diff --git a/modules/core/dependency/python-ihm/ChangeLog.rst b/modules/core/dependency/python-ihm/ChangeLog.rst index bfa176d0ec..bc7d8719b8 100644 --- a/modules/core/dependency/python-ihm/ChangeLog.rst +++ b/modules/core/dependency/python-ihm/ChangeLog.rst @@ -1,3 +1,18 @@ +1.3 - 2024-07-16 +================ + - The new class :class:`ihm.location.ProteomeXchangeLocation` can be used + for datasets stored in the ProteomeXchange database. + - Support is added for changes in the IHMCIF dictionary, specifically + the renaming of "CX-MS data" to "Crosslinking-MS data" and the + ``_ihm_ordered_ensemble`` category to ``_ihm_ordered_model``. python-ihm + will output the new names, but for backwards compatibility will read both + old and new names. + - :class:`ihm.protocol.Protocol` can now be given additional text to + describe the protocol. + - :class:`ihm.model.Atom` now takes an ``alt_id`` argument to support + alternate conformations (#146). + - Support added for NumPy 2.0. + 1.2 - 2024-06-12 ================ - :class:`ihm.format.CifTokenReader` allows for reading an mmCIF file diff --git a/modules/core/dependency/python-ihm/MANIFEST.in b/modules/core/dependency/python-ihm/MANIFEST.in index 34c8f187e0..4249e44b93 100644 --- a/modules/core/dependency/python-ihm/MANIFEST.in +++ b/modules/core/dependency/python-ihm/MANIFEST.in @@ -4,4 +4,4 @@ include examples/* include util/make-mmcif.py include src/ihm_format.h include src/ihm_format.i -include src/ihm_format_wrap_1.2.c +include src/ihm_format_wrap_1.3.c diff --git a/modules/core/dependency/python-ihm/docs/location.rst b/modules/core/dependency/python-ihm/docs/location.rst index c1f552510e..c58bc4e2e2 100644 --- a/modules/core/dependency/python-ihm/docs/location.rst +++ b/modules/core/dependency/python-ihm/docs/location.rst @@ -55,6 +55,9 @@ The :mod:`ihm.location` Python module .. autoclass:: AlphaFoldDBLocation :members: +.. autoclass:: ProteomeXchangeLocation + :members: + .. autoclass:: FileLocation :members: diff --git a/modules/core/dependency/python-ihm/ihm/__init__.py b/modules/core/dependency/python-ihm/ihm/__init__.py index cae8866076..fcb00d687c 100644 --- a/modules/core/dependency/python-ihm/ihm/__init__.py +++ b/modules/core/dependency/python-ihm/ihm/__init__.py @@ -20,7 +20,7 @@ import json from . import util -__version__ = '1.2' +__version__ = '1.3' class __UnknownValue(object): @@ -795,11 +795,13 @@ def __init__(self, pmid, title, journal, volume, page_range, year, authors, self.is_primary = is_primary @classmethod - def from_pubmed_id(cls, pubmed_id): + def from_pubmed_id(cls, pubmed_id, is_primary=False): """Create a Citation from just a PubMed ID. This is done by querying NCBI's web API, so requires network access. :param int pubmed_id: The PubMed identifier. + :param bool is_primary: Denotes the most pertinent publication for + the modeling itself; see :class:`Citation` for more info. :return: A new Citation for the given identifier. :rtype: :class:`Citation` """ @@ -851,7 +853,8 @@ def auth_sub(m): volume=enc(ref['volume']) or None, page_range=get_page_range(ref), year=enc(ref['pubdate']).split()[0], - authors=authors, doi=get_doi(ref)) + authors=authors, doi=get_doi(ref), + is_primary=is_primary) class ChemComp(object): diff --git a/modules/core/dependency/python-ihm/ihm/dataset.py b/modules/core/dependency/python-ihm/ihm/dataset.py index 3352af4ee9..ac6652c178 100644 --- a/modules/core/dependency/python-ihm/ihm/dataset.py +++ b/modules/core/dependency/python-ihm/ihm/dataset.py @@ -104,7 +104,7 @@ def __init__(self, elements=(), name=None, application=None, details=None): class CXMSDataset(Dataset): """Processed cross-links from a CX-MS experiment""" - data_type = 'CX-MS data' + data_type = 'Crosslinking-MS data' class MassSpecDataset(Dataset): diff --git a/modules/core/dependency/python-ihm/ihm/dumper.py b/modules/core/dependency/python-ihm/ihm/dumper.py index 7b01b9ccf6..3782325d29 100644 --- a/modules/core/dependency/python-ihm/ihm/dumper.py +++ b/modules/core/dependency/python-ihm/ihm/dumper.py @@ -94,8 +94,8 @@ class _AuditConformDumper(Dumper): def dump(self, system, writer): with writer.category("_audit_conform") as lp: # Update to match the version of the IHM dictionary we support: - lp.write(dict_name="mmcif_ihm.dic", dict_version="1.25", - dict_location=self.URL % "460a278") + lp.write(dict_name="mmcif_ihm.dic", dict_version="1.26", + dict_location=self.URL % "1a0ec62") class _StructDumper(Dumper): @@ -422,11 +422,19 @@ def _prettyprint_seq(seq, width): class _StructRefDumper(Dumper): def finalize(self, system): - ref_id = itertools.count(1) + self._refs_by_id = {} align_id = itertools.count(1) for e in system.entities: for r in e.references: - r._id = next(ref_id) + util._remove_id(r) + + for e in system.entities: + seen_refs = {} + # Two refs are not considered duplicated if they relate to + # different entities, so keep list per entity + self._refs_by_id[id(e)] = by_id = [] + for r in e.references: + util._assign_id(r, seen_refs, by_id, seen_obj=r._signature()) for a in r._get_alignments(): a._id = next(align_id) @@ -513,7 +521,7 @@ def dump(self, system, writer): "pdbx_align_begin", "pdbx_seq_one_letter_code", "details"]) as lp: for e in system.entities: - for r in e.references: + for r in self._refs_by_id[id(e)]: self._check_reference_sequence(e, r) db_begin = min(a.db_begin for a in r._get_alignments()) lp.write(id=r._id, entity_id=e._id, db_name=r.db_name, @@ -526,7 +534,7 @@ def dump(self, system, writer): def dump_seq(self, system, writer): def _all_alignments(): for e in system.entities: - for r in e.references: + for r in self._refs_by_id[id(e)]: for a in r._get_alignments(): yield e, r, a with writer.loop( @@ -550,7 +558,7 @@ def dump_seq_dif(self, system, writer): ["pdbx_ordinal", "align_id", "seq_num", "db_mon_id", "mon_id", "details"]) as lp: for e in system.entities: - for r in e.references: + for r in self._refs_by_id[id(e)]: for a in r._get_alignments(): for sd in a.seq_dif: lp.write(pdbx_ordinal=next(ordinal), @@ -1282,11 +1290,18 @@ def _dump_template(self, template, sm, lp, ordinal): denom = template.sequence_identity.denominator if denom is not None and denom is not ihm.unknown: denom = int(denom) + # Add offset only if seq_id_range isn't . or ? + seq_id_begin = template.seq_id_range[0] + if isinstance(template.seq_id_range[0], int): + seq_id_begin += off + seq_id_end = template.seq_id_range[1] + if isinstance(template.seq_id_range[1], int): + seq_id_end += off lp.write(id=next(ordinal), starting_model_id=sm._id, starting_model_auth_asym_id=sm.asym_id, - starting_model_seq_id_begin=template.seq_id_range[0] + off, - starting_model_seq_id_end=template.seq_id_range[1] + off, + starting_model_seq_id_begin=seq_id_begin, + starting_model_seq_id_end=seq_id_end, template_auth_asym_id=template.asym_id, template_seq_id_begin=template.template_seq_id_range[0], template_seq_id_end=template.template_seq_id_range[1], @@ -1516,12 +1531,12 @@ def _check_duplicate_atom(self, atom): # e.g. multiple bulk water oxygen atoms can have "same" seq_id (None) if atom.seq_id is None: return - k = (atom.asym_unit._id, atom.atom_id, atom.seq_id) + k = (atom.asym_unit._id, atom.atom_id, atom.seq_id, atom.alt_id) if k in self._seen_atoms: raise ValueError( - "Multiple atoms with same atom_id (%s) and seq_id (%d) " - "found in asym ID %s" - % (atom.atom_id, atom.seq_id, atom.asym_unit._id)) + "Multiple atoms with same atom_id (%s), seq_id (%d) " + "and alt_id (%s) found in asym ID %s" + % (atom.atom_id, atom.seq_id, atom.alt_id, atom.asym_unit._id)) self._seen_atoms.add(k) def _check_assembly(self, obj, asym, seq_id_range): @@ -1868,7 +1883,7 @@ def finalize(self, system): edge._id = next(edge_id) def dump(self, system, writer): - with writer.loop("_ihm_ordered_ensemble", + with writer.loop("_ihm_ordered_model", ["process_id", "process_description", "ordered_by", "step_id", "step_description", "edge_id", "edge_description", @@ -2019,7 +2034,9 @@ def finalize(self, system): for f in system._all_features(): util._remove_id(f) for f in system._all_features(): - util._assign_id(f, seen_features, self._features_by_id) + util._assign_id(f, seen_features, self._features_by_id, + seen_obj=f._signature() + if hasattr(f, '_signature') else f) def dump(self, system, writer): self.dump_list(writer) @@ -2052,6 +2069,8 @@ def _get_asym_id(x): for f in self._features_by_id: if not isinstance(f, restraint.ResidueFeature): continue + if not f.ranges: + raise ValueError("%s selects no residues" % f) for r in f.ranges: entity = _get_entity(r) seq = entity.sequence @@ -2127,7 +2146,8 @@ def finalize(self, system): for f in system._all_pseudo_sites(): util._remove_id(f) for f in system._all_pseudo_sites(): - util._assign_id(f, seen_sites, self._sites_by_id) + util._assign_id(f, seen_sites, self._sites_by_id, + seen_obj=f._signature()) def dump(self, system, writer): with writer.loop("_ihm_pseudo_site", diff --git a/modules/core/dependency/python-ihm/ihm/format.py b/modules/core/dependency/python-ihm/ihm/format.py index a043011733..172b361ada 100644 --- a/modules/core/dependency/python-ihm/ihm/format.py +++ b/modules/core/dependency/python-ihm/ihm/format.py @@ -812,7 +812,7 @@ def read_file(self, filters=None): of the tokens is subject to change and is not currently documented; however, each token or group object has an ``as_mmcif`` method which returns the corresponding text in mmCIF format. Thus, the - file can be reconstructed by concatentating the result of + file can be reconstructed by concatenating the result of ``as_mmcif`` for all tokens. :exc:`CifParserError` will be raised if the file cannot be parsed. @@ -982,7 +982,7 @@ class CifReader(_Reader, _CifTokenizer): and ] characters, since these are not valid for Python identifiers). The object will be called with the data from the file as a set of strings, or `not_in_file`, `omitted` or - `unkonwn` for any keyword that is not present in the file, + `unknown` for any keyword that is not present in the file, the mmCIF omitted value (.), or mmCIF unknown value (?) respectively. (mmCIF keywords are case insensitive, so this class always treats them as lowercase regardless of the diff --git a/modules/core/dependency/python-ihm/ihm/location.py b/modules/core/dependency/python-ihm/ihm/location.py index 4a46eae611..9e70a5df37 100644 --- a/modules/core/dependency/python-ihm/ihm/location.py +++ b/modules/core/dependency/python-ihm/ihm/location.py @@ -182,6 +182,13 @@ class AlphaFoldDBLocation(DatabaseLocation): db_name = 'AlphaFoldDB' +class ProteomeXchangeLocation(DatabaseLocation): + """Something stored in the ProteomeXchange database. + See :class:`DatabaseLocation` for a description of the parameters + and :class:`Location` for discussion of the usage of these objects.""" + db_name = 'ProteomeXchange' + + class FileLocation(Location): """Base class for an individual file or directory stored externally. diff --git a/modules/core/dependency/python-ihm/ihm/metadata.py b/modules/core/dependency/python-ihm/ihm/metadata.py index 295bc2c249..de778503bb 100644 --- a/modules/core/dependency/python-ihm/ihm/metadata.py +++ b/modules/core/dependency/python-ihm/ihm/metadata.py @@ -707,16 +707,198 @@ def __call__(self, name, template_begin, template_end, target_begin, self.m['modeller_templates'].append(t) +class _ModelCifAlignment(object): + """Store alignment information from a ModelCIF file""" + + def __init__(self): + self.target = self.template = self.seq_id = None + + def get_template_object(self, target_dataset): + """Convert the alignment information into an IHM Template object""" + return self.template.template.get_template_object(target_dataset, + aln=self) + + +class _TemplateRange(object): + """Store information about a template residue range from a ModelCIF file""" + def __init__(self): + self.seq_id_range = None + self.template = None + + +class _TargetRange(object): + """Store information about a target residue range from a ModelCIF file""" + def __init__(self): + self.seq_id_range = None + self.asym_id = None + + +class _Template(object): + """Store template information from a ModelCIF file""" + + # Map ModelCIF ma_template_ref_db_details.db_name to IHMCIF equivalents + _modelcif_dbmap = {'PDB': (dataset.PDBDataset, location.PDBLocation), + 'PDB-DEV': (dataset.IntegrativeModelDataset, + location.PDBDevLocation), + 'MA': (dataset.DeNovoModelDataset, + location.ModelArchiveLocation), + 'ALPHAFOLDDB': (dataset.DeNovoModelDataset, + location.AlphaFoldDBLocation)} + + def __init__(self): + self.auth_asym_id = self.db_name = self.db_accession_code = None + self.db_version_date = self.target_asym_id = None + + def get_template_object(self, target_dataset, aln=None): + """Convert the template information into an IHM Template object""" + dsetcls, loccls = self._modelcif_dbmap.get( + self.db_name.upper(), + (dataset.Dataset, location.DatabaseLocation)) + loc = loccls(db_code=self.db_accession_code, + version=self.db_version_date) + d = dsetcls(location=loc) + # Make the computed model dataset derive from the template's + target_dataset.parents.append(d) + + t = startmodel.Template( + dataset=d, asym_id=self.auth_asym_id, + seq_id_range=aln.target.seq_id_range if aln else (None, None), + template_seq_id_range=aln.template.seq_id_range + if aln else (None, None), + sequence_identity=aln.seq_id if aln else None) + return aln.target.asym_id if aln else self.target_asym_id, t + + +class _SystemReader(object): + """A minimal implementation, so we can use some of the Handlers + in ihm.reader but get outputs in the results dict.""" + def __init__(self, m): + self.software = ihm.reader.IDMapper(m['software'], ihm.Software, + *(None,) * 4) + self.citations = ihm.reader.IDMapper(None, ihm.Citation, *(None,) * 8) + self.alignments = ihm.reader.IDMapper(m['alignments'], + _ModelCifAlignment) + self.template_ranges = ihm.reader.IDMapper(None, _TemplateRange) + self.target_ranges = ihm.reader.IDMapper(None, _TargetRange) + self.templates = ihm.reader.IDMapper(m['templates'], _Template) + + +class _TemplateDetailsHandler(ihm.reader.Handler): + """Extract template information from a ModelCIF file""" + def __init__(self, sysr): + self.sysr = sysr + + def __call__(self, template_id, target_asym_id, template_auth_asym_id): + template = self.sysr.templates.get_by_id(template_id) + template.auth_asym_id = template_auth_asym_id + template.target_asym_id = target_asym_id + + +class _TemplateRefDBDetailsHandler(ihm.reader.Handler): + """Extract template database information from a ModelCIF file""" + def __init__(self, sysr): + self.sysr = sysr + + def __call__(self, template_id, db_name, db_accession_code, + db_version_date): + template = self.sysr.templates.get_by_id(template_id) + template.db_name = db_name + template.db_accession_code = db_accession_code + template.db_version_date = db_version_date + + +class _TemplatePolySegmentHandler(ihm.reader.Handler): + """Extract template residue range information from a ModelCIF file""" + def __init__(self, sysr): + self.sysr = sysr + + def __call__(self, id, template_id, residue_number_begin, + residue_number_end): + tr = self.sysr.template_ranges.get_by_id(id) + tr.seq_id_range = (self.get_int(residue_number_begin), + self.get_int(residue_number_end)) + tr.template = self.sysr.templates.get_by_id(template_id) + + +class _TemplatePolyMappingHandler(ihm.reader.Handler): + """Extract target residue range information from a ModelCIF file""" + def __init__(self, sysr): + self.sysr = sysr + + def __call__(self, id, template_segment_id, target_asym_id, + target_seq_id_begin, target_seq_id_end): + m = self.sysr.target_ranges.get_by_id((template_segment_id, + target_asym_id)) + m.seq_id_range = (self.get_int(target_seq_id_begin), + self.get_int(target_seq_id_end)) + + +class _SeqIDMapper(object): + """Map ModelCIF sequence identity to IHMCIF equivalent""" + + identity_map = { + "length of the shorter sequence": + SequenceIdentityDenominator.SHORTER_LENGTH, + "number of aligned positions (including gaps)": + SequenceIdentityDenominator.NUM_ALIGNED_WITH_GAPS} + + def __call__(self, pct_id, denom): + denom = self.identity_map.get( + denom.lower() if denom else None, + SequenceIdentityDenominator.OTHER) + return startmodel.SequenceIdentity( + value=pct_id, denominator=denom) + + +class _AlignmentDetailsHandler(ihm.reader.Handler): + """Read pairwise alignments (ma_alignment_details table)""" + + def __init__(self, sysr): + self.sysr = sysr + self.seq_id_mapper = _SeqIDMapper() + + def __call__(self, alignment_id, template_segment_id, target_asym_id, + percent_sequence_identity, sequence_identity_denominator): + aln = self.sysr.alignments.get_by_id(alignment_id) + aln.seq_id = self.seq_id_mapper( + self.get_float(percent_sequence_identity), + sequence_identity_denominator) + tgt_rng = self.sysr.target_ranges.get_by_id((template_segment_id, + target_asym_id)) + tmpl_rng = self.sysr.template_ranges.get_by_id(template_segment_id) + aln.target = tgt_rng + aln.target.asym_id = target_asym_id + aln.template = tmpl_rng + + +class _ModBaseLocation(location.DatabaseLocation): + """A model deposited in ModBase""" + def __init__(self, db_code, version=None, details=None): + # Use details to describe ModBase, ignoring the file title + super(_ModBaseLocation, self).__init__( + db_code, version=version, + details="ModBase database of comparative protein structure models") + + class CIFParser(Parser): - """Extract metadata from an mmCIF file. Currently, this does not handle - information from comparative modeling packages such as MODELLER - (see :class:`PDBParser`). + """Extract metadata (e.g. PDB ID, comparative modeling templates) + from an mmCIF file. This currently handles mmCIF files from the PDB + database itself, models compliant with the ModelCIF dictionary, + plus files from Model Archive or the outputs from the + MODELLER comparative modeling package. See also :class:`PDBParser` for coordinate files in legacy PDB format. """ + + # Map PDBx database_2.database_name to IHMCIF equivalents dbmap = {'PDB': (location.PDBLocation, dataset.PDBDataset), + 'PDB-DEV': (location.PDBDevLocation, + dataset.IntegrativeModelDataset), 'MODELARCHIVE': (location.ModelArchiveLocation, - dataset.DeNovoModelDataset)} + dataset.DeNovoModelDataset), + 'ALPHAFOLDDB': (location.AlphaFoldDBLocation, + dataset.DeNovoModelDataset), + 'MODBASE': (_ModBaseLocation, dataset.ComparativeModelDataset)} def parse_file(self, filename): """Extract metadata. See :meth:`Parser.parse_file` for details. @@ -737,7 +919,7 @@ def parse_file(self, filename): objects). """ m = {'db': {}, 'title': 'Starting model structure', - 'software': []} + 'software': [], 'templates': [], 'alignments': []} with open(filename) as fh: dbh = _Database2Handler(m) structh = _StructHandler(m) @@ -745,11 +927,24 @@ def parse_file(self, filename): exptlh = _ExptlHandler(m) modellerh = _ModellerHandler(m, filename) modtmplh = _ModellerTemplateHandler(m) + sysr = _SystemReader(m) r = ihm.format.CifReader( fh, {'_database_2': dbh, '_struct': structh, '_pdbx_audit_revision_history': arevhisth, '_exptl': exptlh, '_modeller': modellerh, - '_modeller_template': modtmplh}) + '_modeller_template': modtmplh, + '_software': ihm.reader._SoftwareHandler(sysr), + '_citation': ihm.reader._CitationHandler(sysr), + '_citation_author': + ihm.reader._CitationAuthorHandler(sysr), + '_ma_template_details': _TemplateDetailsHandler(sysr), + '_ma_template_ref_db_details': + _TemplateRefDBDetailsHandler(sysr), + '_ma_template_poly_segment': + _TemplatePolySegmentHandler(sysr), + '_ma_target_template_poly_mapping': + _TemplatePolyMappingHandler(sysr), + '_ma_alignment_details': _AlignmentDetailsHandler(sysr)}) r.read_file() dset = self._get_dataset(filename, m) return {'dataset': dset, 'software': m['software'], @@ -774,9 +969,25 @@ def _get_templates(self, filename, m, dset): alnfile = m['alnfile'] template_path_map = {} templates = {} - for t in m['modeller_templates']: - chain, template = _handle_modeller_template(t, template_path_map, - dset, alnfile) + + def _handle_templates(): + # Use Modeller-provided templates if available + if m['modeller_templates']: + for t in m['modeller_templates']: + yield _handle_modeller_template( + t, template_path_map, dset, alnfile) + # Otherwise, use ModelCIF templates + else: + seen_templates = set() + for aln in m['alignments']: + seen_templates.add(aln.template.template) + yield aln.get_template_object(dset) + # Handle any unaligned templates (e.g. AlphaFold) + for t in m['templates']: + if t not in seen_templates: + yield t.get_template_object(dset) + + for chain, template in _handle_templates(): if chain not in templates: templates[chain] = [] templates[chain].append(template) diff --git a/modules/core/dependency/python-ihm/ihm/reader.py b/modules/core/dependency/python-ihm/ihm/reader.py index 012059c9d7..2ce8b9e543 100644 --- a/modules/core/dependency/python-ihm/ihm/reader.py +++ b/modules/core/dependency/python-ihm/ihm/reader.py @@ -1495,6 +1495,8 @@ def __init__(self, *args): (x[1].data_type.lower(), x[1]) for x in inspect.getmembers(ihm.dataset, inspect.isclass) if issubclass(x[1], ihm.dataset.Dataset)) + # Map old 'CX-MS' data to new class + self.type_map['cx-ms data'] = ihm.dataset.CXMSDataset def __call__(self, data_type, id, details): typ = None if data_type is None else data_type.lower() @@ -1721,8 +1723,8 @@ def __call__(self, starting_model_id, template_dataset_list_id, dataset = self.sysr.datasets.get_by_id(template_dataset_list_id) aln = self.sysr.external_files.get_by_id_or_none(alignment_file_id) asym_id = template_auth_asym_id - seq_id_range = (int(starting_model_seq_id_begin), - int(starting_model_seq_id_end)) + seq_id_range = (self.get_int(starting_model_seq_id_begin), + self.get_int(starting_model_seq_id_end)) template_seq_id_range = (self.get_int(template_seq_id_begin), self.get_int(template_seq_id_end)) identity = ihm.startmodel.SequenceIdentity( @@ -2947,8 +2949,8 @@ def __call__(self, restraint_id, model_id, psi, sigma_1, sigma_2): sigma2=self.get_float(sigma_2)) -class _OrderedEnsembleHandler(Handler): - category = '_ihm_ordered_ensemble' +class _OrderedModelHandler(Handler): + category = '_ihm_ordered_model' def __call__(self, process_id, step_id, model_group_id_begin, model_group_id_end, edge_description, ordered_by, @@ -2973,6 +2975,12 @@ def __call__(self, process_id, step_id, model_group_id_begin, step, locals(), mapkeys={'step_description': 