 ? 238 A 1 +ATOM 4194 H HD22 . LEU A 1 248 ? -6.919 7.308 -36.172 1.0 21.18 ? 238 A 1 +ATOM 4195 H HD23 . LEU A 1 248 ? -8.236 7.155 -37.047 1.0 21.18 ? 238 A 1 +ATOM 4196 N N . ALA A 1 249 ? -9.899 2.868 -34.944 1.0 17.9 ? 239 A 1 +ATOM 4197 C CA . ALA A 1 249 ? -10.007 1.581 -34.245 1.0 18.72 ? 239 A 1 +ATOM 4198 C C . ALA A 1 249 ? -8.712 0.779 -34.179 1.0 18.96 ? 239 A 1 +ATOM 4199 O O . ALA A 1 249 ? -8.478 0.118 -33.169 1.0 19.36 ? 239 A 1 +ATOM 4200 C CB . ALA A 1 249 ? -11.066 0.713 -34.959 1.0 21.07 ? 239 A 1 +ATOM 4201 H H . ALA A 1 249 ? -10.504 2.989 -35.543 1.0 21.48 ? 239 A 1 +ATOM 4202 H HA . ALA A 1 249 ? -10.261 1.786 -33.332 1.0 22.47 ? 239 A 1 +ATOM 4203 H HB1 . ALA A 1 249 ? -11.122 -0.147 -34.515 1.0 25.29 ? 239 A 1 +ATOM 4204 H HB2 . ALA A 1 249 ? -11.925 1.163 -34.917 1.0 25.29 ? 239 A 1 +ATOM 4205 H HB3 . ALA A 1 249 ? -10.803 0.59 -35.885 1.0 25.29 ? 239 A 1 +ATOM 4206 N N . ASN A 1 250 ? -7.893 0.816 -35.201 1.0 19.63 ? 240 A 1 +ATOM 4207 C CA . ASN A 1 250 ? -6.754 -0.072 -35.315 1.0 19.81 ? 240 A 1 +ATOM 4208 C C . ASN A 1 250 ? -5.443 0.62 -34.967 1.0 18.45 ? 240 A 1 +ATOM 4209 O O . ASN A 1 250 ? -4.376 0.029 -35.141 1.0 20.87 ? 240 A 1 +ATOM 4210 C CB . ASN A 1 250 ? -6.724 -0.698 -36.7 1.0 21.13 ? 240 A 1 +ATOM 4211 C CG . ASN A 1 250 ? -7.967 -1.496 -36.98 1.0 38.32 ? 240 A 1 +ATOM 4212 O OD1 . ASN A 1 250 ? -8.429 -2.262 -36.131 1.0 38.14 ? 240 A 1 +ATOM 4213 N ND2 . ASN A 1 250 ? -8.534 -1.32 -38.167 1.0 45.1 ? 240 A 1 +ATOM 4214 H H . ASN A 1 250 ? -7.974 1.36 -35.862 1.0 23.55 ? 240 A 1 +ATOM 4215 H HA . ASN A 1 250 ? -6.849 -0.805 -34.687 1.0 23.77 ? 240 A 1 +ATOM 4216 H HB2 . ASN A 1 250 ? -6.657 0.004 -37.366 1.0 25.36 ? 240 A 1 +ATOM 4217 H HB3 . ASN A 1 250 ? -5.96 -1.292 -36.766 1.0 25.36 ? 240 A 1 +ATOM 4218 H HD21 . ASN A 1 250 ? -9.247 -1.754 -38.372 1.0 54.12 ? 240 A 1 +ATOM 4219 H HD22 . ASN A 1 250 ? -8.188 -0.77 -38.731 1.0 54.12 ? 240 A 1 +ATOM 4220 N N . GLU A 1 251 ? -5.508 1.844 -34.472 1.0 17.48 ? 241 A 1 +ATOM 4221 C CA . GLU A 1 251 ? -4.313 2.597 -34.114 1.0 17.72 ? 241 A 1 +ATOM 4222 C C . GLU A 1 251 ? -3.775 2.162 -32.745 1.0 16.8 ? 241 A 1 +ATOM 4223 O O . GLU A 1 251 ? -4.451 1.498 -31.95 1.0 18.35 ? 241 A 1 +ATOM 4224 C CB . GLU A 1 251 ? -4.607 4.108 -34.149 1.0 17.52 ? 241 A 1 +ATOM 4225 C CG . GLU A 1 251 ? -5.101 4.568 -35.531 1.0 20.62 ? 241 A 1 +ATOM 4226 C CD . GLU A 1 251 ? -4.025 4.5 -36.567 1.0 30.05 ? 241 A 1 +ATOM 4227 O OE1 . GLU A 1 251 ? -2.863 4.825 -36.284 1.0 25.86 ? 241 A 1 +ATOM 4228 O OE2 . GLU A 1 251 ? -4.354 4.143 -37.723 1.0 45.44 ? 241 A 1 +ATOM 4229 H H . GLU A 1 251 ? -6.242 2.27 -34.33 1.0 20.98 ? 241 A 1 +ATOM 4230 H HA . GLU A 1 251 ? -3.609 2.422 -34.758 1.0 21.26 ? 241 A 1 +ATOM 4231 H HB2 . GLU A 1 251 ? -5.294 4.313 -33.496 1.0 21.02 ? 241 A 1 +ATOM 4232 H HB3 . GLU A 1 251 ? -3.794 4.595 -33.939 1.0 21.02 ? 241 A 1 +ATOM 4233 H HG2 . GLU A 1 251 ? -5.831 3.996 -35.815 1.0 24.74 ? 241 A 1 +ATOM 4234 H HG3 . GLU A 1 251 ? -5.405 5.487 -35.471 1.0 24.74 ? 241 A 1 +ATOM 4235 N N . LYS A 1 252 ? -2.524 2.544 -32.488 1.0 16.9 ? 242 A 1 +ATOM 4236 C CA . LYS A 1 252 ? -1.917 2.232 -31.192 1.0 16.43 ? 242 A 1 +ATOM 4237 C C . LYS A 1 252 ? -2.642 2.952 -30.059 1.0 16.79 ? 242 A 1 +ATOM 4238 O O . LYS A 1 252 ? -3.082 4.098 -30.167 1.0 17.7 ? 242 A 1 +ATOM 4239 C CB . LYS A 1 252 ? -0.478 2.702 -31.189 1.0 16.72 ? 242 A 1 +ATOM 4240 C CG . LYS A 1 252 ? 0.429 1.903 -32.052 1.0 19.69 ? 242 A 1 +ATOM 4241 C CD . LYS A 1 252 ? 1.806 2.537 -32.04 1.0 22.35 ? 242 A 1 +ATOM 4242 C CE . LYS A 1 252 ? 2.862 1.655 -32.723 1.0 28.53 ? 242 A 1 +ATOM 4243 N NZ . LYS A 1 252 ? 4.186 2.361 -32.767 1.0 34.97 ? 242 A 1 +ATOM 4244 H H . LYS A 1 252 ? -2.017 2.975 -33.032 1.0 20.28 ? 242 A 1 +ATOM 4245 H HA . LYS A 1 252 ? -1.965 1.275 -31.047 1.0 19.71 ? 242 A 1 +ATOM 4246 H HB2 . LYS A 1 252 ? -0.45 3.618 -31.505 1.0 20.06 ? 242 A 1 +ATOM 4247 H HB3 . LYS A 1 252 ? -0.138 2.653 -30.282 1.0 20.06 ? 242 A 1 +ATOM 4248 H HG2 . LYS A 1 252 ? 0.496 0.996 -31.712 1.0 23.62 ? 242 A 1 +ATOM 4249 H HG3 . LYS A 1 252 ? 0.094 1.891 -32.962 1.0 23.62 ? 242 A 1 +ATOM 4250 H HD2 . LYS A 1 252 ? 1.77 3.384 -32.511 1.0 26.82 ? 242 A 1 +ATOM 4251 H HD3 . LYS A 1 252 ? 2.082 2.68 -31.121 1.0 26.82 ? 242 A 1 +ATOM 4252 H HE2 . LYS A 1 252 ? 2.968 0.829 -32.225 1.0 34.24 ? 242 A 1 +ATOM 4253 H HE3 . LYS A 1 252 ? 2.585 1.461 -33.632 1.0 34.24 ? 242 A 1 +ATOM 4254 H HZ1 . LYS A 1 252 ? 4.791 1.849 -33.172 1.0 41.96 ? 242 A 1 +ATOM 4255 H HZ2 . LYS A 1 252 ? 4.109 3.126 -33.216 1.0 41.96 ? 242 A 1 +ATOM 4256 H HZ3 . LYS A 1 252 ? 4.464 2.538 -31.941 1.0 41.96 ? 242 A 1 +ATOM 4257 N N . LYS A 1 253 ? -2.772 2.235 -28.945 1.0 16.27 ? 243 A 1 +ATOM 4258 C CA . LYS A 1 253 ? -3.218 2.835 -27.69 1.0 15.4 ? 243 A 1 +ATOM 4259 C C . LYS A 1 253 ? -2.126 3.736 -27.115 1.0 15.11 ? 243 A 1 +ATOM 4260 O O . LYS A 1 253 ? -0.943 3.455 -27.277 1.0 16.75 ? 243 A 1 +ATOM 4261 C CB . LYS A 1 253 ? -3.553 1.691 -26.72 1.0 17.63 ? 243 A 1 +ATOM 4262 C CG . LYS A 1 253 ? -4.25 2.125 -25.474 1.0 18.9 ? 243 A 1 +ATOM 4263 C CD . LYS A 1 253 ? -4.553 0.913 -24.513 1.0 23.8 ? 243 A 1 +ATOM 4264 C CE . LYS A 1 253 ? -5.422 -0.088 -25.169 1.0 25.12 ? 243 A 1 +ATOM 4265 N NZ . LYS A 1 253 ? -5.796 -1.205 -24.195 1.0 23.31 ? 243 A 1 +ATOM 4266 H H . LYS A 1 253 ? -2.607 1.393 -28.889 1.0 19.53 ? 243 A 1 +ATOM 4267 H HA . LYS A 1 253 ? -4.005 3.388 -27.816 1.0 18.48 ? 243 A 1 +ATOM 4268 H HB2 . LYS A 1 253 ? -4.131 1.059 -27.175 1.0 21.15 ? 243 A 1 +ATOM 4269 H HB3 . LYS A 1 253 ? -2.727 1.256 -26.458 1.0 21.15 ? 243 A 1 +ATOM 4270 H HG2 . LYS A 1 253 ? -3.688 2.756 -24.997 1.0 22.68 ? 243 A 1 +ATOM 4271 H HG3 . LYS A 1 253 ? -5.093 2.544 -25.709 1.0 22.68 ? 243 A 1 +ATOM 4272 H HD2 . LYS A 1 253 ? -3.72 0.481 -24.267 1.0 28.56 ? 243 A 1 +ATOM 4273 H HD3 . LYS A 1 253 ? -5.005 1.237 -23.718 1.0 28.56 ? 243 A 1 +ATOM 4274 H HE2 . LYS A 1 253 ? -6.237 0.341 -25.472 1.0 30.14 ? 243 A 1 +ATOM 4275 H HE3 . LYS A 1 253 ? -4.953 -0.48 -25.922 1.0 30.14 ? 243 A 1 +ATOM 4276 H HZ1 . LYS A 1 253 ? -6.328 -1.794 -24.597 1.0 27.98 ? 243 A 1 +ATOM 4277 H HZ2 . LYS A 1 253 ? -5.061 -1.623 -23.915 1.0 27.98 ? 243 A 1 +ATOM 4278 H HZ3 . LYS A 1 253 ? -6.221 -0.866 -23.49 1.0 27.98 ? 243 A 1 +ATOM 4279 N N . GLY A 1 254 ? -2.512 4.79 -26.427 1.0 15.31 ? 244 A 1 +ATOM 4280 C CA . GLY A 1 254 ? -1.524 5.622 -25.731 1.0 15.71 ? 244 A 1 +ATOM 4281 C C . GLY A 1 254 ? -0.825 4.861 -24.622 1.0 14.49 ? 244 A 1 +ATOM 4282 O O . GLY A 1 254 ? -1.372 3.906 -24.043 1.0 18.19 ? 244 A 1 +ATOM 4283 H H . GLY A 1 254 ? -3.327 5.053 -26.343 1.0 18.37 ? 244 A 1 +ATOM 4284 H HA2 . GLY A 1 254 ? -0.856 5.927 -26.364 1.0 18.85 ? 244 A 1 +ATOM 4285 H HA3 . GLY A 1 254 ? -1.967 6.393 -25.343 1.0 18.85 ? 244 A 1 +ATOM 4286 N N . ASP A 1 255 ? 0.398 5.252 -24.372 1.0 15.17 ? 245 A 1 +ATOM 4287 C CA . ASP A 1 255 ? 1.233 4.543 -23.409 1.0 14.38 ? 245 A 1 +ATOM 4288 C C . ASP A 1 255 ? 1.019 5.103 -22.0 1.0 16.17 ? 245 A 1 +ATOM 4289 O O . ASP A 1 255 ? 1.125 6.307 -21.769 1.0 15.44 ? 245 A 1 +ATOM 4290 C CB . ASP A 1 255 ? 2.679 4.727 -23.805 1.0 16.68 ? 245 A 1 +ATOM 4291 C CG . ASP A 1 255 ? 3.634 3.93 -22.931 1.0 20.07 ? 245 A 1 +ATOM 4292 O OD1 . ASP A 1 255 ? 3.683 2.674 -23.058 1.0 21.65 ? 245 A 1 +ATOM 4293 O OD2 . ASP A 1 255 ? 4.324 4.589 -22.096 1.0 20.45 ? 245 A 1 +ATOM 4294 H H . ASP A 1 255 ? 0.778 5.928 -24.744 1.0 18.2 ? 245 A 1 +ATOM 4295 H HA . ASP A 1 255 ? 1.0 3.601 -23.395 1.0 17.26 ? 245 A 1 +ATOM 4296 H HB2 . ASP A 1 255 ? 2.796 4.433 -24.722 1.0 20.01 ? 245 A 1 +ATOM 4297 H HB3 . ASP A 1 255 ? 2.912 5.665 -23.725 1.0 20.01 ? 245 A 1 +ATOM 4298 N N . PHE A 1 256 ? 0.753 4.218 -21.038 1.0 15.31 ? 246 A 1 +ATOM 4299 C CA . PHE A 1 256 ? 0.506 4.644 -19.661 1.0 14.17 ? 246 A 1 +ATOM 4300 C C . PHE A 1 256 ? 1.694 5.378 -19.055 1.0 14.67 ? 246 A 1 +ATOM 4301 O O . PHE A 1 256 ? 1.531 6.459 -18.46 1.0 14.5 ? 246 A 1 +ATOM 4302 C CB . PHE A 1 256 ? 0.12 3.437 -18.816 1.0 15.82 ? 246 A 1 +ATOM 4303 C CG . PHE A 1 256 ? -0.117 3.779 -17.373 1.0 15.26 ? 246 A 1 +ATOM 4304 C CD1 . PHE A 1 256 ? -1.219 4.459 -17.007 1.0 16.33 ? 246 A 1 +ATOM 4305 C CD2 . PHE A 1 256 ? 0.787 3.434 -16.387 1.0 17.92 ? 246 A 1 +ATOM 4306 C CE1 . PHE A 1 256 ? -1.493 4.733 -15.647 1.0 17.91 ? 246 A 1 +ATOM 4307 C CE2 . PHE A 1 256 ? 0.547 3.681 -15.037 1.0 17.32 ? 246 A 1 +ATOM 4308 C CZ . PHE A 1 256 ? -0.574 4.371 -14.682 1.0 17.21 ? 246 A 1 +ATOM 4309 H H . PHE A 1 256 ? 0.71 3.368 -21.156 1.0 18.37 ? 246 A 1 +ATOM 4310 H HA . PHE A 1 256 ? -0.234 5.271 -19.664 1.0 17.01 ? 246 A 1 +ATOM 4311 H HB2 . PHE A 1 256 ? -0.697 3.053 -19.17 1.0 18.98 ? 246 A 1 +ATOM 4312 H HB3 . PHE A 1 256 ? 0.837 2.784 -18.854 1.0 18.98 ? 246 A 1 +ATOM 4313 H HD1 . PHE A 1 256 ? -1.812 4.754 -17.66 1.0 19.6 ? 246 A 1 +ATOM 4314 H HD2 . PHE A 1 256 ? 1.584 3.022 -16.633 1.0 21.5 ? 246 A 1 +ATOM 4315 H HE1 . PHE A 1 256 ? -2.286 5.154 -15.404 1.0 21.49 ? 246 A 1 +ATOM 4316 H HE2 . PHE A 1 256 ? 1.142 3.381 -14.388 1.0 20.78 ? 246 A 1 +ATOM 4317 H HZ . PHE A 1 256 ? -0.72 4.597 -13.792 1.0 20.65 ? 246 A 1 +ATOM 4318 N N . THR A 1 257 ? 2.889 4.834 -19.183 1.0 15.69 ? 247 A 1 +ATOM 4319 C CA . THR A 1 257 ? 4.035 5.488 -18.551 1.0 14.95 ? 247 A 1 +ATOM 4320 C C . THR A 1 257 ? 4.276 6.867 -19.123 1.0 15.91 ? 247 A 1 +ATOM 4321 O O . THR A 1 257 ? 4.545 7.821 -18.378 1.0 15.14 ? 247 A 1 +ATOM 4322 C CB . THR A 1 257 ? 5.261 4.599 -18.665 1.0 16.91 ? 247 A 1 +ATOM 4323 O OG1 . THR A 1 257 ? 4.986 3.369 -17.977 1.0 20.37 ? 247 A 1 +ATOM 4324 C CG2 . THR A 1 257 ? 6.48 5.236 -18.01 1.0 20.05 ? 247 A 1 +ATOM 4325 H H . THR A 1 257 ? 3.066 4.111 -19.614 1.0 18.83 ? 247 A 1 +ATOM 4326 H HA . THR A 1 257 ? 3.85 5.608 -17.607 1.0 17.94 ? 247 A 1 +ATOM 4327 H HB . THR A 1 257 ? 5.463 4.452 -19.603 1.0 20.3 ? 247 A 1 +ATOM 4328 H HG1 . THR A 1 257 ? 4.304 3.003 -18.304 1.0 24.44 ? 247 A 1 +ATOM 4329 H HG21 . THR A 1 257 ? 7.206 4.594 -17.965 1.0 24.06 ? 247 A 1 +ATOM 4330 H HG22 . THR A 1 257 ? 6.771 6.004 -18.527 1.0 24.06 ? 247 A 1 +ATOM 4331 H HG23 . THR A 1 257 ? 6.26 5.527 -17.111 1.0 24.06 ? 247 A 1 +ATOM 4332 N N . LEU A 1 258 ? 4.24 6.997 -20.457 1.0 15.0 ? 248 A 1 +ATOM 4333 C CA . LEU A 1 258 ? 4.396 8.313 -21.073 1.0 14.64 ? 248 A 1 +ATOM 4334 C C . LEU A 1 258 ? 3.337 9.274 -20.57 1.0 14.41 ? 248 A 1 +ATOM 4335 O O . LEU A 1 258 ? 3.629 10.455 -20.309 1.0 14.18 ? 248 A 1 +ATOM 4336 C CB . LEU A 1 258 ? 4.36 8.147 -22.599 1.0 16.17 ? 248 A 1 +ATOM 4337 C CG . LEU A 1 258 ? 4.684 9.407 -23.355 1.0 17.56 ? 248 A 1 +ATOM 4338 C CD1 . LEU A 1 258 ? 6.05 9.908 -23.067 1.0 19.07 ? 248 A 1 +ATOM 4339 C CD2 . LEU A 1 258 ? 4.542 9.074 -24.869 1.0 18.55 ? 248 A 1 +ATOM 4340 H H . LEU A 1 258 ? 4.13 6.35 -21.013 1.0 18.0 ? 248 A 1 +ATOM 4341 H HA . LEU A 1 258 ? 5.253 8.702 -20.839 1.0 17.57 ? 248 A 1 +ATOM 4342 H HB2 . LEU A 1 258 ? 5.01 7.473 -22.853 1.0 19.41 ? 248 A 1 +ATOM 4343 H HB3 . LEU A 1 258 ? 3.47 7.864 -22.86 1.0 19.41 ? 248 A 1 +ATOM 4344 H HG . LEU A 1 258 ? 4.081 10.118 -23.089 1.0 21.07 ? 248 A 1 +ATOM 4345 H HD11 . LEU A 1 258 ? 6.272 10.605 -23.704 1.0 22.89 ? 248 A 1 +ATOM 4346 H HD12 . LEU A 1 258 ? 6.071 10.265 -22.165 1.0 22.89 ? 248 A 1 +ATOM 4347 H HD13 . LEU A 1 258 ? 6.679 9.174 -23.147 1.0 22.89 ? 248 A 1 +ATOM 4348 H HD21 . LEU A 1 258 ? 4.799 9.852 -25.388 1.0 22.25 ? 248 A 1 +ATOM 4349 H HD22 . LEU A 1 258 ? 5.121 8.326 -25.083 1.0 22.25 ? 248 A 1 +ATOM 4350 H HD23 . LEU A 1 258 ? 3.619 8.842 -25.056 1.0 22.25 ? 248 A 1 +ATOM 4351 N N . THR A 1 259 ? 2.102 8.812 -20.442 1.0 13.96 ? 249 A 1 +ATOM 4352 C CA . THR A 1 259 ? 1.031 9.684 -19.949 1.0 13.04 ? 249 A 1 +ATOM 4353 C C . THR A 1 259 ? 1.303 10.106 -18.509 1.0 13.95 ? 249 A 1 +ATOM 4354 O O . THR A 1 259 ? 1.063 11.266 -18.131 1.0 14.18 ? 249 A 1 +ATOM 4355 C CB . THR A 1 259 ? -0.342 8.976 -20.088 1.0 13.73 ? 249 A 1 +ATOM 4356 O OG1 . THR A 1 259 ? -0.531 8.523 -21.444 1.0 15.0 ? 249 A 1 +ATOM 4357 C CG2 . THR A 1 259 ? -1.469 9.903 -19.759 1.0 14.37 ? 249 A 1 +ATOM 4358 H H . THR A 1 259 ? 1.853 8.01 -20.63 1.0 16.76 ? 249 A 1 +ATOM 4359 H HA . THR A 1 259 ? 0.992 10.487 -20.491 1.0 15.64 ? 249 A 1 +ATOM 4360 H HB . THR A 1 259 ? -0.356 8.227 -19.473 1.0 16.48 ? 249 A 1 +ATOM 4361 H HG1 . THR A 1 259 ? 0.049 7.948 -21.639 1.0 18.0 ? 249 A 1 +ATOM 4362 H HG21 . THR A 1 259 ? -2.318 9.472 -19.944 1.0 17.25 ? 249 A 1 +ATOM 4363 H HG22 . THR A 1 259 ? -1.436 10.145 -18.82 1.0 17.25 ? 249 A 1 +ATOM 4364 H HG23 . THR A 1 259 ? -1.402 10.71 -20.294 1.0 17.25 ? 249 A 1 +ATOM 4365 N N . LEU A 1 260 ? 1.734 9.169 -17.68 1.0 13.29 ? 250 A 1 +ATOM 4366 C CA A LEU A 1 260 ? 2.094 9.497 -16.299 0.46 14.02 ? 250 A 1 +ATOM 4367 C CA B LEU A 1 260 ? 2.076 9.497 -16.304 0.54 13.26 ? 250 A 1 +ATOM 4368 C C . LEU A 1 260 ? 3.189 10.542 -16.251 1.0 13.6 ? 250 A 1 +ATOM 4369 O O . LEU A 1 260 ? 3.176 11.455 -15.417 1.0 13.82 ? 250 A 1 +ATOM 4370 C CB A LEU A 1 260 ? 2.632 8.28 -15.556 0.46 16.59 ? 250 A 1 +ATOM 4371 C CB B LEU A 1 260 ? 2.458 8.188 -15.628 0.54 14.93 ? 250 A 1 +ATOM 4372 C CG A LEU A 1 260 ? 1.723 7.31 -14.88 0.46 14.58 ? 250 A 1 +ATOM 4373 C CG B LEU A 1 260 ? 2.6 8.152 -14.155 0.54 13.51 ? 250 A 1 +ATOM 4374 C CD1 A LEU A 1 260 ? 2.632 6.372 -14.11 0.46 18.44 ? 250 A 1 +ATOM 4375 C CD1 B LEU A 1 260 ? 1.315 8.519 -13.511 0.54 14.48 ? 250 A 1 +ATOM 4376 C CD2 A LEU A 1 260 ? 0.774 7.976 -13.882 0.46 13.41 ? 250 A 1 +ATOM 4377 C CD2 B LEU A 1 260 ? 3.002 6.735 -13.797 0.54 18.07 ? 250 A 1 +ATOM 4378 H H A LEU A 1 260 ? 1.829 8.339 -17.884 0.46 15.94 ? 250 A 1 +ATOM 4379 H H B LEU A 1 260 ? 1.837 8.34 -17.885 0.54 15.94 ? 250 A 1 +ATOM 4380 H HA A LEU A 1 260 ? 1.282 9.813 -15.872 0.46 16.82 ? 250 A 1 +ATOM 4381 H HA B LEU A 1 260 ? 1.33 9.889 -15.825 0.54 15.91 ? 250 A 1 +ATOM 4382 H HB2 A LEU A 1 260 ? 3.138 7.76 -16.2 0.46 19.91 ? 250 A 1 +ATOM 4383 H HB2 B LEU A 1 260 ? 1.777 7.536 -15.854 0.54 17.92 ? 250 A 1 +ATOM 4384 H HB3 A LEU A 1 260 ? 3.222 8.614 -14.863 0.46 19.91 ? 250 A 1 +ATOM 4385 H HB3 B LEU A 1 260 ? 3.314 7.913 -15.992 0.54 17.92 ? 250 A 1 +ATOM 4386 H HG A LEU A 1 260 ? 1.166 6.865 -15.538 0.46 17.49 ? 250 A 1 +ATOM 4387 H HG B LEU A 1 260 ? 3.264 8.783 -13.836 0.54 16.22 ? 250 A 1 +ATOM 4388 H HD11 A LEU A 1 260 ? 2.09 5.697 -13.672 0.46 22.12 ? 250 A 1 +ATOM 4389 H HD11 B LEU A 1 260 ? 1.368 8.318 -12.564 0.54 17.38 ? 250 A 1 +ATOM 4390 H HD12 A LEU A 1 260 ? 3.248 5.951 -14.729 0.46 22.12 ? 250 A 1 +ATOM 4391 H HD12 B LEU A 1 260 ? 1.157 9.467 -13.64 0.54 17.38 ? 250 A 1 +ATOM 4392 H HD13 A LEU A 1 260 ? 3.124 6.882 -13.448 0.46 22.12 ? 250 A 1 +ATOM 4393 H HD13 B LEU A 1 260 ? 0.6 8.006 -13.919 0.54 17.38 ? 250 A 1 +ATOM 4394 H HD21 A LEU A 1 260 ? 0.243 7.292 -13.446 0.46 16.09 ? 250 A 1 +ATOM 4395 H HD21 B LEU A 1 260 ? 2.955 6.627 -12.835 0.54 21.69 ? 250 A 1 +ATOM 4396 H HD22 A LEU A 1 260 ? 1.297 8.459 -13.223 0.46 16.09 ? 250 A 1 +ATOM 4397 H HD22 B LEU A 1 260 ? 2.393 6.116 -14.23 0.54 21.69 ? 250 A 1 +ATOM 4398 H HD23 A LEU A 1 260 ? 0.195 8.591 -14.359 0.46 16.09 ? 250 A 1 +ATOM 4399 H HD23 B LEU A 1 260 ? 3.908 6.577 -14.105 0.54 21.69 ? 250 A 1 +ATOM 4400 N N . LYS A 1 261 ? 4.175 10.462 -17.161 1.0 13.56 ? 251 A 1 +ATOM 4401 C CA . LYS A 1 261 ? 5.223 11.451 -17.199 1.0 14.31 ? 251 A 1 +ATOM 4402 C C . LYS A 1 261 ? 4.682 12.817 -17.615 1.0 13.64 ? 251 A 1 +ATOM 4403 O O . LYS A 1 261 ? 5.168 13.86 -17.144 1.0 15.12 ? 251 A 1 +ATOM 4404 C CB . LYS A 1 261 ? 6.342 10.959 -18.133 1.0 15.02 ? 251 A 1 +ATOM 4405 C CG . LYS A 1 261 ? 7.073 9.762 -17.552 1.0 15.81 ? 251 A 1 +ATOM 4406 C CD . LYS A 1 261 ? 8.047 9.12 -18.498 1.0 20.88 ? 251 A 1 +ATOM 4407 C CE . LYS A 1 261 ? 9.182 10.024 -18.769 1.0 20.88 ? 251 A 1 +ATOM 4408 N NZ . LYS A 1 261 ? 10.314 9.281 -19.448 1.0 19.32 ? 251 A 1 +ATOM 4409 H H . LYS A 1 261 ? 4.247 9.844 -17.755 1.0 16.27 ? 251 A 1 +ATOM 4410 H HA . LYS A 1 261 ? 5.611 11.565 -16.318 1.0 17.18 ? 251 A 1 +ATOM 4411 H HB2 . LYS A 1 261 ? 5.956 10.698 -18.983 1.0 18.03 ? 251 A 1 +ATOM 4412 H HB3 . LYS A 1 261 ? 6.984 11.674 -18.265 1.0 18.03 ? 251 A 1 +ATOM 4413 H HG2 . LYS A 1 261 ? 7.569 10.05 -16.77 1.0 18.98 ? 251 A 1 +ATOM 4414 H HG3 . LYS A 1 261 ? 6.42 9.09 -17.302 1.0 18.98 ? 251 A 1 +ATOM 4415 H HD2 . LYS A 1 261 ? 8.391 8.303 -18.106 1.0 25.06 ? 251 A 1 +ATOM 4416 H HD3 . LYS A 1 261 ? 7.602 8.924 -19.338 1.0 25.06 ? 251 A 1 +ATOM 4417 H HE2 . LYS A 1 261 ? 8.892 10.742 -19.353 1.0 25.06 ? 251 A 1 +ATOM 4418 H HE3 . LYS A 1 261 ? 9.511 10.389 -17.933 1.0 25.06 ? 251 A 1 +ATOM 4419 H HZ1 . LYS A 1 261 ? 10.987 9.839 -19.616 1.0 23.19 ? 251 A 1 +ATOM 4420 H HZ2 . LYS A 1 261 ? 10.606 8.625 -18.922 1.0 23.19 ? 251 A 1 +ATOM 4421 H HZ3 . LYS A 1 261 ? 10.031 8.931 -20.216 1.0 23.19 ? 251 A 1 +ATOM 4422 N N . MET A 1 262 ? 3.683 12.837 -18.483 1.0 13.93 ? 252 A 1 +ATOM 4423 C CA . MET A 1 262 ? 3.015 14.096 -18.825 1.0 13.87 ? 252 A 1 +ATOM 4424 C C . MET A 1 262 ? 2.304 14.695 -17.617 1.0 14.71 ? 252 A 1 +ATOM 4425 O O . MET A 1 262 ? 2.336 15.924 -17.432 1.0 14.43 ? 252 A 1 +ATOM 4426 C CB . MET A 1 262 ? 2.059 13.849 -20.0 1.0 13.79 ? 252 A 1 +ATOM 4427 C CG . MET A 1 262 ? 2.76 13.679 -21.33 1.0 14.53 ? 252 A 1 +ATOM 4428 S SD . MET A 1 262 ? 3.473 15.192 -21.987 1.0 15.0 ? 252 A 1 +ATOM 4429 C CE . MET A 1 262 ? 2.023 16.098 -22.437 1.0 16.03 ? 252 A 1 +ATOM 4430 H H . MET A 1 262 ? 3.37 12.146 -18.888 1.0 16.72 ? 252 A 1 +ATOM 4431 H HA . MET A 1 262 ? 3.672 14.747 -19.117 1.0 16.65 ? 252 A 1 +ATOM 4432 H HB2 . MET A 1 262 ? 1.553 13.04 -19.827 1.0 16.55 ? 252 A 1 +ATOM 4433 H HB3 . MET A 1 262 ? 1.457 14.606 -20.078 1.0 16.55 ? 252 A 1 +ATOM 4434 H HG2 . MET A 1 262 ? 3.48 13.038 -21.222 1.0 17.43 ? 252 A 1 +ATOM 4435 H HG3 . MET A 1 262 ? 2.119 13.351 -21.979 1.0 17.43 ? 252 A 1 +ATOM 4436 H HE1 . MET A 1 262 ? 2.288 16.919 -22.88 1.0 19.23 ? 252 A 1 +ATOM 4437 H HE2 . MET A 1 262 ? 1.485 15.557 -23.036 1.0 19.23 ? 252 A 1 +ATOM 4438 H HE3 . MET A 1 262 ? 1.518 16.304 -21.635 1.0 19.23 ? 252 A 1 +ATOM 4439 N N . VAL A 1 263 ? 1.604 13.87 -16.821 1.0 13.26 ? 253 A 1 +ATOM 4440 C CA . VAL A 1 263 ? 0.985 14.375 -15.58 1.0 13.81 ? 253 A 1 +ATOM 4441 C C . VAL A 1 263 ? 2.043 14.928 -14.643 1.0 13.49 ? 253 A 1 +ATOM 4442 O O . VAL A 1 263 ? 1.894 16.024 -14.087 1.0 13.56 ? 253 A 1 +ATOM 4443 C CB . VAL A 1 263 ? 0.188 13.242 -14.914 1.0 14.09 ? 253 A 1 +ATOM 4444 C CG1 . VAL A 1 263 ? -0.233 13.639 -13.49 1.0 14.35 ? 253 A 1 +ATOM 4445 C CG2 . VAL A 1 263 ? -1.034 12.875 -15.759 1.0 14.68 ? 253 A 1 +ATOM 4446 H H . VAL A 1 263 ? 1.475 13.033 -16.971 1.0 15.91 ? 253 A 1 +ATOM 4447 H HA . VAL A 1 263 ? 0.38 15.101 -15.799 1.0 16.57 ? 253 A 1 +ATOM 4448 H HB . VAL A 1 263 ? 0.755 12.458 -14.85 1.0 16.91 ? 253 A 1 +ATOM 4449 H HG11 . VAL A 1 263 ? -0.955 13.059 -13.201 1.0 17.21 ? 253 A 1 +ATOM 4450 H HG12 . VAL A 1 263 ? 0.528 13.541 -12.897 1.0 17.21 ? 253 A 1 +ATOM 4451 H HG13 . VAL A 1 263 ? -0.532 14.562 -13.495 1.0 17.21 ? 253 A 1 +ATOM 4452 H HG21 . VAL A 1 263 ? -1.513 12.152 -15.324 1.0 17.61 ? 253 A 1 +ATOM 4453 H HG22 . VAL A 1 263 ? -1.608 13.652 -15.839 1.0 17.61 ? 253 A 1 +ATOM 4454 H HG23 . VAL A 1 263 ? -0.736 12.592 -16.638 1.0 17.61 ? 253 A 1 +ATOM 4455 N N . ALA A 1 264 ? 3.128 14.189 -14.478 1.0 13.24 ? 254 A 1 +ATOM 4456 C CA . ALA A 1 264 ? 4.172 14.632 -13.558 1.0 13.89 ? 254 A 1 +ATOM 4457 C C . ALA A 1 264 ? 4.764 15.96 -14.026 1.0 14.5 ? 254 A 1 +ATOM 4458 O O . ALA A 1 264 ? 4.978 16.892 -13.219 1.0 14.29 ? 254 A 1 +ATOM 4459 C CB . ALA A 1 264 ? 5.255 13.573 -13.458 1.0 15.04 ? 254 A 1 +ATOM 4460 H H . ALA A 1 264 ? 3.285 13.442 -14.875 1.0 15.89 ? 254 A 1 +ATOM 4461 H HA . ALA A 1 264 ? 3.79 14.757 -12.675 1.0 16.67 ? 254 A 1 +ATOM 4462 H HB1 . ALA A 1 264 ? 5.94 13.878 -12.843 1.0 18.05 ? 254 A 1 +ATOM 4463 H HB2 . ALA A 1 264 ? 4.861 12.748 -13.132 1.0 18.05 ? 254 A 1 +ATOM 4464 H HB3 . ALA A 1 264 ? 5.639 13.431 -14.338 1.0 18.05 ? 254 A 1 +ATOM 4465 N N . LEU A 1 265 ? 5.112 16.062 -15.325 1.0 14.35 ? 255 A 1 +ATOM 4466 C CA . LEU A 1 265 ? 5.688 17.313 -15.832 1.0 14.21 ? 255 A 1 +ATOM 4467 C C . LEU A 1 265 ? 4.687 18.453 -15.748 1.0 14.12 ? 255 A 1 +ATOM 4468 O O . LEU A 1 265 ? 5.082 19.588 -15.47 1.0 15.27 ? 255 A 1 +ATOM 4469 C CB . LEU A 1 265 ? 6.222 17.101 -17.248 1.0 15.48 ? 255 A 1 +ATOM 4470 C CG . LEU A 1 265 ? 7.49 16.254 -17.29 1.0 15.3 ? 255 A 1 +ATOM 4471 C CD1 . LEU A 1 265 ? 7.711 15.739 -18.719 1.0 17.88 ? 255 A 1 +ATOM 4472 C CD2 . LEU A 1 265 ? 8.697 17.088 -16.824 1.0 16.75 ? 255 A 1 +ATOM 4473 H H . LEU A 1 265 ? 5.026 15.439 -15.911 1.0 17.23 ? 255 A 1 +ATOM 4474 H HA . LEU A 1 265 ? 6.449 17.574 -15.289 1.0 17.05 ? 255 A 1 +ATOM 4475 H HB2 . LEU A 1 265 ? 5.543 16.649 -17.774 1.0 18.57 ? 255 A 1 +ATOM 4476 H HB3 . LEU A 1 265 ? 6.425 17.964 -17.64 1.0 18.57 ? 255 A 1 +ATOM 4477 H HG . LEU A 1 265 ? 7.403 15.494 -16.694 1.0 18.36 ? 255 A 1 +ATOM 4478 H HD11 . LEU A 1 265 ? 8.523 15.209 -18.741 1.0 21.45 ? 255 A 1 +ATOM 4479 H HD12 . LEU A 1 265 ? 6.952 15.194 -18.978 1.0 21.45 ? 255 A 1 +ATOM 4480 H HD13 . LEU A 1 265 ? 7.793 16.497 -19.318 1.0 21.45 ? 255 A 1 +ATOM 4481 H HD21 . LEU A 1 265 ? 9.503 16.558 -16.921 1.0 20.1 ? 255 A 1 +ATOM 4482 H HD22 . LEU A 1 265 ? 8.758 17.887 -17.37 1.0 20.1 ? 255 A 1 +ATOM 4483 H HD23 . LEU A 1 265 ? 8.572 17.332 -15.893 1.0 20.1 ? 255 A 1 +ATOM 4484 N N . THR A 1 266 ? 3.412 18.175 -15.922 1.0 14.04 ? 256 A 1 +ATOM 4485 C CA . THR A 1 266 ? 2.374 19.211 -15.77 1.0 13.62 ? 256 A 1 +ATOM 4486 C C . THR A 1 266 ? 2.366 19.751 -14.346 1.0 14.93 ? 256 A 1 +ATOM 4487 O O . THR A 1 266 ? 2.328 20.959 -14.133 1.0 14.95 ? 256 A 1 +ATOM 4488 C CB . THR A 1 266 ? 0.998 18.698 -16.168 1.0 13.62 ? 256 A 1 +ATOM 4489 O OG1 . THR A 1 266 ? 1.018 18.419 -17.578 1.0 14.42 ? 256 A 1 +ATOM 4490 C CG2 . THR A 1 266 ? -0.05 19.773 -15.984 1.0 15.92 ? 256 A 1 +ATOM 4491 H H . THR A 1 266 ? 3.105 17.398 -16.128 1.0 16.85 ? 256 A 1 +ATOM 4492 H HA . THR A 1 266 ? 2.58 19.936 -16.38 1.0 16.34 ? 256 A 1 +ATOM 4493 H HB . THR A 1 266 ? 0.781 17.921 -15.629 1.0 16.34 ? 256 A 1 +ATOM 4494 H HG1 . THR A 1 266 ? 1.557 17.796 -17.74 1.0 17.31 ? 256 A 1 +ATOM 4495 H HG21 . THR A 1 266 ? -0.883 19.499 -16.4 1.0 19.11 ? 256 A 1 +ATOM 4496 H HG22 . THR A 1 266 ? -0.206 19.927 -15.039 1.0 19.11 ? 256 A 1 +ATOM 4497 H HG23 . THR A 1 266 ? 0.248 20.601 -16.393 1.0 19.11 ? 256 A 1 +ATOM 4498 N N . ARG A 1 267 ? 2.428 18.855 -13.343 1.0 13.97 ? 257 A 1 +ATOM 4499 C CA . ARG A 1 267 ? 2.498 19.321 -11.961 1.0 13.87 ? 257 A 1 +ATOM 4500 C C . ARG A 1 267 ? 3.753 20.138 -11.734 1.0 14.8 ? 257 A 1 +ATOM 4501 O O . ARG A 1 267 ? 3.712 21.161 -11.035 1.0 15.04 ? 257 A 1 +ATOM 4502 C CB . ARG A 1 267 ? 2.489 18.12 -11.028 1.0 14.28 ? 257 A 1 +ATOM 4503 C CG . ARG A 1 267 ? 2.825 18.442 -9.536 1.0 15.31 ? 257 A 1 +ATOM 4504 C CD . ARG A 1 267 ? 1.832 19.429 -8.87 1.0 14.48 ? 257 A 1 +ATOM 4505 N NE . ARG A 1 267 ? 0.525 18.827 -8.778 1.0 13.76 ? 257 A 1 +ATOM 4506 C CZ . ARG A 1 267 ? -0.638 19.473 -8.787 1.0 13.65 ? 257 A 1 +ATOM 4507 N NH1 . ARG A 1 267 ? -0.639 20.806 -8.699 1.0 14.84 ? 257 A 1 +ATOM 4508 N NH2 . ARG A 1 267 ? -1.791 18.808 -8.821 1.0 13.98 ? 257 A 1 +ATOM 4509 H H . ARG A 1 267 ? 2.431 18.0 -13.44 1.0 16.77 ? 257 A 1 +ATOM 4510 H HA . ARG A 1 267 ? 1.726 19.876 -11.767 1.0 16.64 ? 257 A 1 +ATOM 4511 H HB2 . ARG A 1 267 ? 1.604 17.723 -11.048 1.0 17.14 ? 257 A 1 +ATOM 4512 H HB3 . ARG A 1 267 ? 3.147 17.481 -11.343 1.0 17.14 ? 257 A 1 +ATOM 4513 H HG2 . ARG A 1 267 ? 2.807 17.617 -9.027 1.0 18.37 ? 257 A 1 +ATOM 4514 H HG3 . ARG A 1 267 ? 3.709 18.84 -9.494 1.0 18.37 ? 257 A 1 +ATOM 4515 H HD2 . ARG A 1 267 ? 2.138 19.647 -7.976 1.0 17.38 ? 257 A 1 +ATOM 4516 H HD3 . ARG A 1 267 ? 1.766 20.236 -9.404 1.0 17.38 ? 257 A 1 +ATOM 4517 H HE . ARG A 1 267 ? 0.494 17.97 -8.711 1.0 16.51 ? 257 A 1 +ATOM 4518 H HH11 . ARG A 1 267 ? 0.105 21.234 -8.638 1.0 17.81 ? 257 A 1 +ATOM 4519 H HH12 . ARG A 1 267 ? -1.383 21.237 -8.704 1.0 17.81 ? 257 A 1 +ATOM 4520 H HH21 . ARG A 1 267 ? -1.792 17.948 -8.838 1.0 16.78 ? 257 A 1 +ATOM 4521 H HH22 . ARG A 1 267 ? -2.536 19.239 -8.826 1.0 16.78 ? 257 A 1 +ATOM 4522 N N . ILE A 1 268 ? 4.902 19.687 -12.232 1.0 15.13 ? 258 A 1 +ATOM 4523 C CA . ILE A 1 268 ? 6.131 20.463 -12.053 1.0 16.24 ? 258 A 1 +ATOM 4524 C C . ILE A 1 268 ? 5.997 21.854 -12.673 1.0 17.21 ? 258 A 1 +ATOM 4525 O O . ILE A 1 268 ? 6.405 22.869 -12.077 1.0 17.81 ? 258 A 1 +ATOM 4526 C CB . ILE A 1 268 ? 7.312 19.658 -12.636 1.0 16.03 ? 258 A 1 +ATOM 4527 C CG1 . ILE A 1 268 ? 7.561 18.431 -11.768 1.0 17.52 ? 258 A 1 +ATOM 4528 C CG2 . ILE A 1 268 ? 8.602 20.509 -12.711 1.0 18.79 ? 258 A 1 +ATOM 4529 C CD1 . ILE A 1 268 ? 8.348 17.322 -12.435 1.0 18.43 ? 258 A 1 +ATOM 4530 H H . ILE A 1 268 ? 4.998 18.952 -12.667 1.0 18.15 ? 258 A 1 +ATOM 4531 H HA . ILE A 1 268 ? 6.294 20.605 -11.108 1.0 19.49 ? 258 A 1 +ATOM 4532 H HB . ILE A 1 268 ? 7.076 19.391 -13.538 1.0 19.24 ? 258 A 1 +ATOM 4533 H HG12 . ILE A 1 268 ? 8.057 18.707 -10.982 1.0 21.02 ? 258 A 1 +ATOM 4534 H HG13 . ILE A 1 268 ? 6.703 18.061 -11.506 1.0 21.02 ? 258 A 1 +ATOM 4535 H HG21 . ILE A 1 268 ? 9.355 19.926 -12.892 1.0 22.54 ? 258 A 1 +ATOM 4536 H HG22 . ILE A 1 268 ? 8.509 21.161 -13.424 1.0 22.54 ? 258 A 1 +ATOM 4537 H HG23 . ILE A 1 268 ? 8.731 20.963 -11.864 1.0 22.54 ? 258 A 1 +ATOM 4538 H HD11 . ILE A 1 268 ? 8.408 16.568 -11.827 1.0 22.12 ? 258 A 1 +ATOM 4539 H HD12 . ILE A 1 268 ? 7.892 17.056 -13.248 1.0 22.12 ? 258 A 1 +ATOM 4540 H HD13 . ILE A 1 268 ? 9.237 17.648 -12.646 1.0 22.12 ? 258 A 1 +ATOM 4541 N N . LEU A 1 269 ? 5.433 21.932 -13.886 1.0 16.05 ? 259 A 1 +ATOM 4542 C CA . LEU A 1 269 ? 5.29 23.21 -14.589 1.0 16.32 ? 259 A 1 +ATOM 4543 C C . LEU A 1 269 ? 4.254 24.122 -13.943 1.0 17.65 ? 259 A 1 +ATOM 4544 O O . LEU A 1 269 ? 4.425 25.359 -13.955 1.0 18.64 ? 259 A 1 +ATOM 4545 C CB . LEU A 1 269 ? 4.925 22.948 -16.04 1.0 17.71 ? 259 A 1 +ATOM 4546 C CG . LEU A 1 269 ? 6.033 22.365 -16.923 1.0 17.72 ? 259 A 1 +ATOM 4547 C CD1 . LEU A 1 269 ? 5.445 21.846 -18.221 1.0 21.07 ? 259 A 1 +ATOM 4548 C CD2 . LEU A 1 269 ? 7.041 23.408 -17.207 1.0 22.51 ? 259 A 1 +ATOM 4549 H H . LEU A 1 269 ? 5.126 21.258 -14.323 1.0 19.26 ? 259 A 1 +ATOM 4550 H HA . LEU A 1 269 ? 6.14 23.676 -14.557 1.0 19.58 ? 259 A 1 +ATOM 4551 H HB2 . LEU A 1 269 ? 4.186 22.32 -16.057 1.0 21.25 ? 259 A 1 +ATOM 4552 H HB3 . LEU A 1 269 ? 4.654 23.789 -16.44 1.0 21.25 ? 259 A 1 +ATOM 4553 H HG . LEU A 1 269 ? 6.464 21.627 -16.464 1.0 21.27 ? 259 A 1 +ATOM 4554 H HD11 . LEU A 1 269 ? 6.16 21.493 -18.773 1.0 25.28 ? 259 A 1 +ATOM 4555 H HD12 . LEU A 1 269 ? 4.806 21.145 -18.02 1.0 25.28 ? 259 A 1 +ATOM 4556 H HD13 . LEU A 1 269 ? 5.002 22.576 -18.681 1.0 25.28 ? 259 A 1 +ATOM 4557 H HD21 . LEU A 1 269 ? 7.708 23.047 -17.812 1.0 27.02 ? 259 A 1 +ATOM 4558 H HD22 . LEU A 1 269 ? 6.601 24.17 -17.616 1.0 27.02 ? 259 A 1 +ATOM 4559 H HD23 . LEU A 1 269 ? 7.46 23.677 -16.374 1.0 27.02 ? 259 A 1 +ATOM 4560 N N . LEU A 1 270 ? 3.195 23.54 -13.377 1.0 16.52 ? 260 A 1 +ATOM 4561 C CA . LEU A 1 270 ? 2.019 24.28 -12.871 1.0 17.56 ? 260 A 1 +ATOM 4562 C C . LEU A 1 270 ? 1.754 23.779 -11.456 1.0 15.42 ? 260 A 1 +ATOM 4563 O O . LEU A 1 270 ? 0.823 23.03 -11.205 1.0 15.49 ? 260 A 1 +ATOM 4564 C CB . LEU A 1 270 ? 0.792 24.032 -13.77 1.0 15.52 ? 260 A 1 +ATOM 4565 C CG . LEU A 1 270 ? 0.903 24.625 -15.181 1.0 17.5 ? 260 A 1 +ATOM 4566 C CD1 . LEU A 1 270 ? -0.326 24.214 -15.98 1.0 20.15 ? 260 A 1 +ATOM 4567 C CD2 . LEU A 1 270 ? 1.095 26.14 -15.168 1.0 20.99 ? 260 A 1 +ATOM 4568 H H . LEU A 1 270 ? 3.125 22.69 -13.267 1.0 19.82 ? 260 A 1 +ATOM 4569 H HA . LEU A 1 270 ? 2.203 25.233 -12.851 1.0 21.07 ? 260 A 1 +ATOM 4570 H HB2 . LEU A 1 270 ? 0.667 23.075 -13.863 1.0 18.62 ? 260 A 1 +ATOM 4571 H HB3 . LEU A 1 270 ? 0.015 24.428 -13.346 1.0 18.62 ? 260 A 1 +ATOM 4572 H HG . LEU A 1 270 ? 1.697 24.275 -15.615 1.0 21.0 ? 260 A 1 +ATOM 4573 H HD11 . LEU A 1 270 ? -0.261 24.586 -16.873 1.0 24.18 ? 260 A 1 +ATOM 4574 H HD12 . LEU A 1 270 ? -0.363 23.246 -16.027 1.0 24.18 ? 260 A 1 +ATOM 4575 H HD13 . LEU A 1 270 ? -1.119 24.554 -15.537 1.0 24.18 ? 260 A 1 +ATOM 4576 H HD21 . LEU A 1 270 ? 1.0 26.478 -16.072 1.0 25.19 ? 260 A 1 +ATOM 4577 H HD22 . LEU A 1 270 ? 0.423 26.539 -14.594 1.0 25.19 ? 260 A 1 +ATOM 4578 H HD23 . LEU A 1 270 ? 1.981 26.344 -14.83 1.0 25.19 ? 260 A 1 +ATOM 4579 N N . PRO A 1 271 ? 2.549 24.241 -10.494 1.0 15.88 ? 261 A 1 +ATOM 4580 C CA . PRO A 1 271 ? 2.541 23.61 -9.162 1.0 16.75 ? 261 A 1 +ATOM 4581 C C . PRO A 1 271 ? 1.273 23.665 -8.382 1.0 15.59 ? 261 A 1 +ATOM 4582 O O . PRO A 1 271 ? 1.025 22.774 -7.554 1.0 16.71 ? 261 A 1 +ATOM 4583 C CB . PRO A 1 271 ? 3.66 24.344 -8.405 1.0 16.95 ? 261 A 1 +ATOM 4584 C CG . PRO A 1 271 ? 4.611 24.736 -9.481 1.0 19.49 ? 261 A 1 +ATOM 4585 C CD . PRO A 1 271 ? 3.702 25.144 -10.626 1.0 18.06 ? 261 A 1 +ATOM 4586 H HA . PRO A 1 271 ? 2.761 22.676 -9.305 1.0 20.1 ? 261 A 1 +ATOM 4587 H HB2 . PRO A 1 271 ? 3.302 25.123 -7.95 1.0 20.34 ? 261 A 1 +ATOM 4588 H HB3 . PRO A 1 271 ? 4.078 23.748 -7.764 1.0 20.34 ? 261 A 1 +ATOM 4589 H HG2 . PRO A 1 271 ? 5.163 25.477 -9.188 1.0 23.39 ? 261 A 1 +ATOM 4590 H HG3 . PRO A 1 271 ? 5.17 23.982 -9.727 1.0 23.39 ? 261 A 1 +ATOM 4591 H HD2 . PRO A 1 271 ? 3.427 26.069 -10.532 1.0 21.67 ? 261 A 1 +ATOM 4592 H HD3 . PRO A 1 271 ? 4.145 25.014 -11.479 1.0 21.67 ? 261 A 1 +ATOM 4593 N N . ASP A 1 272 ? 0.449 24.68 -8.574 1.0 17.36 ? 262 A 1 +ATOM 4594 C CA . ASP A 1 272 ? -0.782 24.784 -7.796 1.0 17.2 ? 262 A 1 +ATOM 4595 C C . ASP A 1 272 ? -2.019 24.507 -8.639 1.0 18.55 ? 262 A 1 +ATOM 4596 O O . ASP A 1 272 ? -3.138 24.774 -8.223 1.0 16.96 ? 262 A 1 +ATOM 4597 C CB . ASP A 1 272 ? -0.827 26.066 -6.951 1.0 19.97 ? 262 A 1 +ATOM 4598 C CG . ASP A 1 272 ? -0.625 27.299 -7.75 1.0 21.56 ? 262 A 1 +ATOM 4599 O OD1 . ASP A 1 272 ? -0.97 27.272 -8.956 1.0 20.83 ? 262 A 1 +ATOM 4600 O OD2 . ASP A 1 272 ? -0.14 28.268 -7.168 1.0 21.98 ? 262 A 1 +ATOM 4601 H H . ASP A 1 272 ? 0.576 25.314 -9.141 1.0 20.83 ? 262 A 1 +ATOM 4602 H HA . ASP A 1 272 ? -0.792 24.091 -7.117 1.0 20.64 ? 262 A 1 +ATOM 4603 H HB2 . ASP A 1 272 ? -1.694 26.129 -6.52 1.0 23.97 ? 262 A 1 +ATOM 4604 H HB3 . ASP A 1 272 ? -0.126 26.027 -6.281 1.0 23.97 ? 262 A 1 +ATOM 4605 N N . SER A 1 273 ? -1.862 23.908 -9.817 1.0 15.44 ? 263 A 1 +ATOM 4606 C CA . SER A 1 273 ? -3.03 23.541 -10.638 1.0 15.24 ? 263 A 1 +ATOM 4607 C C . SER A 1 273 ? -3.768 22.331 -10.08 1.0 14.61 ? 263 A 1 +ATOM 4608 O O . SER A 1 273 ? -3.241 21.541 -9.285 1.0 15.13 ? 263 A 1 +ATOM 4609 C CB . SER A 1 273 ? -2.596 23.224 -12.068 1.0 15.9 ? 263 A 1 +ATOM 4610 O OG . SER A 1 273 ? -1.669 22.113 -12.132 1.0 18.77 ? 263 A 1 +ATOM 4611 H H . SER A 1 273 ? -1.103 23.704 -10.166 1.0 18.52 ? 263 A 1 +ATOM 4612 H HA . SER A 1 273 ? -3.642 24.294 -10.639 1.0 18.29 ? 263 A 1 +ATOM 4613 H HB2 . SER A 1 273 ? -3.384 22.999 -12.587 1.0 19.08 ? 263 A 1 +ATOM 4614 H HB3 . SER A 1 273 ? -2.165 24.009 -12.442 1.0 19.08 ? 263 A 1 +ATOM 4615 H HG . SER A 1 273 ? -0.968 22.3 -11.708 1.0 22.53 ? 263 A 1 +ATOM 4616 N N . ASN A 1 274 ? -5.001 22.185 -10.493 1.0 13.48 ? 264 A 1 +ATOM 4617 C CA . ASN A 1 274 ? -5.797 21.014 -10.194 1.0 13.35 ? 264 A 1 +ATOM 4618 C C . ASN A 1 274 ? -5.662 20.005 -11.318 1.0 13.33 ? 264 A 1 +ATOM 4619 O O . ASN A 1 274 ? -5.957 20.312 -12.478 1.0 14.59 ? 264 A 1 +ATOM 4620 C CB . ASN A 1 274 ? -7.253 21.39 -9.955 1.0 13.83 ? 264 A 1 +ATOM 4621 C CG . ASN A 1 274 ? -7.478 21.941 -8.583 1.0 14.04 ? 264 A 1 +ATOM 4622 O OD1 . ASN A 1 274 ? -6.833 21.52 -7.615 1.0 15.23 ? 264 A 1 +ATOM 4623 N ND2 . ASN A 1 274 ? -8.408 22.881 -8.473 1.0 16.21 ? 264 A 1 +ATOM 4624 H H . ASN A 1 274 ? -5.419 22.769 -10.966 1.0 16.18 ? 264 A 1 +ATOM 4625 H HA . ASN A 1 274 ? -5.464 20.599 -9.383 1.0 16.02 ? 264 A 1 +ATOM 4626 H HB2 . ASN A 1 274 ? -7.517 22.065 -10.599 1.0 16.59 ? 264 A 1 +ATOM 4627 H HB3 . ASN A 1 274 ? -7.807 20.6 -10.057 1.0 16.59 ? 264 A 1 +ATOM 4628 H HD21 . ASN A 1 274 ? -8.576 23.232 -7.705 1.0 19.46 ? 264 A 1 +ATOM 4629 H HD22 . ASN A 1 274 ? -8.842 23.14 -9.168 1.0 19.46 ? 264 A 1 +ATOM 4630 N N . ILE A 1 275 ? -5.185 18.819 -11.03 1.0 12.42 ? 265 A 1 +ATOM 4631 C CA . ILE A 1 275 ? -4.823 17.802 -12.017 1.0 12.2 ? 265 A 1 +ATOM 4632 C C . ILE A 1 275 ? -5.546 16.51 -11.678 1.0 12.56 ? 265 A 1 +ATOM 4633 O O . ILE A 1 275 ? -5.169 15.833 -10.706 1.0 13.06 ? 265 A 1 +ATOM 4634 C CB . ILE A 1 275 ? -3.33 17.593 -12.048 1.0 12.96 ? 265 A 1 +ATOM 4635 C CG1 . ILE A 1 275 ? -2.592 18.86 -12.41 1.0 14.75 ? 265 A 1 +ATOM 4636 C CG2 . ILE A 1 275 ? -2.972 16.505 -13.067 1.0 15.01 ? 265 A 1 +ATOM 4637 C CD1 . ILE A 1 275 ? -1.072 18.794 -12.379 1.0 15.24 ? 265 A 1 +ATOM 4638 H H . ILE A 1 275 ? -5.048 18.552 -10.225 1.0 14.91 ? 265 A 1 +ATOM 4639 H HA . ILE A 1 275 ? -5.115 18.092 -12.895 1.0 14.64 ? 265 A 1 +ATOM 4640 H HB . ILE A 1 275 ? -3.062 17.324 -11.156 1.0 15.55 ? 265 A 1 +ATOM 4641 H HG12 . ILE A 1 275 ? -2.848 19.11 -13.312 1.0 17.7 ? 265 A 1 +ATOM 4642 H HG13 . ILE A 1 275 ? -2.859 19.553 -11.786 1.0 17.7 ? 265 A 1 +ATOM 4643 H HG21 . ILE A 1 275 ? -2.006 16.449 -13.143 1.0 18.01 ? 265 A 1 +ATOM 4644 H HG22 . ILE A 1 275 ? -3.329 15.657 -12.762 1.0 18.01 ? 265 A 1 +ATOM 4645 H HG23 . ILE A 1 275 ? -3.359 16.737 -13.926 1.0 18.01 ? 265 A 1 +ATOM 4646 H HD11 . ILE A 1 275 ? -0.715 19.696 -12.406 1.0 18.28 ? 265 A 1 +ATOM 4647 H HD12 . ILE A 1 275 ? -0.791 18.352 -11.563 1.0 18.28 ? 265 A 1 +ATOM 4648 H HD13 . ILE A 1 275 ? -0.762 18.293 -13.15 1.0 18.28 ? 265 A 1 +ATOM 4649 N N . PRO A 1 276 ? -6.57 16.092 -12.409 1.0 12.3 ? 266 A 1 +ATOM 4650 C CA . PRO A 1 276 ? -7.219 14.814 -12.132 1.0 13.02 ? 266 A 1 +ATOM 4651 C C . PRO A 1 276 ? -6.368 13.626 -12.5 1.0 13.21 ? 266 A 1 +ATOM 4652 O O . PRO A 1 276 ? -5.577 13.651 -13.441 1.0 13.49 ? 266 A 1 +ATOM 4653 C CB . PRO A 1 276 ? -8.5 14.838 -12.954 1.0 14.14 ? 266 A 1 +ATOM 4654 C CG . PRO A 1 276 ? -8.188 15.795 -14.025 1.0 16.17 ? 266 A 1 +ATOM 4655 C CD . PRO A 1 276 ? -7.327 16.894 -13.375 1.0 13.75 ? 266 A 1 +ATOM 4656 H HA . PRO A 1 276 ? -7.44 14.774 -11.188 1.0 15.62 ? 266 A 1 +ATOM 4657 H HB2 . PRO A 1 276 ? -8.689 13.956 -13.311 1.0 16.96 ? 266 A 1 +ATOM 4658 H HB3 . PRO A 1 276 ? -9.244 15.143 -12.411 1.0 16.96 ? 266 A 1 +ATOM 4659 H HG2 . PRO A 1 276 ? -7.696 15.347 -14.73 1.0 19.41 ? 266 A 1 +ATOM 4660 H HG3 . PRO A 1 276 ? -9.01 16.168 -14.379 1.0 19.41 ? 266 A 1 +ATOM 4661 H HD2 . PRO A 1 276 ? -6.742 17.319 -14.022 1.0 16.5 ? 266 A 1 +ATOM 4662 H HD3 . PRO A 1 276 ? -7.874 17.562 -12.933 1.0 16.5 ? 266 A 1 +ATOM 4663 N N . ALA A 1 277 ? -6.585 12.539 -11.795 1.0 12.69 ? 267 A 1 +ATOM 4664 C CA . ALA A 1 277 ? -6.215 11.204 -12.226 1.0 11.97 ? 267 A 1 +ATOM 4665 C C . ALA A 1 277 ? -7.419 10.72 -13.015 1.0 12.43 ? 267 A 1 +ATOM 4666 O O . ALA A 1 277 ? -8.467 10.375 -12.44 1.0 13.7 ? 267 A 1 +ATOM 4667 C CB . ALA A 1 277 ? -5.963 10.325 -10.998 1.0 13.65 ? 267 A 1 +ATOM 4668 H H . ALA A 1 277 ? -6.964 12.544 -11.023 1.0 15.23 ? 267 A 1 +ATOM 4669 H HA . ALA A 1 277 ? -5.415 11.192 -12.774 1.0 14.37 ? 267 A 1 +ATOM 4670 H HB1 . ALA A 1 277 ? -5.711 9.436 -11.292 1.0 16.38 ? 267 A 1 +ATOM 4671 H HB2 . ALA A 1 277 ? -5.247 10.715 -10.472 1.0 16.38 ? 267 A 1 +ATOM 4672 H HB3 . ALA A 1 277 ? -6.775 10.281 -10.469 1.0 16.38 ? 267 A 1 +ATOM 4673 N N . THR A 1 278 ? -7.32 10.784 -14.353 1.0 12.91 ? 268 A 1 +ATOM 4674 C CA . THR A 1 278 ? -8.499 10.678 -15.205 1.0 12.95 ? 268 A 1 +ATOM 4675 C C . THR A 1 278 ? -9.029 9.252 -15.281 1.0 13.14 ? 268 A 1 +ATOM 4676 O O . THR A 1 278 ? -8.33 8.261 -15.088 1.0 13.18 ? 268 A 1 +ATOM 4677 C CB . THR A 1 278 ? -8.23 11.27 -16.591 1.0 13.72 ? 268 A 1 +ATOM 4678 O OG1 . THR A 1 278 ? -7.208 10.503 -17.195 1.0 14.72 ? 268 A 1 +ATOM 4679 C CG2 A THR A 1 278 ? -7.936 12.732 -16.527 1.0 14.33 ? 268 A 1 +ATOM 4680 H H . THR A 1 278 ? -6.582 10.888 -14.783 1.0 15.49 ? 268 A 1 +ATOM 4681 H HA . THR A 1 278 ? -9.214 11.202 -14.812 1.0 15.54 ? 268 A 1 +ATOM 4682 H HB A THR A 1 278 ? -9.017 11.224 -17.157 1.0 16.47 ? 268 A 1 +ATOM 4683 H HG1 . THR A 1 278 ? -6.983 10.85 -17.926 1.0 17.66 ? 268 A 1 +ATOM 4684 H HG21 A THR A 1 278 ? -8.334 13.184 -17.286 1.0 17.19 ? 268 A 1 +ATOM 4685 H HG22 A THR A 1 278 ? -8.3 13.108 -15.71 1.0 17.19 ? 268 A 1 +ATOM 4686 H HG23 A THR A 1 278 ? -6.977 12.878 -16.54 1.0 17.19 ? 268 A 1 +ATOM 4687 N N . THR A 1 279 ? -10.306 9.189 -15.712 1.0 13.77 ? 269 A 1 +ATOM 4688 C CA . THR A 1 279 ? -10.97 7.892 -15.956 1.0 14.71 ? 269 A 1 +ATOM 4689 C C . THR A 1 279 ? -10.146 7.031 -16.892 1.0 15.36 ? 269 A 1 +ATOM 4690 O O . THR A 1 279 ? -10.026 5.835 -16.695 1.0 15.99 ? 269 A 1 +ATOM 4691 C CB . THR A 1 279 ? -12.325 8.141 -16.621 1.0 16.27 ? 269 A 1 +ATOM 4692 O OG1 . THR A 1 279 ? -12.985 9.243 -16.025 1.0 16.63 ? 269 A 1 +ATOM 4693 C CG2 . THR A 1 279 ? -13.195 6.909 -16.56 1.0 18.38 ? 269 A 1 +ATOM 4694 H H . THR A 1 279 ? -10.803 9.874 -15.868 1.0 16.53 ? 269 A 1 +ATOM 4695 H HA . THR A 1 279 ? -11.088 7.436 -15.108 1.0 17.65 ? 269 A 1 +ATOM 4696 H HB . THR A 1 279 ? -12.176 8.351 -17.557 1.0 19.53 ? 269 A 1 +ATOM 4697 H HG1 . THR A 1 279 ? -13.782 9.278 -16.29 1.0 19.95 ? 269 A 1 +ATOM 4698 H HG21 . THR A 1 279 ? -14.063 7.095 -16.952 1.0 22.05 ? 269 A 1 +ATOM 4699 H HG22 . THR A 1 279 ? -12.778 6.183 -17.05 1.0 22.05 ? 269 A 1 +ATOM 4700 H HG23 . THR A 1 279 ? -13.319 6.635 -15.638 1.0 22.05 ? 269 A 1 +ATOM 4701 N N . ALA A 1 280 ? -9.55 7.633 -17.928 1.0 14.55 ? 270 A 1 +ATOM 4702 C CA . ALA A 1 280 ? -8.787 6.849 -18.891 1.0 15.65 ? 270 A 1 +ATOM 4703 C C . ALA A 1 280 ? -7.552 6.229 -18.275 1.0 16.81 ? 270 A 1 +ATOM 4704 O O . ALA A 1 280 ? -7.164 5.137 -18.647 1.0 16.53 ? 270 A 1 +ATOM 4705 C CB . ALA A 1 280 ? -8.468 7.765 -20.079 1.0 15.62 ? 270 A 1 +ATOM 4706 H H . ALA A 1 280 ? -9.574 8.477 -18.089 1.0 17.47 ? 270 A 1 +ATOM 4707 H HA . ALA A 1 280 ? -9.306 6.097 -19.217 1.0 18.78 ? 270 A 1 +ATOM 4708 H HB1 . ALA A 1 280 ? -7.966 7.262 -20.74 1.0 18.74 ? 270 A 1 +ATOM 4709 H HB2 . ALA A 1 280 ? -9.299 8.082 -20.466 1.0 18.74 ? 270 A 1 +ATOM 4710 H HB3 . ALA A 1 280 ? -7.941 8.517 -19.766 1.0 18.74 ? 270 A 1 +ATOM 4711 N N . MET A 1 281 ? -6.944 6.887 -17.29 1.0 15.76 ? 271 A 1 +ATOM 4712 C CA . MET A 1 281 ? -5.834 6.261 -16.569 1.0 15.39 ? 271 A 1 +ATOM 4713 C C . MET A 1 281 ? -6.272 5.049 -15.769 1.0 15.97 ? 271 A 1 +ATOM 4714 O O . MET A 1 281 ? -5.547 4.048 -15.692 1.0 18.64 ? 271 A 1 +ATOM 4715 C CB . MET A 1 281 ? -5.153 7.28 -15.638 1.0 15.63 ? 271 A 1 +ATOM 4716 C CG . MET A 1 281 ? -4.448 8.412 -16.331 1.0 17.55 ? 271 A 1 +ATOM 4717 S SD . MET A 1 281 ? -3.069 7.807 -17.359 1.0 16.67 ? 271 A 1 +ATOM 4718 C CE . MET A 1 281 ? -1.645 8.216 -16.337 1.0 16.3 ? 271 A 1 +ATOM 4719 H H . MET A 1 281 ? -7.149 7.679 -17.024 1.0 18.91 ? 271 A 1 +ATOM 4720 H HA . MET A 1 281 ? -5.189 5.974 -17.234 1.0 18.47 ? 271 A 1 +ATOM 4721 H HB2 . MET A 1 281 ? -5.831 7.67 -15.063 1.0 18.75 ? 271 A 1 +ATOM 4722 H HB3 . MET A 1 281 ? -4.493 6.813 -15.103 1.0 18.75 ? 271 A 1 +ATOM 4723 H HG2 . MET A 1 281 ? -5.076 8.878 -16.905 1.0 21.07 ? 271 A 1 +ATOM 4724 H HG3 . MET A 1 281 ? -4.09 9.022 -15.667 1.0 21.07 ? 271 A 1 +ATOM 4725 H HE1 . MET A 1 281 ? -0.838 7.918 -16.785 1.0 19.56 ? 271 A 1 +ATOM 4726 H HE2 . MET A 1 281 ? -1.616 9.176 -16.206 1.0 19.56 ? 271 A 1 +ATOM 4727 H HE3 . MET A 1 281 ? -1.733 7.768 -15.48 1.0 19.56 ? 271 A 1 +ATOM 4728 N N . GLY A 1 282 ? -7.483 5.109 -15.224 1.0 16.45 ? 272 A 1 +ATOM 4729 C CA . GLY A 1 282 ? -8.024 3.945 -14.527 1.0 17.01 ? 272 A 1 +ATOM 4730 C C . GLY A 1 282 ? -8.476 2.835 -15.436 1.0 18.4 ? 272 A 1 +ATOM 4731 O O . GLY A 1 282 ? -8.555 1.675 -15.03 1.0 20.56 ? 272 A 1 +ATOM 4732 H H . GLY A 1 282 ? -8.001 5.795 -15.242 1.0 19.75 ? 272 A 1 +ATOM 4733 H HA2 . GLY A 1 282 ? -7.342 3.588 -13.937 1.0 20.41 ? 272 A 1 +ATOM 4734 H HA3 . GLY A 1 282 ? -8.787 4.224 -13.996 1.0 20.41 ? 272 A 1 +ATOM 4735 N N . THR A 1 283 ? -8.795 3.183 -16.676 1.0 17.17 ? 273 A 1 +ATOM 4736 C CA . THR A 1 283 ? -9.219 2.19 -17.66 1.0 16.82 ? 273 A 1 +ATOM 4737 C C . THR A 1 283 ? -8.025 1.422 -18.183 1.0 19.02 ? 273 A 1 +ATOM 4738 O O . THR A 1 283 ? -8.078 0.201 -18.341 1.0 21.4 ? 273 A 1 +ATOM 4739 C CB . THR A 1 283 ? -9.925 2.91 -18.803 1.0 16.62 ? 273 A 1 +ATOM 4740 O OG1 . THR A 1 283 ? -11.087 3.569 -18.318 1.0 18.85 ? 273 A 1 +ATOM 4741 C CG2 . THR A 1 283 ? -10.329 1.963 -19.891 1.0 18.97 ? 273 A 1 +ATOM 4742 H H . THR A 1 283 ? -8.776 3.989 -16.976 1.0 20.61 ? 273 A 1 +ATOM 4743 H HA . THR A 1 283 ? -9.837 1.558 -17.26 1.0 20.19 ? 273 A 1 +ATOM 4744 H HB . THR A 1 283 ? -9.308 3.557 -19.179 1.0 19.94 ? 273 A 1 +ATOM 4745 H HG1 . THR A 1 283 ? -10.872 4.148 -17.75 1.0 22.62 ? 273 A 1 +ATOM 4746 H HG21 . THR A 1 283 ? -10.953 2.397 -20.494 1.0 22.76 ? 273 A 1 +ATOM 4747 H HG22 . THR A 1 283 ? -9.549 1.683 -20.394 1.0 22.76 ? 273 A 1 +ATOM 4748 H HG23 . THR A 1 283 ? -10.754 1.18 -19.508 1.0 22.76 ? 273 A 1 +ATOM 4749 N N . ILE A 1 284 ? -6.925 2.108 -18.44 1.0 18.39 ? 274 A 1 +ATOM 4750 C CA . ILE A 1 284 ? -5.809 1.475 -19.127 1.0 19.59 ? 274 A 1 +ATOM 4751 C C . ILE A 1 284 ? -5.02 0.531 -18.257 1.0 18.37 ? 274 A 1 +ATOM 4752 O O . ILE A 1 284 ? -4.469 -0.461 -18.754 1.0 21.77 ? 274 A 1 +ATOM 4753 C CB . ILE A 1 284 ? -4.92 2.544 -19.81 1.0 19.92 ? 274 A 1 +ATOM 4754 C CG1 . ILE A 1 284 ? -3.993 1.922 -20.824 1.0 21.16 ? 274 A 1 +ATOM 4755 C CG2 . ILE A 1 284 ? -4.126 3.351 -18.818 1.0 19.22 ? 274 A 1 +ATOM 4756 C CD1 . ILE A 1 284 ? -3.238 2.961 -21.651 1.0 24.07 ? 274 A 1 +ATOM 4757 H H . ILE A 1 284 ? -6.797 2.932 -18.23 1.0 22.06 ? 274 A 1 +ATOM 4758 H HA . ILE A 1 284 ? -6.186 0.914 -19.822 1.0 23.51 ? 274 A 1 +ATOM 4759 H HB . ILE A 1 284 ? -5.528 3.146 -20.266 1.0 23.91 ? 274 A 1 +ATOM 4760 H HG12 . ILE A 1 284 ? -3.339 1.375 -20.36 1.0 25.4 ? 274 A 1 +ATOM 4761 H HG13 . ILE A 1 284 ? -4.512 1.374 -21.432 1.0 25.4 ? 274 A 1 +ATOM 4762 H HG21 . ILE A 1 284 ? -3.789 4.147 -19.257 1.0 23.06 ? 274 A 1 +ATOM 4763 H HG22 . ILE A 1 284 ? -4.703 3.599 -18.079 1.0 23.06 ? 274 A 1 +ATOM 4764 H HG23 . ILE A 1 284 ? -3.386 2.814 -18.494 1.0 23.06 ? 274 A 1 +ATOM 4765 H HD11 . ILE A 1 284 ? -2.759 2.511 -22.365 1.0 28.88 ? 274 A 1 +ATOM 4766 H HD12 . ILE A 1 284 ? -3.874 3.59 -22.026 1.0 28.88 ? 274 A 1 +ATOM 4767 H HD13 . ILE A 1 284 ? -2.611 3.428 -21.076 1.0 28.88 ? 274 A 1 +ATOM 4768 N N . VAL A 1 285 ? -4.88 0.779 -16.956 1.0 17.22 ? 275 A 1 +ATOM 4769 C CA . VAL A 1 285 ? -4.087 -0.03 -16.051 1.0 17.72 ? 275 A 1 +ATOM 4770 C C . VAL A 1 285 ? -4.913 -0.22 -14.789 1.0 17.65 ? 275 A 1 +ATOM 4771 O O . VAL A 1 285 ? -5.488 0.773 -14.277 1.0 17.53 ? 275 A 1 +ATOM 4772 C CB . VAL A 1 285 ? -2.771 0.685 -15.701 1.0 18.41 ? 275 A 1 +ATOM 4773 C CG1 . VAL A 1 285 ? -2.102 0.093 -14.477 1.0 25.1 ? 275 A 1 +ATOM 4774 C CG2 . VAL A 1 285 ? -1.83 0.615 -16.913 1.0 22.38 ? 275 A 1 +ATOM 4775 H H . VAL A 1 285 ? -5.255 1.444 -16.561 1.0 20.66 ? 275 A 1 +ATOM 4776 H HA . VAL A 1 285 ? -3.886 -0.888 -16.457 1.0 21.26 ? 275 A 1 +ATOM 4777 H HB . VAL A 1 285 ? -2.969 1.61 -15.485 1.0 22.09 ? 275 A 1 +ATOM 4778 H HG11 . VAL A 1 285 ? -1.174 0.374 -14.458 1.0 30.12 ? 275 A 1 +ATOM 4779 H HG12 . VAL A 1 285 ? -2.56 0.409 -13.682 1.0 30.12 ? 275 A 1 +ATOM 4780 H HG13 . VAL A 1 285 ? -2.153 -0.874 -14.526 1.0 30.12 ? 275 A 1 +ATOM 4781 H HG21 . VAL A 1 285 ? -1.016 1.101 -16.71 1.0 26.86 ? 275 A 1 +ATOM 4782 H HG22 . VAL A 1 285 ? -1.622 -0.314 -17.099 1.0 26.86 ? 275 A 1 +ATOM 4783 H HG23 . VAL A 1 285 ? -2.271 1.014 -17.679 1.0 26.86 ? 275 A 1 +ATOM 4784 N N . PRO A 1 286 ? -4.981 -1.429 -14.225 1.0 16.97 ? 276 A 1 +ATOM 4785 C CA . PRO A 1 286 ? -5.651 -1.585 -12.928 1.0 18.17 ? 276 A 1 +ATOM 4786 C C . PRO A 1 286 ? -4.927 -0.816 -11.844 1.0 19.02 ? 276 A 1 +ATOM 4787 O O . PRO A 1 286 ? -3.734 -0.981 -11.665 1.0 23.02 ? 276 A 1 +ATOM 4788 C CB . PRO A 1 286 ? -5.608 -3.107 -12.683 1.0 21.38 ? 276 A 1 +ATOM 4789 C CG . PRO A 1 286 ? -5.284 -3.711 -13.989 1.0 24.09 ? 276 A 1 +ATOM 4790 C CD . PRO A 1 286 ? -4.459 -2.724 -14.731 1.0 18.15 ? 276 A 1 +ATOM 4791 H HA . PRO A 1 286 ? -6.573 -1.29 -12.98 1.0 21.8 ? 276 A 1 +ATOM 4792 H HB2 . PRO A 1 286 ? -4.923 -3.314 -12.028 1.0 25.66 ? 276 A 1 +ATOM 4793 H HB3 . PRO A 1 286 ? -6.472 -3.412 -12.366 1.0 25.66 ? 276 A 1 +ATOM 4794 H HG2 . PRO A 1 286 ? -4.788 -4.533 -13.85 1.0 28.91 ? 276 A 1 +ATOM 4795 H HG3 . PRO A 1 286 ? -6.105 -3.897 -14.471 1.0 28.91 ? 276 A 1 +ATOM 4796 H HD2 . PRO A 1 286 ? -3.518 -2.827 -14.519 1.0 21.78 ? 276 A 1 +ATOM 4797 H HD3 . PRO A 1 286 ? -4.595 -2.805 -15.688 1.0 21.78 ? 276 A 1 +ATOM 4798 N N . GLY A 1 287 ? -5.652 0.048 -11.162 1.0 17.95 ? 277 A 1 +ATOM 4799 C CA . GLY A 1 287 ? -5.012 0.923 -10.206 1.0 18.93 ? 277 A 1 +ATOM 4800 C C . GLY A 1 287 ? -4.386 2.16 -10.8 1.0 15.41 ? 277 A 1 +ATOM 4801 O O . GLY A 1 287 ? -3.592 2.852 -10.158 1.0 17.62 ? 277 A 1 +ATOM 4802 H H . GLY A 1 287 ? -6.504 0.145 -11.233 1.0 21.54 ? 277 A 1 +ATOM 4803 H HA2 . GLY A 1 287 ? -5.673 1.209 -9.556 1.0 22.72 ? 277 A 1 +ATOM 4804 H HA3 . GLY A 1 287 ? -4.314 0.428 -9.751 1.0 22.72 ? 277 A 1 +ATOM 4805 N N . GLY A 1 288 ? -4.659 2.458 -12.065 1.0 15.63 ? 278 A 1 +ATOM 4806 C CA . GLY A 1 288 ? -4.02 3.559 -12.74 1.0 16.22 ? 278 A 1 +ATOM 4807 C C . GLY A 1 288 ? -4.262 4.906 -12.096 1.0 14.21 ? 278 A 1 +ATOM 4808 O O . GLY A 1 288 ? -3.377 5.749 -12.11 1.0 13.68 ? 278 A 1 +ATOM 4809 H H . GLY A 1 288 ? -5.219 2.029 -12.556 1.0 18.76 ? 278 A 1 +ATOM 4810 H HA2 . GLY A 1 288 ? -3.062 3.405 -12.756 1.0 19.46 ? 278 A 1 +ATOM 4811 H HA3 . GLY A 1 288 ? -4.348 3.602 -13.652 1.0 19.46 ? 278 A 1 +ATOM 4812 N N . ARG A 1 289 ? -5.482 5.131 -11.585 1.0 14.48 ? 279 A 1 +ATOM 4813 C CA A ARG A 1 289 ? -5.746 6.421 -10.943 0.57 14.11 ? 279 A 1 +ATOM 4814 C CA B ARG A 1 289 ? -5.74 6.42 -10.944 0.43 14.27 ? 279 A 1 +ATOM 4815 C C . ARG A 1 289 ? -4.972 6.562 -9.641 1.0 14.43 ? 279 A 1 +ATOM 4816 O O . ARG A 1 289 ? -4.432 7.636 -9.374 1.0 15.23 ? 279 A 1 +ATOM 4817 C CB A ARG A 1 289 ? -7.232 6.643 -10.706 0.57 14.24 ? 279 A 1 +ATOM 4818 C CB B ARG A 1 289 ? -7.223 6.63 -10.715 0.43 14.34 ? 279 A 1 +ATOM 4819 C CG A ARG A 1 289 ? -8.029 6.699 -12.008 0.57 16.03 ? 279 A 1 +ATOM 4820 C CG B ARG A 1 289 ? -7.964 6.825 -12.021 0.43 16.28 ? 279 A 1 +ATOM 4821 C CD A ARG A 1 289 ? -9.373 7.418 -11.878 0.57 23.42 ? 279 A 1 +ATOM 4822 C CD B ARG A 1 289 ? -9.471 6.736 -11.847 0.43 15.1 ? 279 A 1 +ATOM 4823 N NE A ARG A 1 289 ? -10.31 6.602 -11.128 0.57 23.58 ? 279 A 1 +ATOM 4824 N NE B ARG A 1 289 ? -9.882 5.459 -11.288 0.43 18.37 ? 279 A 1 +ATOM 4825 C CZ A ARG A 1 289 ? -11.62 6.844 -11.048 0.57 44.84 ? 279 A 1 +ATOM 4826 C CZ B ARG A 1 289 ? -11.122 5.174 -10.918 0.43 45.85 ? 279 A 1 +ATOM 4827 N NH1 A ARG A 1 289 ? -12.198 7.892 -11.688 0.57 20.62 ? 279 A 1 +ATOM 4828 N NH1 B ARG A 1 289 ? -12.067 6.097 -11.035 0.43 43.16 ? 279 A 1 +ATOM 4829 N NH2 A ARG A 1 289 ? -12.345 6.003 -10.326 0.57 26.12 ? 279 A 1 +ATOM 4830 N NH2 B ARG A 1 289 ? -11.403 3.974 -10.421 0.43 44.27 ? 279 A 1 +ATOM 4831 H H A ARG A 1 289 ? -6.141 4.579 -11.598 0.57 17.38 ? 279 A 1 +ATOM 4832 H H B ARG A 1 289 ? -6.142 4.58 -11.597 0.43 17.38 ? 279 A 1 +ATOM 4833 H HA A ARG A 1 289 ? -5.454 7.115 -11.554 0.57 16.93 ? 279 A 1 +ATOM 4834 H HA B ARG A 1 289 ? -5.44 7.117 -11.548 0.43 17.12 ? 279 A 1 +ATOM 4835 H HB2 A ARG A 1 289 ? -7.58 5.912 -10.171 0.57 17.09 ? 279 A 1 +ATOM 4836 H HB2 B ARG A 1 289 ? -7.591 5.853 -10.268 0.43 17.21 ? 279 A 1 +ATOM 4837 H HB3 A ARG A 1 289 ? -7.357 7.484 -10.24 0.57 17.09 ? 279 A 1 +ATOM 4838 H HB3 B ARG A 1 289 ? -7.354 7.421 -10.169 0.43 17.21 ? 279 A 1 +ATOM 4839 H HG2 A ARG A 1 289 ? -7.506 7.17 -12.675 0.57 19.23 ? 279 A 1 +ATOM 4840 H HG2 B ARG A 1 289 ? -7.754 7.702 -12.379 0.43 19.54 ? 279 A 1 +ATOM 4841 H HG3 A ARG A 1 289 ? -8.207 5.793 -12.305 0.57 19.23 ? 279 A 1 +ATOM 4842 H HG3 B ARG A 1 289 ? -7.692 6.137 -12.648 0.43 19.54 ? 279 A 1 +ATOM 4843 H HD2 A ARG A 1 289 ? -9.249 8.258 -11.409 0.57 28.1 ? 279 A 1 +ATOM 4844 H HD2 B ARG A 1 289 ? -9.764 7.438 -11.245 0.43 18.12 ? 279 A 1 +ATOM 4845 H HD3 A ARG A 1 289 ? -9.741 7.582 -12.76 0.57 28.1 ? 279 A 1 +ATOM 4846 H HD3 B ARG A 1 289 ? -9.898 6.84 -12.711 0.43 18.12 ? 279 A 1 +ATOM 4847 H HE A ARG A 1 289 ? -10.001 5.917 -10.708 0.57 28.3 ? 279 A 1 +ATOM 4848 H HE B ARG A 1 289 ? -9.283 4.85 -11.193 0.43 22.05 ? 279 A 1 +ATOM 4849 H HH11 A ARG A 1 289 ? -11.718 8.423 -12.163 0.57 24.74 ? 279 A 1 +ATOM 4850 H HH11 B ARG A 1 289 ? -11.874 6.873 -11.35 0.43 51.79 ? 279 A 1 +ATOM 4851 H HH12 A ARG A 1 289 ? -13.045 8.024 -11.618 0.57 24.74 ? 279 A 1 +ATOM 4852 H HH12 B ARG A 1 289 ? -12.874 5.918 -10.796 0.43 51.79 ? 279 A 1 +ATOM 4853 H HH21 A ARG A 1 289 ? -11.967 5.337 -9.935 0.57 31.34 ? 279 A 1 +ATOM 4854 H HH21 B ARG A 1 289 ? -10.782 3.384 -10.342 0.43 53.12 ? 279 A 1 +ATOM 4855 H HH22 A ARG A 1 289 ? -13.193 6.123 -10.248 0.57 31.34 ? 279 A 1 +ATOM 4856 H HH22 B ARG A 1 289 ? -12.207 3.786 -10.18 0.43 53.12 ? 279 A 1 +ATOM 4857 N N . GLU A 1 290 ? -4.871 5.486 -8.856 1.0 14.78 ? 280 A 1 +ATOM 4858 C CA . GLU A 1 290 ? -4.111 5.522 -7.613 1.0 14.08 ? 280 A 1 +ATOM 4859 C C . GLU A 1 290 ? -2.667 5.828 -7.892 1.0 15.54 ? 280 A 1 +ATOM 4860 O O . GLU A 1 290 ? -2.045 6.616 -7.184 1.0 16.11 ? 280 A 1 +ATOM 4861 C CB . GLU A 1 290 ? -4.247 4.158 -6.967 1.0 16.99 ? 280 A 1 +ATOM 4862 C CG . GLU A 1 290 ? -5.625 3.863 -6.447 1.0 20.6 ? 280 A 1 +ATOM 4863 C CD . GLU A 1 290 ? -6.556 3.107 -7.415 1.0 31.79 ? 280 A 1 +ATOM 4864 O OE1 . GLU A 1 290 ? -6.497 3.265 -8.668 1.0 21.47 ? 280 A 1 +ATOM 4865 O OE2 . GLU A 1 290 ? -7.387 2.336 -6.898 1.0 25.41 ? 280 A 1 +ATOM 4866 H H . GLU A 1 290 ? -5.234 4.724 -9.023 1.0 17.74 ? 280 A 1 +ATOM 4867 H HA . GLU A 1 290 ? -4.448 6.206 -7.014 1.0 16.89 ? 280 A 1 +ATOM 4868 H HB2 . GLU A 1 290 ? -4.029 3.479 -7.625 1.0 20.39 ? 280 A 1 +ATOM 4869 H HB3 . GLU A 1 290 ? -3.632 4.105 -6.22 1.0 20.39 ? 280 A 1 +ATOM 4870 H HG2 . GLU A 1 290 ? -5.539 3.321 -5.647 1.0 24.72 ? 280 A 1 +ATOM 4871 H HG3 . GLU A 1 290 ? -6.056 4.705 -6.232 1.0 24.72 ? 280 A 1 +ATOM 4872 N N . ILE A 1 291 ? -2.093 5.211 -8.931 1.0 15.11 ? 281 A 1 +ATOM 4873 C CA . ILE A 1 291 ? -0.709 5.482 -9.299 1.0 15.53 ? 281 A 1 +ATOM 4874 C C . ILE A 1 291 ? -0.566 6.951 -9.68 1.0 15.29 ? 281 A 1 +ATOM 4875 O O . ILE A 1 291 ? 0.371 7.64 -9.284 1.0 15.04 ? 281 A 1 +ATOM 4876 C CB . ILE A 1 291 ? -0.285 4.547 -10.457 1.0 15.51 ? 281 A 1 +ATOM 4877 C CG1 . ILE A 1 291 ? -0.239 3.087 -10.016 1.0 17.95 ? 281 A 1 +ATOM 4878 C CG2 . ILE A 1 291 ? 1.082 4.937 -10.971 1.0 17.98 ? 281 A 1 +ATOM 4879 C CD1 . ILE A 1 291 ? -0.096 2.099 -11.199 1.0 21.35 ? 281 A 1 +ATOM 4880 H H . ILE A 1 291 ? -2.486 4.634 -9.434 1.0 18.14 ? 281 A 1 +ATOM 4881 H HA . ILE A 1 291 ? -0.128 5.306 -8.542 1.0 18.64 ? 281 A 1 +ATOM 4882 H HB . ILE A 1 291 ? -0.951 4.644 -11.155 1.0 18.61 ? 281 A 1 +ATOM 4883 H HG12 . ILE A 1 291 ? 0.521 2.96 -9.427 1.0 21.54 ? 281 A 1 +ATOM 4884 H HG13 . ILE A 1 291 ? -1.061 2.874 -9.548 1.0 21.54 ? 281 A 1 +ATOM 4885 H HG21 . ILE A 1 291 ? 1.393 4.256 -11.588 1.0 21.57 ? 281 A 1 +ATOM 4886 H HG22 . ILE A 1 291 ? 1.017 5.791 -11.426 1.0 21.57 ? 281 A 1 +ATOM 4887 H HG23 . ILE A 1 291 ? 1.694 5.007 -10.221 1.0 21.57 ? 281 A 1 +ATOM 4888 H HD11 . ILE A 1 291 ? -0.294 1.202 -10.887 1.0 25.63 ? 281 A 1 +ATOM 4889 H HD12 . ILE A 1 291 ? -0.719 2.351 -11.898 1.0 25.63 ? 281 A 1 +ATOM 4890 H HD13 . ILE A 1 291 ? 0.813 2.139 -11.536 1.0 25.63 ? 281 A 1 +ATOM 4891 N N . THR A 1 292 ? -1.505 7.456 -10.483 1.0 13.87 ? 282 A 1 +ATOM 4892 C CA . THR A 1 292 ? -1.405 8.824 -10.976 1.0 14.02 ? 282 A 1 +ATOM 4893 C C . THR A 1 292 ? -1.496 9.821 -9.828 1.0 13.45 ? 282 A 1 +ATOM 4894 O O . THR A 1 292 ? -0.802 10.85 -9.833 1.0 14.58 ? 282 A 1 +ATOM 4895 C CB . THR A 1 292 ? -2.516 9.076 -12.0 1.0 12.56 ? 282 A 1 +ATOM 4896 O OG1 . THR A 1 292 ? -2.394 8.11 -13.079 1.0 13.87 ? 282 A 1 +ATOM 4897 C CG2 . THR A 1 292 ? -2.366 10.401 -12.662 1.0 13.54 ? 282 A 1 +ATOM 4898 H H . THR A 1 292 ? -2.201 7.03 -10.753 1.0 16.65 ? 282 A 1 +ATOM 4899 H HA . THR A 1 292 ? -0.553 8.954 -11.421 1.0 16.82 ? 282 A 1 +ATOM 4900 H HB . THR A 1 292 ? -3.364 9.023 -11.532 1.0 15.07 ? 282 A 1 +ATOM 4901 H HG1 . THR A 1 292 ? -2.497 7.331 -12.78 1.0 16.64 ? 282 A 1 +ATOM 4902 H HG21 . THR A 1 292 ? -3.024 10.495 -13.369 1.0 16.25 ? 282 A 1 +ATOM 4903 H HG22 . THR A 1 292 ? -2.494 11.112 -12.015 1.0 16.25 ? 282 A 1 +ATOM 4904 H HG23 . THR A 1 292 ? -1.478 10.481 -13.046 1.0 16.25 ? 282 A 1 +ATOM 4905 N N . LEU A 1 293 ? -2.291 9.51 -8.797 1.0 13.85 ? 283 A 1 +ATOM 4906 C CA . LEU A 1 293 ? -2.374 10.374 -7.605 1.0 13.32 ? 283 A 1 +ATOM 4907 C C . LEU A 1 293 ? -1.068 10.396 -6.82 1.0 14.7 ? 283 A 1 +ATOM 4908 O O . LEU A 1 293 ? -0.886 11.301 -6.004 1.0 14.77 ? 283 A 1 +ATOM 4909 C CB . LEU A 1 293 ? -3.53 9.902 -6.729 1.0 14.68 ? 283 A 1 +ATOM 4910 C CG . LEU A 1 293 ? -4.913 10.237 -7.259 1.0 14.0 ? 283 A 1 +ATOM 4911 C CD1 . LEU A 1 293 ? -5.984 9.473 -6.494 1.0 16.11 ? 283 A 1 +ATOM 4912 C CD2 . LEU A 1 293 ? -5.183 11.727 -7.197 1.0 15.45 ? 283 A 1 +ATOM 4913 H H . LEU A 1 293 ? -2.791 8.812 -8.76 1.0 16.62 ? 283 A 1 +ATOM 4914 H HA . LEU A 1 293 ? -2.556 11.289 -7.873 1.0 15.99 ? 283 A 1 +ATOM 4915 H HB2 . LEU A 1 293 ? -3.476 8.937 -6.645 1.0 17.62 ? 283 A 1 +ATOM 4916 H HB3 . LEU A 1 293 ? -3.443 10.317 -5.857 1.0 17.62 ? 283 A 1 +ATOM 4917 H HG . LEU A 1 293 ? -4.953 9.97 -8.19 1.0 16.81 ? 283 A 1 +ATOM 4918 H HD11 . LEU A 1 293 ? -6.855 9.704 -6.854 1.0 19.34 ? 283 A 1 +ATOM 4919 H HD12 . LEU A 1 293 ? -5.826 8.521 -6.597 1.0 19.34 ? 283 A 1 +ATOM 4920 H HD13 . LEU A 1 293 ? -5.938 9.717 -5.557 1.0 19.34 ? 283 A 1 +ATOM 4921 H HD21 . LEU A 1 293 ? -6.116 11.888 -7.41 1.0 18.54 ? 283 A 1 +ATOM 4922 H HD22 . LEU A 1 293 ? -4.989 12.046 -6.301 1.0 18.54 ? 283 A 1 +ATOM 4923 H HD23 . LEU A 1 293 ? -4.614 12.178 -7.839 1.0 18.54 ? 283 A 1 +ATOM 4924 N N . ARG A 1 294 ? -0.166 9.476 -7.048 1.0 15.13 ? 284 A 1 +ATOM 4925 C CA . ARG A 1 294 ? 1.154 9.482 -6.425 1.0 15.84 ? 284 A 1 +ATOM 4926 C C . ARG A 1 294 ? 2.211 10.103 -7.322 1.0 16.52 ? 284 A 1 +ATOM 4927 O O . ARG A 1 294 ? 3.374 10.2 -6.929 1.0 17.84 ? 284 A 1 +ATOM 4928 C CB . ARG A 1 294 ? 1.574 8.049 -6.068 1.0 17.48 ? 284 A 1 +ATOM 4929 C CG . ARG A 1 294 ? 0.662 7.414 -4.986 1.0 19.14 ? 284 A 1 +ATOM 4930 C CD . ARG A 1 294 ? 1.307 6.078 -4.463 1.0 30.02 ? 284 A 1 +ATOM 4931 N NE . ARG A 1 294 ? 2.318 6.354 -3.438 1.0 73.18 ? 284 A 1 +ATOM 4932 C CZ . ARG A 1 294 ? 3.384 5.599 -3.175 1.0 89.92 ? 284 A 1 +ATOM 4933 N NH1 . ARG A 1 294 ? 3.628 4.485 -3.855 1.0 51.61 ? 284 A 1 +ATOM 4934 N NH2 . ARG A 1 294 ? 4.225 5.971 -2.219 1.0 100.72 ? 284 A 1 +ATOM 4935 H H . ARG A 1 294 ? -0.289 8.81 -7.578 1.0 18.15 ? 284 A 1 +ATOM 4936 H HA . ARG A 1 294 ? 1.11 9.995 -5.603 1.0 19.0 ? 284 A 1 +ATOM 4937 H HB2 . ARG A 1 294 ? 1.526 7.498 -6.865 1.0 20.98 ? 284 A 1 +ATOM 4938 H HB3 . ARG A 1 294 ? 2.482 8.062 -5.728 1.0 20.98 ? 284 A 1 +ATOM 4939 H HG2 . ARG A 1 294 ? 0.564 8.026 -4.24 1.0 22.97 ? 284 A 1 +ATOM 4940 H HG3 . ARG A 1 294 ? -0.207 7.213 -5.367 1.0 22.97 ? 284 A 1 +ATOM 4941 H HD2 . ARG A 1 294 ? 0.619 5.517 -4.073 1.0 36.02 ? 284 A 1 +ATOM 4942 H HD3 . ARG A 1 294 ? 1.735 5.614 -5.2 1.0 36.02 ? 284 A 1 +ATOM 4943 H HE . ARG A 1 294 ? 2.214 7.066 -2.966 1.0 87.81 ? 284 A 1 +ATOM 4944 H HH11 . ARG A 1 294 ? 3.093 4.238 -4.481 1.0 61.93 ? 284 A 1 +ATOM 4945 H HH12 . ARG A 1 294 ? 4.321 4.011 -3.67 1.0 61.93 ? 284 A 1 +ATOM 4946 H HH21 . ARG A 1 294 ? 4.081 6.694 -1.776 1.0 120.86 ? 284 A 1 +ATOM 4947 H HH22 . ARG A 1 294 ? 4.916 5.489 -2.042 1.0 120.86 ? 284 A 1 +ATOM 4948 N N . CYS A 1 295 ? 1.828 10.621 -8.483 1.0 15.32 ? 285 A 1 +ATOM 4949 C CA . CYS A 1 295 ? 2.774 11.147 -9.477 1.0 16.0 ? 285 A 1 +ATOM 4950 C C . CYS A 1 295 ? 2.398 12.565 -9.853 1.0 15.85 ? 285 A 1 +ATOM 4951 O O . CYS A 1 295 ? 2.79 13.06 -10.916 1.0 16.11 ? 285 A 1 +ATOM 4952 C CB . CYS A 1 295 ? 2.801 10.294 -10.732 1.0 16.46 ? 285 A 1 +ATOM 4953 S SG . CYS A 1 295 ? 3.377 8.621 -10.485 1.0 18.77 ? 285 A 1 +ATOM 4954 H H . CYS A 1 295 ? 1.007 10.685 -8.73 1.0 18.39 ? 285 A 1 +ATOM 4955 H HA . CYS A 1 295 ? 3.666 11.13 -9.095 1.0 19.2 ? 285 A 1 +ATOM 4956 H HB2 . CYS A 1 295 ? 1.901 10.244 -11.09 1.0 19.75 ? 285 A 1 +ATOM 4957 H HB3 . CYS A 1 295 ? 3.391 10.715 -11.377 1.0 19.75 ? 285 A 1 +ATOM 4958 H HG . CYS A 1 295 ? 3.561 8.109 -11.554 1.0 22.52 ? 285 A 1 +ATOM 4959 N N . GLY A 1 296 ? 1.626 13.246 -9.021 1.0 15.1 ? 286 A 1 +ATOM 4960 C CA . GLY A 1 296 ? 1.323 14.655 -9.189 1.0 15.63 ? 286 A 1 +ATOM 4961 C C . GLY A 1 296 ? -0.133 15.012 -9.244 1.0 14.19 ? 286 A 1 +ATOM 4962 O O . GLY A 1 296 ? -0.457 16.189 -9.111 1.0 14.12 ? 286 A 1 +ATOM 4963 H H . GLY A 1 296 ? 1.254 12.9 -8.327 1.0 18.12 ? 286 A 1 +ATOM 4964 H HA2 . GLY A 1 296 ? 1.714 15.142 -8.447 1.0 18.76 ? 286 A 1 +ATOM 4965 H HA3 . GLY A 1 296 ? 1.729 14.959 -10.016 1.0 18.76 ? 286 A 1 +ATOM 4966 N N . ALA A 1 297 ? -1.062 14.073 -9.445 1.0 13.32 ? 287 A 1 +ATOM 4967 C CA . ALA A 1 297 ? -2.472 14.42 -9.489 1.0 13.4 ? 287 A 1 +ATOM 4968 C C . ALA A 1 297 ? -3.037 14.62 -8.084 1.0 13.87 ? 287 A 1 +ATOM 4969 O O . ALA A 1 297 ? -2.491 14.12 -7.09 1.0 14.37 ? 287 A 1 +ATOM 4970 C CB . ALA A 1 297 ? -3.264 13.333 -10.202 1.0 13.44 ? 287 A 1 +ATOM 4971 H H . ALA A 1 297 ? -0.897 13.237 -9.557 1.0 15.98 ? 287 A 1 +ATOM 4972 H HA . ALA A 1 297 ? -2.573 15.253 -9.977 1.0 16.08 ? 287 A 1 +ATOM 4973 H HB1 . ALA A 1 297 ? -4.204 13.572 -10.197 1.0 16.12 ? 287 A 1 +ATOM 4974 H HB2 . ALA A 1 297 ? -2.946 13.258 -11.116 1.0 16.12 ? 287 A 1 +ATOM 4975 H HB3 . ALA A 1 297 ? -3.134 12.491 -9.737 1.0 16.12 ? 287 A 1 +ATOM 4976 N N . ASN A 1 298 ? -4.139 15.383 -8.017 1.0 12.67 ? 288 A 1 +ATOM 4977 C CA . ASN A 1 298 ? -4.753 15.739 -6.733 1.0 13.15 ? 288 A 1 +ATOM 4978 C C . ASN A 1 298 ? -6.263 15.775 -6.81 1.0 13.06 ? 288 A 1 +ATOM 4979 O O . ASN A 1 298 ? -6.9 16.275 -5.851 1.0 14.08 ? 288 A 1 +ATOM 4980 C CB . ASN A 1 298 ? -4.226 17.094 -6.213 1.0 13.47 ? 288 A 1 +ATOM 4981 C CG . ASN A 1 298 ? -4.728 18.271 -7.012 1.0 13.36 ? 288 A 1 +ATOM 4982 O OD1 . ASN A 1 298 ? -4.674 18.228 -8.265 1.0 13.42 ? 288 A 1 +ATOM 4983 N ND2 . ASN A 1 298 ? -5.238 19.314 -6.39 1.0 14.77 ? 288 A 1 +ATOM 4984 H H . ASN A 1 298 ? -4.548 15.706 -8.701 1.0 15.2 ? 288 A 1 +ATOM 4985 H HA . ASN A 1 298 ? -4.503 15.067 -6.08 1.0 15.78 ? 288 A 1 +ATOM 4986 H HB2 . ASN A 1 298 ? -4.514 17.213 -5.294 1.0 16.16 ? 288 A 1 +ATOM 4987 H HB3 . ASN A 1 298 ? -3.257 17.094 -6.259 1.0 16.16 ? 288 A 1 +ATOM 4988 H HD21 . ASN A 1 298 ? -5.525 19.987 -6.842 1.0 17.73 ? 288 A 1 +ATOM 4989 H HD22 . ASN A 1 298 ? -5.283 19.322 -5.531 1.0 17.73 ? 288 A 1 +ATOM 4990 N N . VAL A 1 299 ? -6.871 15.274 -7.876 1.0 12.86 ? 289 A 1 +ATOM 4991 C CA . VAL A 1 299 ? -8.31 15.317 -8.095 1.0 13.08 ? 289 A 1 +ATOM 4992 C C . VAL A 1 299 ? -8.74 13.965 -8.621 1.0 13.06 ? 289 A 1 +ATOM 4993 O O . VAL A 1 299 ? -7.991 13.3 -9.349 1.0 13.05 ? 289 A 1 +ATOM 4994 C CB . VAL A 1 299 ? -8.661 16.443 -9.112 1.0 13.88 ? 289 A 1 +ATOM 4995 C CG1 . VAL A 1 299 ? -10.117 16.369 -9.581 1.0 15.36 ? 289 A 1 +ATOM 4996 C CG2 . VAL A 1 299 ? -8.3 17.794 -8.545 1.0 16.01 ? 289 A 1 +ATOM 4997 H H . VAL A 1 299 ? -6.452 14.885 -8.518 1.0 15.44 ? 289 A 1 +ATOM 4998 H HA . VAL A 1 299 ? -8.784 15.482 -7.264 1.0 15.7 ? 289 A 1 +ATOM 4999 H HB . VAL A 1 299 ? -8.128 16.312 -9.912 1.0 16.65 ? 289 A 1 +ATOM 5000 H HG11 . VAL A 1 299 ? -10.338 17.187 -10.053 1.0 18.43 ? 289 A 1 +ATOM 5001 H HG12 . VAL A 1 299 ? -10.221 15.607 -10.172 1.0 18.43 ? 289 A 1 +ATOM 5002 H HG13 . VAL A 1 299 ? -10.693 16.268 -8.807 1.0 18.43 ? 289 A 1 +ATOM 5003 H HG21 . VAL A 1 299 ? -8.548 18.481 -9.183 1.0 19.21 ? 289 A 1 +ATOM 5004 H HG22 . VAL A 1 299 ? -8.782 17.926 -7.713 1.0 19.21 ? 289 A 1 +ATOM 5005 H HG23 . VAL A 1 299 ? -7.345 17.823 -8.382 1.0 19.21 ? 289 A 1 +ATOM 5006 N N . ILE A 1 300 ? -9.931 13.535 -8.267 1.0 12.89 ? 290 A 1 +ATOM 5007 C CA . ILE A 1 300 ? -10.54 12.318 -8.827 1.0 14.42 ? 290 A 1 +ATOM 5008 C C . ILE A 1 300 ? -11.982 12.641 -9.162 1.0 13.75 ? 290 A 1 +ATOM 5009 O O . ILE A 1 300 ? -12.645 13.441 -8.492 1.0 14.5 ? 290 A 1 +ATOM 5010 C CB . ILE A 1 300 ? -10.38 11.118 -7.871 1.0 16.13 ? 290 A 1 +ATOM 5011 C CG1 . ILE A 1 300 ? -10.709 9.835 -8.632 1.0 21.15 ? 290 A 1 +ATOM 5012 C CG2 . ILE A 1 300 ? -11.193 11.294 -6.621 1.0 17.59 ? 290 A 1 +ATOM 5013 C CD1 . ILE A 1 300 ? -9.943 8.656 -8.217 1.0 27.33 ? 290 A 1 +ATOM 5014 H H . ILE A 1 300 ? -10.43 13.932 -7.69 1.0 15.47 ? 290 A 1 +ATOM 5015 H HA . ILE A 1 300 ? -10.108 12.061 -9.656 1.0 17.3 ? 290 A 1 +ATOM 5016 H HB . ILE A 1 300 ? -9.46 11.06 -7.569 1.0 19.36 ? 290 A 1 +ATOM 5017 H HG12 . ILE A 1 300 ? -11.649 9.632 -8.501 1.0 25.38 ? 290 A 1 +ATOM 5018 H HG13 . ILE A 1 300 ? -10.53 9.982 -9.574 1.0 25.38 ? 290 A 1 +ATOM 5019 H HG21 . ILE A 1 300 ? -10.957 10.595 -5.99 1.0 21.1 ? 290 A 1 +ATOM 5020 H HG22 . ILE A 1 300 ? -10.999 12.164 -6.239 1.0 21.1 ? 290 A 1 +ATOM 5021 H HG23 . ILE A 1 300 ? -12.134 11.233 -6.846 1.0 21.1 ? 290 A 1 +ATOM 5022 H HD11 . ILE A 1 300 ? -10.082 7.946 -8.863 1.0 32.79 ? 290 A 1 +ATOM 5023 H HD12 . ILE A 1 300 ? -9.002 8.889 -8.179 1.0 32.79 ? 290 A 1 +ATOM 5024 H HD13 . ILE A 1 300 ? -10.25 8.372 -7.342 1.0 32.79 ? 290 A 1 +ATOM 5025 N N . MET A 1 301 ? -12.454 12.078 -10.267 1.0 13.34 ? 291 A 1 +ATOM 5026 C CA A MET A 1 301 ? -13.744 12.428 -10.854 0.79 14.28 ? 291 A 1 +ATOM 5027 C CA B MET A 1 301 ? -13.761 12.428 -10.81 0.21 16.11 ? 291 A 1 +ATOM 5028 C C . MET A 1 301 ? -14.576 11.17 -11.0 1.0 14.17 ? 291 A 1 +ATOM 5029 O O . MET A 1 301 ? -14.69 10.632 -12.128 1.0 17.03 ? 291 A 1 +ATOM 5030 C CB A MET A 1 301 ? -13.575 13.266 -12.141 0.79 13.76 ? 291 A 1 +ATOM 5031 C CB B MET A 1 301 ? -13.637 13.174 -12.132 0.21 15.72 ? 291 A 1 +ATOM 5032 C CG A MET A 1 301 ? -12.496 14.398 -12.056 0.79 12.48 ? 291 A 1 +ATOM 5033 C CG B MET A 1 301 ? -12.942 14.508 -12.074 0.21 28.52 ? 291 A 1 +ATOM 5034 S SD A MET A 1 301 ? -12.217 15.406 -13.589 0.79 16.62 ? 291 A 1 +ATOM 5035 S SD B MET A 1 301 ? -13.546 15.49 -13.424 0.21 16.35 ? 291 A 1 +ATOM 5036 C CE A MET A 1 301 ? -13.684 16.485 -13.493 0.79 20.22 ? 291 A 1 +ATOM 5037 C CE B MET A 1 301 ? -12.146 16.559 -13.809 0.21 26.81 ? 291 A 1 +ATOM 5038 H H A MET A 1 301 ? -12.032 11.473 -10.709 0.79 16.01 ? 291 A 1 +ATOM 5039 H H B MET A 1 301 ? -12.031 11.485 -10.725 0.21 16.01 ? 291 A 1 +ATOM 5040 H HA A MET A 1 301 ? -14.242 12.996 -10.246 0.79 17.13 ? 291 A 1 +ATOM 5041 H HA B MET A 1 301 ? -14.203 13.001 -10.164 0.21 19.33 ? 291 A 1 +ATOM 5042 H HB2 A MET A 1 301 ? -13.317 12.672 -12.863 0.79 16.52 ? 291 A 1 +ATOM 5043 H HB2 B MET A 1 301 ? -13.136 12.617 -12.749 0.21 18.86 ? 291 A 1 +ATOM 5044 H HB3 A MET A 1 301 ? -14.424 13.688 -12.345 0.79 16.52 ? 291 A 1 +ATOM 5045 H HB3 B MET A 1 301 ? -14.53 13.331 -12.477 0.21 18.86 ? 291 A 1 +ATOM 5046 H HG2 A MET A 1 301 ? -12.763 15.016 -11.357 0.79 14.97 ? 291 A 1 +ATOM 5047 H HG2 B MET A 1 301 ? -13.143 14.955 -11.236 0.21 34.23 ? 291 A 1 +ATOM 5048 H HG3 A MET A 1 301 ? -11.647 13.988 -11.83 0.79 14.97 ? 291 A 1 +ATOM 5049 H HG3 B MET A 1 301 ? -11.983 14.391 -12.165 0.21 34.23 ? 291 A 1 +ATOM 5050 H HE1 A MET A 1 301 ? -13.599 17.192 -14.152 0.79 24.27 ? 291 A 1 +ATOM 5051 H HE1 B MET A 1 301 ? -12.322 17.022 -14.643 0.21 32.17 ? 291 A 1 +ATOM 5052 H HE2 A MET A 1 301 ? -14.477 15.957 -13.674 0.79 24.27 ? 291 A 1 +ATOM 5053 H HE2 B MET A 1 301 ? -12.032 17.201 -13.091 0.21 32.17 ? 291 A 1 +ATOM 5054 H HE3 A MET A 1 301 ? -13.737 16.867 -12.603 0.79 24.27 ? 291 A 1 +ATOM 5055 H HE3 B MET A 1 301 ? -11.347 16.015 -13.895 0.21 32.17 ? 291 A 1 +ATOM 5056 N N . PRO A 1 302 ? -15.185 10.667 -9.944 1.0 15.01 ? 292 A 1 +ATOM 5057 C CA . PRO A 1 302 ? -15.982 9.456 -10.073 1.0 15.86 ? 292 A 1 +ATOM 5058 C C . PRO A 1 302 ? -17.159 9.667 -11.004 1.0 14.73 ? 292 A 1 +ATOM 5059 O O . PRO A 1 302 ? -17.784 10.729 -11.032 1.0 16.22 ? 292 A 1 +ATOM 5060 C CB . PRO A 1 302 ? -16.44 9.184 -8.646 1.0 18.01 ? 292 A 1 +ATOM 5061 C CG . PRO A 1 302 ? -16.474 10.512 -7.996 1.0 15.66 ? 292 A 1 +ATOM 5062 C CD . PRO A 1 302 ? -15.295 11.231 -8.58 1.0 14.11 ? 292 A 1 +ATOM 5063 H HA . PRO A 1 302 ? -15.44 8.717 -10.391 1.0 19.04 ? 292 A 1 +ATOM 5064 H HB2 . PRO A 1 302 ? -17.321 8.778 -8.653 1.0 21.61 ? 292 A 1 +ATOM 5065 H HB3 . PRO A 1 302 ? -15.808 8.596 -8.203 1.0 21.61 ? 292 A 1 +ATOM 5066 H HG2 . PRO A 1 302 ? -17.303 10.967 -8.209 1.0 18.79 ? 292 A 1 +ATOM 5067 H HG3 . PRO A 1 302 ? -16.385 10.416 -7.035 1.0 18.79 ? 292 A 1 +ATOM 5068 H HD2 . PRO A 1 302 ? -15.457 12.186 -8.614 1.0 16.93 ? 292 A 1 +ATOM 5069 H HD3 . PRO A 1 302 ? -14.492 11.049 -8.067 1.0 16.93 ? 292 A 1 +ATOM 5070 N N A ASN A 1 303 ? -17.502 8.602 -11.731 0.56 16.61 ? 293 A 1 +ATOM 5071 N N B ASN A 1 303 ? -17.426 8.629 -11.778 0.44 13.76 ? 293 A 1 +ATOM 5072 C CA A ASN A 1 303 ? -18.61 8.647 -12.684 0.56 14.88 ? 293 A 1 +ATOM 5073 C CA B ASN A 1 303 ? -18.596 8.635 -12.625 0.44 13.56 ? 293 A 1 +ATOM 5074 C C A ASN A 1 303 ? -19.93 8.386 -11.967 0.56 13.98 ? 293 A 1 +ATOM 5075 C C B ASN A 1 303 ? -19.851 8.484 -11.779 0.44 13.59 ? 293 A 1 +ATOM 5076 O O A ASN A 1 303 ? -20.182 7.278 -11.461 0.56 14.74 ? 293 A 1 +ATOM 5077 O O B ASN A 1 303 ? -19.958 7.566 -10.962 0.44 14.63 ? 293 A 1 +ATOM 5078 C CB A ASN A 1 303 ? -18.372 7.607 -13.776 0.56 14.3 ? 293 A 1 +ATOM 5079 C CB B ASN A 1 303 ? -18.508 7.482 -13.616 0.44 20.63 ? 293 A 1 +ATOM 5080 C CG A ASN A 1 303 ? -19.485 7.557 -14.805 0.56 30.06 ? 293 A 1 +ATOM 5081 C CG B ASN A 1 303 ? -19.538 7.596 -14.689 0.44 13.54 ? 293 A 1 +ATOM 5082 O OD1 A ASN A 1 303 ? -20.399 8.396 -14.799 0.56 16.49 ? 293 A 1 +ATOM 5083 O OD1 B ASN A 1 303 ? -20.67 7.361 -14.457 0.44 14.55 ? 293 A 1 +ATOM 5084 N ND2 A ASN A 1 303 ? -19.394 6.572 -15.725 0.56 17.46 ? 293 A 1 +ATOM 5085 N ND2 B ASN A 1 303 ? -19.123 8.029 -15.851 0.44 23.14 ? 293 A 1 +ATOM 5086 H H A ASN A 1 303 ? -17.106 7.84 -11.69 0.56 19.93 ? 293 A 1 +ATOM 5087 H H B ASN A 1 303 ? -16.948 7.916 -11.828 0.44 16.51 ? 293 A 1 +ATOM 5088 H HA A ASN A 1 303 ? -18.661 9.532 -13.078 0.56 17.86 ? 293 A 1 +ATOM 5089 H HA B ASN A 1 303 ? -18.648 9.472 -13.112 0.44 16.27 ? 293 A 1 +ATOM 5090 H HB2 A ASN A 1 303 ? -17.547 7.821 -14.239 0.56 17.16 ? 293 A 1 +ATOM 5091 H HB2 B ASN A 1 303 ? -17.632 7.485 -14.033 0.44 24.76 ? 293 A 1 +ATOM 5092 H HB3 A ASN A 1 303 ? -18.305 6.731 -13.366 0.56 17.16 ? 293 A 1 +ATOM 5093 H HB3 B ASN A 1 303 ? -18.648 6.645 -13.147 0.44 24.76 ? 293 A 1 +ATOM 5094 H HD21 A ASN A 1 303 ? -19.996 6.494 -16.333 0.56 20.96 ? 293 A 1 +ATOM 5095 H HD21 B ASN A 1 303 ? -19.678 8.113 -16.502 0.44 27.77 ? 293 A 1 +ATOM 5096 H HD22 A ASN A 1 303 ? -18.733 6.022 -15.702 0.56 20.96 ? 293 A 1 +ATOM 5097 H HD22 B ASN A 1 303 ? -18.294 8.23 -15.963 0.44 27.77 ? 293 A 1 +ATOM 5098 N N . TRP A 1 304 ? -20.783 9.394 -11.958 1.0 14.13 ? 294 A 1 +ATOM 5099 C CA . TRP A 1 304 ? -22.063 9.365 -11.289 1.0 14.25 ? 294 A 1 +ATOM 5100 C C . TRP A 1 304 ? -23.214 9.284 -12.274 1.0 15.21 ? 294 A 1 +ATOM 5101 O O . TRP A 1 304 ? -24.363 9.541 -11.928 1.0 18.27 ? 294 A 1 +ATOM 5102 C CB . TRP A 1 304 ? -22.13 10.597 -10.354 1.0 14.6 ? 294 A 1 +ATOM 5103 C CG . TRP A 1 304 ? -23.199 10.535 -9.304 1.0 15.25 ? 294 A 1 +ATOM 5104 C CD1 . TRP A 1 304 ? -24.3 11.274 -9.209 1.0 15.45 ? 294 A 1 +ATOM 5105 C CD2 . TRP A 1 304 ? -23.216 9.624 -8.195 1.0 15.55 ? 294 A 1 +ATOM 5106 N NE1 . TRP A 1 304 ? -25.027 10.897 -8.077 1.0 17.37 ? 294 A 1 +ATOM 5107 C CE2 . TRP A 1 304 ? -24.352 9.906 -7.431 1.0 17.12 ? 294 A 1 +ATOM 5108 C CE3 . TRP A 1 304 ? -22.337 8.633 -7.764 1.0 15.77 ? 294 A 1 +ATOM 5109 C CZ2 . TRP A 1 304 ? -24.627 9.227 -6.252 1.0 18.83 ? 294 A 1 +ATOM 5110 C CZ3 . TRP A 1 304 ? -22.636 7.956 -6.586 1.0 18.62 ? 294 A 1 +ATOM 5111 C CH2 . TRP A 1 304 ? -23.747 8.279 -5.848 1.0 18.31 ? 294 A 1 +ATOM 5112 H H A TRP A 1 304 ? -20.633 10.142 -12.354 0.56 16.95 ? 294 A 1 +ATOM 5113 H H B TRP A 1 304 ? -20.695 10.067 -12.486 0.44 16.95 ? 294 A 1 +ATOM 5114 H HA . TRP A 1 304 ? -22.162 8.574 -10.735 1.0 17.1 ? 294 A 1 +ATOM 5115 H HB2 . TRP A 1 304 ? -21.278 10.684 -9.897 1.0 17.52 ? 294 A 1 +ATOM 5116 H HB3 . TRP A 1 304 ? -22.298 11.385 -10.895 1.0 17.52 ? 294 A 1 +ATOM 5117 H HD1 . TRP A 1 304 ? -24.549 11.941 -9.806 1.0 18.54 ? 294 A 1 +ATOM 5118 H HE1 . TRP A 1 304 ? -25.778 11.236 -7.829 1.0 20.85 ? 294 A 1 +ATOM 5119 H HE3 . TRP A 1 304 ? -21.57 8.431 -8.25 1.0 18.93 ? 294 A 1 +ATOM 5120 H HZ2 . TRP A 1 304 ? -25.391 9.417 -5.756 1.0 22.6 ? 294 A 1 +ATOM 5121 H HZ3 . TRP A 1 304 ? -22.075 7.273 -6.295 1.0 22.34 ? 294 A 1 +ATOM 5122 H HH2 . TRP A 1 304 ? -23.9 7.834 -5.046 1.0 21.97 ? 294 A 1 +ATOM 5123 N N . THR A 1 305 ? -22.96 8.942 -13.511 1.0 14.82 ? 295 A 1 +ATOM 5124 C CA . THR A 1 305 ? -24.058 8.792 -14.462 1.0 14.69 ? 295 A 1 +ATOM 5125 C C . THR A 1 305 ? -24.893 7.553 -14.085 1.0 15.2 ? 295 A 1 +ATOM 5126 O O . THR A 1 305 ? -24.325 6.484 -13.817 1.0 15.53 ? 295 A 1 +ATOM 5127 C CB . THR A 1 305 ? -23.483 8.584 -15.862 1.0 14.54 ? 295 A 1 +ATOM 5128 O OG1 . THR A 1 305 ? -22.582 9.663 -16.143 1.0 14.23 ? 295 A 1 +ATOM 5129 C CG2 . THR A 1 305 ? -24.555 8.544 -16.912 1.0 15.29 ? 295 A 1 +ATOM 5130 H H . THR A 1 305 ? -22.177 8.791 -13.833 1.0 17.78 ? 295 A 1 +ATOM 5131 H HA . THR A 1 305 ? -24.621 9.582 -14.449 1.0 17.63 ? 295 A 1 +ATOM 5132 H HB . THR A 1 305 ? -23.022 7.731 -15.896 1.0 17.45 ? 295 A 1 +ATOM 5133 H HG1 . THR A 1 305 ? -21.926 9.633 -15.62 1.0 17.08 ? 295 A 1 +ATOM 5134 H HG21 . THR A 1 305 ? -24.153 8.503 -17.794 1.0 18.35 ? 295 A 1 +ATOM 5135 H HG22 . THR A 1 305 ? -25.115 7.763 -16.785 1.0 18.35 ? 295 A 1 +ATOM 5136 H HG23 . THR A 1 305 ? -25.106 9.34 -16.854 1.0 18.35 ? 295 A 1 +ATOM 5137 N N . PRO A 1 306 ? -26.197 7.649 -14.022 1.0 15.67 ? 296 A 1 +ATOM 5138 C CA . PRO A 1 306 ? -26.985 6.502 -13.567 1.0 16.3 ? 296 A 1 +ATOM 5139 C C . PRO A 1 306 ? -27.216 5.476 -14.674 1.0 16.68 ? 296 A 1 +ATOM 5140 O O . PRO A 1 306 ? -27.173 5.79 -15.898 1.0 16.87 ? 296 A 1 +ATOM 5141 C CB . PRO A 1 306 ? -28.307 7.143 -13.109 1.0 18.73 ? 296 A 1 +ATOM 5142 C CG . PRO A 1 306 ? -28.434 8.37 -14.04 1.0 18.72 ? 296 A 1 +ATOM 5143 C CD . PRO A 1 306 ? -27.01 8.859 -14.196 1.0 15.94 ? 296 A 1 +ATOM 5144 H HA . PRO A 1 306 ? -26.554 6.065 -12.815 1.0 19.56 ? 296 A 1 +ATOM 5145 H HB2 . PRO A 1 306 ? -29.044 6.524 -13.234 1.0 22.47 ? 296 A 1 +ATOM 5146 H HB3 . PRO A 1 306 ? -28.251 7.408 -12.178 1.0 22.47 ? 296 A 1 +ATOM 5147 H HG2 . PRO A 1 306 ? -28.809 8.104 -14.895 1.0 22.46 ? 296 A 1 +ATOM 5148 H HG3 . PRO A 1 306 ? -28.994 9.046 -13.628 1.0 22.46 ? 296 A 1 +ATOM 5149 H HD2 . PRO A 1 306 ? -26.873 9.24 -15.077 1.0 19.12 ? 296 A 1 +ATOM 5150 H HD3 . PRO A 1 306 ? -26.797 9.515 -13.514 1.0 19.12 ? 296 A 1 +ATOM 5151 N N . SER A 1 307 ? -27.491 4.242 -14.263 1.0 17.22 ? 297 A 1 +ATOM 5152 C CA . SER A 1 307 ? -28.104 3.269 -15.135 1.0 17.84 ? 297 A 1 +ATOM 5153 C C . SER A 1 307 ? -29.438 3.83 -15.586 1.0 18.48 ? 297 A 1 +ATOM 5154 O O . SER A 1 307 ? -30.138 4.481 -14.798 1.0 20.74 ? 297 A 1 +ATOM 5155 C CB . SER A 1 307 ? -28.398 1.987 -14.352 1.0 21.77 ? 297 A 1 +ATOM 5156 O OG . SER A 1 307 ? -27.22 1.477 -13.82 1.0 26.42 ? 297 A 1 +ATOM 5157 H H . SER A 1 307 ? -27.328 3.946 -13.473 1.0 20.66 ? 297 A 1 +ATOM 5158 H HA . SER A 1 307 ? -27.526 3.072 -15.888 1.0 21.41 ? 297 A 1 +ATOM 5159 H HB2 . SER A 1 307 ? -29.014 2.187 -13.63 1.0 26.12 ? 297 A 1 +ATOM 5160 H HB3 . SER A 1 307 ? -28.789 1.33 -14.949 1.0 26.12 ? 297 A 1 +ATOM 5161 H HG . SER A 1 307 ? -26.669 1.326 -14.435 1.0 31.7 ? 297 A 1 +ATOM 5162 N N . PRO A 1 308 ? -29.875 3.548 -16.803 1.0 18.81 ? 298 A 1 +ATOM 5163 C CA . PRO A 1 308 ? -29.287 2.691 -17.843 1.0 19.51 ? 298 A 1 +ATOM 5164 C C . PRO A 1 308 ? -28.384 3.456 -18.794 1.0 19.19 ? 298 A 1 +ATOM 5165 O O . PRO A 1 308 ? -27.996 2.926 -19.874 1.0 21.47 ? 298 A 1 +ATOM 5166 C CB . PRO A 1 308 ? -30.524 2.185 -18.561 1.0 22.74 ? 298 A 1 +ATOM 5167 C CG . PRO A 1 308 ? -31.385 3.414 -18.625 1.0 21.38 ? 298 A 1 +ATOM 5168 C CD . PRO A 1 308 ? -31.225 4.003 -17.202 1.0 20.72 ? 298 A 1 +ATOM 5169 H HA . PRO A 1 308 ? -28.787 1.953 -17.461 1.0 23.41 ? 298 A 1 +ATOM 5170 H HB2 . PRO A 1 308 ? -30.296 1.863 -19.447 1.0 27.28 ? 298 A 1 +ATOM 5171 H HB3 . PRO A 1 308 ? -30.949 1.479 -18.05 1.0 27.28 ? 298 A 1 +ATOM 5172 H HG2 . PRO A 1 308 ? -31.057 4.025 -19.303 1.0 25.65 ? 298 A 1 +ATOM 5173 H HG3 . PRO A 1 308 ? -32.307 3.176 -18.81 1.0 25.65 ? 298 A 1 +ATOM 5174 H HD2 . PRO A 1 308 ? -31.272 4.972 -17.221 1.0 24.86 ? 298 A 1 +ATOM 5175 H HD3 . PRO A 1 308 ? -31.901 3.65 -16.603 1.0 24.86 ? 298 A 1 +ATOM 5176 N N . TYR A 1 309 ? -28.048 4.695 -18.476 1.0 17.4 ? 299 A 1 +ATOM 5177 C CA . TYR A 1 309 ? -27.313 5.569 -19.376 1.0 17.41 ? 299 A 1 +ATOM 5178 C C . TYR A 1 309 ? -25.84 5.37 -19.284 1.0 17.3 ? 299 A 1 +ATOM 5179 O O . TYR A 1 309 ? -25.127 5.583 -20.297 1.0 17.71 ? 299 A 1 +ATOM 5180 C CB . TYR A 1 309 ? -27.624 7.062 -19.091 1.0 16.55 ? 299 A 1 +ATOM 5181 C CG . TYR A 1 309 ? -29.097 7.333 -18.949 1.0 17.95 ? 299 A 1 +ATOM 5182 C CD1 . TYR A 1 309 ? -29.976 7.055 -19.948 1.0 19.37 ? 299 A 1 +ATOM 5183 C CD2 . TYR A 1 309 ? -29.591 7.86 -17.755 1.0 19.64 ? 299 A 1 +ATOM 5184 C CE1 . TYR A 1 309 ? -31.362 7.307 -19.788 1.0 20.15 ? 299 A 1 +ATOM 5185 C CE2 . TYR A 1 309 ? -30.955 8.118 -17.6 1.0 20.31 ? 299 A 1 +ATOM 5186 C CZ . TYR A 1 309 ? -31.798 7.858 -18.612 1.0 20.09 ? 299 A 1 +ATOM 5187 O OH . TYR A 1 309 ? -33.136 8.094 -18.468 1.0 25.16 ? 299 A 1 +ATOM 5188 H H . TYR A 1 309 ? -28.237 5.066 -17.723 1.0 20.88 ? 299 A 1 +ATOM 5189 H HA . TYR A 1 309 ? -27.608 5.362 -20.277 1.0 20.89 ? 299 A 1 +ATOM 5190 H HB2 . TYR A 1 309 ? -27.189 7.322 -18.264 1.0 19.86 ? 299 A 1 +ATOM 5191 H HB3 . TYR A 1 309 ? -27.289 7.6 -19.826 1.0 19.86 ? 299 A 1 +ATOM 5192 H HD1 . TYR A 1 309 ? -29.664 6.695 -20.747 1.0 23.24 ? 299 A 1 +ATOM 5193 H HD2 . TYR A 1 309 ? -29.005 8.042 -17.056 1.0 23.56 ? 299 A 1 +ATOM 5194 H HE1 . TYR A 1 309 ? -31.963 7.102 -20.467 1.0 24.18 ? 299 A 1 +ATOM 5195 H HE2 . TYR A 1 309 ? -31.277 8.468 -16.8 1.0 24.37 ? 299 A 1 +ATOM 5196 H HH . TYR A 1 309 ? -33.288 8.436 -17.716 1.0 30.2 ? 299 A 1 +ATOM 5197 N N . ARG A 1 310 ? -25.307 5.006 -18.114 1.0 16.47 ? 300 A 1 +ATOM 5198 C CA . ARG A 1 310 ? -23.862 5.016 -17.918 1.0 17.46 ? 300 A 1 +ATOM 5199 C C . ARG A 1 310 ? -23.14 4.226 -18.985 1.0 16.92 ? 300 A 1 +ATOM 5200 O O . ARG A 1 310 ? -22.094 4.662 -19.47 1.0 17.43 ? 300 A 1 +ATOM 5201 C CB . ARG A 1 310 ? -23.461 4.58 -16.489 1.0 18.08 ? 300 A 1 +ATOM 5202 C CG . ARG A 1 310 ? -23.861 3.226 -16.118 1.0 19.9 ? 300 A 1 +ATOM 5203 C CD . ARG A 1 310 ? -23.384 2.855 -14.689 1.0 22.89 ? 300 A 1 +ATOM 5204 N NE . ARG A 1 310 ? -23.852 1.494 -14.415 1.0 26.31 ? 300 A 1 +ATOM 5205 C CZ . ARG A 1 310 ? -23.528 0.76 -13.349 1.0 69.15 ? 300 A 1 +ATOM 5206 N NH1 . ARG A 1 310 ? -22.671 1.216 -12.48 1.0 30.14 ? 300 A 1 +ATOM 5207 N NH2 . ARG A 1 310 ? -24.04 -0.446 -13.169 1.0 34.75 ? 300 A 1 +ATOM 5208 H H . ARG A 1 310 ? -25.757 4.751 -17.427 1.0 19.77 ? 300 A 1 +ATOM 5209 H HA . ARG A 1 310 ? -23.569 5.937 -17.998 1.0 20.95 ? 300 A 1 +ATOM 5210 H HB2 . ARG A 1 310 ? -22.495 4.627 -16.415 1.0 21.7 ? 300 A 1 +ATOM 5211 H HB3 . ARG A 1 310 ? -23.873 5.188 -15.856 1.0 21.7 ? 300 A 1 +ATOM 5212 H HG2 . ARG A 1 310 ? -24.829 3.161 -16.142 1.0 23.88 ? 300 A 1 +ATOM 5213 H HG3 . ARG A 1 310 ? -23.471 2.594 -16.742 1.0 23.88 ? 300 A 1 +ATOM 5214 H HD2 . ARG A 1 310 ? -22.415 2.879 -14.641 1.0 27.47 ? 300 A 1 +ATOM 5215 H HD3 . ARG A 1 310 ? -23.764 3.465 -14.038 1.0 27.47 ? 300 A 1 +ATOM 5216 H HE . ARG A 1 310 ? -24.381 1.137 -14.991 1.0 31.58 ? 300 A 1 +ATOM 5217 H HH11 . ARG A 1 310 ? -22.314 1.99 -12.593 1.0 36.17 ? 300 A 1 +ATOM 5218 H HH12 . ARG A 1 310 ? -22.462 0.744 -11.792 1.0 36.17 ? 300 A 1 +ATOM 5219 H HH21 . ARG A 1 310 ? -24.591 -0.768 -13.745 1.0 41.69 ? 300 A 1 +ATOM 5220 H HH22 . ARG A 1 310 ? -23.822 -0.907 -12.477 1.0 41.69 ? 300 A 1 +ATOM 5221 N N . GLN A 1 311 ? -23.622 3.035 -19.295 1.0 17.02 ? 301 A 1 +ATOM 5222 C CA . GLN A 1 311 ? -22.952 2.165 -20.232 1.0 18.4 ? 301 A 1 +ATOM 5223 C C . GLN A 1 311 ? -22.954 2.708 -21.637 1.0 18.92 ? 301 A 1 +ATOM 5224 O O . GLN A 1 311 ? -22.175 2.216 -22.48 1.0 20.56 ? 301 A 1 +ATOM 5225 C CB . GLN A 1 311 ? -23.554 0.763 -20.219 1.0 20.57 ? 301 A 1 +ATOM 5226 C CG . GLN A 1 311 ? -24.981 0.661 -20.525 1.0 24.2 ? 301 A 1 +ATOM 5227 C CD . GLN A 1 311 ? -25.849 0.582 -19.299 1.0 63.45 ? 301 A 1 +ATOM 5228 O OE1 . GLN A 1 311 ? -25.677 1.347 -18.358 1.0 25.71 ? 301 A 1 +ATOM 5229 N NE2 . GLN A 1 311 ? -26.802 -0.349 -19.31 1.0 33.54 ? 301 A 1 +ATOM 5230 H H . GLN A 1 311 ? -24.347 2.705 -18.97 1.0 20.42 ? 301 A 1 +ATOM 5231 H HA . GLN A 1 311 ? -22.03 2.084 -19.942 1.0 22.08 ? 301 A 1 +ATOM 5232 H HB2 . GLN A 1 311 ? -23.083 0.227 -20.877 1.0 24.69 ? 301 A 1 +ATOM 5233 H HB3 . GLN A 1 311 ? -23.426 0.388 -19.334 1.0 24.69 ? 301 A 1 +ATOM 5234 H HG2 . GLN A 1 311 ? -25.25 1.445 -21.03 1.0 29.04 ? 301 A 1 +ATOM 5235 H HG3 . GLN A 1 311 ? -25.134 -0.14 -21.05 1.0 29.04 ? 301 A 1 +ATOM 5236 H HE21 . GLN A 1 311 ? -26.894 -0.863 -19.993 1.0 40.24 ? 301 A 1 +ATOM 5237 H HE22 . GLN A 1 311 ? -27.326 -0.435 -18.633 1.0 40.24 ? 301 A 1 +ATOM 5238 N N . LEU A 1 312 ? -23.787 3.697 -21.933 1.0 16.42 ? 302 A 1 +ATOM 5239 C CA . LEU A 1 312 ? -23.895 4.255 -23.284 1.0 16.46 ? 302 A 1 +ATOM 5240 C C . LEU A 1 312 ? -22.96 5.443 -23.5 1.0 15.77 ? 302 A 1 +ATOM 5241 O O . LEU A 1 312 ? -22.83 5.89 -24.672 1.0 15.8 ? 302 A 1 +ATOM 5242 C CB . LEU A 1 312 ? -25.346 4.678 -23.576 1.0 16.9 ? 302 A 1 +ATOM 5243 C CG . LEU A 1 312 ? -26.331 3.569 -23.443 1.0 17.68 ? 302 A 1 +ATOM 5244 C CD1 . LEU A 1 312 ? -27.744 4.09 -23.676 1.0 19.23 ? 302 A 1 +ATOM 5245 C CD2 . LEU A 1 312 ? -26.021 2.488 -24.407 1.0 20.07 ? 302 A 1 +ATOM 5246 H H . LEU A 1 312 ? -24.311 4.072 -21.363 1.0 19.7 ? 302 A 1 +ATOM 5247 H HA . LEU A 1 312 ? -23.662 3.567 -23.927 1.0 19.75 ? 302 A 1 +ATOM 5248 H HB2 . LEU A 1 312 ? -25.599 5.376 -22.951 1.0 20.28 ? 302 A 1 +ATOM 5249 H HB3 . LEU A 1 312 ? -25.396 5.013 -24.485 1.0 20.28 ? 302 A 1 +ATOM 5250 H HG . LEU A 1 312 ? -26.28 3.204 -22.546 1.0 21.22 ? 302 A 1 +ATOM 5251 H HD11 . LEU A 1 312 ? -28.371 3.356 -23.578 1.0 23.07 ? 302 A 1 +ATOM 5252 H HD12 . LEU A 1 312 ? -27.939 4.78 -23.023 1.0 23.07 ? 302 A 1 +ATOM 5253 H HD13 . LEU A 1 312 ? -27.802 4.457 -24.572 1.0 23.07 ? 302 A 1 +ATOM 5254 H HD21 . LEU A 1 312 ? -26.784 1.892 -24.469 1.0 24.08 ? 302 A 1 +ATOM 5255 H HD22 . LEU A 1 312 ? -25.836 2.881 -25.274 1.0 24.08 ? 302 A 1 +ATOM 5256 H HD23 . LEU A 1 312 ? -25.244 1.998 -24.093 1.0 24.08 ? 302 A 1 +ATOM 5257 N N . TYR A 1 313 ? -22.289 5.956 -22.488 1.0 15.68 ? 303 A 1 +ATOM 5258 C CA . TYR A 1 313 ? -21.38 7.093 -22.681 1.0 14.66 ? 303 A 1 +ATOM 5259 C C . TYR A 1 313 ? -20.004 6.561 -23.031 1.0 14.47 ? 303 A 1 +ATOM 5260 O O . TYR A 1 313 ? -19.031 6.683 -22.3 1.0 15.1 ? 303 A 1 +ATOM 5261 C CB . TYR A 1 313 ? -21.397 8.018 -21.48 1.0 15.6 ? 303 A 1 +ATOM 5262 C CG . TYR A 1 313 ? -20.821 9.362 -21.745 1.0 13.97 ? 303 A 1 +ATOM 5263 C CD1 . TYR A 1 313 ? -21.552 10.386 -22.332 1.0 13.97 ? 303 A 1 +ATOM 5264 C CD2 . TYR A 1 313 ? -19.541 9.635 -21.317 1.0 15.45 ? 303 A 1 +ATOM 5265 C CE1 . TYR A 1 313 ? -21.018 11.64 -22.503 1.0 13.67 ? 303 A 1 +ATOM 5266 C CE2 . TYR A 1 313 ? -19.02 10.894 -21.476 1.0 16.97 ? 303 A 1 +ATOM 5267 C CZ . TYR A 1 313 ? -19.748 11.872 -22.017 1.0 16.39 ? 303 A 1 +ATOM 5268 O OH . TYR A 1 313 ? -19.292 13.169 -22.168 1.0 19.86 ? 303 A 1 +ATOM 5269 H H . TYR A 1 313 ? -22.337 5.672 -21.678 1.0 18.82 ? 303 A 1 +ATOM 5270 H HA . TYR A 1 313 ? -21.682 7.629 -23.431 1.0 17.6 ? 303 A 1 +ATOM 5271 H HB2 . TYR A 1 313 ? -22.316 8.142 -21.196 1.0 18.72 ? 303 A 1 +ATOM 5272 H HB3 . TYR A 1 313 ? -20.881 7.611 -20.766 1.0 18.72 ? 303 A 1 +ATOM 5273 H HD1 . TYR A 1 313 ? -22.422 10.219 -22.615 1.0 16.76 ? 303 A 1 +ATOM 5274 H HD2 . TYR A 1 313 ? -19.03 8.966 -20.922 1.0 18.54 ? 303 A 1 +ATOM 5275 H HE1 . TYR A 1 313 ? -21.498 12.311 -22.932 1.0 16.4 ? 303 A 1 +ATOM 5276 H HE2 . TYR A 1 313 ? -18.149 11.068 -21.202 1.0 20.36 ? 303 A 1 +ATOM 5277 H HH . TYR A 1 313 ? -18.545 13.256 -21.794 1.0 23.84 ? 303 A 1 +ATOM 5278 N N . GLN A 1 314 ? -19.969 5.96 -24.216 1.0 14.85 ? 304 A 1 +ATOM 5279 C CA . GLN A 1 314 ? -18.878 5.075 -24.626 1.0 17.33 ? 304 A 1 +ATOM 5280 C C . GLN A 1 314 ? -17.781 5.827 -25.386 1.0 15.71 ? 304 A 1 +ATOM 5281 O O . GLN A 1 314 ? -17.565 5.592 -26.577 1.0 16.47 ? 304 A 1 +ATOM 5282 C CB A GLN A 1 314 ? -19.4 3.855 -25.415 0.79 17.21 ? 304 A 1 +ATOM 5283 C CG A GLN A 1 314 ? -20.194 2.877 -24.616 0.79 24.87 ? 304 A 1 +ATOM 5284 C CD A GLN A 1 314 ? -20.661 1.688 -25.458 0.79 73.53 ? 304 A 1 +ATOM 5285 O OE1 A GLN A 1 314 ? -20.007 1.285 -26.416 0.79 32.47 ? 304 A 1 +ATOM 5286 N NE2 A GLN A 1 314 ? -21.806 1.131 -25.1 0.79 31.79 ? 304 A 1 +ATOM 5287 H H . GLN A 1 314 ? -20.579 6.05 -24.816 1.0 17.81 ? 304 A 1 +ATOM 5288 H HA . GLN A 1 314 ? -18.475 4.736 -23.812 1.0 20.79 ? 304 A 1 +ATOM 5289 H HB2 A GLN A 1 314 ? -19.97 4.174 -26.132 0.79 20.65 ? 304 A 1 +ATOM 5290 H HB3 A GLN A 1 314 ? -18.639 3.379 -25.782 0.79 20.65 ? 304 A 1 +ATOM 5291 H HG2 A GLN A 1 314 ? -19.646 2.538 -23.891 0.79 29.84 ? 304 A 1 +ATOM 5292 H HG3 A GLN A 1 314 ? -20.979 3.321 -24.258 0.79 29.84 ? 304 A 1 +ATOM 5293 H HE21 A GLN A 1 314 ? -22.243 1.441 -24.427 0.79 38.15 ? 304 A 1 +ATOM 5294 H HE22 A GLN A 1 314 ? -22.113 0.46 -25.54 0.79 38.15 ? 304 A 1 +ATOM 5295 N N . LEU A 1 315 ? -17.1 6.765 -24.716 1.0 15.71 ? 305 A 1 +ATOM 5296 C CA . LEU A 1 315 ? -16.03 7.542 -25.374 1.0 15.41 ? 305 A 1 +ATOM 5297 C C . LEU A 1 315 ? -14.989 6.586 -25.921 1.0 16.25 ? 305 A 1 +ATOM 5298 O O . LEU A 1 315 ? -14.458 6.787 -27.031 1.0 15.31 ? 305 A 1 +ATOM 5299 C CB . LEU A 1 315 ? -15.346 8.461 -24.376 1.0 15.3 ? 305 A 1 +ATOM 5300 C CG . LEU A 1 315 ? -16.209 9.51 -23.675 1.0 15.67 ? 305 A 1 +ATOM 5301 C CD1 . LEU A 1 315 ? -15.35 10.234 -22.596 1.0 16.07 ? 305 A 1 +ATOM 5302 C CD2 . LEU A 1 315 ? -16.79 10.509 -24.636 1.0 16.96 ? 305 A 1 +ATOM 5303 H H . LEU A 1 315 ? -17.232 6.972 -23.892 1.0 18.86 ? 305 A 1 +ATOM 5304 H HA . LEU A 1 315 ? -16.42 8.083 -26.078 1.0 18.49 ? 305 A 1 +ATOM 5305 H HB2 . LEU A 1 315 ? -14.958 7.907 -23.681 1.0 18.36 ? 305 A 1 +ATOM 5306 H HB3 . LEU A 1 315 ? -14.647 8.941 -24.847 1.0 18.36 ? 305 A 1 +ATOM 5307 H HG . LEU A 1 315 ? -16.961 9.063 -23.256 1.0 18.8 ? 305 A 1 +ATOM 5308 H HD11 . LEU A 1 315 ? -15.9 10.894 -22.145 1.0 19.28 ? 305 A 1 +ATOM 5309 H HD12 . LEU A 1 315 ? -15.028 9.579 -21.957 1.0 19.28 ? 305 A 1 +ATOM 5310 H HD13 . LEU A 1 315 ? -14.599 10.669 -23.03 1.0 19.28 ? 305 A 1 +ATOM 5311 H HD21 . LEU A 1 315 ? -17.342 11.136 -24.144 1.0 20.35 ? 305 A 1 +ATOM 5312 H HD22 . LEU A 1 315 ? -16.066 10.982 -25.076 1.0 20.35 ? 305 A 1 +ATOM 5313 H HD23 . LEU A 1 315 ? -17.327 10.04 -25.293 1.0 20.35 ? 305 A 1 +ATOM 5314 N N . TYR A 1 316 ? -14.673 5.548 -25.152 1.0 14.82 ? 306 A 1 +ATOM 5315 C CA . TYR A 1 316 ? -13.669 4.543 -25.473 1.0 16.82 ? 306 A 1 +ATOM 5316 C C . TYR A 1 316 ? -14.016 3.255 -24.754 1.0 15.9 ? 306 A 1 +ATOM 5317 O O . TYR A 1 316 ? -14.711 3.276 -23.721 1.0 17.33 ? 306 A 1 +ATOM 5318 C CB . TYR A 1 316 ? -12.248 5.01 -25.07 1.0 16.15 ? 306 A 1 +ATOM 5319 C CG . TYR A 1 316 ? -12.156 5.626 -23.698 1.0 14.71 ? 306 A 1 +ATOM 5320 C CD1 . TYR A 1 316 ? -12.046 4.836 -22.566 1.0 16.48 ? 306 A 1 +ATOM 5321 C CD2 . TYR A 1 316 ? -12.173 6.982 -23.535 1.0 14.18 ? 306 A 1 +ATOM 5322 C CE1 . TYR A 1 316 ? -11.97 5.433 -21.302 1.0 15.72 ? 306 A 1 +ATOM 5323 C CE2 . TYR A 1 316 ? -12.12 7.56 -22.279 1.0 15.35 ? 306 A 1 +ATOM 5324 C CZ . TYR A 1 316 ? -12.041 6.764 -21.184 1.0 13.22 ? 306 A 1 +ATOM 5325 O OH . TYR A 1 316 ? -11.957 7.319 -19.915 1.0 16.85 ? 306 A 1 +ATOM 5326 H H . TYR A 1 316 ? -15.05 5.395 -24.394 1.0 17.78 ? 306 A 1 +ATOM 5327 H HA . TYR A 1 316 ? -13.683 4.374 -26.428 1.0 20.18 ? 306 A 1 +ATOM 5328 H HB2 . TYR A 1 316 ? -11.655 4.242 -25.086 1.0 19.38 ? 306 A 1 +ATOM 5329 H HB3 . TYR A 1 316 ? -11.948 5.675 -25.71 1.0 19.38 ? 306 A 1 +ATOM 5330 H HD1 . TYR A 1 316 ? -12.022 3.909 -22.646 1.0 19.77 ? 306 A 1 +ATOM 5331 H HD2 . TYR A 1 316 ? -12.223 7.529 -24.286 1.0 17.01 ? 306 A 1 +ATOM 5332 H HE1 . TYR A 1 316 ? -11.87 4.904 -20.543 1.0 18.87 ? 306 A 1 +ATOM 5333 H HE2 . TYR A 1 316 ? -12.138 8.485 -22.187 1.0 18.42 ? 306 A 1 +ATOM 5334 H HH . TYR A 1 316 ? -12.029 8.154 -19.961 1.0 20.21 ? 306 A 1 +ATOM 5335 N N . PRO A 1 317 ? -13.536 2.128 -25.241 1.0 17.12 ? 307 A 1 +ATOM 5336 C CA . PRO A 1 317 ? -13.842 0.847 -24.607 1.0 18.02 ? 307 A 1 +ATOM 5337 C C . PRO A 1 317 ? -13.255 0.758 -23.21 1.0 18.07 ? 307 A 1 +ATOM 5338 O O . PRO A 1 317 ? -12.182 1.317 -22.92 1.0 19.39 ? 307 A 1 +ATOM 5339 C CB . PRO A 1 317 ? -13.237 -0.198 -25.558 1.0 20.8 ? 307 A 1 +ATOM 5340 C CG . PRO A 1 317 ? -12.238 0.542 -26.322 1.0 23.69 ? 307 A 1 +ATOM 5341 C CD . PRO A 1 317 ? -12.718 1.944 -26.454 1.0 18.49 ? 307 A 1 +ATOM 5342 H HA . PRO A 1 317 ? -14.801 0.708 -24.563 1.0 21.62 ? 307 A 1 +ATOM 5343 H HB2 . PRO A 1 317 ? -12.827 -0.914 -25.048 1.0 24.96 ? 307 A 1 +ATOM 5344 H HB3 . PRO A 1 317 ? -13.926 -0.558 -26.139 1.0 24.96 ? 307 A 1 +ATOM 5345 H HG2 . PRO A 1 317 ? -11.392 0.519 -25.848 1.0 28.42 ? 307 A 1 +ATOM 5346 H HG3 . PRO A 1 317 ? -12.139 0.135 -27.197 1.0 28.42 ? 307 A 1 +ATOM 5347 H HD2 . PRO A 1 317 ? -11.974 2.566 -26.468 1.0 22.19 ? 307 A 1 +ATOM 5348 H HD3 . PRO A 1 317 ? -13.256 2.052 -27.254 1.0 22.19 ? 307 A 1 +ATOM 5349 N N . GLY A 1 318 ? -13.971 0.031 -22.367 1.0 19.52 ? 308 A 1 +ATOM 5350 C CA . GLY A 1 318 ? -13.543 -0.183 -20.986 1.0 19.47 ? 308 A 1 +ATOM 5351 C C . GLY A 1 318 ? -13.8 0.961 -20.06 1.0 19.42 ? 308 A 1 +ATOM 5352 O O . GLY A 1 318 ? -13.447 0.854 -18.878 1.0 19.58 ? 308 A 1 +ATOM 5353 H H . GLY A 1 318 ? -14.714 -0.353 -22.567 1.0 23.43 ? 308 A 1 +ATOM 5354 H HA2 . GLY A 1 318 ? -14.007 -0.958 -20.634 1.0 23.37 ? 308 A 1 +ATOM 5355 H HA3 . GLY A 1 318 ? -12.589 -0.358 -20.981 1.0 23.37 ? 308 A 1 +ATOM 5356 N N . LYS A 1 319 ? -14.383 2.061 -20.539 1.0 20.14 ? 309 A 1 +ATOM 5357 C CA . LYS A 1 319 ? -14.572 3.242 -19.69 1.0 18.89 ? 309 A 1 +ATOM 5358 C C . LYS A 1 319 ? -15.468 2.964 -18.5 1.0 21.67 ? 309 A 1 +ATOM 5359 O O . LYS A 1 319 ? -15.23 3.451 -17.389 1.0 20.12 ? 309 A 1 +ATOM 5360 C CB . LYS A 1 319 ? -15.172 4.345 -20.494 1.0 17.63 ? 309 A 1 +ATOM 5361 C CG . LYS A 1 319 ? -15.379 5.642 -19.676 1.0 18.42 ? 309 A 1 +ATOM 5362 C CD . LYS A 1 319 ? -15.923 6.751 -20.479 1.0 20.1 ? 309 A 1 +ATOM 5363 C CE . LYS A 1 319 ? -16.266 7.969 -19.631 1.0 19.54 ? 309 A 1 +ATOM 5364 N NZ . LYS A 1 319 ? -17.229 7.634 -18.517 1.0 22.39 ? 309 A 1 +ATOM 5365 H H . LYS A 1 319 ? -14.676 2.151 -21.343 1.0 24.17 ? 309 A 1 +ATOM 5366 H HA . LYS A 1 319 ? -13.701 3.508 -19.358 1.0 22.67 ? 309 A 1 +ATOM 5367 H HB2 . LYS A 1 319 ? -14.583 4.55 -21.237 1.0 21.16 ? 309 A 1 +ATOM 5368 H HB3 . LYS A 1 319 ? -16.037 4.059 -20.826 1.0 21.16 ? 309 A 1 +ATOM 5369 H HG2 . LYS A 1 319 ? -16.001 5.464 -18.954 1.0 22.1 ? 309 A 1 +ATOM 5370 H HG3 . LYS A 1 319 ? -14.525 5.927 -19.315 1.0 22.1 ? 309 A 1 +ATOM 5371 H HD2 . LYS A 1 319 ? -15.264 7.02 -21.139 1.0 24.12 ? 309 A 1 +ATOM 5372 H HD3 . LYS A 1 319 ? -16.734 6.455 -20.922 1.0 24.12 ? 309 A 1 +ATOM 5373 H HE2 . LYS A 1 319 ? -15.453 8.319 -19.233 1.0 23.45 ? 309 A 1 +ATOM 5374 H HE3 . LYS A 1 319 ? -16.677 8.644 -20.194 1.0 23.45 ? 309 A 1 +ATOM 5375 H HZ1 . LYS A 1 319 ? -17.493 8.379 -18.109 1.0 26.86 ? 309 A 1 +ATOM 5376 H HZ2 . LYS A 1 319 ? -17.942 7.217 -18.847 1.0 26.86 ? 309 A 1 +ATOM 5377 H HZ3 . LYS A 1 319 ? -16.833 7.103 -17.922 1.0 26.86 ? 309 A 1 +ATOM 5378 N N . ILE A 1 320 ? -16.517 2.178 -18.712 1.0 24.59 ? 310 A 1 +ATOM 5379 C CA . ILE A 1 320 ? -17.585 1.995 -17.76 1.0 22.85 ? 310 A 1 +ATOM 5380 C C . ILE A 1 320 ? -17.492 0.581 -17.212 1.0 24.84 ? 310 A 1 +ATOM 5381 O O . ILE A 1 320 ? -17.293 -0.355 -17.989 1.0 29.21 ? 310 A 1 +ATOM 5382 C CB . ILE A 1 320 ? -18.937 2.218 -18.478 1.0 24.18 ? 310 A 1 +ATOM 5383 C CG1 . ILE A 1 320 ? -18.993 3.639 -19.055 1.0 32.19 ? 310 A 1 +ATOM 5384 C CG2 . ILE A 1 320 ? -20.087 2.001 -17.498 1.0 26.48 ? 310 A 1 +ATOM 5385 C CD1 . ILE A 1 320 ? -19.09 3.684 -20.578 1.0 31.92 ? 310 A 1 +ATOM 5386 H H . ILE A 1 320 ? -16.629 1.723 -19.434 1.0 29.51 ? 310 A 1 +ATOM 5387 H HA . ILE A 1 320 ? -17.497 2.609 -17.014 1.0 27.42 ? 310 A 1 +ATOM 5388 H HB . ILE A 1 320 ? -19.018 1.581 -19.205 1.0 29.02 ? 310 A 1 +ATOM 5389 H HG12 . ILE A 1 320 ? -19.772 4.091 -18.696 1.0 38.62 ? 310 A 1 +ATOM 5390 H HG13 . ILE A 1 320 ? -18.186 4.112 -18.797 1.0 38.62 ? 310 A 1 +ATOM 5391 H HG21 . ILE A 1 320 ? -20.915 2.29 -17.914 1.0 31.77 ? 310 A 1 +ATOM 5392 H HG22 . ILE A 1 320 ? -20.14 1.058 -17.277 1.0 31.77 ? 310 A 1 +ATOM 5393 H HG23 . ILE A 1 320 ? -19.921 2.52 -16.696 1.0 31.77 ? 310 A 1 +ATOM 5394 H HD11 . ILE A 1 320 ? -19.127 4.61 -20.865 1.0 38.3 ? 310 A 1 +ATOM 5395 H HD12 . ILE A 1 320 ? -18.31 3.251 -20.958 1.0 38.3 ? 310 A 1 +ATOM 5396 H HD13 . ILE A 1 320 ? -19.895 3.219 -20.857 1.0 38.3 ? 310 A 1 +ATOM 5397 N N . SER A 1 321 ? -17.602 0.404 -15.902 1.0 22.11 ? 311 A 1 +ATOM 5398 C CA . SER A 1 321 ? -17.868 -0.902 -15.328 1.0 26.14 ? 311 A 1 +ATOM 5399 C C . SER A 1 321 ? -19.333 -0.976 -14.938 1.0 20.64 ? 311 A 1 +ATOM 5400 O O . SER A 1 321 ? -19.854 -0.039 -14.314 1.0 27.49 ? 311 A 1 +ATOM 5401 C CB . SER A 1 321 ? -17.051 -1.185 -14.068 1.0 24.66 ? 311 A 1 +ATOM 5402 O OG . SER A 1 321 ? -17.387 -2.461 -13.589 1.0 26.64 ? 311 A 1 +ATOM 5403 H H . SER A 1 321 ? -17.524 1.033 -15.321 1.0 26.53 ? 311 A 1 +ATOM 5404 H HA . SER A 1 321 ? -17.636 -1.569 -15.993 1.0 31.37 ? 311 A 1 +ATOM 5405 H HB2 . SER A 1 321 ? -16.105 -1.157 -14.282 1.0 29.59 ? 311 A 1 +ATOM 5406 H HB3 . SER A 1 321 ? -17.257 -0.52 -13.392 1.0 29.59 ? 311 A 1 +ATOM 5407 H HG . SER A 1 321 ? -16.962 -2.624 -12.883 1.0 31.97 ? 311 A 1 +ATOM 5408 N N . VAL A 1 322 ? -19.937 -2.097 -15.243 1.0 23.31 ? 312 A 1 +ATOM 5409 C CA . VAL A 1 322 ? -21.317 -2.34 -14.845 1.0 24.23 ? 312 A 1 +ATOM 5410 C C . VAL A 1 322 ? -21.434 -3.435 -13.791 1.0 22.2 ? 312 A 1 +ATOM 5411 O O . VAL A 1 322 ? -22.501 -3.895 -13.508 1.0 23.1 ? 312 A 1 +ATOM 5412 C CB . VAL A 1 322 ? -22.224 -2.624 -16.05 1.0 40.4 ? 312 A 1 +ATOM 5413 C CG1 . VAL A 1 322 ? -22.41 -1.349 -16.863 1.0 38.25 ? 312 A 1 +ATOM 5414 C CG2 . VAL A 1 322 ? -21.653 -3.767 -16.876 1.0 27.49 ? 312 A 1 +ATOM 5415 H H . VAL A 1 322 ? -19.574 -2.741 -15.682 1.0 27.98 ? 312 A 1 +ATOM 5416 H HA . VAL A 1 322 ? -21.632 -1.522 -14.43 1.0 29.07 ? 312 A 1 +ATOM 5417 H HB . VAL A 1 322 ? -23.103 -2.905 -15.753 1.0 48.47 ? 312 A 1 +ATOM 5418 H HG11 . VAL A 1 322 ? -22.988 -1.537 -17.618 1.0 45.91 ? 312 A 1 +ATOM 5419 H HG12 . VAL A 1 322 ? -22.814 -0.671 -16.299 1.0 45.91 ? 312 A 1 +ATOM 5420 H HG13 . VAL A 1 322 ? -21.544 -1.045 -17.176 1.0 45.91 ? 312 A 1 +ATOM 5421 H HG21 . VAL A 1 322 ? -22.284 -3.995 -17.577 1.0 32.99 ? 312 A 1 +ATOM 5422 H HG22 . VAL A 1 322 ? -20.811 -3.485 -17.266 1.0 32.99 ? 312 A 1 +ATOM 5423 H HG23 . VAL A 1 322 ? -21.51 -4.533 -16.298 1.0 32.99 ? 312 A 1 +ATOM 5424 N N . PHE A 1 323 ? -20.31 -3.785 -13.16 1.0 23.98 ? 313 A 1 +ATOM 5425 C CA . PHE A 1 323 ? -20.31 -4.833 -12.176 1.0 25.04 ? 313 A 1 +ATOM 5426 C C . PHE A 1 323 ? -20.889 -4.409 -10.834 1.0 25.55 ? 313 A 1 +ATOM 5427 O O . PHE A 1 323 ? -21.292 -5.278 -10.057 1.0 31.7 ? 313 A 1 +ATOM 5428 C CB . PHE A 1 323 ? -18.858 -5.33 -11.995 1.0 31.16 ? 313 A 1 +ATOM 5429 C CG . PHE A 1 323 ? -18.69 -6.807 -12.186 1.0 29.22 ? 313 A 1 +ATOM 5430 C CD1 . PHE A 1 323 ? -19.032 -7.409 -13.373 1.0 33.8 ? 313 A 1 +ATOM 5431 C CD2 . PHE A 1 323 ? -18.142 -7.577 -11.188 1.0 32.48 ? 313 A 1 +ATOM 5432 C CE1 . PHE A 1 323 ? -18.87 -8.785 -13.528 1.0 36.76 ? 313 A 1 +ATOM 5433 C CE2 . PHE A 1 323 ? -17.981 -8.924 -11.345 1.0 40.01 ? 313 A 1 +ATOM 5434 C CZ . PHE A 1 323 ? -18.351 -9.517 -12.532 1.0 43.86 ? 313 A 1 +ATOM 5435 H H . PHE A 1 323 ? -19.542 -3.422 -13.294 1.0 28.78 ? 313 A 1 +ATOM 5436 H HA . PHE A 1 323 ? -20.861 -5.567 -12.489 1.0 30.04 ? 313 A 1 +ATOM 5437 H HB2 . PHE A 1 323 ? -18.293 -4.883 -12.644 1.0 37.39 ? 313 A 1 +ATOM 5438 H HB3 . PHE A 1 323 ? -18.565 -5.114 -11.096 1.0 37.39 ? 313 A 1 +ATOM 5439 H HD1 . PHE A 1 323 ? -19.372 -6.899 -14.073 1.0 40.56 ? 313 A 1 +ATOM 5440 H HD2 . PHE A 1 323 ? -17.877 -7.175 -10.393 1.0 38.97 ? 313 A 1 +ATOM 5441 H HE1 . PHE A 1 323 ? -19.121 -9.195 -14.323 1.0 44.11 ? 313 A 1 +ATOM 5442 H HE2 . PHE A 1 323 ? -17.624 -9.437 -10.656 1.0 48.01 ? 313 A 1 +ATOM 5443 H HZ . PHE A 1 323 ? -18.241 -10.434 -12.643 1.0 52.63 ? 313 A 1 +ATOM 5444 N N . GLU A 1 324 ? -20.959 -3.11 -10.558 1.0 24.69 ? 314 A 1 +ATOM 5445 C CA . GLU A 1 324 ? -21.51 -2.624 -9.29 1.0 24.5 ? 314 A 1 +ATOM 5446 C C . GLU A 1 324 ? -22.658 -1.64 -9.554 1.0 25.68 ? 314 A 1 +ATOM 5447 O O . GLU A 1 324 ? -22.822 -1.103 -10.658 1.0 24.92 ? 314 A 1 +ATOM 5448 C CB . GLU A 1 324 ? -20.437 -1.928 -8.438 1.0 27.86 ? 314 A 1 +ATOM 5449 C CG . GLU A 1 324 ? -19.16 -2.751 -8.139 1.0 52.87 ? 314 A 1 +ATOM 5450 C CD . GLU A 1 324 ? -19.422 -3.945 -7.245 1.0 83.51 ? 314 A 1 +ATOM 5451 O OE1 . GLU A 1 324 ? -20.33 -3.856 -6.393 1.0 102.39 ? 314 A 1 +ATOM 5452 O OE2 . GLU A 1 324 ? -18.723 -4.974 -7.392 1.0 83.86 ? 314 A 1 +ATOM 5453 H H . GLU A 1 324 ? -20.694 -2.487 -11.088 1.0 29.63 ? 314 A 1 +ATOM 5454 H HA . GLU A 1 324 ? -21.859 -3.381 -8.793 1.0 29.4 ? 314 A 1 +ATOM 5455 H HB2 . GLU A 1 324 ? -20.156 -1.124 -8.903 1.0 33.43 ? 314 A 1 +ATOM 5456 H HB3 . GLU A 1 324 ? -20.833 -1.695 -7.584 1.0 33.43 ? 314 A 1 +ATOM 5457 H HG2 . GLU A 1 324 ? -18.794 -3.079 -8.975 1.0 63.44 ? 314 A 1 +ATOM 5458 H HG3 . GLU A 1 324 ? -18.514 -2.18 -7.695 1.0 63.44 ? 314 A 1 +ATOM 5459 N N . LYS A 1 325 ? -23.476 -1.436 -8.531 1.0 25.65 ? 315 A 1 +ATOM 5460 C CA . LYS A 1 325 ? -24.557 -0.449 -8.595 1.0 25.72 ? 315 A 1 +ATOM 5461 C C . LYS A 1 325 ? -24.026 0.953 -8.89 1.0 21.53 ? 315 A 1 +ATOM 5462 O O . LYS A 1 325 ? -22.887 1.295 -8.589 1.0 21.86 ? 315 A 1 +ATOM 5463 C CB . LYS A 1 325 ? -25.325 -0.44 -7.254 1.0 31.43 ? 315 A 1 +ATOM 5464 C CG . LYS A 1 325 ? -24.549 0.06 -6.041 1.0 73.12 ? 315 A 1 +ATOM 5465 C CD . LYS A 1 325 ? -25.355 -0.162 -4.756 1.0 65.48 ? 315 A 1 +ATOM 5466 H H . LYS A 1 325 ? -23.431 -1.855 -7.781 1.0 30.78 ? 315 A 1 +ATOM 5467 H HA . LYS A 1 325 ? -25.163 -0.689 -9.313 1.0 30.86 ? 315 A 1 +ATOM 5468 H HB2 . LYS A 1 325 ? -26.101 0.132 -7.353 1.0 37.72 ? 315 A 1 +ATOM 5469 H HB3 . LYS A 1 325 ? -25.605 -1.349 -7.059 1.0 37.72 ? 315 A 1 +ATOM 5470 H HG2 . LYS A 1 325 ? -23.712 -0.424 -5.969 1.0 87.74 ? 315 A 1 +ATOM 5471 H HG3 . LYS A 1 325 ? -24.376 1.01 -6.137 1.0 87.74 ? 315 A 1 +ATOM 5472 N N . ASP A 1 326 ? -24.868 1.794 -9.538 1.0 19.92 ? 316 A 1 +ATOM 5473 C CA . ASP A 1 326 ? -24.454 3.09 -10.013 1.0 18.3 ? 316 A 1 +ATOM 5474 C C . ASP A 1 326 ? -24.228 4.137 -8.931 1.0 19.27 ? 316 A 1 +ATOM 5475 O O . ASP A 1 326 ? -23.816 5.241 -9.24 1.0 20.65 ? 316 A 1 +ATOM 5476 C CB . ASP A 1 326 ? -25.371 3.597 -11.129 1.0 17.69 ? 316 A 1 +ATOM 5477 C CG . ASP A 1 326 ? -26.736 3.983 -10.663 1.0 18.65 ? 316 A 1 +ATOM 5478 O OD1 . ASP A 1 326 ? -26.908 4.285 -9.447 1.0 21.16 ? 316 A 1 +ATOM 5479 O OD2 . ASP A 1 326 ? -27.682 4.022 -11.449 1.0 19.7 ? 316 A 1 +ATOM 5480 H H . ASP A 1 326 ? -25.692 1.615 -9.707 1.0 23.91 ? 316 A 1 +ATOM 5481 H HA . ASP A 1 326 ? -23.583 2.973 -10.423 1.0 21.96 ? 316 A 1 +ATOM 5482 H HB2 . ASP A 1 326 ? -24.966 4.379 -11.535 1.0 21.23 ? 316 A 1 +ATOM 5483 H HB3 . ASP A 1 326 ? -25.473 2.895 -11.791 1.0 21.23 ? 316 A 1 +ATOM 5484 N N . THR A 1 327 ? -24.415 3.789 -7.668 1.0 20.47 ? 317 A 1 +ATOM 5485 C CA . THR A 1 327 ? -24.059 4.685 -6.564 1.0 21.89 ? 317 A 1 +ATOM 5486 C C . THR A 1 327 ? -22.764 4.293 -5.893 1.0 24.01 ? 317 A 1 +ATOM 5487 O O . THR A 1 327 ? -22.422 4.87 -4.856 1.0 23.85 ? 317 A 1 +ATOM 5488 C CB . THR A 1 327 ? -25.153 4.702 -5.506 1.0 24.67 ? 317 A 1 +ATOM 5489 O OG1 . THR A 1 327 ? -25.482 3.363 -5.172 1.0 27.53 ? 317 A 1 +ATOM 5490 C CG2 . THR A 1 327 ? -26.396 5.4 -6.009 1.0 25.25 ? 317 A 1 +ATOM 5491 H H . THR A 1 327 ? -24.749 3.036 -7.417 1.0 24.57 ? 317 A 1 +ATOM 5492 H HA . THR A 1 327 ? -23.971 5.576 -6.935 1.0 26.27 ? 317 A 1 +ATOM 5493 H HB . THR A 1 327 ? -24.837 5.183 -4.726 1.0 29.61 ? 317 A 1 +ATOM 5494 H HG1 . THR A 1 327 ? -26.102 3.352 -4.605 1.0 33.03 ? 317 A 1 +ATOM 5495 H HG21 . THR A 1 327 ? -27.08 5.395 -5.322 1.0 30.3 ? 317 A 1 +ATOM 5496 H HG22 . THR A 1 327 ? -26.19 6.319 -6.241 1.0 30.3 ? 317 A 1 +ATOM 5497 H HG23 . THR A 1 327 ? -26.737 4.945 -6.796 1.0 30.3 ? 317 A 1 +ATOM 5498 N N . ALA A 1 328 ? -22.009 3.37 -6.455 1.0 18.76 ? 318 A 1 +ATOM 5499 C CA . ALA A 1 328 ? -20.843 2.86 -5.758 1.0 19.62 ? 318 A 1 +ATOM 5500 C C . ALA A 1 328 ? -19.644 3.769 -5.899 1.0 18.27 ? 318 A 1 +ATOM 5501 O O . ALA A 1 328 ? -18.714 3.686 -5.088 1.0 19.65 ? 318 A 1 +ATOM 5502 C CB . ALA A 1 328 ? -20.469 1.477 -6.311 1.0 26.21 ? 318 A 1 +ATOM 5503 H H . ALA A 1 328 ? -22.148 3.024 -7.23 1.0 22.51 ? 318 A 1 +ATOM 5504 H HA . ALA A 1 328 ? -21.059 2.774 -4.817 1.0 23.55 ? 318 A 1 +ATOM 5505 H HB1 . ALA A 1 328 ? -19.69 1.147 -5.836 1.0 31.46 ? 318 A 1 +ATOM 5506 H HB2 . ALA A 1 328 ? -21.216 0.872 -6.182 1.0 31.46 ? 318 A 1 +ATOM 5507 H HB3 . ALA A 1 328 ? -20.269 1.558 -7.257 1.0 31.46 ? 318 A 1 +ATOM 5508 N N . SER A 1 329 ? -19.561 4.622 -6.929 1.0 18.3 ? 319 A 1 +ATOM 5509 C CA . SER A 1 329 ? -18.293 5.27 -7.242 1.0 17.23 ? 319 A 1 +ATOM 5510 C C . SER A 1 329 ? -17.842 6.284 -6.188 1.0 17.17 ? 319 A 1 +ATOM 5511 O O . SER A 1 329 ? -16.639 6.365 -5.917 1.0 17.99 ? 319 A 1 +ATOM 5512 C CB . SER A 1 329 ? -18.312 5.978 -8.581 1.0 16.69 ? 319 A 1 +ATOM 5513 O OG . SER A 1 329 ? -19.32 6.988 -8.53 1.0 19.34 ? 319 A 1 +ATOM 5514 H H . SER A 1 329 ? -20.214 4.836 -7.447 1.0 21.96 ? 319 A 1 +ATOM 5515 H HA . SER A 1 329 ? -17.657 4.539 -7.279 1.0 20.67 ? 319 A 1 +ATOM 5516 H HB2 . SER A 1 329 ? -17.448 6.387 -8.747 1.0 20.03 ? 319 A 1 +ATOM 5517 H HB3 . SER A 1 329 ? -18.519 5.344 -9.284 1.0 20.03 ? 319 A 1 +ATOM 5518 H HG . SER A 1 329 ? -19.361 7.39 -9.267 1.0 23.2 ? 319 A 1 +ATOM 5519 N N . ILE A 1 330 ? -18.751 7.058 -5.601 1.0 17.95 ? 320 A 1 +ATOM 5520 C CA . ILE A 1 330 ? -18.299 8.056 -4.626 1.0 16.79 ? 320 A 1 +ATOM 5521 C C . ILE A 1 330 ? -17.751 7.36 -3.392 1.0 18.68 ? 320 A 1 +ATOM 5522 O O . ILE A 1 330 ? -16.625 7.67 -2.977 1.0 17.76 ? 320 A 1 +ATOM 5523 C CB . ILE A 1 330 ? -19.393 9.109 -4.365 1.0 17.5 ? 320 A 1 +ATOM 5524 C CG1 . ILE A 1 330 ? -19.606 9.965 -5.622 1.0 17.26 ? 320 A 1 +ATOM 5525 C CG2 . ILE A 1 330 ? -18.974 10.004 -3.216 1.0 19.47 ? 320 A 1 +ATOM 5526 C CD1 . ILE A 1 330 ? -20.823 10.857 -5.525 1.0 18.92 ? 320 A 1 +ATOM 5527 H H . ILE A 1 330 ? -19.599 7.028 -5.743 1.0 21.54 ? 320 A 1 +ATOM 5528 H HA . ILE A 1 330 ? -17.541 8.549 -4.978 1.0 20.15 ? 320 A 1 +ATOM 5529 H HB . ILE A 1 330 ? -20.219 8.653 -4.142 1.0 21.0 ? 320 A 1 +ATOM 5530 H HG12 . ILE A 1 330 ? -18.829 10.531 -5.754 1.0 20.71 ? 320 A 1 +ATOM 5531 H HG13 . ILE A 1 330 ? -19.723 9.38 -6.386 1.0 20.71 ? 320 A 1 +ATOM 5532 H HG21 . ILE A 1 330 ? -19.58 10.759 -3.166 1.0 23.37 ? 320 A 1 +ATOM 5533 H HG22 . ILE A 1 330 ? -19.011 9.496 -2.39 1.0 23.37 ? 320 A 1 +ATOM 5534 H HG23 . ILE A 1 330 ? -18.069 10.316 -3.372 1.0 23.37 ? 320 A 1 +ATOM 5535 H HD11 . ILE A 1 330 ? -21.021 11.218 -6.404 1.0 22.71 ? 320 A 1 +ATOM 5536 H HD12 . ILE A 1 330 ? -21.575 10.333 -5.206 1.0 22.71 ? 320 A 1 +ATOM 5537 H HD13 . ILE A 1 330 ? -20.637 11.58 -4.905 1.0 22.71 ? 320 A 1 +ATOM 5538 N N . PRO A 1 331 ? -18.468 6.397 -2.778 1.0 18.49 ? 321 A 1 +ATOM 5539 C CA . PRO A 1 331 ? -17.845 5.67 -1.65 1.0 18.55 ? 321 A 1 +ATOM 5540 C C . PRO A 1 331 ? -16.558 4.984 -2.046 1.0 20.0 ? 321 A 1 +ATOM 5541 O O . PRO A 1 331 ? -15.611 4.912 -1.243 1.0 21.27 ? 321 A 1 +ATOM 5542 C CB . PRO A 1 331 ? -18.927 4.668 -1.24 1.0 23.13 ? 321 A 1 +ATOM 5543 C CG . PRO A 1 331 ? -20.183 5.237 -1.751 1.0 24.74 ? 321 A 1 +ATOM 5544 C CD . PRO A 1 331 ? -19.89 6.048 -2.958 1.0 18.85 ? 321 A 1 +ATOM 5545 H HA . PRO A 1 331 ? -17.679 6.27 -0.906 1.0 22.26 ? 321 A 1 +ATOM 5546 H HB2 . PRO A 1 331 ? -18.747 3.805 -1.643 1.0 27.76 ? 321 A 1 +ATOM 5547 H HB3 . PRO A 1 331 ? -18.951 4.585 -0.274 1.0 27.76 ? 321 A 1 +ATOM 5548 H HG2 . PRO A 1 331 ? -20.787 4.512 -1.977 1.0 29.69 ? 321 A 1 +ATOM 5549 H HG3 . PRO A 1 331 ? -20.578 5.796 -1.063 1.0 29.69 ? 321 A 1 +ATOM 5550 H HD2 . PRO A 1 331 ? -20.02 5.527 -3.766 1.0 22.62 ? 321 A 1 +ATOM 5551 H HD3 . PRO A 1 331 ? -20.443 6.845 -2.984 1.0 22.62 ? 321 A 1 +ATOM 5552 N N A SER A 1 332 ? -16.507 4.448 -3.256 0.56 19.79 ? 322 A 1 +ATOM 5553 N N B SER A 1 332 ? -16.441 4.496 -3.281 0.44 20.37 ? 322 A 1 +ATOM 5554 C CA A SER A 1 332 ? -15.303 3.768 -3.692 0.56 20.98 ? 322 A 1 +ATOM 5555 C CA B SER A 1 332 ? -15.237 3.759 -3.674 0.44 19.27 ? 322 A 1 +ATOM 5556 C C A SER A 1 332 ? -14.123 4.718 -3.647 0.56 23.17 ? 322 A 1 +ATOM 5557 C C B SER A 1 332 ? -14.028 4.68 -3.83 0.44 16.26 ? 322 A 1 +ATOM 5558 O O A SER A 1 332 ? -13.097 4.395 -3.022 0.56 20.9 ? 322 A 1 +ATOM 5559 O O B SER A 1 332 ? -12.874 4.295 -3.549 0.44 15.88 ? 322 A 1 +ATOM 5560 C CB A SER A 1 332 ? -15.463 3.204 -5.099 0.56 24.07 ? 322 A 1 +ATOM 5561 C CB B SER A 1 332 ? -15.483 3.03 -4.989 0.44 21.2 ? 322 A 1 +ATOM 5562 O OG A SER A 1 332 ? -14.279 2.531 -5.479 0.56 23.29 ? 322 A 1 +ATOM 5563 O OG B SER A 1 332 ? -16.397 1.978 -4.789 0.44 28.67 ? 322 A 1 +ATOM 5564 H H A SER A 1 332 ? -17.146 4.463 -3.832 0.56 23.75 ? 322 A 1 +ATOM 5565 H H B SER A 1 332 ? -17.033 4.574 -3.9 0.44 24.44 ? 322 A 1 +ATOM 5566 H HA A SER A 1 332 ? -15.144 3.02 -3.096 0.56 25.17 ? 322 A 1 +ATOM 5567 H HA B SER A 1 332 ? -15.041 3.113 -2.977 0.44 23.12 ? 322 A 1 +ATOM 5568 H HB2 A SER A 1 332 ? -16.205 2.58 -5.112 0.56 28.88 ? 322 A 1 +ATOM 5569 H HB2 B SER A 1 332 ? -15.85 3.653 -5.636 0.44 25.44 ? 322 A 1 +ATOM 5570 H HB3 A SER A 1 332 ? -15.631 3.932 -5.719 0.56 28.88 ? 322 A 1 +ATOM 5571 H HB3 B SER A 1 332 ? -14.645 2.667 -5.315 0.44 25.44 ? 322 A 1 +ATOM 5572 H HG A SER A 1 332 ? -14.361 2.221 -6.255 0.56 27.94 ? 322 A 1 +ATOM 5573 H HG B SER A 1 332 ? -17.134 2.283 -4.525 0.44 34.4 ? 322 A 1 +ATOM 5574 N N . VAL A 1 333 ? -14.249 5.892 -4.303 1.0 18.49 ? 323 A 1 +ATOM 5575 C CA . VAL A 1 333 ? -13.124 6.833 -4.349 1.0 18.01 ? 323 A 1 +ATOM 5576 C C . VAL A 1 333 ? -12.791 7.329 -2.952 1.0 18.58 ? 323 A 1 +ATOM 5577 O O . VAL A 1 333 ? -11.62 7.585 -2.675 1.0 18.77 ? 323 A 1 +ATOM 5578 C CB . VAL A 1 333 ? -13.245 7.971 -5.382 1.0 17.37 ? 323 A 1 +ATOM 5579 C CG1 . VAL A 1 333 ? -13.41 7.427 -6.784 1.0 19.45 ? 323 A 1 +ATOM 5580 C CG2 . VAL A 1 333 ? -14.297 8.915 -5.053 1.0 19.52 ? 323 A 1 +ATOM 5581 H H A VAL A 1 333 ? -14.957 6.154 -4.715 0.56 22.18 ? 323 A 1 +ATOM 5582 H H B VAL A 1 333 ? -15.002 6.19 -4.592 0.44 22.18 ? 323 A 1 +ATOM 5583 H HA . VAL A 1 333 ? -12.375 6.32 -4.692 1.0 21.61 ? 323 A 1 +ATOM 5584 H HB . VAL A 1 333 ? -12.413 8.469 -5.354 1.0 20.84 ? 323 A 1 +ATOM 5585 H HG11 . VAL A 1 333 ? -13.461 8.169 -7.407 1.0 23.34 ? 323 A 1 +ATOM 5586 H HG12 . VAL A 1 333 ? -12.647 6.868 -6.998 1.0 23.34 ? 323 A 1 +ATOM 5587 H HG13 . VAL A 1 333 ? -14.226 6.904 -6.826 1.0 23.34 ? 323 A 1 +ATOM 5588 H HG21 . VAL A 1 333 ? -14.403 9.539 -5.788 1.0 23.42 ? 323 A 1 +ATOM 5589 H HG22 . VAL A 1 333 ? -15.124 8.429 -4.909 1.0 23.42 ? 323 A 1 +ATOM 5590 H HG23 . VAL A 1 333 ? -14.05 9.394 -4.246 1.0 23.42 ? 323 A 1 +ATOM 5591 N N . MET A 1 334 ? -13.763 7.47 -2.07 1.0 18.53 ? 324 A 1 +ATOM 5592 C CA A MET A 1 334 ? -13.414 7.85 -0.705 0.69 21.48 ? 324 A 1 +ATOM 5593 C CA B MET A 1 334 ? -13.446 7.833 -0.687 0.31 14.97 ? 324 A 1 +ATOM 5594 C C . MET A 1 334 ? -12.542 6.794 -0.038 1.0 20.99 ? 324 A 1 +ATOM 5595 O O . MET A 1 334 ? -11.567 7.134 0.663 1.0 20.29 ? 324 A 1 +ATOM 5596 C CB A MET A 1 334 ? -14.684 8.131 0.089 0.69 25.64 ? 324 A 1 +ATOM 5597 C CB B MET A 1 334 ? -14.738 7.951 0.121 0.31 15.87 ? 324 A 1 +ATOM 5598 C CG A MET A 1 334 ? -15.387 9.377 -0.412 0.69 20.52 ? 324 A 1 +ATOM 5599 C CG B MET A 1 334 ? -15.628 9.09 -0.286 0.31 23.18 ? 324 A 1 +ATOM 5600 S SD A MET A 1 334 ? -16.93 9.689 0.457 0.69 25.19 ? 324 A 1 +ATOM 5601 S SD B MET A 1 334 ? -15.039 10.637 0.414 0.31 29.02 ? 324 A 1 +ATOM 5602 C CE A MET A 1 334 ? -17.375 11.339 -0.101 0.69 27.29 ? 324 A 1 +ATOM 5603 C CE B MET A 1 334 ? -16.506 11.662 0.169 0.31 28.71 ? 324 A 1 +ATOM 5604 H H A MET A 1 334 ? -14.602 7.358 -2.224 0.69 22.23 ? 324 A 1 +ATOM 5605 H H B MET A 1 334 ? -14.601 7.366 -2.234 0.31 22.23 ? 324 A 1 +ATOM 5606 H HA A MET A 1 334 ? -12.903 8.675 -0.724 0.69 25.78 ? 324 A 1 +ATOM 5607 H HA B MET A 1 334 ? -12.996 8.693 -0.693 0.31 17.97 ? 324 A 1 +ATOM 5608 H HB2 A MET A 1 334 ? -15.291 7.38 -0.001 0.69 30.77 ? 324 A 1 +ATOM 5609 H HB2 B MET A 1 334 ? -15.244 7.131 0.014 0.31 19.05 ? 324 A 1 +ATOM 5610 H HB3 A MET A 1 334 ? -14.456 8.262 1.023 0.69 30.77 ? 324 A 1 +ATOM 5611 H HB3 B MET A 1 334 ? -14.507 8.08 1.054 0.31 19.05 ? 324 A 1 +ATOM 5612 H HG2 A MET A 1 334 ? -14.807 10.143 -0.28 0.69 24.62 ? 324 A 1 +ATOM 5613 H HG2 B MET A 1 334 ? -15.631 9.17 -1.253 0.31 27.81 ? 324 A 1 +ATOM 5614 H HG3 A MET A 1 334 ? -15.587 9.271 -1.355 0.69 24.62 ? 324 A 1 +ATOM 5615 H HG3 B MET A 1 334 ? -16.528 8.929 0.036 0.31 27.81 ? 324 A 1 +ATOM 5616 H HE1 A MET A 1 334 ? -18.197 11.61 0.339 0.69 32.75 ? 324 A 1 +ATOM 5617 H HE1 B MET A 1 334 ? -16.331 12.551 0.514 0.31 34.45 ? 324 A 1 +ATOM 5618 H HE2 A MET A 1 334 ? -16.66 11.953 0.128 0.69 32.75 ? 324 A 1 +ATOM 5619 H HE2 B MET A 1 334 ? -16.705 11.708 -0.779 0.31 34.45 ? 324 A 1 +ATOM 5620 H HE3 A MET A 1 334 ? -17.504 11.324 -1.062 0.69 32.75 ? 324 A 1 +ATOM 5621 H HE3 B MET A 1 334 ? -17.252 11.264 0.645 0.31 34.45 ? 324 A 1 +ATOM 5622 N N . LYS A 1 335 ? -12.847 5.511 -0.254 1.0 20.22 ? 325 A 1 +ATOM 5623 C CA . LYS A 1 335 ? -12.03 4.446 0.314 1.0 22.9 ? 325 A 1 +ATOM 5624 C C . LYS A 1 335 ? -10.635 4.482 -0.285 1.0 22.31 ? 325 A 1 +ATOM 5625 O O . LYS A 1 335 ? -9.636 4.319 0.438 1.0 22.09 ? 325 A 1 +ATOM 5626 C CB . LYS A 1 335 ? -12.7 3.096 0.034 1.0 25.33 ? 325 A 1 +ATOM 5627 C CG . LYS A 1 335 ? -11.947 1.889 0.528 1.0 32.77 ? 325 A 1 +ATOM 5628 H H . LYS A 1 335 ? -13.515 5.236 -0.721 1.0 24.27 ? 325 A 1 +ATOM 5629 H HA . LYS A 1 335 ? -11.956 4.558 1.275 1.0 27.48 ? 325 A 1 +ATOM 5630 H HB2 . LYS A 1 335 ? -13.57 3.091 0.464 1.0 30.39 ? 325 A 1 +ATOM 5631 H HB3 . LYS A 1 335 ? -12.804 3.0 -0.926 1.0 30.39 ? 325 A 1 +ATOM 5632 N N . MET A 1 336 ? -10.546 4.692 -1.601 1.0 20.03 ? 326 A 1 +ATOM 5633 C CA A MET A 1 336 ? -9.263 4.79 -2.283 0.62 20.74 ? 326 A 1 +ATOM 5634 C CA B MET A 1 336 ? -9.25 4.753 -2.241 0.38 20.43 ? 326 A 1 +ATOM 5635 C C . MET A 1 336 ? -8.407 5.883 -1.669 1.0 20.03 ? 326 A 1 +ATOM 5636 O O . MET A 1 336 ? -7.208 5.697 -1.41 1.0 19.47 ? 326 A 1 +ATOM 5637 C CB A MET A 1 336 ? -9.502 5.092 -3.768 0.62 25.45 ? 326 A 1 +ATOM 5638 C CB B MET A 1 336 ? -9.451 4.905 -3.737 0.38 18.49 ? 326 A 1 +ATOM 5639 C CG A MET A 1 336 ? -8.246 5.553 -4.552 0.62 19.96 ? 326 A 1 +ATOM 5640 C CG B MET A 1 336 ? -8.176 4.822 -4.524 0.38 20.42 ? 326 A 1 +ATOM 5641 S SD A MET A 1 336 ? -8.43 6.191 -6.23 0.62 21.73 ? 326 A 1 +ATOM 5642 S SD B MET A 1 336 ? -7.444 6.436 -4.523 0.38 23.72 ? 326 A 1 +ATOM 5643 C CE A MET A 1 336 ? -9.641 5.062 -6.936 0.62 20.91 ? 326 A 1 +ATOM 5644 C CE B MET A 1 336 ? -8.37 7.271 -5.805 0.38 37.75 ? 326 A 1 +ATOM 5645 H H A MET A 1 336 ? -11.223 4.782 -2.124 0.62 24.03 ? 326 A 1 +ATOM 5646 H H B MET A 1 336 ? -11.215 4.8 -2.13 0.38 24.03 ? 326 A 1 +ATOM 5647 H HA A MET A 1 336 ? -8.801 3.941 -2.206 0.62 24.89 ? 326 A 1 +ATOM 5648 H HA B MET A 1 336 ? -8.768 3.925 -2.089 0.38 24.51 ? 326 A 1 +ATOM 5649 H HB2 A MET A 1 336 ? -9.833 4.287 -4.196 0.62 30.53 ? 326 A 1 +ATOM 5650 H HB2 B MET A 1 336 ? -10.038 4.198 -4.047 0.38 22.19 ? 326 A 1 +ATOM 5651 H HB3 A MET A 1 336 ? -10.163 5.8 -3.835 0.62 30.53 ? 326 A 1 +ATOM 5652 H HB3 B MET A 1 336 ? -9.852 5.77 -3.912 0.38 22.19 ? 326 A 1 +ATOM 5653 H HG2 A MET A 1 336 ? -7.827 6.261 -4.037 0.62 23.95 ? 326 A 1 +ATOM 5654 H HG2 B MET A 1 336 ? -7.566 4.191 -4.11 0.38 24.5 ? 326 A 1 +ATOM 5655 H HG3 A MET A 1 336 ? -7.649 4.791 -4.615 0.62 23.95 ? 326 A 1 +ATOM 5656 H HG3 B MET A 1 336 ? -8.362 4.553 -5.437 0.38 24.5 ? 326 A 1 +ATOM 5657 H HE1 A MET A 1 336 ? -9.786 5.295 -7.866 0.62 25.09 ? 326 A 1 +ATOM 5658 H HE1 B MET A 1 336 ? -8.287 8.23 -5.682 0.38 45.3 ? 326 A 1 +ATOM 5659 H HE2 A MET A 1 336 ? -9.303 4.155 -6.872 0.62 25.09 ? 326 A 1 +ATOM 5660 H HE2 B MET A 1 336 ? -8.012 7.017 -6.67 0.38 45.3 ? 326 A 1 +ATOM 5661 H HE3 A MET A 1 336 ? -10.472 5.14 -6.442 0.62 25.09 ? 326 A 1 +ATOM 5662 H HE3 B MET A 1 336 ? -9.302 7.009 -5.743 0.38 45.3 ? 326 A 1 +ATOM 5663 N N . ILE A 1 337 ? -9.008 7.045 -1.456 1.0 19.3 ? 327 A 1 +ATOM 5664 C CA . ILE A 1 337 ? -8.285 8.185 -0.919 1.0 18.29 ? 327 A 1 +ATOM 5665 C C . ILE A 1 337 ? -7.766 7.862 0.474 1.0 19.67 ? 327 A 1 +ATOM 5666 O O . ILE A 1 337 ? -6.63 8.168 0.795 1.0 18.65 ? 327 A 1 +ATOM 5667 C CB . ILE A 1 337 ? -9.208 9.411 -0.94 1.0 17.99 ? 327 A 1 +ATOM 5668 C CG1 . ILE A 1 337 ? -9.442 9.865 -2.396 1.0 17.99 ? 327 A 1 +ATOM 5669 C CG2 . ILE A 1 337 ? -8.632 10.553 -0.081 1.0 19.21 ? 327 A 1 +ATOM 5670 C CD1 . ILE A 1 337 ? -10.619 10.882 -2.515 1.0 20.05 ? 327 A 1 +ATOM 5671 H H . ILE A 1 337 ? -9.839 7.201 -1.615 1.0 23.17 ? 327 A 1 +ATOM 5672 H HA . ILE A 1 337 ? -7.511 8.381 -1.47 1.0 21.95 ? 327 A 1 +ATOM 5673 H HB . ILE A 1 337 ? -10.063 9.163 -0.555 1.0 21.58 ? 327 A 1 +ATOM 5674 H HG12 . ILE A 1 337 ? -8.638 10.293 -2.729 1.0 21.59 ? 327 A 1 +ATOM 5675 H HG13 . ILE A 1 337 ? -9.656 9.091 -2.94 1.0 21.59 ? 327 A 1 +ATOM 5676 H HG21 . ILE A 1 337 ? -9.14 11.362 -0.248 1.0 23.05 ? 327 A 1 +ATOM 5677 H HG22 . ILE A 1 337 ? -8.699 10.308 0.856 1.0 23.05 ? 327 A 1 +ATOM 5678 H HG23 . ILE A 1 337 ? -7.702 10.691 -0.321 1.0 23.05 ? 327 A 1 +ATOM 5679 H HD11 . ILE A 1 337 ? -10.795 11.052 -3.453 1.0 24.05 ? 327 A 1 +ATOM 5680 H HD12 . ILE A 1 337 ? -11.407 10.504 -2.094 1.0 24.05 ? 327 A 1 +ATOM 5681 H HD13 . ILE A 1 337 ? -10.369 11.707 -2.07 1.0 24.05 ? 327 A 1 +ATOM 5682 N N . GLU A 1 338 ? -8.599 7.222 1.29 1.0 18.09 ? 328 A 1 +ATOM 5683 C CA A GLU A 1 338 ? -8.161 6.822 2.623 0.49 18.56 ? 328 A 1 +ATOM 5684 C CA B GLU A 1 338 ? -8.173 6.811 2.624 0.51 21.87 ? 328 A 1 +ATOM 5685 C C . GLU A 1 338 ? -7.008 5.837 2.553 1.0 20.24 ? 328 A 1 +ATOM 5686 O O . GLU A 1 338 ? -6.016 5.979 3.281 1.0 22.46 ? 328 A 1 +ATOM 5687 C CB A GLU A 1 338 ? -9.353 6.201 3.355 0.49 22.8 ? 328 A 1 +ATOM 5688 C CB B GLU A 1 338 ? -9.38 6.172 3.317 0.51 19.89 ? 328 A 1 +ATOM 5689 C CG A GLU A 1 338 ? -9.003 5.668 4.756 0.49 25.23 ? 328 A 1 +ATOM 5690 C CG B GLU A 1 338 ? -9.169 5.913 4.809 0.51 49.54 ? 328 A 1 +ATOM 5691 C CD A GLU A 1 338 ? -8.568 6.758 5.711 0.49 58.17 ? 328 A 1 +ATOM 5692 C CD B GLU A 1 338 ? -10.416 5.351 5.486 0.51 43.61 ? 328 A 1 +ATOM 5693 O OE1 A GLU A 1 338 ? -9.03 7.909 5.557 0.49 48.71 ? 328 A 1 +ATOM 5694 O OE1 B GLU A 1 338 ? -10.936 4.302 5.047 0.51 38.63 ? 328 A 1 +ATOM 5695 O OE2 A GLU A 1 338 ? -7.769 6.464 6.628 0.49 62.69 ? 328 A 1 +ATOM 5696 O OE2 B GLU A 1 338 ? -10.891 5.979 6.445 0.51 47.8 ? 328 A 1 +ATOM 5697 H H A GLU A 1 338 ? -9.411 7.011 1.101 0.49 21.7 ? 328 A 1 +ATOM 5698 H H B GLU A 1 338 ? -9.411 7.015 1.098 0.51 21.7 ? 328 A 1 +ATOM 5699 H HA A GLU A 1 338 ? -7.85 7.598 3.114 0.49 22.27 ? 328 A 1 +ATOM 5700 H HA B GLU A 1 338 ? -7.872 7.578 3.136 0.51 26.24 ? 328 A 1 +ATOM 5701 H HB2 A GLU A 1 338 ? -10.042 6.876 3.458 0.49 27.36 ? 328 A 1 +ATOM 5702 H HB2 B GLU A 1 338 ? -10.142 6.764 3.224 0.51 23.87 ? 328 A 1 +ATOM 5703 H HB3 A GLU A 1 338 ? -9.69 5.459 2.83 0.49 27.36 ? 328 A 1 +ATOM 5704 H HB3 B GLU A 1 338 ? -9.567 5.32 2.892 0.51 23.87 ? 328 A 1 +ATOM 5705 H HG2 A GLU A 1 338 ? -9.784 5.234 5.132 0.49 30.27 ? 328 A 1 +ATOM 5706 H HG2 B GLU A 1 338 ? -8.45 5.271 4.922 0.51 59.45 ? 328 A 1 +ATOM 5707 H HG3 A GLU A 1 338 ? -8.275 5.031 4.678 0.49 30.27 ? 328 A 1 +ATOM 5708 H HG3 B GLU A 1 338 ? -8.939 6.748 5.247 0.51 59.45 ? 328 A 1 +ATOM 5709 N N . LEU A 1 339 ? -7.1 4.842 1.668 1.0 22.68 ? 329 A 1 +ATOM 5710 C CA . LEU A 1 339 ? -6.038 3.845 1.535 1.0 24.7 ? 329 A 1 +ATOM 5711 C C . LEU A 1 339 ? -4.731 4.46 1.075 1.0 24.0 ? 329 A 1 +ATOM 5712 O O . LEU A 1 339 ? -3.659 3.939 1.408 1.0 25.64 ? 329 A 1 +ATOM 5713 C CB . LEU A 1 339 ? -6.485 2.778 0.533 1.0 32.43 ? 329 A 1 +ATOM 5714 C CG . LEU A 1 339 ? -7.118 1.491 1.054 1.0 44.48 ? 