'description'}) +# Handle the old name for the ihm_ordered_model category. This is a separate +# object so relies on _OrderedModelHandler not storing any state. +class _OrderedEnsembleHandler(_OrderedModelHandler): + category = '_ihm_ordered_ensemble' + + class UnknownCategoryWarning(Warning): """Warning for unknown categories encountered in the file by :func:`read`""" @@ -3801,7 +3809,7 @@ class IHMVariant(Variant): _BranchDescriptorHandler, _BranchLinkHandler, _CrossLinkListHandler, _CrossLinkRestraintHandler, _CrossLinkPseudoSiteHandler, _CrossLinkResultHandler, _StartingModelSeqDifHandler, - _OrderedEnsembleHandler, + _OrderedModelHandler, _OrderedEnsembleHandler, _MultiStateSchemeHandler, _MultiStateSchemeConnectivityHandler, _KineticRateHandler, _RelaxationTimeHandler, _RelaxationTimeMultiStateSchemeHandler diff --git a/modules/core/dependency/python-ihm/ihm/reference.py b/modules/core/dependency/python-ihm/ihm/reference.py index 7843402535..6dcd23b771 100644 --- a/modules/core/dependency/python-ihm/ihm/reference.py +++ b/modules/core/dependency/python-ihm/ihm/reference.py @@ -62,6 +62,11 @@ def __init__(self, db_name, db_code, accession, sequence, details=None): #: alignment is assumed. self.alignments = [] + def _signature(self): + # Ignore "details" + return ((self.db_name, self.db_code, self.accession, self.sequence) + + tuple(a._signature() for a in self.alignments)) + def _get_alignments(self): if self.alignments: return self.alignments @@ -146,6 +151,11 @@ def __init__(self, db_begin=1, db_end=None, entity_begin=1, self.seq_dif = [] self.seq_dif.extend(seq_dif) + def _signature(self): + return ((self.db_begin, self.db_end, self.entity_begin, + self.entity_end) + + tuple(s._signature() for s in self.seq_dif)) + class SeqDif(object): """Annotate a sequence difference between a reference and entity sequence. @@ -163,3 +173,7 @@ class SeqDif(object): def __init__(self, seq_id, db_monomer, monomer, details=None): self.seq_id, self.db_monomer = seq_id, db_monomer self.monomer, self.details = monomer, details + + def _signature(self): + # Ignore "details" + return (self.seq_id, self.db_monomer, self.monomer) diff --git a/modules/core/dependency/python-ihm/ihm/restraint.py b/modules/core/dependency/python-ihm/ihm/restraint.py index 18c641f37a..9aa4c64b27 100644 --- a/modules/core/dependency/python-ihm/ihm/restraint.py +++ b/modules/core/dependency/python-ihm/ihm/restraint.py @@ -7,7 +7,7 @@ class PseudoSite(object): """Selection of a pseudo position in the system. Pseudo positions are typically used to reference a point or sphere - that is not explcitly represented, in a :class:`PseudoSiteFeature` + that is not explicitly represented, in a :class:`PseudoSiteFeature` or :class:`CrossLinkPseudoSite`. :param float x: Cartesian X coordinate of this site. @@ -22,6 +22,10 @@ def __init__(self, x, y, z, radius=None, description=None): self.radius = radius self.description = description + def _signature(self): + return tuple("%.3f" % v if v else None + for v in (self.x, self.y, self.z, self.radius)) + class Restraint(object): """Base class for all restraints. @@ -611,6 +615,9 @@ def __init__(self, ranges, details=None): self.ranges, self.details = ranges, details _ = self._get_entity_type() + def _signature(self): + return tuple(self.ranges) + def _all_entities_or_asyms(self): return self.ranges @@ -702,6 +709,9 @@ def __init__(self, site): def _get_entity_type(self): return 'other' + def _signature(self): + return self.site._signature() + class GeometricRestraint(Restraint): """A restraint between part of the system and some part of a diff --git a/modules/core/dependency/python-ihm/ihm/startmodel.py b/modules/core/dependency/python-ihm/ihm/startmodel.py index d59ab7956a..37a748712c 100644 --- a/modules/core/dependency/python-ihm/ihm/startmodel.py +++ b/modules/core/dependency/python-ihm/ihm/startmodel.py @@ -48,9 +48,10 @@ class Template(object): :param dataset: Pointer to where this template is stored. :type dataset: :class:`~ihm.dataset.Dataset` - :param str asym_id: The asymmetric unit (chain) to use from the template - dataset (not necessarily the same as the starting model's asym_id - or the ID of the asym_unit in the final IHM model). + :param str asym_id: The author-provided asymmetric unit (chain) to use + from the template dataset (not necessarily the same as the + starting model's asym_id or the ID of the asym_unit in the + final IHM model). :param tuple seq_id_range: The sequence range in the dataset that is modeled by this template. Note that this numbering may differ from the IHM numbering. See `offset` in :class:`StartingModel`. diff --git a/modules/core/dependency/python-ihm/setup.py b/modules/core/dependency/python-ihm/setup.py index 9fced178ac..b32e82becc 100755 --- a/modules/core/dependency/python-ihm/setup.py +++ b/modules/core/dependency/python-ihm/setup.py @@ -7,7 +7,7 @@ import sys import os -VERSION = "1.2" +VERSION = "1.3" copy_args = sys.argv[1:] diff --git a/modules/core/dependency/python-ihm/test/input/AF-O78126-F1-model_v4.cif b/modules/core/dependency/python-ihm/test/input/AF-O78126-F1-model_v4.cif new file mode 100644 index 0000000000..ca102f929a --- /dev/null +++ b/modules/core/dependency/python-ihm/test/input/AF-O78126-F1-model_v4.cif @@ -0,0 +1,4454 @@ +data_AF-O78126-F1 +# +_entry.id AF-O78126-F1 +# +loop_ +_atom_type.symbol +C +N +O +S +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +"Jumper, John" 1 +"Evans, Richard" 2 +"Pritzel, Alexander" 3 +"Green, Tim" 4 +"Figurnov, Michael" 5 +"Ronneberger, Olaf" 6 +"Tunyasuvunakool, Kathryn" 7 +"Bates, Russ" 8 +"Zidek, Augustin" 9 +"Potapenko, Anna" 10 +"Bridgland, Alex" 11 +"Meyer, Clemens" 12 +"Kohl, Simon A. A." 13 +"Ballard, Andrew J." 14 +"Cowie, Andrew" 15 +"Romera-Paredes, Bernardino" 16 +"Nikolov, Stanislav" 17 +"Jain, Rishub" 18 +"Adler, Jonas" 19 +"Back, Trevor" 20 +"Petersen, Stig" 21 +"Reiman, David" 22 +"Clancy, Ellen" 23 +"Zielinski, Michal" 24 +"Steinegger, Martin" 25 +"Pacholska, Michalina" 26 +"Berghammer, Tamas" 27 +"Silver, David" 28 +"Vinyals, Oriol" 29 +"Senior, Andrew W." 30 +"Kavukcuoglu, Koray" 31 +"Kohli, Pushmeet" 32 +"Hassabis, Demis" 33 +# +_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic +_audit_conform.dict_name mmcif_ma.dic +_audit_conform.dict_version 1.3.9 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.type +"C3 H7 N O2" 89.093 ALA y ALANINE ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE ? "L-PEPTIDE LINKING" +"C4 H8 N2 O3" 132.118 ASN y ASPARAGINE ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" ? "L-PEPTIDE LINKING" +"C3 H7 N O2 S" 121.158 CYS y CYSTEINE ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE ? "PEPTIDE LINKING" +"C6 H10 N3 O2" 156.162 HIS y HISTIDINE ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE ? "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE ? "L-PEPTIDE LINKING" +"C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE ? "L-PEPTIDE LINKING" +# +_citation.book_publisher ? +_citation.country UK +_citation.id primary +_citation.journal_full Nature +_citation.journal_id_ASTM NATUAS +_citation.journal_id_CSD 0006 +_citation.journal_id_ISSN 0028-0836 +_citation.journal_volume 596 +_citation.page_first 583 +_citation.page_last 589 +_citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 +_citation.pdbx_database_id_PubMed 34265844 +_citation.title "Highly accurate protein structure prediction with AlphaFold" +_citation.year 2021 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +1 "Jumper, John" 1 +1 "Evans, Richard" 2 +1 "Pritzel, Alexander" 3 +1 "Green, Tim" 4 +1 "Figurnov, Michael" 5 +1 "Ronneberger, Olaf" 6 +1 "Tunyasuvunakool, Kathryn" 7 +1 "Bates, Russ" 8 +1 "Zidek, Augustin" 9 +1 "Potapenko, Anna" 10 +1 "Bridgland, Alex" 11 +1 "Meyer, Clemens" 12 +1 "Kohl, Simon A. A." 13 +1 "Ballard, Andrew J." 14 +1 "Cowie, Andrew" 15 +1 "Romera-Paredes, Bernardino" 16 +1 "Nikolov, Stanislav" 17 +1 "Jain, Rishub" 18 +1 "Adler, Jonas" 19 +1 "Back, Trevor" 20 +1 "Petersen, Stig" 21 +1 "Reiman, David" 22 +1 "Clancy, Ellen" 23 +1 "Zielinski, Michal" 24 +1 "Steinegger, Martin" 25 +1 "Pacholska, Michalina" 26 +1 "Berghammer, Tamas" 27 +1 "Silver, David" 28 +1 "Vinyals, Oriol" 29 +1 "Senior, Andrew W." 30 +1 "Kavukcuoglu, Koray" 31 +1 "Kohli, Pushmeet" 32 +1 "Hassabis, Demis" 33 +# +_database_2.database_code AF-O78126-F1 +_database_2.database_id AlphaFoldDB +# +_entity.details ? +_entity.formula_weight ? +_entity.id 1 +_entity.pdbx_description "MHC class I HLA-A" +_entity.pdbx_ec ? +_entity.pdbx_fragment ? +_entity.pdbx_mutation ? +_entity.pdbx_number_of_molecules 1 +_entity.src_method man +_entity.type polymer +# +_entity_poly.entity_id 1 +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;MAPRTLVLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEY +WDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMA +AQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQR +DGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEPSSQPTIPIVGIIAGLVLFGAVIT +GAVVAAVMWRRKSSDRKGGSYSQAASSDSAQGSDVSLTACKV +; +_entity_poly.pdbx_seq_one_letter_code_can +;MAPRTLVLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEY +WDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMA +AQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQR +DGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEPSSQPTIPIVGIIAGLVLFGAVIT +GAVVAAVMWRRKSSDRKGGSYSQAASSDSAQGSDVSLTACKV +; +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +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 ALA 2 +1 n PRO 3 +1 n ARG 4 +1 n THR 5 +1 n LEU 6 +1 n VAL 7 +1 n LEU 8 +1 n LEU 9 +1 n LEU 10 +1 n SER 11 +1 n GLY 12 +1 n ALA 13 +1 n LEU 14 +1 n ALA 15 +1 n LEU 16 +1 n THR 17 +1 n GLN 18 +1 n THR 19 +1 n TRP 20 +1 n ALA 21 +1 n GLY 22 +1 n SER 23 +1 n HIS 24 +1 n SER 25 +1 n MET 26 +1 n ARG 27 +1 n TYR 28 +1 n PHE 29 +1 n PHE 30 +1 n THR 31 +1 n SER 32 +1 n VAL 33 +1 n SER 34 +1 n ARG 35 +1 n PRO 36 +1 n GLY 37 +1 n ARG 38 +1 n GLY 39 +1 n GLU 40 +1 n PRO 41 +1 n ARG 42 +1 n PHE 43 +1 n ILE 44 +1 n ALA 45 +1 n VAL 46 +1 n GLY 47 +1 n TYR 48 +1 n VAL 49 +1 n ASP 50 +1 n ASP 51 +1 n THR 52 +1 n GLN 53 +1 n PHE 54 +1 n VAL 55 +1 n ARG 56 +1 n PHE 57 +1 n ASP 58 +1 n SER 59 +1 n ASP 60 +1 n ALA 61 +1 n ALA 62 +1 n SER 63 +1 n GLN 64 +1 n ARG 65 +1 n MET 66 +1 n GLU 67 +1 n PRO 68 +1 n ARG 69 +1 n ALA 70 +1 n PRO 71 +1 n TRP 72 +1 n ILE 73 +1 n GLU 74 +1 n GLN 75 +1 n GLU 76 +1 n GLY 77 +1 n PRO 78 +1 n GLU 79 +1 n TYR 80 +1 n TRP 81 +1 n ASP 82 +1 n GLY 83 +1 n GLU 84 +1 n THR 85 +1 n ARG 86 +1 n LYS 87 +1 n VAL 88 +1 n LYS 89 +1 n ALA 90 +1 n HIS 91 +1 n SER 92 +1 n GLN 93 +1 n THR 94 +1 n HIS 95 +1 n ARG 96 +1 n VAL 97 +1 n ASP 98 +1 n LEU 99 +1 n GLY 100 +1 n THR 101 +1 n LEU 102 +1 n ARG 103 +1 n GLY 104 +1 n TYR 105 +1 n TYR 106 +1 n ASN 107 +1 n GLN 108 +1 n SER 109 +1 n GLU 110 +1 n ALA 111 +1 n GLY 112 +1 n SER 113 +1 n HIS 114 +1 n THR 115 +1 n VAL 116 +1 n GLN 117 +1 n ARG 118 +1 n MET 119 +1 n TYR 120 +1 n GLY 121 +1 n CYS 122 +1 n ASP 123 +1 n VAL 124 +1 n GLY 125 +1 n SER 126 +1 n ASP 127 +1 n TRP 128 +1 n ARG 129 +1 n PHE 130 +1 n LEU 131 +1 n ARG 132 +1 n GLY 133 +1 n TYR 134 +1 n HIS 135 +1 n GLN 136 +1 n TYR 137 +1 n ALA 138 +1 n TYR 139 +1 n ASP 140 +1 n GLY 141 +1 n LYS 142 +1 n ASP 143 +1 n TYR 144 +1 n ILE 145 +1 n ALA 146 +1 n LEU 147 +1 n LYS 148 +1 n GLU 149 +1 n ASP 150 +1 n LEU 151 +1 n ARG 152 +1 n SER 153 +1 n TRP 154 +1 n THR 155 +1 n ALA 156 +1 n ALA 157 +1 n ASP 158 +1 n MET 159 +1 n ALA 160 +1 n ALA 161 +1 n GLN 162 +1 n THR 163 +1 n THR 164 +1 n LYS 165 +1 n HIS 166 +1 n LYS 167 +1 n TRP 168 +1 n GLU 169 +1 n ALA 170 +1 n ALA 171 +1 n HIS 172 +1 n VAL 173 +1 n ALA 174 +1 n GLU 175 +1 n GLN 176 +1 n LEU 177 +1 n ARG 178 +1 n ALA 179 +1 n TYR 180 +1 n LEU 181 +1 n GLU 182 +1 n GLY 183 +1 n THR 184 +1 n CYS 185 +1 n VAL 186 +1 n GLU 187 +1 n TRP 188 +1 n LEU 189 +1 n ARG 190 +1 n ARG 191 +1 n TYR 192 +1 n LEU 193 +1 n GLU 194 +1 n ASN 195 +1 n GLY 196 +1 n LYS 197 +1 n GLU 198 +1 n THR 199 +1 n LEU 200 +1 n GLN 201 +1 n ARG 202 +1 n THR 203 +1 n ASP 204 +1 n ALA 205 +1 n PRO 206 +1 n LYS 207 +1 n THR 208 +1 n HIS 209 +1 n MET 210 +1 n THR 211 +1 n HIS 212 +1 n HIS 213 +1 n ALA 214 +1 n VAL 215 +1 n SER 216 +1 n ASP 217 +1 n HIS 218 +1 n GLU 219 +1 n ALA 220 +1 n THR 221 +1 n LEU 222 +1 n ARG 223 +1 n CYS 224 +1 n TRP 225 +1 n ALA 226 +1 n LEU 227 +1 n SER 228 +1 n PHE 229 +1 n TYR 230 +1 n PRO 231 +1 n ALA 232 +1 n GLU 233 +1 n ILE 234 +1 n THR 235 +1 n LEU 236 +1 n THR 237 +1 n TRP 238 +1 n GLN 239 +1 n ARG 240 +1 n ASP 241 +1 n GLY 242 +1 n GLU 243 +1 n ASP 244 +1 n GLN 245 +1 n THR 246 +1 n GLN 247 +1 n ASP 248 +1 n THR 249 +1 n GLU 250 +1 n LEU 251 +1 n VAL 252 +1 n GLU 253 +1 n THR 254 +1 n ARG 255 +1 n PRO 256 +1 n ALA 257 +1 n GLY 258 +1 n ASP 259 +1 n GLY 260 +1 n THR 261 +1 n PHE 262 +1 n GLN 263 +1 n LYS 264 +1 n TRP 265 +1 n ALA 266 +1 n ALA 267 +1 n VAL 268 +1 n VAL 269 +1 n VAL 270 +1 n PRO 271 +1 n SER 272 +1 n GLY 273 +1 n GLN 274 +1 n GLU 275 +1 n GLN 276 +1 n ARG 277 +1 n TYR 278 +1 n THR 279 +1 n CYS 280 +1 n HIS 281 +1 n VAL 282 +1 n GLN 283 +1 n HIS 284 +1 n GLU 285 +1 n GLY 286 +1 n LEU 287 +1 n PRO 288 +1 n LYS 289 +1 n PRO 290 +1 n LEU 291 +1 n THR 292 +1 n LEU 293 +1 n ARG 294 +1 n TRP 295 +1 n GLU 296 +1 n PRO 297 +1 n SER 298 +1 n SER 299 +1 n GLN 300 +1 n PRO 301 +1 n THR 302 +1 n ILE 303 +1 n PRO 304 +1 n ILE 305 +1 n VAL 306 +1 n GLY 307 +1 n ILE 308 +1 n ILE 309 +1 n ALA 310 +1 n GLY 311 +1 n LEU 312 +1 n VAL 313 +1 n LEU 314 +1 n PHE 315 +1 n GLY 316 +1 n ALA 317 +1 n VAL 318 +1 n ILE 319 +1 n THR 320 +1 n GLY 321 +1 n ALA 322 +1 n VAL 323 +1 n VAL 324 +1 n ALA 325 +1 n ALA 326 +1 n VAL 327 +1 n MET 328 +1 n TRP 329 +1 n ARG 330 +1 n ARG 331 +1 n LYS 332 +1 n SER 333 +1 n SER 334 +1 n ASP 335 +1 n ARG 336 +1 n LYS 337 +1 n GLY 338 +1 n GLY 339 +1 n SER 340 +1 n TYR 341 +1 n SER 342 +1 n GLN 343 +1 n ALA 344 +1 n ALA 345 +1 n SER 346 +1 n SER 347 +1 n ASP 348 +1 n SER 349 +1 n ALA 350 +1 n GLN 351 +1 n GLY 352 +1 n SER 353 +1 n ASP 354 +1 n VAL 355 +1 n SER 356 +1 n LEU 357 +1 n THR 358 +1 n ALA 359 +1 n CYS 360 +1 n LYS 361 +1 n VAL 362 +# +loop_ +_ma_data.content_type +_ma_data.id +_ma_data.name +"model coordinates" 1 Model +"input structure" 2 "Input structure" +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold Monomer v2.0 model" +_ma_model_list.model_id 1 +_ma_model_list.model_name "Top ranked model" +_ma_model_list.model_type "Ab initio model" +_ma_model_list.ordinal_id 1 +# +loop_ +_ma_protocol_step.method_type +_ma_protocol_step.ordinal_id +_ma_protocol_step.protocol_id +_ma_protocol_step.step_id +"coevolution MSA" 1 1 1 +"template search" 2 1 2 +modeling 3 1 3 +# +loop_ +_ma_qa_metric.id +_ma_qa_metric.mode +_ma_qa_metric.name +_ma_qa_metric.software_group_id +_ma_qa_metric.type +1 global pLDDT 1 pLDDT +2 local pLDDT 1 pLDDT +# +_ma_qa_metric_global.metric_id 1 +_ma_qa_metric_global.metric_value 86.80 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +loop_ +_ma_qa_metric_local.label_asym_id +_ma_qa_metric_local.label_comp_id +_ma_qa_metric_local.label_seq_id +_ma_qa_metric_local.metric_id +_ma_qa_metric_local.metric_value +_ma_qa_metric_local.model_id +_ma_qa_metric_local.ordinal_id +A MET 1 2 36.66 1 1 +A ALA 2 2 30.94 1 2 +A PRO 3 2 41.94 1 3 +A ARG 4 2 45.59 1 4 +A THR 5 2 45.19 1 5 +A LEU 6 2 42.38 1 6 +A VAL 7 2 42.03 1 7 +A LEU 8 2 42.28 1 8 +A LEU 9 2 41.25 1 9 +A LEU 10 2 38.31 1 10 +A SER 11 2 41.41 1 11 +A GLY 12 2 40.38 1 12 +A ALA 13 2 42.22 1 13 +A LEU 14 2 38.38 1 14 +A ALA 15 2 38.19 1 15 +A LEU 16 2 37.56 1 16 +A THR 17 2 39.03 1 17 +A GLN 18 2 37.72 1 18 +A THR 19 2 44.97 1 19 +A TRP 20 2 49.72 1 20 +A ALA 21 2 55.84 1 21 +A GLY 22 2 73.88 1 22 +A SER 23 2 90.12 1 23 +A HIS 24 2 94.56 1 24 +A SER 25 2 97.19 1 25 +A MET 26 2 98.50 1 26 +A ARG 27 2 98.62 1 27 +A TYR 28 2 98.75 1 28 +A PHE 29 2 98.81 1 29 +A PHE 30 2 98.75 1 30 +A THR 31 2 98.81 1 31 +A SER 32 2 98.62 1 32 +A VAL 33 2 98.38 1 33 +A SER 34 2 97.56 1 34 +A ARG 35 2 96.19 1 35 +A PRO 36 2 91.94 1 36 +A GLY 37 2 90.06 1 37 +A ARG 38 2 91.81 1 38 +A GLY 39 2 91.25 1 39 +A GLU 40 2 94.25 1 40 +A PRO 41 2 97.00 1 41 +A ARG 42 2 98.06 1 42 +A PHE 43 2 98.62 1 43 +A ILE 44 2 98.75 1 44 +A ALA 45 2 98.75 1 45 +A VAL 46 2 98.81 1 46 +A GLY 47 2 98.62 1 47 +A TYR 48 2 98.50 1 48 +A VAL 49 2 97.88 1 49 +A ASP 50 2 94.81 1 50 +A ASP 51 2 93.62 1 51 +A THR 52 2 95.50 1 52 +A GLN 53 2 97.12 1 53 +A PHE 54 2 98.06 1 54 +A VAL 55 2 98.50 1 55 +A ARG 56 2 98.56 1 56 +A PHE 57 2 98.75 1 57 +A ASP 58 2 98.56 1 58 +A SER 59 2 98.00 1 59 +A ASP 60 2 97.12 1 60 +A ALA 61 2 97.12 1 61 +A ALA 62 2 96.25 1 62 +A SER 63 2 93.38 1 63 +A GLN 64 2 95.88 1 64 +A ARG 65 2 97.88 1 65 +A MET 66 2 98.31 1 66 +A GLU 67 2 98.19 1 67 +A PRO 68 2 98.12 1 68 +A ARG 69 2 97.38 1 69 +A ALA 70 2 96.12 1 70 +A PRO 71 2 96.25 1 71 +A TRP 72 2 96.12 1 72 +A ILE 73 2 97.75 1 73 +A GLU 74 2 96.81 1 74 +A GLN 75 2 95.44 1 75 +A GLU 76 2 97.38 1 76 +A GLY 77 2 96.94 1 77 +A PRO 78 2 97.31 1 78 +A GLU 79 2 97.81 1 79 +A TYR 80 2 97.88 1 80 +A TRP 81 2 98.38 1 81 +A ASP 82 2 98.25 1 82 +A GLY 83 2 98.19 1 83 +A GLU 84 2 98.12 1 84 +A THR 85 2 98.56 1 85 +A ARG 86 2 98.44 1 86 +A LYS 87 2 97.69 1 87 +A VAL 88 2 98.12 1 88 +A LYS 89 2 98.19 1 89 +A ALA 90 2 98.12 1 90 +A HIS 91 2 97.56 1 91 +A SER 92 2 97.75 1 92 +A GLN 93 2 97.69 1 93 +A THR 94 2 97.31 1 94 +A HIS 95 2 97.62 1 95 +A ARG 96 2 97.25 1 96 +A VAL 97 2 97.25 1 97 +A ASP 98 2 97.56 1 98 +A LEU 99 2 97.75 1 99 +A GLY 100 2 95.94 1 100 +A THR 101 2 97.19 1 101 +A LEU 102 2 97.75 1 102 +A ARG 103 2 96.69 1 103 +A GLY 104 2 96.50 1 104 +A TYR 105 2 97.38 1 105 +A TYR 106 2 97.38 1 106 +A ASN 107 2 96.31 1 107 +A GLN 108 2 96.50 1 108 +A SER 109 2 94.50 1 109 +A GLU 110 2 90.88 1 110 +A ALA 111 2 91.81 1 111 +A GLY 112 2 92.81 1 112 +A SER 113 2 97.00 1 113 +A HIS 114 2 98.12 1 114 +A THR 115 2 98.56 1 115 +A VAL 116 2 98.62 1 116 +A GLN 117 2 98.75 1 117 +A ARG 118 2 98.50 1 118 +A MET 119 2 98.62 1 119 +A TYR 120 2 98.62 1 120 +A GLY 121 2 98.56 1 121 +A CYS 122 2 98.56 1 122 +A ASP 123 2 97.81 1 123 +A VAL 124 2 96.19 1 124 +A GLY 125 2 92.81 1 125 +A SER 126 2 88.00 1 126 +A ASP 127 2 88.25 1 127 +A TRP 128 2 87.56 1 128 +A ARG 129 2 93.50 1 129 +A PHE 130 2 97.00 1 130 +A LEU 131 2 96.44 1 131 +A ARG 132 2 97.12 1 132 +A GLY 133 2 97.94 1 133 +A TYR 134 2 98.44 1 134 +A HIS 135 2 98.56 1 135 +A GLN 136 2 98.50 1 136 +A TYR 137 2 98.62 1 137 +A ALA 138 2 98.75 1 138 +A TYR 139 2 98.62 1 139 +A ASP 140 2 98.12 1 140 +A GLY 141 2 97.25 1 141 +A LYS 142 2 98.38 1 142 +A ASP 143 2 98.62 1 143 +A TYR 144 2 98.75 1 144 +A ILE 145 2 98.75 1 145 +A ALA 146 2 98.75 1 146 +A LEU 147 2 98.75 1 147 +A LYS 148 2 98.38 1 148 +A GLU 149 2 97.38 1 149 +A ASP 150 2 97.38 1 150 +A LEU 151 2 98.00 1 151 +A ARG 152 2 97.38 1 152 +A SER 153 2 97.56 1 153 +A TRP 154 2 98.69 1 154 +A THR 155 2 98.56 1 155 +A ALA 156 2 98.62 1 156 +A ALA 157 2 98.31 1 157 +A ASP 158 2 97.81 1 158 +A MET 159 2 96.94 1 159 +A ALA 160 2 96.81 1 160 +A ALA 161 2 98.25 1 161 +A GLN 162 2 98.38 1 162 +A THR 163 2 97.50 1 163 +A THR 164 2 98.12 1 164 +A LYS 165 2 98.62 1 165 +A HIS 166 2 98.44 1 166 +A LYS 167 2 97.94 1 167 +A TRP 168 2 98.25 1 168 +A GLU 169 2 98.38 1 169 +A ALA 170 2 98.25 1 170 +A ALA 171 2 97.94 1 171 +A HIS 172 2 97.31 1 172 +A VAL 173 2 98.12 1 173 +A ALA 174 2 98.31 1 174 +A GLU 175 2 97.56 1 175 +A GLN 176 2 96.62 1 176 +A LEU 177 2 98.00 1 177 +A ARG 178 2 98.31 1 178 +A ALA 179 2 98.19 1 179 +A TYR 180 2 98.12 1 180 +A LEU 181 2 98.56 1 181 +A GLU 182 2 98.19 1 182 +A GLY 183 2 97.88 1 183 +A THR 184 2 97.81 1 184 +A CYS 185 2 98.44 1 185 +A VAL 186 2 98.19 1 186 +A GLU 187 2 97.81 1 187 +A TRP 188 2 97.88 1 188 +A LEU 189 2 98.06 1 189 +A ARG 190 2 95.94 1 190 +A ARG 191 2 96.50 1 191 +A TYR 192 2 97.25 1 192 +A LEU 193 2 95.06 1 193 +A GLU 194 2 94.94 1 194 +A ASN 195 2 96.00 1 195 +A GLY 196 2 95.25 1 196 +A LYS 197 2 92.56 1 197 +A GLU 198 2 91.25 1 198 +A THR 199 2 91.25 1 199 +A LEU 200 2 91.75 1 200 +A GLN 201 2 90.00 1 201 +A ARG 202 2 91.81 1 202 +A THR 203 2 92.88 1 203 +A ASP 204 2 95.06 1 204 +A ALA 205 2 97.06 1 205 +A PRO 206 2 97.94 1 206 +A LYS 207 2 97.88 1 207 +A THR 208 2 97.31 1 208 +A HIS 209 2 94.94 1 209 +A MET 210 2 95.56 1 210 +A THR 211 2 94.75 1 211 +A HIS 212 2 94.31 1 212 +A HIS 213 2 93.00 1 213 +A ALA 214 2 91.56 1 214 +A VAL 215 2 89.50 1 215 +A SER 216 2 90.69 1 216 +A ASP 217 2 87.88 1 217 +A HIS 218 2 91.88 1 218 +A GLU 219 2 94.44 1 219 +A ALA 220 2 94.62 1 220 +A THR 221 2 96.38 1 221 +A LEU 222 2 96.94 1 222 +A ARG 223 2 97.50 1 223 +A CYS 224 2 97.81 1 224 +A TRP 225 2 98.19 1 225 +A ALA 226 2 98.38 1 226 +A LEU 227 2 98.19 1 227 +A SER 228 2 97.38 1 228 +A PHE 229 2 97.12 1 229 +A TYR 230 2 95.06 1 230 +A PRO 231 2 93.88 1 231 +A ALA 232 2 95.50 1 232 +A GLU 233 2 94.62 1 233 +A ILE 234 2 95.81 1 234 +A THR 235 2 96.69 1 235 +A LEU 236 2 97.31 1 236 +A THR 237 2 96.44 1 237 +A TRP 238 2 97.31 1 238 +A GLN 239 2 96.94 1 239 +A ARG 240 2 96.38 1 240 +A ASP 241 2 93.81 1 241 +A GLY 242 2 90.12 1 242 +A GLU 243 2 94.19 1 243 +A ASP 244 2 94.06 1 244 +A GLN 245 2 93.94 1 245 +A THR 246 2 87.00 1 246 +A GLN 247 2 86.06 1 247 +A ASP 248 2 85.31 1 248 +A THR 249 2 93.62 1 249 +A GLU 250 2 96.06 1 250 +A LEU 251 2 96.19 1 251 +A VAL 252 2 96.31 1 252 +A GLU 253 2 96.31 1 253 +A THR 254 2 97.56 1 254 +A ARG 255 2 96.81 1 255 +A PRO 256 2 96.75 1 256 +A ALA 257 2 95.81 1 257 +A GLY 258 2 92.56 1 258 +A ASP 259 2 91.75 1 259 +A GLY 260 2 91.12 1 260 +A THR 261 2 96.12 1 261 +A PHE 262 2 97.81 1 262 +A GLN 263 2 98.12 1 263 +A LYS 264 2 98.44 1 264 +A TRP 265 2 98.12 1 265 +A ALA 266 2 98.00 1 266 +A ALA 267 2 97.38 1 267 +A VAL 268 2 97.12 1 268 +A VAL 269 2 96.56 1 269 +A VAL 270 2 95.56 1 270 +A PRO 271 2 95.00 1 271 +A SER 272 2 89.75 1 272 +A GLY 273 2 88.88 1 273 +A GLN 274 2 93.50 1 274 +A GLU 275 2 93.31 1 275 +A GLN 276 2 92.81 1 276 +A ARG 277 2 95.31 1 277 +A TYR 278 2 96.25 1 278 +A THR 279 2 97.25 1 279 +A CYS 280 2 97.56 1 280 +A HIS 281 2 97.19 1 281 +A VAL 282 2 97.62 1 282 +A GLN 283 2 96.81 1 283 +A HIS 284 2 95.00 1 284 +A GLU 285 2 91.12 1 285 +A GLY 286 2 91.75 1 286 +A LEU 287 2 94.19 1 287 +A PRO 288 2 91.56 1 288 +A LYS 289 2 92.62 1 289 +A PRO 290 2 94.69 1 290 +A LEU 291 2 95.88 1 291 +A THR 292 2 96.62 1 292 +A LEU 293 2 95.44 1 293 +A ARG 294 2 93.81 1 294 +A TRP 295 2 91.88 1 295 +A GLU 296 2 84.19 1 296 +A PRO 297 