329 A 1 +ATOM 5715 C CD1 . LEU A 1 339 ? -8.08 1.722 2.179 1.0 74.73 ? 329 A 1 +ATOM 5716 C CD2 . LEU A 1 339 ? -7.807 0.758 -0.095 1.0 66.42 ? 329 A 1 +ATOM 5717 H H . LEU A 1 339 ? -7.765 4.721 1.135 1.0 27.22 ? 329 A 1 +ATOM 5718 H HA . LEU A 1 339 ? -5.882 3.434 2.399 1.0 29.64 ? 329 A 1 +ATOM 5719 H HB2 . LEU A 1 339 ? -7.141 3.187 -0.054 1.0 38.92 ? 329 A 1 +ATOM 5720 H HB3 . LEU A 1 339 ? -5.704 2.512 0.024 1.0 38.92 ? 329 A 1 +ATOM 5721 H HG . LEU A 1 339 ? -6.409 0.937 1.418 1.0 53.37 ? 329 A 1 +ATOM 5722 H HD11 . LEU A 1 339 ? -8.542 0.893 2.375 1.0 89.68 ? 329 A 1 +ATOM 5723 H HD12 . LEU A 1 339 ? -7.586 2.018 2.96 1.0 89.68 ? 329 A 1 +ATOM 5724 H HD13 . LEU A 1 339 ? -8.718 2.403 1.913 1.0 89.68 ? 329 A 1 +ATOM 5725 H HD21 . LEU A 1 339 ? -8.174 -0.076 0.237 1.0 79.7 ? 329 A 1 +ATOM 5726 H HD22 . LEU A 1 339 ? -8.518 1.317 -0.444 1.0 79.7 ? 329 A 1 +ATOM 5727 H HD23 . LEU A 1 339 ? -7.155 0.579 -0.791 1.0 79.7 ? 329 A 1 +ATOM 5728 N N . LEU A 1 340 ? -4.766 5.52 0.275 1.0 20.26 ? 330 A 1 +ATOM 5729 C CA . LEU A 1 340 ? -3.58 6.235 -0.118 1.0 20.09 ? 330 A 1 +ATOM 5730 C C . LEU A 1 340 ? -2.964 7.045 0.997 1.0 23.93 ? 330 A 1 +ATOM 5731 O O . LEU A 1 340 ? -1.873 7.597 0.806 1.0 25.33 ? 330 A 1 +ATOM 5732 C CB . LEU A 1 340 ? -3.881 7.178 -1.287 1.0 21.81 ? 330 A 1 +ATOM 5733 C CG . LEU A 1 340 ? -4.106 6.543 -2.65 1.0 23.45 ? 330 A 1 +ATOM 5734 C CD1 . LEU A 1 340 ? -4.53 7.631 -3.6 1.0 26.12 ? 330 A 1 +ATOM 5735 C CD2 . LEU A 1 340 ? -2.864 5.84 -3.148 1.0 33.15 ? 330 A 1 +ATOM 5736 H H . LEU A 1 340 ? -5.488 5.847 -0.058 1.0 24.31 ? 330 A 1 +ATOM 5737 H HA . LEU A 1 340 ? -2.934 5.573 -0.409 1.0 24.11 ? 330 A 1 +ATOM 5738 H HB2 . LEU A 1 340 ? -4.686 7.675 -1.07 1.0 26.18 ? 330 A 1 +ATOM 5739 H HB3 . LEU A 1 340 ? -3.131 7.787 -1.379 1.0 26.18 ? 330 A 1 +ATOM 5740 H HG . LEU A 1 340 ? -4.796 5.864 -2.594 1.0 28.14 ? 330 A 1 +ATOM 5741 H HD11 . LEU A 1 340 ? -4.661 7.247 -4.481 1.0 31.35 ? 330 A 1 +ATOM 5742 H HD12 . LEU A 1 340 ? -5.359 8.023 -3.283 1.0 31.35 ? 330 A 1 +ATOM 5743 H HD13 . LEU A 1 340 ? -3.836 8.308 -3.634 1.0 31.35 ? 330 A 1 +ATOM 5744 H HD21 . LEU A 1 340 ? -3.001 5.571 -4.07 1.0 39.78 ? 330 A 1 +ATOM 5745 H HD22 . LEU A 1 340 ? -2.111 6.449 -3.09 1.0 39.78 ? 330 A 1 +ATOM 5746 H HD23 . LEU A 1 340 ? -2.7 5.059 -2.597 1.0 39.78 ? 330 A 1 +ATOM 5747 N N . GLY A 1 341 ? -3.664 7.173 2.104 1.0 20.69 ? 331 A 1 +ATOM 5748 C CA . GLY A 1 341 ? -3.216 8.058 3.153 1.0 24.01 ? 331 A 1 +ATOM 5749 C C . GLY A 1 341 ? -3.469 9.524 2.886 1.0 24.24 ? 331 A 1 +ATOM 5750 O O . GLY A 1 341 ? -2.822 10.375 3.503 1.0 24.99 ? 331 A 1 +ATOM 5751 H H . GLY A 1 341 ? -4.4 6.761 2.271 1.0 24.83 ? 331 A 1 +ATOM 5752 H HA2 . GLY A 1 341 ? -3.673 7.822 3.976 1.0 28.81 ? 331 A 1 +ATOM 5753 H HA3 . GLY A 1 341 ? -2.262 7.938 3.276 1.0 28.81 ? 331 A 1 +ATOM 5754 N N . ARG A 1 342 ? -4.407 9.849 1.986 1.0 18.06 ? 332 A 1 +ATOM 5755 C CA . ARG A 1 342 ? -4.792 11.208 1.636 1.0 17.23 ? 332 A 1 +ATOM 5756 C C . ARG A 1 342 ? -6.087 11.56 2.356 1.0 18.87 ? 332 A 1 +ATOM 5757 O O . ARG A 1 342 ? -6.624 10.763 3.128 1.0 19.51 ? 332 A 1 +ATOM 5758 C CB . ARG A 1 342 ? -4.869 11.271 0.104 1.0 17.03 ? 332 A 1 +ATOM 5759 C CG . ARG A 1 342 ? -3.544 10.963 -0.586 1.0 17.71 ? 332 A 1 +ATOM 5760 C CD . ARG A 1 342 ? -2.668 12.154 -0.711 1.0 16.95 ? 332 A 1 +ATOM 5761 N NE . ARG A 1 342 ? -2.902 12.984 -1.895 1.0 16.64 ? 332 A 1 +ATOM 5762 C CZ . ARG A 1 342 ? -2.532 12.64 -3.12 1.0 17.28 ? 332 A 1 +ATOM 5763 N NH1 . ARG A 1 342 ? -1.889 11.534 -3.32 1.0 17.22 ? 332 A 1 +ATOM 5764 N NH2 . ARG A 1 342 ? -2.798 13.506 -4.118 1.0 17.44 ? 332 A 1 +ATOM 5765 H H . ARG A 1 342 ? -4.856 9.262 1.546 1.0 21.68 ? 332 A 1 +ATOM 5766 H HA . ARG A 1 342 ? -4.149 11.874 1.927 1.0 20.67 ? 332 A 1 +ATOM 5767 H HB2 . ARG A 1 342 ? -5.522 10.622 -0.203 1.0 20.43 ? 332 A 1 +ATOM 5768 H HB3 . ARG A 1 342 ? -5.14 12.164 -0.159 1.0 20.43 ? 332 A 1 +ATOM 5769 H HG2 . ARG A 1 342 ? -3.068 10.293 -0.071 1.0 21.25 ? 332 A 1 +ATOM 5770 H HG3 . ARG A 1 342 ? -3.723 10.628 -1.479 1.0 21.25 ? 332 A 1 +ATOM 5771 H HD2 . ARG A 1 342 ? -2.804 12.716 0.068 1.0 20.34 ? 332 A 1 +ATOM 5772 H HD3 . ARG A 1 342 ? -1.747 11.853 -0.747 1.0 20.34 ? 332 A 1 +ATOM 5773 H HE . ARG A 1 342 ? -3.302 13.738 -1.788 1.0 19.97 ? 332 A 1 +ATOM 5774 H HH11 . ARG A 1 342 ? -1.7 11.02 -2.656 1.0 20.67 ? 332 A 1 +ATOM 5775 H HH12 . ARG A 1 342 ? -1.65 11.312 -4.116 1.0 20.67 ? 332 A 1 +ATOM 5776 H HH21 . ARG A 1 342 ? -3.193 14.25 -3.947 1.0 20.93 ? 332 A 1 +ATOM 5777 H HH22 . ARG A 1 342 ? -2.572 13.314 -4.925 1.0 20.93 ? 332 A 1 +ATOM 5778 N N . LYS A 1 343 ? -6.618 12.73 2.101 1.0 18.8 ? 333 A 1 +ATOM 5779 C CA . LYS A 1 343 ? -7.861 13.173 2.701 1.0 23.52 ? 333 A 1 +ATOM 5780 C C . LYS A 1 343 ? -8.813 13.649 1.629 1.0 22.82 ? 333 A 1 +ATOM 5781 O O . LYS A 1 343 ? -8.36 14.161 0.663 1.0 19.37 ? 333 A 1 +ATOM 5782 C CB . LYS A 1 343 ? -7.581 14.386 3.606 1.0 26.21 ? 333 A 1 +ATOM 5783 C CG . LYS A 1 343 ? -6.142 14.74 3.737 1.0 64.7 ? 333 A 1 +ATOM 5784 H H . LYS A 1 343 ? -6.27 13.307 1.567 1.0 22.56 ? 333 A 1 +ATOM 5785 H HA . LYS A 1 343 ? -8.266 12.444 3.196 1.0 28.23 ? 333 A 1 +ATOM 5786 H HB2 . LYS A 1 343 ? -8.04 15.158 3.239 1.0 31.45 ? 333 A 1 +ATOM 5787 H HB3 . LYS A 1 343 ? -7.917 14.193 4.495 1.0 31.45 ? 333 A 1 +ATOM 5788 N N . PRO A 1 344 ? -10.135 13.519 1.759 1.0 28.23 ? 334 A 1 +ATOM 5789 C CA . PRO A 1 344 ? -11.027 14.184 0.805 1.0 24.36 ? 334 A 1 +ATOM 5790 C C . PRO A 1 344 ? -11.001 15.696 1.042 1.0 26.79 ? 334 A 1 +ATOM 5791 O O . PRO A 1 344 ? -10.615 16.187 2.095 1.0 24.35 ? 334 A 1 +ATOM 5792 C CB B PRO A 1 344 ? -12.4 13.599 1.168 1.0 42.97 ? 334 A 1 +ATOM 5793 C CG . PRO A 1 344 ? -12.278 13.385 2.68 1.0 35.51 ? 334 A 1 +ATOM 5794 C CD . PRO A 1 344 ? -10.863 12.861 2.855 1.0 34.1 ? 334 A 1 +ATOM 5795 H HA . PRO A 1 344 ? -10.81 13.975 -0.117 1.0 29.23 ? 334 A 1 +ATOM 5796 H HB2 B PRO A 1 344 ? -13.106 14.229 0.954 1.0 51.57 ? 334 A 1 +ATOM 5797 H HB3 B PRO A 1 344 ? -12.548 12.762 0.701 1.0 51.57 ? 334 A 1 +ATOM 5798 H HG2 B PRO A 1 344 ? -12.403 14.224 3.15 1.0 42.61 ? 334 A 1 +ATOM 5799 H HG3 B PRO A 1 344 ? -12.933 12.735 2.982 1.0 42.61 ? 334 A 1 +ATOM 5800 H HD2 . PRO A 1 344 ? -10.501 13.119 3.717 1.0 40.92 ? 334 A 1 +ATOM 5801 H HD3 . PRO A 1 344 ? -10.835 11.896 2.759 1.0 40.92 ? 334 A 1 +ATOM 5802 N N . GLY A 1 345 ? -11.355 16.429 -0.002 1.0 25.83 ? 335 A 1 +ATOM 5803 C CA . GLY A 1 345 ? -11.361 17.874 0.091 1.0 22.33 ? 335 A 1 +ATOM 5804 C C . GLY A 1 345 ? -12.356 18.368 1.123 1.0 23.94 ? 335 A 1 +ATOM 5805 O O . GLY A 1 345 ? -13.428 17.792 1.302 1.0 30.08 ? 335 A 1 +ATOM 5806 H H . GLY A 1 345 ? -11.593 16.116 -0.767 1.0 30.99 ? 335 A 1 +ATOM 5807 H HA2 . GLY A 1 345 ? -10.478 18.187 0.341 1.0 26.8 ? 335 A 1 +ATOM 5808 H HA3 . GLY A 1 345 ? -11.598 18.253 -0.77 1.0 26.8 ? 335 A 1 +ATOM 5809 N N . ARG A 1 346 ? -11.985 19.446 1.794 1.0 22.35 ? 336 A 1 +ATOM 5810 C CA . ARG A 1 346 ? -12.792 20.042 2.854 1.0 27.0 ? 336 A 1 +ATOM 5811 C C . ARG A 1 346 ? -13.672 21.17 2.368 1.0 26.75 ? 336 A 1 +ATOM 5812 O O . ARG A 1 346 ? -14.623 21.56 3.054 1.0 33.91 ? 336 A 1 +ATOM 5813 C CB . ARG A 1 346 ? -11.872 20.603 3.949 1.0 31.48 ? 336 A 1 +ATOM 5814 C CG . ARG A 1 346 ? -11.069 19.514 4.696 1.0 39.58 ? 336 A 1 +ATOM 5815 H H . ARG A 1 346 ? -11.248 19.866 1.654 1.0 26.82 ? 336 A 1 +ATOM 5816 H HA . ARG A 1 346 ? -13.359 19.352 3.232 1.0 32.41 ? 336 A 1 +ATOM 5817 H HB2 . ARG A 1 346 ? -11.237 21.214 3.542 1.0 37.78 ? 336 A 1 +ATOM 5818 H HB3 . ARG A 1 346 ? -12.413 21.074 4.602 1.0 37.78 ? 336 A 1 +ATOM 5819 N N . ASP A 1 347 ? -13.339 21.757 1.233 1.0 20.8 ? 337 A 1 +ATOM 5820 C CA . ASP A 1 347 ? -14.09 22.841 0.627 1.0 19.86 ? 337 A 1 +ATOM 5821 C C . ASP A 1 347 ? -14.278 22.465 -0.841 1.0 18.72 ? 337 A 1 +ATOM 5822 O O . ASP A 1 347 ? -14.22 21.294 -1.214 1.0 18.03 ? 337 A 1 +ATOM 5823 C CB . ASP A 1 347 ? -13.302 24.131 0.89 1.0 21.04 ? 337 A 1 +ATOM 5824 C CG . ASP A 1 347 ? -11.913 24.146 0.241 1.0 27.38 ? 337 A 1 +ATOM 5825 O OD1 . ASP A 1 347 ? -11.564 23.243 -0.536 1.0 21.1 ? 337 A 1 +ATOM 5826 O OD2 . ASP A 1 347 ? -11.105 25.056 0.549 1.0 28.42 ? 337 A 1 +ATOM 5827 H H . ASP A 1 347 ? -12.649 21.535 0.771 1.0 24.96 ? 337 A 1 +ATOM 5828 H HA . ASP A 1 347 ? -14.979 22.949 1.0 1.0 23.84 ? 337 A 1 +ATOM 5829 H HB2 . ASP A 1 347 ? -13.803 24.882 0.535 1.0 25.25 ? 337 A 1 +ATOM 5830 H HB3 . ASP A 1 347 ? -13.182 24.234 1.847 1.0 25.25 ? 337 A 1 +ATOM 5831 N N . TRP A 1 348 ? -14.547 23.446 -1.699 1.0 17.5 ? 338 A 1 +ATOM 5832 C CA . TRP A 1 348 ? -14.799 23.144 -3.108 1.0 16.26 ? 338 A 1 +ATOM 5833 C C . TRP A 1 348 ? -13.532 22.82 -3.88 1.0 16.8 ? 338 A 1 +ATOM 5834 O O . TRP A 1 348 ? -13.627 22.4 -5.046 1.0 15.66 ? 338 A 1 +ATOM 5835 C CB . TRP A 1 348 ? -15.488 24.324 -3.826 1.0 18.19 ? 338 A 1 +ATOM 5836 C CG . TRP A 1 348 ? -16.865 24.647 -3.332 1.0 18.02 ? 338 A 1 +ATOM 5837 C CD1 . TRP A 1 348 ? -17.564 23.979 -2.41 1.0 20.13 ? 338 A 1 +ATOM 5838 C CD2 . TRP A 1 348 ? -17.706 25.719 -3.789 1.0 17.71 ? 338 A 1 +ATOM 5839 N NE1 . TRP A 1 348 ? -18.828 24.574 -2.258 1.0 20.22 ? 338 A 1 +ATOM 5840 C CE2 . TRP A 1 348 ? -18.912 25.648 -3.093 1.0 19.06 ? 338 A 1 +ATOM 5841 C CE3 . TRP A 1 348 ? -17.534 26.736 -4.723 1.0 19.69 ? 338 A 1 +ATOM 5842 C CZ2 . TRP A 1 348 ? -19.957 26.568 -3.292 1.0 20.5 ? 338 A 1 +ATOM 5843 C CZ3 . TRP A 1 348 ? -18.577 27.605 -4.958 1.0 22.66 ? 338 A 1 +ATOM 5844 C CH2 . TRP A 1 348 ? -19.758 27.532 -4.235 1.0 21.76 ? 338 A 1 +ATOM 5845 H H . TRP A 1 348 ? -14.589 24.281 -1.495 1.0 21.0 ? 338 A 1 +ATOM 5846 H HA . TRP A 1 348 ? -15.399 22.382 -3.13 1.0 19.51 ? 338 A 1 +ATOM 5847 H HB2 . TRP A 1 348 ? -14.943 25.118 -3.706 1.0 21.83 ? 338 A 1 +ATOM 5848 H HB3 . TRP A 1 348 ? -15.56 24.111 -4.769 1.0 21.83 ? 338 A 1 +ATOM 5849 H HD1 . TRP A 1 348 ? -17.26 23.236 -1.941 1.0 24.16 ? 338 A 1 +ATOM 5850 H HE1 . TRP A 1 348 ? -19.447 24.304 -1.725 1.0 24.27 ? 338 A 1 +ATOM 5851 H HE3 . TRP A 1 348 ? -16.729 26.827 -5.181 1.0 23.62 ? 338 A 1 +ATOM 5852 H HZ2 . TRP A 1 348 ? -20.747 26.522 -2.803 1.0 24.59 ? 338 A 1 +ATOM 5853 H HZ3 . TRP A 1 348 ? -18.486 28.256 -5.617 1.0 27.19 ? 338 A 1 +ATOM 5854 H HH2 . TRP A 1 348 ? -20.429 28.154 -4.397 1.0 26.11 ? 338 A 1 +ATOM 5855 N N . GLY A 1 349 ? -12.349 23.01 -3.324 1.0 16.33 ? 339 A 1 +ATOM 5856 C CA . GLY A 1 349 ? -11.125 22.661 -4.016 1.0 16.3 ? 339 A 1 +ATOM 5857 C C . GLY A 1 349 ? -10.878 23.538 -5.228 1.0 15.57 ? 339 A 1 +ATOM 5858 O O . GLY A 1 349 ? -10.31 23.049 -6.207 1.0 16.35 ? 339 A 1 +ATOM 5859 H H . GLY A 1 349 ? -12.227 23.342 -2.541 1.0 19.6 ? 339 A 1 +ATOM 5860 H HA2 . GLY A 1 349 ? -10.375 22.758 -3.409 1.0 19.56 ? 339 A 1 +ATOM 5861 H HA3 . GLY A 1 349 ? -11.175 21.738 -4.31 1.0 19.56 ? 339 A 1 +ATOM 5862 N N . GLY A 1 350 ? -11.224 24.811 -5.19 1.0 16.17 ? 340 A 1 +ATOM 5863 C CA . GLY A 1 350 ? -10.895 25.701 -6.288 1.0 16.6 ? 340 A 1 +ATOM 5864 C C . GLY A 1 350 ? -9.412 25.94 -6.386 1.0 17.37 ? 340 A 1 +ATOM 5865 O O . GLY A 1 350 ? -8.683 25.847 -5.407 1.0 18.4 ? 340 A 1 +ATOM 5866 H H . GLY A 1 350 ? -11.649 25.186 -4.543 1.0 19.41 ? 340 A 1 +ATOM 5867 H HA2 . GLY A 1 350 ? -11.201 25.312 -7.122 1.0 19.92 ? 340 A 1 +ATOM 5868 H HA3 . GLY A 1 350 ? -11.337 26.554 -6.156 1.0 19.92 ? 340 A 1 +ATOM 5869 N N . ARG A 1 351 ? -8.916 26.219 -7.59 1.0 16.61 ? 341 A 1 +ATOM 5870 C CA . ARG A 1 351 ? -7.501 26.471 -7.749 1.0 15.79 ? 341 A 1 +ATOM 5871 C C . ARG A 1 351 ? -7.104 27.719 -6.988 1.0 18.81 ? 341 A 1 +ATOM 5872 O O . ARG A 1 351 ? -7.771 28.758 -7.064 1.0 19.38 ? 341 A 1 +ATOM 5873 C CB . ARG A 1 351 ? -7.194 26.651 -9.239 1.0 17.79 ? 341 A 1 +ATOM 5874 C CG . ARG A 1 351 ? -5.725 26.815 -9.597 1.0 17.39 ? 341 A 1 +ATOM 5875 C CD . ARG A 1 351 ? -5.36 28.264 -9.656 1.0 19.51 ? 341 A 1 +ATOM 5876 N NE . ARG A 1 351 ? -3.928 28.494 -9.888 1.0 21.36 ? 341 A 1 +ATOM 5877 C CZ . ARG A 1 351 ? -3.368 28.79 -11.053 1.0 21.27 ? 341 A 1 +ATOM 5878 N NH1 . ARG A 1 351 ? -4.1 28.912 -12.16 1.0 18.97 ? 341 A 1 +ATOM 5879 N NH2 . ARG A 1 351 ? -2.065 28.998 -11.098 1.0 21.39 ? 341 A 1 +ATOM 5880 H H . ARG A 1 351 ? -9.376 26.265 -8.315 1.0 19.93 ? 341 A 1 +ATOM 5881 H HA . ARG A 1 351 ? -6.986 25.725 -7.404 1.0 18.95 ? 341 A 1 +ATOM 5882 H HB2 . ARG A 1 351 ? -7.52 25.869 -9.713 1.0 21.35 ? 341 A 1 +ATOM 5883 H HB3 . ARG A 1 351 ? -7.657 27.444 -9.551 1.0 21.35 ? 341 A 1 +ATOM 5884 H HG2 . ARG A 1 351 ? -5.176 26.385 -8.923 1.0 20.87 ? 341 A 1 +ATOM 5885 H HG3 . ARG A 1 351 ? -5.555 26.418 -10.465 1.0 20.87 ? 341 A 1 +ATOM 5886 H HD2 . ARG A 1 351 ? -5.849 28.682 -10.382 1.0 23.41 ? 341 A 1 +ATOM 5887 H HD3 . ARG A 1 351 ? -5.596 28.682 -8.814 1.0 23.41 ? 341 A 1 +ATOM 5888 H HE . ARG A 1 351 ? -3.406 28.432 -9.207 1.0 25.63 ? 341 A 1 +ATOM 5889 H HH11 . ARG A 1 351 ? -4.952 28.798 -12.127 1.0 22.76 ? 341 A 1 +ATOM 5890 H HH12 . ARG A 1 351 ? -3.72 29.105 -12.907 1.0 22.76 ? 341 A 1 +ATOM 5891 H HH21 . ARG A 1 351 ? -1.595 28.94 -10.38 1.0 25.67 ? 341 A 1 +ATOM 5892 H HH22 . ARG A 1 351 ? -1.686 29.191 -11.845 1.0 25.67 ? 341 A 1 +ATOM 5893 N N . LYS A 1 352 ? -5.991 27.612 -6.266 1.0 18.03 ? 342 A 1 +ATOM 5894 C CA . LYS A 1 352 ? -5.428 28.727 -5.512 1.0 19.05 ? 342 A 1 +ATOM 5895 C C . LYS A 1 352 ? -4.082 29.117 -6.111 1.0 20.75 ? 342 A 1 +ATOM 5896 O O . LYS A 1 352 ? -3.468 28.375 -6.882 1.0 19.79 ? 342 A 1 +ATOM 5897 C CB . LYS A 1 352 ? -5.279 28.338 -4.033 1.0 20.36 ? 342 A 1 +ATOM 5898 C CG . LYS A 1 352 ? -6.576 28.007 -3.371 1.0 23.77 ? 342 A 1 +ATOM 5899 C CD . LYS A 1 352 ? -7.514 29.222 -3.359 1.0 38.16 ? 342 A 1 +ATOM 5900 C CE . LYS A 1 352 ? -8.722 29.056 -2.425 1.0 57.78 ? 342 A 1 +ATOM 5901 N NZ . LYS A 1 352 ? -9.727 28.09 -2.937 1.0 77.35 ? 342 A 1 +ATOM 5902 H H . LYS A 1 352 ? -5.534 26.887 -6.197 1.0 21.63 ? 342 A 1 +ATOM 5903 H HA . LYS A 1 352 ? -6.008 29.503 -5.559 1.0 22.86 ? 342 A 1 +ATOM 5904 H HB2 . LYS A 1 352 ? -4.706 27.558 -3.971 1.0 24.43 ? 342 A 1 +ATOM 5905 H HB3 . LYS A 1 352 ? -4.881 29.081 -3.553 1.0 24.43 ? 342 A 1 +ATOM 5906 H HG2 . LYS A 1 352 ? -7.011 27.288 -3.855 1.0 28.53 ? 342 A 1 +ATOM 5907 H HG3 . LYS A 1 352 ? -6.411 27.738 -2.454 1.0 28.53 ? 342 A 1 +ATOM 5908 H HD2 . LYS A 1 352 ? -7.016 30.0 -3.063 1.0 45.79 ? 342 A 1 +ATOM 5909 H HD3 . LYS A 1 352 ? -7.851 29.366 -4.257 1.0 45.79 ? 342 A 1 +ATOM 5910 H HE2 . LYS A 1 352 ? -8.413 28.736 -1.564 1.0 69.34 ? 342 A 1 +ATOM 5911 H HE3 . LYS A 1 352 ? -9.161 29.915 -2.322 1.0 69.34 ? 342 A 1 +ATOM 5912 H HZ1 . LYS A 1 352 ? -9.355 27.287 -3.034 1.0 92.82 ? 342 A 1 +ATOM 5913 H HZ2 . LYS A 1 352 ? -10.407 28.027 -2.367 1.0 92.82 ? 342 A 1 +ATOM 5914 H HZ3 . LYS A 1 352 ? -10.036 28.362 -3.727 1.0 92.82 ? 342 A 1 +ATOM 5915 N N . ARG A 1 353 ? -3.6 30.298 -5.738 1.0 23.02 ? 343 A 1 +ATOM 5916 C CA . ARG A 1 353 ? -2.322 30.8 -6.211 1.0 26.32 ? 343 A 1 +ATOM 5917 C C . ARG A 1 353 ? -1.39 30.885 -5.019 1.0 25.14 ? 343 A 1 +ATOM 5918 O O . ARG A 1 353 ? -1.378 31.886 -4.297 1.0 30.35 ? 343 A 1 +ATOM 5919 C CB . ARG A 1 353 ? -2.527 32.122 -6.889 1.0 26.82 ? 343 A 1 +ATOM 5920 C CG . ARG A 1 353 ? -3.344 31.953 -8.156 1.0 27.3 ? 343 A 1 +ATOM 5921 C CD . ARG A 1 353 ? -3.506 33.258 -8.883 1.0 32.49 ? 343 A 1 +ATOM 5922 N NE . ARG A 1 353 ? -4.397 33.042 -10.009 1.0 35.42 ? 343 A 1 +ATOM 5923 C CZ . ARG A 1 353 ? -3.98 32.604 -11.185 1.0 32.18 ? 343 A 1 +ATOM 5924 N NH1 . ARG A 1 353 ? -2.689 32.361 -11.378 1.0 32.28 ? 343 A 1 +ATOM 5925 N NH2 . ARG A 1 353 ? -4.855 32.419 -12.152 1.0 31.11 ? 343 A 1 +ATOM 5926 H H . ARG A 1 353 ? -4.006 30.833 -5.201 1.0 27.62 ? 343 A 1 +ATOM 5927 H HA . ARG A 1 353 ? -1.921 30.184 -6.844 1.0 31.58 ? 343 A 1 +ATOM 5928 H HB2 . ARG A 1 353 ? -3.002 32.722 -6.292 1.0 32.19 ? 343 A 1 +ATOM 5929 H HB3 . ARG A 1 353 ? -1.666 32.502 -7.124 1.0 32.19 ? 343 A 1 +ATOM 5930 H HG2 . ARG A 1 353 ? -2.895 31.328 -8.746 1.0 32.76 ? 343 A 1 +ATOM 5931 H HG3 . ARG A 1 353 ? -4.225 31.62 -7.927 1.0 32.76 ? 343 A 1 +ATOM 5932 H HD2 . ARG A 1 353 ? -3.893 33.923 -8.293 1.0 38.99 ? 343 A 1 +ATOM 5933 H HD3 . ARG A 1 353 ? -2.646 33.566 -9.211 1.0 38.99 ? 343 A 1 +ATOM 5934 H HE . ARG A 1 353 ? -5.235 33.205 -9.906 1.0 42.5 ? 343 A 1 +ATOM 5935 H HH11 . ARG A 1 353 ? -2.128 32.488 -10.739 1.0 38.74 ? 343 A 1 +ATOM 5936 H HH12 . ARG A 1 353 ? -2.415 32.077 -12.142 1.0 38.74 ? 343 A 1 +ATOM 5937 H HH21 . ARG A 1 353 ? -5.689 32.581 -12.015 1.0 37.33 ? 343 A 1 +ATOM 5938 H HH22 . ARG A 1 353 ? -4.593 32.135 -12.92 1.0 37.33 ? 343 A 1 +ATOM 5939 N N . VAL A 1 354 ? -0.654 29.81 -4.768 1.0 25.61 ? 344 A 1 +ATOM 5940 C CA . VAL A 1 354 ? 0.275 29.726 -3.65 1.0 23.4 ? 344 A 1 +ATOM 5941 C C . VAL A 1 354 ? 1.711 29.529 -4.085 1.0 24.89 ? 344 A 1 +ATOM 5942 O O . VAL A 1 354 ? 2.629 29.652 -3.223 1.0 28.28 ? 344 A 1 +ATOM 5943 C CB . VAL A 1 354 ? -0.108 28.655 -2.609 1.0 30.78 ? 344 A 1 +ATOM 5944 C CG1 . VAL A 1 354 ? -1.375 29.054 -1.881 1.0 29.3 ? 344 A 1 +ATOM 5945 C CG2 . VAL A 1 354 ? -0.254 27.279 -3.262 1.0 26.59 ? 344 A 1 +ATOM 5946 H H . VAL A 1 354 ? -0.676 29.094 -5.245 1.0 30.73 ? 344 A 1 +ATOM 5947 H HA . VAL A 1 354 ? 0.222 30.577 -3.187 1.0 28.08 ? 344 A 1 +ATOM 5948 H HB . VAL A 1 354 ? 0.605 28.588 -1.955 1.0 36.94 ? 344 A 1 +ATOM 5949 H HG11 . VAL A 1 354 ? -1.596 28.368 -1.232 1.0 35.16 ? 344 A 1 +ATOM 5950 H HG12 . VAL A 1 354 ? -1.227 29.9 -1.43 1.0 35.16 ? 344 A 1 +ATOM 5951 H HG13 . VAL A 1 354 ? -2.095 29.144 -2.525 1.0 35.16 ? 344 A 1 +ATOM 5952 H HG21 . VAL A 1 354 ? -0.497 26.631 -2.582 1.0 31.91 ? 344 A 1 +ATOM 5953 H HG22 . VAL A 1 354 ? -0.948 27.323 -3.939 1.0 31.91 ? 344 A 1 +ATOM 5954 H HG23 . VAL A 1 354 ? 0.59 27.031 -3.669 1.0 31.91 ? 344 A 1 +ATOM 5955 N N . PHE A 1 355 ? 1.948 29.279 -5.377 1.0 24.53 ? 345 A 1 +ATOM 5956 C CA . PHE A 1 355 ? 3.293 29.144 -5.916 1.0 26.25 ? 345 A 1 +ATOM 5957 C C . PHE A 1 355 ? 3.764 30.49 -6.468 1.0 41.98 ? 345 A 1 +ATOM 5958 O O . PHE A 1 355 ? 3.087 31.103 -7.307 1.0 34.57 ? 345 A 1 +ATOM 5959 C CB . PHE A 1 355 ? 3.341 28.113 -7.037 1.0 24.84 ? 345 A 1 +ATOM 5960 C CG . PHE A 1 355 ? 4.725 27.856 -7.53 1.0 27.27 ? 345 A 1 +ATOM 5961 C CD1 . PHE A 1 355 ? 5.574 27.017 -6.837 1.0 24.6 ? 345 A 1 +ATOM 5962 C CD2 . PHE A 1 355 ? 5.183 28.44 -8.693 1.0 31.65 ? 345 A 1 +ATOM 5963 C CE1 . PHE A 1 355 ? 6.874 26.821 -7.251 1.0 31.19 ? 345 A 1 +ATOM 5964 C CE2 . PHE A 1 355 ? 6.479 28.23 -9.106 1.0 31.65 ? 345 A 1 +ATOM 5965 C CZ . PHE A 1 355 ? 7.318 27.419 -8.403 1.0 28.6 ? 345 A 1 +ATOM 5966 H H . PHE A 1 355 ? 1.331 29.181 -5.968 1.0 29.43 ? 345 A 1 +ATOM 5967 H HA . PHE A 1 355 ? 3.883 28.858 -5.202 1.0 31.5 ? 345 A 1 +ATOM 5968 H HB2 . PHE A 1 355 ? 2.979 27.275 -6.71 1.0 29.8 ? 345 A 1 +ATOM 5969 H HB3 . PHE A 1 355 ? 2.812 28.434 -7.784 1.0 29.8 ? 345 A 1 +ATOM 5970 H HD1 . PHE A 1 355 ? 5.265 26.577 -6.079 1.0 29.52 ? 345 A 1 +ATOM 5971 H HD2 . PHE A 1 355 ? 4.615 28.976 -9.199 1.0 37.98 ? 345 A 1 +ATOM 5972 H HE1 . PHE A 1 355 ? 7.447 26.286 -6.751 1.0 37.43 ? 345 A 1 +ATOM 5973 H HE2 . PHE A 1 355 ? 6.787 28.648 -9.877 1.0 37.98 ? 345 A 1 +ATOM 5974 H HZ . PHE A 1 355 ? 8.187 27.273 -8.701 1.0 34.33 ? 345 A 1 +ATOM 5975 N N . THR A 1 356 ? 4.951 30.904 -6.041 1.0 36.21 ? 346 A 1 +ATOM 5976 C CA . THR A 1 356 ? 5.494 32.241 -6.349 1.0 95.29 ? 346 A 1 +ATOM 5977 C C . THR A 1 356 ? 4.423 33.337 -6.326 1.0 77.1 ? 346 A 1 +ATOM 5978 O O . THR A 1 356 ? 3.764 33.562 -5.308 1.0 69.13 ? 346 A 1 +ATOM 5979 C CB . THR A 1 356 ? 6.216 32.271 -7.723 1.0 45.92 ? 346 A 1 +ATOM 5980 H H . THR A 1 356 ? 5.48 30.426 -5.56 1.0 43.45 ? 346 A 1 +ATOM 5981 H HA . THR A 1 356 ? 6.139 32.46 -5.658 1.0 114.34 ? 346 A 1 +HETATM 5982 N N . CYS B 2 357 ? -13.62 11.653 -17.753 1.0 15.5 ? 401 A 1 +HETATM 5983 C CA . CYS B 2 357 ? -13.258 11.104 -19.086 1.0 14.53 ? 401 A 1 +HETATM 5984 C C . CYS B 2 357 ? -11.777 10.907 -18.976 1.0 19.5 ? 401 A 1 +HETATM 5985 O O . CYS B 2 357 ? -11.206 9.988 -19.577 1.0 21.3 ? 401 A 1 +HETATM 5986 C CB . CYS B 2 357 ? -13.549 12.161 -20.146 1.0 15.72 ? 401 A 1 +HETATM 5987 S SG . CYS B 2 357 ? -12.837 13.793 -19.661 1.0 14.51 ? 401 A 1 +HETATM 5988 O OXT . CYS B 2 357 ? -11.137 11.77 -18.293 1.0 18.79 ? 401 A 1 +HETATM 5989 H HA . CYS B 2 357 ? -13.734 10.298 -19.339 1.0 17.44 ? 401 A 1 +HETATM 5990 H HB2 . CYS B 2 357 ? -13.154 11.89 -20.989 1.0 18.87 ? 401 A 1 +HETATM 5991 H HB3 . CYS B 2 357 ? -14.509 12.261 -20.246 1.0 18.87 ? 401 A 1 +HETATM 5992 FE FE . FE2 C 3 358 ? -12.387 13.254 -17.469 1.0 14.79 ? 402 A 1 +HETATM 5993 C C C CMO D 4 359 ? -13.654 14.394 -16.878 0.93 15.47 ? 403 A 1 +HETATM 5994 O O C CMO D 4 359 ? -14.462 15.123 -16.5 0.93 17.1 ? 403 A 1 +HETATM 5995 C C C CMO E 4 360 ? -11.117 14.498 -17.376 0.96 14.1 ? 404 A 1 +HETATM 5996 O O C CMO E 4 360 ? -10.282 15.318 -17.308 0.96 15.65 ? 404 A 1 +HETATM 5997 C C . CYN F 5 361 ? -11.936 12.582 -15.952 1.0 16.12 ? 405 A 1 +HETATM 5998 N N . CYN F 5 361 ? -11.615 12.105 -14.879 1.0 14.92 ? 405 A 1 +HETATM 5999 C C . PYR G 6 362 ? -6.947 7.429 -40.8 1.0 56.9 ? 406 A 1 +HETATM 6000 O O . PYR G 6 362 ? -6.283 6.301 -40.895 1.0 57.5 ? 406 A 1 +HETATM 6001 O OXT . PYR G 6 362 ? -8.258 7.366 -40.833 1.0 56.71 ? 406 A 1 +HETATM 6002 C CA . PYR G 6 362 ? -6.295 8.664 -40.657 1.0 57.62 ? 406 A 1 +HETATM 6003 O O3 . PYR G 6 362 ? -6.927 9.794 -40.892 1.0 60.52 ? 406 A 1 +HETATM 6004 C CB . PYR G 6 362 ? -4.859 8.74 -40.223 1.0 55.28 ? 406 A 1 +HETATM 6005 H HB1 . PYR G 6 362 ? -4.21 8.649 -41.094 1.0 66.34 ? 406 A 1 +HETATM 6006 H HB2 . PYR G 6 362 ? -4.677 9.697 -39.734 1.0 66.34 ? 406 A 1 +HETATM 6007 H HB3 . PYR G 6 362 ? -4.647 7.93 -39.526 1.0 66.34 ? 406 A 1 +HETATM 6008 C C1 A GOL H 7 363 ? -13.852 26.587 -1.22 0.82 40.6 ? 407 A 1 +HETATM 6009 O O1 A GOL H 7 363 ? -13.272 27.014 -2.397 0.82 38.97 ? 407 A 1 +HETATM 6010 C C2 A GOL H 7 363 ? -14.767 27.657 -0.692 0.82 38.62 ? 407 A 1 +HETATM 6011 O O2 A GOL H 7 363 ? -15.368 27.265 0.544 0.82 44.83 ? 407 A 1 +HETATM 6012 C C3 A GOL H 7 363 ? -15.845 27.845 -1.778 0.82 42.1 ? 407 A 1 +HETATM 6013 O O3 A GOL H 7 363 ? -16.99 28.225 -1.083 0.82 46.84 ? 407 A 1 +HETATM 6014 H H11 A GOL H 7 363 ? -13.19 26.384 -0.541 0.82 48.72 ? 407 A 1 +HETATM 6015 H H12 A GOL H 7 363 ? -14.366 25.774 -1.342 0.82 48.72 ? 407 A 1 +HETATM 6016 H H2 A GOL H 7 363 ? -14.269 28.474 -0.533 0.82 46.35 ? 407 A 1 +HETATM 6017 H HO2 A GOL H 7 363 ? -16.146 27.605 0.57 0.82 53.8 ? 407 A 1 +HETATM 6018 H H31 A GOL H 7 363 ? -15.946 27.021 -2.28 0.82 50.52 ? 407 A 1 +HETATM 6019 H H32 A GOL H 7 363 ? -15.542 28.503 -2.423 0.82 50.52 ? 407 A 1 +HETATM 6020 N N . SAH I 8 364 ? -17.865 17.003 -26.042 1.0 15.52 ? 408 A 1 +HETATM 6021 C CA . SAH I 8 364 ? -17.075 17.569 -24.928 1.0 13.98 ? 408 A 1 +HETATM 6022 C CB . SAH I 8 364 ? -17.07 16.718 -23.687 1.0 16.79 ? 408 A 1 +HETATM 6023 C CG . SAH I 8 364 ? -17.189 15.242 -23.847 1.0 18.34 ? 408 A 1 +HETATM 6024 S SD . SAH I 8 364 ? -15.779 14.412 -24.57 1.0 19.12 ? 408 A 1 +HETATM 6025 C C . SAH I 8 364 ? -15.673 17.89 -25.432 1.0 15.58 ? 408 A 1 +HETATM 6026 O O . SAH I 8 364 ? -14.983 18.683 -24.861 1.0 15.41 ? 408 A 1 +HETATM 6027 O OXT . SAH I 8 364 ? -15.354 17.308 -26.538 1.0 16.89 ? 408 A 1 +HETATM 6028 C C5' . SAH I 8 364 ? -14.672 14.417 -23.123 1.0 19.7 ? 408 A 1 +HETATM 6029 C C4' . SAH I 8 364 ? -13.223 14.058 -23.438 1.0 16.19 ? 408 A 1 +HETATM 6030 O O4' . SAH I 8 364 ? -13.1 12.691 -23.698 1.0 17.08 ? 408 A 1 +HETATM 6031 C C3' . SAH I 8 364 ? -12.552 14.719 -24.616 1.0 14.58 ? 408 A 1 +HETATM 6032 O O3' . SAH I 8 364 ? -12.114 16.019 -24.243 1.0 16.83 ? 408 A 1 +HETATM 6033 C C2' . SAH I 8 364 ? -11.375 13.766 -24.892 1.0 14.5 ? 408 A 1 +HETATM 6034 O O2' . SAH I 8 364 ? -10.169 14.207 -24.323 1.0 16.84 ? 408 A 1 +HETATM 6035 C C1' . SAH I 8 364 ? -11.815 12.456 -24.215 1.0 14.78 ? 408 A 1 +HETATM 6036 N N9 . SAH I 8 364 ? -11.906 11.313 -25.151 1.0 13.49 ? 408 A 1 +HETATM 6037 C C8 . SAH I 8 364 ? -12.756 11.213 -26.252 1.0 15.31 ? 408 A 1 +HETATM 6038 N N7 . SAH I 8 364 ? -12.456 10.119 -26.909 1.0 14.76 ? 408 A 1 +HETATM 6039 C C5 . SAH I 8 364 ? -11.389 9.515 -26.298 1.0 14.68 ? 408 A 1 +HETATM 6040 C C6 . SAH I 8 364 ? -10.636 8.377 -26.563 1.0 14.06 ? 408 A 1 +HETATM 6041 N N6 . SAH I 8 364 ? -10.879 7.568 -27.608 1.0 14.29 ? 408 A 1 +HETATM 6042 N N1 . SAH I 8 364 ? -9.616 8.087 -25.732 1.0 14.25 ? 408 A 1 +HETATM 6043 C C2 . SAH I 8 364 ? -9.355 8.843 -24.658 1.0 14.58 ? 408 A 1 +HETATM 6044 N N3 . SAH I 8 364 ? -10.058 9.951 -24.351 1.0 14.39 ? 408 A 1 +HETATM 6045 C C4 . SAH I 8 364 ? -11.056 10.289 -25.186 1.0 13.52 ? 408 A 1 +HETATM 6046 H H2 . SAH I 8 364 ? -8.536 8.548 -24.001 1.0 17.5 ? 408 A 1 +HETATM 6047 H HN1 . SAH I 8 364 ? -18.702 16.964 -25.862 1.0 18.63 ? 408 A 1 +HETATM 6048 H HN2 . SAH I 8 364 ? -17.937 17.52 -26.725 1.0 18.63 ? 408 A 1 +HETATM 6049 H HA . SAH I 8 364 ? -17.499 18.396 -24.617 1.0 16.78 ? 408 A 1 +HETATM 6050 H HB1 . SAH I 8 364 ? -17.894 17.054 -23.058 1.0 20.14 ? 408 A 1 +HETATM 6051 H HB2 . SAH I 8 364 ? -16.139 16.922 -23.156 1.0 20.14 ? 408 A 1 +HETATM 6052 H HG1 . SAH I 8 364 ? -18.06 15.038 -24.47 1.0 22.01 ? 408 A 1 +HETATM 6053 H HG2 . SAH I 8 364 ? -17.371 14.808 -22.864 1.0 22.01 ? 408 A 1 +HETATM 6054 H H5'1 . SAH I 8 364 ? -15.055 13.708 -22.39 1.0 23.64 ? 408 A 1 +HETATM 6055 H H5'2 . SAH I 8 364 ? -14.694 15.41 -22.673 1.0 23.64 ? 408 A 1 +HETATM 6056 H H4' . SAH I 8 364 ? -12.727 14.413 -22.535 1.0 19.42 ? 408 A 1 +HETATM 6057 H H3' . SAH I 8 364 ? -13.187 14.869 -25.489 1.0 17.5 ? 408 A 1 +HETATM 6058 H HO3' . SAH I 8 364 ? -11.135 16.058 -24.286 1.0 20.2 ? 408 A 1 +HETATM 6059 H H2' . SAH I 8 364 ? -11.171 13.682 -25.96 1.0 17.4 ? 408 A 1 +HETATM 6060 H HO2' . SAH I 8 364 ? -9.811 13.509 -23.735 1.0 20.21 ? 408 A 1 +HETATM 6061 H H1' . SAH I 8 364 ? -11.067 12.204 -23.464 1.0 17.74 ? 408 A 1 +HETATM 6062 H H8 . SAH I 8 364 ? -13.537 11.924 -26.52 1.0 18.37 ? 408 A 1 +HETATM 6063 H HN61 . SAH I 8 364 ? -11.64 7.777 -28.246 1.0 17.15 ? 408 A 1 +HETATM 6064 H HN62 . SAH I 8 364 ? -10.3 6.747 -27.76 1.0 17.15 ? 408 A 1 +HETATM 6065 P P . PO4 J 9 365 ? 8.003 28.971 -13.083 1.0 78.39 ? 409 A 1 +HETATM 6066 O O1 . PO4 J 9 365 ? 8.416 28.801 -14.525 1.0 78.44 ? 409 A 1 +HETATM 6067 O O2 . PO4 J 9 365 ? 6.834 28.065 -12.775 1.0 77.58 ? 409 A 1 +HETATM 6068 O O3 . PO4 J 9 365 ? 7.594 30.403 -12.845 1.0 80.67 ? 409 A 1 +HETATM 6069 O O4 . PO4 J 9 365 ? 9.166 28.635 -12.171 1.0 79.12 ? 409 A 1 +HETATM 6070 P P . PO4 K 9 366 ? -15.521 5.422 -12.462 0.96 29.98 ? 410 A 1 +HETATM 6071 O O1 . PO4 K 9 366 ? -15.041 6.241 -13.574 0.96 34.04 ? 410 A 1 +HETATM 6072 O O2 . PO4 K 9 366 ? -14.487 4.409 -12.015 0.96 34.36 ? 410 A 1 +HETATM 6073 O O3 . PO4 K 9 366 ? -16.639 4.543 -13.013 0.96 40.68 ? 410 A 1 +HETATM 6074 O O4 . PO4 K 9 366 ? -16.024 6.091 -11.297 0.96 30.35 ? 410 A 1 +HETATM 6075 P P A PO4 L 9 367 ? 4.639 4.645 -8.181 0.46 42.84 ? 411 A 1 +HETATM 6076 P P B PO4 L 9 367 ? 6.483 6.365 -6.973 0.54 48.42 ? 411 A 1 +HETATM 6077 O O1 A PO4 L 9 367 ? 5.005 3.882 -9.445 0.46 41.03 ? 411 A 1 +HETATM 6078 O O1 B PO4 L 9 367 ? 6.594 4.861 -7.019 0.54 49.69 ? 411 A 1 +HETATM 6079 O O2 A PO4 L 9 367 ? 3.153 4.486 -7.791 0.46 36.41 ? 411 A 1 +HETATM 6080 O O2 B PO4 L 9 367 ? 5.039 6.73 -7.266 0.54 44.99 ? 411 A 1 +HETATM 6081 O O3 A PO4 L 9 367 ? 5.458 4.2 -7.004 0.46 41.84 ? 411 A 1 +HETATM 6082 O O3 B PO4 L 9 367 ? 6.801 6.865 -5.574 0.54 41.11 ? 411 A 1 +HETATM 6083 O O4 A PO4 L 9 367 ? 4.939 6.108 -8.399 0.46 43.47 ? 411 A 1 +HETATM 6084 O O4 B PO4 L 9 367 ? 7.424 6.948 -7.999 0.54 50.62 ? 411 A 1 +HETATM 6085 P P . PO4 M 9 368 ? -16.748 -1.865 -23.51 0.66 49.03 ? 412 A 1 +HETATM 6086 O O1 . PO4 M 9 368 ? -15.705 -1.77 -24.582 0.66 50.1 ? 412 A 1 +HETATM 6087 O O2 . PO4 M 9 368 ? -17.149 -3.323 -23.348 0.66 51.67 ? 412 A 1 +HETATM 6088 O O3 . PO4 M 9 368 ? -17.957 -1.021 -23.834 0.66 43.93 ? 412 A 1 +HETATM 6089 O O4 . PO4 M 9 368 ? -16.196 -1.448 -22.192 0.66 45.55 ? 412 A 1 +HETATM 6090 P P . PO4 N 9 369 ? 12.855 26.598 -26.938 0.64 42.51 ? 413 A 1 +HETATM 6091 O O1 . PO4 N 9 369 ? 11.669 26.549 -27.867 0.64 41.15 ? 413 A 1 +HETATM 6092 O O2 . PO4 N 9 369 ? 14.012 25.826 -27.549 0.64 41.85 ? 413 A 1 +HETATM 6093 O O3 . PO4 N 9 369 ? 12.564 26.065 -25.53 0.64 40.27 ? 413 A 1 +HETATM 6094 O O4 . PO4 N 9 369 ? 13.258 28.03 -26.75 0.64 41.72 ? 413 A 1 +HETATM 6095 CL CL . CL O 10 370 ? -13.656 20.424 -11.485 1.0 18.89 ? 414 A 1 +HETATM 6096 FE FE1 . SF4 P 11 371 ? -16.704 13.168 -28.652 1.0 14.51 3 415 A 1 +HETATM 6097 FE FE2 . SF4 P 11 371 ? -18.415 15.035 -29.544 1.0 14.51 3 415 A 1 +HETATM 6098 FE FE3 . SF4 P 11 371 ? -15.796 15.239 -30.166 1.0 14.69 3 415 A 1 +HETATM 6099 FE FE4 . SF4 P 11 371 ? -16.618 15.773 -27.438 1.0 16.4 3 415 A 1 +HETATM 6100 S S1 . SF4 P 11 371 ? -17.092 16.926 -29.468 1.0 15.42 ? 415 A 1 +HETATM 6101 S S2 . SF4 P 11 371 ? -14.845 14.451 -28.213 1.0 14.86 ? 415 A 1 +HETATM 6102 S S3 . SF4 P 11 371 ? -18.333 14.121 -27.454 1.0 14.72 ? 415 A 1 +HETATM 6103 S S4 . SF4 P 11 371 ? -17.281 13.593 -30.861 1.0 14.95 ? 415 A 1 +HETATM 6104 O O . HOH Q 12 372 ? -19.612 -2.124 -23.261 1.0 49.98 ? 501 A 1 +HETATM 6105 O O . HOH Q 12 373 ? -19.483 2.481 -28.077 1.0 42.55 ? 502 A 1 +HETATM 6106 O O . HOH Q 12 374 ? -3.58 12.739 4.824 1.0 33.48 ? 503 A 1 +HETATM 6107 O O . HOH Q 12 375 ? 9.623 16.996 -34.751 1.0 58.83 ? 504 A 1 +HETATM 6108 O O . HOH Q 12 376 ? -0.212 11.671 3.131 1.0 43.13 ? 505 A 1 +HETATM 6109 O O . HOH Q 12 377 ? -17.845 2.97 -14.13 1.0 50.92 ? 506 A 1 +HETATM 6110 O O . HOH Q 12 378 ? -9.806 24.224 -10.622 1.0 21.54 ? 507 A 1 +HETATM 6111 O O . HOH Q 12 379 ? -3.109 18.95 3.117 1.0 34.26 ? 508 A 1 +HETATM 6112 O O . HOH Q 12 380 ? 28.212 14.334 -26.678 1.0 43.38 ? 509 A 1 +HETATM 6113 O O . HOH Q 12 381 ? 15.689 14.1 -26.332 1.0 34.64 ? 510 A 1 +HETATM 6114 O O . HOH Q 12 382 ? -16.465 -1.949 -19.827 1.0 53.36 ? 511 A 1 +HETATM 6115 O O . HOH Q 12 383 ? -23.392 12.083 -32.002 0.4 13.83 ? 512 A 1 +HETATM 6116 O O . HOH Q 12 384 ? 10.315 15.426 -0.555 1.0 40.07 ? 513 A 1 +HETATM 6117 O O . HOH Q 12 385 ? 31.507 8.327 -31.33 1.0 60.62 ? 514 A 1 +HETATM 6118 O O . HOH Q 12 386 ? 10.588 19.241 -28.95 1.0 50.03 ? 515 A 1 +HETATM 6119 O O . HOH Q 12 387 ? -14.021 2.041 -11.512 1.0 43.52 ? 516 A 1 +HETATM 6120 O O . HOH Q 12 388 ? 6.188 2.144 -5.839 1.0 56.79 ? 517 A 1 +HETATM 6121 O O . HOH Q 12 389 ? -11.118 16.128 4.522 1.0 58.42 ? 518 A 1 +HETATM 6122 O O . HOH Q 12 390 ? -38.708 14.79 -9.112 1.0 50.04 ? 519 A 1 +HETATM 6123 O O . HOH Q 12 391 ? -31.457 32.688 -23.397 1.0 52.45 ? 520 A 1 +HETATM 6124 O O . HOH Q 12 392 ? -20.175 6.486 -18.436 1.0 31.42 ? 521 A 1 +HETATM 6125 O O . HOH Q 12 393 ? -14.726 8.734 -13.977 1.0 22.71 ? 522 A 1 +HETATM 6126 O O . HOH Q 12 394 ? 31.785 16.068 -31.64 1.0 31.0 ? 523 A 1 +HETATM 6127 O O . HOH Q 12 395 ? 25.322 3.519 -18.036 1.0 52.13 ? 524 A 1 +HETATM 6128 O O . HOH Q 12 396 ? 0.189 33.909 -24.603 1.0 58.6 ? 525 A 1 +HETATM 6129 O O . HOH Q 12 397 ? -13.917 30.075 -8.921 1.0 50.11 ? 526 A 1 +HETATM 6130 O O . HOH Q 12 398 ? -19.447 20.271 -38.644 1.0 48.16 ? 527 A 1 +HETATM 6131 O O . HOH Q 12 399 ? -10.654 32.843 -15.288 1.0 42.06 ? 528 A 1 +HETATM 6132 O O . HOH Q 12 400 ? 31.954 12.64 -36.06 1.0 52.7 ? 529 A 1 +HETATM 6133 O O . HOH Q 12 401 ? -1.366 29.858 -27.073 1.0 47.88 ? 530 A 1 +HETATM 6134 O O . HOH Q 12 402 ? 5.458 9.082 -5.49 1.0 41.01 ? 531 A 1 +HETATM 6135 O O . HOH Q 12 403 ? -20.468 1.896 -30.399 1.0 26.77 ? 532 A 1 +HETATM 6136 O O . HOH Q 12 404 ? -0.226 9.577 1.206 1.0 37.49 ? 533 A 1 +HETATM 6137 O O . HOH Q 12 405 ? -36.118 19.555 -21.132 1.0 39.3 ? 534 A 1 +HETATM 6138 O O . HOH Q 12 406 ? -19.441 11.13 -42.836 1.0 38.58 ? 535 A 1 +HETATM 6139 O O . HOH Q 12 407 ? 6.778 3.634 -21.949 1.0 35.27 ? 536 A 1 +HETATM 6140 O O . HOH Q 12 408 ? -0.34 15.133 -24.996 1.0 20.48 ? 537 A 1 +HETATM 6141 O O . HOH Q 12 409 ? 2.721 20.302 -31.818 1.0 18.51 ? 538 A 1 +HETATM 6142 O O . HOH Q 12 410 ? -8.531 29.134 -20.631 1.0 43.03 ? 539 A 1 +HETATM 6143 O O . HOH Q 12 411 ? -25.693 6.323 -32.73 1.0 23.27 ? 540 A 1 +HETATM 6144 O O . HOH Q 12 412 ? -25.982 0.363 -15.925 1.0 29.45 ? 541 A 1 +HETATM 6145 O O . HOH Q 12 413 ? -11.256 26.782 2.544 1.0 53.51 ? 542 A 1 +HETATM 6146 O O . HOH Q 12 414 ? -21.51 12.913 -40.833 1.0 37.73 ? 543 A 1 +HETATM 6147 O O . HOH Q 12 415 ? 11.126 28.822 -14.667 1.0 48.6 ? 544 A 1 +HETATM 6148 O O . HOH Q 12 416 ? -17.772 -2.993 -33.537 1.0 62.34 ? 545 A 1 +HETATM 6149 O O . HOH Q 12 417 ? 2.113 3.162 -5.742 1.0 51.65 ? 546 A 1 +HETATM 6150 O O . HOH Q 12 418 ? 0.693 12.372 0.245 1.0 35.31 ? 547 A 1 +HETATM 6151 O O . HOH Q 12 419 ? -18.51 1.467 -3.267 1.0 30.52 ? 548 A 1 +HETATM 6152 O O . HOH Q 12 420 ? -17.018 8.559 -40.349 1.0 28.83 ? 549 A 1 +HETATM 6153 O O . HOH Q 12 421 ? -0.182 17.076 -29.242 1.0 16.38 ? 550 A 1 +HETATM 6154 O O . HOH Q 12 422 ? 6.877 20.656 -32.458 1.0 39.93 ? 551 A 1 +HETATM 6155 O O . HOH Q 12 423 ? 3.03 15.199 -35.539 1.0 29.99 ? 552 A 1 +HETATM 6156 O O . HOH Q 12 424 ? -28.86 1.206 -21.715 1.0 26.9 ? 553 A 1 +HETATM 6157 O O . HOH Q 12 425 ? -9.241 9.834 3.728 1.0 25.41 ? 554 A 1 +HETATM 6158 O O . HOH Q 12 426 ? 13.514 18.197 -31.714 1.0 54.28 ? 555 A 1 +HETATM 6159 O O . HOH Q 12 427 ? -22.724 -2.7 -6.157 1.0 52.79 ? 556 A 1 +HETATM 6160 O O . HOH Q 12 428 ? -12.712 30.897 -33.308 1.0 34.61 ? 557 A 1 +HETATM 6161 O O . HOH Q 12 429 ? -6.255 -0.469 -31.81 1.0 21.66 ? 558 A 1 +HETATM 6162 O O . HOH Q 12 430 ? -11.128 10.607 -12.365 1.0 15.66 ? 559 A 1 +HETATM 6163 O O . HOH Q 12 431 ? -12.335 28.638 -4.301 1.0 56.55 ? 560 A 1 +HETATM 6164 O O . HOH Q 12 432 ? -29.615 30.734 -20.548 1.0 27.89 ? 561 A 1 +HETATM 6165 O O . HOH Q 12 433 ? -17.301 0.829 -21.328 1.0 39.78 ? 562 A 1 +HETATM 6166 O O . HOH Q 12 434 ? -12.795 16.926 -28.272 1.0 20.96 ? 563 A 1 +HETATM 6167 O O . HOH Q 12 435 ? -9.845 14.156 -41.102 1.0 28.62 ? 564 A 1 +HETATM 6168 O O . HOH Q 12 436 ? 0.752 1.438 -26.803 1.0 33.71 ? 565 A 1 +HETATM 6169 O O . HOH Q 12 437 ? 1.141 13.216 -6.111 1.0 16.78 ? 566 A 1 +HETATM 6170 O O . HOH Q 12 438 ? -16.987 24.327 -32.882 1.0 19.77 ? 567 A 1 +HETATM 6171 O O . HOH Q 12 439 ? -30.31 4.488 -11.682 1.0 36.66 ? 568 A 1 +HETATM 6172 O O . HOH Q 12 440 ? -26.742 37.552 -24.904 1.0 50.63 ? 569 A 1 +HETATM 6173 O O . HOH Q 12 441 ? -2.417 6.043 -31.888 1.0 18.29 ? 570 A 1 +HETATM 6174 O O . HOH Q 12 442 ? -23.553 17.835 -37.216 1.0 40.95 ? 571 A 1 +HETATM 6175 O O . HOH Q 12 443 ? -8.686 0.039 -27.591 1.0 24.52 ? 572 A 1 +HETATM 6176 O O . HOH Q 12 444 ? -7.797 3.391 -11.015 1.0 19.69 ? 573 A 1 +HETATM 6177 O O . HOH Q 12 445 ? 10.253 26.996 -22.16 1.0 54.81 ? 574 A 1 +HETATM 6178 O O . HOH Q 12 446 ? -21.472 17.411 -0.642 1.0 21.96 ? 575 A 1 +HETATM 6179 O O . HOH Q 12 447 ? -11.962 1.768 -3.357 1.0 41.6 ? 576 A 1 +HETATM 6180 O O . HOH Q 12 448 ? -24.868 -4.658 -14.546 1.0 44.85 ? 577 A 1 +HETATM 6181 O O . HOH Q 12 449 ? 26.05 19.386 -14.204 1.0 51.92 ? 578 A 1 +HETATM 6182 O O . HOH Q 12 450 ? -34.361 10.487 -20.191 1.0 21.21 ? 579 A 1 +HETATM 6183 O O . HOH Q 12 451 ? -16.476 11.722 -18.34 1.0 17.96 ? 580 A 1 +HETATM 6184 O O . HOH Q 12 452 ? -26.814 30.465 -9.422 1.0 26.1 ? 581 A 1 +HETATM 6185 O O . HOH Q 12 453 ? 0.067 26.345 -11.271 1.0 20.13 ? 582 A 1 +HETATM 6186 O O . HOH Q 12 454 ? 12.712 11.654 -28.585 1.0 40.25 ? 583 A 1 +HETATM 6187 O O . HOH Q 12 455 ? -9.223 25.826 -1.229 1.0 41.55 ? 584 A 1 +HETATM 6188 O O . HOH Q 12 456 ? -15.663 33.121 -27.991 1.0 48.41 ? 585 A 1 +HETATM 6189 O O . HOH Q 12 457 ? -7.832 31.258 -11.54 1.0 43.88 ? 586 A 1 +HETATM 6190 O O . HOH Q 12 458 ? -21.152 4.792 -9.353 1.0 36.32 ? 587 A 1 +HETATM 6191 O O . HOH Q 12 459 ? -29.187 10.623 0.352 1.0 31.03 ? 588 A 1 +HETATM 6192 O O . HOH Q 12 460 ? -1.003 3.755 -34.636 1.0 26.3 ? 589 A 1 +HETATM 6193 O O . HOH Q 12 461 ? -22.139 5.673 -12.441 1.0 31.43 ? 590 A 1 +HETATM 6194 O O . HOH Q 12 462 ? -13.384 19.307 -2.852 1.0 16.77 ? 591 A 1 +HETATM 6195 O O . HOH Q 12 463 ? -27.292 26.14 -30.276 1.0 38.7 ? 592 A 1 +HETATM 6196 O O . HOH Q 12 464 ? -15.977 19.745 -28.188 1.0 18.33 ? 593 A 1 +HETATM 6197 O O . HOH Q 12 465 ? 19.736 10.036 -22.273 1.0 65.24 ? 594 A 1 +HETATM 6198 O O . HOH Q 12 466 ? 26.343 12.134 -30.096 1.0 57.68 ? 595 A 1 +HETATM 6199 O O . HOH Q 12 467 ? -22.053 6.331 -40.313 1.0 36.31 ? 596 A 1 +HETATM 6200 O O . HOH Q 12 468 ? -0.839 25.488 -31.136 1.0 30.64 ? 597 A 1 +HETATM 6201 O O . HOH Q 12 469 ? -14.636 17.588 -34.81 1.0 19.3 ? 598 A 1 +HETATM 6202 O O . HOH Q 12 470 ? -32.304 6.511 -25.025 1.0 29.85 ? 599 A 1 +HETATM 6203 O O . HOH Q 12 471 ? -4.58 25.139 -5.949 1.0 17.49 ? 600 A 1 +HETATM 6204 O O . HOH Q 12 472 ? -15.146 30.748 -11.198 1.0 26.87 ? 601 A 1 +HETATM 6205 O O . HOH Q 12 473 ? -1.538 33.659 -15.155 1.0 58.65 ? 602 A 1 +HETATM 6206 O O . HOH Q 12 474 ? -17.973 -2.923 -18.582 1.0 69.52 ? 603 A 1 +HETATM 6207 O O . HOH Q 12 475 ? -32.419 8.709 -14.195 1.0 46.94 ? 604 A 1 +HETATM 6208 O O . HOH Q 12 476 ? -28.792 29.221 -8.03 1.0 24.15 ? 605 A 1 +HETATM 6209 O O . HOH Q 12 477 ? -3.21 25.173 -3.46 1.0 23.18 ? 606 A 1 +HETATM 6210 O O . HOH Q 12 478 ? -7.604 31.165 -15.243 1.0 54.73 ? 607 A 1 +HETATM 6211 O O . HOH Q 12 479 ? 7.045 16.165 -34.574 1.0 35.82 ? 608 A 1 +HETATM 6212 O O . HOH Q 12 480 ? -20.241 30.578 -9.228 1.0 37.21 ? 609 A 1 +HETATM 6213 O O . HOH Q 12 481 ? -20.442 31.912 -11.92 1.0 25.05 ? 610 A 1 +HETATM 6214 O O . HOH Q 12 482 ? -6.46 23.379 -36.316 1.0 17.84 ? 611 A 1 +HETATM 6215 O O . HOH Q 12 483 ? 1.342 8.83 -30.807 1.0 23.32 ? 612 A 1 +HETATM 6216 O O . HOH Q 12 484 ? -3.633 15.85 -2.853 1.0 17.86 ? 613 A 1 +HETATM 6217 O O . HOH Q 12 485 ? -3.689 33.216 -21.746 1.0 44.06 ? 614 A 1 +HETATM 6218 O O . HOH Q 12 486 ? 14.805 3.627 -24.971 1.0 53.15 ? 615 A 1 +HETATM 6219 O O . HOH Q 12 487 ? -31.949 12.507 -2.458 1.0 31.25 ? 616 A 1 +HETATM 6220 O O . HOH Q 12 488 ? -5.378 19.266 -3.422 1.0 17.1 ? 617 A 1 +HETATM 6221 O O . HOH Q 12 489 ? -8.136 24.302 -3.206 1.0 24.99 ? 618 A 1 +HETATM 6222 O O . HOH Q 12 490 ? -4.919 19.956 0.309 1.0 22.53 ? 619 A 1 +HETATM 6223 O O . HOH Q 12 491 ? -1.748 26.645 -13.316 1.0 23.41 ? 620 A 1 +HETATM 6224 O O . HOH Q 12 492 ? 0.903 21.902 1.34 1.0 28.97 ? 621 A 1 +HETATM 6225 O O . HOH Q 12 493 ? 5.606 18.376 -34.061 1.0 31.05 ? 622 A 1 +HETATM 6226 O O . HOH Q 12 494 ? -6.979 28.918 -16.427 1.0 41.11 ? 623 A 1 +HETATM 6227 O O . HOH Q 12 495 ? -18.365 36.907 -16.324 1.0 44.64 ? 624 A 1 +HETATM 6228 O O . HOH Q 12 496 ? -18.195 -1.15 -29.755 1.0 40.07 ? 625 A 1 +HETATM 6229 O O . HOH Q 12 497 ? -17.176 2.107 -23.368 1.0 34.92 ? 626 A 1 +HETATM 6230 O O . HOH Q 12 498 ? -8.252 0.935 -12.397 1.0 22.03 ? 627 A 1 +HETATM 6231 O O . HOH Q 12 499 ? -8.503 35.168 -21.734 1.0 25.55 ? 628 A 1 +HETATM 6232 O O . HOH Q 12 500 ? -2.242 12.676 -42.388 1.0 52.46 ? 629 A 1 +HETATM 6233 O O . HOH Q 12 501 ? -9.902 -0.228 -22.822 1.0 22.17 ? 630 A 1 +HETATM 6234 O O . HOH Q 12 502 ? -29.247 3.527 -8.201 1.0 31.81 ? 631 A 1 +HETATM 6235 O O . HOH Q 12 503 ? -32.086 22.862 -6.282 1.0 27.72 ? 632 A 1 +HETATM 6236 O O . HOH Q 12 504 ? -32.091 12.932 -5.277 1.0 29.53 ? 633 A 1 +HETATM 6237 O O . HOH Q 12 505 ? -17.133 16.883 -40.054 1.0 22.38 ? 634 A 1 +HETATM 6238 O O . HOH Q 12 506 ? -32.26 11.25 -11.032 1.0 26.68 ? 635 A 1 +HETATM 6239 O O . HOH Q 12 507 ? 15.019 6.819 -8.788 1.0 35.56 ? 636 A 1 +HETATM 6240 O O . HOH Q 12 508 ? -10.544 -0.933 -31.663 1.0 28.29 ? 637 A 1 +HETATM 6241 O O . HOH Q 12 509 ? -7.685 1.76 -4.21 1.0 45.41 ? 638 A 1 +HETATM 6242 O O . HOH Q 12 510 ? -13.602 3.326 -8.04 1.0 50.79 ? 639 A 1 +HETATM 6243 O O . HOH Q 12 511 ? -4.828 15.152 -15.64 1.0 14.27 ? 640 A 1 +HETATM 6244 O O . HOH Q 12 512 ? -28.05 33.039 -17.27 1.0 32.39 ? 641 A 1 +HETATM 6245 O O . HOH Q 12 513 ? -8.864 22.7 -0.28 1.0 40.91 ? 642 A 1 +HETATM 6246 O O . HOH Q 12 514 ? -5.71 9.248 5.254 1.0 38.34 ? 643 A 1 +HETATM 6247 O O . HOH Q 12 515 ? 9.687 24.796 -3.342 1.0 53.73 ? 644 A 1 +HETATM 6248 O O . HOH Q 12 516 ? -35.243 23.488 -18.137 1.0 44.9 ? 645 A 1 +HETATM 6249 O O . HOH Q 12 517 ? 2.192 10.063 -2.942 1.0 24.78 ? 646 A 1 +HETATM 6250 O O . HOH Q 12 518 ? 1.145 7.531 -34.973 1.0 37.64 ? 647 A 1 +HETATM 6251 O O . HOH Q 12 519 ? 0.496 1.527 -21.655 1.0 36.85 ? 648 A 1 +HETATM 6252 O O . HOH Q 12 520 ? -17.804 6.144 -36.523 1.0 20.08 ? 649 A 1 +HETATM 6253 O O . HOH Q 12 521 ? -16.357 9.074 -16.311 1.0 30.66 ? 650 A 1 +HETATM 6254 O O . HOH Q 12 522 ? -23.168 26.702 -4.626 1.0 21.69 ? 651 A 1 +HETATM 6255 O O . HOH Q 12 523 ? 13.345 13.218 -7.443 1.0 35.81 ? 652 A 1 +HETATM 6256 O O . HOH Q 12 524 ? -14.018 26.975 -7.123 1.0 26.23 ? 653 A 1 +HETATM 6257 O O . HOH Q 12 525 ? -6.34 23.173 -5.437 1.0 21.76 ? 654 A 1 +HETATM 6258 O O . HOH Q 12 526 ? 14.632 1.002 -16.969 1.0 28.18 ? 655 A 1 +HETATM 6259 O O . HOH Q 12 527 ? -13.254 -2.191 -35.389 1.0 37.62 ? 656 A 1 +HETATM 6260 O O . HOH Q 12 528 ? 1.036 19.486 -29.691 1.0 16.72 ? 657 A 1 +HETATM 6261 O O . HOH Q 12 529 ? -20.599 1.92 -10.056 1.0 40.11 ? 658 A 1 +HETATM 6262 O O . HOH Q 12 530 ? -9.17 1.404 -8.831 1.0 53.84 ? 659 A 1 +HETATM 6263 O O . HOH Q 12 531 ? -10.468 29.153 -6.468 1.0 30.38 ? 660 A 1 +HETATM 6264 O O . HOH Q 12 532 ? 4.266 6.633 0.492 1.0 61.51 ? 661 A 1 +HETATM 6265 O O . HOH Q 12 533 ? -9.545 10.755 -21.713 1.0 26.42 ? 662 A 1 +HETATM 6266 O O . HOH Q 12 534 ? -9.873 17.192 -41.315 1.0 27.72 ? 663 A 1 +HETATM 6267 O O . HOH Q 12 535 ? -11.505 9.538 2.085 1.0 26.38 ? 664 A 1 +HETATM 6268 O O . HOH Q 12 536 ? 0.74 30.266 -8.913 1.0 33.42 ? 665 A 1 +HETATM 6269 O O . HOH Q 12 537 ? -7.011 32.906 -9.025 1.0 56.44 ? 666 A 1 +HETATM 6270 O O . HOH Q 12 538 ? -15.99 20.424 -22.917 1.0 15.54 ? 667 A 1 +HETATM 6271 O O . HOH Q 12 539 ? 25.734 17.226 -20.381 1.0 60.23 ? 668 A 1 +HETATM 6272 O O . HOH Q 12 540 ? 0.911 5.162 -28.498 1.0 36.69 ? 669 A 1 +HETATM 6273 O O . HOH Q 12 541 ? -23.484 -0.343 -26.798 1.0 58.56 ? 670 A 1 +HETATM 6274 O O . HOH Q 12 542 ? 3.134 2.065 -20.374 1.0 21.34 ? 671 A 1 +HETATM 6275 O O . HOH Q 12 543 ? -10.789 5.844 -31.455 1.0 16.41 ? 672 A 1 +HETATM 6276 O O . HOH Q 12 544 ? -13.052 18.224 -22.779 1.0 15.54 ? 673 A 1 +HETATM 6277 O O . HOH Q 12 545 ? -14.773 18.967 -5.213 1.0 15.99 ? 674 A 1 +HETATM 6278 O O . HOH Q 12 546 ? -18.701 33.421 -29.805 1.0 36.43 ? 675 A 1 +HETATM 6279 O O . HOH Q 12 547 ? 5.884 25.231 -28.131 1.0 47.66 ? 676 A 1 +HETATM 6280 O O . HOH Q 12 548 ? -15.871 28.936 -7.432 1.0 29.6 ? 677 A 1 +HETATM 6281 O O . HOH Q 12 549 ? -16.338 5.019 1.47 1.0 37.39 ? 678 A 1 +HETATM 6282 O O . HOH Q 12 550 ? -0.612 6.078 -37.417 1.0 49.99 ? 679 A 1 +HETATM 6283 O O . HOH Q 12 551 ? -34.747 22.701 -25.676 1.0 37.99 ? 680 A 1 +HETATM 6284 O O . HOH Q 12 552 ? -7.814 2.49 -37.55 1.0 26.85 ? 681 A 1 +HETATM 6285 O O . HOH Q 12 553 ? 5.368 28.02 -22.349 1.0 29.29 ? 682 A 1 +HETATM 6286 O O . HOH Q 12 554 ? -30.178 7.866 -8.675 1.0 26.35 ? 683 A 1 +HETATM 6287 O O . HOH Q 12 555 ? -5.06 31.275 -14.721 1.0 39.37 ? 684 A 1 +HETATM 6288 O O . HOH Q 12 556 ? 0.775 17.058 1.601 1.0 34.29 ? 685 A 1 +HETATM 6289 O O . HOH Q 12 557 ? -25.509 9.939 -34.44 1.0 30.14 ? 686 A 1 +HETATM 6290 O O . HOH Q 12 558 ? -31.898 24.591 -26.855 1.0 28.58 ? 687 A 1 +HETATM 6291 O O . HOH Q 12 559 ? 18.506 23.044 -22.294 1.0 49.45 ? 688 A 1 +HETATM 6292 O O . HOH Q 12 560 ? -32.53 5.962 -14.513 1.0 35.63 ? 689 A 1 +HETATM 6293 O O . HOH Q 12 561 ? -20.143 8.587 0.362 1.0 39.53 ? 690 A 1 +HETATM 6294 O O . HOH Q 12 562 ? 25.284 6.462 -12.432 1.0 50.85 ? 691 A 1 +HETATM 6295 O O . HOH Q 12 563 ? 1.938 1.226 -24.754 1.0 50.75 ? 692 A 1 +HETATM 6296 O O . HOH Q 12 564 ? -1.141 32.938 -18.717 1.0 42.62 ? 693 A 1 +HETATM 6297 O O . HOH Q 12 565 ? -19.795 -0.664 -11.393 1.0 48.2 ? 694 A 1 +HETATM 6298 O O . HOH Q 12 566 ? 24.414 12.678 -25.466 1.0 43.99 ? 695 A 1 +HETATM 6299 O O . HOH Q 12 567 ? -21.596 -8.099 -10.207 1.0 42.07 ? 696 A 1 +HETATM 6300 O O . HOH Q 12 568 ? -19.904 21.542 -34.874 1.0 26.79 ? 697 A 1 +HETATM 6301 O O . HOH Q 12 569 ? -20.143 0.344 -21.809 1.0 29.31 ? 698 A 1 +HETATM 6302 O O . HOH Q 12 570 ? 2.966 25.149 -27.523 1.0 28.52 ? 699 A 1 +HETATM 6303 O O . HOH Q 12 571 ? -1.013 15.665 -38.748 1.0 53.53 ? 700 A 1 +HETATM 6304 O O B HOH Q 12 572 ? -12.068 26.462 -3.019 1.0 26.67 ? 701 A 1 +HETATM 6305 O O . HOH Q 12 573 ? 7.672 12.617 -3.223 1.0 26.42 ? 702 A 1 +HETATM 6306 O O . HOH Q 12 574 ? -9.627 20.239 -43.323 1.0 42.32 ? 703 A 1 +HETATM 6307 O O . HOH Q 12 575 ? 10.638 22.14 -9.993 1.0 31.74 ? 704 A 1 +HETATM 6308 O O . HOH Q 12 576 ? -5.343 32.149 -4.426 1.0 46.74 ? 705 A 1 +HETATM 6309 O O . HOH Q 12 577 ? 4.302 8.834 -2.263 1.0 52.75 ? 706 A 1 +HETATM 6310 O O . HOH Q 12 578 ? -29.736 24.583 -30.018 1.0 37.65 ? 707 A 1 +HETATM 6311 O O . HOH Q 12 579 ? -22.072 34.809 -28.756 1.0 28.03 ? 708 A 1 +HETATM 6312 O O . HOH Q 12 580 ? -14.858 10.348 -40.557 1.0 28.45 ? 709 A 1 +HETATM 6313 O O . HOH Q 12 581 ? -36.551 22.234 -24.06 1.0 52.21 ? 710 A 1 +HETATM 6314 O O . HOH Q 12 582 ? -7.352 0.018 -22.114 1.0 25.32 ? 711 A 1 +HETATM 6315 O O . HOH Q 12 583 ? -4.642 11.652 -15.306 1.0 13.41 ? 712 A 1 +HETATM 6316 O O . HOH Q 12 584 ? -0.36 9.713 -1.704 1.0 25.43 ? 713 A 1 +HETATM 6317 O O . HOH Q 12 585 ? -0.269 32.452 -9.823 1.0 48.54 ? 714 A 1 +HETATM 6318 O O . HOH Q 12 586 ? 28.466 7.388 -27.828 1.0 46.89 ? 715 A 1 +HETATM 6319 O O B HOH Q 12 587 ? -14.398 26.31 -1.395 0.6 20.49 ? 716 A 1 +HETATM 6320 O O . HOH Q 12 588 ? 22.433 10.661 -23.068 1.0 47.35 ? 717 A 1 +HETATM 6321 O O . HOH Q 12 589 ? -31.178 27.866 -28.289 1.0 46.68 ? 718 A 1 +HETATM 6322 O O . HOH Q 12 590 ? 15.642 23.879 -26.165 1.0 36.5 ? 719 A 1 +HETATM 6323 O O . HOH Q 12 591 ? -35.829 8.124 -14.759 1.0 47.12 ? 720 A 1 +HETATM 6324 O O . HOH Q 12 592 ? -25.519 0.822 -27.765 1.0 29.38 ? 721 A 1 +HETATM 6325 O O . HOH Q 12 593 ? -30.003 5.827 -30.667 1.0 31.31 ? 722 A 1 +HETATM 6326 O O . HOH Q 12 594 ? -16.55 5.782 -16.288 1.0 21.93 ? 723 A 1 +HETATM 6327 O O . HOH Q 12 595 ? -1.954 -0.542 -29.046 1.0 27.84 ? 724 A 1 +HETATM 6328 O O . HOH Q 12 596 ? -19.328 4.495 -11.932 1.0 56.59 ? 725 A 1 +HETATM 6329 O O . HOH Q 12 597 ? 16.408 5.965 -22.586 1.0 30.76 ? 726 A 1 +HETATM 6330 O O . HOH Q 12 598 ? -27.081 0.612 -11.051 1.0 27.59 ? 727 A 1 +HETATM 6331 O O . HOH Q 12 599 ? -13.814 16.643 -2.356 1.0 22.88 ? 728 A 1 +HETATM 6332 O O . HOH Q 12 600 ? -7.258 27.603 -37.934 1.0 30.23 ? 729 A 1 +HETATM 6333 O O . HOH Q 12 601 ? -6.887 22.102 -1.669 1.0 43.84 ? 730 A 1 +HETATM 6334 O O . HOH Q 12 602 ? -29.266 -1.051 -17.918 1.0 28.59 ? 731 A 1 +HETATM 6335 O O . HOH Q 12 603 ? -19.944 21.837 -0.611 1.0 31.92 ? 732 A 1 +HETATM 6336 O O . HOH Q 12 604 ? -12.553 18.551 -42.22 1.0 37.19 ? 733 A 1 +HETATM 6337 O O . HOH Q 12 605 ? -21.84 3.151 -37.694 1.0 31.83 ? 734 A 1 +HETATM 6338 O O . HOH Q 12 606 ? -33.586 26.757 -12.382 1.0 34.68 ? 735 A 1 +HETATM 6339 O O . HOH Q 12 607 ? -6.125 26.117 -35.9 1.0 20.37 ? 736 A 1 +HETATM 6340 O O . HOH Q 12 608 ? 24.541 5.329 -21.294 1.0 38.72 ? 737 A 1 +HETATM 6341 O O . HOH Q 12 609 ? -11.297 39.238 -17.751 1.0 52.71 ? 738 A 1 +HETATM 6342 O O . HOH Q 12 610 ? -17.114 28.14 -30.833 1.0 38.4 ? 739 A 1 +HETATM 6343 O O . HOH Q 12 611 ? -12.111 32.325 -11.202 1.0 53.93 ? 740 A 1 +HETATM 6344 O O . HOH Q 12 612 ? 7.141 1.924 -16.591 1.0 36.16 ? 741 A 1 +HETATM 6345 O O . HOH Q 12 613 ? -4.745 19.673 -41.065 1.0 24.2 ? 742 A 1 +HETATM 6346 O O . HOH Q 12 614 ? -20.896 30.256 -6.034 1.0 29.16 ? 743 A 1 +HETATM 6347 O O . HOH Q 12 615 ? -23.132 3.181 -2.552 1.0 47.02 ? 744 A 1 +HETATM 6348 O O . HOH Q 12 616 ? 1.803 6.783 -26.46 1.0 21.95 ? 745 A 1 +HETATM 6349 O O . HOH Q 12 617 ? -16.562 30.805 -27.879 1.0 39.08 ? 746 A 1 +HETATM 6350 O O . HOH Q 12 618 ? 9.469 3.865 -12.653 1.0 32.45 ? 747 A 1 +HETATM 6351 O O . HOH Q 12 619 ? 3.498 27.591 -25.876 1.0 37.66 ? 748 A 1 +HETATM 6352 O O . HOH Q 12 620 ? -32.191 26.488 -24.797 1.0 32.65 ? 749 A 1 +HETATM 6353 O O . HOH Q 12 621 ? -8.568 33.914 -33.661 1.0 50.92 ? 750 A 1 +HETATM 6354 O O . HOH Q 12 622 ? 3.362 9.156 -34.154 1.0 51.36 ? 751 A 1 +HETATM 6355 O O . HOH Q 12 623 ? 8.232 10.79 -31.156 1.0 34.75 ? 752 A 1 +HETATM 6356 O O . HOH Q 12 624 ? -16.54 14.36 -40.701 1.0 21.37 ? 753 A 1 +HETATM 6357 O O . HOH Q 12 625 ? -14.842 1.053 -37.385 1.0 48.31 ? 754 A 1 +HETATM 6358 O O . HOH Q 12 626 ? 2.395 11.104 3.379 1.0 35.26 ? 755 A 1 +HETATM 6359 O O . HOH Q 12 627 ? -29.836 30.194 -28.736 1.0 50.7 ? 756 A 1 +HETATM 6360 O O . HOH Q 12 628 ? 2.36 17.1 -37.476 1.0 38.4 ? 757 A 1 +HETATM 6361 O O . HOH Q 12 629 ? 16.141 16.724 -26.109 1.0 31.49 ? 758 A 1 +HETATM 6362 O O . HOH Q 12 630 ? -16.429 0.173 -7.169 1.0 55.3 ? 759 A 1 +HETATM 6363 O O . HOH Q 12 631 ? -34.169 5.82 -16.821 1.0 56.98 ? 760 A 1 +HETATM 6364 O O . HOH Q 12 632 ? -16.484 24.722 -35.544 1.0 40.79 ? 761 A 1 +HETATM 6365 O O . HOH Q 12 633 ? 9.732 5.816 -20.112 1.0 42.57 ? 762 A 1 +HETATM 6366 O O . HOH Q 12 634 ? -7.438 10.582 -22.143 1.0 24.6 ? 763 A 1 +HETATM 6367 O O . HOH Q 12 635 ? -19.074 36.279 -13.295 1.0 42.16 ? 764 A 1 +HETATM 6368 O O . HOH Q 12 636 ? 8.917 3.686 -15.427 1.0 30.05 ? 765 A 1 +HETATM 6369 O O . HOH Q 12 637 ? -15.076 -2.736 -27.357 1.0 43.42 ? 766 A 1 +HETATM 6370 O O . HOH Q 12 638 ? 9.471 13.967 -31.689 1.0 27.79 ? 767 A 1 +HETATM 6371 O O . HOH Q 12 639 ? -18.846 26.043 -31.775 1.0 47.28 ? 768 A 1 +HETATM 6372 O O . HOH Q 12 640 ? -23.468 34.307 -11.183 1.0 51.35 ? 769 A 1 +HETATM 6373 O O . HOH Q 12 641 ? -15.363 34.28 -11.231 1.0 59.62 ? 770 A 1 +HETATM 6374 O O A HOH Q 12 642 ? 8.484 25.589 -27.922 0.52 41.93 ? 771 A 1 +HETATM 6375 O O B HOH Q 12 642 ? 8.526 20.471 -29.446 0.48 21.2 ? 771 A 1 +HETATM 6376 O O . HOH Q 12 643 ? -11.408 34.62 -27.299 1.0 64.24 ? 772 A 1 +HETATM 6377 O O . HOH Q 12 644 ? -0.849 9.681 5.724 1.0 56.55 ? 773 A 1 +HETATM 6378 O O . HOH Q 12 645 ? -32.992 9.039 -23.74 1.0 22.71 ? 774 A 1 +HETATM 6379 O O . HOH Q 12 646 ? 21.938 20.103 -14.807 1.0 45.39 ? 775 A 1 +HETATM 6380 O O . HOH Q 12 647 ? -24.989 36.295 -22.935 1.0 43.64 ? 776 A 1 +HETATM 6381 O O . HOH Q 12 648 ? -17.497 31.807 -10.15 1.0 42.58 ? 777 A 1 +HETATM 6382 O O . HOH Q 12 649 ? -6.039 33.991 -21.055 1.0 51.79 ? 778 A 1 +HETATM 6383 O O . HOH Q 12 650 ? -5.722 3.353 -2.72 1.0 31.55 ? 779 A 1 +HETATM 6384 O O . HOH Q 12 651 ? -20.602 3.353 -13.238 1.0 49.37 ? 780 A 1 +HETATM 6385 O O . HOH Q 12 652 ? 30.795 10.225 -34.368 1.0 50.36 ? 781 A 1 +HETATM 6386 O O . HOH Q 12 653 ? -4.095 16.048 6.473 1.0 46.34 ? 782 A 1 +HETATM 6387 O O . HOH Q 12 654 ? -10.643 19.894 -11.024 1.0 29.1 ? 783 A 1 +HETATM 6388 O O . HOH Q 12 655 ? -20.098 17.061 1.818 1.0 45.9 ? 784 A 1 +HETATM 6389 O O . HOH Q 12 656 ? -22.399 26.672 -31.71 1.0 40.21 ? 785 A 1 +HETATM 6390 O O . HOH Q 12 657 ? -12.292 1.451 -38.498 1.0 58.52 ? 786 A 1 +HETATM 6391 O O . HOH Q 12 658 ? -15.241 26.503 -37.757 1.0 67.68 ? 787 A 1 +HETATM 6392 O O . HOH Q 12 659 ? 11.624 22.377 -7.447 1.0 52.63 ? 788 A 1 +HETATM 6393 O O . HOH Q 12 660 ? -14.908 15.483 -0.198 1.0 48.52 ? 789 A 1 +HETATM 6394 O O . HOH Q 12 661 ? 2.648 8.886 1.622 1.0 46.3 ? 790 A 1 +HETATM 6395 O O . HOH Q 12 662 ? -35.723 18.44 -10.041 1.0 49.75 ? 791 A 1 +HETATM 6396 O O . HOH Q 12 663 ? -25.079 11.193 3.911 1.0 53.09 ? 792 A 1 +HETATM 6397 O O . HOH Q 12 664 ? -21.119 20.047 -36.478 1.0 52.6 ? 793 A 1 +HETATM 6398 O O . HOH Q 12 665 ? -21.435 36.339 -17.224 1.0 55.11 ? 794 A 1 +HETATM 6399 O O . HOH Q 12 666 ? -19.866 2.36 -36.36 1.0 53.59 ? 795 A 1 +HETATM 6400 O O . HOH Q 12 667 ? 4.301 1.232 -6.716 1.0 49.92 ? 796 A 1 +HETATM 6401 O O . HOH Q 12 668 ? -8.848 -1.103 -25.169 1.0 27.86 ? 797 A 1 +HETATM 6402 O O . HOH Q 12 669 ? -15.414 4.231 -38.292 1.0 31.0 ? 798 A 1 +HETATM 6403 O O . HOH Q 12 670 ? -31.933 31.636 -25.88 1.0 54.68 ? 799 A 1 +HETATM 6404 O O . HOH Q 12 671 ? -30.505 36.42 -25.28 1.0 51.92 ? 800 A 1 +HETATM 6405 O O . HOH Q 12 672 ? 16.456 16.46 -4.947 1.0 55.81 ? 801 A 1 +HETATM 6406 O O . HOH Q 12 673 ? 14.058 8.305 -6.897 1.0 47.2 ? 802 A 1 +HETATM 6407 O O . HOH Q 12 674 ? -18.658 4.93 -38.731 1.0 53.99 ? 803 A 1 +HETATM 6408 O O . HOH Q 12 675 ? -1.803 22.962 0.366 1.0 39.78 ? 804 A 1 +HETATM 6409 O O . HOH Q 12 676 ? -3.219 9.682 6.721 1.0 43.41 ? 805 A 1 +HETATM 6410 O O . HOH Q 12 677 ? 19.131 17.233 -8.494 1.0 50.21 ? 806 A 1 +HETATM 6411 O O . HOH Q 12 678 ? -34.006 8.014 -21.692 1.0 48.75 ? 807 A 1 +HETATM 6412 O O . HOH Q 12 679 ? -25.537 11.937 -32.44 1.0 31.55 ? 808 A 1 +HETATM 6413 O O A HOH Q 12 680 ? -22.717 0.234 -29.247 0.57 33.94 ? 809 A 1 +HETATM 6414 O O . HOH Q 12 681 ? -16.47 1.316 -1.46 1.0 38.28 ? 810 A 1 +HETATM 6415 O O . HOH Q 12 682 ? 19.952 17.855 -6.85 1.0 52.31 ? 811 A 1 +HETATM 6416 O O . HOH Q 12 683 ? -16.056 38.993 -16.776 1.0 60.38 ? 812 A 1 +HETATM 6417 O O . HOH Q 12 684 ? -26.578 -2.141 -11.565 1.0 49.99 ? 813 A 1 +HETATM 6418 O O . HOH Q 12 685 ? -31.202 10.34 -8.68 1.0 31.49 ? 814 A 1 +HETATM 6419 O O . HOH Q 12 686 ? -16.272 -0.431 -27.783 1.0 37.22 ? 815 A 1 +HETATM 6420 O O . HOH Q 12 687 ? -17.925 2.161 -8.841 1.0 45.77 ? 816 A 1 +HETATM 6421 O O . HOH Q 12 688 ? -25.948 36.669 -20.286 1.0 54.16 ? 817 A 1 +HETATM 6422 O O . HOH Q 12 689 ? 7.411 2.005 -20.182 1.0 62.22 ? 818 A 1 +HETATM 6423 O O . HOH Q 12 690 ? -24.54 13.44 -40.024 1.0 49.41 ? 819 A 1 +HETATM 6424 O O . HOH Q 12 691 ? 19.011 2.307 -19.71 1.0 72.26 ? 820 A 1 +HETATM 6425 O O . HOH Q 12 692 ? -8.438 36.408 -19.361 1.0 44.71 ? 821 A 1 +HETATM 6426 O O . HOH Q 12 693 ? 2.756 9.244 -28.131 1.0 41.72 ? 822 A 1 +HETATM 6427 O O . HOH Q 12 694 ? 7.877 6.549 -21.305 1.0 55.18 ? 823 A 1 +HETATM 6428 O O . HOH Q 12 695 ? -21.812 36.651 -14.681 1.0 54.51 ? 824 A 1 +HETATM 6429 O O . HOH Q 12 696 ? -35.13 20.333 -12.863 1.0 55.14 ? 825 A 1 +HETATM 6430 O O . HOH Q 12 697 ? 7.932 14.244 -1.045 1.0 28.61 ? 826 A 1 +HETATM 6431 O O . HOH Q 12 698 ? -10.33 -1.791 -29.122 1.0 32.9 ? 827 A 1 +HETATM 6432 O O . HOH Q 12 699 ? -24.95 27.485 -31.687 1.0 47.37 ? 828 A 1 +HETATM 6433 O O . HOH Q 12 700 ? -27.741 29.565 -5.431 1.0 36.51 ? 829 A 1 +HETATM 6434 O O . HOH Q 12 701 ? -30.309 -0.897 -20.418 1.0 32.22 ? 830 A 1 +HETATM 6435 O O . HOH Q 12 702 ? 15.366 13.07 -32.134 1.0 68.45 ? 831 A 1 +HETATM 6436 O O . HOH Q 12 703 ? -4.177 30.082 -35.841 1.0 52.9 ? 832 A 1 +HETATM 6437 O O . HOH Q 12 704 ? -0.527 18.623 3.659 1.0 29.16 ? 833 A 1 +HETATM 6438 O O . HOH Q 12 705 ? 15.538 22.388 -28.423 1.0 32.17 ? 834 A 1 +HETATM 6439 O O . HOH Q 12 706 ? -25.057 30.021 -5.334 1.0 47.27 ? 835 A 1 +HETATM 6440 O O . HOH Q 12 707 ? 16.691 16.851 -30.577 1.0 51.64 ? 836 A 1 +HETATM 6441 O O . HOH Q 12 708 ? 2.184 0.953 -6.819 1.0 57.87 ? 837 A 1 +HETATM 6442 O O . HOH Q 12 709 ? -27.675 35.633 -18.166 1.0 51.21 ? 838 A 1 +HETATM 6443 O O . HOH Q 12 710 ? -34.071 22.607 -14.072 1.0 41.83 ? 839 A 1 +HETATM 6444 O O . HOH Q 12 711 ? 17.937 24.75 -24.737 1.0 54.26 ? 840 A 1 +HETATM 6445 O O . HOH Q 12 712 ? -32.856 31.238 -18.108 1.0 58.67 ? 841 A 1 +HETATM 6446 O O . HOH Q 12 713 ? 1.89 28.301 -11.363 1.0 48.85 ? 842 A 1 +HETATM 6447 O O . HOH Q 12 714 ? 1.084 33.123 -17.006 1.0 55.94 ? 843 A 1 +HETATM 6448 O O . HOH Q 12 715 ? -18.263 22.818 1.164 1.0 44.17 ? 844 A 1 +HETATM 6449 O O . HOH Q 12 716 ? 18.347 4.056 -21.334 1.0 50.61 ? 845 A 1 +HETATM 6450 O O . HOH Q 12 717 ? 14.028 20.031 -28.61 1.0 36.93 ? 846 A 1 +HETATM 6451 O O . HOH Q 12 718 ? -4.021 27.53 -34.93 1.0 28.71 ? 847 A 1 +HETATM 6452 O O . HOH Q 12 719 ? 5.258 30.349 -20.742 1.0 53.33 ? 848 A 1 +HETATM 6453 O O . HOH Q 12 720 ? 12.749 14.782 -5.299 1.0 51.05 ? 849 A 1 +HETATM 6454 O O . HOH Q 12 721 ? -32.682 10.538 -6.315 1.0 43.62 ? 850 A 1 +HETATM 6455 O O . HOH Q 12 722 ? -2.997 32.947 -27.01 1.0 49.82 ? 851 A 1 +HETATM 6456 O O . HOH Q 12 723 ? -8.608 36.821 -23.965 1.0 49.52 ? 852 A 1 +HETATM 6457 O O . HOH Q 12 724 ? -31.275 9.384 -12.3 1.0 36.9 ? 853 A 1 +HETATM 6458 O O . HOH Q 12 725 ? -9.224 24.878 -40.14 1.0 49.04 ? 854 A 1 +HETATM 6459 O O . HOH Q 12 726 ? -29.556 0.808 -9.907 1.0 45.18 ? 855 A 1 +HETATM 6460 O O . HOH Q 12 727 ? -2.859 11.429 -40.795 1.0 63.98 ? 856 A 1 +HETATM 6461 O O . HOH Q 12 728 ? 5.396 28.834 -25.135 1.0 50.13 ? 857 A 1 +HETATM 6462 O O . HOH Q 12 729 ? -30.014 32.803 -19.098 1.0 42.39 ? 858 A 1 +HETATM 6463 O O . HOH Q 12 730 ? -14.526 12.801 -41.362 1.0 40.05 ? 859 A 1 +HETATM 6464 O O . HOH Q 12 731 ? 1.665 6.031 -30.943 1.0 28.39 ? 860 A 1 +HETATM 6465 O O . HOH Q 12 732 ? 28.197 3.694 -17.794 1.0 51.65 ? 861 A 1 +HETATM 6466 O O . HOH Q 12 733 ? -0.043 5.768 -33.161 1.0 26.93 ? 862 A 1 +HETATM 6467 O O . HOH Q 12 734 ? -18.829 29.555 2.369 1.0 71.75 ? 863 A 1 +HETATM 6468 O O . HOH Q 12 735 ? -11.318 -3.082 -33.279 1.0 44.13 ? 864 A 1 +HETATM 6469 O O . HOH Q 12 736 ? 26.081 2.239 -15.771 1.0 53.81 ? 865 A 1 +HETATM 6470 O O . HOH Q 12 737 ? 18.362 6.197 -20.09 1.0 51.22 ? 866 A 1 +HETATM 6471 O O . HOH Q 12 738 ? -27.299 7.886 -34.247 1.0 49.84 ? 867 A 1 +HETATM 6472 O O . HOH Q 12 739 ? -30.613 6.014 -6.798 1.0 46.31 ? 868 A 1 +HETATM 6473 O O . HOH Q 12 740 ? -31.168 2.349 -22.542 1.0 46.5 ? 869 A 1 +HETATM 6474 O O . HOH Q 12 741 ? -14.08 4.4 -40.735 1.0 57.2 ? 870 A 1 +HETATM 6475 O O . HOH Q 12 742 ? 15.425 12.844 -28.873 1.0 54.6 ? 871 A 1 +HETATM 6476 O O . HOH Q 12 743 ? -7.058 23.981 -39.157 1.0 24.7 ? 872 A 1 +HETATM 6477 O O B HOH Q 12 744 ? -17.781 28.426 -0.941 0.54 49.47 ? 873 A 1 +HETATM 6478 O O . HOH Q 12 745 ? 11.141 11.962 -30.834 1.0 46.58 ? 874 A 1 +HETATM 6479 O O . HOH Q 12 746 ? -31.399 6.727 -10.907 1.0 37.13 ? 875 A 1 +HETATM 6480 O O . HOH Q 12 747 ? -30.732 -0.502 -15.819 1.0 41.52 ? 876 A 1 +HETATM 6481 O O . HOH Q 12 748 ? -3.534 21.81 2.159 1.0 40.49 ? 877 A 1 +HETATM 6482 O O . HOH Q 12 749 ? -5.223 22.449 -40.989 1.0 33.98 ? 878 A 1 +HETATM 6483 O O . HOH Q 12 750 ? 4.872 8.516 -28.777 1.0 48.26 ? 879 A 1 +HETATM 6484 O O . HOH Q 12 751 ? -22.87 28.752 -2.969 1.0 45.24 ? 880 A 1 +HETATM 6485 O O . HOH Q 12 752 ? -6.573 -0.82 -28.902 1.0 35.96 ? 881 A 1 +HETATM 6486 O O . HOH Q 12 753 ? 23.582 2.792 -20.112 1.0 44.6 ? 882 A 1 +HETATM 6487 O O . HOH Q 12 754 ? -1.666 25.768 0.527 1.0 32.72 ? 883 A 1 +HETATM 6488 O O . HOH Q 12 755 ? -31.082 30.833 -8.497 1.0 42.34 ? 884 A 1 +HETATM 6489 O O . HOH Q 12 756 ? -30.972 8.78 -0.181 1.0 40.67 ? 885 A 1 +HETATM 6490 O O . HOH Q 12 757 ? -34.655 25.537 -24.223 1.0 47.63 ? 886 A 1 +HETATM 6491 O O . HOH Q 12 758 ? -24.579 30.814 -7.997 1.0 35.22 ? 887 A 1 +HETATM 6492 O O . HOH Q 12 759 ? -0.313 2.819 -2.717 1.0 49.36 ? 888 A 1 +HETATM 6493 O O . HOH Q 12 760 ? -36.546 22.245 -20.361 1.0 50.02 ? 889 A 1 +HETATM 6494 O O . HOH Q 12 761 ? -32.6 9.726 -1.926 1.0 51.63 ? 890 A 1 +HETATM 6495 O O . HOH Q 12 762 ? 11.646 12.473 -2.84 1.0 57.13 ? 891 A 1 +HETATM 6496 O O . HOH Q 12 763 ? -21.176 1.393 -2.172 1.0 52.97 ? 892 A 1 +HETATM 6497 O O . HOH Q 12 764 ? -13.414 9.661 3.866 1.0 42.8 ? 893 A 1 +HETATM 6498 O O . HOH Q 12 765 ? 17.617 14.615 -7.543 1.0 54.26 ? 894 A 1 +HETATM 6499 O O . HOH Q 12 766 ? -12.31 9.325 -41.2 1.0 38.7 ? 895 A 1 +HETATM 6500 O O . HOH Q 12 767 ? -20.916 -1.964 -20.156 1.0 45.22 ? 896 A 1 +HETATM 6501 O O . HOH Q 12 768 ? -3.859 26.451 -1.109 1.0 31.48 ? 897 A 1 +HETATM 6502 O O . HOH Q 12 769 ? -20.234 -9.522 -8.763 1.0 55.88 ? 898 A 1 +HETATM 6503 O O . HOH Q 12 770 ? 27.184 4.947 -21.047 1.0 57.56 ? 899 A 1 +HETATM 6504 O O . HOH Q 12 771 ? -24.919 3.378 -0.626 1.0 67.49 ? 900 A 1 +HETATM 6505 O O . HOH Q 12 772 ? -18.554 6.822 1.79 1.0 54.22 ? 901 A 1 +HETATM 6506 O O . HOH Q 12 773 ? 5.632 18.333 -36.858 1.0 32.87 ? 902 A 1 +HETATM 6507 O O . HOH Q 12 774 ? 0.616 26.23 -28.68 1.0 36.78 ? 903 A 1 +HETATM 6508 O O . HOH Q 12 775 ? -24.363 28.417 -1.086 1.0 49.21 ? 904 A 1 +HETATM 6509 O O . HOH Q 12 776 ? -28.739 5.849 -3.053 1.0 53.43 ? 905 A 1 +HETATM 6510 O O . HOH Q 12 777 ? 16.37 18.206 -28.365 1.0 32.48 ? 906 A 1 +HETATM 6511 O O . HOH Q 12 778 ? 3.745 3.978 -27.489 1.0 53.14 ? 907 A 1 +HETATM 6512 O O . HOH Q 12 779 ? 5.597 14.978 -37.098 1.0 44.7 ? 908 A 1 +HETATM 6513 O O A HOH Q 12 780 ? -10.66 18.363 -12.968 0.86 32.08 ? 909 A 1 +HETATM 6514 O O . HOH Q 12 781 ? -4.864 31.064 -1.226 1.0 52.02 ? 910 A 1 +HETATM 6515 O O . HOH Q 12 782 ? -15.942 35.27 -29.896 1.0 52.51 ? 911 A 1 +HETATM 6516 O O . HOH Q 12 783 ? -25.337 8.073 1.7 1.0 55.07 ? 912 A 1 +HETATM 6517 O O . HOH Q 12 784 ? -27.466 -0.463 -26.185 1.0 45.25 ? 913 A 1 +HETATM 6518 O O . HOH Q 12 785 ? -21.658 29.154 -0.629 1.0 78.1 ? 914 A 1 +HETATM 6519 O O . HOH Q 12 786 ? -1.818 27.126 -33.21 1.0 41.78 ? 915 A 1 +HETATM 6520 O O . HOH Q 12 787 ? -12.125 13.194 -42.014 1.0 39.55 ? 916 A 1 +HETATM 6521 O O . HOH Q 12 788 ? -16.856 -3.918 -30.732 1.0 55.34 ? 917 A 1 +HETATM 6522 O O . HOH Q 12 789 ? -11.71 26.012 -44.308 1.0 56.23 ? 918 A 1 +HETATM 6523 O O . HOH Q 12 790 ? -12.523 -3.037 -28.072 1.0 54.13 ? 919 A 1 +HETATM 6524 O O . HOH Q 12 791 ? -4.231 -2.521 -28.883 1.0 56.89 ? 920 A 1 +HETATM 6525 O O . HOH Q 12 792 ? -31.746 4.92 -22.512 1.0 47.8 ? 921 A 1 +HETATM 6526 O O . HOH Q 12 793 ? -30.005 35.872 -20.346 1.0 57.0 ? 922 A 1 +HETATM 6527 O O . HOH Q 12 794 ? -8.355 -3.836 -29.781 1.0 51.58 ? 923 A 1 +HETATM 6528 O O . HOH Q 12 795 ? -0.834 0.489 -6.205 1.0 54.17 ? 924 A 1 +HETATM 6529 O O . HOH Q 12 796 ? -4.398 28.91 -0.263 1.0 43.73 ? 925 A 1 +HETATM 6530 O O . HOH Q 12 797 ? -2.523 29.748 -31.82 1.0 44.4 ? 926 A 1 +HETATM 6531 O O . HOH Q 12 798 ? 12.068 11.646 0.601 1.0 65.71 ? 927 A 1 +HETATM 6532 O O . HOH Q 12 799 ? -11.446 12.037 -44.424 1.0 56.24 ? 928 A 1 +HETATM 6533 O O . HOH Q 12 800 ? 18.981 13.053 -6.917 1.0 54.14 ? 929 A 1 +HETATM 6534 O O . HOH Q 12 801 ? -32.518 8.24 -4.408 1.0 51.72 ? 930 A 1 +HETATM 6535 O O . HOH Q 12 802 ? -30.193 -1.93 -8.743 1.0 61.15 ? 931 A 1 +HETATM 6536 O O . HOH Q 12 803 ? -8.626 25.044 -47.258 1.0 55.02 ? 932 A 1 +HETATM 6537 O O . HOH Q 12 804 ? -5.403 25.976 -42.947 1.0 57.15 ? 933 A 1 # loop_ _chem_comp.id @@ -8303,481 +7868,481 @@ _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal -ALA N N N N 1 -ALA CA C N S 2 -ALA C C N N 3 -ALA O O N N 4 -ALA CB C N N 5 -ALA OXT O N N 6 -ALA H H N N 7 -ALA H2 H N N 8 -ALA HA H N N 9 -ALA HB1 H N N 10 -ALA HB2 H N N 11 -ALA HB3 H N N 12 -ALA HXT H N N 13 -ARG N N N N 14 -ARG CA C N S 15 -ARG C C N N 16 -ARG O O N N 17 -ARG CB C N N 18 -ARG CG C N N 19 -ARG CD C N N 20 -ARG NE N N N 21 -ARG CZ C N N 22 -ARG NH1 N N N 23 -ARG NH2 N N N 24 -ARG OXT O N N 25 -ARG H H N N 26 -ARG H2 H N N 27 -ARG HA H N N 28 -ARG HB2 H N N 29 -ARG HB3 H N N 30 -ARG HG2 H N N 31 -ARG HG3 H N N 32 -ARG HD2 H N N 33 -ARG HD3 H N N 34 -ARG HE H N N 35 -ARG HH11 H N N 36 -ARG HH12 H N N 37 -ARG HH21 H N N 38 -ARG HH22 H N N 39 -ARG HXT H N N 40 -ASN N N N N 41 -ASN CA C N S 42 -ASN C C N N 43 -ASN O O N N 44 -ASN CB C N N 45 -ASN CG C N N 46 -ASN OD1 O N N 47 -ASN ND2 N N N 48 -ASN OXT O N N 49 -ASN H H N N 50 -ASN H2 H N N 51 -ASN HA H N N 52 -ASN HB2 H N N 53 -ASN HB3 H N N 54 -ASN HD21 H N N 55 -ASN HD22 H N N 56 -ASN HXT H N N 57 -ASP N N N N 58 -ASP CA C N S 59 -ASP C C N N 60 -ASP O O N N 61 -ASP CB C N N 62 -ASP CG C N N 63 -ASP OD1 O N N 64 -ASP OD2 O N N 65 -ASP OXT O N N 66 -ASP H H N N 67 -ASP H2 H N N 68 -ASP HA H N N 69 -ASP HB2 H N N 70 -ASP HB3 H N N 71 -ASP HD2 H N N 72 -ASP HXT H N N 73 -C C C N N 74 -L L L ? N 75 -CMO C C ? N 76 -CMO O O N N 77 -CYN C C N N 78 -CYN N N N N 79 -CYS N N N R 80 -CYS CA C N N 81 -CYS C C N N 82 -CYS O O N N 83 -CYS CB C N N 84 -CYS SG S N N 85 -CYS OXT O N N 86 -CYS H H N N 87 -CYS H2 H N N 88 -CYS HA H N N 89 -CYS HB2 H N N 90 -CYS HB3 H N N 91 -CYS HG H N N 92 -CYS HXT H N N 93 -F F F N N 94 -E E E N S 95 -2 N N N N 96 -GLN CA C N N 97 -GLN C C N N 98 -GLN O O N N 99 -GLN CB C N N 100 -GLN CG C N N 101 -GLN CD C N N 102 -GLN OE1 O N N 103 -GLN NE2 N N N 104 -GLN OXT O N N 105 -GLN H H N N 106 -GLN H2 H N N 107 -GLN HA H N N 108 -GLN HB2 H N N 109 -GLN HB3 H N N 110 -GLN HG2 H N N 111 -GLN HG3 H N N 112 -GLN HE21 H N N 113 -GLN HE22 H N N 114 -GLN HXT H N S 115 -GLN N N N N 116 -GLU CA C N N 117 -GLU C C N N 118 -GLU O O N N 119 -GLU CB C N N 120 -GLU CG C N N 121 -GLU CD C N N 122 -GLU OE1 O N N 123 -GLU OE2 O N N 124 -GLU OXT O N N 125 -GLU H H N N 126 -GLU H2 H N N 127 -GLU HA H N N 128 -GLU HB2 H N N 129 -GLU HB3 H N N 130 -GLU HG2 H N N 131 -GLU HG3 H N N 132 -GLU HE2 H N N 133 -GLU HXT H N N 134 -GLU N N N N 135 -GLY CA C N N 136 -GLY C C N N 137 -GLY O O N N 138 -GLY OXT O N N 139 -GLY H H N N 140 -GLY H2 H N N 141 -GLY HA2 H N N 142 -GLY HA3 H ? N 143 -GLY HXT H ? N 144 -GLY C1 C ? N 145 -GOL O1 O ? N 146 -GOL C2 C ? N 147 -GOL O2 O ? N 148 -GOL C3 C ? N 149 -GOL O3 O ? N 150 -GOL H11 H ? N 151 -GOL H12 H ? N 152 -GOL H2 H ? N 153 -GOL HO2 H ? N 154 -GOL H31 H N N 155 -GOL H32 H N S 156 -GOL N N N N 157 -HIS CA C N N 158 -HIS C C N N 159 -HIS O O Y N 160 -HIS CB C Y N 161 -HIS CG C Y N 162 -HIS ND1 N Y N 163 -HIS CD2 C Y N 164 -HIS CE1 C N N 165 -HIS NE2 N N N 166 -HIS OXT O N N 167 -HIS H H N N 168 -HIS H2 H N N 169 -HIS HA H N N 170 -HIS HB2 H N N 171 -HIS HB3 H N N 172 -HIS HD1 H N N 173 -HIS HD2 H N N 174 -HIS HE1 H N N 175 -HIS HE2 H N N 176 -HIS HXT H N N 177 -HIS O O N N 178 -HOH H1 H N N 179 -HOH H2 H N S 180 -HOH N N N N 181 -ILE CA C N N 182 -ILE C C N S 183 -ILE O O N N 184 -ILE CB C N N 185 -ILE CG1 C N N 186 -ILE CG2 C N N 187 -ILE CD1 C N N 188 -ILE OXT O N N 189 -ILE H H N N 190 -ILE H2 H N N 191 -ILE HA H N N 192 -ILE HB H N N 193 -ILE HG12 H N N 194 -ILE HG13 H N N 195 -ILE HG21 H N N 196 -ILE HG22 H N N 197 -ILE HG23 H N N 198 -ILE HD11 H N N 199 -ILE HD12 H N N 200 -ILE HD13 H N N 201 -ILE HXT H N S 202 -ILE N N N N 203 -LEU CA C N N 204 -LEU C C N N 205 -LEU O O N N 206 -LEU CB C N N 207 -LEU CG C N N 208 -LEU CD1 C N N 209 -LEU CD2 C N N 210 -LEU OXT O N N 211 -LEU H H N N 212 -LEU H2 H N N 213 -LEU HA H N N 214 -LEU HB2 H N N 215 -LEU HB3 H N N 216 -LEU HG H N N 217 -LEU HD11 H N N 218 -LEU HD12 H N N 219 -LEU HD13 H N N 220 -LEU HD21 H N N 221 -LEU HD22 H N N 222 -LEU HD23 H N N 223 -LEU HXT H N S 224 -LEU N N N N 225 -LYS CA C N N 226 -LYS C C N N 227 -LYS O O N N 228 -LYS CB C N N 229 -LYS CG C N N 230 -LYS CD C N N 231 -LYS CE C N N 232 -LYS NZ N N N 233 -LYS OXT O N N 234 -LYS H H N N 235 -LYS H2 H N N 236 -LYS HA H N N 237 -LYS HB2 H N N 238 -LYS HB3 H N N 239 -LYS HG2 H N N 240 -LYS HG3 H N N 241 -LYS HD2 H N N 242 -LYS HD3 H N N 243 -LYS HE2 H N N 244 -LYS HE3 H N N 245 -LYS HZ1 H N N 246 -LYS HZ2 H N N 247 -LYS HZ3 H N N 248 -LYS HXT H N S 249 -LYS N N N N 250 -MET CA C N N 251 -MET C C N N 252 -MET O O N N 253 -MET CB C N N 254 -MET CG C N N 255 -MET SD S N N 256 -MET CE C N N 257 -MET OXT O N N 258 -MET H H N N 259 -MET H2 H N N 260 -MET HA H N N 261 -MET HB2 H N N 262 -MET HB3 H N N 263 -MET HG2 H N N 264 -MET HG3 H N N 265 -MET HE1 H N N 266 -MET HE2 H N N 267 -MET HE3 H N N 268 -MET HXT H N S 269 -MET N N N N 270 -PHE CA C N N 271 -PHE C C N N 272 -PHE O O Y N 273 -PHE CB C Y N 274 -PHE CG C Y N 275 -PHE CD1 C Y N 276 -PHE CD2 C Y N 277 -PHE CE1 C Y N 278 -PHE CE2 C N N 279 -PHE CZ C N N 280 -PHE OXT O N N 281 -PHE H H N N 282 -PHE H2 H N N 283 -PHE HA H N N 284 -PHE HB2 H N N 285 -PHE HB3 H N N 286 -PHE HD1 H N N 287 -PHE HD2 H N N 288 -PHE HE1 H N N 289 -PHE HE2 H N N 290 -PHE HZ H N N 291 -PHE HXT H N N 292 -PHE P P N N 293 -PO4 O1 O N N 294 -PO4 O2 O N N 295 -PO4 O3 O N N 296 -PO4 O4 O N S 297 -PO4 N N N N 298 -PRO CA C N N 299 -PRO C C N N 300 -PRO O O N N 301 -PRO CB C N N 302 -PRO CG C N N 303 -PRO CD C N N 304 -PRO OXT O N N 305 -PRO H H N N 306 -PRO HA H N N 307 -PRO HB2 H N N 308 -PRO HB3 H N N 309 -PRO HG2 H N N 310 -PRO HG3 H N N 311 -PRO HD2 H N N 312 -PRO HD3 H ? N 313 -PRO HXT H ? N 314 -PRO C C ? N 315 -PYR O O ? N 316 -PYR OXT O ? N 317 -PYR CA C ? N 318 -PYR O3 O ? N 319 -PYR CB C ? N 320 -PYR HB1 H ? N 321 -PYR HB2 H ? N 322 -PYR HB3 H ? S 323 -PYR N N ? N 324 -SAH CA C ? N 325 -SAH CB C ? N 326 -SAH CG C ? N 327 -SAH SD S ? N 328 -SAH C C ? N 329 -SAH O O ? N 330 -SAH OXT O ? S 331 -SAH "C5'" C ? N 332 -SAH "C4'" C ? S 333 -SAH "O4'" O ? N 334 -SAH "C3'" C ? R 335 -SAH "O3'" O ? N 336 -SAH "C2'" C ? R 337 -SAH "O2'" O ? N 338 -SAH "C1'" C ? N 339 -SAH N9 N ? N 340 -SAH C8 C ? N 341 -SAH N7 N ? N 342 -SAH C5 C ? N 343 -SAH C6 C ? N 344 -SAH N6 N ? N 345 -SAH N1 N ? N 346 -SAH C2 C ? N 347 -SAH N3 N ? N 348 -SAH C4 C ? N 349 -SAH H2 H ? N 350 -SAH HN1 H ? N 351 -SAH HN2 H ? N 352 -SAH HA H ? N 353 -SAH HB1 H ? N 354 -SAH HB2 H ? N 355 -SAH HG1 H ? N 356 -SAH HG2 H ? N 357 -SAH "H5'1" H ? N 358 -SAH "H5'2" H ? N 359 -SAH "H4'" H ? N 360 -SAH "H3'" H ? N 361 -SAH "HO3'" H ? N 362 -SAH "H2'" H ? N 363 -SAH "HO2'" H ? N 364 -SAH "H1'" H ? N 365 -SAH H8 H ? N 366 -SAH HN61 H N N 367 -SAH HN62 H N S 368 -SAH N N N N 369 -SER CA C N N 370 -SER C C N N 371 -SER O O N N 372 -SER CB C N N 373 -SER OG O N N 374 -SER OXT O N N 375 -SER H H N N 376 -SER H2 H N N 377 -SER HA H N N 378 -SER HB2 H N N 379 -SER HB3 H N N 380 -SER HG H ? N 381 -SER HXT H ? N 382 -SER FE1 FE ? N 383 -SF4 FE2 FE ? N 384 -SF4 FE3 FE ? N 385 -SF4 FE4 FE ? N 386 -SF4 S1 S ? N 387 -SF4 S2 S ? N 388 -SF4 S3 S N N 389 -SF4 S4 S N S 390 -SF4 N N N N 391 -THR CA C N N 392 -THR C C N R 393 -THR O O N N 394 -THR CB C N N 395 -THR OG1 O N N 396 -THR CG2 C N N 397 -THR OXT O N N 398 -THR H H N N 399 -THR H2 H N N 400 -THR HA H N N 401 -THR HB H N N 402 -THR HG1 H N N 403 -THR HG21 H N N 404 -THR HG22 H N N 405 -THR HG23 H N N 406 -THR HXT H N S 407 -THR N N N N 408 -TRP CA C N N 409 -TRP C C N N 410 -TRP O O Y N 411 -TRP CB C Y N 412 -TRP CG C Y N 413 -TRP CD1 C Y N 414 -TRP CD2 C Y N 415 -TRP NE1 N Y N 416 -TRP CE2 C Y N 417 -TRP CE3 C Y N 418 -TRP CZ2 C Y N 419 -TRP CZ3 C N N 420 -TRP CH2 C N N 421 -TRP OXT O N N 422 -TRP H H N N 423 -TRP H2 H N N 424 -TRP HA H N N 425 -TRP HB2 H N N 426 -TRP HB3 H N N 427 -TRP HD1 H N N 428 -TRP HE1 H N N 429 -TRP HE3 H N N 430 -TRP HZ2 H N N 431 -TRP HZ3 H N N 432 -TRP HH2 H N N 433 -TRP HXT H N S 434 -TRP N N N N 435 -TYR CA C N N 436 -TYR C C N N 437 -TYR O O Y N 438 -TYR CB C Y N 439 -TYR CG C Y N 440 -TYR CD1 C Y N 441 -TYR CD2 C Y N 442 -TYR CE1 C Y N 443 -TYR CE2 C N N 444 -TYR CZ C N N 445 -TYR OH O N N 446 -TYR OXT O N N 447 -TYR H H N N 448 -TYR H2 H N N 449 -TYR HA H N N 450 -TYR HB2 H N N 451 -TYR HB3 H N N 452 -TYR HD1 H N N 453 -TYR HD2 H N N 454 -TYR HE1 H N N 455 -TYR HE2 H N N 456 -TYR HH H N N 457 -TYR HXT H N S 458 -TYR N N N N 459 -VAL CA C N N 460 -VAL C C N N 461 -VAL O O N N 462 -VAL CB C N N 463 -VAL CG1 C N N 464 -VAL CG2 C N N 465 -VAL OXT O N N 466 -VAL H H N N 467 -VAL H2 H N N 468 -VAL HA H N N 469 -VAL HB H N N 470 -VAL HG11 H N N 471 -VAL HG12 H N N 472 -VAL HG13 H N N 473 -VAL HG21 H N N 474 -VAL HG22 H N N 475 +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +ASP N N N N 58 +ASP CA C N S 59 +ASP C C N N 60 +ASP O O N N 61 +ASP CB C N N 62 +ASP CG C N N 63 +ASP OD1 O N N 64 +ASP OD2 O N N 65 +ASP OXT O N N 66 +ASP H H N N 67 +ASP H2 H N N 68 +ASP HA H N N 69 +ASP HB2 H N N 70 +ASP HB3 H N N 71 +ASP HD2 H N N 72 +ASP HXT H N N 73 +C C C N N 74 +L L L ? N 75 +CMO C C ? N 76 +CMO O O N N 77 +CYN C C N N 78 +CYN N N N N 79 +CYS N N N R 80 +CYS CA C N N 81 +CYS C C N N 82 +CYS O O N N 83 +CYS CB C N N 84 +CYS SG S N N 85 +CYS OXT O N N 86 +CYS H H N N 87 +CYS H2 H N N 88 +CYS HA H N N 89 +CYS HB2 H N N 90 +CYS HB3 H N N 91 +CYS HG H N N 92 +CYS HXT H N N 93 +F F F N N 94 +E E E N S 95 +2 N N N N 96 +GLN CA C N N 97 +GLN C C N N 98 +GLN O O N N 99 +GLN CB C N N 100 +GLN CG C N N 101 +GLN CD C N N 102 +GLN OE1 O N N 103 +GLN NE2 N N N 104 +GLN OXT O N N 105 +GLN H H N N 106 +GLN H2 H N N 107 +GLN HA H N N 108 +GLN HB2 H N N 109 +GLN HB3 H N N 110 +GLN HG2 H N N 111 +GLN HG3 H N N 112 +GLN HE21 H N N 113 +GLN HE22 H N N 114 +GLN HXT H N S 115 +GLN N N N N 116 +GLU CA C N N 117 +GLU C C N N 118 +GLU O O N N 119 +GLU CB C N N 120 +GLU CG C N N 121 +GLU CD C N N 122 +GLU OE1 O N N 123 +GLU OE2 O N N 124 +GLU OXT O N N 125 +GLU H H N N 126 +GLU H2 H N N 127 +GLU HA H N N 128 +GLU HB2 H N N 129 +GLU HB3 H N N 130 +GLU HG2 H N N 131 +GLU HG3 H N N 132 +GLU HE2 H N N 133 +GLU HXT H N N 134 +GLU N N N N 135 +GLY CA C N N 136 +GLY C C N N 137 +GLY O O N N 138 +GLY OXT O N N 139 +GLY H H N N 140 +GLY H2 H N N 141 +GLY HA2 H N N 142 +GLY HA3 H ? N 143 +GLY HXT H ? N 144 +GLY C1 C ? N 145 +GOL O1 O ? N 146 +GOL C2 C ? N 147 +GOL O2 O ? N 148 +GOL C3 C ? N 149 +GOL O3 O ? N 150 +GOL H11 H ? N 151 +GOL H12 H ? N 152 +GOL H2 H ? N 153 +GOL HO2 H ? N 154 +GOL H31 H N N 155 +GOL H32 H N S 156 +GOL N N N N 157 +HIS CA C N N 158 +HIS C C N N 159 +HIS O O Y N 160 +HIS CB C Y N 161 +HIS CG C Y N 162 +HIS ND1 N Y N 163 +HIS CD2 C Y N 164 +HIS CE1 C N N 165 +HIS NE2 N N N 166 +HIS OXT O N N 167 +HIS H H N N 168 +HIS H2 H N N 169 +HIS HA H N N 170 +HIS HB2 H N N 171 +HIS HB3 H N N 172 +HIS HD1 H N N 173 +HIS HD2 H N N 174 +HIS HE1 H N N 175 +HIS HE2 H N N 176 +HIS HXT H N N 177 +HIS O O N N 178 +HOH H1 H N N 179 +HOH H2 H N S 180 +HOH N N N N 181 +ILE CA C N N 182 +ILE C C N S 183 +ILE O O N N 184 +ILE CB C N N 185 +ILE CG1 C N N 186 +ILE CG2 C N N 187 +ILE CD1 C N N 188 +ILE OXT O N N 189 +ILE H H N N 190 +ILE H2 H N N 191 +ILE HA H N N 192 +ILE HB H N N 193 +ILE HG12 H N N 194 +ILE HG13 H N N 195 +ILE HG21 H N N 196 +ILE HG22 H N N 197 +ILE HG23 H N N 198 +ILE HD11 H N N 199 +ILE HD12 H N N 200 +ILE HD13 H N N 201 +ILE HXT H N S 202 +ILE N N N N 203 +LEU CA C N N 204 +LEU C C N N 205 +LEU O O N N 206 +LEU CB C N N 207 +LEU CG C N N 208 +LEU CD1 C N N 209 +LEU CD2 C N N 210 +LEU OXT O N N 211 +LEU H H N N 212 +LEU H2 H N N 213 +LEU HA H N N 214 +LEU HB2 H N N 215 +LEU HB3 H N N 216 +LEU HG H N N 217 +LEU HD11 H N N 218 +LEU HD12 H N N 219 +LEU HD13 H N N 220 +LEU HD21 H N N 221 +LEU HD22 H N N 222 +LEU HD23 H N N 223 +LEU HXT H N S 224 +LEU N N N N 225 +LYS CA C N N 226 +LYS C C N N 227 +LYS O O N N 228 +LYS CB C N N 229 +LYS CG C N N 230 +LYS CD C N N 231 +LYS CE C N N 232 +LYS NZ N N N 233 +LYS OXT O N N 234 +LYS H H N N 235 +LYS H2 H N N 236 +LYS HA H N N 237 +LYS HB2 H N N 238 +LYS HB3 H N N 239 +LYS HG2 H N N 240 +LYS HG3 H N N 241 +LYS HD2 H N N 242 +LYS HD3 H N N 243 +LYS HE2 H N N 244 +LYS HE3 H N N 245 +LYS HZ1 H N N 246 +LYS HZ2 H N N 247 +LYS HZ3 H N N 248 +LYS HXT H N S 249 +LYS N N N N 250 +MET CA C N N 251 +MET C C N N 252 +MET O O N N 253 +MET CB C N N 254 +MET CG C N N 255 +MET SD S N N 256 +MET CE C N N 257 +MET OXT O N N 258 +MET H H N N 259 +MET H2 H N N 260 +MET HA H N N 261 +MET HB2 H N N 262 +MET HB3 H N N 263 +MET HG2 H N N 264 +MET HG3 H N N 265 +MET HE1 H N N 266 +MET HE2 H N N 267 +MET HE3 H N N 268 +MET HXT H N S 269 +MET N N N N 270 +PHE CA C N N 271 +PHE C C N N 272 +PHE O O Y N 273 +PHE CB C Y N 274 +PHE CG C Y N 275 +PHE CD1 C Y N 276 +PHE CD2 C Y N 277 +PHE CE1 C Y N 278 +PHE CE2 C N N 279 +PHE CZ C N N 280 +PHE OXT O N N 281 +PHE H H N N 282 +PHE H2 H N N 283 +PHE HA H N N 284 +PHE HB2 H N N 285 +PHE HB3 H N N 286 +PHE HD1 H N N 287 +PHE HD2 H N N 288 +PHE HE1 H N N 289 +PHE HE2 H N N 290 +PHE HZ H N N 291 +PHE HXT H N N 292 +PHE P P N N 293 +PO4 O1 O N N 294 +PO4 O2 O N N 295 +PO4 O3 O N N 296 +PO4 O4 O N S 297 +PO4 N N N N 298 +PRO CA C N N 299 +PRO C C N N 300 +PRO O O N N 301 +PRO CB C N N 302 +PRO CG C N N 303 +PRO CD C N N 304 +PRO OXT O N N 305 +PRO H H N N 306 +PRO HA H N N 307 +PRO HB2 H N N 308 +PRO HB3 H N N 309 +PRO HG2 H N N 310 +PRO HG3 H N N 311 +PRO HD2 H N N 312 +PRO HD3 H ? N 313 +PRO HXT H ? N 314 +PRO C C ? N 315 +PYR O O ? N 316 +PYR OXT O ? N 317 +PYR CA C ? N 318 +PYR O3 O ? N 319 +PYR CB C ? N 320 +PYR HB1 H ? N 321 +PYR HB2 H ? N 322 +PYR HB3 H ? S 323 +PYR N N ? N 324 +SAH CA C ? N 325 +SAH CB C ? N 326 +SAH CG C ? N 327 +SAH SD S ? N 328 +SAH C C ? N 329 +SAH O O ? N 330 +SAH OXT O ? S 331 +SAH C5' C ? N 332 +SAH C4' C ? S 333 +SAH O4' O ? N 334 +SAH C3' C ? R 335 +SAH O3' O ? N 336 +SAH C2' C ? R 337 +SAH O2' O ? N 338 +SAH C1' C ? N 339 +SAH N9 N ? N 340 +SAH C8 C ? N 341 +SAH N7 N ? N 342 +SAH C5 C ? N 343 +SAH C6 C ? N 344 +SAH N6 N ? N 345 +SAH N1 N ? N 346 +SAH C2 C ? N 347 +SAH N3 N ? N 348 +SAH C4 C ? N 349 +SAH H2 H ? N 350 +SAH HN1 H ? N 351 +SAH HN2 H ? N 352 +SAH HA H ? N 353 +SAH HB1 H ? N 354 +SAH HB2 H ? N 355 +SAH HG1 H ? N 356 +SAH HG2 H ? N 357 +SAH H5'1 H ? N 358 +SAH H5'2 H ? N 359 +SAH H4' H ? N 360 +SAH H3' H ? N 361 +SAH HO3' H ? N 362 +SAH H2' H ? N 363 +SAH HO2' H ? N 364 +SAH H1' H ? N 365 +SAH H8 H ? N 366 +SAH HN61 H N N 367 +SAH HN62 H N S 368 +SAH N N N N 369 +SER CA C N N 370 +SER C C N N 371 +SER O O N N 372 +SER CB C N N 373 +SER OG O N N 374 +SER OXT O N N 375 +SER H H N N 376 +SER H2 H N N 377 +SER HA H N N 378 +SER HB2 H N N 379 +SER HB3 H N N 380 +SER HG H ? N 381 +SER HXT H ? N 382 +SER FE1 FE ? N 383 +SF4 FE2 FE ? N 384 +SF4 FE3 FE ? N 385 +SF4 FE4 FE ? N 386 +SF4 S1 S ? N 387 +SF4 S2 S ? N 388 +SF4 S3 S N N 389 +SF4 S4 S N S 390 +SF4 N N N N 391 +THR CA C N N 392 +THR C C N R 393 +THR O O N N 394 +THR CB C N N 395 +THR OG1 O N N 396 +THR CG2 C N N 397 +THR OXT O N N 398 +THR H H N N 399 +THR H2 H N N 400 +THR HA H N N 401 +THR HB H N N 402 +THR HG1 H N N 403 +THR HG21 H N N 404 +THR HG22 H N N 405 +THR HG23 H N N 406 +THR HXT H N S 407 +THR N N N N 408 +TRP CA C N N 409 +TRP C C N N 410 +TRP O O Y N 411 +TRP CB C Y N 412 +TRP CG C Y N 413 +TRP CD1 C Y N 414 +TRP CD2 C Y N 415 +TRP NE1 N Y N 416 +TRP CE2 C Y N 417 +TRP CE3 C Y N 418 +TRP CZ2 C Y N 419 +TRP CZ3 C N N 420 +TRP CH2 C N N 421 +TRP OXT O N N 422 +TRP H H N N 423 +TRP H2 H N N 424 +TRP HA H N N 425 +TRP HB2 H N N 426 +TRP HB3 H N N 427 +TRP HD1 H N N 428 +TRP HE1 H N N 429 +TRP HE3 H N N 430 +TRP HZ2 H N N 431 +TRP HZ3 H N N 432 +TRP HH2 H N N 433 +TRP HXT H N S 434 +TRP N N N N 435 +TYR CA C N N 436 +TYR C C N N 437 +TYR O O Y N 438 +TYR CB C Y N 439 +TYR CG C Y N 440 +TYR CD1 C Y N 441 +TYR CD2 C Y N 442 +TYR CE1 C Y N 443 +TYR CE2 C N N 444 +TYR CZ C N N 445 +TYR OH O N N 446 +TYR OXT O N N 447 +TYR H H N N 448 +TYR H2 H N N 449 +TYR HA H N N 450 +TYR HB2 H N N 451 +TYR HB3 H N N 452 +TYR HD1 H N N 453 +TYR HD2 H N N 454 +TYR HE1 H N N 455 +TYR HE2 H N N 456 +TYR HH H N N 457 +TYR HXT H N S 458 +TYR N N N N 459 +VAL CA C N N 460 +VAL C C N N 461 +VAL O O N N 462 +VAL CB C N N 463 +VAL CG1 C N N 464 +VAL CG2 C N N 465 +VAL OXT O N N 466 +VAL H H N N 467 +VAL H2 H N N 468 +VAL HA H N N 469 +VAL HB H N N 470 +VAL HG11 H N N 471 +VAL HG12 H N N 472 +VAL HG13 H N N 473 +VAL HG21 H N N 474 +VAL HG22 H N N 475 # loop_ _chem_comp_bond.comp_id @@ -8787,465 +8352,465 @@ _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal -ALA N CA SING N N 1 -ALA N H SING N N 2 -ALA N H2 SING N N 3 -ALA CA C SING N N 4 -ALA CA CB SING N N 5 -ALA CA HA SING N N 6 -ALA C O DOUB N N 7 -ALA C OXT SING N N 8 -ALA CB HB1 SING N N 9 -ALA CB HB2 SING N N 10 -ALA CB HB3 SING N N 11 -ALA OXT HXT SING N N 12 -ARG N CA SING N N 13 -ARG N H SING N N 14 -ARG N H2 SING N N 15 -ARG CA C SING N N 16 -ARG CA CB SING N N 17 -ARG CA HA SING N N 18 -ARG C O DOUB N N 19 -ARG C OXT SING N N 20 -ARG CB CG SING N N 21 -ARG CB HB2 SING N N 22 -ARG CB HB3 SING N N 23 -ARG CG CD SING N N 24 -ARG CG HG2 SING N N 25 -ARG CG HG3 SING N N 26 -ARG CD NE SING N N 27 -ARG CD HD2 SING N N 28 -ARG CD HD3 SING N N 29 -ARG NE CZ SING N N 30 -ARG NE HE SING N N 31 -ARG CZ NH1 SING N N 32 -ARG CZ NH2 DOUB N N 33 -ARG NH1 HH11 SING N N 34 -ARG NH1 HH12 SING N N 35 -ARG NH2 HH21 SING N N 36 -ARG NH2 HH22 SING N N 37 -ARG OXT HXT SING N N 38 -ASN N CA SING N N 39 -ASN N H SING N N 40 -ASN N H2 SING N N 41 -ASN CA C SING N N 42 -ASN CA CB SING N N 43 -ASN CA HA SING N N 44 -ASN C O DOUB N N 45 -ASN C OXT SING N N 46 -ASN CB CG SING N N 47 -ASN CB HB2 SING N N 48 -ASN CB HB3 SING N N 49 -ASN CG OD1 DOUB N N 50 -ASN CG ND2 SING N N 51 -ASN ND2 HD21 SING N N 52 -ASN ND2 HD22 SING N N 53 -ASN OXT HXT SING N N 54 -ASP N CA SING N N 55 -ASP N H SING N N 56 -ASP N H2 SING N N 57 -ASP CA C SING N N 58 -ASP CA CB SING N N 59 -ASP CA HA SING N N 60 -ASP C O DOUB N N 61 -ASP C OXT SING N N 62 -ASP CB CG SING N N 63 -ASP CB HB2 SING N N 64 -ASP CB HB3 SING N N 65 -ASP CG OD1 DOUB N N 66 -ASP CG OD2 SING N N 67 -ASP OD2 HD2 SING N N 68 -ASP OXT HXT SING N N 69 -CMO C O trip ? N 70 -CYN C N TRIP N N 71 -CYS N CA SING N N 72 -CYS N H SING N N 73 -CYS N H2 SING N N 74 -CYS CA C SING N N 75 -CYS CA CB SING N N 76 -CYS CA HA SING N N 77 -CYS C O DOUB N N 78 -CYS C OXT SING N N 79 -CYS CB SG SING N N 80 -CYS CB HB2 SING N N 81 -CYS CB HB3 SING N N 82 -CYS SG HG SING N N 83 -CYS OXT HXT SING N N 84 -GLN N CA SING N N 85 -GLN N H SING N N 86 -GLN N H2 SING N N 87 -GLN CA C SING N N 88 -GLN CA CB SING N N 89 -GLN CA HA SING N N 90 -GLN C O DOUB N N 91 -GLN C OXT SING N N 92 -GLN CB CG SING N N 93 -GLN CB HB2 SING N N 94 -GLN CB HB3 SING N N 95 -GLN CG CD SING N N 96 -GLN CG HG2 SING N N 97 -GLN CG HG3 SING N N 98 -GLN CD OE1 DOUB N N 99 -GLN CD NE2 SING N N 100 -GLN NE2 HE21 SING N N 101 -GLN NE2 HE22 SING N N 102 -GLN OXT HXT SING N N 103 -GLU N CA SING N N 104 -GLU N H SING N N 105 -GLU N H2 SING N N 106 -GLU CA C SING N N 107 -GLU CA CB SING N N 108 -GLU CA HA SING N N 109 -GLU C O DOUB N N 110 -GLU C OXT SING N N 111 -GLU CB CG SING N N 112 -GLU CB HB2 SING N N 113 -GLU CB HB3 SING N N 114 -GLU CG CD SING N N 115 -GLU CG HG2 SING N N 116 -GLU CG HG3 SING N N 117 -GLU CD OE1 DOUB N N 118 -GLU CD OE2 SING N N 119 -GLU OE2 HE2 SING N N 120 -GLU OXT HXT SING N N 121 -GLY N CA SING N N 122 -GLY N H SING N N 123 -GLY N H2 SING N N 124 -GLY CA C SING N N 125 -GLY CA HA2 SING N N 126 -GLY CA HA3 SING N N 127 -GLY C O DOUB N N 128 -GLY C OXT SING N N 129 -GLY OXT HXT SING N N 130 -GOL C1 O1 sing ? N 131 -GOL C1 C2 sing ? N 132 -GOL C1 H11 sing ? N 133 -GOL C1 H12 sing ? N 134 -GOL C2 O2 sing ? N 135 -GOL C2 C3 sing ? N 136 -GOL C2 H2 sing ? N 137 -GOL O2 HO2 sing ? N 138 -GOL C3 O3 sing ? N 139 -GOL C3 H31 sing ? N 140 -GOL C3 H32 sing ? N 141 -HIS N CA SING N N 142 -HIS N H SING N N 143 -HIS N H2 SING N N 144 -HIS CA C SING N N 145 -HIS CA CB SING N N 146 -HIS CA HA SING N N 147 -HIS C O DOUB N N 148 -HIS C OXT SING N N 149 -HIS CB CG SING N N 150 -HIS CB HB2 SING N N 151 -HIS CB HB3 SING N N 152 -HIS CG ND1 SING Y N 153 -HIS CG CD2 DOUB Y N 154 -HIS ND1 CE1 DOUB Y N 155 -HIS ND1 HD1 SING N N 156 -HIS CD2 NE2 SING Y N 157 -HIS CD2 HD2 SING N N 158 -HIS CE1 NE2 SING Y N 159 -HIS CE1 HE1 SING N N 160 -HIS NE2 HE2 SING N N 161 -HIS OXT HXT SING N N 162 -HOH O H1 SING N N 163 -HOH O H2 SING N N 164 -ILE N CA SING N N 165 -ILE N H SING N N 166 -ILE N H2 SING N N 167 -ILE CA C SING N N 168 -ILE CA CB SING N N 169 -ILE CA HA SING N N 170 -ILE C O DOUB N N 171 -ILE C OXT SING N N 172 -ILE CB CG1 SING N N 173 -ILE CB CG2 SING N N 174 -ILE CB HB SING N N 175 -ILE CG1 CD1 SING N N 176 -ILE CG1 HG12 SING N N 177 -ILE CG1 HG13 SING N N 178 -ILE CG2 HG21 SING N N 179 -ILE CG2 HG22 SING N N 180 -ILE CG2 HG23 SING N N 181 -ILE CD1 HD11 SING N N 182 -ILE CD1 HD12 SING N N 183 -ILE CD1 HD13 SING N N 184 -ILE OXT HXT SING N N 185 -LEU N CA SING N N 186 -LEU N H SING N N 187 -LEU N H2 SING N N 188 -LEU CA C SING N N 189 -LEU CA CB SING N N 190 -LEU CA HA SING N N 191 -LEU C O DOUB N N 192 -LEU C OXT SING N N 193 -LEU CB CG SING N N 194 -LEU CB HB2 SING N N 195 -LEU CB HB3 SING N N 196 -LEU CG CD1 SING N N 197 -LEU CG CD2 SING N N 198 -LEU CG HG SING N N 199 -LEU CD1 HD11 SING N N 200 -LEU CD1 HD12 SING N N 201 -LEU CD1 HD13 SING N N 202 -LEU CD2 HD21 SING N N 203 -LEU CD2 HD22 SING N N 204 -LEU CD2 HD23 SING N N 205 -LEU OXT HXT SING N N 206 -LYS N CA SING N N 207 -LYS N H SING N N 208 -LYS N H2 SING N N 209 -LYS CA C SING N N 210 -LYS CA CB SING N N 211 -LYS CA HA SING N N 212 -LYS C O DOUB N N 213 -LYS C OXT SING N N 214 -LYS CB CG SING N N 215 -LYS CB HB2 SING N N 216 -LYS CB HB3 SING N N 217 -LYS CG CD SING N N 218 -LYS CG HG2 SING N N 219 -LYS CG HG3 SING N N 220 -LYS CD CE SING N N 221 -LYS CD HD2 SING N N 222 -LYS CD HD3 SING N N 223 -LYS CE NZ SING N N 224 -LYS CE HE2 SING N N 225 -LYS CE HE3 SING N N 226 -LYS NZ HZ1 SING N N 227 -LYS NZ HZ2 SING N N 228 -LYS NZ HZ3 SING N N 229 -LYS OXT HXT SING N N 230 -MET N CA SING N N 231 -MET N H SING N N 232 -MET N H2 SING N N 233 -MET CA C SING N N 234 -MET CA CB SING N N 235 -MET CA HA SING N N 236 -MET C O DOUB N N 237 -MET C OXT SING N N 238 -MET CB CG SING N N 239 -MET CB HB2 SING N N 240 -MET CB HB3 SING N N 241 -MET CG SD SING N N 242 -MET CG HG2 SING N N 243 -MET CG HG3 SING N N 244 -MET SD CE SING N N 245 -MET CE HE1 SING N N 246 -MET CE HE2 SING N N 247 -MET CE HE3 SING N N 248 -MET OXT HXT SING N N 249 -PHE N CA SING N N 250 -PHE N H SING N N 251 -PHE N H2 SING N N 252 -PHE CA C SING N N 253 -PHE CA CB SING N N 254 -PHE CA HA SING N N 255 -PHE C O DOUB N N 256 -PHE C OXT SING N N 257 -PHE CB CG SING N N 258 -PHE CB HB2 SING N N 259 -PHE CB HB3 SING N N 260 -PHE CG CD1 DOUB Y N 261 -PHE CG CD2 SING Y N 262 -PHE CD1 CE1 SING Y N 263 -PHE CD1 HD1 SING N N 264 -PHE CD2 CE2 DOUB Y N 265 -PHE CD2 HD2 SING N N 266 -PHE CE1 CZ DOUB Y N 267 -PHE CE1 HE1 SING N N 268 -PHE CE2 CZ SING Y N 269 -PHE CE2 HE2 SING N N 270 -PHE CZ HZ SING N N 271 -PHE OXT HXT SING N N 272 -PO4 P O1 DOUB N N 273 -PO4 P O2 SING N N 274 -PO4 P O3 SING N N 275 -PO4 P O4 SING N N 276 -PRO N CA SING N N 277 -PRO N CD SING N N 278 -PRO N H SING N N 279 -PRO CA C SING N N 280 -PRO CA CB SING N N 281 -PRO CA HA SING N N 282 -PRO C O DOUB N N 283 -PRO C OXT SING N N 284 -PRO CB CG SING N N 285 -PRO CB HB2 SING N N 286 -PRO CB HB3 SING N N 287 -PRO CG CD SING N N 288 -PRO CG HG2 SING N N 289 -PRO CG HG3 SING N N 290 -PRO CD HD2 SING N N 291 -PRO CD HD3 SING N N 292 -PRO OXT HXT SING N N 293 -PYR C O doub ? N 294 -PYR C OXT sing ? N 295 -PYR C CA sing ? N 296 -PYR CA O3 doub ? N 297 -PYR CA CB sing ? N 298 -PYR CB HB1 sing ? N 299 -PYR CB HB2 sing ? N 300 -PYR CB HB3 sing ? N 301 -SAH N CA sing ? N 302 -SAH N HN1 sing ? N 303 -SAH N HN2 sing ? N 304 -SAH CA CB sing ? N 305 -SAH CA C sing ? N 306 -SAH CA HA sing ? N 307 -SAH CB CG sing ? N 308 -SAH CB HB1 sing ? N 309 -SAH CB HB2 sing ? N 310 -SAH CG SD sing ? N 311 -SAH CG HG1 sing ? N 312 -SAH CG HG2 sing ? N 313 -SAH SD "C5'" sing ? N 314 -SAH C O doub ? N 315 -SAH C OXT sing ? N 316 -SAH "C5'" "C4'" sing ? N 317 -SAH "C5'" "H5'1" sing ? N 318 -SAH "C5'" "H5'2" sing ? N 319 -SAH "C4'" "O4'" sing ? N 320 -SAH "C4'" "C3'" sing ? N 321 -SAH "C4'" "H4'" sing ? N 322 -SAH "O4'" "C1'" sing ? N 323 -SAH "C3'" "O3'" sing ? N 324 -SAH "C3'" "C2'" sing ? N 325 -SAH "C3'" "H3'" sing ? N 326 -SAH "O3'" "HO3'" sing ? N 327 -SAH "C2'" "O2'" sing ? N 328 -SAH "C2'" "C1'" sing ? N 329 -SAH "C2'" "H2'" sing ? N 330 -SAH "O2'" "HO2'" sing ? N 331 -SAH "C1'" N9 sing ? N 332 -SAH "C1'" "H1'" sing ? N 333 -SAH N9 C8 sing ? N 334 -SAH N9 C4 sing ? N 335 -SAH C8 N7 doub ? N 336 -SAH C8 H8 sing ? N 337 -SAH N7 C5 sing ? N 338 -SAH C5 C6 sing ? N 339 -SAH C5 C4 doub ? N 340 -SAH C6 N6 sing ? N 341 -SAH C6 N1 doub ? N 342 -SAH N6 HN61 sing ? N 343 -SAH N6 HN62 sing ? N 344 -SAH N1 C2 sing ? N 345 -SAH C2 N3 doub ? N 346 -SAH C2 H2 sing ? N 347 -SAH N3 C4 sing ? N 348 -SER N CA SING N N 349 -SER N H SING N N 350 -SER N H2 SING N N 351 -SER CA C SING N N 352 -SER CA CB SING N N 353 -SER CA HA SING N N 354 -SER C O DOUB N N 355 -SER C OXT SING N N 356 -SER CB OG SING N N 357 -SER CB HB2 SING N N 358 -SER CB HB3 SING N N 359 -SER OG HG SING N N 360 -SER OXT HXT SING N N 361 -SF4 FE1 S2 sing ? N 362 -SF4 FE1 S3 sing ? N 363 -SF4 FE1 S4 sing ? N 364 -SF4 FE2 S1 sing ? N 365 -SF4 FE2 S3 sing ? N 366 -SF4 FE2 S4 sing ? N 367 -SF4 FE3 S1 sing ? N 368 -SF4 FE3 S2 sing ? N 369 -SF4 FE3 S4 sing ? N 370 -SF4 FE4 S1 sing ? N 371 -SF4 FE4 S2 sing ? N 372 -SF4 FE4 S3 sing ? N 373 -THR N CA SING N N 374 -THR N H SING N N 375 -THR N H2 SING N N 376 -THR CA C SING N N 377 -THR CA CB SING N N 378 -THR CA HA SING N N 379 -THR C O DOUB N N 380 -THR C OXT SING N N 381 -THR CB OG1 SING N N 382 -THR CB CG2 SING N N 383 -THR CB HB SING N N 384 -THR OG1 HG1 SING N N 385 -THR CG2 HG21 SING N N 386 -THR CG2 HG22 SING N N 387 -THR CG2 HG23 SING N N 388 -THR OXT HXT SING N N 389 -TRP N CA SING N N 390 -TRP N H SING N N 391 -TRP N H2 SING N N 392 -TRP CA C SING N N 393 -TRP CA CB SING N N 394 -TRP CA HA SING N N 395 -TRP C O DOUB N N 396 -TRP C OXT SING N N 397 -TRP CB CG SING N N 398 -TRP CB HB2 SING N N 399 -TRP CB HB3 SING N N 400 -TRP CG CD1 DOUB Y N 401 -TRP CG CD2 SING Y N 402 -TRP CD1 NE1 SING Y N 403 -TRP CD1 HD1 SING N N 404 -TRP CD2 CE2 DOUB Y N 405 -TRP CD2 CE3 SING Y N 406 -TRP NE1 CE2 SING Y N 407 -TRP NE1 HE1 SING N N 408 -TRP CE2 CZ2 SING Y N 409 -TRP CE3 CZ3 DOUB Y N 410 -TRP CE3 HE3 SING N N 411 -TRP CZ2 CH2 DOUB Y N 412 -TRP CZ2 HZ2 SING N N 413 -TRP CZ3 CH2 SING Y N 414 -TRP CZ3 HZ3 SING N N 415 -TRP CH2 HH2 SING N N 416 -TRP OXT HXT SING N N 417 -TYR N CA SING N N 418 -TYR N H SING N N 419 -TYR N H2 SING N N 420 -TYR CA C SING N N 421 -TYR CA CB SING N N 422 -TYR CA HA SING N N 423 -TYR C O DOUB N N 424 -TYR C OXT SING N N 425 -TYR CB CG SING N N 426 -TYR CB HB2 SING N N 427 -TYR CB HB3 SING N N 428 -TYR CG CD1 DOUB Y N 429 -TYR CG CD2 SING Y N 430 -TYR CD1 CE1 SING Y N 431 -TYR CD1 HD1 SING N N 432 -TYR CD2 CE2 DOUB Y N 433 -TYR CD2 HD2 SING N N 434 -TYR CE1 CZ DOUB Y N 435 -TYR CE1 HE1 SING N N 436 -TYR CE2 CZ SING Y N 437 -TYR CE2 HE2 SING N N 438 -TYR CZ OH SING N N 439 -TYR OH HH SING N N 440 -TYR OXT HXT SING N N 441 -VAL N CA SING N N 442 -VAL N H SING N N 443 -VAL N H2 SING N N 444 -VAL CA C SING N N 445 -VAL CA CB SING N N 446 -VAL CA HA SING N N 447 -VAL C O DOUB N N 448 -VAL C OXT SING N N 449 -VAL CB CG1 SING N N 450 -VAL CB CG2 SING N N 451 -VAL CB HB SING N N 452 -VAL CG1 HG11 SING N N 453 -VAL CG1 HG12 SING N N 454 -VAL CG1 HG13 SING N N 455 -VAL CG2 HG21 SING N N 456 -VAL CG2 HG22 SING N N 457 -VAL CG2 HG23 SING N N 458 -VAL OXT HXT SING N N 459 +ALA N CA SING N N 1 +ALA N H SING N N 2 +ALA N H2 SING N N 3 +ALA CA C SING N N 4 +ALA CA CB SING N N 5 +ALA CA HA SING N N 6 +ALA C O DOUB N N 7 +ALA C OXT SING N N 8 +ALA CB HB1 SING N N 9 +ALA CB HB2 SING N N 10 +ALA CB HB3 SING N N 11 +ALA OXT HXT SING N N 12 +ARG N CA SING N N 13 +ARG N H SING N N 14 +ARG N H2 SING N N 15 +ARG CA C SING N N 16 +ARG CA CB SING N N 17 +ARG CA HA SING N N 18 +ARG C O DOUB N N 19 +ARG C OXT SING N N 20 +ARG CB CG SING N N 21 +ARG CB HB2 SING N N 22 +ARG CB HB3 SING N N 23 +ARG CG CD SING N N 24 +ARG CG HG2 SING N N 25 +ARG CG HG3 SING N N 26 +ARG CD NE SING N N 27 +ARG CD HD2 SING N N 28 +ARG CD HD3 SING N N 29 +ARG NE CZ SING N N 30 +ARG NE HE SING N N 31 +ARG CZ NH1 SING N N 32 +ARG CZ NH2 DOUB N N 33 +ARG NH1 HH11 SING N N 34 +ARG NH1 HH12 SING N N 35 +ARG NH2 HH21 SING N N 36 +ARG NH2 HH22 SING N N 37 +ARG OXT HXT SING N N 38 +ASN N CA SING N N 39 +ASN N H SING N N 40 +ASN N H2 SING N N 41 +ASN CA C SING N N 42 +ASN CA CB SING N N 43 +ASN CA HA SING N N 44 +ASN C O DOUB N N 45 +ASN C OXT SING N N 46 +ASN CB CG SING N N 47 +ASN CB HB2 SING N N 48 +ASN CB HB3 SING N N 49 +ASN CG OD1 DOUB N N 50 +ASN CG ND2 SING N N 51 +ASN ND2 HD21 SING N N 52 +ASN ND2 HD22 SING N N 53 +ASN OXT HXT SING N N 54 +ASP N CA SING N N 55 +ASP N H SING N N 56 +ASP N H2 SING N N 57 +ASP CA C SING N N 58 +ASP CA CB SING N N 59 +ASP CA HA SING N N 60 +ASP C O DOUB N N 61 +ASP C OXT SING N N 62 +ASP CB CG SING N N 63 +ASP CB HB2 SING N N 64 +ASP CB HB3 SING N N 65 +ASP CG OD1 DOUB N N 66 +ASP CG OD2 SING N N 67 +ASP OD2 HD2 SING N N 68 +ASP OXT HXT SING N N 69 +CMO C O trip ? N 70 +CYN C N TRIP N N 71 +CYS N CA SING N N 72 +CYS N H SING N N 73 +CYS N H2 SING N N 74 +CYS CA C SING N N 75 +CYS CA CB SING N N 76 +CYS CA HA SING N N 77 +CYS C O DOUB N N 78 +CYS C OXT SING N N 79 +CYS CB SG SING N N 80 +CYS CB HB2 SING N N 81 +CYS CB HB3 SING N N 82 +CYS SG HG SING N N 83 +CYS OXT HXT SING N N 84 +GLN N CA SING N N 85 +GLN N H SING N N 86 +GLN N H2 SING N N 87 +GLN CA C SING N N 88 +GLN CA CB SING N N 89 +GLN CA HA SING N N 90 +GLN C O DOUB N N 91 +GLN C OXT SING N N 92 +GLN CB CG SING N N 93 +GLN CB HB2 SING N N 94 +GLN CB HB3 SING N N 95 +GLN CG CD SING N N 96 +GLN CG HG2 SING N N 97 +GLN CG HG3 SING N N 98 +GLN CD OE1 DOUB N N 99 +GLN CD NE2 SING N N 100 +GLN NE2 HE21 SING N N 101 +GLN NE2 HE22 SING N N 102 +GLN OXT HXT SING N N 103 +GLU N CA SING N N 104 +GLU N H SING N N 105 +GLU N H2 SING N N 106 +GLU CA C SING N N 107 +GLU CA CB SING N N 108 +GLU CA HA SING N N 109 +GLU C O DOUB N N 110 +GLU C OXT SING N N 111 +GLU CB CG SING N N 112 +GLU CB HB2 SING N N 113 +GLU CB HB3 SING N N 114 +GLU CG CD SING N N 115 +GLU CG HG2 SING N N 116 +GLU CG HG3 SING N N 117 +GLU CD OE1 DOUB N N 118 +GLU CD OE2 SING N N 119 +GLU OE2 HE2 SING N N 120 +GLU OXT HXT SING N N 121 +GLY N CA SING N N 122 +GLY N H SING N N 123 +GLY N H2 SING N N 124 +GLY CA C SING N N 125 +GLY CA HA2 SING N N 126 +GLY CA HA3 SING N N 127 +GLY C O DOUB N N 128 +GLY C OXT SING N N 129 +GLY OXT HXT SING N N 130 +GOL C1 O1 sing ? N 131 +GOL C1 C2 sing ? N 132 +GOL C1 H11 sing ? N 133 +GOL C1 H12 sing ? N 134 +GOL C2 O2 sing ? N 135 +GOL C2 C3 sing ? N 136 +GOL C2 H2 sing ? N 137 +GOL O2 HO2 sing ? N 138 +GOL C3 O3 sing ? N 139 +GOL C3 H31 sing ? N 140 +GOL C3 H32 sing ? N 141 +HIS N CA SING N N 142 +HIS N H SING N N 143 +HIS N H2 SING N N 144 +HIS CA C SING N N 145 +HIS CA CB SING N N 146 +HIS CA HA SING N N 147 +HIS C O DOUB N N 148 +HIS C OXT SING N N 149 +HIS CB CG SING N N 150 +HIS CB HB2 SING N N 151 +HIS CB HB3 SING N N 152 +HIS CG ND1 SING Y N 153 +HIS CG CD2 DOUB Y N 154 +HIS ND1 CE1 DOUB Y N 155 +HIS ND1 HD1 SING N N 156 +HIS CD2 NE2 SING Y N 157 +HIS CD2 HD2 SING N N 158 +HIS CE1 NE2 SING Y N 159 +HIS CE1 HE1 SING N N 160 +HIS NE2 HE2 SING N N 161 +HIS OXT HXT SING N N 162 +HOH O H1 SING N N 163 +HOH O H2 SING N N 164 +ILE N CA SING N N 165 +ILE N H SING N N 166 +ILE N H2 SING N N 167 +ILE CA C SING N N 168 +ILE CA CB SING N N 169 +ILE CA HA SING N N 170 +ILE C O DOUB N N 171 +ILE C OXT SING N N 172 +ILE CB CG1 SING N N 173 +ILE CB CG2 SING N N 174 +ILE CB HB SING N N 175 +ILE CG1 CD1 SING N N 176 +ILE CG1 HG12 SING N N 177 +ILE CG1 HG13 SING N N 178 +ILE CG2 HG21 SING N N 179 +ILE CG2 HG22 SING N N 180 +ILE CG2 HG23 SING N N 181 +ILE CD1 HD11 SING N N 182 +ILE CD1 HD12 SING N N 183 +ILE CD1 HD13 SING N N 184 +ILE OXT HXT SING N N 185 +LEU N CA SING N N 186 +LEU N H SING N N 187 +LEU N H2 SING N N 188 +LEU CA C SING N N 189 +LEU CA CB SING N N 190 +LEU CA HA SING N N 191 +LEU C O DOUB N N 192 +LEU C OXT SING N N 193 +LEU CB CG SING N N 194 +LEU CB HB2 SING N N 195 +LEU CB HB3 SING N N 196 +LEU CG CD1 SING N N 197 +LEU CG CD2 SING N N 198 +LEU CG HG SING N N 199 +LEU CD1 HD11 SING N N 200 +LEU CD1 HD12 SING N N 201 +LEU CD1 HD13 SING N N 202 +LEU CD2 HD21 SING N N 203 +LEU CD2 HD22 SING N N 204 +LEU CD2 HD23 SING N N 205 +LEU OXT HXT SING N N 206 +LYS N CA SING N N 207 +LYS N H SING N N 208 +LYS N H2 SING N N 209 +LYS CA C SING N N 210 +LYS CA CB SING N N 211 +LYS CA HA SING N N 212 +LYS C O DOUB N N 213 +LYS C OXT SING N N 214 +LYS CB CG SING N N 215 +LYS CB HB2 SING N N 216 +LYS CB HB3 SING N N 217 +LYS CG CD SING N N 218 +LYS CG HG2 SING N N 219 +LYS CG HG3 SING N N 220 +LYS CD CE SING N N 221 +LYS CD HD2 SING N N 222 +LYS CD HD3 SING N N 223 +LYS CE NZ SING N N 224 +LYS CE HE2 SING N N 225 +LYS CE HE3 SING N N 226 +LYS NZ HZ1 SING N N 227 +LYS NZ HZ2 SING N N 228 +LYS NZ HZ3 SING N N 229 +LYS OXT HXT SING N N 230 +MET N CA SING N N 231 +MET N H SING N N 232 +MET N H2 SING N N 233 +MET CA C SING N N 234 +MET CA CB SING N N 235 +MET CA HA SING N N 236 +MET C O DOUB N N 237 +MET C OXT SING N N 238 +MET CB CG SING N N 239 +MET CB HB2 SING N N 240 +MET CB HB3 SING N N 241 +MET CG SD SING N N 242 +MET CG HG2 SING N N 243 +MET CG HG3 SING N N 244 +MET SD CE SING N N 245 +MET CE HE1 SING N N 246 +MET CE HE2 SING N N 247 +MET CE HE3 SING N N 248 +MET OXT HXT SING N N 249 +PHE N CA SING N N 250 +PHE N H SING N N 251 +PHE N H2 SING N N 252 +PHE CA C SING N N 253 +PHE CA CB SING N N 254 +PHE CA HA SING N N 255 +PHE C O DOUB N N 256 +PHE C OXT SING N N 257 +PHE CB CG SING N N 258 +PHE CB HB2 SING N N 259 +PHE CB HB3 SING N N 260 +PHE CG CD1 DOUB Y N 261 +PHE CG CD2 SING Y N 262 +PHE CD1 CE1 SING Y N 263 +PHE CD1 HD1 SING N N 264 +PHE CD2 CE2 DOUB Y N 265 +PHE CD2 HD2 SING N N 266 +PHE CE1 CZ DOUB Y N 267 +PHE CE1 HE1 SING N N 268 +PHE CE2 CZ SING Y N 269 +PHE CE2 HE2 SING N N 270 +PHE CZ HZ SING N N 271 +PHE OXT HXT SING N N 272 +PO4 P O1 DOUB N N 273 +PO4 P O2 SING N N 274 +PO4 P O3 SING N N 275 +PO4 P O4 SING N N 276 +PRO N CA SING N N 277 +PRO N CD SING N N 278 +PRO N H SING N N 279 +PRO CA C SING N N 280 +PRO CA CB SING N N 281 +PRO CA HA SING N N 282 +PRO C O DOUB N N 283 +PRO C OXT SING N N 284 +PRO CB CG SING N N 285 +PRO CB HB2 SING N N 286 +PRO CB HB3 SING N N 287 +PRO CG CD SING N N 288 +PRO CG HG2 SING N N 289 +PRO CG HG3 SING N N 290 +PRO CD HD2 SING N N 291 +PRO CD HD3 SING N N 292 +PRO OXT HXT SING N N 293 +PYR C O doub ? N 294 +PYR C OXT sing ? N 295 +PYR C CA sing ? N 296 +PYR CA O3 doub ? N 297 +PYR CA CB sing ? N 298 +PYR CB HB1 sing ? N 299 +PYR CB HB2 sing ? N 300 +PYR CB HB3 sing ? N 301 +SAH N CA sing ? N 302 +SAH N HN1 sing ? N 303 +SAH N HN2 sing ? N 304 +SAH CA CB sing ? N 305 +SAH CA C sing ? N 306 +SAH CA HA sing ? N 307 +SAH CB CG sing ? N 308 +SAH CB HB1 sing ? N 309 +SAH CB HB2 sing ? N 310 +SAH CG SD sing ? N 311 +SAH CG HG1 sing ? N 312 +SAH CG HG2 sing ? N 313 +SAH SD C5' sing ? N 314 +SAH C O doub ? N 315 +SAH C OXT sing ? N 316 +SAH C5' C4' sing ? N 317 +SAH C5' H5'1 sing ? N 318 +SAH C5' H5'2 sing ? N 319 +SAH C4' O4' sing ? N 320 +SAH C4' C3' sing ? N 321 +SAH C4' H4' sing ? N 322 +SAH O4' C1' sing ? N 323 +SAH C3' O3' sing ? N 324 +SAH C3' C2' sing ? N 325 +SAH C3' H3' sing ? N 326 +SAH O3' HO3' sing ? N 327 +SAH C2' O2' sing ? N 328 +SAH C2' C1' sing ? N 329 +SAH C2' H2' sing ? N 330 +SAH O2' HO2' sing ? N 331 +SAH C1' N9 sing ? N 332 +SAH C1' H1' sing ? N 333 +SAH N9 C8 sing ? N 334 +SAH N9 C4 sing ? N 335 +SAH C8 N7 doub ? N 336 +SAH C8 H8 sing ? N 337 +SAH N7 C5 sing ? N 338 +SAH C5 C6 sing ? N 339 +SAH C5 C4 doub ? N 340 +SAH C6 N6 sing ? N 341 +SAH C6 N1 doub ? N 342 +SAH N6 HN61 sing ? N 343 +SAH N6 HN62 sing ? N 344 +SAH N1 C2 sing ? N 345 +SAH C2 N3 doub ? N 346 +SAH C2 H2 sing ? N 347 +SAH N3 C4 sing ? N 348 +SER N CA SING N N 349 +SER N H SING N N 350 +SER N H2 SING N N 351 +SER CA C SING N N 352 +SER CA CB SING N N 353 +SER CA HA SING N N 354 +SER C O DOUB N N 355 +SER C OXT SING N N 356 +SER CB OG SING N N 357 +SER CB HB2 SING N N 358 +SER CB HB3 SING N N 359 +SER OG HG SING N N 360 +SER OXT HXT SING N N 361 +SF4 FE1 S2 sing ? N 362 +SF4 FE1 S3 sing ? N 363 +SF4 FE1 S4 sing ? N 364 +SF4 FE2 S1 sing ? N 365 +SF4 FE2 S3 sing ? N 366 +SF4 FE2 S4 sing ? N 367 +SF4 FE3 S1 sing ? N 368 +SF4 FE3 S2 sing ? N 369 +SF4 FE3 S4 sing ? N 370 +SF4 FE4 S1 sing ? N 371 +SF4 FE4 S2 sing ? N 372 +SF4 FE4 S3 sing ? N 373 +THR N CA SING N N 374 +THR N H SING N N 375 +THR N H2 SING N N 376 +THR CA C SING N N 377 +THR CA CB SING N N 378 +THR CA HA SING N N 379 +THR C O DOUB N N 380 +THR C OXT SING N N 381 +THR CB OG1 SING N N 382 +THR CB CG2 SING N N 383 +THR CB HB SING N N 384 +THR OG1 HG1 SING N N 385 +THR CG2 HG21 SING N N 386 +THR CG2 HG22 SING N N 387 +THR CG2 HG23 SING N N 388 +THR OXT HXT SING N N 389 +TRP N CA SING N N 390 +TRP N H SING N N 391 +TRP N H2 SING N N 392 +TRP CA C SING N N 393 +TRP CA CB SING N N 394 +TRP CA HA SING N N 395 +TRP C O DOUB N N 396 +TRP C OXT SING N N 397 +TRP CB CG SING N N 398 +TRP CB HB2 SING N N 399 +TRP CB HB3 SING N N 400 +TRP CG CD1 DOUB Y N 401 +TRP CG CD2 SING Y N 402 +TRP CD1 NE1 SING Y N 403 +TRP CD1 HD1 SING N N 404 +TRP CD2 CE2 DOUB Y N 405 +TRP CD2 CE3 SING Y N 406 +TRP NE1 CE2 SING Y N 407 +TRP NE1 HE1 SING N N 408 +TRP CE2 CZ2 SING Y N 409 +TRP CE3 CZ3 DOUB Y N 410 +TRP CE3 HE3 SING N N 411 +TRP CZ2 CH2 DOUB Y N 412 +TRP CZ2 HZ2 SING N N 413 +TRP CZ3 CH2 SING Y N 414 +TRP CZ3 HZ3 SING N N 415 +TRP CH2 HH2 SING N N 416 +TRP OXT HXT SING N N 417 +TYR N CA SING N N 418 +TYR N H SING N N 419 +TYR N H2 SING N N 420 +TYR CA C SING N N 421 +TYR CA CB SING N N 422 +TYR CA HA SING N N 423 +TYR C O DOUB N N 424 +TYR C OXT SING N N 425 +TYR CB CG SING N N 426 +TYR CB HB2 SING N N 427 +TYR CB HB3 SING N N 428 +TYR CG CD1 DOUB Y N 429 +TYR CG CD2 SING Y N 430 +TYR CD1 CE1 SING Y N 431 +TYR CD1 HD1 SING N N 432 +TYR CD2 CE2 DOUB Y N 433 +TYR CD2 HD2 SING N N 434 +TYR CE1 CZ DOUB Y N 435 +TYR CE1 HE1 SING N N 436 +TYR CE2 CZ SING Y N 437 +TYR CE2 HE2 SING N N 438 +TYR CZ OH SING N N 439 +TYR OH HH SING N N 440 +TYR OXT HXT SING N N 441 +VAL N CA SING N N 442 +VAL N H SING N N 443 +VAL N H2 SING N N 444 +VAL CA C SING N N 445 +VAL CA CB SING N N 446 +VAL CA HA SING N N 447 +VAL C O DOUB N N 448 +VAL C OXT SING N N 449 +VAL CB CG1 SING N N 450 +VAL CB CG2 SING N N 451 +VAL CB HB SING N N 452 +VAL CG1 HG11 SING N N 453 +VAL CG1 HG12 SING N N 454 +VAL CG1 HG13 SING N N 455 +VAL CG2 HG21 SING N N 456 +VAL CG2 HG22 SING N N 457 +VAL CG2 HG23 SING N N 458 +VAL OXT HXT SING N N 459 # loop_ _struct_conn.id diff --git a/tests/test_data/write_sdf.sdf b/tests/test_data/write_sdf.sdf index 02aa5ac..34f30bd 100644 --- a/tests/test_data/write_sdf.sdf +++ b/tests/test_data/write_sdf.sdf @@ -1,37 +1,37 @@ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8808 13.9518 -23.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4397 13.6964 -22.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5965 14.6222 -23.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5390 13.8423 -25.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3799 12.6165 -24.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1246 12.4207 -23.3545 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0118 11.4866 -25.5152 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3849 11.4015 -26.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9156 10.2640 -27.3344 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2402 9.6276 -26.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3053 10.3930 -25.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7139 10.0074 -24.0986 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0508 8.8268 -24.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9700 8.0524 -25.2011 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5563 8.4294 -26.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5196 7.6758 -27.5351 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1785 14.5136 -26.0401 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3196 15.7802 -23.8941 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0160 14.8739 -23.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.5677 13.8909 -22.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2113 13.7837 -21.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6084 14.7787 -23.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5017 13.5706 -25.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4630 12.8182 -24.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9765 12.1160 -27.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5462 8.4498 -23.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9566 8.0104 -28.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0435 6.7907 -27.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6184 15.2067 -26.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9419 16.3741 -24.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.8808 13.9518 -23.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.4397 13.6964 -22.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.5965 14.6222 -23.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.5390 13.8423 -25.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.3799 12.6165 -24.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.1246 12.4207 -23.3545 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.0118 11.4866 -25.5152 N 0 0 0 0 0 0 0 0 0 0 0 0 + -12.3849 11.4015 -26.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9156 10.2640 -27.3344 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.2402 9.6276 -26.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3053 10.3930 -25.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.7139 10.0074 -24.0986 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.0508 8.8268 -24.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.9700 8.0524 -25.2011 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.5563 8.4294 -26.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.5196 7.6758 -27.5351 N 0 0 0 0 0 0 0 0 0 0 0 0 + -12.1785 14.5136 -26.0401 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.3196 15.7802 -23.8941 O 0 0 0 0 0 0 0 0 0 0 0 0 + -14.0160 14.8739 -23.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.5677 13.8909 -22.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.2113 13.7837 -21.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.6084 14.7787 -23.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.5017 13.5706 -25.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.4630 12.8182 -24.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.9765 12.1160 -27.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.5462 8.4498 -23.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.9566 8.0104 -28.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0435 6.7907 -27.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.6184 15.2067 -26.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9419 16.3741 -24.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -67,39 +67,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.3229 15.3445 -22.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4265 14.4526 -24.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8314 14.5032 -24.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3839 13.1612 -24.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1573 12.3393 -24.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1197 13.1813 -23.7603 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8431 11.5014 -25.1823 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1068 11.6655 -26.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6212 10.6186 -27.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0353 9.7635 -26.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1841 10.3322 -25.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6593 9.6327 -24.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0399 8.4734 -24.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9108 7.9468 -25.4455 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3950 8.5576 -26.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2349 7.9624 -27.8278 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2992 12.6494 -25.1254 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5557 15.5223 -24.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0039 16.1978 -23.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2587 15.6656 -22.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6986 14.7931 -24.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9125 14.6860 -25.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8816 13.2890 -23.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3114 11.6738 -23.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6341 12.5264 -26.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6364 7.9470 -23.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9669 8.5427 -28.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3848 6.9403 -27.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.5591 13.3907 -25.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1607 15.1157 -23.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3229 15.3445 -22.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.4265 14.4526 -24.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.8314 14.5032 -24.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 + -13.3839 13.1612 -24.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.1573 12.3393 -24.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1197 13.1813 -23.7603 O 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8431 11.5014 -25.1823 N 0 0 0 0 0 0 0 0 0 0 0 0 + -12.1068 11.6655 -26.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.6212 10.6186 -27.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0353 9.7635 -26.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1841 10.3322 -25.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.6593 9.6327 -24.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.0399 8.4734 -24.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.9108 7.9468 -25.4455 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.3950 8.5576 -26.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.2349 7.9624 -27.8278 N 0 0 0 0 0 0 0 0 0 0 0 0 + -14.2992 12.6494 -25.1254 O 0 0 0 0 0 0 0 0 0 0 0 0 + -13.5557 15.5223 -24.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.0039 16.1978 -23.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.2587 15.6656 -22.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.6986 14.7931 -24.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.9125 14.6860 -25.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.8816 13.2890 -23.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.3114 11.6738 -23.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.6341 12.5264 -26.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.6364 7.9470 -23.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.9669 8.5427 -28.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.3848 6.9403 -27.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.5591 13.3907 -25.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.1607 15.1157 -23.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -135,39 +135,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0268 15.1395 -24.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7639 14.5301 -24.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6638 14.4267 -23.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6259 12.9725 -23.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7202 12.3708 -24.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0567 13.2591 -25.3055 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4290 11.1035 -24.8976 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3389 10.1223 -25.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7804 9.0573 -25.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4980 9.3245 -25.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3031 10.6249 -25.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1117 11.1913 -25.5401 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0817 10.5451 -26.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2757 9.2965 -26.5724 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4479 8.6474 -26.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6870 7.3332 -26.9747 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8954 12.8676 -22.1229 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4207 14.7956 -24.3941 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8570 15.6747 -23.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.5994 15.7126 -25.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3771 15.1872 -25.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8821 15.0722 -22.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6261 12.5278 -23.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6312 12.3152 -23.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3888 10.1799 -24.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 - -8.0940 11.0334 -26.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0457 7.2147 -27.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5039 6.4970 -26.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8579 12.8286 -21.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6135 15.3067 -25.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.0268 15.1395 -24.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.7639 14.5301 -24.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.6638 14.4267 -23.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.6259 12.9725 -23.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.7202 12.3708 -24.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 + -13.0567 13.2591 -25.3055 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.4290 11.1035 -24.8976 N 0 0 0 0 0 0 0 0 0 0 0 0 + -13.3389 10.1223 -25.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.7804 9.0573 -25.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.4980 9.3245 -25.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3031 10.6249 -25.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.1117 11.1913 -25.5401 N 0 0 0 0 0 0 0 0 0 0 0 0 + -9.0817 10.5451 -26.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.2757 9.2965 -26.5724 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.4479 8.6474 -26.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.6870 7.3332 -26.9747 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8954 12.8676 -22.1229 O 0 0 0 0 0 0 0 0 0 0 0 0 + -10.4207 14.7956 -24.3941 O 0 0 0 0 0 0 0 0 0 0 0 0 + -13.8570 15.6747 -23.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.5994 15.7126 -25.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.3771 15.1872 -25.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8821 15.0722 -22.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.6261 12.5278 -23.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.6312 12.3152 -23.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.3888 10.1799 -24.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 + -8.0940 11.0334 -26.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0457 7.2147 -27.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.5039 6.4970 -26.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.8579 12.8286 -21.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.6135 15.3067 -25.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -203,39 +203,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0743 14.2686 -21.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7939 13.9718 -23.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6824 14.7818 -24.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5333 13.9383 -25.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5143 12.5617 -24.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9290 12.6574 -23.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9148 11.5805 -25.6876 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7271 11.7039 -26.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1380 10.5706 -27.4376 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9644 9.7449 -26.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4611 10.3930 -25.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4275 9.8177 -24.0834 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9125 8.5931 -23.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4252 7.9516 -24.9939 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4292 8.4782 -26.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9122 7.7883 -27.3547 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3004 14.1408 -26.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9875 14.6656 -23.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8429 15.3393 -21.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1455 14.0759 -21.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7429 14.2778 -23.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3223 15.7996 -24.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3788 14.0832 -26.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5917 12.2767 -24.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9865 12.5496 -27.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8846 8.1209 -22.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5288 7.3809 -28.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8859 7.6821 -27.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0119 15.0788 -26.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2279 15.2452 -23.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.0743 14.2686 -21.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.7939 13.9718 -23.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.6824 14.7818 -24.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.5333 13.9383 -25.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.5143 12.5617 -24.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9290 12.6574 -23.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9148 11.5805 -25.6876 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.7271 11.7039 -26.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1380 10.5706 -27.4376 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.9644 9.7449 -26.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.4611 10.3930 -25.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.4275 9.8177 -24.0834 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.9125 8.5931 -23.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.4252 7.9516 -24.9939 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.4292 8.4782 -26.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.9122 7.7883 -27.3547 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3004 14.1408 -26.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 + -13.9875 14.6656 -23.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8429 15.3393 -21.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.1455 14.0759 -21.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.7429 14.2778 -23.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.3223 15.7996 -24.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.3788 14.0832 -26.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.5917 12.2767 -24.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9865 12.5496 -27.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.8846 8.1209 -22.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.5288 7.3809 -28.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 + -8.8859 7.6821 -27.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0119 15.0788 -26.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.2279 15.2452 -23.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -271,39 +271,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4584 15.6367 -25.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2987 14.3742 -24.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0099 14.4088 -23.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4859 12.9763 -23.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6684 12.3058 -24.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1486 13.2668 -25.1738 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3999 11.0433 -24.8869 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3124 10.0599 -24.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7456 9.0029 -25.6073 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4797 9.3351 -25.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2427 10.6101 -25.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0417 11.1407 -25.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0248 10.4796 -26.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2796 9.2359 -26.6333 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4640 8.6223 -26.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7061 7.3056 -26.9592 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1932 12.4836 -22.4083 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1675 15.3206 -24.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.7244 15.3506 -25.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2138 14.4790 -23.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2943 14.0293 -23.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9129 12.8507 -23.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1122 12.8317 -25.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8440 13.2494 -24.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0528 11.5605 -25.6772 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8925 11.0875 -26.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5184 9.8507 -26.9892 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4158 9.5270 -26.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1386 10.6087 -25.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0704 10.5168 -24.6355 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3133 9.3986 -24.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5795 8.3446 -25.4225 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6348 8.4031 -26.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9577 7.3146 -27.1052 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2518 13.1547 -23.9609 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1998 15.0505 -22.8195 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0002 16.0559 -25.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7403 15.7154 -24.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3613 14.9242 -23.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8871 13.7389 -22.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7410 11.9468 -23.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5396 13.5937 -25.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7439 11.6198 -27.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 - -8.4679 9.4089 -23.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5525 6.3596 -26.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5784 7.4489 -27.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.7392 12.3824 -24.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6895 15.9138 -22.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.7244 15.3506 -25.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.2138 14.4790 -23.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.2943 14.0293 -23.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.9129 12.8507 -23.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.1122 12.8317 -25.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.8440 13.2494 -24.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.0528 11.5605 -25.6772 N 0 0 0 0 0 0 0 0 0 0 0 0 + -12.8925 11.0875 -26.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.5184 9.8507 -26.9892 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.4158 9.5270 -26.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1386 10.6087 -25.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.0704 10.5168 -24.6355 N 0 0 0 0 0 0 0 0 0 0 0 0 + -9.3133 9.3986 -24.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.5795 8.3446 -25.4225 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.6348 8.4031 -26.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.9577 7.3146 -27.1052 N 0 0 0 0 0 0 0 0 0 0 0 0 + -14.2518 13.1547 -23.9609 O 0 0 0 0 0 0 0 0 0 0 0 0 + -13.1998 15.0505 -22.8195 O 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0002 16.0559 -25.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.7403 15.7154 -24.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.3613 14.9242 -23.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8871 13.7389 -22.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.7410 11.9468 -23.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.5396 13.5937 -25.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.7439 11.6198 -27.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 + -8.4679 9.4089 -23.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.5525 6.3596 -26.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.5784 7.4489 -27.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.7392 12.3824 -24.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.6895 15.9138 -22.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -407,39 +407,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.2848 14.1913 -22.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1447 13.7024 -23.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9768 14.5828 -24.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6182 14.1333 -24.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5376 12.7346 -24.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6470 12.4920 -23.6514 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5006 11.7244 -25.4636 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8201 11.7710 -26.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6298 10.5726 -27.3472 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1774 9.7373 -26.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0996 10.4619 -25.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6622 9.8402 -24.0924 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3186 8.5608 -24.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3972 7.8679 -25.2553 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8156 8.3978 -26.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9098 7.6934 -27.6321 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6737 14.9336 -24.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9134 14.2108 -25.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5002 14.6651 -23.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6375 13.9847 -24.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4204 14.8511 -24.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4581 13.7967 -25.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9118 12.5654 -24.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1559 12.7752 -23.7726 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9043 11.4126 -25.2092 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7580 11.1640 -26.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4481 10.0071 -26.8234 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3587 9.5172 -26.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0218 10.3967 -25.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9470 10.0935 -24.4496 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2376 8.9731 -24.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5756 8.1218 -25.6684 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6492 8.3598 -26.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0195 7.4767 -27.5101 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1560 14.1594 -24.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9671 15.2879 -23.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 - -15.5700 14.3704 -23.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1940 14.3508 -22.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2558 13.8762 -25.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5930 15.6690 -25.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6689 13.7649 -26.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2109 12.3791 -23.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5874 11.8044 -26.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 - -8.3560 8.7090 -24.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9995 7.2443 -27.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2668 7.0365 -28.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8114 14.5966 -25.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9894 14.5044 -22.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.5002 14.6651 -23.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 + -13.6375 13.9847 -24.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.4204 14.8511 -24.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.4581 13.7967 -25.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9118 12.5654 -24.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 + -13.1559 12.7752 -23.7726 O 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9043 11.4126 -25.2092 N 0 0 0 0 0 0 0 0 0 0 0 0 + -12.7580 11.1640 -26.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.4481 10.0071 -26.8234 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3587 9.5172 -26.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0218 10.3967 -25.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.9470 10.0935 -24.4496 N 0 0 0 0 0 0 0 0 0 0 0 0 + -9.2376 8.9731 -24.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.5756 8.1218 -25.6684 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.6492 8.3598 -26.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0195 7.4767 -27.5101 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.1560 14.1594 -24.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9671 15.2879 -23.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 + -15.5700 14.3704 -23.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.1940 14.3508 -22.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.2558 13.8762 -25.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.5930 15.6690 -25.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.6689 13.7649 -26.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.2109 12.3791 -23.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.5874 11.8044 -26.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 + -8.3560 8.7090 -24.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9995 7.2443 -27.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.2668 7.0365 -28.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.8114 14.5966 -25.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9894 14.5044 -22.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -543,39 +543,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9958 14.0043 -21.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1072 13.8043 -23.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0361 14.5169 -24.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3498 13.9006 -25.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0023 12.6147 -25.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9224 12.4947 -23.6648 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3704 11.5290 -25.7426 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5707 11.2725 -27.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8443 10.1945 -27.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1879 9.7774 -26.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5130 10.6069 -25.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9868 10.4151 -24.0569 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1363 9.3807 -23.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8034 8.5565 -24.9198 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3093 8.7165 -26.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9917 7.8823 -27.2501 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2298 13.7597 -26.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7701 14.1815 -23.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0861 13.6928 -21.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5401 14.8379 -21.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0734 14.1769 -23.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1849 15.6070 -24.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1270 14.5706 -25.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0886 12.6074 -25.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2020 11.8061 -27.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6792 9.1724 -22.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0133 7.7914 -27.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7059 7.2990 -27.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2283 14.5298 -26.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8043 13.5486 -22.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.9958 14.0043 -21.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 + -13.1072 13.8043 -23.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.0361 14.5169 -24.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.3498 13.9006 -25.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 + -13.0023 12.6147 -25.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.9224 12.4947 -23.6648 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.3704 11.5290 -25.7426 N 0 0 0 0 0 0 0 0 0 0 0 0 + -12.5707 11.2725 -27.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8443 10.1945 -27.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1879 9.7774 -26.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.5130 10.6069 -25.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.9868 10.4151 -24.0569 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.1363 9.3807 -23.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.8034 8.5565 -24.9198 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.3093 8.7165 -26.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.9917 7.8823 -27.2501 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.2298 13.7597 -26.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 + -10.7701 14.1815 -23.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.0861 13.6928 -21.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.5401 14.8379 -21.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.0734 14.1769 -23.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.1849 15.6070 -24.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.1270 14.5706 -25.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.0886 12.6074 -25.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.2020 11.8061 -27.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.6792 9.1724 -22.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.0133 7.7914 -27.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.7059 7.2990 -27.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.2283 14.5298 -26.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.8043 13.5486 -22.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -611,39 +611,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0217 14.4382 -25.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5778 14.7816 -24.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3353 14.5974 -23.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3835 13.0623 -23.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5538 12.8080 -24.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7666 13.8470 -25.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8001 11.5128 -25.1126 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9646 10.9707 -25.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7671 9.7240 -25.9503 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4578 9.4861 -25.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8617 10.5945 -25.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5115 10.5828 -25.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7919 9.4941 -25.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4085 8.4112 -26.1714 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7380 8.3576 -26.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4306 7.2625 -26.8449 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7010 12.6913 -23.4489 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0554 14.9859 -23.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5205 15.0947 -25.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2435 14.7073 -24.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4993 14.3352 -23.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4069 12.8220 -23.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7173 12.6046 -24.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7872 13.5190 -25.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4785 11.2686 -25.2615 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4429 10.3481 -25.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8910 9.1840 -25.8428 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5660 9.3405 -25.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3179 10.6646 -25.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0707 11.1723 -25.5075 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0329 10.3767 -25.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2687 9.0927 -26.1969 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4872 8.5640 -26.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7469 7.2132 -26.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0883 12.4080 -23.1721 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5610 14.8926 -22.4722 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.3125 13.0119 -21.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4094 13.6602 -23.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1085 13.8149 -24.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8954 14.2214 -25.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8806 13.2582 -24.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3229 12.8854 -23.3496 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8127 12.1132 -25.4661 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4415 12.1759 -26.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5068 10.9135 -27.2244 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9047 10.0736 -26.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1006 10.8446 -25.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5112 10.2396 -23.9819 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7253 8.9120 -23.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5322 8.1674 -25.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1269 8.7039 -26.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9125 7.9613 -27.3851 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0829 14.0560 -26.5248 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5404 12.5950 -24.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4300 15.0123 -23.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4093 13.8967 -23.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0241 14.4967 -23.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2888 13.2919 -24.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3684 12.8089 -25.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5821 13.0223 -24.6135 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1714 11.4641 -25.6869 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0983 10.8113 -26.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6454 9.5814 -26.6992 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4372 9.4502 -26.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1359 10.6330 -25.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9754 10.7678 -24.8968 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1146 9.7204 -24.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3925 8.5584 -25.5252 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5654 8.3801 -26.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8649 7.1614 -26.8267 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1437 13.6928 -24.9797 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4797 14.8581 -22.4847 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.3425 15.8098 -23.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8792 14.4179 -23.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3118 14.3201 -23.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4027 12.8087 -23.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9624 12.4294 -24.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2166 13.6082 -24.1484 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7077 11.5480 -25.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0440 11.7265 -26.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6237 10.6650 -27.1916 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0064 9.7851 -26.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0730 10.3629 -25.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5196 9.6747 -24.1006 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9324 8.4911 -24.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8663 7.9204 -25.5245 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4016 8.5577 -26.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3364 7.9732 -27.8675 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1213 12.5061 -25.1172 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3792 15.0033 -24.9589 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1462 14.8306 -22.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6310 13.8998 -24.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4244 14.4942 -24.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3056 13.6222 -24.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0294 12.3502 -23.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3254 12.6714 -23.5894 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9592 11.3879 -24.9602 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7508 11.3216 -26.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3725 10.2873 -26.8183 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3145 9.6586 -26.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0810 10.3745 -25.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0589 9.9324 -24.3103 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3049 8.8690 -24.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5638 8.1925 -25.7896 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5605 8.5694 -26.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7942 7.8348 -27.7854 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2686 13.4707 -25.0989 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2362 15.8411 -24.4001 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.2848 13.9468 -21.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9052 13.7708 -23.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4428 14.8581 -24.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9433 14.0353 -25.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4434 12.8055 -24.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4862 12.5668 -23.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2537 11.7179 -25.4509 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2484 11.8296 -26.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0445 10.6142 -27.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9207 9.7317 -26.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0511 10.4204 -25.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9602 9.7281 -24.0081 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7474 8.3983 -24.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6202 7.7301 -25.1863 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7006 8.3602 -26.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5773 7.7231 -27.6149 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0432 13.6416 -26.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4537 15.7295 -24.4581 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6029 15.0179 -25.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9555 13.6431 -25.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4668 13.8260 -24.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2247 13.0586 -23.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3777 12.1146 -23.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4379 12.9606 -23.9487 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3218 11.0523 -24.5042 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3745 10.3705 -24.9613 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9488 9.4456 -25.8519 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6265 9.5359 -25.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2411 10.5620 -25.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9392 10.8354 -25.0465 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9962 10.1939 -25.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3410 9.2018 -26.5971 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6465 8.8716 -26.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1063 7.8408 -27.5585 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3644 13.9153 -22.4633 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1551 15.1620 -24.6133 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3487 14.6900 -24.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8486 14.7702 -24.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1062 14.6526 -23.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9437 13.1323 -23.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6326 12.8959 -25.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4890 13.7189 -25.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8028 11.4911 -25.3584 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0293 10.9136 -25.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8221 9.6316 -25.6971 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5036 9.3969 -25.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8510 10.5738 -25.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4961 10.6784 -25.6904 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8269 9.5463 -25.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4450 8.3707 -26.1986 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7704 8.2628 -26.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4853 7.0485 -26.3515 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9199 12.7389 -22.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8057 15.0957 -22.5432 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.5725 14.2005 -21.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5877 13.9453 -23.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7422 14.6572 -23.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8388 13.7847 -25.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5409 12.4395 -24.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7676 12.6083 -23.5519 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9081 11.5413 -25.6029 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6761 11.6821 -26.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0589 10.5913 -27.3842 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8884 9.7288 -26.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4269 10.3387 -25.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3720 9.6562 -24.1021 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8257 8.4461 -24.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3023 7.8587 -25.1183 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3164 8.4745 -26.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7575 7.8243 -27.4354 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0814 13.8642 -25.8368 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4637 15.9664 -24.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8602 15.9342 -25.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1532 14.7983 -24.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9490 14.4840 -23.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8343 12.9643 -23.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8402 12.6810 -24.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2229 13.6110 -25.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8968 11.3308 -25.1237 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0514 10.6501 -25.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7612 9.4255 -25.7119 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4271 9.3382 -25.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8898 10.5517 -25.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5596 10.7000 -25.5977 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7589 9.6877 -26.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3012 8.5117 -26.4064 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6484 8.2981 -26.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2338 7.0620 -26.7182 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3646 12.5665 -22.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3744 15.0130 -22.4865 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1462 15.4048 -24.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2682 14.2302 -23.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8037 14.5120 -24.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2345 13.1031 -23.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4884 12.2623 -24.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5051 13.1347 -24.5056 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3364 11.1365 -24.9407 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3400 10.5092 -25.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8385 9.4940 -26.3025 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5068 9.4898 -26.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1846 10.5229 -25.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8861 10.6908 -24.9462 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8998 9.9142 -25.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1993 8.9046 -26.2536 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4819 8.6913 -26.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8378 7.6265 -27.4889 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5323 12.9281 -22.8256 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6373 15.0530 -25.2542 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.3760 15.1318 -25.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4860 14.6327 -24.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9335 14.4557 -23.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0395 13.0068 -23.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7268 12.4216 -23.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8404 13.4313 -23.9809 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8002 11.5192 -24.8512 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6423 11.5366 -25.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3691 10.4920 -26.7301 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3475 9.8065 -26.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0024 10.4524 -25.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9838 9.9413 -24.3317 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3170 8.8440 -24.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6792 8.2364 -25.8694 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6847 8.6709 -26.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0269 7.9905 -27.8528 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1385 12.3720 -23.8764 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7334 14.6664 -24.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4493 14.6565 -22.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1913 13.9529 -23.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2498 14.8081 -24.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3622 13.7298 -24.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0748 12.4720 -24.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4143 12.8818 -24.1657 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9556 11.4116 -25.3029 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6416 11.2332 -26.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2218 10.1127 -27.0371 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2541 9.5255 -26.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0962 10.3557 -25.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1778 10.0239 -24.2653 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4350 8.9039 -24.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5900 8.0958 -25.4619 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4916 8.3821 -26.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6713 7.5386 -27.5613 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3164 13.9226 -26.1223 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5339 15.6014 -23.2128 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2404 14.3913 -23.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9231 13.6374 -22.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7613 14.4352 -23.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1364 13.4360 -24.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4179 12.7210 -24.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0189 12.4814 -23.6693 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1541 11.5416 -25.6452 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7567 11.2004 -26.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2725 10.0331 -27.2385 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3531 9.5900 -26.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2833 10.5446 -25.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4321 10.3946 -24.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6646 9.2911 -24.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7237 8.3528 -25.2618 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5543 8.4736 -26.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6552 7.5187 -27.3547 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5601 14.0665 -25.5271 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2193 15.4986 -24.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3290 14.4547 -23.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9040 13.9208 -23.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0751 14.8492 -23.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9288 14.0152 -25.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7903 12.6560 -24.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8777 12.6738 -23.6878 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7370 11.5704 -25.4301 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3533 11.4364 -26.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0298 10.2346 -27.1553 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1941 9.5873 -26.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0244 10.4348 -25.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2233 10.0456 -24.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6203 8.8489 -24.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7923 8.0128 -25.3432 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5775 8.3507 -26.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7515 7.4760 -27.4824 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1186 14.1284 -25.9083 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7999 14.9123 -23.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2633 13.8647 -22.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7388 13.7386 -22.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2263 14.8145 -23.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9497 13.9905 -25.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4812 12.7021 -24.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4205 12.5227 -23.4603 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4523 11.6297 -25.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8431 11.6863 -26.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6668 10.4866 -27.2725 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1619 9.6380 -26.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0291 10.3743 -25.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5346 9.7469 -24.1217 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1725 8.4569 -24.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2898 7.7148 -25.2823 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7820 8.3105 -26.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9271 7.5870 -27.5914 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0107 14.5672 -25.9181 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1773 15.7766 -24.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2051 13.9023 -21.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1170 13.8766 -22.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3730 14.8447 -24.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9055 14.0730 -25.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2436 12.8731 -24.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1241 12.6281 -23.6096 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1483 11.7827 -25.5831 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1768 11.8661 -26.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0589 10.6147 -27.3991 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9553 9.7333 -26.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0132 10.4866 -25.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9312 9.8449 -24.0291 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7967 8.5081 -23.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7409 7.7776 -25.1088 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8170 8.3568 -26.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7559 7.5692 -27.4851 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0436 13.6957 -26.0289 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7209 15.1746 -24.1882 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4233 14.2551 -21.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8171 13.9856 -23.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5592 14.8028 -24.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5190 13.8918 -25.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5246 12.5268 -24.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8543 12.6726 -23.5705 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9391 11.5546 -25.6481 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7965 11.6838 -26.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2070 10.5487 -27.4101 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9872 9.7312 -26.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4530 10.3678 -25.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3415 9.7376 -24.0458 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7948 8.5144 -23.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3440 7.9066 -25.0407 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4230 8.4765 -26.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9594 7.8618 -27.4432 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2976 14.1261 -26.0586 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8863 14.9644 -23.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1185 13.7838 -21.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2954 13.4639 -23.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2513 14.6389 -23.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8758 13.9046 -25.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6519 12.6159 -25.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7260 12.3737 -23.7065 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1140 11.5317 -25.8137 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1632 11.3720 -27.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5496 10.2305 -27.4994 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1107 9.6686 -26.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4577 10.4721 -25.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1167 10.1042 -24.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4469 8.9650 -23.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1039 8.1743 -24.9141 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4188 8.4898 -26.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0497 7.6435 -27.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3481 14.5840 -26.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3290 15.5917 -23.6187 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3496 14.6328 -24.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2220 14.1721 -23.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9156 14.4852 -24.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0337 13.3583 -23.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0203 12.2861 -23.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2539 12.8406 -23.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1173 11.2798 -24.7138 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1759 10.9449 -25.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8511 9.9640 -26.3292 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5456 9.6909 -26.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0888 10.5040 -25.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8022 10.3703 -24.7219 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9834 9.4755 -25.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4394 8.6771 -26.2874 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7096 8.7734 -26.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2213 7.9474 -27.7232 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3270 13.7790 -22.8792 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0703 14.4266 -25.8522 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1739 14.3319 -22.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8752 13.8770 -22.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3333 14.8265 -24.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2231 13.9651 -24.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6706 12.5855 -24.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9734 12.7026 -23.6983 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5810 11.6239 -25.2586 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9732 11.7321 -26.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6996 10.5819 -27.1947 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1305 9.7087 -26.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0640 10.3762 -25.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5169 9.6845 -24.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0636 8.4381 -24.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1463 7.8167 -25.4255 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6722 8.4185 -26.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7313 7.7158 -27.7334 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9921 14.1595 -25.9118 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3069 15.0636 -25.0062 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5274 13.8967 -23.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0024 13.8700 -23.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4051 14.7625 -24.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1477 13.9966 -24.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4445 12.6012 -24.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5970 12.5909 -23.3059 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4934 11.6547 -25.1438 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0262 11.8748 -26.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8490 10.7325 -27.0474 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2237 9.8088 -26.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9953 10.3890 -25.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3671 9.6781 -24.1219 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9515 8.4105 -24.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1843 7.8507 -25.4966 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8024 8.5073 -26.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0459 7.9149 -27.7585 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8132 14.1216 -25.8118 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2510 14.9473 -25.1832 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.4198 14.6113 -22.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3291 13.8495 -23.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6907 14.7605 -24.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7160 13.7405 -25.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4579 12.9612 -24.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7316 12.7297 -23.5851 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2801 11.7794 -25.6976 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3341 11.7546 -27.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1283 10.5000 -27.4733 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9407 9.7130 -26.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0369 10.5244 -25.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8863 9.9770 -24.0527 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6467 8.6578 -23.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5510 7.8594 -25.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6946 8.3608 -26.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6049 7.5739 -27.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7770 12.8580 -25.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9013 15.3970 -24.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8358 15.4432 -25.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1444 14.5208 -24.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9952 14.4675 -23.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3517 13.1255 -23.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5729 12.3667 -24.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3658 13.2549 -24.8693 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3397 11.1768 -24.9587 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3548 10.5033 -25.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8475 9.4542 -26.1691 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5100 9.4193 -26.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2107 10.5254 -25.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9520 10.7679 -24.9247 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9693 9.9412 -25.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2511 8.8641 -26.1005 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5311 8.5682 -26.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8643 7.4550 -27.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4869 13.3920 -24.8461 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5437 14.3619 -22.1377 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4048 14.0323 -22.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9939 13.9059 -23.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8359 14.4692 -24.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4358 13.9545 -24.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4864 12.6170 -24.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5637 12.6136 -23.4462 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5604 11.5540 -25.2875 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2073 11.5658 -26.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0409 10.3843 -27.0952 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2760 9.5923 -26.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9830 10.3447 -25.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2045 9.7533 -24.2454 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7512 8.4940 -24.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0450 7.7825 -25.5225 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8202 8.3200 -26.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1450 7.5956 -27.6789 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5521 14.7720 -24.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8208 15.8568 -24.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.1273 13.9473 -21.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7183 13.7143 -23.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0206 14.6897 -23.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8901 13.8560 -25.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6380 12.5574 -24.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4116 12.4421 -23.5174 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0066 11.5185 -25.6455 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8553 11.5860 -26.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2321 10.4737 -27.4274 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9753 9.6784 -26.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4711 10.3578 -25.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3496 9.7891 -24.0833 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7568 8.5825 -23.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2684 7.9114 -25.0429 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3678 8.4450 -26.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8729 7.7820 -27.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3682 14.4512 -26.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7970 15.8256 -24.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5737 14.5626 -23.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3492 14.2990 -24.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1592 14.0589 -23.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2545 13.2171 -24.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1450 12.8883 -25.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4660 13.1122 -24.8304 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0655 11.5312 -25.7175 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0403 10.8939 -26.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6881 9.6415 -26.6685 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4693 9.4191 -26.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0912 10.6087 -25.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8899 10.6933 -24.9736 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0853 9.6153 -24.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4547 8.4426 -25.5469 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6451 8.2983 -26.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0337 7.0728 -26.7723 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1528 13.9855 -24.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5633 15.2678 -22.8931 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4265 14.8395 -23.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0584 14.5626 -24.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1036 14.2900 -23.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4628 12.9757 -23.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6850 12.4160 -24.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0719 13.4726 -25.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4140 11.2042 -25.1856 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3326 10.5116 -25.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7796 9.4226 -26.4389 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4826 9.3925 -26.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2689 10.5221 -25.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0453 10.7207 -24.8779 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0159 9.9056 -25.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2410 8.8223 -25.9000 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4420 8.5287 -26.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6810 7.3915 -27.2074 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4682 13.3557 -24.6628 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1476 15.2739 -23.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0583 14.3478 -21.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7308 13.6963 -23.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0349 14.6491 -24.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9626 13.7412 -25.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7178 12.3837 -24.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9094 12.7476 -23.6093 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0688 11.4758 -25.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9534 11.6194 -26.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2709 10.5431 -27.3807 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9464 9.7108 -26.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4698 10.3312 -25.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2705 9.6797 -24.0681 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6094 8.5014 -23.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1053 7.9045 -25.0939 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2719 8.5048 -26.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7737 7.9461 -27.4859 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8667 14.1462 -26.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1064 15.6793 -24.1889 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.9204 14.8967 -23.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1076 13.9465 -22.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2476 14.4430 -23.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2834 13.4137 -24.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8258 12.9454 -24.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6828 12.7370 -23.5442 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6037 11.7744 -25.6886 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8903 11.6491 -26.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5583 10.4219 -27.4318 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0507 9.7400 -26.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0800 10.5924 -25.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6140 10.1167 -24.1681 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1332 8.8657 -24.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1080 8.0330 -25.1461 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5643 8.4565 -26.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5273 7.5772 -27.4354 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0621 12.3195 -24.6157 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8676 15.6794 -24.3955 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.3351 14.0200 -21.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7304 13.6869 -23.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3242 14.7355 -24.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4267 13.9418 -25.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5803 12.5331 -24.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0455 12.5641 -23.5609 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9896 11.5425 -25.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8611 11.6095 -27.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2490 10.4725 -27.4432 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9921 9.6934 -26.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4699 10.3874 -25.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3112 9.7745 -24.0866 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7347 8.5710 -23.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2768 7.9082 -25.0221 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3980 8.4533 -26.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9236 7.7750 -27.3949 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2933 14.1159 -26.1419 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1852 15.8234 -24.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9458 13.8073 -22.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4221 13.7631 -22.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9987 14.8764 -23.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8344 14.0899 -25.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2675 12.8099 -24.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0353 12.5742 -23.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3167 11.7270 -25.5488 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6938 11.7155 -26.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5759 10.4652 -27.3313 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1161 9.6476 -26.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9629 10.4630 -25.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5025 9.8483 -24.1174 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2190 8.5348 -24.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3854 7.7719 -25.1998 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8355 8.2981 -26.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9940 7.4596 -27.4941 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0820 13.8875 -25.7703 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9395 15.8686 -23.9975 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6723 13.6178 -21.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5261 13.6727 -22.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8956 14.6423 -24.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4248 13.8915 -25.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6377 12.7574 -24.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4204 12.4182 -23.6082 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4512 11.6767 -25.6294 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5710 11.7416 -26.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3124 10.5066 -27.4368 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0332 9.6723 -26.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1216 10.4220 -25.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8869 9.8263 -24.0635 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5666 8.5278 -23.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4822 7.8044 -25.0725 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7071 8.3513 -26.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6021 7.5333 -27.4429 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6363 14.7129 -26.1098 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1794 15.8329 -23.9792 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6020 14.0169 -22.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3284 14.3498 -24.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8621 14.7464 -24.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2498 13.3751 -24.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3109 12.8999 -25.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4788 13.1941 -24.8625 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1885 11.5209 -25.8535 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1488 10.8075 -26.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7162 9.5250 -26.6405 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4835 9.4488 -26.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1647 10.7019 -25.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9731 10.9429 -25.0769 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0912 9.9285 -24.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3907 8.6922 -25.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5682 8.4114 -26.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9200 7.1460 -26.5499 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2677 12.6376 -23.3695 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3824 15.2631 -23.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1114 14.0301 -22.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5395 13.7125 -23.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6320 14.8218 -24.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9404 14.0449 -25.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7687 12.7131 -24.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7316 12.6082 -23.6682 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7337 11.6027 -25.5492 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2650 11.4512 -26.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9784 10.2284 -27.2677 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2461 9.6061 -26.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0840 10.4414 -25.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3775 10.0166 -24.1982 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8288 8.7899 -24.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9721 7.9581 -25.2016 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6760 8.3346 -26.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8442 7.4683 -27.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7188 14.6456 -25.6118 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6788 15.1346 -23.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.0550 14.8516 -23.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0125 13.7321 -22.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3301 13.8757 -23.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0658 13.2990 -24.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6017 12.9086 -24.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4857 12.5726 -23.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3590 11.7769 -25.6929 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3157 11.7990 -27.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0667 10.5562 -27.4831 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9585 9.7722 -26.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1405 10.5258 -25.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0729 9.9355 -24.0445 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8298 8.6169 -23.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6562 7.9033 -25.0621 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7090 8.4202 -26.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5200 7.6314 -27.4576 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2345 14.2177 -25.9544 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7135 15.2135 -23.7119 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8161 14.0421 -21.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9387 13.9744 -23.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5793 14.8367 -24.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1890 14.0373 -25.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3981 12.6316 -24.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7899 12.7147 -23.6002 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9163 11.6074 -25.6813 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8554 11.6209 -27.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3315 10.4511 -27.4687 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0539 9.6805 -26.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4277 10.4213 -25.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2451 9.8541 -24.0856 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7253 8.6231 -23.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3765 7.9379 -25.0374 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5225 8.4228 -26.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1478 7.6815 -27.4111 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8476 14.2988 -25.6156 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9663 14.7715 -24.0733 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3786 14.5559 -22.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3227 14.4150 -24.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9586 14.4630 -23.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3017 13.2260 -24.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5163 12.3430 -24.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4451 13.2357 -24.7932 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2777 11.2484 -25.1738 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1073 10.8665 -26.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5525 9.8068 -26.7768 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3745 9.4943 -26.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2165 10.4316 -25.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0808 10.3189 -24.4713 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1575 9.3717 -24.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3174 8.4748 -25.7065 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4262 8.5219 -26.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6398 7.6048 -27.5197 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7996 13.6169 -25.3353 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2543 15.6128 -23.7695 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2222 15.4756 -25.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9703 14.8886 -24.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3424 14.5983 -23.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6086 13.0877 -23.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5844 12.7089 -24.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7022 13.6995 -25.4858 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8076 11.3926 -25.1011 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9852 10.8087 -25.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8008 9.5939 -25.8731 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4834 9.3638 -25.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8638 10.5078 -25.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5124 10.4985 -25.4281 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7861 9.4578 -25.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4166 8.3429 -26.3272 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7560 8.2812 -26.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4141 7.1329 -26.8736 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4253 12.4741 -22.2939 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4456 15.2953 -23.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6465 13.9846 -24.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2752 14.5165 -24.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4650 14.5160 -23.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8710 13.1233 -23.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7401 12.8834 -24.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5665 13.7603 -25.6259 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9255 11.5015 -25.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1241 10.9250 -25.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8788 9.6435 -25.8388 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5564 9.4290 -25.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9311 10.6027 -25.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5852 10.6634 -25.5485 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7999 9.6070 -25.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4129 8.4506 -26.1318 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7522 8.3347 -26.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4037 7.1223 -26.4953 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6747 13.0338 -22.8141 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5182 15.5105 -23.4143 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0764 14.3637 -22.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6286 14.5609 -23.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8027 14.7607 -24.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3271 13.3351 -24.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1291 12.5042 -24.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0674 13.3780 -24.0542 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8248 11.5285 -25.3022 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1360 11.6061 -26.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6911 10.5162 -27.2693 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0873 9.7200 -26.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1725 10.3557 -25.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6280 9.7421 -24.1181 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0174 8.5494 -24.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9415 7.9390 -25.4496 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4677 8.4988 -26.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3608 7.8178 -27.7944 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3498 13.1755 -23.6274 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4189 15.2563 -25.6957 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6388 15.7439 -24.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3842 14.2324 -24.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8539 13.8633 -23.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4927 13.2965 -23.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5658 12.9830 -25.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4914 13.8424 -25.6937 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8162 11.5960 -25.4075 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9943 10.9517 -25.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8028 9.6420 -25.7566 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4740 9.4469 -25.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8407 10.6686 -25.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5020 10.7330 -25.6894 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7836 9.6273 -25.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4036 8.4533 -26.1547 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7382 8.3106 -26.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3717 7.0608 -26.3447 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2318 12.1693 -22.8964 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7416 14.9868 -22.5724 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7493 13.9240 -21.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9726 13.7233 -23.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1408 14.6868 -23.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9647 13.9215 -25.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6702 12.6182 -24.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4925 12.4893 -23.6267 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1417 11.5137 -25.7394 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2836 11.3759 -27.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6817 10.2424 -27.4826 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1509 9.6478 -26.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4399 10.4504 -25.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0320 10.1066 -24.1072 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3321 8.9727 -23.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0471 8.1907 -25.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4319 8.4835 -26.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1310 7.6608 -27.3654 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6204 13.7283 -25.5877 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8445 15.8722 -24.1861 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.6525 13.7656 -21.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1394 13.6708 -23.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3764 14.6791 -24.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6318 13.7874 -25.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6724 12.6715 -25.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9042 12.4216 -23.7927 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1652 11.5279 -25.8448 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3251 11.2711 -27.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7228 10.1158 -27.4932 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1672 9.6154 -26.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4433 10.5045 -25.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9873 10.2280 -24.1262 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2776 9.1135 -23.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0149 8.2624 -24.9238 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4373 8.4737 -26.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1502 7.5703 -27.2097 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5105 14.4448 -26.2627 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5489 15.4846 -23.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7749 13.8800 -22.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7333 13.9789 -23.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1998 14.7840 -24.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9854 13.7704 -25.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5408 12.4756 -24.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5112 12.7349 -23.6476 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0744 11.5293 -25.5346 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2332 11.5716 -26.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6311 10.4797 -27.3733 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0858 9.7303 -26.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3809 10.4217 -25.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9339 9.8651 -24.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2401 8.7126 -24.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9741 8.0723 -25.1905 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3765 8.5480 -26.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0683 7.8340 -27.5555 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3412 14.0265 -24.8931 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0421 15.1933 -24.9928 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.0563 15.7518 -24.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0527 14.7540 -24.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9078 14.1773 -23.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4104 12.8802 -24.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5984 12.8386 -25.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4614 13.5867 -25.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2936 11.4962 -25.8043 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1758 10.7776 -26.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6182 9.5739 -26.7900 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4284 9.5490 -26.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2069 10.7525 -25.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0840 10.9973 -24.8858 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1248 10.0374 -24.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3251 8.8587 -25.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4636 8.5818 -26.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6257 7.3110 -26.7346 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1193 11.7896 -23.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1747 13.8943 -22.3305 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3381 14.1421 -22.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9844 13.9528 -23.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8411 14.5433 -24.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4735 13.9422 -25.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5678 12.6038 -24.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6745 12.6105 -23.5214 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5831 11.5100 -25.2906 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2187 11.5212 -26.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0328 10.3614 -27.1179 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2647 9.5749 -26.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9915 10.3036 -25.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2338 9.7412 -24.2646 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7371 8.4911 -24.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0001 7.7651 -25.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7575 8.2849 -26.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0852 7.6012 -27.6949 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5338 14.7423 -24.3501 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8093 15.9164 -24.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6987 14.0247 -22.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2708 13.9036 -23.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8293 14.3517 -23.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5539 13.7469 -25.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6633 12.7638 -25.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1839 12.5623 -23.9208 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3085 11.5371 -25.8612 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8197 11.0319 -26.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2401 9.8561 -27.2992 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3304 9.5777 -26.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3835 10.6353 -25.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5702 10.6184 -24.3943 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7329 9.5834 -24.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6696 8.5377 -25.0936 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4695 8.5148 -26.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3977 7.4258 -27.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2918 13.2177 -25.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7131 15.7192 -23.7149 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7102 14.7628 -24.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4285 14.6851 -25.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3116 14.3796 -24.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6656 12.9478 -23.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6339 12.5565 -24.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4724 13.4945 -25.7619 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4978 11.2054 -25.1775 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4306 10.2514 -25.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8731 9.1061 -25.7831 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5502 9.3009 -25.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3195 10.6076 -25.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0613 11.0839 -25.5444 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0210 10.3261 -25.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2691 9.0574 -26.2848 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4871 8.5037 -26.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7605 7.1713 -26.6731 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2942 12.9394 -22.3865 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3404 15.2286 -22.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2592 15.2709 -24.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2051 14.2126 -24.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9921 14.4899 -23.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2929 13.1334 -24.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5039 12.2367 -23.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6000 12.9625 -24.3081 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3210 11.0781 -24.7646 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3360 10.3222 -25.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8560 9.3134 -25.9755 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5144 9.3969 -26.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2060 10.5243 -25.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9307 10.8430 -25.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9521 10.1393 -25.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2499 9.0649 -26.4439 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5132 8.6668 -26.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8169 7.5311 -27.4072 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3626 12.9025 -23.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2150 15.5195 -24.3457 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8512 13.8532 -21.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9681 13.8018 -23.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1207 14.8372 -23.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8263 14.0689 -25.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5858 12.7166 -24.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6705 12.5742 -23.7697 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4226 11.6691 -25.5555 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5713 11.7102 -26.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3136 10.4719 -27.3891 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0021 9.6371 -26.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0751 10.4108 -25.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7939 9.7612 -24.0888 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4649 8.4777 -24.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4034 7.7580 -25.1481 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6633 8.2993 -26.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5842 7.5008 -27.5127 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0089 14.0482 -25.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8010 16.0119 -24.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.1162 15.1027 -23.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8586 13.8069 -22.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1987 13.8755 -23.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9169 13.5920 -25.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5062 13.0715 -25.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1994 12.8225 -23.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3367 11.8728 -25.8607 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3452 11.8046 -27.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1551 10.5141 -27.5278 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0270 9.7671 -26.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1405 10.6200 -25.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0537 10.1642 -24.0846 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8532 8.8576 -23.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7399 8.0100 -24.8823 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8203 8.4240 -26.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7050 7.5559 -27.2641 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0453 14.7601 -25.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1089 12.9865 -23.0851 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.1912 14.4715 -22.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3076 13.6896 -22.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9894 14.5646 -23.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5408 13.8920 -25.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5407 12.4535 -24.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8441 12.5711 -23.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9349 11.5539 -25.6567 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7139 11.6303 -26.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1016 10.5156 -27.4092 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9140 9.6965 -26.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4351 10.3430 -25.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3597 9.6998 -24.0862 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7980 8.4808 -23.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2898 7.8596 -25.0968 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3359 8.4492 -26.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7869 7.7432 -27.4017 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4315 14.1114 -26.2472 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6121 15.8824 -23.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4924 14.7187 -24.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9965 14.6916 -24.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2956 14.4784 -23.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6447 13.1245 -23.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6722 12.9215 -25.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6963 13.6705 -25.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8803 11.5202 -25.3434 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0577 10.8463 -25.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8083 9.5594 -25.7337 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4725 9.4183 -25.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9037 10.6279 -25.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5731 10.7813 -25.6868 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7879 9.7490 -25.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3474 8.5495 -26.2258 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6743 8.3196 -26.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2216 7.0427 -26.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3300 12.1570 -22.8404 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2724 15.4317 -23.2586 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.3411 13.7891 -21.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3452 13.8364 -23.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3484 14.8081 -23.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7526 13.9825 -25.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8571 12.5958 -24.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1155 12.6055 -23.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7279 11.5624 -25.4952 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1146 11.5229 -26.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7974 10.3544 -27.3467 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1896 9.6141 -26.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1511 10.3697 -25.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5810 9.8430 -24.1553 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0517 8.6246 -24.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0801 7.8732 -25.2149 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6383 8.3486 -26.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6646 7.5467 -27.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4416 14.3555 -25.3611 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9293 15.9754 -24.4302 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4483 15.1283 -25.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1748 14.8089 -25.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6020 14.6299 -23.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8959 13.1224 -23.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7952 12.6681 -24.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7052 13.6087 -25.4787 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0072 11.3260 -24.9889 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1269 10.6128 -25.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8212 9.4188 -25.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5167 9.3594 -25.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9968 10.5681 -25.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6625 10.7827 -25.5751 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8327 9.8572 -26.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3456 8.6786 -26.4573 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6507 8.3920 -26.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2316 7.1703 -26.7549 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8130 12.5938 -22.3023 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5006 14.8818 -22.7886 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7882 13.8492 -21.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1158 13.8044 -23.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8584 14.6611 -24.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6108 13.8778 -25.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6689 12.4802 -24.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0527 12.5302 -23.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0863 11.5056 -25.6906 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0275 11.5161 -27.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3895 10.4040 -27.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0413 9.6818 -26.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4831 10.3813 -25.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2541 9.8621 -24.0745 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6104 8.6891 -23.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1874 8.0195 -25.0165 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3742 8.4672 -26.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9148 7.7376 -27.4153 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3081 14.1894 -25.7918 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3552 15.9515 -24.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.0199 15.3298 -25.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3902 14.9334 -24.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3603 14.4784 -23.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0897 12.9737 -23.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8406 12.8492 -24.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7390 13.7575 -25.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9695 11.5233 -25.3825 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0754 10.9013 -25.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7612 9.6393 -26.2221 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4544 9.4430 -26.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9627 10.6286 -25.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6409 10.6690 -25.2233 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8457 9.6014 -25.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3492 8.4539 -25.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6555 8.3434 -26.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1641 7.1277 -26.8086 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2024 12.2321 -22.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6063 14.7230 -22.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8797 14.1291 -22.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4080 14.3088 -23.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9997 14.8197 -23.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3346 13.7515 -24.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2113 12.5765 -24.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4839 13.1369 -24.5955 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0343 11.4551 -25.3784 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6861 11.1888 -26.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2353 10.0277 -27.0653 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2825 9.5393 -26.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1668 10.4383 -25.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2542 10.1403 -24.2713 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4874 9.0371 -24.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6250 8.1844 -25.3578 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5111 8.3998 -26.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6020 7.4561 -27.4026 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5355 14.1860 -26.1584 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3896 14.8325 -22.7147 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7688 15.9538 -25.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2112 14.7504 -24.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8771 14.4797 -23.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7572 12.9535 -23.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9577 12.6295 -24.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4511 13.5638 -25.5865 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0717 11.2809 -25.1094 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1536 10.4929 -25.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8074 9.2635 -25.6576 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4878 9.2570 -25.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0378 10.5151 -25.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7279 10.8098 -25.6644 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8353 9.9197 -26.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2671 8.7036 -26.4454 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5660 8.3381 -26.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9791 7.0466 -26.7077 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9897 12.6087 -22.3256 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1808 15.0414 -22.5046 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9195 14.0195 -22.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9018 13.5111 -23.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1329 14.5188 -24.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2330 14.0517 -25.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5117 12.8927 -24.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3219 12.3954 -23.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2960 11.7997 -25.6173 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2459 11.7920 -26.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0213 10.5461 -27.4168 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9259 9.7411 -26.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0981 10.5255 -25.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0349 9.8874 -24.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8198 8.5726 -23.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6584 7.8492 -25.0371 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7024 8.3827 -26.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5292 7.5987 -27.4319 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0191 13.7553 -26.3804 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7552 15.7684 -23.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.3623 14.9794 -22.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8249 14.5780 -23.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3015 14.2491 -23.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3170 13.1628 -24.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0163 12.4678 -24.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1402 13.4688 -24.0628 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5633 11.5595 -25.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3968 11.7985 -26.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9504 10.6788 -27.2958 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8402 9.7290 -26.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2195 10.2749 -25.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1849 9.4878 -24.0762 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7916 8.2128 -24.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4140 7.6606 -25.3235 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4331 8.4116 -26.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0321 7.8105 -27.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2934 13.7300 -25.9872 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0453 15.3479 -24.0099 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.0093 14.0804 -21.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2629 13.7935 -23.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4404 14.7515 -24.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9061 13.8264 -25.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8128 12.6234 -25.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8512 12.5045 -23.7819 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3505 11.4576 -25.8397 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7821 11.0549 -27.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1211 9.9143 -27.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2888 9.5991 -26.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4295 10.5849 -25.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6933 10.4961 -24.2579 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8326 9.4811 -24.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7096 8.5426 -25.0313 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4055 8.5624 -26.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2838 7.5799 -27.1841 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5826 13.4889 -25.0454 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3649 15.2666 -23.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2229 13.5512 -23.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7125 13.7057 -22.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3250 14.8140 -23.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9565 14.0117 -25.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3343 12.7932 -24.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0876 12.5613 -23.3317 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3299 11.6990 -25.3904 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6497 11.7584 -26.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5326 10.5439 -27.2694 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1382 9.6751 -26.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0149 10.4092 -25.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6213 9.7395 -24.0715 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3618 8.4064 -24.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4860 7.7030 -25.2746 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8741 8.3229 -26.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0076 7.5903 -27.6065 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1078 14.6536 -25.9762 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3645 15.6696 -24.1623 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6676 14.6309 -24.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4669 14.1476 -23.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2201 14.7949 -24.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4928 13.6511 -24.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0749 12.4587 -24.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3402 12.7925 -23.7766 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1007 11.3181 -25.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1004 10.9318 -25.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6889 9.8224 -26.5063 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4516 9.5259 -26.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0668 10.4661 -25.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8388 10.3599 -24.6522 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9997 9.3462 -25.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3980 8.4239 -25.9118 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6037 8.4790 -26.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0517 7.5278 -27.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1178 13.7806 -24.6498 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4462 15.1506 -23.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.3453 14.1203 -21.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3032 13.8763 -23.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1998 14.6797 -24.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0643 13.9213 -25.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8301 12.6590 -25.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8762 12.5655 -23.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3092 11.4986 -25.7704 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6881 11.1353 -27.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0321 10.0094 -27.3633 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2545 9.6712 -26.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4267 10.6024 -25.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7615 10.4968 -24.1828 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9231 9.4508 -24.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7314 8.5242 -24.9975 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3885 8.5962 -26.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2184 7.6403 -27.2155 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7279 13.6756 -25.7068 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0466 14.4852 -23.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1057 13.8695 -21.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1331 13.8646 -23.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0166 14.6828 -23.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4677 13.7395 -25.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5970 12.7612 -25.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9751 12.5590 -23.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2346 11.5592 -25.8305 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7003 11.1543 -27.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1414 9.9762 -27.3689 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3071 9.6006 -26.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3835 10.6041 -25.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6410 10.4912 -24.3265 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8526 9.4134 -24.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7783 8.4363 -25.0917 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5038 8.4872 -26.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4353 7.4656 -27.2208 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3347 13.1485 -24.4552 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5192 15.7945 -24.5924 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9719 13.9015 -21.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7620 13.7075 -23.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3490 14.7657 -24.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8030 13.9146 -25.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6632 12.6776 -25.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5944 12.4796 -23.6795 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1628 11.5637 -25.8005 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3325 11.3921 -27.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7388 10.2327 -27.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2046 9.7014 -26.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4599 10.5179 -25.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0336 10.2187 -24.1067 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3274 9.0607 -23.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0641 8.2484 -24.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4943 8.5546 -26.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1873 7.6506 -27.3017 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4976 13.5495 -24.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4805 15.4711 -24.5277 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1799 15.5254 -25.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1493 14.6423 -24.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5184 14.2974 -23.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4184 12.7662 -23.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8334 12.5202 -24.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0454 13.4793 -25.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5542 11.1953 -25.2516 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4805 10.2436 -25.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8593 9.1218 -25.8713 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5307 9.3725 -25.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3373 10.6782 -25.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0950 11.1666 -25.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0368 10.4254 -25.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2267 9.1532 -26.2005 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4510 8.5685 -26.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6164 7.2341 -26.6707 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0895 12.3635 -23.2441 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7045 14.8546 -22.