2 77.81 1 297 +A SER 298 2 60.97 1 298 +A SER 299 2 46.59 1 299 +A GLN 300 2 44.81 1 300 +A PRO 301 2 42.41 1 301 +A THR 302 2 51.50 1 302 +A ILE 303 2 55.16 1 303 +A PRO 304 2 56.25 1 304 +A ILE 305 2 60.59 1 305 +A VAL 306 2 62.22 1 306 +A GLY 307 2 66.69 1 307 +A ILE 308 2 72.06 1 308 +A ILE 309 2 72.75 1 309 +A ALA 310 2 74.69 1 310 +A GLY 311 2 79.25 1 311 +A LEU 312 2 83.69 1 312 +A VAL 313 2 81.81 1 313 +A LEU 314 2 79.94 1 314 +A PHE 315 2 79.19 1 315 +A GLY 316 2 79.31 1 316 +A ALA 317 2 79.88 1 317 +A VAL 318 2 82.44 1 318 +A ILE 319 2 79.62 1 319 +A THR 320 2 75.62 1 320 +A GLY 321 2 77.88 1 321 +A ALA 322 2 77.88 1 322 +A VAL 323 2 79.00 1 323 +A VAL 324 2 77.38 1 324 +A ALA 325 2 74.38 1 325 +A ALA 326 2 74.56 1 326 +A VAL 327 2 74.50 1 327 +A MET 328 2 73.81 1 328 +A TRP 329 2 71.62 1 329 +A ARG 330 2 65.06 1 330 +A ARG 331 2 60.09 1 331 +A LYS 332 2 54.59 1 332 +A SER 333 2 53.31 1 333 +A SER 334 2 52.81 1 334 +A ASP 335 2 45.78 1 335 +A ARG 336 2 46.66 1 336 +A LYS 337 2 38.19 1 337 +A GLY 338 2 35.31 1 338 +A GLY 339 2 33.59 1 339 +A SER 340 2 33.16 1 340 +A TYR 341 2 37.72 1 341 +A SER 342 2 34.12 1 342 +A GLN 343 2 40.22 1 343 +A ALA 344 2 32.16 1 344 +A ALA 345 2 33.72 1 345 +A SER 346 2 34.16 1 346 +A SER 347 2 37.72 1 347 +A ASP 348 2 36.34 1 348 +A SER 349 2 43.94 1 349 +A ALA 350 2 37.84 1 350 +A GLN 351 2 43.88 1 351 +A GLY 352 2 33.47 1 352 +A SER 353 2 43.34 1 353 +A ASP 354 2 40.19 1 354 +A VAL 355 2 37.22 1 355 +A SER 356 2 38.72 1 356 +A LEU 357 2 39.75 1 357 +A THR 358 2 40.97 1 358 +A ALA 359 2 40.66 1 359 +A CYS 360 2 37.56 1 360 +A LYS 361 2 37.53 1 361 +A VAL 362 2 46.91 1 362 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +_ma_target_entity.data_id 1 +_ma_target_entity.entity_id 1 +_ma_target_entity.origin "reference database" +# +_ma_target_entity_instance.asym_id A +_ma_target_entity_instance.details . +_ma_target_entity_instance.entity_id 1 +# +_ma_target_ref_db_details.db_accession O78126 +_ma_target_ref_db_details.db_code O78126_HUMAN +_ma_target_ref_db_details.db_name UNP +_ma_target_ref_db_details.gene_name "MHC class I HLA-A" +_ma_target_ref_db_details.ncbi_taxonomy_id 9606 +_ma_target_ref_db_details.organism_scientific "Homo sapiens" +_ma_target_ref_db_details.seq_db_align_begin 1 +_ma_target_ref_db_details.seq_db_align_end 362 +_ma_target_ref_db_details.seq_db_isoform ? +_ma_target_ref_db_details.seq_db_sequence_checksum C736072B75CD48A9 +_ma_target_ref_db_details.seq_db_sequence_version_date 1998-11-01 +_ma_target_ref_db_details.target_entity_id 1 +# +loop_ +_ma_template_details.ordinal_id +_ma_template_details.target_asym_id +_ma_template_details.template_auth_asym_id +_ma_template_details.template_data_id +_ma_template_details.template_entity_type +_ma_template_details.template_id +_ma_template_details.template_model_num +_ma_template_details.template_origin +_ma_template_details.template_trans_matrix_id +1 A F 2 polymer 1 1 "reference database" 1 +2 A A 2 polymer 2 1 "reference database" 1 +3 A A 2 polymer 3 1 "reference database" 1 +4 A A 2 polymer 4 1 "reference database" 1 +# +loop_ +_ma_template_ref_db_details.db_accession_code +_ma_template_ref_db_details.db_name +_ma_template_ref_db_details.template_id +6ENY PDB 1 +6FGB PDB 2 +1MHC PDB 3 +1K5N PDB 4 +# +_ma_template_trans_matrix.id 1 +_ma_template_trans_matrix.rot_matrix[1][1] 1.0 +_ma_template_trans_matrix.rot_matrix[1][2] 0.0 +_ma_template_trans_matrix.rot_matrix[1][3] 0.0 +_ma_template_trans_matrix.rot_matrix[2][1] 0.0 +_ma_template_trans_matrix.rot_matrix[2][2] 1.0 +_ma_template_trans_matrix.rot_matrix[2][3] 0.0 +_ma_template_trans_matrix.rot_matrix[3][1] 0.0 +_ma_template_trans_matrix.rot_matrix[3][2] 0.0 +_ma_template_trans_matrix.rot_matrix[3][3] 1.0 +_ma_template_trans_matrix.tr_vector[1] 0.0 +_ma_template_trans_matrix.tr_vector[2] 0.0 +_ma_template_trans_matrix.tr_vector[3] 0.0 +# +loop_ +_pdbx_audit_revision_details.data_content_type +_pdbx_audit_revision_details.description +_pdbx_audit_revision_details.ordinal +_pdbx_audit_revision_details.provider +_pdbx_audit_revision_details.revision_ordinal +_pdbx_audit_revision_details.type +"Structure model" "Format fixes, new metadata, initial UniProt release" 3 repository 3 Remediation +"Structure model" "Improved prediction accuracy, small format fixes" 4 repository 4 Remediation +# +loop_ +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.revision_date +"Structure model" 3 0 3 2022-06-01 +"Structure model" 4 0 4 2022-09-30 +# +loop_ +_pdbx_data_usage.details +_pdbx_data_usage.id +_pdbx_data_usage.name +_pdbx_data_usage.type +_pdbx_data_usage.url +"Data in this file is available under a CC-BY-4.0 license." 1 CC-BY-4.0 license https://creativecommons.org/licenses/by/4.0/ +;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION +PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS +USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED +OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE +THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE +A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES +NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR +ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. +; +2 ? disclaimer ? +# +_pdbx_database_status.entry_id AF-O78126-F1 +_pdbx_database_status.recvd_initial_deposition_date 2022-06-01 +_pdbx_database_status.status_code REL +# +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_mon_id +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.seq_id +A 1 1 n MET . MET 1 A 1 +A 2 1 n ALA . ALA 2 A 2 +A 3 1 n PRO . PRO 3 A 3 +A 4 1 n ARG . ARG 4 A 4 +A 5 1 n THR . THR 5 A 5 +A 6 1 n LEU . LEU 6 A 6 +A 7 1 n VAL . VAL 7 A 7 +A 8 1 n LEU . LEU 8 A 8 +A 9 1 n LEU . LEU 9 A 9 +A 10 1 n LEU . LEU 10 A 10 +A 11 1 n SER . SER 11 A 11 +A 12 1 n GLY . GLY 12 A 12 +A 13 1 n ALA . ALA 13 A 13 +A 14 1 n LEU . LEU 14 A 14 +A 15 1 n ALA . ALA 15 A 15 +A 16 1 n LEU . LEU 16 A 16 +A 17 1 n THR . THR 17 A 17 +A 18 1 n GLN . GLN 18 A 18 +A 19 1 n THR . THR 19 A 19 +A 20 1 n TRP . TRP 20 A 20 +A 21 1 n ALA . ALA 21 A 21 +A 22 1 n GLY . GLY 22 A 22 +A 23 1 n SER . SER 23 A 23 +A 24 1 n HIS . HIS 24 A 24 +A 25 1 n SER . SER 25 A 25 +A 26 1 n MET . MET 26 A 26 +A 27 1 n ARG . ARG 27 A 27 +A 28 1 n TYR . TYR 28 A 28 +A 29 1 n PHE . PHE 29 A 29 +A 30 1 n PHE . PHE 30 A 30 +A 31 1 n THR . THR 31 A 31 +A 32 1 n SER . SER 32 A 32 +A 33 1 n VAL . VAL 33 A 33 +A 34 1 n SER . SER 34 A 34 +A 35 1 n ARG . ARG 35 A 35 +A 36 1 n PRO . PRO 36 A 36 +A 37 1 n GLY . GLY 37 A 37 +A 38 1 n ARG . ARG 38 A 38 +A 39 1 n GLY . GLY 39 A 39 +A 40 1 n GLU . GLU 40 A 40 +A 41 1 n PRO . PRO 41 A 41 +A 42 1 n ARG . ARG 42 A 42 +A 43 1 n PHE . PHE 43 A 43 +A 44 1 n ILE . ILE 44 A 44 +A 45 1 n ALA . ALA 45 A 45 +A 46 1 n VAL . VAL 46 A 46 +A 47 1 n GLY . GLY 47 A 47 +A 48 1 n TYR . TYR 48 A 48 +A 49 1 n VAL . VAL 49 A 49 +A 50 1 n ASP . ASP 50 A 50 +A 51 1 n ASP . ASP 51 A 51 +A 52 1 n THR . THR 52 A 52 +A 53 1 n GLN . GLN 53 A 53 +A 54 1 n PHE . PHE 54 A 54 +A 55 1 n VAL . VAL 55 A 55 +A 56 1 n ARG . ARG 56 A 56 +A 57 1 n PHE . PHE 57 A 57 +A 58 1 n ASP . ASP 58 A 58 +A 59 1 n SER . SER 59 A 59 +A 60 1 n ASP . ASP 60 A 60 +A 61 1 n ALA . ALA 61 A 61 +A 62 1 n ALA . ALA 62 A 62 +A 63 1 n SER . SER 63 A 63 +A 64 1 n GLN . GLN 64 A 64 +A 65 1 n ARG . ARG 65 A 65 +A 66 1 n MET . MET 66 A 66 +A 67 1 n GLU . GLU 67 A 67 +A 68 1 n PRO . PRO 68 A 68 +A 69 1 n ARG . ARG 69 A 69 +A 70 1 n ALA . ALA 70 A 70 +A 71 1 n PRO . PRO 71 A 71 +A 72 1 n TRP . TRP 72 A 72 +A 73 1 n ILE . ILE 73 A 73 +A 74 1 n GLU . GLU 74 A 74 +A 75 1 n GLN . GLN 75 A 75 +A 76 1 n GLU . GLU 76 A 76 +A 77 1 n GLY . GLY 77 A 77 +A 78 1 n PRO . PRO 78 A 78 +A 79 1 n GLU . GLU 79 A 79 +A 80 1 n TYR . TYR 80 A 80 +A 81 1 n TRP . TRP 81 A 81 +A 82 1 n ASP . ASP 82 A 82 +A 83 1 n GLY . GLY 83 A 83 +A 84 1 n GLU . GLU 84 A 84 +A 85 1 n THR . THR 85 A 85 +A 86 1 n ARG . ARG 86 A 86 +A 87 1 n LYS . LYS 87 A 87 +A 88 1 n VAL . VAL 88 A 88 +A 89 1 n LYS . LYS 89 A 89 +A 90 1 n ALA . ALA 90 A 90 +A 91 1 n HIS . HIS 91 A 91 +A 92 1 n SER . SER 92 A 92 +A 93 1 n GLN . GLN 93 A 93 +A 94 1 n THR . THR 94 A 94 +A 95 1 n HIS . HIS 95 A 95 +A 96 1 n ARG . ARG 96 A 96 +A 97 1 n VAL . VAL 97 A 97 +A 98 1 n ASP . ASP 98 A 98 +A 99 1 n LEU . LEU 99 A 99 +A 100 1 n GLY . GLY 100 A 100 +A 101 1 n THR . THR 101 A 101 +A 102 1 n LEU . LEU 102 A 102 +A 103 1 n ARG . ARG 103 A 103 +A 104 1 n GLY . GLY 104 A 104 +A 105 1 n TYR . TYR 105 A 105 +A 106 1 n TYR . TYR 106 A 106 +A 107 1 n ASN . ASN 107 A 107 +A 108 1 n GLN . GLN 108 A 108 +A 109 1 n SER . SER 109 A 109 +A 110 1 n GLU . GLU 110 A 110 +A 111 1 n ALA . ALA 111 A 111 +A 112 1 n GLY . GLY 112 A 112 +A 113 1 n SER . SER 113 A 113 +A 114 1 n HIS . HIS 114 A 114 +A 115 1 n THR . THR 115 A 115 +A 116 1 n VAL . VAL 116 A 116 +A 117 1 n GLN . GLN 117 A 117 +A 118 1 n ARG . ARG 118 A 118 +A 119 1 n MET . MET 119 A 119 +A 120 1 n TYR . TYR 120 A 120 +A 121 1 n GLY . GLY 121 A 121 +A 122 1 n CYS . CYS 122 A 122 +A 123 1 n ASP . ASP 123 A 123 +A 124 1 n VAL . VAL 124 A 124 +A 125 1 n GLY . GLY 125 A 125 +A 126 1 n SER . SER 126 A 126 +A 127 1 n ASP . ASP 127 A 127 +A 128 1 n TRP . TRP 128 A 128 +A 129 1 n ARG . ARG 129 A 129 +A 130 1 n PHE . PHE 130 A 130 +A 131 1 n LEU . LEU 131 A 131 +A 132 1 n ARG . ARG 132 A 132 +A 133 1 n GLY . GLY 133 A 133 +A 134 1 n TYR . TYR 134 A 134 +A 135 1 n HIS . HIS 135 A 135 +A 136 1 n GLN . GLN 136 A 136 +A 137 1 n TYR . TYR 137 A 137 +A 138 1 n ALA . ALA 138 A 138 +A 139 1 n TYR . TYR 139 A 139 +A 140 1 n ASP . ASP 140 A 140 +A 141 1 n GLY . GLY 141 A 141 +A 142 1 n LYS . LYS 142 A 142 +A 143 1 n ASP . ASP 143 A 143 +A 144 1 n TYR . TYR 144 A 144 +A 145 1 n ILE . ILE 145 A 145 +A 146 1 n ALA . ALA 146 A 146 +A 147 1 n LEU . LEU 147 A 147 +A 148 1 n LYS . LYS 148 A 148 +A 149 1 n GLU . GLU 149 A 149 +A 150 1 n ASP . ASP 150 A 150 +A 151 1 n LEU . LEU 151 A 151 +A 152 1 n ARG . ARG 152 A 152 +A 153 1 n SER . SER 153 A 153 +A 154 1 n TRP . TRP 154 A 154 +A 155 1 n THR . THR 155 A 155 +A 156 1 n ALA . ALA 156 A 156 +A 157 1 n ALA . ALA 157 A 157 +A 158 1 n ASP . ASP 158 A 158 +A 159 1 n MET . MET 159 A 159 +A 160 1 n ALA . ALA 160 A 160 +A 161 1 n ALA . ALA 161 A 161 +A 162 1 n GLN . GLN 162 A 162 +A 163 1 n THR . THR 163 A 163 +A 164 1 n THR . THR 164 A 164 +A 165 1 n LYS . LYS 165 A 165 +A 166 1 n HIS . HIS 166 A 166 +A 167 1 n LYS . LYS 167 A 167 +A 168 1 n TRP . TRP 168 A 168 +A 169 1 n GLU . GLU 169 A 169 +A 170 1 n ALA . ALA 170 A 170 +A 171 1 n ALA . ALA 171 A 171 +A 172 1 n HIS . HIS 172 A 172 +A 173 1 n VAL . VAL 173 A 173 +A 174 1 n ALA . ALA 174 A 174 +A 175 1 n GLU . GLU 175 A 175 +A 176 1 n GLN . GLN 176 A 176 +A 177 1 n LEU . LEU 177 A 177 +A 178 1 n ARG . ARG 178 A 178 +A 179 1 n ALA . ALA 179 A 179 +A 180 1 n TYR . TYR 180 A 180 +A 181 1 n LEU . LEU 181 A 181 +A 182 1 n GLU . GLU 182 A 182 +A 183 1 n GLY . GLY 183 A 183 +A 184 1 n THR . THR 184 A 184 +A 185 1 n CYS . CYS 185 A 185 +A 186 1 n VAL . VAL 186 A 186 +A 187 1 n GLU . GLU 187 A 187 +A 188 1 n TRP . TRP 188 A 188 +A 189 1 n LEU . LEU 189 A 189 +A 190 1 n ARG . ARG 190 A 190 +A 191 1 n ARG . ARG 191 A 191 +A 192 1 n TYR . TYR 192 A 192 +A 193 1 n LEU . LEU 193 A 193 +A 194 1 n GLU . GLU 194 A 194 +A 195 1 n ASN . ASN 195 