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5242 14.9365 -24.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4560 14.0022 -24.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1179 14.7202 -24.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1760 13.5424 -24.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0051 12.4254 -24.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2732 12.9047 -23.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0881 11.2877 -24.9356 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1309 10.8566 -25.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7914 9.7579 -26.3763 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4859 9.4846 -26.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0706 10.4472 -25.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7859 10.3616 -24.7654 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9458 9.3976 -25.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3928 8.4789 -26.0574 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6498 8.4817 -26.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1328 7.5149 -27.4608 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9942 13.7477 -23.9337 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1064 15.2601 -23.2217 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8600 15.3147 -25.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5408 14.5855 -24.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0411 14.4368 -23.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6135 12.9620 -23.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7115 12.4129 -24.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6992 13.3385 -25.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4443 11.0796 -24.9413 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2919 10.0411 -24.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7120 8.9390 -25.3398 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4731 9.2864 -25.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3142 10.6272 -25.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1858 11.2770 -25.8423 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1987 10.5778 -26.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3251 9.2651 -26.6838 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4495 8.5813 -26.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6113 7.2076 -26.6349 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6572 12.4009 -22.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9980 15.2748 -23.2664 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3271 15.2939 -23.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1675 14.5649 -24.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0319 14.3466 -23.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3595 13.1196 -24.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2454 12.8042 -25.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4866 13.2475 -24.7572 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2461 11.4163 -25.5494 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2656 10.5861 -25.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7742 9.3695 -26.1011 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4307 9.3850 -26.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1093 10.6816 -25.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7973 10.9627 -25.5146 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8407 10.0266 -25.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1954 8.7629 -26.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4822 8.3984 -26.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8194 7.0629 -26.5667 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3675 12.1280 -23.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1806 15.4511 -23.4231 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9330 15.8126 -25.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1398 14.3389 -25.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0827 14.2245 -23.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6552 12.9792 -23.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3876 12.5890 -24.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9724 13.7151 -24.7185 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6788 11.4670 -24.8946 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8366 11.2305 -25.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7030 10.1060 -26.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4780 9.6221 -26.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8191 10.4815 -25.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5521 10.1688 -24.8801 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9546 9.0577 -25.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6219 8.2340 -26.2151 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8864 8.4828 -26.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6202 7.6480 -27.4473 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4188 13.2099 -21.9294 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3868 14.2402 -24.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3887 14.0439 -22.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4842 13.4815 -23.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6545 14.5391 -24.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2482 14.0200 -24.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4303 12.6120 -24.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6082 12.5921 -23.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5335 11.6374 -25.1556 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1629 11.7316 -26.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0154 10.5793 -27.0279 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2820 9.7561 -26.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9838 10.4124 -25.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2363 9.7813 -24.1587 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7845 8.5260 -24.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0810 7.8985 -25.4666 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8127 8.4737 -26.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0878 7.7411 -27.6138 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5911 14.0877 -25.8287 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7420 15.6941 -23.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.4876 15.7975 -25.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4195 14.7068 -24.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0194 14.4113 -23.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7801 12.8957 -23.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6580 12.5473 -24.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3060 13.5344 -25.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4273 11.2129 -25.1988 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4044 10.2979 -25.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8732 9.1456 -25.8449 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5487 9.3453 -25.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2827 10.6253 -25.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0305 11.1079 -25.4974 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0154 10.3107 -25.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2615 9.0452 -26.2754 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4889 8.5400 -26.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7610 7.2110 -26.7275 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2099 12.2756 -22.3744 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1529 14.5979 -22.6713 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7853 14.2360 -22.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4495 14.0618 -23.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1621 14.7425 -23.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2712 13.6585 -24.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0293 12.4030 -24.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3471 12.7334 -23.9456 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8534 11.4602 -25.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3700 11.5301 -26.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9723 10.4607 -27.1217 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1955 9.7058 -26.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1124 10.3252 -25.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3843 9.7893 -24.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7291 8.6325 -24.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8236 8.0454 -25.4782 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5142 8.5156 -26.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6106 7.8941 -27.7729 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1518 13.7344 -25.8487 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3654 15.6792 -24.9531 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5144 13.7546 -22.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2341 13.7903 -22.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4653 14.7864 -24.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3528 13.8812 -25.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3663 12.8705 -24.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9773 12.5679 -23.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1930 11.7375 -25.5543 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0975 11.8150 -26.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9401 10.5692 -27.3897 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9321 9.6790 -26.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0938 10.4372 -25.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1221 9.7820 -24.0431 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9964 8.4351 -24.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8386 7.6939 -25.1309 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8047 8.3029 -26.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6412 7.5300 -27.4949 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8606 14.5718 -26.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6966 15.4034 -23.9654 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.8775 14.6261 -22.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6252 13.4195 -22.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3766 13.8617 -24.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2405 13.9632 -25.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2443 12.9967 -24.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7221 12.4949 -23.4097 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0516 11.8935 -25.5287 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8165 11.9385 -26.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6946 10.6959 -27.3593 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8484 9.8187 -26.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0712 10.5811 -25.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2645 9.9555 -24.0398 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2325 8.6108 -24.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0167 7.8609 -25.1211 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8208 8.4448 -26.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5958 7.6472 -27.4592 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6574 13.6849 -26.4369 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9708 15.1143 -23.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6684 15.5210 -25.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2996 14.2304 -24.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8838 14.4140 -23.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3262 13.0047 -23.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6555 12.7630 -24.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1543 13.6558 -25.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8054 11.3874 -24.9945 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9479 10.6805 -24.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7428 9.4435 -25.4382 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4644 9.3499 -25.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8868 10.5672 -25.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5957 10.7112 -25.8131 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8593 9.7202 -26.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4397 8.5459 -26.6217 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7347 8.3047 -26.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3494 7.0609 -26.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4847 12.9524 -22.1438 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8286 15.2951 -23.4046 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1732 13.7848 -22.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2110 14.0055 -23.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7860 13.7037 -23.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1167 13.5569 -24.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1821 12.9791 -25.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3900 13.0533 -24.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0345 11.6190 -25.9354 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8371 11.0788 -26.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4619 9.8069 -27.0491 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4377 9.5024 -26.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1705 10.6622 -25.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2013 10.6899 -24.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4881 9.5501 -24.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7273 8.4158 -25.1098 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7130 8.3470 -26.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0016 7.1804 -26.7659 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8798 14.8856 -25.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3151 14.7867 -22.6417 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4397 13.7331 -22.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2491 13.7143 -22.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3828 14.7340 -24.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9743 13.8886 -25.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5620 12.5429 -24.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1452 12.4764 -23.5128 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0193 11.4927 -25.6452 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0697 11.5189 -26.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4746 10.3920 -27.4056 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0649 9.6833 -26.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4131 10.3871 -25.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1068 9.8786 -24.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4695 8.6979 -23.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1261 8.0050 -25.0397 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4134 8.4770 -26.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0803 7.7982 -27.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5555 14.3556 -26.4148 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5810 15.8324 -23.8872 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2834 15.3687 -24.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3426 14.2788 -24.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8896 14.6202 -24.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2548 13.2421 -24.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4357 12.3352 -24.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5052 13.1150 -24.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2812 11.1144 -24.9708 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3029 10.3433 -25.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8143 9.2524 -26.0189 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4925 9.3158 -26.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1656 10.4872 -25.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8800 10.8144 -25.2043 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9085 10.0083 -25.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2316 8.8665 -26.3321 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5070 8.4828 -26.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8799 7.2899 -27.1884 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5258 13.1954 -23.0847 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4266 15.4777 -23.3784 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.2107 14.2123 -21.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9809 14.1516 -23.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2535 14.4573 -23.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9300 13.6941 -25.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3246 12.4771 -24.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5172 12.9318 -23.6219 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7232 11.5681 -25.5445 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3561 11.7477 -26.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8160 10.6055 -27.3204 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8294 9.6884 -26.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3997 10.2957 -25.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5073 9.5223 -24.1568 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0976 8.2400 -24.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5490 7.6819 -25.2117 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4006 8.3781 -26.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8131 7.7197 -27.4683 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0630 14.4211 -26.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3551 15.8153 -24.1919 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4507 14.0176 -23.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2710 13.2008 -24.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0322 13.4503 -23.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9456 13.4508 -24.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6567 13.1651 -25.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9188 13.7213 -25.3517 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8175 11.7745 -25.8512 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8829 11.2564 -26.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7376 9.9190 -26.6295 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5640 9.5541 -26.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0128 10.7253 -25.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8177 10.6496 -24.9917 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1882 9.4683 -24.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7392 8.3328 -25.3245 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9426 8.3284 -25.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5343 7.1378 -26.4517 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4465 14.7678 -24.3426 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1687 14.6882 -22.6035 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6973 15.0652 -23.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2047 13.7126 -23.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6851 13.6608 -23.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3299 13.4856 -24.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5201 12.7598 -25.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4771 12.7100 -24.1917 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2574 11.4673 -25.7399 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0486 10.8708 -26.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5612 9.6729 -26.9791 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4261 9.4480 -26.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2670 10.5896 -25.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2182 10.6538 -24.6973 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3162 9.6600 -24.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4901 8.5430 -25.3551 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5242 8.4104 -26.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7014 7.2419 -26.9841 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2442 14.7971 -25.2003 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1582 14.8590 -22.7542 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1356 15.2858 -24.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3173 14.2869 -23.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8627 14.6377 -23.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2291 13.3107 -24.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3008 12.8279 -25.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4557 13.0608 -24.5056 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2070 11.4248 -25.5346 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2561 10.5985 -25.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7909 9.3619 -25.9256 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4632 9.3911 -25.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0818 10.7033 -25.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7656 11.0072 -25.6437 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8782 10.0073 -25.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2354 8.7459 -26.0859 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5214 8.3839 -26.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9606 7.0557 -26.3917 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2541 12.4621 -23.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4114 15.0565 -22.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3773 14.8587 -24.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0303 14.5568 -24.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9261 14.5311 -23.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3922 13.1003 -23.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6092 12.3979 -24.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1097 13.3076 -25.3078 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3844 11.1422 -24.9927 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3884 10.2815 -25.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8532 9.1996 -25.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5187 9.3736 -25.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2087 10.6042 -25.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9339 11.0137 -25.3432 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9387 10.2492 -25.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2240 9.0500 -26.3734 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4930 8.5888 -26.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8277 7.3425 -27.0077 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9883 12.5640 -22.6664 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9230 15.4464 -24.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2728 14.9410 -24.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2328 13.8431 -24.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8805 14.4161 -24.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1653 13.2206 -23.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2446 12.1979 -23.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4529 12.8808 -23.7478 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2075 11.1414 -24.5989 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2985 10.5875 -25.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9005 9.6369 -26.0131 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5628 9.5658 -26.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1345 10.5195 -25.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8026 10.6683 -24.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9374 9.8946 -25.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3577 8.9476 -26.5071 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6722 8.7665 -26.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0914 7.7784 -27.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6903 13.6178 -22.5208 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2226 14.9843 -25.4355 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4043 13.7109 -21.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4642 13.7579 -23.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1374 14.3973 -24.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2685 13.9012 -25.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4358 12.8167 -24.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1858 12.4806 -23.5441 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2705 11.7172 -25.5835 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2592 11.7948 -26.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0789 10.5364 -27.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9752 9.6586 -26.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1006 10.4353 -25.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0274 9.7629 -24.0509 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8454 8.4288 -23.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7231 7.6703 -25.1139 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7881 8.2851 -26.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6734 7.5974 -27.5485 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4151 14.8785 -25.8679 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0741 15.7779 -24.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4909 13.7016 -22.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3099 14.0506 -23.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9870 14.7290 -23.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3631 13.8345 -24.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9726 12.4925 -24.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3076 12.8714 -24.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8094 11.4877 -25.3767 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2701 11.4898 -26.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8909 10.3357 -27.2479 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1884 9.6067 -26.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1453 10.3346 -25.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4819 9.8181 -24.1339 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8746 8.6406 -24.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9111 7.9190 -25.2897 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5510 8.3811 -26.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5900 7.6274 -27.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8992 14.2552 -26.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0838 16.0327 -24.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7711 14.4436 -22.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4470 13.8351 -23.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9527 14.5282 -24.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6343 13.8144 -24.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8633 12.4876 -24.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0904 12.5084 -23.7058 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7674 11.4489 -25.3364 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3407 11.4857 -26.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0233 10.3433 -27.2085 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2508 9.6166 -26.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0699 10.2835 -25.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3442 9.7978 -24.1713 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7593 8.6016 -24.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9149 7.9251 -25.4493 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6257 8.3770 -26.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7978 7.6737 -27.6843 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6596 14.5533 -24.3223 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8147 15.8840 -24.6034 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6355 13.9336 -21.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2943 13.6724 -23.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4054 14.7791 -23.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8730 14.0183 -25.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6450 12.6772 -24.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6436 12.4867 -23.6194 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5200 11.6027 -25.4912 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8113 11.6636 -26.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5489 10.4395 -27.3133 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1030 9.6294 -26.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0896 10.3812 -25.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6636 9.7464 -24.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2786 8.4514 -24.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3027 7.7335 -25.2411 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7118 8.3055 -26.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7620 7.6132 -27.6219 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7092 14.5821 -25.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1293 15.8921 -24.3379 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7777 14.0984 -22.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2897 13.9142 -23.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9414 14.5419 -23.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4219 13.6834 -24.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5226 12.7255 -25.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0219 12.5598 -23.8376 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2527 11.5230 -25.8154 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8520 11.0506 -26.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3274 9.8636 -27.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3777 9.5412 -26.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3395 10.5880 -25.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4646 10.5213 -24.4859 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6071 9.5187 -24.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6338 8.4910 -25.1542 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4978 8.4871 -26.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5515 7.4243 -27.1358 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2153 13.1949 -24.5688 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0323 15.8812 -24.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3438 14.8884 -23.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3065 13.7991 -23.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8953 14.3264 -23.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2475 13.1187 -24.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3579 12.7778 -24.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4766 12.8325 -24.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1754 11.4886 -25.6252 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0488 10.9843 -26.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5867 9.7885 -26.9016 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4282 9.5213 -26.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1780 10.6065 -25.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0780 10.6780 -24.6896 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2322 9.6298 -24.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4588 8.5626 -25.5164 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5549 8.4613 -26.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7964 7.3405 -27.1354 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0625 13.4367 -24.6478 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8994 15.3671 -24.2702 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.2627 15.3514 -23.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9965 14.8323 -24.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3325 14.2600 -24.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9352 12.9204 -23.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6057 12.6619 -24.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3223 13.7222 -25.3289 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7491 11.4779 -25.3248 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7282 11.2962 -26.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5113 10.0886 -26.7776 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4058 9.5429 -26.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9041 10.4202 -25.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7944 10.1583 -24.5895 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1344 8.9941 -24.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5981 8.1137 -25.6868 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7070 8.3533 -26.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2177 7.4520 -27.3712 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9010 12.9068 -22.4655 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0210 15.0557 -23.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3345 15.1078 -23.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3310 13.9839 -23.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9085 14.4794 -23.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1600 13.3381 -24.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1186 13.0368 -25.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3696 13.4354 -25.1938 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1296 11.5929 -25.7648 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1854 10.8182 -26.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8096 9.5254 -26.1514 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4870 9.4682 -25.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0559 10.7742 -25.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7491 10.9970 -25.4921 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8800 9.9731 -25.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2990 8.7172 -25.7396 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5900 8.4186 -25.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0325 7.0839 -26.2234 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1413 12.2714 -23.5841 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5452 14.5864 -22.4283 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.1665 14.6965 -22.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5006 14.4730 -23.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0023 14.3465 -23.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1569 13.0965 -24.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7844 13.0372 -25.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9654 13.2891 -24.2505 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5237 11.7870 -25.9817 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6064 11.5788 -27.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3005 10.2922 -27.6043 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0231 9.6892 -26.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1649 10.6338 -25.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9506 10.3186 -24.1289 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5891 9.0389 -23.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4446 8.1068 -24.8181 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6538 8.3988 -26.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5029 7.4198 -27.1314 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1772 13.1758 -25.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6139 14.2292 -22.6261 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4614 13.8995 -22.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2854 13.8508 -23.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5688 14.8359 -24.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6075 13.9024 -25.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5807 12.8887 -24.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1066 12.6133 -23.5829 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4657 11.7616 -25.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7437 11.6561 -26.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4960 10.4116 -27.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0461 9.6801 -26.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0355 10.5457 -25.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6137 10.0293 -24.1367 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2272 8.7454 -24.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2471 7.9213 -25.0915 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6540 8.3635 -26.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6619 7.4670 -27.3938 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8737 13.3542 -25.3586 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4519 15.6817 -24.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6417 15.1624 -23.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2501 14.2678 -24.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7765 14.3546 -24.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2357 13.2061 -23.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4055 12.2624 -23.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5486 12.9802 -24.0353 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2641 11.2318 -24.8391 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2548 10.8268 -25.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7662 9.8594 -26.4529 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4760 9.6325 -26.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1672 10.5068 -25.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9152 10.4933 -24.6591 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0088 9.6352 -25.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3117 8.7844 -26.1769 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5456 8.7583 -26.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8640 7.8513 -27.7589 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0905 13.7062 -22.5285 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6048 14.0885 -26.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3752 14.9676 -23.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3244 14.0187 -23.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9652 14.5816 -23.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5096 13.6132 -24.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1929 12.3435 -24.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4568 12.8122 -23.9254 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1826 11.2929 -25.1876 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0448 10.9438 -26.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5923 9.8564 -26.8174 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4277 9.4853 -26.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1717 10.3776 -25.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0297 10.2284 -24.5484 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1418 9.2688 -24.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3695 8.3849 -25.7483 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4885 8.4915 -26.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7194 7.5593 -27.5228 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1445 13.4981 -24.7843 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9905 15.8844 -24.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4520 14.1389 -21.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8434 13.9647 -23.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6303 14.8082 -24.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3713 14.0170 -25.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4383 12.6142 -24.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8684 12.6695 -23.6159 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9100 11.6182 -25.7298 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7639 11.6441 -27.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2202 10.4834 -27.4701 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0067 9.6866 -26.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4496 10.4252 -25.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3435 9.8411 -24.0857 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8347 8.6061 -23.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4037 7.8919 -24.9914 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4860 8.4231 -26.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0475 7.7112 -27.3639 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0929 14.3427 -25.8633 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9646 14.7220 -23.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8803 13.6713 -21.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6568 15.2207 -21.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8033 14.3555 -23.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2561 15.8362 -24.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1455 14.1978 -26.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5384 12.4114 -24.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0386 12.4717 -27.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7391 8.1180 -22.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9369 6.6852 -27.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8339 8.1874 -28.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5506 13.5648 -26.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.4620 14.2966 -24.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.4520 14.1389 -21.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8434 13.9647 -23.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.6303 14.8082 -24.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.3713 14.0170 -25.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.4383 12.6142 -24.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8684 12.6695 -23.6159 O 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9100 11.6182 -25.7298 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.7639 11.6441 -27.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.2202 10.4834 -27.4701 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0067 9.6866 -26.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.4496 10.4252 -25.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3435 9.8411 -24.0857 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.8347 8.6061 -23.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.4037 7.8919 -24.9914 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.4860 8.4231 -26.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.0475 7.7112 -27.3639 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0929 14.3427 -25.8633 O 0 0 0 0 0 0 0 0 0 0 0 0 + -13.9646 14.7220 -23.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8803 13.6713 -21.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.6568 15.2207 -21.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.8033 14.3555 -23.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.2561 15.8362 -24.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.1455 14.1978 -26.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.5384 12.4114 -24.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.0386 12.4717 -27.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.7391 8.1180 -22.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.9369 6.6852 -27.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.8339 8.1874 -28.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.5506 13.5648 -26.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.4620 14.2966 -24.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -7547,39 +7547,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5456 15.8457 -25.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5265 14.7851 -24.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3441 14.4776 -23.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1875 12.9499 -23.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9032 12.7309 -24.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8550 13.5584 -25.3905 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9975 11.3649 -25.2026 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0708 10.5705 -25.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7158 9.3422 -25.7207 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3953 9.3298 -25.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9517 10.6005 -25.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6281 10.8160 -25.6788 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7630 9.8670 -26.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2299 8.6528 -26.3855 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5349 8.3333 -26.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9834 7.0367 -26.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3730 12.3333 -22.9604 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1216 15.0133 -22.8611 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4013 14.0959 -22.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4396 13.5357 -23.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5347 14.6651 -24.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1966 13.9921 -24.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4218 12.5950 -23.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6148 12.5917 -23.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4576 11.6573 -25.0064 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9731 11.8541 -26.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8178 10.7559 -26.9933 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1992 9.8267 -26.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9758 10.4008 -25.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3545 9.6606 -24.0939 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9668 8.4055 -24.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1856 7.8449 -25.5958 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8021 8.5405 -26.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0369 7.9689 -27.8406 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7153 14.0405 -25.6626 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0332 15.1766 -25.4006 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1953 15.1425 -24.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0456 14.3120 -23.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8611 14.3507 -24.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0402 13.2202 -24.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1624 12.2572 -23.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3284 12.9663 -23.6482 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1866 11.2667 -24.7463 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2003 10.9197 -25.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8126 9.9602 -26.4162 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5370 9.6718 -26.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1459 10.4844 -25.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8803 10.3952 -24.6737 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0048 9.5457 -25.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4047 8.7593 -26.2162 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6504 8.7877 -26.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9754 7.9189 -27.7992 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4750 13.7283 -22.8425 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2208 13.9212 -25.9094 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7865 15.8277 -24.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.5718 15.7379 -23.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6506 14.6822 -22.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3301 15.3050 -24.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3128 12.8021 -24.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9357 11.7910 -22.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2012 11.3727 -25.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 - -7.9686 9.4617 -24.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0133 8.1894 -28.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1934 6.9271 -27.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9831 14.5540 -23.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1811 14.1279 -26.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.1953 15.1425 -24.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 + -13.0456 14.3120 -23.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8611 14.3507 -24.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0402 13.2202 -24.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.1624 12.2572 -23.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 + -13.3284 12.9663 -23.6482 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.1866 11.2667 -24.7463 N 0 0 0 0 0 0 0 0 0 0 0 0 + -13.2003 10.9197 -25.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.8126 9.9602 -26.4162 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.5370 9.6718 -26.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1459 10.4844 -25.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.8803 10.3952 -24.6737 N 0 0 0 0 0 0 0 0 0 0 0 0 + -9.0048 9.5457 -25.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.4047 8.7593 -26.2162 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.6504 8.7877 -26.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.9754 7.9189 -27.7992 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.4750 13.7283 -22.8425 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.2208 13.9212 -25.9094 O 0 0 0 0 0 0 0 0 0 0 0 0 + -13.7865 15.8277 -24.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.5718 15.7379 -23.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.6506 14.6822 -22.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3301 15.3050 -24.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.3128 12.8021 -24.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9357 11.7910 -22.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.2012 11.3727 -25.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 + -7.9686 9.4617 -24.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.0133 8.1894 -28.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1934 6.9271 -27.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.9831 14.5540 -23.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.1811 14.1279 -26.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -7751,39 +7751,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2198 14.6374 -22.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3238 14.3471 -24.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8968 14.4929 -23.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2529 13.2503 -24.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3168 12.8319 -25.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4897 13.0481 -24.5237 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2053 11.4844 -25.6966 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1943 10.7993 -26.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7484 9.5602 -26.5871 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4808 9.4333 -26.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1441 10.6622 -25.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9210 10.8203 -25.1264 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9732 9.8696 -25.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2813 8.6799 -25.6753 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5029 8.4760 -26.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8179 7.2106 -26.7537 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0545 12.3514 -23.2451 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3035 15.6528 -24.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9125 12.8184 -23.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5574 13.3679 -23.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3536 14.6922 -23.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9341 14.1266 -25.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1429 12.9282 -24.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5357 12.5613 -23.4441 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2670 11.8059 -25.5916 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6197 11.8081 -26.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6139 10.5283 -27.3612 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2564 9.7507 -26.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0370 10.5290 -25.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6654 9.9278 -24.1011 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4933 8.6036 -23.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7012 7.8281 -25.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0779 8.3879 -26.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2980 7.5489 -27.3478 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1311 15.0039 -25.8213 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5298 15.3912 -23.8287 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8616 15.8819 -24.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7955 14.8453 -24.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1154 14.3341 -23.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5150 12.8830 -23.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6017 12.6541 -24.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8553 13.7912 -25.4063 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8303 11.4302 -25.3209 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9117 10.9830 -25.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6955 9.7379 -26.4525 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4359 9.3819 -26.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9099 10.4313 -25.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6426 10.3517 -24.9978 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8732 9.2786 -25.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3527 8.2277 -25.8936 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6297 8.2841 -26.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1432 7.1758 -27.0745 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8452 12.9059 -23.8178 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1126 15.0305 -22.5252 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9904 14.0017 -21.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1653 13.6077 -23.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5944 14.7317 -24.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0488 13.9606 -25.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5550 12.7115 -24.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5073 12.4549 -23.5657 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3726 11.6762 -25.4831 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4202 11.7572 -26.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1930 10.5482 -27.3519 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9988 9.6865 -26.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1095 10.3843 -25.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9526 9.7314 -24.0154 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6905 8.4067 -24.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5805 7.7140 -25.2016 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7293 8.3239 -26.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6249 7.6505 -27.6243 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0266 14.6113 -25.8981 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5673 15.6497 -24.4535 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3283 15.3417 -24.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4550 14.3097 -23.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0216 14.7242 -24.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3544 13.4682 -24.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3708 12.4159 -24.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5645 13.0533 -24.5808 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2344 11.1985 -24.9907 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2700 10.5271 -25.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8025 9.4259 -26.1528 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4719 9.3735 -26.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1257 10.4979 -25.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8284 10.6929 -25.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8954 9.8067 -25.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2433 8.7166 -26.1737 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5373 8.4686 -26.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8948 7.3239 -27.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1449 13.3097 -23.9772 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5836 14.9538 -22.7558 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6333 15.2921 -25.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2770 14.4501 -24.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8677 14.6618 -24.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2537 13.2764 -24.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4500 12.3951 -24.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4332 13.1292 -24.8042 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2724 11.1199 -24.8087 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2838 10.2362 -24.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8206 9.1430 -25.5874 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5044 9.3205 -25.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1961 10.5534 -25.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9454 11.0178 -25.4776 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0314 10.2339 -26.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3094 9.0197 -26.5824 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5604 8.5335 -26.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9253 7.2591 -26.9750 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4518 13.0216 -23.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9112 14.9447 -22.6267 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1987 13.9499 -22.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8438 13.7399 -23.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7284 14.7810 -24.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2259 13.9506 -25.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7677 12.6910 -24.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7861 12.4962 -23.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6221 11.6077 -25.4928 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9724 11.5704 -26.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6700 10.3655 -27.3202 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1178 9.6110 -26.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0938 10.4013 -25.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5752 9.8696 -24.0824 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1060 8.6064 -24.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1360 7.8464 -25.2167 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6373 8.3170 -26.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6689 7.5169 -27.5543 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2416 14.5635 -25.9987 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7353 15.7238 -23.8072 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4582 12.7230 -22.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2532 13.5528 -22.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8161 14.5642 -23.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7854 13.7020 -25.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4471 13.0163 -24.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3473 12.7812 -23.5556 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2899 11.8481 -25.7076 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2648 11.8138 -27.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1014 10.5470 -27.4677 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0230 9.7758 -26.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1417 10.5971 -25.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0944 10.0628 -24.0584 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9335 8.7401 -23.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8177 7.9372 -24.9243 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8575 8.4188 -26.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7321 7.5443 -27.3048 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8580 14.3935 -26.2912 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9060 15.5899 -23.9725 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.0592 13.5306 -21.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2544 13.1804 -23.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7157 14.4403 -23.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3081 13.8089 -25.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4411 12.8226 -25.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9711 12.5494 -23.9776 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0398 11.6578 -25.9458 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1898 11.4553 -27.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6777 10.2306 -27.5569 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2083 9.6618 -26.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4429 10.5744 -25.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0684 10.2730 -24.1446 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4733 9.1086 -23.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2442 8.2236 -24.8067 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5977 8.4778 -26.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3562 7.5387 -27.1304 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3046 14.7964 -26.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7744 15.2777 -23.9377 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1518 14.2583 -22.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6032 13.8558 -23.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6040 14.8705 -24.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8836 13.9961 -25.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8870 12.6733 -24.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9715 12.6457 -23.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7931 11.5436 -25.4512 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3796 11.3883 -26.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0470 10.1999 -27.1727 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2395 9.5770 -26.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0812 10.4127 -25.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2966 9.9883 -24.2272 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6831 8.7972 -24.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8589 8.0008 -25.3124 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6199 8.3273 -26.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7765 7.4548 -27.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6143 14.4490 -25.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6362 15.1693 -23.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.3088 14.7123 -22.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1750 13.8662 -22.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9557 14.6351 -24.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9575 13.6856 -25.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4272 12.4246 -24.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4433 12.9233 -23.7211 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8817 11.5200 -25.5707 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7976 11.6480 -26.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2071 10.5436 -27.4162 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9098 9.7019 -26.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3406 10.3300 -25.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1449 9.6651 -24.0934 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5686 8.4578 -24.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1537 7.8561 -25.1474 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3160 8.4594 -26.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8780 7.8269 -27.5402 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2658 13.4978 -25.6413 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3957 15.8541 -24.3025 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4485 14.8587 -23.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3670 13.8263 -24.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0289 14.4158 -23.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0777 13.4982 -24.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9025 13.1121 -25.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1835 13.6092 -25.4373 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0232 11.6667 -25.7835 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1429 10.9570 -26.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8294 9.6508 -26.0855 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5124 9.5599 -25.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0035 10.8230 -25.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6624 10.9282 -25.5131 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8717 9.8399 -25.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3753 8.6049 -25.6866 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7018 8.4530 -25.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2529 7.1573 -26.0897 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8811 12.3810 -23.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8623 14.2662 -22.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.9788 15.4589 -24.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6624 14.3120 -23.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1433 14.4511 -23.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2454 13.5272 -24.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3104 12.4501 -24.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2328 13.1402 -23.9296 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9679 11.4981 -25.4466 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2172 11.5202 -26.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7023 10.4157 -27.2947 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1302 9.6875 -26.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2939 10.3636 -25.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7880 9.8202 -24.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1448 8.6440 -24.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9864 7.9813 -25.2238 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4584 8.4645 -26.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3007 7.7821 -27.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7318 14.2693 -25.9428 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8324 13.8221 -22.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.3205 13.8346 -21.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8421 14.3244 -23.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0019 14.6596 -24.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3721 13.2853 -24.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1497 12.4874 -24.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1520 13.3810 -23.9092 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6590 11.6605 -25.3331 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4734 11.9377 -26.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9866 10.8359 -27.2457 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8474 9.8513 -26.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2711 10.3712 -25.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2429 9.5760 -24.0512 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8149 8.3028 -24.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4089 7.8160 -25.2689 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4051 8.5313 -26.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9656 7.9839 -27.6444 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6983 13.2870 -25.9661 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5154 15.4821 -25.1042 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4844 13.9011 -21.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3624 13.8590 -23.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2761 14.7802 -23.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8196 13.9775 -25.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9090 12.5819 -24.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1279 12.6103 -23.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7518 11.5415 -25.4907 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1426 11.5067 -26.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7957 10.3249 -27.3296 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1752 9.5916 -26.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1449 10.3484 -25.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5667 9.8501 -24.1349 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0109 8.6303 -24.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0436 7.8977 -25.2227 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5980 8.3213 -26.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6359 7.5614 -27.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5443 14.2973 -25.5363 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7378 16.0267 -24.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6064 14.2539 -24.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3698 14.0530 -23.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1834 14.5468 -24.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1269 13.5005 -24.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9078 12.3532 -23.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1504 12.7706 -23.5293 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0450 11.2682 -24.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1509 10.9743 -25.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8286 9.9005 -26.3408 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5532 9.5460 -26.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0448 10.4174 -25.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7671 10.2677 -24.7535 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9560 9.3006 -25.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4400 8.4428 -26.1389 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7147 8.5582 -26.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2666 7.6671 -27.5503 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2345 14.0050 -23.4811 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7808 15.7821 -24.2178 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.1323 14.0051 -21.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6198 13.6410 -23.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3494 14.7195 -24.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5269 13.9324 -25.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5493 12.5214 -24.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9212 12.5611 -23.6005 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9650 11.5633 -25.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7855 11.6062 -27.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1879 10.4741 -27.4765 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9779 9.6907 -26.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4627 10.3642 -25.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3811 9.8044 -24.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8339 8.5925 -23.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3641 7.9423 -24.9782 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4163 8.4433 -26.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9238 7.7688 -27.3631 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4524 14.2315 -26.1729 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2776 15.7461 -23.9573 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.5207 14.0087 -21.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1190 13.7083 -23.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5878 14.7255 -24.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0115 13.8244 -25.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8720 12.5714 -25.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8380 12.4602 -23.7598 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3505 11.4393 -25.8344 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6984 11.1131 -27.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0226 9.9984 -27.4407 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2718 9.6382 -26.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4660 10.5416 -25.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8176 10.3950 -24.2023 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9666 9.3785 -23.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7753 8.5016 -24.9929 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3993 8.6054 -26.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1500 7.6378 -27.1893 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6754 13.5418 -25.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5845 15.5188 -23.7232 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7864 14.7801 -22.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4649 14.3310 -24.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0152 14.5795 -24.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4065 13.2249 -24.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5627 12.2890 -24.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7177 12.9950 -24.3875 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3642 11.2390 -25.1607 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1372 10.8262 -26.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5516 9.8077 -26.8174 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3788 9.5781 -26.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2479 10.4694 -25.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1394 10.4259 -24.4158 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1659 9.5356 -24.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3147 8.6752 -25.6801 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3964 8.6612 -26.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5271 7.7436 -27.5472 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4827 12.9705 -25.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4678 15.4763 -23.5414 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1982 13.8559 -21.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3040 13.9193 -23.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0361 14.4464 -24.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1866 13.9311 -25.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2853 12.9343 -24.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9522 12.6239 -23.4614 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1163 11.8010 -25.5127 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0171 11.8957 -26.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8681 10.6472 -27.3466 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8752 9.7842 -26.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0320 10.5075 -25.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0641 9.8165 -24.0079 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9455 8.4550 -24.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7940 7.7681 -25.1426 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7549 8.4066 -26.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5962 7.7276 -27.5584 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0038 13.2496 -26.2986 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0974 15.8379 -24.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3707 14.2575 -23.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3571 14.5061 -24.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9714 14.6464 -23.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4818 13.2045 -24.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0680 12.9456 -25.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3426 13.4243 -25.2582 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0613 11.5440 -25.7203 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1244 10.8934 -26.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7890 9.6122 -26.4192 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4924 9.4474 -26.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0503 10.6659 -25.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7654 10.7537 -25.1906 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9429 9.6906 -25.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3872 8.4852 -25.6237 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6587 8.3324 -26.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1481 7.0795 -26.5195 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1221 13.1038 -23.9584 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9936 15.0155 -22.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4476 14.5896 -23.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1856 13.8838 -23.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0114 14.6737 -23.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6977 13.8423 -24.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9359 12.4564 -24.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1518 12.6380 -23.6804 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9325 11.4211 -25.2799 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6691 11.2607 -26.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3268 10.1269 -27.0164 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3394 9.5424 -26.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0967 10.3427 -25.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1396 9.9854 -24.3685 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4090 8.8605 -24.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6248 8.0520 -25.5583 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5791 8.3910 -26.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8328 7.5621 -27.5626 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4076 14.0109 -25.3364 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3396 15.9684 -23.9708 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.6320 13.4293 -21.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1185 13.2311 -23.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1405 14.5294 -23.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9827 13.9624 -25.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7789 12.6897 -25.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9236 12.4044 -23.8535 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2121 11.5936 -25.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2114 11.3520 -27.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5681 10.2105 -27.5358 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1326 9.6873 -26.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5410 10.5620 -25.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2056 10.2252 -24.1156 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5141 9.1099 -23.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1132 8.2556 -24.7829 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4214 8.5424 -26.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0277 7.6798 -27.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5355 14.7939 -26.2627 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0683 15.3496 -23.5684 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.5856 14.0159 -21.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9617 13.9867 -23.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9425 14.4798 -24.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5324 13.7329 -25.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3002 12.9806 -24.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6499 12.7142 -23.5598 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0390 11.8014 -25.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6106 11.8298 -26.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4575 10.5822 -27.3724 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7939 9.7457 -26.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1584 10.5146 -25.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5546 9.9870 -24.1226 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5931 8.6332 -24.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2423 7.8446 -25.0572 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8431 8.3726 -26.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4696 7.5785 -27.3489 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1310 14.5797 -26.3629 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2615 14.2285 -23.7721 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4560 13.7393 -21.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1031 13.6659 -23.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4225 14.6996 -24.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7431 13.8323 -25.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7040 12.6344 -25.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8810 12.4330 -23.7622 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1647 11.5211 -25.8152 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2861 11.3247 -27.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6594 10.1801 -27.4667 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1261 9.6158 -26.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4449 10.4649 -25.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0567 10.1935 -24.0832 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3413 9.0539 -23.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0242 8.2211 -24.9102 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4000 8.4662 -26.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1001 7.6354 -27.2747 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6791 14.4353 -26.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5347 15.4915 -23.3642 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.3991 14.2648 -21.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7629 13.7139 -23.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5564 14.7928 -24.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0999 13.9678 -25.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3312 12.8753 -24.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0576 12.6085 -23.4888 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1608 11.7603 -25.4967 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1063 11.8657 -26.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9397 10.6303 -27.3714 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8866 9.7286 -26.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0267 10.4534 -25.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0113 9.8024 -24.0301 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8599 8.4591 -24.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7229 7.7527 -25.1546 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7316 8.3570 -26.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5919 7.6594 -27.5856 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1887 13.3948 -25.9468 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6934 15.5212 -24.4136 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8604 14.6224 -22.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5452 14.1828 -23.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2227 14.7664 -24.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3806 13.5902 -24.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2167 12.4159 -24.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5092 12.8327 -24.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0657 11.3901 -25.2705 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7360 11.2321 -26.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2428 10.1252 -27.0444 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2676 9.5969 -26.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1507 10.3915 -25.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2269 10.0599 -24.2426 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4198 9.0030 -24.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5408 8.2357 -25.4555 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4358 8.4936 -26.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5601 7.6833 -27.5761 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1154 13.5327 -26.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6306 15.4538 -23.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5538 14.6172 -23.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4055 14.2613 -24.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0867 14.2472 -23.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3584 13.0595 -23.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2083 12.8227 -25.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5050 13.0035 -24.6275 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1374 11.4929 -25.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1023 10.8804 -26.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6837 9.6202 -26.7061 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4581 9.4512 -26.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1175 10.6262 -25.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9378 10.7735 -24.9281 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1004 9.7101 -24.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4071 8.5588 -25.5878 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5971 8.3730 -26.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9196 7.1548 -26.8837 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1017 13.5175 -24.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4465 15.4381 -23.5588 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6162 14.0157 -22.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3046 13.8958 -23.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0394 14.6277 -23.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4024 13.6447 -24.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6039 12.7664 -25.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1196 12.5603 -23.9513 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2239 11.5337 -25.8814 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6691 11.1011 -27.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1095 9.9125 -27.3625 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2913 9.5557 -26.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3795 10.5955 -25.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6591 10.5031 -24.3238 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8593 9.4536 -24.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7922 8.4666 -24.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4792 8.4620 -26.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4025 7.4110 -27.0843 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9103 14.2864 -26.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2650 14.8162 -22.8176 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7961 14.0632 -21.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1461 13.7679 -23.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3796 14.6710 -24.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3096 13.8353 -25.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0134 12.5435 -25.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7188 12.5071 -23.6576 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4004 11.4773 -25.7496 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6386 11.2422 -27.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8926 10.1634 -27.4163 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1901 9.7199 -26.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5303 10.5694 -25.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9419 10.3196 -24.1336 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0747 9.3127 -23.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7338 8.4805 -24.9488 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2866 8.6803 -26.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9974 7.8584 -27.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9951 13.5043 -25.7906 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0818 14.8918 -23.7479 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.5775 14.5650 -21.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4478 13.8556 -22.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7612 14.7823 -24.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5980 13.8705 -25.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5441 12.5048 -24.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8077 12.7583 -23.5475 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9144 11.5385 -25.5661 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6850 11.7220 -26.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0783 10.5994 -27.3505 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9198 9.7035 -26.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4594 10.3267 -25.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4134 9.6002 -24.0895 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8734 8.3592 -24.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3535 7.7663 -25.1607 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3718 8.4383 -26.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8244 7.8107 -27.4719 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3956 14.2185 -25.9415 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1018 15.1883 -24.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4599 14.4255 -21.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7079 14.1630 -23.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5275 14.6588 -24.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4229 13.4436 -24.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5341 12.3357 -24.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5252 12.8145 -23.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9668 11.5956 -25.2999 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8680 11.8271 -26.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2382 10.8239 -27.2472 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9286 9.9292 -26.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3701 10.3830 -25.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1443 9.6048 -24.0355 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5116 8.4154 -24.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0864 7.9898 -25.3332 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2714 8.7079 -26.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8125 8.2323 -27.7122 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0572 13.3874 -25.7722 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6943 14.8707 -25.4759 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7902 14.9994 -25.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3716 14.6998 -24.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3647 14.3595 -23.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2735 12.8289 -23.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7494 12.5766 -24.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9836 13.5282 -25.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5193 11.2399 -25.2238 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4561 10.2866 -25.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9009 9.1490 -25.8348 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5812 9.3750 -25.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3542 10.6858 -25.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0881 11.1312 -25.5042 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0393 10.3978 -25.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2382 9.1211 -26.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4777 8.6262 -26.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6761 7.2603 -26.6474 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9355 12.4286 -23.3207 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3273 14.9141 -22.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4151 13.9743 -21.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8190 13.6895 -23.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1460 14.6438 -24.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3946 13.9368 -25.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7196 12.5286 -24.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3436 12.4672 -23.5584 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1074 11.5166 -25.7046 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0426 11.4958 -27.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3876 10.3834 -27.4616 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0427 9.7062 -26.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4893 10.4083 -25.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2461 9.9000 -24.0553 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5747 8.7215 -23.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1393 8.0357 -25.0041 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3635 8.5114 -26.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9280 7.8322 -27.3773 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2391 13.9556 -26.1567 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7290 15.9011 -24.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0919 15.0991 -23.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5041 13.8720 -24.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0759 14.1314 -24.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3385 13.3233 -23.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2941 12.1689 -23.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5245 12.8060 -23.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2237 11.2256 -24.7382 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2007 10.9575 -25.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7350 10.0267 -26.4799 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4748 9.6992 -26.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1461 10.4678 -25.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9126 10.3062 -24.5179 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9912 9.4658 -25.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3105 8.7267 -26.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5185 8.8352 -26.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9006 8.0655 -27.7917 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0810 12.9582 -24.2217 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8034 15.4729 -24.7549 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3923 14.4359 -23.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1784 13.9407 -23.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9694 14.7185 -23.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2869 13.7864 -24.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7495 12.4337 -24.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9890 12.6234 -23.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7407 11.4286 -25.0758 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5070 11.4737 -26.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2130 10.3693 -26.8846 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2873 9.6317 -26.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9817 10.3181 -25.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0675 9.7734 -24.2823 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4311 8.6255 -24.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7437 7.9751 -25.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6476 8.4343 -26.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9667 7.7415 -27.7416 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6879 13.9555 -25.8875 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2874 15.9428 -24.1807 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.8469 14.4179 -21.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5473 13.7594 -23.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6287 14.7586 -24.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4006 13.8229 -25.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3347 12.9234 -24.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8980 12.6425 -23.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1832 11.7820 -25.6088 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1896 11.8535 -26.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0264 10.6169 -27.4514 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9193 9.7828 -26.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0169 10.5075 -25.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9372 9.8797 -24.0259 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7623 8.5451 -23.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6662 7.8307 -25.0976 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7402 8.4156 -26.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6393 7.6655 -27.4905 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5323 13.0666 -25.5426 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8580 15.3374 -24.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0340 14.3970 -22.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7451 13.7744 -22.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8479 14.7296 -23.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4848 13.9426 -24.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7293 12.5465 -24.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9897 12.7007 -23.8827 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6673 11.5313 -25.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1349 11.5002 -26.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8381 10.3218 -27.2811 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1631 9.5615 -26.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0646 10.3300 -25.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4264 9.8089 -24.2049 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8832 8.5833 -24.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9764 7.8323 -25.2975 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6057 8.2972 -26.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6949 7.4969 -27.5451 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4326 14.3086 -25.9369 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4090 15.9452 -24.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.3862 13.8305 -21.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8256 14.0549 -23.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8965 14.5013 -24.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7173 13.5357 -25.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2985 13.0230 -24.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3485 12.8241 -23.6122 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0153 11.8238 -25.7267 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5468 11.8392 -26.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3986 10.5654 -27.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7780 9.7650 -26.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1682 10.5703 -25.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6097 10.0548 -24.1411 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6660 8.7312 -23.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2881 7.9388 -25.0035 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8453 8.3931 -26.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4431 7.5639 -27.2613 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7272 14.1476 -26.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1682 14.4454 -23.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.3931 16.0988 -25.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9746 14.8318 -24.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8136 14.4178 -23.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7236 12.8864 -23.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7577 12.6858 -24.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1288 13.7367 -25.4658 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8785 11.4035 -25.2251 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0075 10.8805 -25.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7009 9.6694 -26.2198 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3883 9.3955 -26.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8745 10.5278 -25.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5421 10.5166 -25.1105 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7594 9.4720 -25.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2868 8.3995 -26.0402 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5828 8.3279 -26.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0698 7.1759 -27.0139 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9614 12.3311 -23.6759 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2835 14.8509 -22.2222 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5724 15.2081 -25.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3333 14.4737 -24.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8985 14.5406 -23.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2344 13.4028 -24.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4067 12.8770 -25.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4899 13.1122 -24.3265 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2838 11.4718 -25.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3193 10.6234 -25.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8460 9.3764 -25.8704 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5078 9.4126 -25.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1693 10.7305 -25.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8693 11.0597 -25.6289 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9033 10.1553 -25.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2641 8.8858 -26.0862 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5319 8.4460 -26.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8937 7.0976 -26.3928 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7373 12.4448 -23.5083 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8661 14.2899 -22.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8438 15.7424 -24.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6204 14.8751 -24.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2558 14.3302 -23.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2705 13.2400 -23.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6531 12.9915 -25.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8592 13.6976 -25.3977 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8675 11.5996 -25.4841 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0776 10.9879 -25.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8158 9.6899 -25.8993 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4901 9.4743 -25.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8890 10.6910 -25.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5321 10.7572 -25.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7578 9.6685 -25.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3548 8.4818 -26.0658 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6954 8.3662 -26.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3340 7.1245 -26.3919 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4367 12.1357 -22.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3734 13.7546 -22.7567 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9482 15.5639 -24.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4971 14.1153 -24.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6444 13.9620 -23.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3712 13.3353 -23.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7000 12.9946 -25.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7924 13.7340 -25.6146 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8532 11.5834 -25.4572 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0438 10.9455 -25.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8026 9.6400 -25.7278 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4741 9.4340 -25.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8764 10.6845 -25.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5369 10.7643 -25.7382 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7874 9.6675 -25.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3605 8.4412 -26.1423 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6963 8.3246 -26.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3124 7.0601 -26.2562 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0088 12.2109 -23.0888 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4212 15.1471 -22.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9809 15.6171 -24.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4675 14.3140 -24.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0386 14.4694 -23.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5491 13.0420 -23.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2408 12.7614 -25.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5031 13.2777 -24.9762 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2240 11.3867 -25.4839 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2799 10.6021 -25.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8258 9.3668 -26.0413 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4817 9.3419 -25.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1214 10.6290 -25.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8027 10.8664 -25.4974 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8535 9.9394 -25.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2345 8.6986 -26.0343 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5307 8.3659 -26.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8672 7.0553 -26.5455 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1678 12.9892 -23.9071 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9578 14.8849 -22.2893 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3671 14.8177 -23.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1089 14.7046 -24.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9464 14.5811 -23.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6550 13.0890 -23.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0022 12.8718 -25.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2107 13.5391 -25.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1072 11.4767 -25.5974 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1965 10.7559 -25.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8292 9.4994 -26.1401 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4990 9.3795 -25.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0591 10.6419 -25.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7234 10.7857 -25.4343 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8498 9.7901 -25.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3018 8.5654 -25.8787 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6088 8.3086 -26.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0933 7.0305 -26.4648 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3420 12.7954 -23.5184 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2267 14.9756 -22.4271 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5239 15.0169 -23.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2839 14.1918 -23.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2227 14.6187 -24.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3214 13.3936 -24.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2403 12.3136 -24.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5167 12.8681 -24.0366 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1985 11.2132 -25.0268 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1643 10.7780 -25.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7017 9.7261 -26.5523 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4296 9.4608 -26.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1326 10.4154 -25.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8832 10.3457 -24.6904 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9873 9.4209 -25.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3024 8.5049 -26.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5207 8.5073 -26.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8529 7.5392 -27.5787 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2885 13.5344 -23.6718 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5564 15.7593 -24.1783 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.6098 14.2882 -22.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9729 13.1760 -23.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2299 13.4708 -23.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8055 13.5683 -25.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3680 13.1411 -25.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9459 13.0239 -23.9808 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1540 11.8867 -25.9518 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8829 11.7300 -27.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7450 10.4188 -27.5508 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9341 9.7666 -26.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1910 10.6616 -25.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4071 10.1765 -24.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3919 8.8826 -23.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1444 7.9937 -24.8128 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9186 8.4162 -26.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6565 7.5019 -27.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9811 14.8772 -25.7259 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7884 14.6279 -23.3508 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4300 14.5275 -23.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2045 14.6372 -24.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9835 14.6413 -23.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6507 13.1428 -23.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9619 12.8882 -25.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1363 13.5630 -25.4888 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0178 11.4965 -25.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1386 10.8303 -25.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8477 9.5418 -26.1532 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5256 9.4103 -25.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9989 10.6348 -25.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6594 10.7292 -25.4009 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8324 9.6816 -25.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3470 8.4884 -25.8506 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6579 8.3219 -26.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2147 7.0639 -26.4532 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3430 12.8986 -23.4878 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1771 15.1106 -22.5052 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9646 14.2422 -22.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7938 13.4798 -22.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7688 14.4140 -23.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1223 13.4399 -24.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4073 12.7473 -25.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1467 12.5603 -23.9182 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1434 11.5720 -25.8105 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6511 11.2762 -27.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1479 10.0840 -27.3707 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3355 9.6304 -26.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3156 10.5717 -25.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5842 10.3995 -24.2817 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8482 9.3022 -24.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8378 8.3693 -25.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5594 8.5167 -26.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5625 7.5263 -27.2406 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4606 14.0748 -25.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4776 15.4016 -24.2587 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5784 14.7905 -23.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4331 14.0459 -24.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0924 14.6073 -23.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1814 13.4204 -24.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1190 12.2621 -23.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3871 12.7660 -23.6922 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0420 11.2890 -24.9327 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9222 11.1507 -25.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5226 10.1272 -26.7465 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3792 9.6090 -26.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0977 10.3510 -25.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0133 10.0861 -24.3787 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1739 9.0904 -24.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4544 8.3734 -25.8323 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5310 8.5981 -26.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7899 7.8233 -27.7578 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6776 13.4790 -25.3743 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7319 15.7386 -24.4592 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4081 13.4528 -22.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1789 13.8135 -22.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4878 14.7798 -24.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1128 13.9691 -25.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4078 12.5657 -24.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7196 12.6400 -23.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9119 11.5361 -25.5908 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9057 11.5896 -26.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3692 10.4541 -27.4141 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0442 9.6985 -26.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3792 10.3642 -25.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1455 9.7989 -23.9816 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5815 8.5787 -23.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2488 7.9153 -25.0804 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4669 8.4475 -26.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1309 7.7816 -27.5002 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8918 14.2881 -26.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7364 15.9346 -23.9879 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9478 14.3212 -21.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5556 14.2934 -23.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5813 14.8700 -24.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5258 13.8963 -25.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1615 12.6276 -24.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2093 13.0462 -23.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6405 11.6336 -25.5529 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3689 11.7837 -26.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8907 10.6059 -27.3557 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8571 9.7034 -26.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3319 10.3698 -25.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3955 9.6611 -24.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0237 8.3708 -24.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5715 7.7667 -25.1257 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4659 8.3767 -26.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9789 7.6873 -27.4655 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7404 13.8085 -26.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8806 14.7857 -23.6942 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0484 15.3955 -24.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6696 14.8290 -24.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5784 14.1981 -23.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5214 13.1318 -23.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5021 12.9526 -24.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4424 13.8048 -25.5023 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7524 11.5863 -25.3766 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9515 11.0476 -25.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8266 9.7554 -26.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5246 9.4620 -25.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8425 10.6106 -25.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5037 10.5414 -25.4433 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8754 9.3898 -25.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5268 8.2903 -26.0789 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8540 8.2728 -26.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5745 7.1136 -26.6168 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3279 13.5905 -22.9579 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8049 13.6359 -22.9415 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6191 15.8099 -25.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5882 14.7500 -24.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3148 14.4794 -23.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9997 12.9817 -23.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9239 12.7211 -24.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0099 13.4924 -25.3176 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0145 11.3526 -25.2108 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1078 10.5694 -25.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7439 9.3278 -25.6408 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4158 9.3050 -25.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9698 10.5946 -25.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6502 10.8142 -25.7632 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7893 9.8677 -26.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1956 8.6188 -26.4426 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5065 8.3570 -26.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9554 7.0394 -26.5741 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1062 12.3306 -22.8078 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2163 15.1964 -22.9265 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1893 14.9384 -24.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3033 13.7041 -24.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8402 14.0711 -24.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3925 13.3291 -23.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3734 12.2062 -23.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5621 12.9299 -23.5787 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2910 11.2638 -24.4847 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3590 10.8117 -25.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9075 9.9500 -26.0793 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5769 9.8491 -25.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1991 10.6902 -24.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8716 10.7472 -24.7089 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9440 10.0419 -25.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3484 9.2289 -26.3636 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6641 9.1033 -26.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0905 8.2550 -27.7424 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0731 13.0068 -23.4079 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1411 13.4811 -25.7416 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4960 15.9243 -25.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8335 14.8046 -24.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7667 14.3347 -23.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1819 12.9724 -23.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8619 12.5810 -24.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5187 13.7418 -25.1179 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9105 11.4162 -25.2421 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8923 11.0700 -26.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5362 9.8998 -26.6372 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3366 9.5039 -26.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9302 10.4718 -25.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7540 10.3009 -24.6337 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9741 9.2088 -24.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3963 8.2739 -25.7528 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5552 8.3847 -26.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9990 7.4135 -27.3238 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1601 13.2562 -24.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0237 14.0495 -22.0929 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6142 13.8183 -22.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4113 13.8595 -23.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6887 14.8020 -24.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3017 13.9729 -25.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4578 12.8800 -24.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1984 12.6147 -23.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3402 11.7377 -25.5701 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5636 11.7520 -26.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3610 10.5188 -27.3706 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0044 9.6833 -26.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9973 10.4869 -25.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6636 9.8648 -24.0828 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3532 8.5581 -24.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3640 7.7928 -25.1329 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6859 8.3418 -26.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7027 7.5549 -27.4935 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4783 13.4014 -25.8694 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9407 15.9679 -24.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9823 15.6503 -24.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5691 14.2811 -24.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3234 14.2983 -23.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8170 12.8674 -23.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2140 12.7194 -24.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4067 13.3760 -25.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2169 11.3614 -25.3492 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2418 10.5355 -25.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7891 9.3324 -26.0246 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4377 9.3734 -26.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1079 10.6323 -25.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7792 10.9140 -25.4841 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8695 9.9776 -25.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1830 8.7396 -26.2013 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4807 8.4182 -26.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9096 7.1441 -26.7394 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4367 12.8005 -23.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3624 15.1865 -23.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2452 15.2183 -24.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3228 14.2541 -24.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9123 14.5313 -24.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2149 13.2257 -24.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3544 12.2756 -24.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5087 12.9442 -24.4315 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2202 11.0950 -24.8238 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2751 10.3715 -25.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8484 9.3351 -25.9798 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4992 9.3545 -26.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1304 10.4634 -25.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8357 10.7465 -25.1507 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9247 9.9402 -25.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2713 8.8520 -26.4435 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5554 8.5251 -26.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9864 7.3900 -27.3572 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6677 13.4574 -22.8473 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3541 15.6282 -23.9037 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.3353 14.1415 -21.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9957 13.7308 -23.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7997 14.7959 -24.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5294 13.9337 -25.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6994 12.8510 -24.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4947 12.5531 -23.6393 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4803 11.7592 -25.6137 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6207 11.7188 -26.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3152 10.4936 -27.4158 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9677 9.7064 -26.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0751 10.5090 -25.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7860 9.9919 -24.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3984 8.7082 -23.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2981 7.9369 -25.0519 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5699 8.3824 -26.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4622 7.5630 -27.4539 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6862 13.3764 -25.9399 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6131 15.4562 -23.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5972 14.3697 -23.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3768 13.5523 -23.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0947 14.2118 -23.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0956 13.3655 -24.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8926 13.0682 -25.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1744 13.5805 -25.3388 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0009 11.6750 -25.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0616 11.0725 -26.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7782 9.7619 -26.5396 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5530 9.4888 -26.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0677 10.7249 -25.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8434 10.7855 -25.0849 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0814 9.6813 -24.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5565 8.4789 -25.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7767 8.3597 -25.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3010 7.1210 -26.4018 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9923 14.1770 -24.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8830 14.1336 -22.1532 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.7937 14.4280 -21.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5535 13.7039 -22.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9328 14.6595 -24.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4879 13.8866 -25.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5191 12.4677 -24.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7809 12.6993 -23.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8940 11.5143 -25.5905 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6799 11.6538 -26.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0691 10.5517 -27.3773 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8815 9.6956 -26.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4140 10.3278 -25.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3306 9.6297 -24.0997 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7837 8.4135 -24.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2831 7.8363 -25.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3166 8.4485 -26.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7783 7.8101 -27.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3672 14.0341 -26.3608 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2613 15.8477 -23.9338 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7451 13.8107 -21.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2071 13.7524 -23.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5904 14.8254 -24.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9409 14.0022 -25.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6754 12.6959 -24.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8713 12.5342 -23.7487 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4714 11.6455 -25.4157 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5853 11.7436 -26.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3212 10.5598 -27.3297 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0309 9.6751 -26.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1291 10.3683 -25.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8871 9.7188 -24.0275 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5553 8.4065 -24.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4574 7.7234 -25.2301 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6909 8.3299 -26.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5961 7.6361 -27.6531 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8004 14.5752 -25.6836 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5717 15.6049 -24.6672 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5956 15.3052 -25.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3141 14.6973 -24.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4190 14.3508 -23.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3570 12.8368 -23.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7951 12.5521 -24.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1069 13.5131 -25.4854 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5091 11.2251 -25.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4225 10.2365 -25.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8184 9.1055 -25.7658 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5078 9.3408 -25.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3293 10.6617 -25.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0946 11.1850 -25.5694 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0621 10.4005 -25.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2354 9.1111 -26.2982 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4645 8.5257 -26.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6607 7.1755 -26.6464 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0184 12.4903 -23.1478 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4164 14.8948 -22.5607 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6253 14.3819 -23.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3017 14.5843 -24.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1988 14.4669 -23.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9090 12.9648 -23.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0095 12.8612 -25.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1126 13.6019 -25.3906 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0865 11.4894 -25.4682 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2227 10.8478 -25.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8615 9.5925 -26.0907 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5348 9.4602 -25.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0210 10.6754 -25.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6816 10.8400 -25.4028 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8245 9.8183 -25.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2924 8.6216 -25.9957 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6157 8.4375 -26.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0641 7.1699 -26.5949 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6705 12.6298 -23.0711 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0947 15.1647 -23.8856 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1000 14.7851 -23.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0331 13.7695 -23.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7332 14.2745 -23.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7707 13.7852 -25.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8623 12.7501 -25.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2261 12.5677 -23.7729 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4975 11.5194 -25.7321 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1605 10.9135 -26.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4899 9.7845 -27.0339 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4029 9.6490 -26.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4213 10.7578 -25.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4233 10.8767 -24.5156 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4398 9.9671 -24.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4449 8.8955 -25.2069 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4127 8.7231 -26.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4438 7.6033 -27.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5666 13.3257 -25.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6984 13.6603 -22.9837 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9572 13.5991 -21.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1312 13.9674 -23.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9427 14.6983 -24.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6555 13.8722 -25.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5568 12.4885 -24.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6849 12.7904 -23.6424 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9905 11.5132 -25.5807 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9092 11.6210 -26.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3095 10.4955 -27.3845 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0179 9.6926 -26.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4556 10.3504 -25.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2507 9.6930 -24.0532 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6614 8.4823 -24.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2387 7.8510 -25.1268 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4172 8.4548 -26.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9743 7.7939 -27.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4061 14.2262 -25.8013 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5677 16.0182 -24.2692 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4780 15.0249 -23.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3154 14.0753 -23.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0876 14.7228 -24.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3169 13.5808 -24.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1662 12.3843 -24.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4657 12.8793 -24.0734 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0902 11.3244 -25.1728 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8880 11.0104 -26.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4496 9.9288 -26.8574 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3390 9.5039 -26.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1130 10.3720 -25.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0524 10.1776 -24.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1889 9.1640 -24.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4318 8.3326 -25.6404 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4630 8.4453 -26.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7191 7.5710 -27.5602 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1397 13.7144 -25.9407 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4222 15.3960 -22.9909 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1747 15.1346 -24.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3472 14.2592 -23.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9086 14.6478 -23.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2238 13.4598 -24.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3834 12.8406 -25.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4348 12.9607 -24.3241 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2033 11.4580 -25.5365 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2688 10.6422 -25.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8151 9.4246 -26.0437 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4925 9.4281 -25.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1094 10.7023 -25.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8286 10.9986 -25.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9104 10.0304 -25.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2669 8.7630 -25.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5556 8.4076 -26.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9607 7.0939 -26.4683 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7070 12.6069 -23.5448 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5363 14.7499 -22.4791 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1027 13.7589 -22.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6046 13.8453 -22.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2319 14.7356 -24.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4716 13.8491 -25.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7818 12.5130 -24.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1216 12.5995 -23.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2716 11.4743 -25.4591 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6242 11.3503 -26.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9966 10.3082 -27.2743 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2384 9.7619 -26.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4063 10.4885 -25.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7734 10.1819 -24.0341 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9485 9.1081 -24.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7643 8.3715 -25.1753 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3864 8.6671 -26.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2515 7.9527 -27.5149 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2818 13.6587 -26.0272 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8697 14.9833 -24.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.1684 15.9427 -24.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6856 14.5969 -24.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3660 14.1740 -23.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4392 12.6643 -23.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6520 12.6226 -24.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8230 13.6003 -25.3764 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4486 11.3282 -25.4361 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3824 10.5428 -26.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8451 9.3857 -26.4261 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5388 9.4720 -26.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2712 10.6710 -25.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0169 10.9593 -25.0819 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0254 10.0783 -25.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2871 8.9057 -25.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4993 8.5608 -26.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7596 7.3166 -26.9381 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2280 12.1244 -22.9942 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6904 14.6622 -23.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.5299 14.1096 -21.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1135 13.7452 -23.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6603 14.7548 -24.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1190 13.8643 -25.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8519 12.5630 -25.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6856 12.4926 -23.6894 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3110 11.4432 -25.7729 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6035 11.1766 -27.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9335 10.0566 -27.4375 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2078 9.5978 -26.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4605 10.4820 -25.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8719 10.2917 -24.1777 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0461 9.2304 -24.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7883 8.3614 -25.0186 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3490 8.5094 -26.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1179 7.6316 -27.2924 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7692 13.6720 -25.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7081 15.6256 -23.7858 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5849 15.0057 -24.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5326 14.1104 -23.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1976 14.1482 -23.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3883 13.1175 -23.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3532 12.7379 -24.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5814 12.7857 -24.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1979 11.4171 -25.4559 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2427 10.7515 -26.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8032 9.5548 -26.4085 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4932 9.4204 -26.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1294 10.6119 -25.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8661 10.7894 -25.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9711 9.7730 -25.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3267 8.6145 -25.8558 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5867 8.3934 -26.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9899 7.1929 -26.9112 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2605 13.7828 -24.3419 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6218 15.4008 -23.1154 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.0081 15.1117 -22.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7547 13.8279 -23.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0394 14.1961 -23.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0639 13.2120 -24.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5726 13.0390 -25.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0646 12.9666 -23.8884 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3438 11.8368 -25.9314 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2964 11.7304 -27.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0620 10.4395 -27.5718 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9622 9.7367 -26.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1408 10.6208 -25.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0938 10.1991 -24.0911 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8694 8.8975 -23.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6968 8.0442 -24.8606 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7319 8.3976 -26.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5540 7.5222 -27.2316 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7239 13.7564 -25.9924 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1488 14.0733 -22.9444 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2319 14.5462 -25.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7235 14.7349 -25.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2098 14.7317 -23.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9965 13.2318 -23.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4660 12.8958 -24.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1088 13.7127 -25.7535 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7117 11.5280 -25.2157 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9360 10.9669 -25.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8156 9.6604 -25.6277 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5131 9.3880 -25.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8485 10.5590 -25.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5137 10.5482 -25.6838 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8645 9.4122 -26.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5050 8.2598 -26.3121 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8667 8.2297 -26.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5787 7.0358 -26.4596 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1022 12.9388 -22.4768 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1346 15.2282 -22.7605 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6575 14.6686 -23.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3060 14.4532 -24.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2434 14.0980 -23.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4143 13.0804 -23.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1302 12.9069 -25.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4365 13.3440 -25.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1352 11.5112 -25.6814 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1604 10.8046 -26.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7633 9.5300 -26.4483 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4874 9.4031 -26.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0977 10.6380 -25.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8335 10.7807 -25.1937 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9738 9.7358 -25.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3460 8.5334 -25.6986 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6051 8.3341 -26.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0049 7.0790 -26.6259 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1021 13.5214 -24.1144 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4296 15.1856 -22.9031 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1578 13.8898 -21.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1337 13.8069 -22.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5209 14.7420 -24.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1548 13.8983 -25.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5388 12.5322 -24.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0219 12.5399 -23.4791 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9559 11.5064 -25.5916 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8823 11.5955 -26.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2857 10.4777 -27.3999 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9813 9.6813 -26.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4050 10.3330 -25.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2094 9.7294 -24.0424 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6062 8.5042 -23.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1882 7.8583 -25.0826 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3745 8.4468 -26.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9694 7.8459 -27.4985 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8743 14.2759 -26.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8670 15.9443 -24.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4755 15.2259 -24.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1721 14.6359 -24.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2928 14.2323 -23.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3210 13.2795 -24.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0192 12.9448 -25.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3290 13.3948 -25.1708 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0446 11.5118 -25.5566 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1468 10.7393 -25.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7913 9.4704 -25.9289 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4557 9.3782 -25.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0033 10.6727 -25.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6838 10.8485 -25.6529 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8005 9.8501 -25.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2671 8.6117 -26.0491 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5795 8.3284 -26.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0175 6.9992 -26.3542 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0838 12.1536 -23.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6434 15.3308 -22.7887 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5338 14.3136 -22.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1244 13.9075 -23.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6916 14.7991 -24.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7646 13.8748 -25.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8247 12.5820 -24.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0411 12.6334 -23.7122 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7484 11.4678 -25.2972 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4139 11.3862 -26.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1188 10.2182 -27.0892 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2583 9.5418 -26.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0340 10.3316 -25.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2076 9.9015 -24.2625 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6071 8.7103 -24.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8139 7.9189 -25.4996 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6435 8.3169 -26.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8421 7.4738 -27.6044 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4535 14.3354 -25.1155 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0055 15.8952 -23.8848 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.2882 15.7673 -25.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5492 14.7799 -24.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4645 14.4616 -23.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0188 13.1131 -23.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7498 12.5560 -24.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2644 13.6091 -25.1407 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9543 11.3604 -25.1713 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0197 10.8782 -25.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7479 9.6955 -26.3927 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4701 9.4044 -26.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9660 10.4364 -25.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6848 10.3893 -24.9604 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8873 9.3567 -25.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3542 8.3479 -26.0174 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6309 8.3610 -26.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1701 7.2926 -27.2352 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4519 12.4053 -22.7211 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4549 15.3932 -23.1457 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5056 13.9177 -22.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1663 13.8666 -22.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2243 14.8312 -24.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9624 13.9259 -25.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4791 12.5997 -24.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9084 12.6061 -23.4829 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0276 11.5398 -25.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2021 11.5530 -26.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6693 10.4212 -27.4286 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1630 9.6988 -26.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3904 10.4074 -25.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0037 9.9559 -24.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3698 8.7629 -23.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1328 8.0462 -25.0962 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5132 8.4833 -26.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2858 7.7684 -27.5065 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6253 13.8505 -25.6231 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4978 15.3733 -24.2803 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.8560 15.3913 -23.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1254 14.9268 -24.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1159 14.3533 -23.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7515 12.8721 -23.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7778 12.7718 -24.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9738 13.9001 -25.4617 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9141 11.5453 -25.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8986 11.1548 -26.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6248 9.9195 -26.7536 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4558 9.5123 -26.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0180 10.5176 -25.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8532 10.3804 -24.7887 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0623 9.2981 -24.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4814 8.3016 -25.6961 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6568 8.3892 -26.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0914 7.3362 -27.2191 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0739 12.5995 -22.3269 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3961 14.4381 -24.1312 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7463 15.7191 -25.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5749 14.8335 -24.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5905 14.4186 -23.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0479 13.0062 -23.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6536 12.8473 -24.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5978 13.6437 -25.4815 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8115 11.4496 -25.2207 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9723 10.7775 -25.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7156 9.5017 -25.7162 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3927 9.3609 -25.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8414 10.5831 -25.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4891 10.7129 -25.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7389 9.6639 -26.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2979 8.4765 -26.3407 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6287 8.2694 -26.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2169 7.0221 -26.5945 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0317 12.0637 -23.1019 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7790 15.2583 -22.5784 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4342 14.9729 -23.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4315 14.2322 -24.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0276 14.7805 -24.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2235 13.6009 -24.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0845 12.4478 -24.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3624 12.8913 -23.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9811 11.3470 -25.1193 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8429 11.1546 -26.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4126 10.0490 -26.7727 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3190 9.5656 -26.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0412 10.4032 -25.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9684 10.1171 -24.3576 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2081 9.0476 -24.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4736 8.2392 -25.6736 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5285 8.4647 -26.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8427 7.6314 -27.5699 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1885 13.7183 -25.9937 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7566 14.9446 -22.7319 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2981 13.7613 -21.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3536 13.7605 -22.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8081 14.6645 -24.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1299 14.0362 -25.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4698 12.8374 -24.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3051 12.5165 -23.6437 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3013 11.7385 -25.6352 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3613 11.8025 -26.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1474 10.5477 -27.4092 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9547 9.6960 -26.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0562 10.4760 -25.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9009 9.8635 -24.0389 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6551 8.5378 -23.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5555 7.7719 -25.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7037 8.3449 -26.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6000 7.5500 -27.4371 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1348 13.7227 -26.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3917 15.9800 -23.9385 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9758 15.5167 -24.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4854 14.0631 -24.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6354 13.8047 -23.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3333 13.3409 -23.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6722 13.0191 -25.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7583 13.7865 -25.6146 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8605 11.6141 -25.5215 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0456 10.9867 -25.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8263 9.6595 -25.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5047 9.4411 -25.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9073 10.6777 -25.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5628 10.8308 -25.6446 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8192 9.7223 -25.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3831 8.5087 -26.0296 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7162 8.3329 -26.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3194 7.0623 -26.2756 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8131 12.2323 -23.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5083 15.0088 -22.5852 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.2220 13.8944 -21.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5288 13.6650 -23.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9466 14.6871 -24.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0587 13.9609 -25.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4256 12.5702 -24.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9690 12.4778 -23.5812 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8843 11.5373 -25.7419 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7768 11.6137 -27.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2224 10.4484 -27.4705 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9842 9.6500 -26.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4108 10.3559 -25.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2989 9.8057 -24.0976 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7840 8.5933 -23.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3610 7.8878 -24.9986 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4491 8.3875 -26.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0031 7.6446 -27.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0963 14.5748 -26.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7053 15.8537 -24.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6765 14.7952 -23.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5628 14.0566 -24.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2336 14.8237 -24.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3244 13.6961 -24.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9657 12.5116 -24.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2290 12.8844 -23.8036 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9777 11.3705 -25.0562 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9602 11.0450 -25.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6332 9.9143 -26.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4285 9.5042 -26.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0267 10.4295 -25.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8287 10.2274 -24.6099 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0543 9.1844 -24.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4655 8.2878 -25.8636 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6553 8.4163 -26.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0845 7.4824 -27.4681 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0164 13.8847 -24.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0038 15.0939 -23.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5635 14.3574 -24.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0620 14.4325 -24.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6426 13.6939 -23.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2510 13.2068 -23.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4566 13.0180 -25.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4190 13.8928 -25.6469 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7894 11.6319 -25.5436 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9846 11.0975 -25.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8793 9.7767 -26.0574 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5868 9.4930 -25.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8967 10.6248 -25.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5509 10.5574 -25.4126 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9053 9.3860 -25.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5955 8.2754 -25.8509 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9216 8.2682 -26.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6665 7.1186 -26.3791 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3893 14.2813 -23.5726 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5664 14.4960 -22.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8807 13.6827 -22.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4555 13.6162 -22.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1724 14.6941 -23.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7430 13.8698 -25.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5633 12.6023 -24.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2732 12.4000 -23.5451 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1276 11.5070 -25.7176 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3938 11.3933 -27.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8225 10.2507 -27.4344 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2067 9.6555 -26.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4017 10.4597 -25.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8855 10.1116 -24.0813 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1790 8.9729 -23.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9721 8.1665 -25.0097 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4772 8.5002 -26.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2605 7.6571 -27.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0910 14.4696 -26.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2212 15.5989 -23.5536 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9205 13.7693 -22.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4627 13.8663 -22.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4054 14.7762 -24.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6190 13.7857 -25.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7586 12.4470 -24.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9681 12.6617 -23.4364 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2096 11.4388 -25.4283 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4852 11.4417 -26.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8438 10.4023 -27.3077 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1762 9.7535 -26.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3997 10.4004 -25.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8638 9.9908 -23.9849 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0785 8.8958 -24.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8388 8.2389 -25.1798 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3674 8.6368 -26.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1502 7.9885 -27.5827 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4010 13.6998 -25.9823 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1785 15.4145 -24.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2829 13.9076 -22.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4362 14.1877 -23.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0056 14.3664 -23.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3750 13.0856 -23.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2599 12.8777 -25.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5253 13.1220 -24.6744 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1363 11.5716 -25.7391 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0151 11.0172 -26.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5925 9.7547 -26.9295 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4598 9.5259 -26.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1782 10.6537 -25.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0838 10.7358 -24.7349 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2546 9.6676 -24.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4927 8.5419 -25.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5953 8.4680 -26.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8937 7.3153 -26.9424 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0706 13.3919 -24.4004 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4697 15.4174 -24.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.3975 14.5650 -22.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4737 13.8667 -22.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7719 14.7610 -24.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3527 13.8702 -25.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6475 12.5110 -24.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0270 12.6568 -23.4956 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0399 11.5224 -25.5637 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9478 11.6228 -26.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3253 10.5354 -27.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0261 9.7499 -26.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4712 10.3675 -25.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2794 9.7577 -24.0455 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6581 8.5624 -24.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2115 7.9415 -25.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3868 8.5237 -26.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9455 7.9295 -27.5251 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9950 13.9444 -25.5787 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1701 14.9202 -24.3148 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.0748 15.4609 -23.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7809 14.2353 -23.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1957 14.1920 -23.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9990 13.6294 -25.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5647 13.1333 -25.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2150 13.0516 -23.7215 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4507 11.8738 -25.7445 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8086 11.7369 -27.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5905 10.4697 -27.4029 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0978 9.7982 -26.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0118 10.6899 -25.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5490 10.2927 -24.1191 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1694 8.9863 -23.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2529 8.1086 -25.0053 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7157 8.4837 -26.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8287 7.6200 -27.3211 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8064 12.4930 -25.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0155 13.3527 -23.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9515 14.3446 -21.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9035 14.2212 -23.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2667 14.4276 -23.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0874 13.5676 -25.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2896 12.4323 -24.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4346 12.9863 -23.6535 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6907 11.5523 -25.5224 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3266 11.7522 -26.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7869 10.6218 -27.3199 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8166 9.7084 -26.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3676 10.2645 -25.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4942 9.4992 -24.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1019 8.2144 -24.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5585 7.6838 -25.2063 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4028 8.3931 -26.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8295 7.8439 -27.5211 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3209 14.3450 -26.0387 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4976 15.7499 -24.2442 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0723 14.4006 -22.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0057 13.1010 -23.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1442 13.0929 -24.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4530 13.8210 -25.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0703 13.2040 -25.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8351 13.0062 -23.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0479 11.9579 -25.9172 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9696 11.7928 -27.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9757 10.4736 -27.5463 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0591 9.7808 -26.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1043 10.7006 -25.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1895 10.2979 -24.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2306 8.9903 -23.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1861 8.0928 -24.8381 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1013 8.4254 -26.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0524 7.5072 -27.1979 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3835 15.1699 -25.0214 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2466 13.7931 -23.6959 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.8020 15.2872 -23.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6781 14.7940 -24.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0739 14.4399 -23.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2926 13.1406 -24.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8662 12.5807 -24.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1219 13.6888 -24.7179 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7345 11.5262 -25.3837 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2639 11.4818 -26.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9120 10.3341 -27.2265 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1423 9.6325 -26.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0295 10.3809 -25.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3162 9.9036 -24.1899 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7093 8.7129 -24.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8198 7.9888 -25.4069 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5220 8.3982 -26.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6414 7.6429 -27.6593 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2091 12.3172 -23.8868 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9922 15.3576 -24.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2923 13.7240 -21.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2197 13.7765 -23.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0007 14.5589 -23.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2408 13.5318 -24.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4604 12.7654 -25.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1128 12.5157 -23.8679 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1007 11.5999 -25.7968 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4496 11.3205 -27.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9395 10.1289 -27.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2563 9.6515 -26.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3649 10.5745 -25.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7436 10.2789 -24.2219 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0411 9.1529 -24.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9483 8.2632 -25.0371 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5427 8.4847 -26.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4722 7.5822 -27.3119 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5152 14.1171 -25.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4261 15.5815 -24.5617 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9545 15.5636 -24.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4015 14.2127 -24.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5532 14.3101 -23.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6254 13.1245 -23.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6375 12.8935 -24.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5555 13.7407 -25.4902 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8322 11.5081 -25.2648 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9801 10.8091 -25.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7518 9.5325 -25.6789 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4307 9.4194 -25.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8345 10.6382 -25.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5019 10.7770 -25.7237 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7718 9.7091 -26.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3545 8.5219 -26.3333 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6793 8.3079 -26.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2954 7.0601 -26.4955 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1494 11.9762 -22.8368 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8179 15.5036 -23.2609 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4673 15.5855 -25.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0405 14.5904 -24.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1031 14.3675 -23.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4431 13.0510 -23.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6371 12.3960 -24.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2030 13.3984 -25.1069 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3899 11.1907 -25.0526 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3757 10.4845 -25.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8409 9.4162 -26.2259 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5188 9.4353 -26.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2573 10.5528 -25.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9765 10.7984 -24.9473 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9684 9.9805 -25.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2555 8.8850 -26.0373 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5146 8.5712 -26.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8438 7.4306 -27.1757 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4778 13.4128 -24.6543 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8139 14.0614 -22.1139 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0499 15.9403 -25.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5617 14.6468 -24.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1920 14.3085 -23.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3159 12.7773 -23.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7444 12.5224 -24.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0461 13.5341 -25.4818 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4795 11.2204 -25.2763 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4329 10.3181 -25.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8484 9.1941 -26.0348 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5364 9.3884 -25.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2965 10.6680 -25.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0084 11.0467 -25.3654 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9843 10.2337 -25.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2263 8.9826 -26.1492 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4884 8.5415 -26.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6817 7.2273 -26.7954 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1339 12.1733 -23.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1004 14.8844 -22.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.2637 13.5169 -21.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9097 13.7521 -23.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2375 14.8454 -23.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8034 14.0963 -25.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6255 12.7228 -24.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8085 12.5835 -23.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4332 11.7010 -25.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5089 11.7493 -26.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2427 10.5085 -27.4292 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0004 9.6786 -26.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1214 10.4272 -25.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9218 9.8163 -24.0655 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6132 8.5151 -23.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4881 7.7553 -25.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6819 8.3381 -26.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5572 7.5654 -27.4529 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8749 14.1128 -26.0933 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0351 15.9233 -24.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4823 13.6105 -23.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3956 13.3855 -24.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7618 14.6704 -24.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5228 14.1075 -25.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3588 12.7868 -24.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3195 12.7051 -23.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5269 11.6478 -25.4118 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2418 11.6023 -26.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1060 10.3623 -27.0332 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3255 9.6269 -26.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9511 10.4479 -25.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1550 9.8974 -24.2557 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7367 8.6112 -24.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1111 7.8092 -25.3561 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9193 8.3190 -26.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3618 7.5593 -27.4433 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4443 14.9625 -24.9692 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4065 15.4963 -23.4406 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0983 14.0815 -21.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6847 14.1845 -23.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9312 14.5058 -24.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9152 13.3960 -25.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4283 13.0638 -25.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1473 13.0315 -23.7606 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1337 11.8493 -25.8063 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7522 11.7935 -27.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5578 10.5006 -27.4443 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8095 9.7392 -26.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1701 10.5855 -25.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4759 10.0525 -24.1591 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4373 8.7053 -23.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0846 7.9149 -24.9553 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7694 8.3620 -26.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3947 7.5021 -27.2295 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2625 13.8632 -26.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0743 14.4768 -23.2856 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.5078 14.4879 -21.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3826 13.8315 -23.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5144 14.7362 -24.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0407 13.7342 -25.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6525 12.4274 -24.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7773 12.7149 -23.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0816 11.4996 -25.5818 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1049 11.5457 -26.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4450 10.4700 -27.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9944 9.7273 -26.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4036 10.3893 -25.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0684 9.8341 -24.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3679 8.6887 -23.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9854 8.0701 -25.1262 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2748 8.5505 -26.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8496 7.8624 -27.5203 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.4407 13.9260 -25.2792 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2354 15.1121 -24.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.8651 14.1731 -21.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6725 13.5896 -23.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8591 14.6071 -24.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0431 14.0898 -25.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2553 12.9709 -24.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9716 12.5255 -23.5245 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0396 11.8652 -25.5373 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7619 11.9726 -26.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6382 10.7219 -27.3211 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8293 9.8159 -26.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0863 10.5527 -25.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3212 9.9106 -24.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3046 8.5596 -24.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0522 7.8227 -25.1287 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8132 8.4324 -26.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5520 7.6668 -27.4613 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8528 13.6321 -26.2752 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2090 14.6995 -24.4116 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1941 14.8551 -24.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3641 14.2315 -23.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9731 14.7725 -23.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3243 13.6841 -24.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0637 12.4761 -24.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3381 12.8805 -23.8149 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0117 11.3552 -25.0364 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9346 11.0398 -25.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5605 9.9367 -26.6418 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3887 9.5172 -26.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0534 10.4153 -25.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9057 10.2053 -24.5136 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0943 9.1809 -24.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4331 8.3236 -25.7848 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5724 8.4512 -26.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9012 7.5244 -27.5179 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6450 13.9845 -25.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3688 14.7744 -22.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2881 13.8195 -21.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0077 13.7589 -23.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6002 14.2419 -23.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5178 13.7630 -25.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5993 12.7008 -25.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9639 12.4630 -23.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1482 11.5164 -25.8347 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4395 11.2401 -27.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8757 10.0596 -27.4752 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2198 9.5733 -26.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4098 10.5052 -25.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8495 10.2563 -24.2141 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1264 9.1449 -23.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9405 8.2282 -24.9841 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4780 8.4325 -26.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2746 7.4681 -27.2022 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9095 14.8271 -25.9112 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4784 15.6091 -23.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0125 14.1792 -22.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3398 13.9569 -23.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0474 14.7315 -23.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3467 13.8903 -24.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7764 12.5202 -24.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0582 12.6343 -23.8483 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6791 11.5093 -25.3246 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1740 11.5243 -26.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8666 10.3650 -27.1927 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1682 9.6074 -26.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0586 10.3359 -25.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3825 9.7567 -24.1598 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8303 8.5416 -24.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9538 7.8453 -25.3939 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6108 8.3523 -26.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7089 7.5844 -27.6305 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8957 14.2409 -26.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2175 16.0325 -24.1205 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1896 15.8128 -25.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1856 14.4145 -24.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8971 14.4237 -23.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6186 12.9239 -23.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7903 12.7105 -24.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1760 13.6432 -25.4795 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8947 11.3547 -25.0156 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0237 10.6359 -25.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7500 9.3997 -25.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4424 9.3434 -25.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9099 10.5877 -25.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5943 10.7659 -25.7568 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8085 9.8039 -26.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3466 8.6187 -26.5776 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6551 8.3449 -26.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2276 7.0858 -26.6877 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9128 12.6599 -22.1494 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7040 15.0792 -23.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5379 13.0600 -23.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1469 13.6728 -23.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7570 14.5473 -24.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4005 14.0317 -25.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2854 12.7283 -24.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2578 12.6554 -23.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4668 11.6324 -25.2159 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2223 11.7279 -26.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1450 10.5149 -26.9299 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3698 9.6828 -26.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9359 10.3984 -25.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1268 9.7812 -24.2541 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7419 8.4941 -24.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1818 7.8304 -25.5042 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9948 8.3638 -26.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4508 7.6401 -27.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4035 14.9418 -24.6143 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7022 15.9046 -24.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9588 13.5835 -21.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3170 13.8589 -23.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2924 14.7849 -23.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8361 13.9901 -25.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0286 12.5942 -24.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2851 12.6782 -24.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8341 11.5584 -25.5429 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1887 11.4904 -26.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8041 10.3148 -27.3565 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1852 9.6066 -26.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2064 10.3813 -25.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6503 9.9222 -24.1294 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0795 8.7130 -24.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0446 7.9319 -25.1809 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5905 8.3666 -26.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5431 7.5292 -27.4557 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5171 14.2767 -25.4427 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7654 16.0271 -24.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8576 15.4544 -24.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3604 14.2760 -24.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9278 14.4408 -23.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3497 13.0675 -23.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5790 12.2593 -24.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4125 13.1619 -24.8471 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3632 11.0459 -24.8946 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3545 10.2133 -25.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8388 9.1734 -25.9359 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4933 9.3712 -25.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2096 10.5594 -25.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9626 11.0039 -25.2402 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9739 10.2812 -25.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2277 9.1181 -26.4512 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4820 8.6442 -26.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7937 7.4359 -27.2344 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5934 12.6454 -22.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3472 15.4562 -24.3033 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0312 15.6232 -25.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8584 14.6946 -24.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5398 14.4660 -23.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2527 12.9593 -23.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0603 12.6913 -24.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1307 13.4173 -25.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0920 11.3055 -25.1726 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1510 10.5059 -25.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7402 9.2892 -25.5052 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4333 9.3069 -25.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0111 10.6154 -25.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7303 10.8903 -25.8657 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8547 9.9701 -26.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2569 8.6869 -26.5249 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5391 8.3589 -26.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9519 7.0166 -26.5106 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1239 12.6736 -22.6266 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3693 15.1371 -23.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0692 14.3703 -22.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2987 14.0946 -23.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8583 14.4728 -23.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2972 13.6110 -24.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4884 12.8189 -25.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2503 12.7398 -24.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1933 11.5501 -25.8397 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8115 11.0390 -26.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3003 9.8272 -27.2096 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3533 9.5544 -26.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3048 10.6419 -25.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4073 10.5844 -24.4462 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6129 9.5254 -24.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6379 8.4458 -25.0903 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5139 8.4557 -26.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6044 7.3528 -27.0115 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9091 14.4146 -25.9131 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2161 14.1095 -22.5225 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4533 13.6218 -21.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4663 13.6956 -22.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9299 14.6358 -24.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6319 13.8182 -25.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6357 12.8342 -24.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2643 12.4580 -23.5584 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3760 11.7356 -25.6217 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3094 11.7532 -26.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0420 10.5091 -27.4238 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9374 9.6896 -26.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1492 10.4677 -25.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0917 9.8526 -24.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8399 8.5355 -23.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6354 7.7862 -25.0782 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6776 8.3355 -26.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4581 7.5177 -27.4483 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1347 14.5975 -26.3263 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0942 15.7642 -24.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0292 15.4590 -24.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5342 14.0370 -24.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7341 13.9621 -23.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5761 13.0715 -23.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7009 12.8861 -25.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6941 13.7022 -25.5075 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8952 11.4898 -25.4125 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0543 10.8477 -25.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8262 9.5576 -25.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5166 9.3422 -25.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9349 10.5445 -25.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6042 10.6303 -25.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8382 9.5532 -25.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4115 8.3847 -26.1003 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7421 8.2162 -26.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3248 6.9825 -26.5734 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4012 13.7317 -23.2008 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3093 15.2097 -22.7859 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0986 14.2110 -21.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7134 13.7673 -23.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4767 14.7998 -24.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0870 13.9195 -25.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6375 12.5689 -24.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1565 12.5689 -23.5512 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0818 11.5368 -25.6726 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0991 11.5358 -27.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4950 10.4243 -27.4706 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0966 9.7240 -26.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4700 10.4313 -25.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1754 9.9236 -24.0928 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5250 8.7417 -23.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1566 8.0440 -25.0575 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4267 8.5066 -26.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0182 7.7353 -27.4033 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7032 13.7597 -25.4022 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7098 15.4094 -24.4218 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3109 14.7452 -25.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8949 14.6212 -24.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8997 14.0082 -23.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6398 13.1735 -23.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4687 12.8997 -24.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1845 13.8140 -25.6493 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7684 11.5280 -25.2827 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9967 10.9987 -25.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8649 9.6840 -25.7283 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5693 9.3892 -25.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8785 10.5496 -25.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5381 10.4735 -25.6362 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8614 9.3658 -25.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5205 8.2352 -26.2235 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8875 8.2391 -26.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5381 7.0245 -26.4712 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5688 13.9107 -22.9419 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7363 14.9480 -22.4196 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5028 15.4074 -24.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3920 13.9418 -24.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7061 13.1997 -23.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2731 13.2164 -23.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5363 13.0409 -25.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6213 13.8312 -25.6427 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7747 11.6519 -25.7202 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9380 11.1639 -26.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8133 9.8319 -26.3885 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5490 9.4999 -26.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8996 10.6483 -25.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6127 10.6424 -25.1992 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9790 9.4542 -25.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5843 8.3173 -25.6118 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8776 8.3157 -26.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5196 7.1170 -26.4598 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7477 14.4640 -23.6663 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7998 13.8640 -22.1844 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4591 15.1667 -24.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6010 13.9810 -24.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5870 14.2467 -23.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6713 13.0325 -23.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7512 12.8677 -24.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7599 13.6724 -25.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8849 11.4866 -25.3368 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0446 10.8382 -25.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8020 9.5592 -25.9035 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4702 9.3839 -25.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8983 10.5867 -25.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5591 10.6670 -25.5485 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8431 9.5765 -25.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3919 8.3934 -26.2035 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7315 8.2671 -26.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3703 7.0559 -26.6112 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4171 13.3941 -22.9925 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8844 15.4324 -23.4931 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.2176 14.4220 -22.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5097 13.9631 -23.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7567 14.6275 -23.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9830 13.7041 -25.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5903 12.3907 -24.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7415 12.6232 -23.5342 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9684 11.5234 -25.5721 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8014 11.6700 -26.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1610 10.5929 -27.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9050 9.7231 -26.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4185 10.3237 -25.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2868 9.6451 -24.0982 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6940 8.4439 -24.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2070 7.8918 -25.1263 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2892 8.4898 -26.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7658 7.8899 -27.5125 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2830 13.7564 -25.6384 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5482 15.9277 -24.3494 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.5265 13.6533 -21.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6984 13.6471 -23.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5084 14.2083 -23.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9166 13.8191 -25.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7363 12.5840 -25.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7502 12.3554 -23.7397 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2033 11.4927 -25.8649 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3513 11.3354 -27.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7114 10.1991 -27.5215 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1669 9.6480 -26.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4807 10.4742 -25.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0722 10.1925 -24.0927 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3447 9.0843 -23.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0303 8.2667 -24.8881 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4205 8.5182 -26.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1036 7.6770 -27.2496 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7082 14.8706 -25.8336 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3974 15.5821 -23.7859 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8352 13.7197 -21.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8350 13.6985 -23.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5920 14.3204 -23.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7553 13.8558 -25.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6511 12.6489 -25.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8111 12.4274 -23.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1225 11.5041 -25.8071 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2584 11.3130 -27.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6657 10.1684 -27.4811 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1468 9.6278 -26.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4364 10.4643 -25.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0165 10.1360 -24.1013 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3204 8.9843 -23.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0388 8.1628 -24.9502 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4384 8.4543 -26.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1757 7.6326 -27.3205 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4545 14.8021 -26.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5730 15.6877 -23.7388 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3316 14.9315 -23.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4209 13.6994 -23.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9967 14.1689 -23.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2520 13.0969 -24.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2434 12.8752 -25.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4982 13.0764 -24.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1318 11.5469 -25.6771 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0557 10.9643 -26.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6519 9.7186 -26.7978 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4540 9.4710 -26.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1465 10.6447 -25.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9850 10.6644 -24.8675 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1245 9.6331 -24.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4462 8.5203 -25.5349 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5850 8.4042 -26.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8980 7.2306 -26.9364 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0332 13.5705 -24.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8722 15.3912 -23.8792 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.9830 15.7973 -23.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6247 14.4581 -23.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1137 14.4989 -23.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3514 13.0829 -24.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9785 12.5326 -24.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1847 13.6702 -24.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7638 11.5170 -25.4234 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1408 11.4706 -26.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7353 10.3267 -27.2935 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0832 9.6121 -26.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1061 10.3600 -25.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5021 9.8392 -24.1328 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8959 8.6431 -24.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8747 7.9212 -25.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4499 8.3642 -26.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4553 7.6325 -27.6191 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0369 13.1330 -25.5565 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8469 14.7484 -22.6997 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2391 14.1165 -22.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8464 13.8918 -22.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5670 14.6983 -24.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2142 14.0976 -24.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4411 12.6705 -24.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6022 12.6013 -23.4352 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4349 11.7332 -25.2845 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7938 11.8993 -26.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6068 10.7166 -27.1809 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1398 9.7928 -26.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0283 10.4375 -25.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5758 9.7357 -24.0666 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2440 8.4390 -24.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3431 7.7914 -25.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7896 8.4466 -26.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9268 7.8405 -27.7281 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7769 14.3453 -25.8346 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5572 14.3542 -25.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3864 14.1812 -22.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9732 13.8341 -23.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3149 14.8064 -24.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4725 13.9437 -24.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6645 12.5687 -24.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8935 12.5814 -23.7133 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6724 11.5299 -25.3322 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3044 11.5671 -26.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0638 10.3998 -27.1386 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2853 9.6483 -26.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0247 10.3519 -25.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2586 9.8349 -24.1869 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7340 8.6053 -24.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9934 7.9266 -25.4529 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7323 8.3795 -26.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0021 7.6558 -27.6485 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1211 14.2764 -24.9094 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2299 15.5171 -24.8157 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.9743 15.4281 -23.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4694 14.4841 -24.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9537 14.4691 -24.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3377 13.1342 -24.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0465 12.3657 -24.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0135 13.2324 -24.3593 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9985 11.3756 -25.2435 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7323 11.2926 -26.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3031 10.1856 -27.0238 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3217 9.5871 -26.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1306 10.3393 -25.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1803 9.9450 -24.3331 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4201 8.8566 -24.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6043 8.1132 -25.6142 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5383 8.4604 -26.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7185 7.6690 -27.6761 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8142 13.2212 -22.8648 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5703 15.4488 -23.9356 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1636 14.9298 -24.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2440 14.0463 -23.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8238 14.5452 -23.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2923 13.5684 -24.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0556 12.3135 -24.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3117 12.7802 -23.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0025 11.3113 -25.0694 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8026 11.1393 -26.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4023 10.0713 -26.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3255 9.5596 -26.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0696 10.3327 -25.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0183 9.9940 -24.3532 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2317 8.9448 -24.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5014 8.2125 -25.7405 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5290 8.4736 -26.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7996 7.6903 -27.7236 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6933 13.8482 -25.7538 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8601 15.8470 -23.9235 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8998 16.1334 -25.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1134 14.9492 -24.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5721 14.3467 -23.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8457 12.9988 -23.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4991 12.8824 -24.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2048 13.8606 -25.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7331 11.5555 -25.2892 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9371 11.0573 -25.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7525 9.7805 -26.1021 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4486 9.4944 -26.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8139 10.5979 -25.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4830 10.5391 -25.3198 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7614 9.4413 -25.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3926 8.3628 -26.1108 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7162 8.3549 -26.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3666 7.2149 -26.8382 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6559 11.9672 -22.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9310 14.0712 -23.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4062 14.0050 -22.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9250 13.8233 -22.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4492 14.7519 -24.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1753 14.0543 -24.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4157 12.6442 -24.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6276 12.5698 -23.4611 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4593 11.7112 -25.2239 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8945 11.8315 -26.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7319 10.6634 -27.1521 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1814 9.7726 -26.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0111 10.4262 -25.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4646 9.7191 -24.1083 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0958 8.4358 -24.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2763 7.8295 -25.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8142 8.4548 -26.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9760 7.7567 -27.7225 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8603 14.2688 -25.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3624 14.8899 -25.0922 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0827 15.6887 -25.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7164 14.7755 -24.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8938 14.6063 -23.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1995 13.1244 -23.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8722 12.5740 -24.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2520 13.5521 -25.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9853 11.3323 -25.0548 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0867 10.7983 -25.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7859 9.6328 -26.1953 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4549 9.4036 -26.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9747 10.4788 -25.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6489 10.5007 -25.0307 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8506 9.5095 -25.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3272 8.4600 -26.1265 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6242 8.3792 -26.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1712 7.3019 -27.1807 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6431 12.5697 -22.7397 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5576 14.9202 -22.4614 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2745 13.8328 -21.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8949 13.5523 -23.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2950 14.7894 -24.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8138 14.0667 -25.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2156 12.8404 -24.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9577 12.5706 -23.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1711 11.7446 -25.5528 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3084 11.8561 -26.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2053 10.6136 -27.3856 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0072 9.7453 -26.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9835 10.4590 -25.