A 195 +A 196 1 n GLY . GLY 196 A 196 +A 197 1 n LYS . LYS 197 A 197 +A 198 1 n GLU . GLU 198 A 198 +A 199 1 n THR . THR 199 A 199 +A 200 1 n LEU . LEU 200 A 200 +A 201 1 n GLN . GLN 201 A 201 +A 202 1 n ARG . ARG 202 A 202 +A 203 1 n THR . THR 203 A 203 +A 204 1 n ASP . ASP 204 A 204 +A 205 1 n ALA . ALA 205 A 205 +A 206 1 n PRO . PRO 206 A 206 +A 207 1 n LYS . LYS 207 A 207 +A 208 1 n THR . THR 208 A 208 +A 209 1 n HIS . HIS 209 A 209 +A 210 1 n MET . MET 210 A 210 +A 211 1 n THR . THR 211 A 211 +A 212 1 n HIS . HIS 212 A 212 +A 213 1 n HIS . HIS 213 A 213 +A 214 1 n ALA . ALA 214 A 214 +A 215 1 n VAL . VAL 215 A 215 +A 216 1 n SER . SER 216 A 216 +A 217 1 n ASP . ASP 217 A 217 +A 218 1 n HIS . HIS 218 A 218 +A 219 1 n GLU . GLU 219 A 219 +A 220 1 n ALA . ALA 220 A 220 +A 221 1 n THR . THR 221 A 221 +A 222 1 n LEU . LEU 222 A 222 +A 223 1 n ARG . ARG 223 A 223 +A 224 1 n CYS . CYS 224 A 224 +A 225 1 n TRP . TRP 225 A 225 +A 226 1 n ALA . ALA 226 A 226 +A 227 1 n LEU . LEU 227 A 227 +A 228 1 n SER . SER 228 A 228 +A 229 1 n PHE . PHE 229 A 229 +A 230 1 n TYR . TYR 230 A 230 +A 231 1 n PRO . PRO 231 A 231 +A 232 1 n ALA . ALA 232 A 232 +A 233 1 n GLU . GLU 233 A 233 +A 234 1 n ILE . ILE 234 A 234 +A 235 1 n THR . THR 235 A 235 +A 236 1 n LEU . LEU 236 A 236 +A 237 1 n THR . THR 237 A 237 +A 238 1 n TRP . TRP 238 A 238 +A 239 1 n GLN . GLN 239 A 239 +A 240 1 n ARG . ARG 240 A 240 +A 241 1 n ASP . ASP 241 A 241 +A 242 1 n GLY . GLY 242 A 242 +A 243 1 n GLU . GLU 243 A 243 +A 244 1 n ASP . ASP 244 A 244 +A 245 1 n GLN . GLN 245 A 245 +A 246 1 n THR . THR 246 A 246 +A 247 1 n GLN . GLN 247 A 247 +A 248 1 n ASP . ASP 248 A 248 +A 249 1 n THR . THR 249 A 249 +A 250 1 n GLU . GLU 250 A 250 +A 251 1 n LEU . LEU 251 A 251 +A 252 1 n VAL . VAL 252 A 252 +A 253 1 n GLU . GLU 253 A 253 +A 254 1 n THR . THR 254 A 254 +A 255 1 n ARG . ARG 255 A 255 +A 256 1 n PRO . PRO 256 A 256 +A 257 1 n ALA . ALA 257 A 257 +A 258 1 n GLY . GLY 258 A 258 +A 259 1 n ASP . ASP 259 A 259 +A 260 1 n GLY . GLY 260 A 260 +A 261 1 n THR . THR 261 A 261 +A 262 1 n PHE . PHE 262 A 262 +A 263 1 n GLN . GLN 263 A 263 +A 264 1 n LYS . LYS 264 A 264 +A 265 1 n TRP . TRP 265 A 265 +A 266 1 n ALA . ALA 266 A 266 +A 267 1 n ALA . ALA 267 A 267 +A 268 1 n VAL . VAL 268 A 268 +A 269 1 n VAL . VAL 269 A 269 +A 270 1 n VAL . VAL 270 A 270 +A 271 1 n PRO . PRO 271 A 271 +A 272 1 n SER . SER 272 A 272 +A 273 1 n GLY . GLY 273 A 273 +A 274 1 n GLN . GLN 274 A 274 +A 275 1 n GLU . GLU 275 A 275 +A 276 1 n GLN . GLN 276 A 276 +A 277 1 n ARG . ARG 277 A 277 +A 278 1 n TYR . TYR 278 A 278 +A 279 1 n THR . THR 279 A 279 +A 280 1 n CYS . CYS 280 A 280 +A 281 1 n HIS . HIS 281 A 281 +A 282 1 n VAL . VAL 282 A 282 +A 283 1 n GLN . GLN 283 A 283 +A 284 1 n HIS . HIS 284 A 284 +A 285 1 n GLU . GLU 285 A 285 +A 286 1 n GLY . GLY 286 A 286 +A 287 1 n LEU . LEU 287 A 287 +A 288 1 n PRO . PRO 288 A 288 +A 289 1 n LYS . LYS 289 A 289 +A 290 1 n PRO . PRO 290 A 290 +A 291 1 n LEU . LEU 291 A 291 +A 292 1 n THR . THR 292 A 292 +A 293 1 n LEU . LEU 293 A 293 +A 294 1 n ARG . ARG 294 A 294 +A 295 1 n TRP . TRP 295 A 295 +A 296 1 n GLU . GLU 296 A 296 +A 297 1 n PRO . PRO 297 A 297 +A 298 1 n SER . SER 298 A 298 +A 299 1 n SER . SER 299 A 299 +A 300 1 n GLN . GLN 300 A 300 +A 301 1 n PRO . PRO 301 A 301 +A 302 1 n THR . THR 302 A 302 +A 303 1 n ILE . ILE 303 A 303 +A 304 1 n PRO . PRO 304 A 304 +A 305 1 n ILE . ILE 305 A 305 +A 306 1 n VAL . VAL 306 A 306 +A 307 1 n GLY . GLY 307 A 307 +A 308 1 n ILE . ILE 308 A 308 +A 309 1 n ILE . ILE 309 A 309 +A 310 1 n ALA . ALA 310 A 310 +A 311 1 n GLY . GLY 311 A 311 +A 312 1 n LEU . LEU 312 A 312 +A 313 1 n VAL . VAL 313 A 313 +A 314 1 n LEU . LEU 314 A 314 +A 315 1 n PHE . PHE 315 A 315 +A 316 1 n GLY . GLY 316 A 316 +A 317 1 n ALA . ALA 317 A 317 +A 318 1 n VAL . VAL 318 A 318 +A 319 1 n ILE . ILE 319 A 319 +A 320 1 n THR . THR 320 A 320 +A 321 1 n GLY . GLY 321 A 321 +A 322 1 n ALA . ALA 322 A 322 +A 323 1 n VAL . VAL 323 A 323 +A 324 1 n VAL . VAL 324 A 324 +A 325 1 n ALA . ALA 325 A 325 +A 326 1 n ALA . ALA 326 A 326 +A 327 1 n VAL . VAL 327 A 327 +A 328 1 n MET . MET 328 A 328 +A 329 1 n TRP . TRP 329 A 329 +A 330 1 n ARG . ARG 330 A 330 +A 331 1 n ARG . ARG 331 A 331 +A 332 1 n LYS . LYS 332 A 332 +A 333 1 n SER . SER 333 A 333 +A 334 1 n SER . SER 334 A 334 +A 335 1 n ASP . ASP 335 A 335 +A 336 1 n ARG . ARG 336 A 336 +A 337 1 n LYS . LYS 337 A 337 +A 338 1 n GLY . GLY 338 A 338 +A 339 1 n GLY . GLY 339 A 339 +A 340 1 n SER . SER 340 A 340 +A 341 1 n TYR . TYR 341 A 341 +A 342 1 n SER . SER 342 A 342 +A 343 1 n GLN . GLN 343 A 343 +A 344 1 n ALA . ALA 344 A 344 +A 345 1 n ALA . ALA 345 A 345 +A 346 1 n SER . SER 346 A 346 +A 347 1 n SER . SER 347 A 347 +A 348 1 n ASP . ASP 348 A 348 +A 349 1 n SER . SER 349 A 349 +A 350 1 n ALA . ALA 350 A 350 +A 351 1 n GLN . GLN 351 A 351 +A 352 1 n GLY . GLY 352 A 352 +A 353 1 n SER . SER 353 A 353 +A 354 1 n ASP . ASP 354 A 354 +A 355 1 n VAL . VAL 355 A 355 +A 356 1 n SER . SER 356 A 356 +A 357 1 n LEU . LEU 357 A 357 +A 358 1 n THR . THR 358 A 358 +A 359 1 n ALA . ALA 359 A 359 +A 360 1 n CYS . CYS 360 A 360 +A 361 1 n LYS . LYS 361 A 361 +A 362 1 n VAL . VAL 362 A 362 +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.pdbx_ordinal +_software.type +_software.version +other ? "Structure prediction" AlphaFold 1 package v2.0 +other ? "Secondary structure" dssp 2 library 4 +# +_struct_asym.entity_id 1 +_struct_asym.id A +# +loop_ +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.conf_type_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.pdbx_end_PDB_ins_code +A ARG 4 A ARG 4 HELX_RH_3T_P A LEU 6 A LEU 6 HELX_RH_3T_P1 ? ? +A VAL 7 A VAL 7 HELX_RH_AL_P A TRP 20 A TRP 20 HELX_RH_AL_P1 ? ? +A ALA 21 A ALA 21 BEND A GLY 22 A GLY 22 BEND1 ? ? +A HIS 24 A HIS 24 STRN A VAL 33 A VAL 33 STRN1 ? ? +A PRO 36 A PRO 36 TURN_TY1_P A GLY 37 A GLY 37 TURN_TY1_P1 ? ? +A ARG 38 A ARG 38 BEND A GLU 40 A GLU 40 BEND2 ? ? +A PRO 41 A PRO 41 HELX_LH_PP_P A PRO 41 A PRO 41 HELX_LH_PP_P1 ? ? +A ARG 42 A ARG 42 STRN A VAL 49 A VAL 49 STRN2 ? ? +A ASP 50 A ASP 50 TURN_TY1_P A ASP 51 A ASP 51 TURN_TY1_P2 ? ? +A THR 52 A THR 52 STRN A ASP 58 A ASP 58 STRN3 ? ? +A SER 59 A SER 59 TURN_TY1_P A ASP 60 A ASP 60 TURN_TY1_P3 ? ? +A ALA 61 A ALA 61 BEND A ALA 61 A ALA 61 BEND3 ? ? +A ALA 62 A ALA 62 TURN_TY1_P A SER 63 A SER 63 TURN_TY1_P4 ? ? +A ARG 65 A ARG 65 BEND A ARG 65 A ARG 65 BEND4 ? ? +A GLU 67 A GLU 67 STRN A PRO 68 A PRO 68 STRN4 ? ? +A ALA 70 A ALA 70 BEND A ALA 70 A ALA 70 BEND5 ? ? +A PRO 71 A PRO 71 HELX_RH_3T_P A ILE 73 A ILE 73 HELX_RH_3T_P2 ? ? +A GLU 74 A GLU 74 TURN_TY1_P A GLN 75 A GLN 75 TURN_TY1_P5 ? ? +A GLU 76 A GLU 76 BEND A GLU 76 A GLU 76 BEND6 ? ? +A PRO 78 A PRO 78 HELX_RH_AL_P A TYR 105 A TYR 105 HELX_RH_AL_P2 ? ? +A TYR 106 A TYR 106 TURN_TY1_P A ASN 107 A ASN 107 TURN_TY1_P6 ? ? +A GLU 110 A GLU 110 TURN_TY1_P A ALA 111 A ALA 111 TURN_TY1_P7 ? ? +A GLY 112 A GLY 112 BEND A GLY 112 A GLY 112 BEND7 ? ? +A THR 115 A THR 115 STRN A VAL 124 A VAL 124 STRN5 ? ? +A SER 126 A SER 126 TURN_TY1_P A ASP 127 A ASP 127 TURN_TY1_P8 ? ? +A TRP 128 A TRP 128 BEND A TRP 128 A TRP 128 BEND8 ? ? +A PHE 130 A PHE 130 STRN A TYR 139 A TYR 139 STRN6 ? ? +A ASP 140 A ASP 140 TURN_TY1_P A GLY 141 A GLY 141 TURN_TY1_P9 ? ? +A LYS 142 A LYS 142 STRN A LEU 147 A LEU 147 STRN7 ? ? +A GLU 149 A GLU 149 TURN_TY1_P A ASP 150 A ASP 150 TURN_TY1_P10 ? ? +A LEU 151 A LEU 151 BEND A ARG 152 A ARG 152 BEND9 ? ? +A TRP 154 A TRP 154 STRN A ALA 156 A ALA 156 STRN8 ? ? +A ALA 157 A ALA 157 BEND A ASP 158 A ASP 158 BEND10 ? ? +A MET 159 A MET 159 HELX_RH_AL_P A ALA 170 A ALA 170 HELX_RH_AL_P3 ? ? +A ALA 171 A ALA 171 TURN_TY1_P A HIS 172 A HIS 172 TURN_TY1_P11 ? ? +A VAL 173 A VAL 173 HELX_RH_AL_P A ALA 179 A ALA 179 HELX_RH_AL_P4 ? ? +A TYR 180 A TYR 180 HELX_RH_PI_P A THR 184 A THR 184 HELX_RH_PI_P1 ? ? +A CYS 185 A CYS 185 HELX_RH_AL_P A ASN 195 A ASN 195 HELX_RH_AL_P5 ? ? +A GLY 196 A GLY 196 TURN_TY1_P A GLY 196 A GLY 196 TURN_TY1_P12 ? ? +A LYS 197 A LYS 197 HELX_RH_AL_P A LEU 200 A LEU 200 HELX_RH_AL_P6 ? ? +A GLN 201 A GLN 201 BEND A GLN 201 A GLN 201 BEND11 ? ? +A ASP 204 A ASP 204 STRN A ASP 204 A ASP 204 STRN9 ? ? +A LYS 207 A LYS 207 STRN A ALA 214 A ALA 214 STRN10 ? ? +A SER 216 A SER 216 BEND A HIS 218 A HIS 218 BEND12 ? ? +A GLU 219 A GLU 219 STRN A PHE 229 A PHE 229 STRN11 ? ? +A TYR 230 A TYR 230 STRN A TYR 230 A TYR 230 STRN12 ? ? +A PRO 231 A PRO 231 BEND A ALA 232 A ALA 232 BEND13 ? ? +A THR 235 A THR 235 STRN A ARG 240 A ARG 240 STRN13 ? ? +A ASP 241 A ASP 241 TURN_TY1_P A GLY 242 A GLY 242 TURN_TY1_P13 ? ? +A GLU 243 A GLU 243 STRN A ASP 244 A ASP 244 STRN14 ? ? +A THR 246 A THR 246 TURN_TY1_P A ASP 248 A ASP 248 TURN_TY1_P14 ? ? +A THR 249 A THR 249 STRN A LEU 251 A LEU 251 STRN15 ? ? +A VAL 252 A VAL 252 HELX_LH_PP_P A THR 254 A THR 254 HELX_LH_PP_P2 ? ? +A ARG 255 A ARG 255 STRN A PRO 256 A PRO 256 STRN16 ? ? +A GLY 258 A GLY 258 BEND A GLY 260 A GLY 260 BEND14 ? ? +A PHE 262 A PHE 262 STRN A PRO 271 A PRO 271 STRN17 ? ? +A SER 272 A SER 272 TURN_TY1_P A GLY 273 A GLY 273 TURN_TY1_P15 ? ? +A GLU 275 A GLU 275 HELX_RH_3T_P A ARG 277 A ARG 277 HELX_RH_3T_P3 ? ? +A TYR 278 A TYR 278 STRN A GLN 283 A GLN 283 STRN18 ? ? +A GLU 285 A GLU 285 TURN_TY1_P A GLY 286 A GLY 286 TURN_TY1_P16 ? ? +A PRO 288 A PRO 288 BEND A LYS 289 A LYS 289 BEND15 ? ? +A LEU 291 A LEU 291 STRN A ARG 294 A ARG 294 STRN19 ? ? +A ILE 305 A ILE 305 HELX_RH_AL_P A SER 334 A SER 334 HELX_RH_AL_P7 ? ? +A ASP 335 A ASP 335 TURN_TY1_P A ARG 336 A ARG 336 TURN_TY1_P17 ? ? +# +loop_ +_struct_conf_type.criteria +_struct_conf_type.id +DSSP HELX_RH_3T_P +DSSP HELX_RH_AL_P +DSSP BEND +DSSP STRN +DSSP TURN_TY1_P +DSSP HELX_LH_PP_P +DSSP HELX_RH_PI_P +# +_struct_ref.db_code O78126_HUMAN +_struct_ref.db_name UNP +_struct_ref.entity_id 1 +_struct_ref.id 1 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_align_end 362 +_struct_ref.pdbx_db_accession O78126 +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code +;MAPRTLVLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEY +WDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMA +AQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQR +DGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEPSSQPTIPIVGIIAGLVLFGAVIT +GAVVAAVMWRRKSSDRKGGSYSQAASSDSAQGSDVSLTACKV +; +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.db_align_end 362 +_struct_ref_seq.pdbx_PDB_id_code AF-O78126-F1 +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 362 +_struct_ref_seq.pdbx_db_accession O78126 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.ref_id 1 +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.seq_align_end 362 +# +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_site.pdbx_sifts_xref_db_acc +_atom_site.pdbx_sifts_xref_db_name +_atom_site.pdbx_sifts_xref_db_num +_atom_site.pdbx_sifts_xref_db_res +ATOM 1 N N . MET A 1 1 ? 6.817 -16.102 48.699 1.0 36.66 ? 1 MET A N 1 O78126 UNP 1 M +ATOM 2 C CA . MET A 1 1 ? 7.315 -16.399 47.338 1.0 36.66 ? 1 MET A CA 1 O78126 UNP 1 M +ATOM 3 C C . MET A 1 1 ? 6.114 -16.266 46.404 1.0 36.66 ? 1 MET A C 1 O78126 UNP 1 M +ATOM 4 C CB . MET A 1 1 ? 7.979 -17.796 47.336 1.0 36.66 ? 1 MET A CB 1 O78126 UNP 1 M +ATOM 5 O O . MET A 1 1 ? 