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7968 9.8115 -24.0249 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6311 8.4756 -23.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6503 7.7562 -25.1086 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8348 8.3690 -26.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8621 7.6456 -27.5331 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9677 13.7659 -25.9868 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2571 15.7134 -24.3196 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3689 14.4942 -23.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0561 13.7724 -23.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9257 14.5525 -23.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3344 13.5307 -24.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5866 12.7017 -25.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1067 12.5410 -23.7534 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2806 11.4673 -25.6797 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9423 10.9766 -26.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4001 9.8085 -27.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3850 9.5359 -26.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3139 10.5785 -25.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3737 10.5657 -24.4611 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4955 9.5581 -24.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5781 8.5496 -25.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4879 8.4707 -26.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5557 7.3970 -27.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9370 14.1110 -25.9085 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9988 14.9965 -22.8391 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4128 14.5273 -22.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2436 13.6539 -23.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1996 14.2295 -24.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7073 13.9806 -25.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5548 12.6294 -24.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5893 12.4507 -23.5046 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5275 11.5913 -25.4001 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9637 11.6757 -26.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7444 10.4770 -27.2555 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1823 9.6614 -26.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0307 10.3471 -25.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4833 9.7349 -24.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0892 8.4554 -24.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2316 7.7757 -25.3988 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7753 8.3476 -26.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9228 7.6299 -27.7075 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9482 14.8813 -24.2408 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5206 15.5593 -24.7861 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5030 15.2380 -25.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1338 14.9010 -24.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1232 14.5602 -23.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2088 13.0312 -23.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3805 12.7980 -24.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6363 13.8470 -25.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6404 11.5032 -25.1992 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8492 11.0911 -25.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7210 9.8203 -26.0971 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4365 9.4299 -25.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7746 10.4991 -25.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4348 10.3577 -25.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8022 9.2045 -25.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4726 8.1697 -26.0881 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7993 8.2566 -26.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5130 7.1730 -26.9091 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5222 12.6331 -23.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1754 15.0944 -22.5771 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2821 13.5345 -22.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0825 13.9967 -23.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4237 14.9179 -24.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2345 14.0136 -25.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3022 12.6408 -24.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4791 12.8585 -23.5728 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8560 11.6026 -25.5385 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8360 11.6887 -26.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3529 10.5174 -27.3624 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0726 9.7063 -26.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3971 10.4088 -25.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1876 9.7605 -24.0171 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6902 8.5020 -23.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3844 7.8453 -25.1282 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5677 8.4300 -26.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2491 7.7465 -27.5183 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9513 14.1680 -25.8787 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7781 15.2700 -24.1283 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1260 14.2908 -22.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8635 13.7715 -23.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1233 14.8001 -23.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6729 13.9583 -25.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8839 12.5708 -24.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1557 12.7203 -23.9416 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8160 11.5350 -25.4836 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3438 11.4281 -26.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0137 10.2434 -27.2738 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2514 9.5717 -26.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1323 10.3659 -25.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4081 9.9240 -24.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7887 8.7370 -24.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8919 7.9351 -25.2935 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6146 8.3392 -26.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7233 7.4913 -27.5064 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3220 14.1312 -25.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9962 15.7943 -24.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.9351 15.6230 -23.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7973 14.4327 -23.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0661 14.4904 -24.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5252 13.0510 -24.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2212 12.3263 -24.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2088 13.2727 -23.9735 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0217 11.4050 -25.1637 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6144 11.3594 -26.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1477 10.3526 -27.0975 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2117 9.6972 -26.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1533 10.3772 -25.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2755 9.9045 -24.2434 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4962 8.8265 -24.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5656 8.1691 -25.6800 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4217 8.5973 -26.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5460 7.9619 -27.8854 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2080 13.0392 -22.9029 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7114 14.7219 -25.6503 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5658 13.8414 -22.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4912 14.1524 -23.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1559 14.7772 -23.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5522 13.7625 -24.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2646 12.4973 -24.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5637 12.9593 -24.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0639 11.4229 -25.3249 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7101 11.2265 -26.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2570 10.1076 -27.0855 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3082 9.5724 -26.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1918 10.4065 -25.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2785 10.0502 -24.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5054 8.9543 -24.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6405 8.1633 -25.4653 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5263 8.4430 -26.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6230 7.5732 -27.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1796 13.6602 -24.7769 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2492 16.0378 -24.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2446 13.9858 -22.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9826 13.9520 -23.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2225 14.8516 -24.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3657 13.8989 -25.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5399 12.5495 -24.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8155 12.6636 -23.4701 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0041 11.5383 -25.5389 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0094 11.6272 -26.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4368 10.5206 -27.3866 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0577 9.7100 -26.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4185 10.3574 -25.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1512 9.7585 -24.0566 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5502 8.5601 -23.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2078 7.9475 -25.1048 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4303 8.4608 -26.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0667 7.8095 -27.5253 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1648 13.8867 -26.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4587 15.5299 -24.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.9412 15.2018 -22.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9455 14.1144 -23.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1441 14.5702 -23.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0541 13.6706 -25.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3819 12.4671 -24.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3582 13.0727 -23.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8725 11.5530 -25.5451 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7751 11.6663 -26.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2303 10.5541 -27.3937 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9645 9.6954 -26.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3755 10.3416 -25.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2097 9.6697 -24.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6780 8.4376 -23.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2934 7.8476 -25.1358 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4210 8.4394 -26.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9970 7.7666 -27.4963 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1873 14.3533 -26.0455 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2978 14.1866 -23.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0059 14.0360 -22.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7202 13.6085 -23.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1309 14.6476 -23.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5510 13.7619 -25.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5945 12.6475 -25.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7991 12.4251 -23.6897 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1685 11.4896 -25.7507 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5212 11.2059 -27.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9723 10.0588 -27.4306 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2478 9.6096 -26.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3657 10.4975 -25.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7340 10.2611 -24.1719 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9755 9.1601 -24.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8465 8.2816 -25.0258 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4655 8.4765 -26.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3567 7.5798 -27.2965 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4988 14.4253 -26.2437 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1730 15.4357 -23.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3122 15.2704 -24.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4593 14.0942 -23.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0147 14.4611 -23.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3359 13.1861 -24.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3015 12.8228 -25.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5343 13.0327 -24.6415 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2115 11.4563 -25.6336 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2175 10.7350 -26.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7615 9.4994 -26.4289 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4648 9.3995 -26.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1319 10.6557 -25.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8836 10.8545 -25.1594 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9817 9.8562 -25.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3082 8.6339 -25.7166 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5505 8.3682 -26.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9302 7.0985 -26.6832 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0595 13.4636 -24.5844 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6683 14.7197 -22.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.5708 13.8525 -21.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0241 14.0007 -23.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0263 14.6517 -24.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8751 13.7724 -25.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5713 12.4434 -24.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6748 12.7893 -23.6671 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9500 11.5147 -25.5765 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7449 11.6427 -26.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1284 10.5348 -27.3866 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9521 9.7181 -26.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4631 10.3270 -25.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3707 9.6302 -24.0647 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8068 8.4063 -24.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3195 7.8398 -25.1269 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3682 8.4554 -26.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8452 7.8344 -27.4804 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7361 14.2288 -25.9529 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6995 15.9659 -24.3065 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3673 15.0801 -23.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4088 14.1771 -24.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0220 14.7096 -24.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1810 13.4746 -24.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1351 12.3624 -24.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3785 12.8932 -23.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1225 11.3170 -25.0925 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0029 11.0365 -26.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5474 9.9673 -26.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3806 9.5443 -26.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1114 10.4018 -25.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9893 10.2048 -24.4523 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1190 9.2156 -24.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4175 8.3933 -25.7372 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5025 8.5208 -26.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7688 7.6309 -27.5544 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7816 13.5155 -25.7303 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8906 15.1632 -22.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0140 15.5366 -25.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3045 14.2795 -24.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1921 14.6079 -23.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3284 13.3489 -23.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5818 12.9903 -25.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6428 13.7371 -25.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7897 11.5630 -25.3636 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9484 10.8896 -25.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7438 9.5726 -25.4926 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4575 9.3818 -25.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8650 10.6399 -25.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5485 10.6883 -25.9327 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8124 9.6098 -26.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4118 8.4143 -26.3163 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7282 8.2513 -26.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3386 6.9682 -26.1724 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7467 12.3797 -22.8483 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6730 14.7494 -22.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0176 14.3374 -21.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5988 14.2413 -23.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6483 14.8263 -24.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3823 13.9844 -25.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1516 12.6554 -24.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3697 12.9472 -23.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6125 11.6647 -25.5944 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2813 11.8239 -26.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8043 10.6329 -27.3419 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8362 9.7236 -26.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3501 10.3979 -25.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4832 9.6909 -24.1215 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1434 8.3964 -24.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6474 7.7713 -25.1028 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4742 8.3940 -26.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9490 7.6926 -27.4008 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4783 13.9610 -26.2555 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8986 14.4667 -23.6729 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6289 15.7517 -24.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5065 14.4049 -24.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4811 14.3442 -23.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0691 12.8684 -23.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1615 12.6915 -24.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2607 13.4076 -25.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1563 11.3192 -25.2357 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2174 10.5073 -25.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7711 9.3003 -25.7296 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4475 9.3569 -25.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0439 10.6377 -25.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7341 10.9332 -25.7023 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8269 10.0288 -26.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2281 8.7941 -26.3951 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5277 8.4264 -26.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9225 7.0970 -26.6377 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8128 12.6453 -22.8345 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3311 15.0936 -23.5537 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9215 13.9344 -21.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1797 13.7407 -23.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4347 14.7207 -24.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1400 13.9031 -25.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8893 12.6331 -25.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7044 12.5096 -23.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3391 11.4925 -25.8251 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5984 11.1744 -27.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9283 10.0608 -27.4442 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2102 9.6345 -26.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4910 10.5573 -25.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9117 10.3844 -24.1833 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0869 9.3384 -23.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8028 8.4333 -24.9575 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3647 8.5734 -26.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0841 7.6417 -27.1795 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7879 13.7227 -25.5909 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2525 15.1530 -23.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3343 15.0469 -24.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3433 14.1460 -23.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9437 14.5614 -23.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2118 13.2194 -23.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2878 12.1882 -23.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5102 12.8339 -23.8639 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2021 11.2306 -24.8368 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1148 10.9549 -25.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6799 10.0099 -26.6216 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4403 9.6774 -26.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1423 10.4375 -25.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9420 10.2614 -24.4663 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0448 9.3684 -24.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3075 8.6129 -26.0097 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5093 8.7666 -26.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8527 8.0085 -27.7797 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3895 13.1614 -24.8802 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8710 15.1227 -25.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4158 13.6777 -22.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4179 14.1048 -23.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1307 14.7910 -23.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2823 13.6816 -24.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1295 12.4510 -24.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4217 12.9488 -24.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9156 11.4696 -25.2617 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4201 11.5323 -26.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9817 10.4374 -27.1485 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2231 9.7121 -26.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1687 10.3594 -25.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4557 9.8119 -24.1034 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7813 8.6593 -24.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8222 8.0101 -25.3941 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5259 8.5224 -26.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5938 7.8641 -27.6999 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9964 13.8662 -25.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4448 15.7084 -24.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.0891 13.6735 -21.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2771 13.7945 -22.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0746 14.4961 -24.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7879 13.6223 -25.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5485 12.8709 -24.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9275 12.5404 -23.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2453 11.7653 -25.6057 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9959 11.8291 -26.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7465 10.5806 -27.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8456 9.7326 -26.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1607 10.4813 -25.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3071 9.8231 -24.0733 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1555 8.4870 -24.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8487 7.7397 -25.0906 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6914 8.3670 -26.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3684 7.6618 -27.4775 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5107 14.3674 -26.3819 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5465 15.7752 -24.2368 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3999 14.0849 -23.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9482 13.7626 -22.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0951 14.7669 -23.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8580 13.9886 -25.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6743 12.5953 -24.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6665 12.5185 -23.4779 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6926 11.5623 -25.4066 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2606 11.5109 -26.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0058 10.3291 -27.1869 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2574 9.5906 -26.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0593 10.3667 -25.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3303 9.8567 -24.2141 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7966 8.6176 -24.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9970 7.8775 -25.3697 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7127 8.3066 -26.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9024 7.5007 -27.5619 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7217 14.4097 -25.6815 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7486 15.9631 -23.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2839 15.7129 -24.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5389 14.2411 -24.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6312 13.7062 -23.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4094 13.3187 -24.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9767 13.0069 -25.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2121 13.5732 -25.4679 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0286 11.5820 -25.6001 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1461 10.8627 -25.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8258 9.5821 -25.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4930 9.4404 -25.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9986 10.7208 -25.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6628 10.8807 -25.5674 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8154 9.8513 -25.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2791 8.6149 -25.9267 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6074 8.3892 -26.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1227 7.0857 -26.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7179 12.2576 -23.4429 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3773 14.7816 -22.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.8121 14.2722 -22.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5074 14.4330 -23.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9832 14.1486 -23.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3065 13.0732 -24.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0589 13.0736 -25.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0163 13.4835 -24.6271 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8258 11.7985 -26.0479 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1826 11.4426 -27.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7998 10.1709 -27.5093 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1961 9.7019 -26.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2186 10.7501 -25.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6610 10.5047 -24.2995 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0940 9.3481 -23.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0901 8.3536 -24.8663 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6190 8.4951 -26.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6349 7.4783 -27.0735 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3505 11.8160 -23.9575 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7702 15.2640 -23.8894 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5604 15.1042 -24.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4074 14.2285 -23.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0833 14.6959 -24.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3399 13.4062 -24.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3040 12.3424 -24.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5700 12.9523 -24.3263 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2868 11.1843 -25.0301 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2591 10.5755 -25.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7809 9.5038 -26.3794 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4644 9.4145 -26.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1561 10.4561 -25.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8795 10.5977 -24.8388 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9489 9.7139 -25.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2387 8.6903 -26.0618 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4940 8.5190 -26.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8827 7.4725 -27.3698 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1231 13.3484 -23.9799 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3478 15.4024 -23.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8078 14.0030 -21.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2350 13.8232 -23.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4932 14.7642 -24.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8635 13.8053 -25.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8016 12.6046 -25.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8667 12.5241 -23.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3331 11.4389 -25.8143 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7790 11.0501 -27.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1366 9.9153 -27.3788 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2940 9.5832 -26.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4292 10.5496 -25.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7040 10.4799 -24.2741 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8377 9.4654 -24.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7096 8.5255 -25.0361 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4021 8.5412 -26.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2966 7.5770 -27.1998 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6041 13.4587 -24.8545 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5332 15.4987 -23.6377 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.1219 13.9380 -21.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3945 13.3578 -23.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1405 14.3600 -24.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9201 13.6782 -25.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5253 13.1557 -25.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2558 13.0974 -23.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3121 11.8846 -25.8578 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3066 11.7808 -27.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0873 10.4940 -27.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9566 9.7984 -26.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0988 10.6777 -25.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0103 10.2325 -24.0754 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7796 8.9082 -23.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6386 8.0375 -24.8706 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7245 8.4671 -26.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5768 7.5531 -27.2385 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8480 12.6492 -25.5295 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4297 15.5377 -24.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1892 14.9941 -23.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1379 14.6114 -24.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7527 14.6789 -23.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2773 13.2437 -24.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0954 12.8660 -25.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3568 13.2984 -24.9781 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0498 11.4592 -25.6564 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1601 10.7305 -25.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8054 9.4528 -26.1436 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4746 9.3805 -25.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0067 10.6424 -25.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7018 10.8643 -25.4927 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8367 9.8477 -25.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2675 8.5999 -25.8884 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5737 8.3428 -26.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0707 7.0537 -26.4101 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6283 12.4571 -23.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7424 15.0846 -22.6658 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1847 15.4088 -24.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3987 14.2223 -23.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9344 14.5483 -23.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3000 13.1771 -24.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5131 12.2787 -24.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5652 13.0965 -24.5787 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3227 11.1648 -24.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2593 10.6053 -25.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7199 9.5760 -26.4549 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4350 9.4623 -26.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1807 10.4675 -25.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9384 10.5751 -24.6864 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9756 9.7261 -25.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2270 8.7673 -25.9682 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4371 8.5842 -26.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7072 7.5702 -27.4686 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5580 13.1195 -25.2442 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4702 15.2582 -22.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4742 15.8583 -25.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1520 14.5193 -24.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9924 14.5909 -23.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5610 13.1168 -23.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7976 12.8207 -25.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9028 13.5372 -25.4709 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9000 11.4053 -25.3353 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0569 10.7049 -25.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7538 9.4319 -25.5411 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4443 9.3296 -25.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8969 10.5827 -25.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5606 10.7525 -25.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7717 9.7318 -26.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2965 8.5030 -26.3763 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6232 8.2929 -26.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1603 6.9897 -26.3027 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4571 12.4146 -22.8109 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3260 15.0259 -22.3428 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8797 15.2673 -25.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5619 14.7949 -24.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7928 14.4858 -23.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4285 13.0254 -23.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7104 12.7524 -24.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2043 13.6408 -25.6366 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9078 11.3671 -25.0694 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0276 10.6326 -25.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7799 9.3799 -25.4692 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4908 9.3062 -25.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9390 10.5463 -25.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6198 10.7413 -25.8097 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8378 9.7617 -26.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3988 8.5614 -26.5306 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6813 8.2832 -26.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2928 7.0392 -26.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5981 12.8179 -22.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9758 15.2046 -22.6886 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0291 14.1606 -22.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7341 13.9397 -23.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6485 14.7144 -24.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3854 14.0592 -24.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4633 12.6845 -24.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5848 12.6329 -23.5834 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5182 11.6637 -25.3903 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0267 11.7388 -26.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8688 10.5528 -27.2454 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2575 9.7210 -26.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0385 10.4209 -25.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4268 9.7941 -24.1967 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0197 8.5268 -24.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2287 7.8276 -25.3794 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8321 8.4049 -26.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0318 7.6335 -27.6075 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3114 14.7578 -24.4266 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7216 14.3748 -25.2374 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.5695 13.9085 -21.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4313 13.6391 -22.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2747 14.6743 -24.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7936 13.8816 -25.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6569 12.4999 -24.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9787 12.4858 -23.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9974 11.5855 -25.7444 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6935 11.6210 -27.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0515 10.5043 -27.4313 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9474 9.7439 -26.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5249 10.3979 -25.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5161 9.7715 -24.0996 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9559 8.5530 -23.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3793 7.8885 -24.9712 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3742 8.4874 -26.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7786 7.8289 -27.2847 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1539 14.3457 -26.3858 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0495 15.7912 -23.8229 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4266 13.8645 -21.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2427 13.5571 -22.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8982 14.6764 -23.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4423 13.9043 -25.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3613 12.6926 -24.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4229 12.4128 -23.5968 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9355 11.5994 -25.7424 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0111 11.5334 -27.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5073 10.3343 -27.5054 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1254 9.6733 -26.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3930 10.4646 -25.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0822 9.9797 -24.0985 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5232 8.7617 -23.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2706 8.0085 -24.9986 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5549 8.4281 -26.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2852 7.6227 -27.3916 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6618 14.6263 -26.1929 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9828 15.4683 -24.1522 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5128 14.3751 -23.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1787 13.8838 -23.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0885 14.7331 -23.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6624 13.8699 -24.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8496 12.4896 -24.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0072 12.5946 -23.5529 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8401 11.4449 -25.2424 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6063 11.3902 -26.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2848 10.2391 -26.9853 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3338 9.5790 -26.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0539 10.3494 -25.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1178 9.8908 -24.3389 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4475 8.7364 -24.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7204 7.9849 -25.5837 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6476 8.3939 -26.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9044 7.5770 -27.5915 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3638 14.1016 -25.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5075 15.9746 -24.1369 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.3168 14.3613 -22.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7154 13.3662 -23.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3801 14.0067 -24.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3479 13.8725 -25.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3495 12.9061 -24.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6829 12.5933 -23.5145 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1817 11.7491 -25.6541 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0737 11.8020 -26.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9292 10.5271 -27.4502 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9465 9.6787 -26.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1046 10.4547 -25.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1517 9.8099 -24.0945 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0479 8.4712 -24.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8919 7.6895 -25.0895 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8419 8.3079 -26.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6786 7.5064 -27.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8004 15.1605 -25.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6861 15.3449 -23.9841 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8866 14.3831 -22.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4846 14.3415 -24.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0556 14.7500 -24.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3277 13.4218 -24.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4098 12.3958 -24.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6041 13.0472 -24.6303 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2419 11.3110 -25.2291 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0193 10.9527 -26.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5139 9.8775 -26.8921 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3929 9.5262 -26.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2184 10.4143 -25.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1582 10.3425 -24.3732 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2397 9.3747 -24.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4140 8.5091 -25.5469 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4314 8.5332 -26.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6145 7.6335 -27.4655 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5133 13.3248 -25.4699 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6011 15.4690 -23.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.6988 14.0016 -22.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8735 13.7418 -23.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9148 14.7300 -24.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1262 14.0193 -25.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6686 12.7702 -24.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7526 12.5161 -23.6908 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4180 11.6921 -25.4491 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3999 11.8371 -26.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1359 10.6270 -27.3181 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9888 9.7286 -26.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1707 10.4200 -25.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0657 9.6992 -24.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7966 8.3742 -24.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6216 7.7169 -25.2041 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7115 8.3643 -26.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5416 7.7481 -27.6361 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9938 14.7311 -25.6314 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2481 14.8904 -24.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1314 14.8542 -26.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0622 14.2443 -24.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6026 14.1825 -24.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6422 13.0146 -23.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7449 12.2011 -23.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5793 12.9842 -24.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4264 11.0205 -24.5567 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2862 9.9833 -24.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7411 9.0234 -25.4028 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5335 9.4358 -25.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3535 10.6879 -25.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2273 11.3708 -25.4829 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2719 10.8106 -26.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4298 9.5703 -26.7879 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5426 8.8529 -26.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7830 7.5613 -27.1189 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4483 12.4311 -23.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3207 15.3791 -23.6123 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.4644 14.5527 -22.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3543 13.7875 -23.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8351 14.6641 -24.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5976 13.7484 -25.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3300 13.0338 -24.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6288 12.7541 -23.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1733 11.8254 -25.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1549 11.8417 -27.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9992 10.5966 -27.4771 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9184 9.7858 -26.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0287 10.5622 -25.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9815 10.0122 -24.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8217 8.6641 -23.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7169 7.9280 -25.0299 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7583 8.4324 -26.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6398 7.5843 -27.4098 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5800 12.7778 -25.4741 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1439 15.0568 -24.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0853 14.3528 -22.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3824 14.0823 -23.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0147 14.7287 -23.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3327 13.7926 -24.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9338 12.4782 -24.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2446 12.7613 -23.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7594 11.4234 -25.2226 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3177 11.4301 -26.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9651 10.3198 -27.1012 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1751 9.5848 -26.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0571 10.2912 -25.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3072 9.7753 -24.1617 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6752 8.5751 -24.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8081 7.9028 -25.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5485 8.3641 -26.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6615 7.6290 -27.7146 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8168 14.0858 -26.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0419 16.0305 -24.1544 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9788 14.2461 -21.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4970 13.5433 -23.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1361 14.4766 -24.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9771 13.6394 -25.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5889 13.0548 -25.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5277 12.8240 -23.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3741 11.8392 -25.8004 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4502 11.7600 -27.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1989 10.4973 -27.5182 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9648 9.7871 -26.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0777 10.6403 -25.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8880 10.1675 -24.0781 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5862 8.8520 -23.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4796 8.0346 -24.9329 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6592 8.4549 -26.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5557 7.6245 -27.3276 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8552 12.5705 -25.3444 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3321 15.5958 -24.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7736 15.4087 -25.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6682 14.3628 -25.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8959 14.4509 -23.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5665 12.9717 -23.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7352 12.3009 -24.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2447 13.1249 -25.1369 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4386 11.0100 -24.7268 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1960 9.8973 -24.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6001 8.8699 -25.2807 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4537 9.3098 -25.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3503 10.6381 -25.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2546 11.3034 -25.8256 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2802 10.7012 -26.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4010 9.3910 -26.8629 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4688 8.6539 -26.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5823 7.2839 -26.8528 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4979 12.7313 -22.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7195 15.1981 -23.8913 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9881 14.6634 -22.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4324 14.4087 -24.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9553 14.6597 -24.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3938 13.2744 -24.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5621 12.3526 -24.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6105 13.0996 -24.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3181 11.2444 -25.1309 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1723 10.7740 -26.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6404 9.7438 -26.6741 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4093 9.5067 -26.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2038 10.4523 -25.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0486 10.4586 -24.5356 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0862 9.5691 -24.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2958 8.6489 -25.7398 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4229 8.5751 -26.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6658 7.6190 -27.4602 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3771 13.0719 -25.0062 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5444 15.4857 -23.2927 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.8296 14.8348 -22.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3359 14.3662 -23.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4238 14.5225 -24.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2833 13.3277 -24.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2307 12.3364 -24.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0781 13.0139 -23.8896 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9504 11.4139 -25.2683 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3283 11.4675 -26.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8597 10.4112 -27.2381 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1588 9.6556 -26.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2171 10.2829 -25.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5860 9.7119 -24.1282 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9049 8.5543 -24.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8611 7.9553 -25.4818 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4746 8.4727 -26.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4225 7.8358 -27.8365 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0768 13.7293 -23.5149 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1052 15.7162 -24.8179 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9350 14.1345 -22.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0270 13.2305 -23.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1949 14.0947 -24.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7957 14.1122 -25.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2164 12.8478 -24.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9049 12.4750 -23.5469 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2828 11.7522 -25.6195 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5881 11.7569 -26.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5180 10.4991 -27.3896 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1653 9.6671 -26.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0192 10.4719 -25.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6647 9.8551 -24.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4563 8.5316 -24.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6031 7.7676 -25.1412 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9550 8.3018 -26.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1145 7.5065 -27.4881 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1068 15.1981 -24.6102 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5793 15.4055 -24.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.2020 14.3255 -26.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8020 14.2311 -24.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7629 14.3520 -23.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6327 12.9389 -23.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8329 12.2389 -23.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5241 13.0878 -24.7091 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5284 10.9652 -24.4999 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1958 9.8042 -24.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5735 8.8721 -25.1017 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5110 9.4054 -25.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4908 10.7483 -25.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5163 11.5349 -25.7862 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5772 11.0564 -26.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5988 9.7439 -26.9944 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5533 8.9119 -26.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5993 7.5541 -26.9328 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6505 13.0154 -21.9357 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5756 14.8221 -24.4307 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.3910 15.6134 -25.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1119 14.4229 -24.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6603 14.4885 -24.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4206 13.0257 -23.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6047 12.3421 -24.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1107 13.2248 -25.2835 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3523 11.0361 -24.8195 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2144 9.9979 -24.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6821 8.9130 -25.2896 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4609 9.2169 -25.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2795 10.5687 -25.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1376 11.1345 -25.8537 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1907 10.4517 -26.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3699 9.1428 -26.8117 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4912 8.5169 -26.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6600 7.1544 -26.7809 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4507 13.0126 -22.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5385 15.3452 -23.0468 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.5439 15.5830 -23.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4864 14.1835 -23.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9340 13.6820 -23.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1579 13.3233 -24.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7638 13.1000 -25.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8861 13.2803 -24.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6498 11.8052 -25.8587 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1766 11.5133 -27.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9050 10.2221 -27.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2010 9.7192 -26.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0427 10.7049 -25.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3587 10.4007 -24.2949 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8409 9.1479 -24.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9911 8.1806 -25.0384 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6801 8.4517 -26.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8404 7.4371 -27.1562 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8873 12.1575 -24.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7813 14.7157 -22.9016 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1718 14.6232 -23.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9567 13.7708 -23.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7214 14.3143 -23.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8222 13.7996 -25.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9078 12.7742 -25.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1477 12.5630 -23.7093 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4967 11.5379 -25.7115 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1166 10.9361 -26.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4429 9.8108 -27.0707 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3951 9.6652 -26.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4392 10.7664 -25.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4876 10.8807 -24.4612 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5285 9.9451 -24.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4835 8.8770 -25.2012 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4083 8.7039 -26.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3528 7.5768 -27.0331 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6313 13.2817 -25.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6170 13.7813 -23.0975 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.7354 13.7374 -22.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2865 14.4315 -23.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4833 14.9288 -24.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0296 13.6302 -25.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0171 12.6363 -24.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8297 13.3962 -24.5269 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7753 11.5749 -25.5581 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0582 11.5795 -26.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6677 10.3789 -27.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1435 9.6321 -26.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2176 10.3988 -25.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7443 9.8628 -24.0935 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2154 8.6334 -24.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1358 7.8752 -25.1276 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5935 8.3711 -26.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5206 7.5906 -27.4686 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2711 13.3838 -24.4344 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4025 15.5665 -23.6509 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.4895 15.2409 -23.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5887 14.2526 -23.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7136 14.5131 -24.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4707 13.1937 -24.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3645 12.2433 -24.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2324 12.9514 -23.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9975 11.4490 -25.2072 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2551 11.6068 -26.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6922 10.5865 -27.2129 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0832 9.7931 -26.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2607 10.3137 -25.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7223 9.6642 -24.0209 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0207 8.5271 -24.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8596 8.0372 -25.4258 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3641 8.6231 -26.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1738 8.0774 -27.8201 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3792 12.9357 -25.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4592 15.5992 -24.0795 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8277 13.7682 -21.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9153 14.0482 -23.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7339 14.7556 -24.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5002 13.8593 -25.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2945 12.5275 -24.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4232 12.8926 -23.5717 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7591 11.5601 -25.4848 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5691 11.7354 -26.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0408 10.6054 -27.3493 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8914 9.7009 -26.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3448 10.3183 -25.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3174 9.6474 -24.0698 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8463 8.3880 -24.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3981 7.7678 -25.1857 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4113 8.4111 -26.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9361 7.7349 -27.5083 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5899 13.8332 -26.1369 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3280 16.0540 -24.3009 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8591 14.1713 -23.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4984 13.6808 -22.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4403 14.3695 -23.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6532 13.7575 -25.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5495 12.5802 -24.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3918 12.3571 -23.3548 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1658 11.4676 -25.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6136 11.2622 -26.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0815 10.1359 -27.2941 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2848 9.5942 -26.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3477 10.4330 -25.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6345 10.1283 -24.1915 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8693 9.0231 -24.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8087 8.2058 -25.2303 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5077 8.4534 -26.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4251 7.5765 -27.4783 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3718 14.6629 -25.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6242 15.7486 -23.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.3406 14.2239 -21.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3271 13.7529 -23.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5220 14.7303 -24.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9487 13.7845 -25.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7106 12.4254 -24.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7864 12.6545 -23.6749 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1186 11.5093 -25.6427 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0936 11.5362 -26.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4253 10.4721 -27.4544 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0014 9.7280 -26.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4468 10.3966 -25.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1482 9.8492 -24.0746 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4515 8.7081 -23.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0360 8.0880 -25.0665 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2853 8.5565 -26.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8190 7.8549 -27.4369 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3297 13.9569 -25.4281 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3362 15.3807 -24.4686 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7869 15.2845 -24.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5316 13.8489 -24.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5931 13.2353 -23.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2707 13.5407 -24.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6815 13.2111 -25.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8742 13.8791 -25.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8762 11.8042 -25.7558 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0292 11.1858 -26.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8336 9.8610 -26.1613 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5320 9.6078 -25.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9385 10.8453 -25.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6190 10.8215 -25.4045 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8914 9.7054 -25.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4767 8.5209 -25.6257 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7993 8.4387 -25.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4521 7.2121 -26.1688 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2310 12.7808 -23.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7098 13.8251 -22.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3336 15.0954 -23.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2854 14.3229 -24.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9619 14.5689 -23.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2896 13.2060 -24.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4815 12.2882 -24.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5644 12.9857 -24.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2943 11.1255 -24.9203 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3179 10.4520 -25.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8368 9.4191 -26.1945 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4987 9.4107 -26.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1786 10.4822 -25.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8998 10.7055 -25.0123 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9100 9.9337 -25.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2198 8.8896 -26.2581 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4927 8.5984 -26.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8485 7.5041 -27.3968 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4853 13.0465 -22.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2281 15.5737 -24.5513 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2012 14.3414 -23.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2481 14.5351 -24.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8291 14.6853 -23.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2207 13.3325 -24.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4661 12.5303 -24.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2417 13.4499 -25.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2619 11.3420 -25.2524 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1644 10.8637 -26.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6450 9.7385 -26.6612 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4362 9.4801 -26.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2019 10.5057 -25.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0471 10.5122 -24.5572 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1387 9.5151 -24.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3748 8.5252 -25.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5132 8.4583 -26.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7745 7.4167 -27.2697 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5118 13.5540 -25.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8506 14.8221 -22.4616 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.5939 14.7853 -22.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3013 14.4024 -24.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5430 14.6131 -24.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2989 13.3248 -24.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1932 12.3691 -24.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0393 13.0558 -24.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9698 11.4254 -25.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4054 11.4305 -26.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9470 10.3456 -27.2719 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2034 9.6370 -26.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2210 10.3176 -25.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5323 9.7960 -24.1619 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8415 8.6462 -24.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8374 8.0035 -25.4156 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4926 8.4508 -26.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4575 7.7288 -27.7203 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0023 13.5405 -23.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2471 15.7353 -24.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7361 15.8689 -24.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0362 14.4034 -24.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2849 13.6502 -23.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9396 12.9870 -23.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4395 12.8377 -24.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9752 13.8512 -25.6023 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7259 11.5128 -25.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9276 11.0862 -25.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7862 9.8030 -26.1851 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4998 9.4401 -26.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8333 10.5195 -25.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5248 10.3937 -25.2492 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8522 9.2341 -25.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5072 8.1802 -25.9888 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8141 8.2654 -26.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5597 7.1781 -26.7895 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1411 13.9256 -22.7949 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5435 14.4708 -22.5951 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0463 13.1083 -22.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6701 13.5943 -22.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8519 14.6473 -24.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3578 13.9660 -25.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4350 12.9232 -24.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9183 12.5746 -23.4891 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3613 11.7629 -25.6111 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5559 11.7335 -26.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3990 10.4675 -27.4062 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1033 9.6713 -26.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0814 10.4877 -25.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8026 9.9126 -24.0902 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5460 8.5996 -23.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5744 7.8317 -25.0482 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8437 8.3066 -26.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8621 7.4599 -27.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7220 14.8458 -26.1381 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9960 15.7154 -23.7251 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6736 14.1307 -23.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1651 13.9694 -23.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5508 14.5571 -24.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2339 13.8036 -24.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6425 12.4810 -24.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8366 12.6449 -23.5137 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7744 11.4437 -25.1368 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6483 11.3734 -26.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4433 10.2433 -26.8229 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4059 9.5655 -26.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9966 10.3395 -25.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9525 9.9051 -24.4372 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3414 8.7519 -24.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7611 8.0232 -25.7565 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7715 8.3845 -26.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1808 7.5736 -27.6364 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3768 14.4873 -23.8895 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3718 15.9303 -24.6232 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4962 13.6564 -22.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2081 13.7615 -22.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4489 14.7656 -24.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3374 13.8863 -25.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3593 12.8583 -24.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9167 12.5529 -23.4992 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1932 11.7446 -25.5932 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0945 11.7899 -26.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9445 10.5439 -27.4285 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9471 9.6930 -26.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1051 10.4548 -25.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1408 9.8331 -24.0463 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0269 8.5068 -23.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8758 7.7771 -25.0977 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8309 8.3241 -26.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6702 7.4871 -27.4327 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8576 14.5862 -26.3401 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6738 15.3864 -23.9203 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8331 13.7158 -22.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3430 14.1925 -23.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9058 14.6292 -23.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2689 13.6526 -24.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2074 12.4795 -24.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4392 13.1173 -24.5031 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0088 11.4328 -25.3258 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5849 11.2774 -26.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1297 10.1523 -27.1196 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2566 9.5627 -26.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1842 10.3710 -25.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3705 10.0253 -24.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6483 8.9009 -24.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7114 8.1008 -25.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5137 8.4038 -26.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5727 7.5609 -27.5788 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4104 14.0909 -25.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7385 15.9421 -24.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4647 14.0472 -22.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3277 13.3274 -22.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4343 14.2427 -23.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6246 13.8319 -25.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6073 12.7182 -25.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8214 12.3685 -23.8086 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1909 11.5424 -25.8644 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4562 11.2156 -27.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8929 10.0456 -27.4624 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2430 9.5874 -26.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4369 10.5340 -25.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8617 10.2790 -24.1906 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1336 9.1484 -23.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9597 8.2448 -24.9683 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5140 8.4461 -26.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3181 7.4817 -27.2145 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1225 14.9702 -25.8455 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7174 15.5770 -23.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1755 15.4965 -24.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9682 14.6648 -24.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0708 14.4795 -23.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6518 13.0159 -23.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0497 12.7574 -25.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2927 13.3851 -25.0645 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0809 11.3831 -25.3506 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1743 10.6136 -25.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7552 9.3704 -25.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4124 9.3410 -25.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0007 10.6403 -25.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6679 10.8727 -25.6976 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7920 9.9073 -26.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1604 8.6473 -26.3145 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4926 8.3662 -26.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9557 7.0627 -26.5607 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4384 12.2762 -22.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9878 15.3282 -23.5636 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0383 15.4616 -23.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8427 14.6872 -24.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2154 13.8959 -23.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2526 13.0332 -23.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9023 13.0004 -25.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1156 13.6647 -25.2029 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0467 11.6299 -25.7346 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0922 10.9966 -26.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7779 9.6992 -26.5197 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5254 9.4918 -26.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0742 10.7064 -25.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8022 10.7813 -25.1302 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9915 9.7200 -25.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4471 8.5489 -25.5937 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6831 8.4006 -26.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1855 7.1729 -26.6037 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0218 13.6864 -24.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1126 13.0311 -22.5517 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.5516 14.4882 -22.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5859 13.6822 -22.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1671 14.5544 -24.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7016 13.8152 -25.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7701 12.3861 -24.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0433 12.5662 -23.6001 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1717 11.4413 -25.6614 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1524 11.4328 -27.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4788 10.3602 -27.4514 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0563 9.6650 -26.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4948 10.3496 -25.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1837 9.8306 -24.0756 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4741 8.6913 -23.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0502 8.0298 -25.0799 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3291 8.4975 -26.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8733 7.7857 -27.4481 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3972 14.2013 -25.5375 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6458 15.8303 -24.0165 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0735 14.7788 -24.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3729 14.0841 -23.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9401 14.5379 -23.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2459 13.4692 -24.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1131 12.2758 -23.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3763 12.7186 -23.6798 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0484 11.2565 -24.9718 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9778 11.0919 -25.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5537 10.0510 -26.6682 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3911 9.5790 -26.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0615 10.3532 -25.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9222 10.0704 -24.4355 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1006 9.0671 -24.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4198 8.3103 -25.8697 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5425 8.5405 -26.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9303 7.7840 -27.6946 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3456 13.8344 -25.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7117 15.8053 -23.8707 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2923 13.9735 -22.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2991 14.3957 -23.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8844 14.6632 -24.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3006 13.2657 -24.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5549 12.4051 -24.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6079 13.2393 -24.6044 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4064 11.3467 -25.1926 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1996 10.9166 -26.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6297 9.8780 -26.8091 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4426 9.6191 -26.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3037 10.5428 -25.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1840 10.5129 -24.4808 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2407 9.5963 -24.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3733 8.6925 -25.7302 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4680 8.6705 -26.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6240 7.7254 -27.5602 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4433 13.0406 -23.2563 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8722 15.1242 -25.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6377 15.3296 -25.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3492 14.6769 -24.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5077 14.2951 -23.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1572 12.7990 -23.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7418 12.5098 -24.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1615 13.5230 -25.4924 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4897 11.2005 -25.2101 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4356 10.2670 -25.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8479 9.1388 -25.8817 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5344 9.3270 -25.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3224 10.6278 -25.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0670 11.1385 -25.4477 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0430 10.3446 -25.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2415 9.0767 -26.2249 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4619 8.5175 -26.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7192 7.2063 -26.7312 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7719 12.6453 -23.3494 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6374 14.9845 -22.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9248 16.0225 -25.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0332 14.9180 -24.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5767 14.3084 -23.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9334 12.9450 -23.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4083 12.8447 -24.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1257 13.7966 -25.4146 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6933 11.5496 -25.2644 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9096 11.1281 -25.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7531 9.8725 -26.1402 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4602 9.5224 -26.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7800 10.5870 -25.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4573 10.5031 -25.2346 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7547 9.3848 -25.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4145 8.3480 -26.0805 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7369 8.3866 -26.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4522 7.3117 -26.8967 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7555 11.9255 -22.9133 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9575 14.2535 -23.4218 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1758 15.3260 -25.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5951 13.9419 -25.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4642 14.0709 -24.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7380 12.9486 -23.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8459 12.1789 -23.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5461 13.1198 -24.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5256 11.0004 -24.6184 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3621 9.9507 -24.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7616 9.0139 -25.4919 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5225 9.4380 -25.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4035 10.7005 -25.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2727 11.3599 -25.4445 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2533 10.8688 -26.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3658 9.6321 -26.6996 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4857 8.9093 -26.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6545 7.6108 -27.1212 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6234 12.2147 -22.9404 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5313 15.3228 -23.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2550 13.4048 -22.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0571 13.9295 -22.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4195 14.8966 -24.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1068 14.0908 -25.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2897 12.6892 -24.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4769 12.8099 -23.6251 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8946 11.6580 -25.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9080 11.6316 -26.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4452 10.4506 -27.4301 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1220 9.6871 -26.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4105 10.4605 -25.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1692 9.9090 -24.0654 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6700 8.6624 -23.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3983 7.9314 -25.0408 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6108 8.4088 -26.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3191 7.6255 -27.4368 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7782 14.2012 -25.6897 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7961 15.1612 -24.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.1145 13.7306 -21.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6609 13.5754 -23.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1374 14.6980 -23.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7480 13.9532 -25.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4738 12.6507 -24.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2544 12.3961 -23.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9039 11.5734 -25.7794 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7649 11.6473 -27.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2074 10.4769 -27.4865 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0075 9.6992 -26.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4557 10.4055 -25.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3641 9.8347 -24.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8541 8.6070 -23.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4178 7.9199 -24.9517 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4911 8.4514 -26.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0277 7.7184 -27.3116 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1051 14.6538 -26.2936 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1386 15.6165 -24.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.1074 14.8394 -22.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5644 14.6280 -23.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7784 14.6137 -24.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2588 13.1865 -24.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9732 12.4723 -24.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9893 13.4030 -23.9123 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6300 11.5563 -25.2246 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7377 11.7833 -26.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3228 10.6980 -27.2406 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9461 9.7683 -26.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1344 10.2953 -25.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8352 9.5712 -23.9997 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3506 8.3272 -24.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1632 7.8039 -25.3989 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4478 8.4897 -26.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2565 7.9533 -27.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9027 12.6947 -25.5206 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7284 15.5239 -24.2223 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1736 13.8806 -21.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0898 13.7552 -23.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1189 14.6724 -23.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7741 13.9075 -25.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6188 12.6822 -25.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6430 12.4859 -23.7201 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1345 11.5418 -25.8189 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3215 11.2952 -27.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7337 10.1297 -27.4789 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1657 9.6291 -26.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4034 10.4957 -25.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9291 10.2134 -24.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2288 9.0925 -23.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0005 8.2602 -24.9371 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4385 8.4663 -26.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1616 7.5377 -27.2288 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2099 14.6509 -26.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9816 14.9118 -23.2185 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5603 15.3189 -25.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4376 14.3488 -24.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0731 14.3507 -23.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3196 13.2010 -24.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2785 12.8650 -25.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5121 13.0501 -24.5215 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1958 11.4833 -25.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2513 10.7607 -25.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8271 9.5102 -26.2494 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5117 9.4498 -26.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1030 10.6835 -25.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8199 10.8939 -25.2634 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9431 9.8641 -25.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3379 8.6558 -25.8385 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6130 8.4034 -26.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0380 7.1319 -26.6169 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0908 13.6273 -24.4608 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2143 14.0096 -22.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9569 13.9929 -21.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7839 13.6019 -23.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6867 14.6768 -24.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0830 13.9108 -25.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6760 12.5245 -24.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3917 12.4101 -23.6007 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0616 11.5061 -25.7404 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9748 11.4994 -27.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3348 10.3903 -27.4597 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0160 9.6943 -26.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4779 10.4043 -25.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2535 9.8634 -24.0573 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6128 8.6926 -23.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1619 7.9993 -24.9569 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3486 8.4734 -26.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9095 7.8143 -27.3637 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4951 14.4121 -26.4543 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9022 15.7415 -23.6801 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5699 14.9049 -23.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5475 14.1666 -24.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1555 14.8024 -24.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3442 13.6562 -24.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0860 12.4750 -24.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3258 12.9025 -23.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0829 11.3253 -25.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0819 10.9687 -25.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6724 9.8434 -26.5926 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4630 9.4808 -26.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0770 10.4355 -25.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8924 10.3626 -24.6364 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0511 9.3533 -24.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3852 8.4171 -25.7908 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5697 8.4621 -26.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9603 7.4731 -27.3806 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0250 13.6941 -24.5436 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8372 14.8842 -22.9471 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4821 13.9482 -25.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3584 14.1330 -24.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9643 14.6903 -24.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2050 13.4050 -23.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2292 12.3457 -23.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4590 12.9860 -23.6914 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2007 11.2803 -24.6456 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2572 10.8474 -25.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8758 9.8437 -26.1545 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5611 9.6166 -25.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1619 10.5313 -25.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8455 10.4985 -24.6948 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9813 9.6282 -25.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3880 8.7407 -26.1771 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6938 8.7111 -26.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1027 7.7768 -27.5474 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3375 13.1133 -24.9696 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0234 15.5120 -23.0721 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.4483 13.5541 -26.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6035 13.5464 -26.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1476 14.8344 -24.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5633 15.2275 -25.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5703 13.5897 -23.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0120 11.9085 -22.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2875 11.2380 -25.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 - -7.9369 9.6411 -24.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1950 8.0643 -28.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3076 6.8076 -27.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3913 13.2805 -24.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8419 15.0844 -22.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.4821 13.9482 -25.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 + -13.3584 14.1330 -24.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9643 14.6903 -24.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.2050 13.4050 -23.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.2292 12.3457 -23.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 + -13.4590 12.9860 -23.6914 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.2007 11.2803 -24.6456 N 0 0 0 0 0 0 0 0 0 0 0 0 + -13.2572 10.8474 -25.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.8758 9.8437 -26.1545 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.5611 9.6166 -25.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1619 10.5313 -25.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.8455 10.4985 -24.6948 N 0 0 0 0 0 0 0 0 0 0 0 0 + -8.9813 9.6282 -25.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.3880 8.7407 -26.1771 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.6938 8.7111 -26.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1027 7.7768 -27.5474 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.3375 13.1133 -24.9696 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.0234 15.5120 -23.0721 O 0 0 0 0 0 0 0 0 0 0 0 0 + -14.4483 13.5541 -26.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.6035 13.5464 -26.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.1476 14.8344 -24.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.5633 15.2275 -25.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.5703 13.5897 -23.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.0120 11.9085 -22.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.2875 11.2380 -25.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 + -7.9369 9.6411 -24.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1950 8.0643 -28.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3076 6.8076 -27.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 + -9.3913 13.2805 -24.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8419 15.0844 -22.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -22303,39 +22303,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3992 14.9745 -23.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1548 14.5389 -24.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9313 14.5321 -23.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3607 13.1393 -24.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6176 12.3845 -24.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3288 13.2873 -25.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3825 11.1426 -25.0039 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3550 10.3131 -25.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8110 9.2276 -26.0164 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4908 9.3480 -26.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2238 10.5534 -25.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9603 10.9293 -25.2267 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9358 10.1548 -25.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2139 8.9910 -26.3041 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4684 8.5408 -26.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7644 7.3089 -27.1411 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6878 12.7081 -22.9112 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0408 15.5339 -24.0137 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1905 14.8181 -23.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1733 13.7962 -23.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7879 14.3580 -23.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3259 13.5866 -24.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5298 12.7934 -25.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2727 12.6136 -23.9698 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2793 11.5189 -25.7237 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0069 10.9448 -26.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4893 9.7367 -27.0254 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4117 9.5316 -26.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2909 10.6442 -25.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2676 10.6495 -24.5829 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3852 9.6329 -24.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5228 8.5576 -25.2782 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5373 8.4726 -26.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6568 7.3231 -27.0102 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0403 14.5500 -25.7656 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9588 14.0801 -22.4771 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6070 14.4564 -23.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4159 13.5773 -24.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1755 14.1013 -23.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0874 13.4405 -24.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7503 13.1204 -25.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0045 13.7160 -25.3423 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8802 11.7219 -25.7042 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0265 11.1131 -26.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7849 9.8053 -26.2101 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4892 9.5496 -25.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9218 10.7640 -25.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6122 10.7915 -25.3616 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9134 9.6442 -25.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4710 8.4557 -25.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7635 8.3697 -26.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4346 7.1670 -26.3425 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6650 12.3290 -23.4412 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1241 15.4850 -23.3886 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9300 15.3728 -25.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6829 14.7546 -24.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7952 14.3629 -23.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9827 12.8681 -23.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3885 12.6963 -24.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4588 13.5501 -25.4895 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2937 11.3472 -25.3082 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3334 10.5384 -25.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8839 9.3336 -25.9864 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5449 9.3611 -25.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1984 10.6398 -25.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9125 10.9503 -25.4309 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9781 10.0331 -25.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3017 8.8047 -26.1481 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5942 8.4223 -26.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9867 7.1366 -26.7151 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9499 12.4205 -22.