5.286 -17.161 46.372 1.0 36.66 ? 1 MET A O 1 O78126 UNP 1 M +ATOM 6 C CG . MET A 1 1 ? 9.071 -17.965 46.276 1.0 36.66 ? 1 MET A CG 1 O78126 UNP 1 M +ATOM 7 S SD . MET A 1 1 ? 9.922 -19.569 46.355 1.0 36.66 ? 1 MET A SD 1 O78126 UNP 1 M +ATOM 8 C CE . MET A 1 1 ? 11.012 -19.385 47.792 1.0 36.66 ? 1 MET A CE 1 O78126 UNP 1 M +ATOM 9 N N . ALA A 1 2 ? 5.908 -15.079 45.825 1.0 30.94 ? 2 ALA A N 1 O78126 UNP 2 A +ATOM 10 C CA . ALA A 1 2 ? 4.733 -14.765 45.004 1.0 30.94 ? 2 ALA A CA 1 O78126 UNP 2 A +ATOM 11 C C . ALA A 1 2 ? 4.932 -15.264 43.558 1.0 30.94 ? 2 ALA A C 1 O78126 UNP 2 A +ATOM 12 C CB . ALA A 1 2 ? 4.470 -13.256 45.072 1.0 30.94 ? 2 ALA A CB 1 O78126 UNP 2 A +ATOM 13 O O . ALA A 1 2 ? 6.071 -15.259 43.079 1.0 30.94 ? 2 ALA A O 1 O78126 UNP 2 A +ATOM 14 N N . PRO A 1 3 ? 3.875 -15.726 42.868 1.0 41.94 ? 3 PRO A N 1 O78126 UNP 3 P +ATOM 15 C CA . PRO A 1 3 ? 4.019 -16.442 41.610 1.0 41.94 ? 3 PRO A CA 1 O78126 UNP 3 P +ATOM 16 C C . PRO A 1 3 ? 4.307 -15.482 40.448 1.0 41.94 ? 3 PRO A C 1 O78126 UNP 3 P +ATOM 17 C CB . PRO A 1 3 ? 2.727 -17.245 41.447 1.0 41.94 ? 3 PRO A CB 1 O78126 UNP 3 P +ATOM 18 O O . PRO A 1 3 ? 3.650 -14.461 40.261 1.0 41.94 ? 3 PRO A O 1 O78126 UNP 3 P +ATOM 19 C CG . PRO A 1 3 ? 1.685 -16.380 42.155 1.0 41.94 ? 3 PRO A CG 1 O78126 UNP 3 P +ATOM 20 C CD . PRO A 1 3 ? 2.473 -15.679 43.263 1.0 41.94 ? 3 PRO A CD 1 O78126 UNP 3 P +ATOM 21 N N . ARG A 1 4 ? 5.315 -15.852 39.653 1.0 45.59 ? 4 ARG A N 1 O78126 UNP 4 R +ATOM 22 C CA . ARG A 1 4 ? 5.856 -15.154 38.473 1.0 45.59 ? 4 ARG A CA 1 O78126 UNP 4 R +ATOM 23 C C . ARG A 1 4 ? 4.935 -15.156 37.238 1.0 45.59 ? 4 ARG A C 1 O78126 UNP 4 R +ATOM 24 C CB . ARG A 1 4 ? 7.235 -15.770 38.146 1.0 45.59 ? 4 ARG A CB 1 O78126 UNP 4 R +ATOM 25 O O . ARG A 1 4 ? 5.385 -14.832 36.146 1.0 45.59 ? 4 ARG A O 1 O78126 UNP 4 R +ATOM 26 C CG . ARG A 1 4 ? 8.382 -15.145 38.949 1.0 45.59 ? 4 ARG A CG 1 O78126 UNP 4 R +ATOM 27 C CD . ARG A 1 4 ? 9.696 -15.861 38.603 1.0 45.59 ? 4 ARG A CD 1 O78126 UNP 4 R +ATOM 28 N NE . ARG A 1 4 ? 10.877 -15.046 38.951 1.0 45.59 ? 4 ARG A NE 1 O78126 UNP 4 R +ATOM 29 N NH1 . ARG A 1 4 ? 12.331 -16.750 39.479 1.0 45.59 ? 4 ARG A NH1 1 O78126 UNP 4 R +ATOM 30 N NH2 . ARG A 1 4 ? 13.059 -14.644 39.456 1.0 45.59 ? 4 ARG A NH2 1 O78126 UNP 4 R +ATOM 31 C CZ . ARG A 1 4 ? 12.076 -15.484 39.295 1.0 45.59 ? 4 ARG A CZ 1 O78126 UNP 4 R +ATOM 32 N N . THR A 1 5 ? 3.659 -15.499 37.375 1.0 45.19 ? 5 THR A N 1 O78126 UNP 5 T +ATOM 33 C CA . THR A 1 5 ? 2.732 -15.666 36.242 1.0 45.19 ? 5 THR A CA 1 O78126 UNP 5 T +ATOM 34 C C . THR A 1 5 ? 2.035 -14.381 35.787 1.0 45.19 ? 5 THR A C 1 O78126 UNP 5 T +ATOM 35 C CB . THR A 1 5 ? 1.718 -16.786 36.524 1.0 45.19 ? 5 THR A CB 1 O78126 UNP 5 T +ATOM 36 O O . THR A 1 5 ? 1.453 -14.373 34.711 1.0 45.19 ? 5 THR A O 1 O78126 UNP 5 T +ATOM 37 C CG2 . THR A 1 5 ? 2.282 -18.138 36.089 1.0 45.19 ? 5 THR A CG2 1 O78126 UNP 5 T +ATOM 38 O OG1 . THR A 1 5 ? 1.445 -16.888 37.909 1.0 45.19 ? 5 THR A OG1 1 O78126 UNP 5 T +ATOM 39 N N . LEU A 1 6 ? 2.149 -13.270 36.523 1.0 42.38 ? 6 LEU A N 1 O78126 UNP 6 L +ATOM 40 C CA . LEU A 1 6 ? 1.529 -11.990 36.135 1.0 42.38 ? 6 LEU A CA 1 O78126 UNP 6 L +ATOM 41 C C . LEU A 1 6 ? 2.392 -11.109 35.208 1.0 42.38 ? 6 LEU A C 1 O78126 UNP 6 L +ATOM 42 C CB . LEU A 1 6 ? 1.077 -11.238 37.407 1.0 42.38 ? 6 LEU A CB 1 O78126 UNP 6 L +ATOM 43 O O . LEU A 1 6 ? 1.892 -10.140 34.648 1.0 42.38 ? 6 LEU A O 1 O78126 UNP 6 L +ATOM 44 C CG . LEU A 1 6 ? -0.459 -11.077 37.505 1.0 42.38 ? 6 LEU A CG 1 O78126 UNP 6 L +ATOM 45 C CD1 . LEU A 1 6 ? -0.983 -11.664 38.816 1.0 42.38 ? 6 LEU A CD1 1 O78126 UNP 6 L +ATOM 46 C CD2 . LEU A 1 6 ? -0.859 -9.604 37.431 1.0 42.38 ? 6 LEU A CD2 1 O78126 UNP 6 L +ATOM 47 N N . VAL A 1 7 ? 3.675 -11.433 35.017 1.0 42.03 ? 7 VAL A N 1 O78126 UNP 7 V +ATOM 48 C CA . VAL A 1 7 ? 4.606 -10.571 34.259 1.0 42.03 ? 7 VAL A CA 1 O78126 UNP 7 V +ATOM 49 C C . VAL A 1 7 ? 4.517 -10.799 32.743 1.0 42.03 ? 7 VAL A C 1 O78126 UNP 7 V +ATOM 50 C CB . VAL A 1 7 ? 6.041 -10.703 34.816 1.0 42.03 ? 7 VAL A CB 1 O78126 UNP 7 V +ATOM 51 O O . VAL A 1 7 ? 4.744 -9.870 31.973 1.0 42.03 ? 7 VAL A O 1 O78126 UNP 7 V +ATOM 52 C CG1 . VAL A 1 7 ? 7.065 -9.845 34.064 1.0 42.03 ? 7 VAL A CG1 1 O78126 UNP 7 V +ATOM 53 C CG2 . VAL A 1 7 ? 6.083 -10.268 36.292 1.0 42.03 ? 7 VAL A CG2 1 O78126 UNP 7 V +ATOM 54 N N . LEU A 1 8 ? 4.116 -11.987 32.278 1.0 42.28 ? 8 LEU A N 1 O78126 UNP 8 L +ATOM 55 C CA . LEU A 1 8 ? 4.109 -12.314 30.843 1.0 42.28 ? 8 LEU A CA 1 O78126 UNP 8 L +ATOM 56 C C . LEU A 1 8 ? 2.953 -11.665 30.058 1.0 42.28 ? 8 LEU A C 1 O78126 UNP 8 L +ATOM 57 C CB . LEU A 1 8 ? 4.153 -13.844 30.678 1.0 42.28 ? 8 LEU A CB 1 O78126 UNP 8 L +ATOM 58 O O . LEU A 1 8 ? 3.164 -11.240 28.927 1.0 42.28 ? 8 LEU A O 1 O78126 UNP 8 L +ATOM 59 C CG . LEU A 1 8 ? 5.581 -14.405 30.837 1.0 42.28 ? 8 LEU A CG 1 O78126 UNP 8 L +ATOM 60 C CD1 . LEU A 1 8 ? 5.539 -15.891 31.188 1.0 42.28 ? 8 LEU A CD1 1 O78126 UNP 8 L +ATOM 61 C CD2 . LEU A 1 8 ? 6.396 -14.238 29.551 1.0 42.28 ? 8 LEU A CD2 1 O78126 UNP 8 L +ATOM 62 N N . LEU A 1 9 ? 1.772 -11.492 30.662 1.0 41.25 ? 9 LEU A N 1 O78126 UNP 9 L +ATOM 63 C CA . LEU A 1 9 ? 0.631 -10.837 29.998 1.0 41.25 ? 9 LEU A CA 1 O78126 UNP 9 L +ATOM 64 C C . LEU A 1 9 ? 0.830 -9.320 29.855 1.0 41.25 ? 9 LEU A C 1 O78126 UNP 9 L +ATOM 65 C CB . LEU A 1 9 ? -0.662 -11.173 30.763 1.0 41.25 ? 9 LEU A CB 1 O78126 UNP 9 L +ATOM 66 O O . LEU A 1 9 ? 0.513 -8.744 28.817 1.0 41.25 ? 9 LEU A O 1 O78126 UNP 9 L +ATOM 67 C CG . LEU A 1 9 ? -1.154 -12.615 30.528 1.0 41.25 ? 9 LEU A CG 1 O78126 UNP 9 L +ATOM 68 C CD1 . LEU A 1 9 ? -2.187 -12.993 31.588 1.0 41.25 ? 9 LEU A CD1 1 O78126 UNP 9 L +ATOM 69 C CD2 . LEU A 1 9 ? -1.795 -12.778 29.149 1.0 41.25 ? 9 LEU A CD2 1 O78126 UNP 9 L +ATOM 70 N N . LEU A 1 10 ? 1.442 -8.681 30.858 1.0 38.31 ? 10 LEU A N 1 O78126 UNP 10 L +ATOM 71 C CA . LEU A 1 10 ? 1.827 -7.268 30.781 1.0 38.31 ? 10 LEU A CA 1 O78126 UNP 10 L +ATOM 72 C C . LEU A 1 10 ? 2.953 -7.038 29.763 1.0 38.31 ? 10 LEU A C 1 O78126 UNP 10 L +ATOM 73 C CB . LEU A 1 10 ? 2.215 -6.777 32.187 1.0 38.31 ? 10 LEU A CB 1 O78126 UNP 10 L +ATOM 74 O O . LEU A 1 10 ? 2.964 -6.005 29.102 1.0 38.31 ? 10 LEU A O 1 O78126 UNP 10 L +ATOM 75 C CG . LEU A 1 10 ? 0.990 -6.491 33.077 1.0 38.31 ? 10 LEU A CG 1 O78126 UNP 10 L +ATOM 76 C CD1 . LEU A 1 10 ? 1.393 -6.486 34.551 1.0 38.31 ? 10 LEU A CD1 1 O78126 UNP 10 L +ATOM 77 C CD2 . LEU A 1 10 ? 0.368 -5.130 32.751 1.0 38.31 ? 10 LEU A CD2 1 O78126 UNP 10 L +ATOM 78 N N . SER A 1 11 ? 3.857 -8.009 29.588 1.0 41.41 ? 11 SER A N 1 O78126 UNP 11 S +ATOM 79 C CA . SER A 1 11 ? 4.944 -7.930 28.599 1.0 41.41 ? 11 SER A CA 1 O78126 UNP 11 S +ATOM 80 C C . SER A 1 11 ? 4.430 -7.979 27.158 1.0 41.41 ? 11 SER A C 1 O78126 UNP 11 S +ATOM 81 C CB . SER A 1 11 ? 5.948 -9.071 28.792 1.0 41.41 ? 11 SER A CB 1 O78126 UNP 11 S +ATOM 82 O O . SER A 1 11 ? 4.943 -7.254 26.314 1.0 41.41 ? 11 SER A O 1 O78126 UNP 11 S +ATOM 83 O OG . SER A 1 11 ? 6.455 -9.121 30.112 1.0 41.41 ? 11 SER A OG 1 O78126 UNP 11 S +ATOM 84 N N . GLY A 1 12 ? 3.403 -8.792 26.878 1.0 40.38 ? 12 GLY A N 1 O78126 UNP 12 G +ATOM 85 C CA . GLY A 1 12 ? 2.779 -8.870 25.552 1.0 40.38 ? 12 GLY A CA 1 O78126 UNP 12 G +ATOM 86 C C . GLY A 1 12 ? 2.034 -7.588 25.173 1.0 40.38 ? 12 GLY A C 1 O78126 UNP 12 G +ATOM 87 O O . GLY A 1 12 ? 2.224 -7.069 24.076 1.0 40.38 ? 12 GLY A O 1 O78126 UNP 12 G +ATOM 88 N N . ALA A 1 13 ? 1.260 -7.022 26.106 1.0 42.22 ? 13 ALA A N 1 O78126 UNP 13 A +ATOM 89 C CA . ALA A 1 13 ? 0.570 -5.749 25.890 1.0 42.22 ? 13 ALA A CA 1 O78126 UNP 13 A +ATOM 90 C C . ALA A 1 13 ? 1.553 -4.569 25.748 1.0 42.22 ? 13 ALA A C 1 O78126 UNP 13 A +ATOM 91 C CB . ALA A 1 13 ? -0.424 -5.537 27.038 1.0 42.22 ? 13 ALA A CB 1 O78126 UNP 13 A +ATOM 92 O O . ALA A 1 13 ? 1.377 -3.734 24.865 1.0 42.22 ? 13 ALA A O 1 O78126 UNP 13 A +ATOM 93 N N . LEU A 1 14 ? 2.618 -4.524 26.562 1.0 38.38 ? 14 LEU A N 1 O78126 UNP 14 L +ATOM 94 C CA . LEU A 1 14 ? 3.647 -3.481 26.468 1.0 38.38 ? 14 LEU A CA 1 O78126 UNP 14 L +ATOM 95 C C . LEU A 1 14 ? 4.472 -3.585 25.175 1.0 38.38 ? 14 LEU A C 1 O78126 UNP 14 L +ATOM 96 C CB . LEU A 1 14 ? 4.545 -3.501 27.720 1.0 38.38 ? 14 LEU A CB 1 O78126 UNP 14 L +ATOM 97 O O . LEU A 1 14 ? 4.729 -2.558 24.549 1.0 38.38 ? 14 LEU A O 1 O78126 UNP 14 L +ATOM 98 C CG . LEU A 1 14 ? 3.904 -2.790 28.929 1.0 38.38 ? 14 LEU A CG 1 O78126 UNP 14 L +ATOM 99 C CD1 . LEU A 1 14 ? 4.575 -3.221 30.234 1.0 38.38 ? 14 LEU A CD1 1 O78126 UNP 14 L +ATOM 100 C CD2 . LEU A 1 14 ? 4.049 -1.268 28.823 1.0 38.38 ? 14 LEU A CD2 1 O78126 UNP 14 L +ATOM 101 N N . ALA A 1 15 ? 4.832 -4.796 24.734 1.0 38.19 ? 15 ALA A N 1 O78126 UNP 15 A +ATOM 102 C CA . ALA A 1 15 ? 5.577 -5.004 23.489 1.0 38.19 ? 15 ALA A CA 1 O78126 UNP 15 A +ATOM 103 C C . ALA A 1 15 ? 4.777 -4.580 22.242 1.0 38.19 ? 15 ALA A C 1 O78126 UNP 15 A +ATOM 104 C CB . ALA A 1 15 ? 6.005 -6.474 23.411 1.0 38.19 ? 15 ALA A CB 1 O78126 UNP 15 A +ATOM 105 O O . ALA A 1 15 ? 5.352 -4.012 21.313 1.0 38.19 ? 15 ALA A O 1 O78126 UNP 15 A +ATOM 106 N N . LEU A 1 16 ? 3.453 -4.779 22.239 1.0 37.56 ? 16 LEU A N 1 O78126 UNP 16 L +ATOM 107 C CA . LEU A 1 16 ? 2.588 -4.242 21.184 1.0 37.56 ? 16 LEU A CA 1 O78126 UNP 16 L +ATOM 108 C C . LEU A 1 16 ? 2.463 -2.715 21.268 1.0 37.56 ? 16 LEU A C 1 O78126 UNP 16 L +ATOM 109 C CB . LEU A 1 16 ? 1.218 -4.945 21.190 1.0 37.56 ? 16 LEU A CB 1 O78126 UNP 16 L +ATOM 110 O O . LEU A 1 16 ? 2.630 -2.052 20.257 1.0 37.56 ? 16 LEU A O 1 O78126 UNP 16 L +ATOM 111 C CG . LEU A 1 16 ? 1.159 -6.146 20.217 1.0 37.56 ? 16 LEU A CG 1 O78126 UNP 16 L +ATOM 112 C CD1 . LEU A 1 16 ? 0.933 -7.466 20.953 1.0 37.56 ? 16 LEU A CD1 1 O78126 UNP 16 L +ATOM 113 C CD2 . LEU A 1 16 ? 0.028 -5.964 19.204 1.0 37.56 ? 16 LEU A CD2 1 O78126 UNP 16 L +ATOM 114 N N . THR A 1 17 ? 2.292 -2.114 22.450 1.0 39.03 ? 17 THR A N 1 O78126 UNP 17 T +ATOM 115 C CA . THR A 1 17 ? 2.222 -0.637 22.538 1.0 39.03 ? 17 THR A CA 1 O78126 UNP 17 T +ATOM 116 C C . THR A 1 17 ? 3.511 0.072 22.111 1.0 39.03 ? 17 THR A C 1 O78126 UNP 17 T +ATOM 117 C CB . THR A 1 17 ? 1.837 -0.152 23.940 1.0 39.03 ? 17 THR A CB 1 O78126 UNP 17 T +ATOM 118 O O . THR A 1 17 ? 3.461 1.207 21.647 1.0 39.03 ? 17 THR A O 1 O78126 UNP 17 T +ATOM 119 C CG2 . THR A 1 17 ? 0.398 -0.518 24.299 1.0 39.03 ? 17 THR A CG2 1 O78126 UNP 17 T +ATOM 120 O OG1 . THR A 1 17 ? 2.684 -0.669 24.944 1.0 39.03 ? 17 THR A OG1 1 O78126 UNP 17 T +ATOM 121 N N . GLN A 1 18 ? 4.669 -0.585 22.240 1.0 37.72 ? 18 GLN A N 1 O78126 UNP 18 Q +ATOM 122 C CA . GLN A 1 18 ? 5.970 0.008 21.920 1.0 37.72 ? 18 GLN A CA 1 O78126 UNP 18 Q +ATOM 123 C C . GLN A 1 18 ? 6.333 -0.072 20.427 1.0 37.72 ? 18 GLN A C 1 O78126 UNP 18 Q +ATOM 124 C CB . GLN A 1 18 ? 7.038 -0.643 22.818 1.0 37.72 ? 18 GLN A CB 1 O78126 UNP 18 Q +ATOM 125 O O . GLN A 1 18 ? 7.288 0.577 20.011 1.0 37.72 ? 18 GLN A O 1 O78126 UNP 18 Q +ATOM 126 C CG . GLN A 1 18 ? 8.110 0.355 23.272 1.0 37.72 ? 18 GLN A CG 1 O78126 UNP 18 Q +ATOM 127 C CD . GLN A 1 18 ? 9.032 -0.219 24.346 1.0 37.72 ? 18 GLN A CD 1 O78126 UNP 18 Q +ATOM 128 N NE2 . GLN A 1 18 ? 9.676 0.622 25.125 1.0 37.72 ? 18 GLN A NE2 1 O78126 UNP 18 Q +ATOM 129 O OE1 . GLN A 1 18 ? 9.204 -1.413 24.526 1.0 37.72 ? 18 GLN A OE1 1 O78126 UNP 18 Q +ATOM 130 N N . THR A 1 19 ? 