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9117 15.0156 -22.8229 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9620 13.9392 -21.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7344 13.5323 -23.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7851 14.6378 -24.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9260 13.8478 -25.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7782 12.4572 -24.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0351 12.5385 -23.6864 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1487 11.5419 -25.7673 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0263 11.5289 -27.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3389 10.4464 -27.4909 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0130 9.7484 -26.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5183 10.4307 -25.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3232 9.9262 -24.0618 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6534 8.7833 -23.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1689 8.1338 -24.9173 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3180 8.5614 -26.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8145 7.8901 -27.3083 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9900 14.3161 -26.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5930 15.3480 -23.9996 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3858 14.4637 -25.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4820 14.2046 -23.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1365 14.7826 -24.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3659 13.5751 -24.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1200 12.4396 -24.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3548 12.8614 -23.7056 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1879 11.2717 -24.9639 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2377 10.7719 -25.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8533 9.6781 -26.3181 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5506 9.4550 -26.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1313 10.4563 -25.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8489 10.4959 -24.8365 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9404 9.5878 -25.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3455 8.6130 -26.0556 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6150 8.5335 -26.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0349 7.4927 -27.3686 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0576 13.6384 -24.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4790 15.2868 -23.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3049 14.9478 -23.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2226 14.5075 -24.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8392 14.6272 -23.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1978 13.3324 -24.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4106 12.4236 -24.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3878 13.2375 -24.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2141 11.2729 -25.1706 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1059 10.8264 -26.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6372 9.7459 -26.6767 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4189 9.4909 -26.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1515 10.4490 -25.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9783 10.4116 -24.5332 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0561 9.4509 -24.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3436 8.5262 -25.6975 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4817 8.5035 -26.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7962 7.5342 -27.3836 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7681 13.6021 -25.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8127 14.7182 -22.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3026 14.1913 -22.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9855 13.9502 -23.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8494 14.5782 -24.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5482 13.9198 -25.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6447 12.5923 -24.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7665 12.5948 -23.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6310 11.5129 -25.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2318 11.5133 -26.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9971 10.3279 -27.1507 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2483 9.5693 -26.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0223 10.3176 -25.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2749 9.7601 -24.2326 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7748 8.5220 -24.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9995 7.8010 -25.5007 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7351 8.2978 -26.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9441 7.5024 -27.6678 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4862 14.7021 -24.5487 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6848 15.9548 -24.5013 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4762 14.7915 -24.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2229 14.1845 -23.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0171 14.4188 -24.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0946 13.3468 -23.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0999 12.2488 -23.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3132 12.8255 -23.3435 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1129 11.3992 -24.7601 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0339 11.3613 -25.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6023 10.4219 -26.6001 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4483 9.8801 -26.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1282 10.5055 -25.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9980 10.1447 -24.3613 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1588 9.2005 -24.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4686 8.5877 -25.9752 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5854 8.9126 -26.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8690 8.2409 -27.8627 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1591 12.9344 -24.7908 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3387 14.2034 -25.7358 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7646 13.5519 -22.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4461 13.9942 -23.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4540 14.8794 -24.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5351 13.8551 -24.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1941 12.5522 -24.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5339 12.9077 -24.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9724 11.5134 -25.4454 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3958 11.3792 -26.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9470 10.2370 -27.2519 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2029 9.6160 -26.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2184 10.4074 -25.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5440 10.0049 -24.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8633 8.8691 -24.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8436 8.0881 -25.1896 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4925 8.4168 -26.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4914 7.6195 -27.4804 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5043 14.0338 -26.2449 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7235 15.6822 -23.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3634 15.1514 -23.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4612 13.9381 -23.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0374 14.3920 -23.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2842 13.2316 -24.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2251 12.8979 -25.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4908 13.2438 -24.9752 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1647 11.5134 -25.7286 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1659 10.8286 -26.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7335 9.5757 -26.4916 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4742 9.4451 -26.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1281 10.6902 -25.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8595 10.8109 -25.1168 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0095 9.7713 -25.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3607 8.5625 -25.5923 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5992 8.3697 -26.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9763 7.0907 -26.5905 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0401 13.6401 -24.6645 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7532 14.4552 -22.1942 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1116 14.2349 -25.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3621 14.2477 -24.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0332 14.5255 -23.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3425 13.1950 -24.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5066 12.2599 -23.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6642 12.9713 -23.9674 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4025 11.1143 -24.6694 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4187 10.3639 -25.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9249 9.3695 -25.9212 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5797 9.4915 -25.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2914 10.5865 -25.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9889 10.9336 -25.0532 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0208 10.2322 -25.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3327 9.1562 -26.4507 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6077 8.7578 -26.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9020 7.6367 -27.4261 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2735 12.9397 -23.2122 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3639 15.5918 -24.2584 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2330 14.8410 -24.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2054 13.7386 -24.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8012 14.3521 -24.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0473 13.3199 -24.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0674 12.2612 -23.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2570 12.9889 -23.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1152 11.1851 -24.6402 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2298 10.6945 -25.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9020 9.6910 -26.0287 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5690 9.5088 -26.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0938 10.4625 -25.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7481 10.4870 -24.9333 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9227 9.6219 -25.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4012 8.6927 -26.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7244 8.6233 -26.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2271 7.6472 -27.5704 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6552 13.9272 -22.8643 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9272 15.5653 -24.1676 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8246 13.5800 -21.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1892 13.8074 -23.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2373 13.8442 -24.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2869 13.8287 -25.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1319 13.0043 -24.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4464 12.7101 -23.5413 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9777 11.8293 -25.6698 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6575 11.8099 -26.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5981 10.5301 -27.4233 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8899 9.7402 -26.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1293 10.5592 -25.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4382 9.9282 -24.1222 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5235 8.5986 -23.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2933 7.8122 -25.0616 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9768 8.3522 -26.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7296 7.5521 -27.3878 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8145 15.1233 -25.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9822 14.9982 -24.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3815 15.1450 -23.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1648 14.5045 -24.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3049 13.9284 -23.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4624 12.9298 -23.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2032 12.8496 -25.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4724 13.3521 -25.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2281 11.4544 -25.7082 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2215 10.7282 -26.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7842 9.4830 -26.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4948 9.4314 -26.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1481 10.6728 -25.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8621 10.8495 -25.2242 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9552 9.8762 -25.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2976 8.6441 -25.7037 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5569 8.3986 -26.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8784 7.1050 -26.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1763 13.3611 -24.1992 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5346 14.8941 -22.5725 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1316 14.5960 -22.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4979 13.8650 -23.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8931 14.5593 -24.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5521 13.8548 -24.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8322 12.5321 -24.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0324 12.5703 -23.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7610 11.4639 -25.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3729 11.4034 -26.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0773 10.2695 -27.1346 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2506 9.5646 -26.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0557 10.3051 -25.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2590 9.7931 -24.2635 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6662 8.5922 -24.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8624 7.8844 -25.5397 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6615 8.3377 -26.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8215 7.5364 -27.6856 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6362 14.5820 -24.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7633 15.8982 -24.5531 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4487 13.8834 -22.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4396 13.4121 -23.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7702 14.5455 -24.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4017 14.0067 -25.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3838 12.6877 -24.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3967 12.7261 -23.4027 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5501 11.6059 -25.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2913 11.6373 -26.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1656 10.4358 -26.9925 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3556 9.6361 -26.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9597 10.3973 -25.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1284 9.8330 -24.2952 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6632 8.5750 -24.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0560 7.8565 -25.4667 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8826 8.3454 -26.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2753 7.5545 -27.5107 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3807 14.8539 -24.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5778 15.6157 -23.8421 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6517 13.7844 -22.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3634 13.7263 -22.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3998 14.7824 -23.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2616 13.9365 -25.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3879 12.8183 -24.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1297 12.5119 -23.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2500 11.7167 -25.5665 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2675 11.7713 -26.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1083 10.5282 -27.4305 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9894 9.6849 -26.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0771 10.4207 -25.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9821 9.7664 -24.0685 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8070 8.4409 -23.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7198 7.7099 -25.0998 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8085 8.3127 -26.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7186 7.5578 -27.5166 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6427 14.6159 -26.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5617 15.5227 -23.9914 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.5830 14.2894 -21.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3129 13.7284 -22.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3305 14.7846 -24.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2527 13.9739 -25.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3441 12.5494 -24.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6027 12.6919 -23.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7660 11.5885 -25.6695 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4865 11.7238 -26.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9485 10.5618 -27.4152 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8749 9.6762 -26.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3979 10.3493 -25.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4612 9.7143 -24.1199 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0321 8.4485 -23.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5274 7.8177 -25.0461 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4336 8.3839 -26.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9070 7.7348 -27.3984 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2977 14.1735 -26.1813 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5683 15.4179 -23.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8835 13.9825 -21.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1502 13.8649 -23.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8026 14.6806 -24.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8129 13.7584 -25.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7217 12.3997 -24.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9989 12.5802 -23.5142 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0899 11.4759 -25.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0290 11.6047 -26.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3644 10.5443 -27.3946 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0046 9.7465 -26.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4715 10.3466 -25.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2285 9.7265 -24.0281 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5526 8.5532 -23.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1155 8.0023 -25.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3143 8.5519 -26.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8510 7.9670 -27.5111 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6020 13.9553 -26.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1337 15.8674 -24.4149 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7933 15.6096 -24.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3189 14.3401 -23.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8300 14.4527 -23.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3321 13.1316 -24.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6005 12.2988 -24.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5382 13.2113 -24.6755 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4380 11.1574 -25.0677 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3363 10.5352 -25.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7262 9.5138 -26.4717 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4438 9.4709 -26.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2535 10.5080 -25.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0214 10.6763 -24.7035 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9892 9.8740 -25.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2034 8.8696 -25.8952 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3918 8.6224 -26.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6154 7.5609 -27.3796 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8237 13.2673 -25.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4711 14.5083 -22.3446 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.3126 15.5423 -25.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1722 14.2286 -25.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0043 14.3423 -23.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3685 12.9869 -23.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6127 12.7212 -24.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9966 13.6206 -25.4546 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8103 11.3688 -24.9818 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9929 10.7289 -24.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7925 9.4866 -25.5092 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4911 9.3611 -25.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8760 10.5456 -25.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5632 10.6567 -25.7141 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8332 9.6413 -26.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4710 8.4988 -26.5667 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7786 8.3097 -26.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3669 7.0717 -26.7325 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5560 13.1468 -22.1425 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1286 15.3501 -23.1778 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4950 15.4489 -25.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6642 14.7137 -24.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5053 14.2874 -23.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5697 12.7721 -23.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3827 12.7491 -24.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2282 13.5279 -24.9868 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2582 11.4500 -25.4369 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2886 10.7606 -26.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8290 9.5831 -26.3983 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5304 9.5016 -26.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1651 10.6876 -25.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8898 10.8258 -25.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0091 9.8201 -25.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3663 8.6729 -25.8871 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6239 8.4691 -26.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0701 7.2837 -26.9376 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4452 12.2463 -22.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8062 14.8082 -23.3019 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4393 14.3758 -23.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1267 13.8405 -23.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0140 14.6919 -23.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7941 13.9061 -24.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8543 12.5108 -24.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9630 12.5640 -23.5438 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8519 11.4737 -25.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5392 11.3522 -26.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2256 10.1916 -27.0705 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3060 9.5546 -26.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0805 10.3537 -25.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1879 9.9599 -24.2883 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5426 8.7902 -24.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7469 7.9844 -25.4978 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6291 8.3571 -26.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8706 7.5315 -27.5784 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5849 14.1824 -25.5375 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3705 15.9876 -23.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9755 14.6448 -22.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5997 13.4106 -22.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4012 13.7436 -24.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2962 13.8344 -25.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2588 12.8924 -24.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6963 12.4927 -23.4624 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1560 11.7699 -25.6353 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1246 11.8141 -26.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0233 10.5550 -27.4739 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9930 9.7395 -26.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0754 10.4897 -25.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0629 9.8669 -24.0692 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9722 8.5295 -23.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8923 7.8062 -25.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9000 8.3671 -26.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8162 7.6130 -27.5047 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7894 15.1168 -25.3686 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0942 14.9219 -24.1068 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.0506 13.4695 -21.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2362 13.7717 -23.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2014 14.1034 -24.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3824 13.8007 -25.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2400 12.9501 -24.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5607 12.6472 -23.5104 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0450 11.8021 -25.6418 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7367 11.8222 -26.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6299 10.5540 -27.3983 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8764 9.7236 -26.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1394 10.5177 -25.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4169 9.9006 -24.0955 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4376 8.5417 -24.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1866 7.7558 -25.0835 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9033 8.3491 -26.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6346 7.5378 -27.4058 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8750 14.9266 -25.9877 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5742 15.4341 -24.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.5299 15.8700 -25.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8309 14.5880 -24.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9694 14.3538 -23.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0750 12.8332 -23.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8017 12.4385 -24.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4752 13.4588 -25.5201 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5211 11.1336 -25.1043 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4061 10.1344 -25.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8219 9.0354 -25.7559 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5198 9.3409 -25.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3310 10.6377 -25.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1131 11.1616 -25.5291 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0703 10.4318 -25.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2114 9.1602 -26.3649 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4359 8.5899 -26.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6221 7.2475 -26.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8641 12.2307 -23.1899 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5282 14.9620 -22.3876 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9115 13.8434 -21.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1531 13.9697 -23.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9919 14.6680 -24.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6703 13.8423 -25.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5599 12.4663 -24.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7471 12.7703 -23.5945 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9830 11.5172 -25.5766 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8721 11.6317 -26.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2656 10.5161 -27.3936 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9860 9.6838 -26.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4434 10.3282 -25.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2659 9.6647 -24.0711 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6882 8.4689 -24.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2429 7.8441 -25.1296 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3838 8.4386 -26.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9126 7.7738 -27.4892 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4123 14.1828 -25.8634 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6374 15.9981 -24.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2082 15.1809 -23.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2724 14.0192 -23.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8314 14.4015 -23.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2493 13.3115 -24.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3530 12.2552 -24.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4814 13.0249 -24.3189 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2319 11.2308 -25.1933 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0199 10.9345 -26.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4871 9.8771 -26.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3545 9.5208 -26.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2026 10.3607 -25.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1202 10.1990 -24.4141 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2061 9.2496 -24.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3599 8.4294 -25.6669 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4190 8.5349 -26.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5764 7.6611 -27.6106 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1607 13.7530 -25.6304 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5930 15.6637 -23.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5073 14.2193 -25.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0544 14.5333 -24.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7136 14.4351 -23.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9206 13.1524 -23.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5586 12.8719 -24.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1795 13.7721 -25.6259 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8132 11.4977 -25.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9934 10.8647 -25.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8425 9.5859 -25.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5501 9.3782 -25.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8935 10.5601 -25.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5725 10.6242 -25.6753 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8776 9.5395 -26.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5158 8.3853 -26.3339 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8501 8.2408 -26.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5108 7.0137 -26.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8066 13.3991 -22.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9669 15.5350 -23.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5426 14.0083 -22.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3199 13.7646 -22.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0817 14.8080 -24.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7028 13.9320 -25.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5805 12.7105 -24.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3850 12.5395 -23.5987 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1514 11.5658 -25.6961 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4663 11.3579 -27.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9130 10.1908 -27.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2450 9.6491 -26.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4045 10.5151 -25.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8213 10.1945 -24.1667 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0943 9.0461 -24.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9493 8.2127 -25.0828 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5134 8.4810 -26.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3602 7.5999 -27.3919 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3833 13.5093 -25.0775 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2124 15.5230 -24.3702 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8475 14.0284 -21.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2338 13.8380 -23.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4694 14.7585 -24.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7528 13.7684 -25.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7819 12.6452 -25.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9846 12.5363 -23.8492 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3197 11.4425 -25.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8017 10.9849 -27.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1911 9.8480 -27.3496 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3282 9.5856 -26.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4049 10.5860 -25.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6187 10.5173 -24.3365 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7400 9.5096 -24.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6788 8.5469 -25.0665 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4380 8.5500 -26.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3760 7.5376 -27.1632 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5960 13.3582 -24.6149 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5639 15.5666 -23.6855 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.4428 14.2149 -22.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6165 14.3101 -23.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0851 14.3847 -23.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2839 13.1626 -24.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8891 13.0624 -25.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1008 13.2137 -24.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6734 11.8260 -25.9895 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9378 11.5513 -27.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6004 10.2752 -27.5566 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1152 9.7206 -26.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1604 10.7035 -25.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7162 10.3482 -24.2459 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2392 9.1292 -23.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2097 8.2085 -24.9282 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6330 8.4580 -26.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5929 7.4745 -27.1933 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5058 12.0142 -23.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3248 15.5504 -24.5248 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5856 14.2786 -22.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5262 14.1909 -23.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2163 14.8220 -24.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4034 13.6869 -24.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2145 12.4735 -24.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5376 12.9061 -24.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0265 11.4348 -25.3315 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6201 11.2650 -26.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1644 10.1546 -27.1356 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2559 9.6121 -26.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1676 10.3965 -25.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3097 10.0424 -24.1982 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5357 8.9536 -24.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6327 8.1862 -25.3598 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4617 8.4724 -26.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5036 7.6126 -27.5097 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4395 13.7366 -26.1768 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5261 15.3829 -23.1613 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6907 14.3671 -24.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2300 14.3644 -24.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4204 13.5958 -23.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1127 13.5387 -24.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6775 13.1690 -25.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8884 13.8354 -25.6635 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9179 11.7681 -25.7061 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0947 11.1397 -25.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8815 9.8349 -26.0165 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5777 9.5680 -25.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9625 10.7915 -25.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6437 10.7997 -25.5113 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8756 9.7124 -25.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4637 8.5204 -25.7101 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7942 8.4244 -25.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4438 7.1859 -26.0914 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2043 12.6783 -23.6878 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2478 14.3143 -22.2465 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1677 14.7947 -25.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4134 14.2992 -24.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9858 14.7061 -24.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2968 13.4245 -24.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2620 12.3811 -24.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5063 12.9414 -24.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2872 11.1923 -24.8856 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3388 10.5439 -25.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8979 9.4744 -26.0935 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5697 9.4147 -26.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1762 10.4962 -25.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8682 10.7103 -25.0077 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9020 9.8986 -25.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2838 8.8429 -26.2163 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5761 8.5779 -26.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9784 7.4694 -27.2831 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0927 13.3396 -23.9002 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5239 15.1006 -22.9093 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0362 14.5028 -22.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6611 13.5711 -22.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2352 14.2371 -24.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1920 13.9982 -25.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2943 12.9799 -24.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8103 12.5770 -23.4433 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1053 11.8471 -25.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8633 11.9094 -26.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7410 10.6579 -27.3717 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9018 9.7806 -26.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1296 10.5233 -25.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3296 9.8854 -24.0812 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3118 8.5433 -24.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0883 7.8427 -25.1372 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8779 8.3887 -26.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6431 7.6306 -27.5272 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5164 15.1553 -25.6118 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3898 13.5775 -24.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.8415 15.2737 -23.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4593 13.9139 -23.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9355 13.8976 -23.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2310 12.8429 -24.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9818 12.9402 -25.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9539 13.2735 -24.3219 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7301 11.7330 -25.9361 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9758 11.5180 -27.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5963 10.2547 -27.5699 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1076 9.6767 -26.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1894 10.6007 -25.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7603 10.2617 -24.1928 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2542 9.0375 -23.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1752 8.1322 -24.9662 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5918 8.4241 -26.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4940 7.4562 -27.2436 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3177 13.2654 -25.0542 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5317 15.1060 -23.5714 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.8377 15.8292 -24.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5525 14.5504 -23.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7887 14.1566 -23.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8798 12.6679 -23.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3822 12.7968 -25.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2097 13.5028 -24.8185 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2103 11.5168 -25.6108 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1162 10.9190 -26.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6592 9.7200 -26.7771 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4445 9.5768 -26.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1606 10.6988 -25.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9722 10.7586 -24.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1257 9.7068 -24.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4139 8.6059 -25.6409 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5787 8.4975 -26.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9252 7.3541 -27.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9531 11.9825 -22.8111 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9166 14.7675 -23.8021 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.8609 14.5845 -22.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6899 13.5176 -22.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4640 13.8945 -24.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3702 13.7861 -25.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3957 12.8404 -24.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8954 12.4650 -23.4282 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2285 11.7133 -25.5521 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1879 11.8564 -26.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0240 10.6131 -27.4001 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9656 9.7242 -26.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0958 10.4207 -25.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0724 9.7690 -24.0128 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9209 8.4355 -23.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7923 7.7428 -25.1575 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8112 8.3567 -26.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6810 7.6746 -27.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7872 15.0180 -25.5584 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8841 15.1957 -24.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.8254 13.5349 -21.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9641 13.8081 -22.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6199 14.7158 -23.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2656 13.9839 -25.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4042 12.5485 -24.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6866 12.6131 -23.6053 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8671 11.5915 -25.7049 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6956 11.6445 -27.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1519 10.4986 -27.4508 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9643 9.6921 -26.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4109 10.3741 -25.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3359 9.7836 -24.0988 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8398 8.5481 -23.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4046 7.8929 -25.0099 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4503 8.4215 -26.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9752 7.6774 -27.3431 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1450 14.2754 -26.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1205 16.0041 -23.9845 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5926 14.8273 -23.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4175 14.0329 -24.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0925 14.6227 -23.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1879 13.3929 -23.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1568 12.2532 -23.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4158 12.7917 -23.6825 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0564 11.2767 -24.8443 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9572 11.1142 -25.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5384 10.1262 -26.6303 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3712 9.6291 -26.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0853 10.3808 -25.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9463 10.0799 -24.4032 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1315 9.0941 -24.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4130 8.3700 -25.9574 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5276 8.6303 -26.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8618 7.8923 -27.7983 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6936 13.4585 -25.2458 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6816 15.6352 -24.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.5184 15.5343 -25.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6752 14.7093 -24.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3951 14.3847 -23.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5239 12.8642 -23.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4808 12.7115 -24.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3805 13.5122 -25.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3466 11.3592 -25.4071 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3524 10.5273 -25.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8631 9.3160 -26.0653 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5333 9.3626 -25.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2141 10.6590 -25.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9282 10.9606 -25.4153 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9133 10.0993 -25.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2474 8.8554 -26.0356 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5136 8.4625 -26.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8051 7.1252 -26.6464 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7101 12.4057 -22.9483 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7261 14.7589 -22.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.4281 14.5316 -21.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1250 13.8990 -23.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3650 14.8150 -24.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6130 13.8384 -25.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2898 12.5227 -24.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4195 12.8405 -23.6266 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7432 11.5549 -25.5811 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5249 11.7049 -26.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9944 10.5615 -27.3803 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8708 9.6724 -26.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3508 10.3138 -25.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3433 9.6359 -24.0914 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8764 8.3673 -24.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4158 7.7395 -25.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4039 8.3748 -26.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9206 7.7379 -27.4913 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9278 13.9177 -25.7766 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5148 15.5803 -24.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4639 14.4673 -23.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2132 14.4745 -24.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9606 14.3034 -23.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2839 13.1508 -24.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5596 12.4160 -24.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2729 13.4352 -25.0673 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3587 11.2704 -25.2561 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2091 10.7461 -26.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6483 9.6428 -26.7074 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4341 9.4557 -26.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2649 10.4935 -25.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0825 10.5047 -24.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1224 9.5837 -24.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3262 8.5992 -25.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4646 8.4988 -26.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6338 7.4381 -27.3438 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6638 13.7085 -25.1984 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1646 15.4192 -23.2816 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4837 12.9114 -22.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4388 13.5703 -23.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1173 14.0091 -24.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9535 14.0026 -25.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0259 13.0040 -24.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4026 12.7524 -23.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0342 11.8179 -25.5777 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0092 11.8630 -26.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0257 10.5973 -27.4038 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0611 9.7357 -26.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0657 10.5247 -25.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0990 9.9315 -24.0403 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1279 8.5697 -23.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1227 7.8230 -25.0434 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0897 8.3620 -26.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0842 7.5796 -27.4643 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3811 15.2643 -25.4641 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6049 15.2896 -24.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5605 15.0308 -24.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6000 13.9194 -24.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4099 14.2415 -23.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5816 12.9947 -23.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8242 12.8921 -25.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9372 13.6426 -25.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9830 11.5196 -25.4482 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1063 10.8671 -25.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8233 9.5881 -26.0716 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5006 9.4271 -25.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9694 10.6489 -25.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6461 10.7418 -25.4382 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8458 9.6781 -25.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3719 8.5074 -26.0378 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7021 8.3210 -26.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2325 7.0700 -26.6223 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2687 13.1257 -23.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7641 15.3921 -23.6477 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4496 13.9267 -22.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1142 13.9371 -22.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2063 14.9144 -24.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1680 13.9750 -25.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2384 12.9081 -24.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8481 12.6935 -23.5157 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2046 11.7643 -25.5908 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4161 11.7655 -26.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3056 10.5007 -27.4034 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0250 9.6787 -26.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9634 10.4826 -25.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6885 9.8776 -24.0945 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4816 8.5525 -24.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5448 7.7883 -25.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8142 8.3177 -26.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8693 7.4688 -27.4763 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4235 13.3841 -25.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3657 15.6724 -24.1014 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.2413 14.0113 -21.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6725 13.7107 -23.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1756 14.7771 -23.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8302 13.9589 -25.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4496 12.5993 -24.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1441 12.5154 -23.4952 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8634 11.5491 -25.6263 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6518 11.6520 -26.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0962 10.5243 -27.4129 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9420 9.6836 -26.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4273 10.3409 -25.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3852 9.7041 -24.0923 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8844 8.4590 -23.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4077 7.8036 -25.0627 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4222 8.3943 -26.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9383 7.7656 -27.4484 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3797 14.4676 -26.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2154 15.6913 -24.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4724 14.0291 -22.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3779 13.5673 -23.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4298 14.6962 -24.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1540 13.9787 -24.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4311 12.5602 -24.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5898 12.5809 -23.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4945 11.6336 -25.1086 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0549 11.8305 -26.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8715 10.6971 -27.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2178 9.7705 -26.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9745 10.3722 -25.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3163 9.6657 -24.1238 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9051 8.4189 -24.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1423 7.8247 -25.5405 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7911 8.4716 -26.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0505 7.8779 -27.7746 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9251 14.1666 -25.7528 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9284 15.4666 -25.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1576 15.4096 -24.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3664 14.1573 -23.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9643 14.4104 -23.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3306 13.0619 -23.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0506 12.8504 -25.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3067 13.3780 -24.9598 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0860 11.4699 -25.4736 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1809 10.7444 -25.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7921 9.4837 -26.0586 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4527 9.4015 -26.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0083 10.6608 -25.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7010 10.9239 -25.5108 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8366 9.9224 -25.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2436 8.6860 -26.1098 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5436 8.3933 -26.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9572 7.0901 -26.6348 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7712 12.1371 -22.8186 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3778 15.4275 -24.1409 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9722 14.1483 -22.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5772 14.3937 -23.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7533 14.7838 -24.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3136 13.4164 -24.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1783 12.5055 -24.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0738 13.2819 -24.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8775 11.5595 -25.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1426 11.6076 -26.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6689 10.4854 -27.3846 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0993 9.7244 -26.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2258 10.3880 -25.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7285 9.8354 -24.1178 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1040 8.6414 -24.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9921 8.0137 -25.2943 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4583 8.5027 -26.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2942 7.7695 -27.6329 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3971 13.1437 -23.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2703 15.4071 -25.4513 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.0862 13.5194 -21.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7490 13.1699 -23.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7368 14.4664 -24.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6853 14.1808 -25.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9334 13.0094 -24.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4799 12.6327 -23.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8879 11.9007 -25.5446 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7006 11.9934 -26.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7329 10.7310 -27.3347 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9347 9.8705 -26.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0371 10.6083 -25.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2438 9.9997 -23.9828 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3532 8.6640 -23.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2513 7.9671 -25.0575 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0461 8.5029 -26.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9384 7.7600 -27.4739 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3396 13.9257 -26.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9911 14.7061 -24.6349 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.1055 14.0245 -21.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6315 13.6633 -23.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3625 14.7210 -24.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5099 13.9197 -25.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5825 12.5178 -24.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9587 12.5530 -23.5844 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9691 11.5459 -25.7217 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7853 11.6249 -27.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1755 10.4949 -27.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9714 9.7009 -26.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4785 10.3755 -25.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4076 9.7991 -24.0526 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8415 8.5889 -23.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3437 7.9201 -25.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4003 8.4582 -26.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8854 7.7947 -27.3797 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4215 14.1546 -26.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2964 15.7510 -24.0111 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6325 15.1313 -24.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1670 14.7863 -25.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5764 14.5312 -23.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5869 12.9987 -23.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4370 12.6593 -24.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0035 13.5771 -25.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3178 11.2945 -25.1965 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3314 10.4081 -25.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8677 9.2209 -25.7246 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5393 9.3100 -25.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2134 10.6136 -25.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9303 11.0108 -25.6087 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9880 10.1321 -25.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3062 8.8621 -26.3207 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5705 8.4035 -26.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9449 7.0810 -26.6133 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2590 12.5808 -22.4476 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4554 15.0067 -22.6792 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5467 14.5618 -23.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3126 14.3320 -24.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1850 13.9646 -23.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2565 13.1800 -24.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1122 12.9094 -25.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4229 13.2048 -24.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0787 11.5265 -25.7615 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0900 10.9121 -26.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7168 9.6324 -26.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4941 9.4142 -26.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0838 10.6320 -25.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8887 10.7053 -25.0414 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0628 9.6549 -24.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4531 8.4911 -25.5285 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6490 8.3260 -26.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0415 7.0859 -26.6657 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1539 13.9590 -24.4083 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5786 15.1159 -22.7419 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8308 15.4754 -24.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3885 14.1724 -23.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9351 14.2673 -23.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3257 13.1180 -24.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5391 12.1800 -24.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5355 13.0856 -24.4763 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3539 11.1263 -25.0385 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2471 10.6796 -25.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6669 9.6689 -26.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4042 9.4784 -26.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2174 10.4193 -25.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0116 10.4237 -24.5801 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0249 9.5776 -24.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2216 8.6873 -25.8961 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4069 8.6017 -26.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6052 7.6561 -27.5852 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0409 13.5100 -25.3544 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3718 15.4803 -23.5831 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5725 13.8675 -24.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2601 13.8873 -23.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2814 14.8577 -24.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4308 13.9753 -24.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6017 12.6287 -24.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7232 12.6364 -23.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7011 11.5606 -25.1982 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4763 11.4731 -26.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2817 10.3056 -26.9183 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3505 9.6550 -26.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9772 10.4253 -25.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0401 9.9683 -24.2943 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4420 8.7754 -24.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8178 8.0351 -25.5067 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7417 8.4312 -26.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1067 7.6195 -27.4878 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7739 14.0360 -26.1989 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5482 15.4699 -22.9873 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3851 13.5220 -22.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2805 13.1863 -23.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7592 14.4111 -24.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2687 14.1849 -24.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1317 12.7773 -24.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1611 12.7079 -23.2495 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3096 11.7835 -25.2378 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8230 11.8834 -26.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7935 10.6948 -27.0921 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2448 9.8049 -26.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9458 10.4978 -25.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3812 9.7873 -24.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1243 8.4800 -24.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4215 7.8246 -25.3519 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9863 8.4606 -26.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2764 7.7125 -27.5587 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7453 14.3696 -25.9675 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0888 15.5195 -23.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.7204 15.7171 -24.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8135 14.7264 -24.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3580 14.2175 -23.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4893 12.7149 -23.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4497 12.7260 -25.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3683 13.5849 -25.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2658 11.4274 -25.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1711 10.8154 -26.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6875 9.6035 -26.7956 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4745 9.4823 -26.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2209 10.6259 -25.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0545 10.7957 -24.8169 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1458 9.7970 -24.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3635 8.6692 -25.5698 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5048 8.4767 -26.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7739 7.3113 -27.0048 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6321 12.1810 -23.0097 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6334 14.7356 -23.1018 O 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9222 15.7078 -25.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1908 16.7422 -24.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6026 15.1820 -25.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6854 14.4202 -22.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5577 12.2190 -23.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3458 13.2507 -25.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1426 11.2431 -26.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 - -8.1997 9.8618 -24.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3659 6.5578 -26.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3786 7.2008 -27.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3912 11.2929 -22.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7361 15.5460 -23.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.7204 15.7171 -24.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8135 14.7264 -24.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.3580 14.2175 -23.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.4893 12.7149 -23.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.4497 12.7260 -25.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3683 13.5849 -25.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.2658 11.4274 -25.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 + -13.1711 10.8154 -26.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.6875 9.6035 -26.7956 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.4745 9.4823 -26.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.2209 10.6259 -25.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.0545 10.7957 -24.8169 N 0 0 0 0 0 0 0 0 0 0 0 0 + -9.1458 9.7970 -24.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.3635 8.6692 -25.5698 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.5048 8.4767 -26.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.7739 7.3113 -27.0048 N 0 0 0 0 0 0 0 0 0 0 0 0 + -13.6321 12.1810 -23.0097 O 0 0 0 0 0 0 0 0 0 0 0 0 + -13.6334 14.7356 -23.1018 O 0 0 0 0 0 0 0 0 0 0 0 0 + -9.9222 15.7078 -25.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1908 16.7422 -24.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.6026 15.1820 -25.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.6854 14.4202 -22.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.5577 12.2190 -23.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.3458 13.2507 -25.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.1426 11.2431 -26.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 + -8.1997 9.8618 -24.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3659 6.5578 -26.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.3786 7.2008 -27.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.3912 11.2929 -22.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.7361 15.5460 -23.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 @@ -26383,39 +26383,39 @@ C1 M END $$$$ C1 - chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4356 13.8693 -21.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8224 13.5481 -23.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5840 14.7122 -24.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7759 14.1328 -25.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3170 12.8307 -24.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2069 12.4418 -23.6263 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1465 11.7914 -25.5932 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0340 11.8955 -26.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8927 10.6384 -27.4031 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9155 9.7638 -26.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0771 10.4794 -25.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1347 9.8442 -24.0384 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0397 8.5069 -23.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8822 7.8051 -25.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8174 8.3811 -26.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6514 7.6459 -27.4829 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6222 14.0305 -26.2441 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7718 15.2910 -24.4479 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7484 13.7391 -21.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9204 14.0059 -23.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7527 14.6461 -24.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6632 13.6127 -25.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3116 13.0162 -24.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4457 12.8033 -23.5349 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0408 11.8128 -25.6392 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5808 11.8156 -26.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4216 10.5393 -27.3334 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7799 9.7203 -26.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1652 10.5289 -25.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5766 9.9593 -24.1585 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6083 8.6172 -24.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2332 7.8098 -25.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8113 8.3369 -26.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4127 7.5231 -27.3429 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5991 14.2317 -26.4757 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0555 14.8898 -23.7506 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4022 15.7283 -25.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2256 14.5329 -24.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8558 14.6034 -23.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4243 13.1387 -23.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1067 12.7744 -25.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3459 13.3363 -24.9835 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1415 11.3572 -25.3533 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1774 10.5059 -25.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7796 9.2438 -25.5515 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4479 9.2956 -25.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0704 10.6158 -25.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7623 10.9264 -25.9354 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8623 10.0025 -26.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2382 8.7114 -26.4006 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5153 8.3379 -26.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8815 6.9747 -26.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0372 12.4656 -22.7893 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8529 15.0573 -22.4164 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7583 14.1859 -22.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4033 13.7469 -22.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0186 14.7546 -23.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7004 13.8892 -25.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5492 12.6706 -24.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4743 12.5115 -23.5291 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1167 11.5159 -25.6368 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4698 11.3263 -26.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9454 10.1918 -27.3826 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2464 9.6489 -26.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3607 10.4845 -25.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7552 10.1722 -24.1531 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0393 9.0330 -24.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9101 8.1932 -25.1474 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5064 8.4686 -26.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4122 7.6300 -27.4662 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3522 13.6092 -25.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1085 15.5754 -24.3492 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.3363 13.8678 -21.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3450 13.6118 -23.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9968 14.7366 -24.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4006 13.9854 -25.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6460 12.6075 -24.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1099 12.5093 -23.6718 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0181 11.5806 -25.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8346 11.6004 -27.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2229 10.4729 -27.4748 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0008 9.7087 -26.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5072 10.4218 -25.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4239 9.8922 -24.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8655 8.6932 -23.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3726 7.9997 -24.8925 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4232 8.4741 -26.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9009 7.7333 -27.2509 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5808 14.5620 -25.9214 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1420 15.1505 -23.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1052 13.8200 -21.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2067 13.7699 -23.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2479 14.7217 -24.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6487 13.8396 -25.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6325 12.7027 -25.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7962 12.4781 -23.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1535 11.5408 -25.8193 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3853 11.2732 -27.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8068 10.1094 -27.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1800 9.5878 -26.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4147 10.5085 -25.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9034 10.2476 -24.1766 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1803 9.1416 -23.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9634 8.2629 -24.9243 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4414 8.4437 -26.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2088 7.5128 -27.2135 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5660 14.5332 -26.2974 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2862 15.1144 -23.1095 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8656 13.9668 -22.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5179 13.8057 -23.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4147 14.8650 -24.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2780 13.9978 -25.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6103 12.7902 -24.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4393 12.5768 -23.6099 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5158 11.6804 -25.5821 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9018 11.6389 -26.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6443 10.4022 -27.3564 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0921 9.6426 -26.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0206 10.4637 -25.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5079 10.0013 -24.1371 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0637 8.7344 -24.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1337 7.9341 -25.1392 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6361 8.3459 -26.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7040 7.4947 -27.4371 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5760 13.6856 -25.7365 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2052 15.5819 -23.9338 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2760 14.3010 -22.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9313 13.6791 -23.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0841 14.6207 -23.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3842 13.6136 -24.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5772 12.6758 -25.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0202 12.4897 -23.7467 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2048 11.4749 -25.7072 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7377 11.0699 -26.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2020 9.9159 -27.2755 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3155 9.5501 -26.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3269 10.5434 -25.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5103 10.4273 -24.2934 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7064 9.3540 -24.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6967 8.3998 -25.1522 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4890 8.4638 -26.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4981 7.4734 -27.2549 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9492 14.1788 -25.9897 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2173 15.3766 -23.1678 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.7571 14.0409 -22.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0647 13.6723 -23.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2613 14.5112 -24.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0704 14.0026 -25.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8496 12.6533 -24.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8823 12.4034 -23.6962 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6740 11.6140 -25.5632 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9273 11.5874 -26.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6004 10.3803 -27.3832 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1301 9.6154 -26.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1781 10.3881 -25.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7513 9.8294 -24.1044 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2888 8.5481 -24.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2565 7.8208 -25.1878 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6615 8.3006 -26.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6195 7.5125 -27.5547 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9911 14.8665 -25.0261 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1629 15.8613 -24.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6795 13.4889 -23.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2601 13.8618 -23.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5437 14.5669 -24.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1941 13.8823 -24.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4914 12.5724 -24.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5732 12.7408 -23.2966 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6910 11.5008 -25.0909 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6117 11.4521 -26.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4931 10.2938 -26.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4722 9.6212 -26.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9648 10.3705 -25.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9082 9.9260 -24.4332 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3615 8.7355 -24.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8535 8.0029 -25.7562 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8843 8.3923 -26.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4170 7.6449 -27.5788 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3577 14.6291 -23.9255 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3700 15.9257 -24.4214 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.3010 15.6183 -25.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3063 14.8772 -24.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0423 14.1695 -23.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9802 13.1500 -23.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3366 12.8698 -24.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7153 13.8484 -25.4974 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6754 11.5356 -25.1073 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8903 10.9986 -25.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7664 9.7459 -25.7476 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4553 9.4387 -25.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7805 10.5777 -25.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4335 10.5123 -25.5255 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7699 9.4281 -25.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4483 8.3270 -26.3314 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8107 8.3010 -26.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5457 7.1557 -26.7252 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5213 12.0256 -22.6993 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3478 15.0286 -22.6436 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7712 13.4908 -21.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2421 13.7949 -23.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3980 14.8326 -23.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8211 14.0261 -25.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9018 12.6358 -24.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1911 12.6394 -24.0267 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7421 11.6008 -25.5646 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0686 11.5707 -26.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7162 10.3532 -27.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1803 9.6432 -26.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1834 10.3932 -25.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6827 9.8790 -24.1066 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1825 8.6441 -24.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1553 7.8688 -25.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6499 8.3620 -26.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6302 7.5629 -27.4596 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4924 14.3857 -25.3413 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1180 15.9248 -24.4154 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4476 14.2320 -23.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1720 14.4451 -24.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0188 14.1698 -23.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1337 13.2543 -24.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8745 13.0789 -25.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1246 13.5960 -25.3798 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0116 11.6559 -25.8464 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0857 11.0856 -26.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7908 9.7806 -26.5338 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5560 9.5381 -26.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0563 10.7445 -25.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8124 10.8015 -25.0808 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0603 9.6950 -24.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5562 8.5130 -25.4098 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7855 8.4152 -25.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3223 7.1792 -26.4105 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8993 13.8755 -24.3858 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4194 13.5479 -22.2081 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2334 13.7792 -23.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7350 13.7792 -22.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1354 14.7272 -23.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2308 13.9013 -25.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7406 12.5717 -24.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2846 12.5343 -23.4464 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2915 11.4589 -25.5365 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7725 11.2142 -26.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1751 10.1184 -27.2778 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3201 9.6892 -26.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3905 10.5209 -25.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6456 10.3373 -24.1369 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7965 9.2828 -24.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7117 8.4521 -25.1647 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4495 8.6174 -26.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3743 7.7575 -27.4003 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0092 13.7981 -25.8717 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8307 15.0683 -23.6623 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6657 13.9853 -23.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3832 13.3436 -23.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1875 13.8517 -23.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0770 13.2090 -24.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7261 13.0783 -25.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9801 13.6646 -25.2783 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9023 11.6998 -25.7608 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9899 11.1803 -26.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7789 9.8703 -26.5718 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5594 9.5733 -26.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9937 10.7222 -25.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7563 10.6891 -25.0083 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1077 9.5242 -24.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6547 8.3849 -25.4795 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8702 8.3741 -26.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4481 7.2020 -26.5636 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9565 14.0317 -24.0513 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0896 15.2236 -23.3793 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5172 14.8480 -23.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3824 14.0672 -24.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0421 14.5477 -23.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2053 13.3005 -23.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2231 12.2118 -23.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4716 12.7635 -23.8271 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1475 11.2447 -24.9138 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0576 11.0415 -25.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5874 10.0501 -26.6654 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4037 9.6481 -26.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1081 10.4008 -25.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9612 10.1627 -24.4159 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0765 9.2235 -24.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3977 8.5085 -25.8956 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5187 8.6798 -26.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8188 7.8965 -27.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6523 13.3943 -25.2344 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5557 15.6186 -24.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9996 15.8087 -25.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1035 14.3720 -25.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9384 14.4118 -23.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6158 12.9300 -23.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7767 12.6514 -24.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0513 13.5989 -25.4494 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9407 11.3049 -24.9979 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0962 10.6205 -25.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8025 9.4118 -25.5775 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4723 9.3509 -25.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9379 10.5432 -25.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6024 10.7636 -25.6601 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8113 9.8128 -26.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3509 8.6349 -26.5463 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6561 8.3776 -26.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2007 7.1260 -26.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9684 12.7245 -22.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8024 15.1648 -23.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5307 13.7535 -23.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3636 14.5313 -24.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2926 14.5574 -23.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8656 13.0848 -23.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8847 12.9278 -25.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8521 13.7509 -25.5369 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0442 11.5468 -25.4386 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1674 10.8873 -25.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8747 9.6224 -26.0599 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5247 9.4806 -25.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0119 10.6934 -25.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6762 10.7810 -25.3945 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8875 9.7134 -25.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3809 8.5337 -25.9835 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6938 8.4019 -26.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2500 7.1562 -26.5659 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6196 12.8743 -22.9942 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2068 15.3112 -23.8141 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.3762 14.0634 -21.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4177 13.6542 -22.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5112 14.7368 -23.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8702 14.0205 -25.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4339 12.6251 -24.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1083 12.4785 -23.5317 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8219 11.6231 -25.6943 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5207 11.7861 -26.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9634 10.6346 -27.4086 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9162 9.7626 -26.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4703 10.3967 -25.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5435 9.7340 -24.1016 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1034 8.4807 -23.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5591 7.8453 -25.0328 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4700 8.4734 -26.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9023 7.8046 -27.3247 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2851 14.5306 -26.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8537 14.9577 -24.2548 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.9748 15.4885 -23.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7799 14.8523 -24.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1709 14.5909 -24.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3184 13.0951 -24.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9312 12.6243 -24.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2268 13.6752 -25.1218 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9176 11.4428 -25.4184 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7428 11.1170 -26.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4084 9.9345 -26.9728 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3446 9.4728 -26.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0305 10.4029 -25.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9943 10.2228 -24.5085 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2292 9.1242 -24.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5289 8.2154 -25.5324 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5515 8.3474 -26.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8341 7.3590 -27.3738 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7860 12.5724 -23.0494 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3571 15.0706 -22.9351 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8507 15.5864 -24.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3487 14.3396 -24.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9312 14.4823 -23.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3217 13.1258 -23.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5502 12.3493 -24.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3363 13.2871 -24.9795 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3225 11.1549 -25.0679 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3013 10.4832 -25.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7804 9.4266 -26.2963 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4676 9.3969 -26.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1815 10.4900 -25.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9411 10.7557 -24.8707 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9757 9.8968 -25.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2254 8.8079 -26.0168 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4596 8.5309 -26.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8118 7.4196 -27.2391 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4950 13.3677 -25.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8262 14.7075 -22.2332 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2729 15.4096 -24.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4942 14.1533 -24.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1899 14.4595 -23.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4427 13.1534 -23.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9410 12.8873 -25.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1483 13.5076 -25.3823 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0263 11.4772 -25.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1531 10.7791 -25.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8364 9.4901 -26.0215 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5177 9.3639 -25.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9858 10.6191 -25.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6599 10.7704 -25.5097 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8348 9.7278 -25.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3630 8.5352 -25.9681 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6719 8.2902 -26.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1760 6.9996 -26.4332 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0774 13.3215 -23.7526 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3357 14.6632 -22.1706 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9236 13.9725 -21.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8635 14.0432 -23.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2297 14.0612 -23.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9924 13.3005 -25.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5311 13.0001 -25.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3447 12.8323 -23.6101 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1290 11.8458 -25.7373 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5722 11.8288 -26.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3259 10.5520 -27.3371 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7163 9.7336 -26.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2222 10.5563 -25.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6923 9.9911 -24.2557 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6842 8.6545 -24.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1931 7.8714 -25.0792 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6973 8.3582 -26.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1843 7.4999 -27.2519 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2993 14.1190 -26.1917 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5260 15.3876 -24.0891 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1342 15.0926 -24.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7872 14.7239 -24.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7086 14.6246 -23.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2023 13.1935 -24.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4977 12.5650 -24.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9091 13.5068 -25.5573 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3551 11.2545 -25.1037 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3535 10.3902 -25.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8629 9.2298 -25.8195 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5371 9.3666 -25.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2074 10.6500 -25.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9104 11.0168 -25.4227 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9622 10.1544 -25.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2870 8.9267 -26.2693 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5663 8.4950 -26.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8920 7.1928 -26.7725 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6951 12.6263 -22.9928 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2589 14.5984 -22.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.5739 14.8590 -22.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5613 14.5891 -23.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9693 14.6157 -24.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3601 13.1639 -24.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0663 12.4354 -24.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0395 13.3502 -24.1785 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8480 11.5076 -25.2751 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2850 11.5979 -26.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8536 10.5111 -27.2434 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1404 9.7321 -26.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1362 10.3557 -25.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4937 9.8156 -24.1058 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8557 8.6426 -24.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8498 8.0195 -25.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4732 8.5199 -26.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4717 7.8706 -27.8384 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2118 12.9813 -23.2295 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9377 15.0409 -25.7598 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7669 15.3450 -24.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5274 13.9922 -23.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2044 13.8948 -23.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3416 13.0527 -23.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2540 12.7801 -25.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5391 13.0402 -24.7541 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1846 11.4159 -25.6154 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2166 10.7614 -26.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7934 9.5212 -26.5123 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5075 9.4166 -26.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1184 10.6100 -25.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8580 10.7848 -25.0866 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9634 9.7802 -25.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3231 8.6014 -25.7157 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5758 8.4006 -26.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9825 7.1819 -26.7813 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2797 13.8700 -24.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6906 15.1590 -22.8535 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.6077 14.1638 -22.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5004 13.8547 -23.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9526 14.6392 -24.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5911 13.9381 -24.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9246 12.5579 -24.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2315 12.5508 -23.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6866 11.5458 -25.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0116 11.6700 -26.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6530 10.5455 -27.1983 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0912 9.6891 -26.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1221 10.3311 -25.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6165 9.6831 -24.0523 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0949 8.4490 -24.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0720 7.8295 -25.3856 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5650 8.4249 -26.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5272 7.7539 -27.7364 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0792 14.0079 -25.9504 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7999 15.9738 -24.2894 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.7857 14.3218 -24.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3892 14.0451 -23.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3158 14.5439 -24.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1672 13.6057 -24.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9026 12.3770 -23.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1718 12.7137 -23.3974 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9214 11.3960 -24.8455 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8250 11.2983 -25.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5017 10.2551 -26.6433 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3948 9.6784 -26.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0330 10.3990 -25.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9294 10.0128 -24.3784 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1993 8.9615 -24.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5669 8.2766 -25.8912 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6536 8.5895 -26.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0488 7.8709 -27.7829 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2991 13.4077 -25.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0217 15.8550 -24.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4688 15.3687 -24.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5094 14.0397 -23.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2411 13.8151 -23.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3523 13.1669 -24.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2794 12.7806 -25.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5735 12.9637 -24.6588 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1815 11.4416 -25.6221 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2038 10.7753 -26.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7735 9.5163 -26.5289 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4971 9.3919 -26.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1567 10.6035 -25.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9117 10.7474 -25.0936 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9967 9.7629 -25.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3266 8.5773 -25.6842 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5791 8.3722 -26.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9458 7.1373 -26.7676 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4310 14.1433 -24.4823 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6989 15.0044 -22.5634 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.0560 15.2162 -23.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6892 14.8034 -24.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1756 14.5707 -24.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2448 13.0945 -24.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8506 12.5825 -24.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1420 13.6086 -25.0618 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8623 11.4607 -25.3657 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6325 11.2217 -26.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3164 10.0513 -27.0079 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3057 9.5079 -26.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0226 10.3870 -25.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0333 10.0856 -24.4014 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3581 8.9432 -24.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6327 8.0900 -25.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6049 8.3279 -26.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8996 7.4280 -27.5094 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6585 12.8952 -22.8828 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6422 15.3335 -23.4103 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.1865 14.0923 -21.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8783 14.0989 -23.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0672 14.5439 -24.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9918 13.5735 -25.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5997 13.0200 -25.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5387 12.8188 -23.6728 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3730 11.8197 -25.7926 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4149 11.7248 -27.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1574 10.4586 -27.5177 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9467 9.7308 -26.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0818 10.5847 -25.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9136 10.0839 -24.0917 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6213 8.7807 -23.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4920 7.9570 -24.9960 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6465 8.3912 -26.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5187 7.5591 -27.3996 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8973 12.5234 -25.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8016 15.8467 -24.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8024 13.6291 -22.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4544 13.7070 -22.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3291 14.7440 -24.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7646 13.9210 -25.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4695 12.5965 -24.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1729 12.4713 -23.5025 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0283 11.5224 -25.6473 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2003 11.4348 -26.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6659 10.2914 -27.4448 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1499 9.6558 -26.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3728 10.4222 -25.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9527 10.0093 -24.0352 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3095 8.8275 -23.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0775 8.0622 -25.0469 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4863 8.4503 -26.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2512 7.6496 -27.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1323 14.4165 -26.3879 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5076 15.7970 -23.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0966 14.6620 -25.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5914 14.7992 -25.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3197 14.6385 -23.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9564 13.1756 -23.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4435 12.8862 -24.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9753 13.7969 -25.6839 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7509 11.5147 -25.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9648 10.9489 -25.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8675 9.6637 -25.7104 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5768 9.3768 -25.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8766 10.5281 -25.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5274 10.5628 -25.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8502 9.4584 -25.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5370 8.3410 -26.2639 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8682 8.2418 -26.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5787 7.0573 -26.5462 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9172 13.0674 -22.5142 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4287 14.8887 -22.7608 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.6198 14.2858 -24.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1174 14.5009 -24.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6636 14.0149 -23.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4631 13.1757 -23.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5685 12.9542 -25.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5099 13.7909 -25.6278 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8193 11.5611 -25.4432 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0400 11.0414 -25.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8691 9.7370 -25.9498 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5678 9.4017 -25.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9023 10.5870 -25.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5702 10.5324 -25.4845 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8485 9.4070 -25.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5235 8.2647 -25.9979 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8516 8.2364 -26.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5428 7.0398 -26.4511 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3299 13.9324 -23.3571 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3197 15.1448 -22.5373 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.8374 15.2311 -25.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3582 14.4242 -24.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8945 14.6347 -23.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2270 13.3683 -24.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3209 12.8418 -25.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4551 13.0613 -24.4224 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2117 11.4422 -25.4641 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2555 10.5963 -25.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8106 9.3639 -25.7977 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4817 9.3982 -25.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0950 10.7114 -25.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7884 11.0222 -25.7158 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8724 10.0423 -25.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2593 8.7598 -26.1646 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5616 8.3971 -26.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9948 7.0589 -26.3474 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9631 12.5420 -23.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7398 14.7124 -22.3725 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0699 14.1646 -21.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5244 13.6092 -23.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7215 14.6678 -24.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2786 13.9531 -25.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1969 13.0465 -24.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6194 12.6927 -23.5512 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0413 11.8858 -25.6571 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8651 11.8743 -26.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7604 10.5958 -27.4263 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8680 9.7696 -26.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0442 10.5976 -25.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1832 10.0169 -24.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1464 8.6758 -23.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9756 7.8779 -25.0306 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8318 8.3925 -26.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6505 7.5786 -27.4127 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2819 13.1449 -25.8649 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0679 15.0642 -24.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7725 14.8504 -23.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1160 13.6353 -23.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6200 13.7793 -23.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6715 13.6786 -24.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8028 12.7283 -25.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4218 12.5205 -23.8853 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4542 11.4913 -25.7239 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1432 10.8659 -26.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5313 9.7375 -27.0023 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4135 9.5843 -26.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3709 10.6988 -25.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3655 10.8239 -24.5832 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3989 9.9021 -24.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4488 8.8178 -25.2734 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4331 8.6313 -26.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5040 7.4949 -27.0038 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4919 13.3357 -25.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1673 15.0320 -23.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.1350 14.0375 -21.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9036 13.6489 -23.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6792 14.7098 -24.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0190 13.9155 -25.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6589 12.5480 -24.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4855 12.4445 -23.5744 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0573 11.5083 -25.6922 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9976 11.4856 -27.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3772 10.3909 -27.4614 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0107 9.6607 -26.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4484 10.3816 -25.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2080 9.8703 -24.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5700 8.7074 -23.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1431 8.0035 -25.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3519 8.4600 -26.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8956 7.7049 -27.3492 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3272 14.3896 -26.4602 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8589 15.7409 -23.6518 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1620 15.3841 -24.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5037 14.0459 -24.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2264 14.2658 -23.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3070 13.2450 -23.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9171 12.9702 -25.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1651 13.5211 -25.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0172 11.5646 -25.6334 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1119 10.8700 -25.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8100 9.5762 -26.2084 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5128 9.4283 -25.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0106 10.6615 -25.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6986 10.7542 -25.3572 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9065 9.6696 -25.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4017 8.4691 -25.7846 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7086 8.2918 -26.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2332 7.0311 -26.4436 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0141 13.7949 -24.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4204 14.0647 -22.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1038 15.3678 -24.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8120 14.7815 -24.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7623 14.6519 -23.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4449 13.1509 -23.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8805 12.8356 -25.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0923 13.5153 -25.2825 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9992 11.4389 -25.4727 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1043 10.6782 -25.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7822 9.3961 -25.8287 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4434 9.3298 -25.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9719 10.6093 -25.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6222 10.7846 -25.7164 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7814 9.7642 -25.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2740 8.5295 -26.1693 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5908 8.2767 -26.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1347 6.9853 -26.3758 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1933 12.4521 -22.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1337 15.0603 -22.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1783 15.0245 -25.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0969 14.0119 -25.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8234 14.6014 -24.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0564 13.3047 -24.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1878 12.3538 -23.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3792 13.0255 -24.1392 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1727 11.1699 -24.7184 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2812 10.5118 -25.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9104 9.4645 -25.8362 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5502 9.4612 -25.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0912 10.5469 -25.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7592 10.7443 -25.1514 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9081 9.8945 -25.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3611 8.8417 -26.4706 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6936 8.6056 -26.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2352 7.5143 -27.2638 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2776 13.4136 -23.0559 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1643 15.1179 -23.2267 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3116 12.9620 -23.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4650 14.0260 -24.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1698 14.2590 -23.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2914 13.1813 -23.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8996 13.0580 -25.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1293 13.6525 -25.2832 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0159 11.6916 -25.7267 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0419 11.1348 -26.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7890 9.8485 -26.6325 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5810 9.5464 -26.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0966 10.7045 -25.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8857 10.7364 -24.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1503 9.6175 -24.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6067 8.4846 -25.4483 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8080 8.3915 -26.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2738 7.1909 -26.6394 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9635 13.6390 -23.9586 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6480 15.4833 -23.7541 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2029 15.1166 -23.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4820 13.8022 -23.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0728 14.0369 -23.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2874 13.1085 -24.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2414 12.8480 -25.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5147 13.0575 -24.6855 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1487 11.4952 -25.6513 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1161 10.8544 -26.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7036 9.6130 -26.6592 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4614 9.4303 -26.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1332 10.6176 -25.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9400 10.7516 -24.9727 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0836 9.7151 -25.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3930 8.5400 -25.6251 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5849 8.3642 -26.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9160 7.1382 -26.8679 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1563 13.7568 -24.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6890 15.3619 -23.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0101 15.4852 -24.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8759 14.7346 -24.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7158 14.5991 -23.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4027 13.1047 -23.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0046 12.8352 -25.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2235 13.4530 -25.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0944 11.4221 -25.5291 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1818 10.6414 -25.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7879 9.3849 -25.8954 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4428 9.3269 -25.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0137 10.6379 -25.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6926 10.8816 -25.6829 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8238 9.8707 -25.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2357 8.6094 -26.1184 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5519 8.2954 -26.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9827 6.9651 -26.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0706 12.3809 -22.9086 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0164 14.9800 -22.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4759 13.6240 -21.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5214 13.6703 -23.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0246 14.5281 -24.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1723 14.0012 -25.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5365 12.7796 -24.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3837 12.4330 -23.6909 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4008 11.6963 -25.6926 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5010 11.6669 -27.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2899 10.4119 -27.4358 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0515 9.6193 -26.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1235 10.4433 -25.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9157 9.8757 -24.0851 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6496 8.5667 -23.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5826 7.7707 -25.0609 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7773 8.2598 -26.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7112 7.4430 -27.4567 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2497 14.9614 -25.7046 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7598 15.8567 -23.9223 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.9711 15.0916 -23.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8063 14.8938 -24.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2188 14.4824 -23.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1814 12.9777 -24.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7903 12.7115 -24.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3060 13.8988 -25.1205 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7151 11.6094 -25.4847 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2690 11.4677 -26.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9589 10.2800 -27.2236 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1748 9.6211 -26.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0230 10.4502 -25.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2741 10.0371 -24.2295 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6621 8.8434 -24.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8138 8.0346 -25.2639 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5514 8.3896 -26.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6856 7.5052 -27.4401 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1516 12.4610 -24.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5737 14.8529 -22.7153 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5948 14.5388 -24.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1127 14.6348 -24.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3044 14.4855 -23.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4882 13.2387 -23.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6827 12.9739 -25.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7996 13.6397 -25.5188 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8657 11.5609 -25.3914 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0300 10.8847 -25.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7961 9.5921 -25.7641 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4767 9.4077 -25.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9076 10.6462 -25.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5568 10.7317 -25.6897 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7739 9.6702 -25.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3630 8.4856 -26.1805 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6948 8.2971 -26.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2937 7.0262 -26.3919 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9101 12.1751 -22.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4762 15.6191 -23.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.7227 14.4675 -21.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5735 14.3460 -23.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8697 14.6916 -24.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9421 13.6050 -25.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4940 13.1124 -25.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2716 13.0444 -23.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3428 11.8435 -25.9135 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4687 11.6631 -27.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2699 10.3640 -27.5475 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0140 9.6946 -26.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0604 10.6347 -25.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8377 10.2330 -24.1607 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5698 8.9463 -23.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5254 8.0421 -24.8853 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7398 8.3706 -26.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6964 7.4354 -27.2217 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7495 12.5623 -24.8623 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9791 14.5515 -23.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3852 15.1366 -24.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3496 14.0742 -24.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0528 14.5524 -23.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1602 13.3785 -24.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7088 13.0260 -25.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8563 13.7513 -25.6193 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9178 11.6010 -25.5782 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0980 10.9564 -25.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8155 9.6544 -25.7471 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4853 9.4541 -25.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9146 10.7115 -25.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5737 10.7700 -25.7665 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7974 9.6700 -25.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3556 8.4645 -26.0212 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6917 8.3293 -25.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2994 7.0510 -26.0888 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4667 12.3503 -23.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1984 14.6765 -22.3199 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2400 14.1924 -22.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1212 13.4396 -23.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8948 14.3384 -23.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1013 13.4018 -24.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2102 12.8953 -25.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3951 13.0309 -24.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0145 11.6067 -25.7576 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7275 11.1728 -26.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3385 9.9371 -27.1544 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3862 9.5433 -26.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1885 10.6063 -25.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2790 10.4913 -24.4964 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5524 9.3670 -24.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7422 8.3381 -25.2246 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6449 8.3666 -26.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8708 7.3127 -27.1276 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1414 14.1264 -25.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2786 15.4413 -24.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7956 13.4287 -22.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3187 13.6156 -22.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1621 14.7873 -23.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6077 14.1751 -25.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1510 12.8575 -24.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9049 12.4836 -23.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2079 11.7864 -25.6439 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4487 11.8021 -26.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3960 10.5387 -27.4242 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1215 9.7232 -26.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9992 10.5001 -25.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7217 9.9270 -24.0531 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5579 8.6141 -23.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6776 7.8648 -25.0305 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9503 8.3604 -26.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0754 7.5612 -27.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6541 14.1846 -26.0484 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3766 15.3978 -24.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4239 13.9635 -21.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9536 13.6204 -23.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8303 14.7633 -24.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4541 13.9882 -25.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5940 12.9059 -24.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3118 12.5356 -23.7202 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4124 11.7729 -25.6797 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5581 11.7531 -27.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2949 10.4847 -27.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9932 9.7439 -26.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0623 10.5461 -25.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7889 9.9795 -24.0675 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4554 8.6849 -23.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3825 7.8919 -25.0141 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6508 8.4191 -26.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5544 7.5209 -27.3394 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6482 13.4825 -25.9499 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7582 15.5513 -23.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7522 15.5097 -24.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5212 14.0110 -24.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6383 13.5500 -23.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2926 13.4688 -24.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7198 13.1153 -25.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9151 13.7583 -25.6694 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9012 11.7134 -25.6507 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0475 11.0520 -25.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8233 9.7384 -25.9943 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4883 9.5217 -25.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9217 10.7516 -25.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5836 10.8448 -25.5471 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8623 9.7234 -25.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4094 8.4979 -25.8366 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7488 8.3645 -25.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3352 7.0895 -26.2003 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5396 12.4856 -23.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6268 14.4121 -22.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.0698 14.1440 -22.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6822 13.6184 -22.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6751 14.4896 -23.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3620 13.6994 -24.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4466 12.6656 -24.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5508 12.3566 -23.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1006 11.5065 -25.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5350 11.3022 -26.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0310 10.1233 -27.3622 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2785 9.5940 -26.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3239 10.4633 -25.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6422 10.1607 -24.1792 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9346 9.0149 -24.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8835 8.1743 -25.1616 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5437 8.4299 -26.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5157 7.5614 -27.4184 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4141 14.5415 -25.9461 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1378 15.7624 -23.8776 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3205 13.9608 -22.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9211 13.8724 -23.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8484 14.4264 -24.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4500 13.9576 -25.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4282 12.6204 -24.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4893 12.5680 -23.4605 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5190 11.5656 -25.3338 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1379 11.6221 -26.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0077 10.4453 -27.1667 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2832 9.6477 -26.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9739 10.3416 -25.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2598 9.7340 -24.2376 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8269 8.4708 -24.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1259 7.7911 -25.4645 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8337 8.3400 -26.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1587 7.6399 -27.6346 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5640 14.8111 -24.3729 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9787 15.7930 -24.7065 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4490 13.0883 -22.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3368 13.6167 -22.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9115 14.5349 -23.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6864 13.7530 -25.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4525 12.9610 -24.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7123 12.5746 -23.5727 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2642 11.8229 -25.7127 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1744 11.7624 -27.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9986 10.4966 -27.4566 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9739 9.7313 -26.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1386 10.5539 -25.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1468 9.9886 -24.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9976 8.6613 -23.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8363 7.8644 -24.9768 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8183 8.3581 -26.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6491 7.5223 -27.3595 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4783 14.6461 -26.2566 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1024 15.6716 -24.0093 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5621 14.2993 -23.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4090 13.4367 -23.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0843 14.0859 -23.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1341 13.1946 -24.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9513 13.0010 -25.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2297 13.4150 -25.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9746 11.6400 -25.7541 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9787 11.1158 -26.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6786 9.8342 -26.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4945 9.5607 -26.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0277 10.6861 -25.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8604 10.6678 -24.8779 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1587 9.5202 -24.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5891 8.3983 -25.4555 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7592 8.3937 -26.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2346 7.2048 -26.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9206 13.7908 -24.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0797 15.3633 -23.7389 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0202 14.1331 -22.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9898 13.5389 -23.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2409 14.4961 -24.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7284 13.7166 -25.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7703 12.7650 -24.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5321 12.3534 -23.5677 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4505 11.6858 -25.5522 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4005 11.8304 -26.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0721 10.6123 -27.3904 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9263 9.7464 -26.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1650 10.4194 -25.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0851 9.7768 -23.9984 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7692 8.4698 -23.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5312 7.7918 -25.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6046 8.4090 -26.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3503 7.6749 -27.5019 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0789 14.5739 -26.2269 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4117 15.6145 -24.0177 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5818 13.5346 -22.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3637 13.8989 -23.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0020 14.5406 -23.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2559 13.3693 -24.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3760 12.8787 -25.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4441 12.8401 -24.3129 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0915 11.6100 -25.7837 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6848 11.2004 -26.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2327 9.9824 -27.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3529 9.6052 -26.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2631 10.6215 -25.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4331 10.5204 -24.3556 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7115 9.3898 -24.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7864 8.3845 -25.1533 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6001 8.4617 -26.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7072 7.4268 -27.1831 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1491 13.7824 -24.9703 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0911 15.5608 -24.5383 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1068 13.4388 -21.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2368 13.7912 -22.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0443 14.3469 -24.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1797 14.0326 -25.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1969 13.0424 -24.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7075 12.6217 -23.5669 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0388 11.8774 -25.6308 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8353 11.8556 -26.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7386 10.5844 -27.3961 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8775 9.7774 -26.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0650 10.5882 -25.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2280 9.9665 -24.0726 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2158 8.6498 -23.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0299 7.8630 -25.0337 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8590 8.4051 -26.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6684 7.5587 -27.3645 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9213 13.4922 -26.3967 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1777 15.7161 -23.9471 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3032 15.2476 -23.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3894 14.1394 -23.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9362 14.5029 -23.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2824 13.1371 -23.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4499 12.2281 -23.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5276 13.0456 -24.3327 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2691 11.2066 -24.9104 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1787 10.7953 -25.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6725 9.8160 -26.5796 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4181 9.5695 -26.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1691 10.4384 -25.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9694 10.4247 -24.5472 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0333 9.5589 -24.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2794 8.7102 -25.9935 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4577 8.6697 -26.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7411 7.7897 -27.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3440 13.0668 -24.7645 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7060 15.2615 -24.8105 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.7041 14.0571 -22.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2459 13.8763 -23.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8662 14.4562 -23.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5415 13.7591 -25.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6124 12.7265 -25.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0164 12.5229 -23.8135 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2472 11.5198 -25.8098 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7479 11.0800 -26.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1945 9.9055 -27.3267 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3307 9.5897 -26.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3636 10.5948 -25.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5787 10.5087 -24.3602 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7511 9.4641 -24.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7255 8.4881 -25.1037 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4839 8.5036 -26.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4470 7.4659 -27.1718 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2610 13.2769 -25.0969 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0093 15.8128 -23.8966 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2939 14.6554 -23.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3965 13.5251 -24.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2845 13.3074 -23.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0556 13.3219 -24.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6047 13.1095 -25.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8082 13.8364 -25.4695 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8543 11.7175 -25.8383 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9497 11.1469 -26.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7811 9.8230 -26.4955 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5628 9.5296 -26.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9697 10.7222 -25.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7167 10.6609 -25.1388 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0548 9.4983 -25.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6523 8.3631 -25.4585 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8957 8.3321 -25.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5040 7.1254 -26.3883 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5212 14.6062 -24.0936 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2215 14.3270 -22.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.4090 15.6975 -25.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4193 14.8109 -24.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1020 14.1626 -23.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2243 12.9539 -23.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5654 12.7530 -24.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0394 13.7216 -25.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8168 11.4065 -25.1833 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9968 10.7779 -25.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8231 9.5181 -25.7687 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5148 9.3340 -25.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8644 10.4971 -25.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5180 10.5986 -25.5856 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8072 9.5298 -25.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4378 8.3933 -26.3391 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7687 8.2356 -26.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4320 7.0376 -26.6886 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3288 13.2180 -22.3881 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0591 14.9621 -22.5013 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9094 13.8495 -22.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4029 14.3312 -23.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9130 14.6008 -23.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3175 13.2259 -24.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5469 12.4205 -24.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5083 13.3307 -24.7661 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3107 11.3663 -25.2455 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0614 11.0579 -26.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4892 9.9855 -26.9321 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3737 9.6109 -26.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2913 10.5081 -25.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2609 10.3699 -24.3518 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3442 9.3979 -24.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4358 8.5470 -25.5506 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4428 8.6109 -26.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5472 7.7147 -27.5397 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4064 13.2523 -25.0401 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5653 15.4280 -24.7867 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.7433 13.8450 -21.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9805 13.7981 -23.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1136 14.7319 -24.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5612 13.8309 -25.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6186 12.7394 -25.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7663 12.5159 -23.7382 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1964 11.5657 -25.8172 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5460 11.2669 -27.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9877 10.0936 -27.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2665 9.6207 -26.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4084 10.5490 -25.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8068 10.3858 -24.2301 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0564 9.2856 -24.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9069 8.3708 -25.0186 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4882 8.4907 -26.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3600 7.5580 -27.2752 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3723 13.2721 -24.6448 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9479 15.6879 -24.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.7262 14.7737 -23.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6114 14.6524 -24.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0522 14.4575 -23.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3066 13.0405 -24.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3355 12.9651 -25.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2018 13.5538 -25.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1008 11.6402 -26.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7394 11.0633 -27.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2864 9.8046 -27.2424 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3511 9.5510 -26.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2431 10.7180 -25.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3664 10.7493 -24.5688 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6020 9.6745 -24.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7051 8.5484 -25.0355 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5693 8.4484 -26.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6592 7.2587 -26.8145 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9861 12.1178 -23.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2844 14.5907 -22.5596 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9737 14.1284 -21.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7840 14.2177 -23.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0734 14.5053 -23.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1488 13.3677 -25.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6519 13.0572 -25.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2903 13.0125 -23.8075 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4418 11.8333 -25.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5791 11.7011 -27.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3122 10.4250 -27.5331 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0004 9.7203 -26.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0848 10.6167 -25.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8198 10.1870 -24.1253 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4812 8.8954 -23.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3977 8.0183 -24.9886 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6498 8.3976 -26.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5892 7.5581 -27.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8161 12.2836 -24.4617 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0327 15.6829 -24.7337 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5324 14.9204 -23.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4483 14.1301 -24.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0802 14.7692 -24.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1888 13.5877 -24.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0161 12.4276 -24.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2652 12.8856 -23.7605 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9954 11.3907 -25.0447 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8726 11.1791 -26.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4741 10.0884 -26.7462 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3594 9.5943 -26.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0643 10.4170 -25.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9620 10.1065 -24.3972 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1684 9.0747 -24.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4733 8.2734 -25.7132 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5471 8.5036 -26.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8472 7.6534 -27.5869 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0498 13.5651 -25.9494 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7826 15.0411 -22.8222 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5020 14.4416 -24.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3236 14.0968 -23.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0898 14.6801 -24.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1657 13.5009 -24.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9454 12.3488 -23.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2148 12.7469 -23.5004 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0114 11.3279 -24.8235 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0287 11.0770 -25.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7130 10.0481 -26.4913 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4953 9.6301 -26.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0653 10.4324 -25.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8424 10.2062 -24.5977 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0764 9.2265 -25.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4993 8.4508 -26.0938 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7061 8.6138 -26.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1483 7.7836 -27.7411 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9961 13.6647 -23.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3035 15.3317 -25.3773 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5519 14.8633 -23.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4520 14.1239 -24.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1027 14.8276 -24.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1592 13.6889 -24.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9393 12.4927 -24.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2109 12.8982 -23.7625 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9202 11.4071 -25.0599 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7787 11.1999 -26.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4299 10.0825 -26.7616 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3442 9.5637 -26.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0312 10.3945 -25.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9539 10.0795 -24.3832 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2219 8.9890 -24.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5391 8.1753 -25.7259 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6018 8.4447 -26.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8878 7.5660 -27.5803 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0476 13.7628 -25.9226 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9545 15.0484 -22.7808 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5078 14.4705 -23.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2440 14.4976 -24.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9960 14.4205 -23.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4268 13.0495 -23.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6237 12.4123 -24.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1947 13.4293 -25.1436 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3589 11.2306 -25.1777 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2930 10.6536 -25.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7366 9.5758 -26.5411 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4640 9.4700 -26.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2308 10.5052 -25.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0380 10.6476 -24.7231 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0526 9.7494 -25.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2546 8.7165 -25.8476 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4566 8.5527 -26.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7298 7.4840 -27.3179 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4021 13.3006 -24.6865 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1170 15.4421 -23.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9143 14.7151 -24.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5754 14.6699 -24.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5095 14.3367 -23.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8292 12.8675 -23.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7328 12.5229 -24.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5565 13.5220 -25.5518 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5291 11.2142 -25.1129 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4703 10.2836 -25.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8672 9.1920 -25.8566 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5434 9.3902 -25.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3400 10.6836 -25.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0829 11.1607 -25.4484 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0112 10.4692 -25.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2325 9.2121 -26.3164 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4576 8.6683 -26.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6679 7.3534 -26.8554 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5401 12.8839 -22.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2672 14.4628 -24.3532 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6779 15.7211 -25.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6094 14.7321 -24.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6301 14.4928 -23.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5105 12.9700 -23.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9732 12.6717 -24.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8194 13.4767 -25.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0353 11.2910 -25.0929 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0971 10.4856 -24.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7055 9.2645 -25.4242 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4265 9.2908 -25.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9974 10.5877 -25.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7400 10.8894 -25.8909 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8651 9.9730 -26.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3078 8.7277 -26.5902 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5627 8.3213 -26.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9982 6.9839 -26.5394 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6453 12.6056 -22.3562 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5256 15.1230 -22.8959 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5715 14.7799 -23.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3346 14.3192 -24.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1826 14.0553 -23.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3427 13.0835 -24.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1830 12.8591 -25.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4785 13.0785 -24.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1182 11.4782 -25.7098 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1308 10.8559 -26.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7498 9.5970 -26.5967 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4980 9.4312 -26.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1022 10.6127 -25.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8680 10.7730 -25.0458 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0079 9.7400 -25.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3854 8.5711 -25.5942 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5931 8.3764 -26.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0102 7.1603 -26.7205 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1179 13.6400 -24.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4527 15.1965 -22.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3139 14.4803 -24.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8431 14.7094 -24.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0411 14.6184 -23.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3037 13.3315 -23.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4017 13.0344 -25.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3759 13.8063 -25.7738 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7464 11.6314 -25.4533 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9811 11.1067 -25.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8232 9.7940 -25.7523 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5109 9.5093 -25.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8226 10.6767 -25.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4630 10.6634 -25.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8244 9.4982 -25.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5007 8.3501 -26.0446 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8383 8.3139 -26.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5908 7.1259 -26.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8448 12.3238 -22.9624 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9017 14.6342 -22.5166 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.1001 14.8986 -22.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5326 14.1757 -24.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1620 14.5952 -24.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3165 13.4110 -24.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2995 12.3116 -24.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5590 12.8367 -23.9381 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1721 11.3035 -25.0648 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0065 11.0850 -26.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5014 10.0464 -26.8033 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3606 9.6050 -26.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1621 10.4192 -25.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0626 10.1691 -24.3858 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1774 9.1962 -24.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3600 8.4174 -25.7236 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4421 8.6121 -26.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6351 7.7753 -27.6453 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5075 13.0983 -25.3443 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7699 15.6515 -23.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2744 13.6263 -22.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0998 13.6959 -22.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3315 14.7454 -23.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1643 13.9586 -25.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5576 12.5745 -24.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9051 12.4955 -23.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0371 11.5501 -25.6825 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0291 11.4902 -27.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4427 10.3543 -27.4517 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0682 9.6732 -26.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4390 10.4192 -25.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1462 9.8989 -24.0651 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5266 8.7178 -23.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1673 7.9940 -25.0327 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4305 8.4566 -26.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0463 7.6846 -27.3846 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0256 14.4750 -26.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4357 15.7978 -23.9104 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.3465 14.4913 -22.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6530 13.1862 -23.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3037 13.5496 -24.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0631 14.0669 -25.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0421 13.0674 -24.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4560 12.6061 -23.3379 O 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9184 11.9425 -25.4732 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6375 11.9959 -26.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6039 10.7595 -27.3079 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8672 9.8818 -26.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0596 10.6396 -25.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3422 9.9671 -24.0525 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4334 8.6359 -24.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2446 7.9071 -25.1207 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9603 8.4939 -26.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7477 7.7895 -27.5033 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2085 14.0713 -26.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 - -14.2394 14.5567 -24.1973 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4106 14.9713 -23.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3968 13.8453 -23.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9847 14.3924 -23.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2531 13.2559 -24.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3043 12.8777 -25.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5337 13.1174 -24.7954 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1827 11.4993 -25.7544 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1461 10.8339 -26.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7268 9.5811 -26.6482 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4829 9.4421 -26.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1683 10.6702 -25.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9857 10.8375 -24.9993 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0864 9.8357 -24.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3923 8.6327 -25.4832 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5713 8.4136 -26.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9100 7.1701 -26.6565 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0780 13.6896 -24.9008 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5134 14.5423 -22.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6081 14.2133 -22.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3628 13.9542 -23.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1107 14.6712 -24.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7449 13.8180 -25.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7807 12.7215 -25.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9923 12.6148 -23.8571 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3573 11.5009 -25.8399 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8966 10.9799 -26.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2684 9.8199 -27.2549 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3423 9.6055 -26.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4082 10.6828 -25.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5672 10.6800 -24.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6634 9.6828 -24.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6112 8.6385 -25.0764 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4373 8.5892 -26.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3763 7.5103 -27.0346 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4467 13.3132 -25.2035 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1525 14.6121 -23.1144 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3583 14.7443 -23.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3000 14.4801 -24.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9328 14.5598 -23.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3132 13.2257 -24.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1877 12.8377 -25.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4596 13.1744 -24.7057 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0929 11.4750 -25.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1469 10.7644 -26.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7698 9.5101 -26.3557 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4696 9.3928 -26.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0627 10.6265 -25.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7853 10.8167 -25.2977 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8686 9.8416 -25.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2601 8.6349 -25.8728 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5285 8.3651 -26.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9648 7.1155 -26.7211 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4350 12.4081 -22.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1914 15.6352 -24.0917 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.9038 13.6244 -22.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5488 13.7166 -22.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5007 14.7764 -24.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7953 14.0860 -25.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3645 12.8000 -24.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2932 12.4949 -23.6151 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3335 11.6992 -25.5395 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5751 11.7964 -26.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4494 10.5530 -27.3769 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1326 9.7072 -26.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0550 10.4357 -25.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7477 9.7794 -24.0565 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5102 8.4557 -24.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5897 7.7728 -25.1627 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8916 8.3517 -26.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9550 7.5517 -27.5223 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6920 14.8734 -25.6251 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.7888 15.1337 -24.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.9903 15.3525 -25.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9695 14.7428 -24.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6844 14.3698 -23.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7312 12.8496 -23.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5903 12.6846 -25.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5551 13.5452 -25.2703 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3621 11.3348 -25.3927 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3724 10.4518 -25.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8549 9.2624 -25.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5354 9.4019 -25.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2064 10.6879 -25.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9165 11.0803 -25.4638 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9758 10.1558 -25.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2698 8.8923 -26.0903 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5468 8.4743 -26.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8930 7.1568 -26.5889 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5791 12.3416 -22.9122 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0940 14.8237 -22.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6337 14.2782 -22.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5138 13.9604 -23.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4905 14.8496 -24.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5335 13.9200 -24.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9254 12.5666 -24.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2158 12.6590 -23.9323 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7702 11.5132 -25.3801 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2715 11.4755 -26.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8764 10.3073 -27.1665 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1488 9.5944 -26.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0753 10.3579 -25.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3945 9.8886 -24.0968 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8054 8.6872 -24.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8734 7.9392 -25.3016 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5360 8.3426 -26.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6494 7.6177 -27.5943 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6052 14.0688 -26.2897 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8080 15.5818 -23.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5167 15.8962 -24.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4623 14.8587 -24.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6735 14.0617 -23.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7098 12.8993 -23.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6053 12.9070 -24.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5556 13.8131 -25.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8815 11.5700 -25.4285 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0406 11.0123 -25.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8202 9.7379 -26.1684 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5035 9.4583 -26.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9421 10.6203 -25.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6026 10.6013 -25.3437 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8425 9.5222 -25.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4327 8.4063 -26.0081 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7457 8.3254 -26.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3639 7.1481 -26.7369 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4712 13.2061 -22.8602 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9572 13.5638 -23.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.8306 14.7930 -22.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9328 13.9718 -23.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5659 14.7767 -24.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6788 13.7769 -25.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3438 12.4733 -24.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4321 12.8065 -23.6217 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8021 11.5401 -25.5801 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6704 11.7311 -26.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1232 10.6011 -27.3873 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9158 9.7255 -26.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3490 10.3203 -25.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2531 9.6399 -24.0624 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7483 8.3959 -23.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3294 7.8283 -25.1263 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3991 8.4502 -26.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9540 7.8323 -27.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9501 13.7489 -25.8343 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8486 15.1963 -23.7854 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.9555 13.6838 -22.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0656 13.5361 -23.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1073 14.6278 -24.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5161 13.9390 -25.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8581 12.7384 -24.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8495 12.3436 -23.7768 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5928 11.6930 -25.6438 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6562 11.6819 -26.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3134 10.4579 -27.4447 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0292 9.6837 -26.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2042 10.4531 -25.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9799 9.9044 -24.0586 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5931 8.6275 -23.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4101 7.8406 -24.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6267 8.3596 -26.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4562 7.5934 -27.4069 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6310 14.7393 -26.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2821 15.7047 -23.7693 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.7578 15.1737 -22.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3904 14.5019 -24.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6933 14.4653 -24.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3051 13.2035 -24.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0747 12.3704 -24.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0061 13.2051 -23.9752 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8735 11.3938 -25.2212 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4155 11.4714 -26.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9939 10.3945 -27.1333 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1860 9.6155 -26.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1239 10.2795 -25.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3704 9.7163 -24.1744 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7136 8.5577 -24.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7837 7.9209 -25.6048 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5149 8.4396 -26.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5924 7.7866 -27.8403 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8547 13.5269 -23.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4771 15.5852 -24.6965 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.6525 15.0629 -23.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6512 14.5787 -24.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4189 14.1455 -24.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9929 12.9513 -23.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9589 12.4170 -24.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0951 13.3782 -25.5074 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6069 11.1545 -25.0591 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4699 10.1608 -25.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8025 9.1049 -25.8589 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4946 9.4167 -25.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3944 10.6882 -25.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1725 11.2356 -25.3775 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.0895 10.5923 -25.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1837 9.3413 -26.2854 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3851 8.7186 -26.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5317 7.4063 -26.8725 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0906 12.0604 -23.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1361 15.1947 -23.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3588 14.5025 -22.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1044 13.8761 -23.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2088 14.8065 -23.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4827 13.8415 -24.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0036 12.5206 -24.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3444 12.8449 -24.1527 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8977 11.4597 -25.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5102 11.2929 -26.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1220 10.1420 -27.1343 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2366 9.5484 -26.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0998 10.3741 -25.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2577 10.0081 -24.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5414 8.8722 -24.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6839 8.0690 -25.3436 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5075 8.3712 -26.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6633 7.5334 -27.4878 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8401 14.1411 -26.2438 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2642 15.4037 -23.1375 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.2487 14.7490 -23.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0271 13.8890 -23.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8713 14.6786 -23.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3190 13.7633 -24.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8891 12.4214 -24.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2075 12.7962 -23.9604 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7984 11.4150 -25.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4275 11.3782 -26.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0863 10.2667 -27.0911 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2121 9.5625 -26.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0341 10.2974 -25.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2100 9.8345 -24.1893 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5803 8.6679 -24.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7458 7.9439 -25.5494 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5574 8.3732 -26.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7174 7.6123 -27.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9621 14.0735 -25.8802 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2330 15.8854 -24.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.7602 13.6030 -21.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7643 13.3706 -23.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5026 14.5201 -23.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9558 13.8654 -25.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0559 12.4215 -24.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6353 12.3116 -23.5593 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3090 11.5375 -25.7241 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1451 11.5897 -27.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3575 10.5500 -27.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0444 9.8638 -26.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6274 10.4676 -25.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4355 9.9287 -24.0395 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6949 8.8265 -23.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1164 8.2270 -24.8832 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2776 8.7280 -26.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6530 8.0678 -27.2223 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0783 14.1033 -26.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7140 15.6260 -24.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.2910 15.7229 -25.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1186 14.8676 -24.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2978 14.5605 -23.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5526 13.0520 -23.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6182 12.7072 -24.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0252 13.6790 -25.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8563 11.3817 -25.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0185 10.7574 -25.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8000 9.5018 -25.8051 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4620 9.3258 -25.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8907 10.5209 -25.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5427 10.5978 -25.5306 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.7975 9.5592 -25.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3743 8.3994 -26.3586 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7085 8.2577 -26.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2944 7.0470 -26.7843 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1418 12.4323 -22.3217 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3372 15.2378 -22.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.1333 13.6310 -22.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4012 13.8839 -23.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1998 14.6584 -24.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3926 13.5067 -24.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5830 12.7756 -25.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4262 12.6791 -24.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2242 11.5343 -25.8969 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7393 11.0676 -27.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2180 9.8833 -27.3363 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3502 9.5968 -26.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3478 10.6229 -25.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5666 10.5784 -24.3407 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7676 9.5154 -24.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7318 8.4659 -24.9878 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5105 8.5210 -26.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5396 7.4608 -27.0364 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4943 13.9491 -25.6297 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5010 15.2778 -23.0619 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.4485 15.2659 -24.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3607 14.1313 -24.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7960 14.4890 -24.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4095 13.1462 -23.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2519 12.2152 -23.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1274 13.0019 -23.7795 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1456 11.3598 -25.0443 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8427 11.3486 -26.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3558 10.3476 -26.9623 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3531 9.7371 -26.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2228 10.3738 -25.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2691 9.9404 -24.2575 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4446 8.9173 -24.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5903 8.3059 -25.7244 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5222 8.6820 -26.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6502 8.0147 -27.8764 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9912 13.2574 -22.6531 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3455 15.0740 -25.3679 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5275 14.8788 -23.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4132 14.0182 -24.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0725 14.5656 -23.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1833 13.3655 -24.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1463 12.2219 -23.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4050 12.7510 -23.6992 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0723 11.2538 -24.9058 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9805 11.1361 -25.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5434 10.1449 -26.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3848 9.6535 -26.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0765 10.3602 -25.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9504 10.1016 -24.3386 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1416 9.1217 -24.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4229 8.4179 -25.8893 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5193 8.6623 -26.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8297 7.9341 -27.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7712 13.3472 -25.3813 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6867 15.6738 -24.5088 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5549 14.7400 -24.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0635 14.5544 -24.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7415 14.1214 -23.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6446 13.1077 -23.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5516 12.9343 -25.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5688 13.6407 -25.6463 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7770 11.5170 -25.3761 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9979 10.9579 -25.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8429 9.6494 -25.7652 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5325 9.3860 -25.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8724 10.5599 -25.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5364 10.5819 -25.6513 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8329 9.4720 -25.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4843 8.3131 -26.1631 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8056 8.2550 -26.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5228 7.0643 -26.3849 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4630 13.5491 -23.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3344 15.2039 -22.6156 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3029 15.3011 -24.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4014 14.1912 -23.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9518 14.5717 -23.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2651 13.2699 -24.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4080 12.2998 -24.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4600 13.0785 -24.6402 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2472 11.1448 -24.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2747 10.5159 -25.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7850 9.4778 -26.2256 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4619 9.4234 -26.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1237 10.4862 -25.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8436 10.6592 -24.9601 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9044 9.8103 -25.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2351 8.7738 -26.2603 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5239 8.5551 -26.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9285 7.4784 -27.4402 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3112 12.9623 -23.2159 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6987 15.6085 -24.5939 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3297 13.3057 -22.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8970 13.7216 -23.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8763 14.3850 -24.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4222 14.1059 -25.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1993 12.7776 -24.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0316 12.6631 -23.3252 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3710 11.6904 -25.3641 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9521 11.7300 -26.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9071 10.5043 -27.1556 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2969 9.6682 -26.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9670 10.4159 -25.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3329 9.7751 -24.2121 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0351 8.4658 -24.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3687 7.7415 -25.4069 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0044 8.3269 -26.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3299 7.5299 -27.5658 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6583 15.0728 -24.3877 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1474 15.7284 -24.6113 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -10.9726 14.5214 -22.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1791 13.5944 -23.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9458 14.3731 -24.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2547 13.6096 -24.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8881 12.2700 -24.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9151 12.5026 -23.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3614 11.3751 -25.4306 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5982 11.3336 -26.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8970 10.3331 -27.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2054 9.7353 -26.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4904 10.3798 -25.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8852 9.9204 -24.0585 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0268 8.8676 -24.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7641 8.2524 -25.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3312 8.6557 -26.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0610 8.0148 -27.6531 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.1943 14.1697 -24.0469 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1567 15.6993 -24.4919 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.4222 14.1783 -21.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7777 14.1720 -23.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6870 14.7746 -24.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5699 13.7701 -25.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2641 13.0707 -25.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4724 12.8833 -23.6652 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1559 11.8321 -25.7485 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1889 11.7605 -27.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0661 10.4790 -27.4903 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9538 9.7278 -26.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0106 10.5786 -25.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9193 10.0660 -24.0686 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7755 8.7369 -23.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7190 7.8987 -24.9869 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8062 8.3643 -26.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7506 7.5101 -27.3899 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6088 12.8603 -25.2683 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9790 14.9448 -23.8458 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.5707 15.3934 -24.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5259 14.0621 -23.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2250 13.8820 -23.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3603 13.1690 -24.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.3251 12.7657 -25.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.6115 12.9857 -24.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1806 11.4244 -25.5976 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1784 10.7570 -26.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7717 9.5290 -26.5421 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5081 9.3672 -26.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1489 10.5812 -25.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9218 10.7082 -25.0824 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9930 9.7455 -25.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3265 8.5746 -25.7027 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5536 8.3854 -26.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8709 7.1449 -26.8011 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4036 14.0470 -24.5795 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6516 15.0858 -22.6308 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -13.0963 13.2797 -21.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1359 13.8437 -22.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8119 14.7340 -23.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7724 13.8618 -25.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4828 12.5223 -24.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5353 12.8050 -23.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9533 11.5773 -25.6231 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8519 11.6402 -26.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2880 10.5221 -27.4429 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0187 9.7140 -26.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4434 10.3911 -25.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2785 9.7772 -24.0466 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7309 8.5652 -23.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3308 7.9323 -25.0354 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4546 8.4626 -26.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0187 7.7622 -27.4117 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8117 14.3094 -26.1485 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1118 15.9080 -24.1818 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3799 15.1487 -24.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3504 14.0847 -24.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0530 14.5586 -23.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1685 13.3658 -24.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6986 13.0315 -25.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8799 13.7064 -25.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8790 11.6187 -25.5707 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0464 10.9502 -25.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.8159 9.6335 -25.7472 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5083 9.4301 -25.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9122 10.6711 -25.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.5817 10.8014 -25.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8016 9.7179 -25.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.3842 8.5118 -26.0308 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.7127 8.3133 -25.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2982 7.0048 -26.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4575 12.3606 -23.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1992 14.6989 -22.3298 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.5509 14.8020 -23.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2324 14.1094 -23.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4007 14.7171 -24.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3503 13.6128 -24.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0796 12.4028 -24.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3868 12.8003 -23.9579 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0406 11.2850 -25.1508 N 0 0 0 0 0 0 0 0 0 0 0 0 - -12.9664 10.9687 -26.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5861 9.8709 -26.7552 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4037 9.4450 -26.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0788 10.3406 -25.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9363 10.1739 -24.5721 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1457 9.1404 -24.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4386 8.2664 -25.8405 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5606 8.3966 -26.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8672 7.4693 -27.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3248 13.9346 -23.8577 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7775 15.8723 -24.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.2941 15.6723 -22.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8766 14.3191 -23.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2969 14.3374 -23.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4441 12.8867 -24.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0261 12.4190 -24.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2315 13.5879 -24.2055 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6986 11.5253 -25.2588 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9131 11.7169 -26.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4672 10.6500 -27.2604 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9685 9.7783 -26.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1012 10.3055 -25.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6709 9.6149 -24.0391 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.1098 8.4091 -24.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.9866 7.9090 -25.4448 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3915 8.5373 -26.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.2123 7.9151 -27.8273 N 0 0 0 0 0 0 0 0 0 0 0 0 - -14.0908 12.7940 -25.3851 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3473 15.2303 -24.7529 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.7529 13.6182 -21.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7011 13.6065 -22.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2706 14.7224 -23.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5997 13.9139 -24.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5212 12.6888 -24.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6377 12.4309 -23.6358 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9488 11.6074 -25.7293 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8065 11.6325 -27.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2409 10.4732 -27.4576 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0332 9.7343 -26.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4803 10.4449 -25.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3798 9.9079 -24.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8418 8.6794 -23.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4048 7.9816 -24.9897 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4834 8.4757 -26.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0292 7.7560 -27.3795 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.6350 14.5730 -26.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3601 15.3614 -24.4652 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.3794 14.9750 -23.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2432 13.9789 -23.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9597 14.6305 -23.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4217 13.5826 -24.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2414 12.3789 -24.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4940 12.9202 -24.1535 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1776 11.3030 -25.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.0191 10.9551 -26.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5539 9.8627 -26.8710 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4028 9.4864 -26.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1680 10.3894 -25.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0760 10.2638 -24.5299 N 0 0 0 0 0 0 0 0 0 0 0 0 - -9.1732 9.2841 -24.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.4075 8.4056 -25.7024 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4867 8.4722 -26.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.6834 7.5283 -27.5231 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.0627 13.3604 -24.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1768 15.8309 -24.4037 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -12.0769 15.8378 -25.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.5641 14.6794 -24.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.6069 14.3287 -23.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7346 12.8226 -23.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.4043 12.7580 -25.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2883 13.5561 -25.1607 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2016 11.4170 -25.5513 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2050 10.6802 -26.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7401 9.4646 -26.4371 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4524 9.4355 -26.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1007 10.6478 -25.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8659 10.8710 -25.1115 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.9647 9.8622 -25.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2847 8.6724 -25.7807 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5216 8.4026 -26.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9097 7.1716 -26.7964 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.9950 12.3568 -23.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.2103 14.6436 -22.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -14.4684 14.8238 -23.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.2884 14.4770 -24.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9970 14.4526 -23.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2713 13.2294 -24.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1847 12.8794 -25.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 - -13.4436 13.1482 -24.6698 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0994 11.4944 -25.6128 N 0 0 0 0 0 0 0 0 0 0 0 0 - -13.1534 10.7699 -26.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.7652 9.5217 -26.3076 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4541 9.4451 -26.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0352 10.6775 -25.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.7413 10.8746 -25.3259 N 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8738 9.8482 -25.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.2552 8.6223 -25.8738 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5403 8.3857 -26.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.0129 7.1239 -26.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2487 12.2141 -23.1168 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.2942 15.6203 -23.8367 O 0 0 0 0 0 0 0 0 0 0 0 0 - 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chiLife 1.2.0dev1 + chiLife 1.2.2 30 32 0 0 0 0 0 0 0 0999 V2000 - -11.7559 14.2795 -21.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5167 13.6913 -23.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5945 14.7597 -24.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5118 13.9350 -25.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 - -12.5487 12.5259 -24.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.8551 12.6352 -23.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9466 11.5696 -25.6971 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7358 11.6547 -27.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.1417 10.5241 -27.4322 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.9553 9.6807 -26.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4767 10.3750 -25.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 - -11.4129 9.7406 -24.0978 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8728 8.5153 -23.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.3648 7.8381 -25.0464 N 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4092 8.4290 -26.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.8886 7.7540 -27.3666 N 0 0 0 0 0 0 0 0 0 0 0 0 - -11.3359 14.2516 -25.9903 O 0 0 0 0 0 0 0 0 0 0 0 0 - -13.8039 15.4487 -23.9961 O 0 0 0 0 0 0 0 0 0 0 0 0 - -12.1866 15.2906 -21.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 - -12.0152 13.6437 -20.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5625 13.4488 -22.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.7634 15.4919 -24.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.3433 14.1464 -26.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 - -13.5858 12.2602 -24.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 - -11.9954 12.4968 -27.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.8166 7.9951 -23.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4580 7.3334 -28.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 - -8.8512 7.6678 -27.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 - -10.5879 14.4425 -25.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 - -14.3807 15.1926 -24.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.7559 14.2795 -21.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.5167 13.6913 -23.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.5945 14.7597 -24.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.5118 13.9350 -25.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 + -12.5487 12.5259 -24.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.8551 12.6352 -23.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9466 11.5696 -25.6971 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.7358 11.6547 -27.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.1417 10.5241 -27.4322 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.9553 9.6807 -26.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.4767 10.3750 -25.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 + -11.4129 9.7406 -24.0978 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.8728 8.5153 -23.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 + -10.3648 7.8381 -25.0464 N 0 0 0 0 0 0 0 0 0 0 0 0 + -10.4092 8.4290 -26.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 + -9.8886 7.7540 -27.3666 N 0 0 0 0 0 0 0 0 0 0 0 0 + -11.3359 14.2516 -25.9903 O 0 0 0 0 0 0 0 0 0 0 0 0 + -13.8039 15.4487 -23.9961 O 0 0 0 0 0 0 0 0 0 0 0 0 + -12.1866 15.2906 -21.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 + -12.0152 13.6437 -20.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.5625 13.4488 -22.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.7634 15.4919 -24.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.3433 14.1464 -26.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 + -13.5858 12.2602 -24.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 + -11.9954 12.4968 -27.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.8166 7.9951 -23.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.4580 7.3334 -28.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 + -8.8512 7.6678 -27.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 + -10.5879 14.4425 -25.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 + -14.3807 15.1926 -24.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 diff --git a/tests/test_io.py b/tests/test_io.py index fe96178..2164d8a 100644 --- a/tests/test_io.py +++ b/tests/test_io.py @@ -253,11 +253,13 @@ def test_write_sdf(): xl.write_sdf(data, "temp.sdf") with open(file_name, "r") as f: - ans = "".join([line for line in f.readlines() if "RDKit" not in line]) + ans = "".join([line.rstrip() for line in f.readlines() if "RDKit" not in line]) ans = hashlib.md5(ans.encode("utf8")).hexdigest() with open("temp.sdf", "r") as f: - test = "".join([line for line in f.readlines() if "chiLife" not in line]) + test = "".join( + [line.rstrip() for line in f.readlines() if "chiLife" not in line] + ) test = hashlib.md5(test.encode("utf8")).hexdigest() os.remove("temp.sdf")