5.593 -0.849 19.625 1.0 44.97 ? 19 THR A N 1 O78126 UNP 19 T +ATOM 131 C CA . THR A 1 19 ? 5.880 -1.047 18.191 1.0 44.97 ? 19 THR A CA 1 O78126 UNP 19 T +ATOM 132 C C . THR A 1 19 ? 5.088 -0.128 17.262 1.0 44.97 ? 19 THR A C 1 O78126 UNP 19 T +ATOM 133 C CB . THR A 1 19 ? 5.712 -2.522 17.770 1.0 44.97 ? 19 THR A CB 1 O78126 UNP 19 T +ATOM 134 O O . THR A 1 19 ? 5.404 -0.076 16.081 1.0 44.97 ? 19 THR A O 1 O78126 UNP 19 T +ATOM 135 C CG2 . THR A 1 19 ? 6.892 -3.369 18.241 1.0 44.97 ? 19 THR A CG2 1 O78126 UNP 19 T +ATOM 136 O OG1 . THR A 1 19 ? 4.579 -3.128 18.344 1.0 44.97 ? 19 THR A OG1 1 O78126 UNP 19 T +ATOM 137 N N . TRP A 1 20 ? 4.092 0.605 17.771 1.0 49.72 ? 20 TRP A N 1 O78126 UNP 20 W +ATOM 138 C CA . TRP A 1 20 ? 3.139 1.330 16.919 1.0 49.72 ? 20 TRP A CA 1 O78126 UNP 20 W +ATOM 139 C C . TRP A 1 20 ? 3.504 2.804 16.736 1.0 49.72 ? 20 TRP A C 1 O78126 UNP 20 W +ATOM 140 C CB . TRP A 1 20 ? 1.722 1.141 17.475 1.0 49.72 ? 20 TRP A CB 1 O78126 UNP 20 W +ATOM 141 O O . TRP A 1 20 ? 3.316 3.349 15.658 1.0 49.72 ? 20 TRP A O 1 O78126 UNP 20 W +ATOM 142 C CG . TRP A 1 20 ? 1.150 -0.240 17.306 1.0 49.72 ? 20 TRP A CG 1 O78126 UNP 20 W +ATOM 143 C CD1 . TRP A 1 20 ? 1.780 -1.411 17.550 1.0 49.72 ? 20 TRP A CD1 1 O78126 UNP 20 W +ATOM 144 C CD2 . TRP A 1 20 ? -0.163 -0.622 16.801 1.0 49.72 ? 20 TRP A CD2 1 O78126 UNP 20 W +ATOM 145 C CE2 . TRP A 1 20 ? -0.252 -2.048 16.780 1.0 49.72 ? 20 TRP A CE2 1 O78126 UNP 20 W +ATOM 146 C CE3 . TRP A 1 20 ? -1.288 0.096 16.350 1.0 49.72 ? 20 TRP A CE3 1 O78126 UNP 20 W +ATOM 147 N NE1 . TRP A 1 20 ? 0.966 -2.475 17.244 1.0 49.72 ? 20 TRP A NE1 1 O78126 UNP 20 W +ATOM 148 C CH2 . TRP A 1 20 ? -2.502 -1.985 15.923 1.0 49.72 ? 20 TRP A CH2 1 O78126 UNP 20 W +ATOM 149 C CZ2 . TRP A 1 20 ? -1.389 -2.732 16.336 1.0 49.72 ? 20 TRP A CZ2 1 O78126 UNP 20 W +ATOM 150 C CZ3 . TRP A 1 20 ? -2.451 -0.579 15.943 1.0 49.72 ? 20 TRP A CZ3 1 O78126 UNP 20 W +ATOM 151 N N . ALA A 1 21 ? 4.090 3.438 17.752 1.0 55.84 ? 21 ALA A N 1 O78126 UNP 21 A +ATOM 152 C CA . ALA A 1 21 ? 4.404 4.858 17.688 1.0 55.84 ? 21 ALA A CA 1 O78126 UNP 21 A +ATOM 153 C C . ALA A 1 21 ? 5.683 5.132 16.874 1.0 55.84 ? 21 ALA A C 1 O78126 UNP 21 A +ATOM 154 C CB . ALA A 1 21 ? 4.456 5.418 19.115 1.0 55.84 ? 21 ALA A CB 1 O78126 UNP 21 A +ATOM 155 O O . ALA A 1 21 ? 6.802 4.935 17.358 1.0 55.84 ? 21 ALA A O 1 O78126 UNP 21 A +ATOM 156 N N . GLY A 1 22 ? 5.512 5.658 15.659 1.0 73.88 ? 22 GLY A N 1 O78126 UNP 22 G +ATOM 157 C CA . GLY A 1 22 ? 6.539 6.450 14.975 1.0 73.88 ? 22 GLY A CA 1 O78126 UNP 22 G +ATOM 158 C C . GLY A 1 22 ? 7.409 5.749 13.930 1.0 73.88 ? 22 GLY A C 1 O78126 UNP 22 G +ATOM 159 O O . GLY A 1 22 ? 8.395 6.342 13.504 1.0 73.88 ? 22 GLY A O 1 O78126 UNP 22 G +ATOM 160 N N . SER A 1 23 ? 7.103 4.527 13.490 1.0 90.12 ? 23 SER A N 1 O78126 UNP 23 S +ATOM 161 C CA . SER A 1 23 ? 7.714 4.009 12.254 1.0 90.12 ? 23 SER A CA 1 O78126 UNP 23 S +ATOM 162 C C . SER A 1 23 ? 6.944 4.492 11.031 1.0 90.12 ? 23 SER A C 1 O78126 UNP 23 S +ATOM 163 C CB . SER A 1 23 ? 7.811 2.486 12.243 1.0 90.12 ? 23 SER A CB 1 O78126 UNP 23 S +ATOM 164 O O . SER A 1 23 ? 5.719 4.516 11.062 1.0 90.12 ? 23 SER A O 1 O78126 UNP 23 S +ATOM 165 O OG . SER A 1 23 ? 6.534 1.889 12.293 1.0 90.12 ? 23 SER A OG 1 O78126 UNP 23 S +ATOM 166 N N . HIS A 1 24 ? 7.652 4.792 9.947 1.0 94.56 ? 24 HIS A N 1 O78126 UNP 24 H +ATOM 167 C CA . HIS A 1 24 ? 7.043 5.207 8.687 1.0 94.56 ? 24 HIS A CA 1 O78126 UNP 24 H +ATOM 168 C C . HIS A 1 24 ? 7.616 4.424 7.511 1.0 94.56 ? 24 HIS A C 1 O78126 UNP 24 H +ATOM 169 C CB . HIS A 1 24 ? 7.237 6.708 8.475 1.0 94.56 ? 24 HIS A CB 1 O78126 UNP 24 H +ATOM 170 O O . HIS A 1 24 ? 8.738 3.916 7.569 1.0 94.56 ? 24 HIS A O 1 O78126 UNP 24 H +ATOM 171 C CG . HIS A 1 24 ? 6.542 7.561 9.500 1.0 94.56 ? 24 HIS A CG 1 O78126 UNP 24 H +ATOM 172 C CD2 . HIS A 1 24 ? 7.097 8.169 10.595 1.0 94.56 ? 24 HIS A CD2 1 O78126 UNP 24 H +ATOM 173 N ND1 . HIS A 1 24 ? 5.207 7.878 9.492 1.0 94.56 ? 24 HIS A ND1 1 O78126 UNP 24 H +ATOM 174 C CE1 . HIS A 1 24 ? 4.955 8.651 10.558 1.0 94.56 ? 24 HIS A CE1 1 O78126 UNP 24 H +ATOM 175 N NE2 . HIS A 1 24 ? 6.087 8.885 11.249 1.0 94.56 ? 24 HIS A NE2 1 O78126 UNP 24 H +ATOM 176 N N . SER A 1 25 ? 6.876 4.364 6.412 1.0 97.19 ? 25 SER A N 1 O78126 UNP 25 S +ATOM 177 C CA . SER A 1 25 ? 7.281 3.662 5.199 1.0 97.19 ? 25 SER A CA 1 O78126 UNP 25 S +ATOM 178 C C . SER A 1 25 ? 6.972 4.457 3.936 1.0 97.19 ? 25 SER A C 1 O78126 UNP 25 S +ATOM 179 C CB . SER A 1 25 ? 6.635 2.276 5.157 1.0 97.19 ? 25 SER A CB 1 O78126 UNP 25 S +ATOM 180 O O . SER A 1 25 ? 6.013 5.220 3.870 1.0 97.19 ? 25 SER A O 1 O78126 UNP 25 S +ATOM 181 O OG . SER A 1 25 ? 5.235 2.369 4.987 1.0 97.19 ? 25 SER A OG 1 O78126 UNP 25 S +ATOM 182 N N . MET A 1 26 ? 7.778 4.249 2.895 1.0 98.50 ? 26 MET A N 1 O78126 UNP 26 M +ATOM 183 C CA . MET A 1 26 ? 7.467 4.678 1.532 1.0 98.50 ? 26 MET A CA 1 O78126 UNP 26 M +ATOM 184 C C . MET A 1 26 ? 7.456 3.458 0.631 1.0 98.50 ? 26 MET A C 1 O78126 UNP 26 M +ATOM 185 C CB . MET A 1 26 ? 8.493 5.688 1.009 1.0 98.50 ? 26 MET A CB 1 O78126 UNP 26 M +ATOM 186 O O . MET A 1 26 ? 8.478 2.776 0.531 1.0 98.50 ? 26 MET A O 1 O78126 UNP 26 M +ATOM 187 C CG . MET A 1 26 ? 8.054 6.268 -0.340 1.0 98.50 ? 26 MET A CG 1 O78126 UNP 26 M +ATOM 188 S SD . MET A 1 26 ? 9.076 7.634 -0.954 1.0 98.50 ? 26 MET A SD 1 O78126 UNP 26 M +ATOM 189 C CE . MET A 1 26 ? 10.710 6.861 -0.982 1.0 98.50 ? 26 MET A CE 1 O78126 UNP 26 M +ATOM 190 N N . ARG A 1 27 ? 6.344 3.198 -0.060 1.0 98.62 ? 27 ARG A N 1 O78126 UNP 27 R +ATOM 191 C CA . ARG A 1 27 ? 6.180 2.029 -0.935 1.0 98.62 ? 27 ARG A CA 1 O78126 UNP 27 R +ATOM 192 C C . ARG A 1 27 ? 5.648 2.434 -2.302 1.0 98.62 ? 27 ARG A C 1 O78126 UNP 27 R +ATOM 193 C CB . ARG A 1 27 ? 5.256 0.991 -0.272 1.0 98.62 ? 27 ARG A CB 1 O78126 UNP 27 R +ATOM 194 O O . ARG A 1 27 ? 4.677 3.176 -2.414 1.0 98.62 ? 27 ARG A O 1 O78126 UNP 27 R +ATOM 195 C CG . ARG A 1 27 ? 5.694 0.519 1.126 1.0 98.62 ? 27 ARG A CG 1 O78126 UNP 27 R +ATOM 196 C CD . ARG A 1 27 ? 7.052 -0.202 1.150 1.0 98.62 ? 27 ARG A CD 1 O78126 UNP 27 R +ATOM 197 N NE . ARG A 1 27 ? 7.419 -0.626 2.516 1.0 98.62 ? 27 ARG A NE 1 O78126 UNP 27 R +ATOM 198 N NH1 . ARG A 1 27 ? 6.023 -2.445 2.664 1.0 98.62 ? 27 ARG A NH1 1 O78126 UNP 27 R +ATOM 199 N NH2 . ARG A 1 27 ? 7.197 -1.836 4.427 1.0 98.62 ? 27 ARG A NH2 1 O78126 UNP 27 R +ATOM 200 C CZ . ARG A 1 27 ? 6.892 -1.629 3.190 1.0 98.62 ? 27 ARG A CZ 1 O78126 UNP 27 R +ATOM 201 N N . TYR A 1 28 ? 6.257 1.893 -3.348 1.0 98.75 ? 28 TYR A N 1 O78126 UNP 28 Y +ATOM 202 C CA . TYR A 1 28 ? 5.783 2.008 -4.721 1.0 98.75 ? 28 TYR A CA 1 O78126 UNP 28 Y +ATOM 203 C C . TYR A 1 28 ? 5.326 0.646 -5.228 1.0 98.75 ? 28 TYR A C 1 O78126 UNP 28 Y +ATOM 204 C CB . TYR A 1 28 ? 6.880 2.577 -5.616 1.0 98.75 ? 28 TYR A CB 1 O78126 UNP 28 Y +ATOM 205 O O . TYR A 1 28 ? 6.020 -0.357 -5.046 1.0 98.75 ? 28 TYR A O 1 O78126 UNP 28 Y +ATOM 206 C CG . TYR A 1 28 ? 7.209 4.030 -5.356 1.0 98.75 ? 28 TYR A CG 1 O78126 UNP 28 Y +ATOM 207 C CD1 . TYR A 1 28 ? 6.501 5.045 -6.028 1.0 98.75 ? 28 TYR A CD1 1 O78126 UNP 28 Y +ATOM 208 C CD2 . TYR A 1 28 ? 8.240 4.364 -4.457 1.0 98.75 ? 28 TYR A CD2 1 O78126 UNP 28 Y +ATOM 209 C CE1 . TYR A 1 28 ? 6.856 6.394 -5.832 1.0 98.75 ? 28 TYR A CE1 1 O78126 UNP 28 Y +ATOM 210 C CE2 . TYR A 1 28 ? 8.586 5.712 -4.250 1.0 98.75 ? 28 TYR A CE2 1 O78126 UNP 28 Y +ATOM 211 O OH . TYR A 1 28 ? 8.272 8.025 -4.801 1.0 98.75 ? 28 TYR A OH 1 O78126 UNP 28 Y +ATOM 212 C CZ . TYR A 1 28 ? 7.906 6.728 -4.953 1.0 98.75 ? 28 TYR A CZ 1 O78126 UNP 28 Y +ATOM 213 N N . PHE A 1 29 ? 4.184 0.629 -5.909 1.0 98.81 ? 29 PHE A N 1 O78126 UNP 29 F +ATOM 214 C CA . PHE A 1 29 ? 3.590 -0.563 -6.503 1.0 98.81 ? 29 PHE A CA 1 O78126 UNP 29 F +ATOM 215 C C . PHE A 1 29 ? 3.371 -0.330 -7.989 1.0 98.81 ? 29 PHE A C 1 O78126 UNP 29 F +ATOM 216 C CB . PHE A 1 29 ? 2.264 -0.908 -5.823 1.0 98.81 ? 29 PHE A CB 1 O78126 UNP 29 F +ATOM 217 O O . PHE A 1 29 ? 2.622 0.568 -8.383 1.0 98.81 ? 29 PHE A O 1 O78126 UNP 29 F +ATOM 218 C CG . PHE A 1 29 ? 2.362 -1.129 -4.333 1.0 98.81 ? 29 PHE A CG 1 O78126 UNP 29 F +ATOM 219 C CD1 . PHE A 1 29 ? 2.466 -2.434 -3.820 1.0 98.81 ? 29 PHE A CD1 1 O78126 UNP 29 F +ATOM 220 C CD2 . PHE A 1 29 ? 2.313 -0.029 -3.455 1.0 98.81 ? 29 PHE A CD2 1 O78126 UNP 29 F +ATOM 221 C CE1 . PHE A 1 29 ? 2.505 -2.638 -2.430 1.0 98.81 ? 29 PHE A CE1 1 O78126 UNP 29 F +ATOM 222 C CE2 . PHE A 1 29 ? 2.367 -0.234 -2.067 1.0 98.81 ? 29 PHE A CE2 1 O78126 UNP 29 F +ATOM 223 C CZ . PHE A 1 29 ? 2.463 -1.539 -1.555 1.0 98.81 ? 29 PHE A CZ 1 O78126 UNP 29 F +ATOM 224 N N . PHE A 1 30 ? 4.015 -1.145 -8.818 1.0 98.75 ? 30 PHE A N 1 O78126 UNP 30 F +ATOM 225 C CA . PHE A 1 30 ? 3.877 -1.106 -10.269 1.0 98.75 ? 30 PHE A CA 1 O78126 UNP 30 F +ATOM 226 C C . PHE A 1 30 ? 3.204 -2.381 -10.748 1.0 98.75 ? 30 PHE A C 1 O78126 UNP 30 F +ATOM 227 C CB . PHE A 1 30 ? 5.239 -0.928 -10.945 1.0 98.75 ? 30 PHE A CB 1 O78126 UNP 30 F +ATOM 228 O O . PHE A 1 30 ? 3.580 -3.475 -10.336 1.0 98.75 ? 30 PHE A O 1 O78126 UNP 30 F +ATOM 229 C CG . PHE A 1 30 ? 6.059 0.290 -10.558 1.0 98.75 ? 30 PHE A CG 1 O78126 UNP 30 F +ATOM 230 C CD1 . PHE A 1 30 ? 5.502 1.395 -9.884 1.0 98.75 ? 30 PHE A CD1 1 O78126 UNP 30 F +ATOM 231 C CD2 . PHE A 1 30 ? 7.422 0.311 -10.892 1.0 98.75 ? 30 PHE A CD2 1 O78126 UNP 30 F +ATOM 232 C CE1 . PHE A 1 30 ? 6.290 2.499 -9.531 1.0 98.75 ? 30 PHE A CE1 1 O78126 UNP 30 F +ATOM 233 C CE2 . PHE A 1 30 ? 8.210 1.420 -10.548 1.0 98.75 ? 30 PHE A CE2 1 O78126 UNP 30 F +ATOM 234 C CZ . PHE A 1 30 ? 7.645 2.520 -9.880 1.0 98.75 ? 30 PHE A CZ 1 O78126 UNP 30 F +ATOM 235 N N . THR A 1 31 ? 2.232 -2.244 -11.640 1.0 98.81 ? 31 THR A N 1 O78126 UNP 31 T +ATOM 236 C CA . THR A 1 31 ? 1.519 -3.362 -12.259 1.0 98.81 ? 31 THR A CA 1 O78126 UNP 31 T +ATOM 237 C C . THR A 1 31 ? 1.490 -3.157 -13.764 1.0 98.81 ? 31 THR A C 1 O78126 UNP 31 T +ATOM 238 C CB . THR A 1 31 ? 0.097 -3.483 -11.698 1.0 98.81 ? 31 THR A CB 1 O78126 UNP 31 T +ATOM 239 O O . THR A 1 31 ? 1.049 -2.113 -14.241 1.0 98.81 ? 31 THR A O 1 O78126 UNP 31 T +ATOM 240 C CG2 . THR A 1 31 ? -0.656 -4.679 -12.279 1.0 98.81 ? 31 THR A CG2 1 O78126 UNP 31 T +ATOM 241 O OG1 . THR A 1 31 ? 0.153 -3.670 -10.303 1.0 98.81 ? 31 THR A OG1 1 O78126 UNP 31 T +ATOM 242 N N . SER A 1 32 ? 1.952 -4.158 -14.508 1.0 98.62 ? 32 SER A N 1 O78126 UNP 32 S +ATOM 243 C CA . SER A 1 32 ? 1.875 -4.207 -15.965 1.0 98.62 ? 32 SER A CA 1 O78126 UNP 32 S +ATOM 244 C C . SER A 1 32 ? 1.046 -5.406 -16.392 1.0 98.62 ? 32 SER A C 1 O78126 UNP 32 S +ATOM 245 C CB . SER A 1 32 ? 3.268 -4.294 -16.575 1.0 98.62 ? 32 SER A CB 1 O78126 UNP 32 S +ATOM 246 O O . SER A 1 32 ? 1.347 -6.521 -15.974 1.0 98.62 ? 32 SER A O 1 O78126 UNP 32 S +ATOM 247 O OG . SER A 1 32 ? 3.207 -3.982 -17.952 1.0 98.62 ? 32 SER A OG 1 O78126 UNP 32 S +ATOM 248 N N . VAL A 1 33 ? 0.027 -5.187 -17.221 1.0 98.38 ? 33 VAL A N 1 O78126 UNP 33 V +ATOM 249 C CA . VAL A 1 33 ? -0.860 -6.240 -17.734 1.0 98.38 ? 33 VAL A CA 1 O78126 UNP 33 V +ATOM 250 C C . VAL A 1 33 ? -0.742 -6.278 -19.251 1.0 98.38 ? 33 VAL A C 1 O78126 UNP 33 V +ATOM 251 C CB . VAL A 1 33 ? -2.322 -6.017 -17.298 1.0 98.38 ? 33 VAL A CB 1 O78126 UNP 33 V +ATOM 252 O O . VAL A 1 33 ? -1.072 -5.292 -19.919 1.0 98.38 ? 33 VAL A O 1 O78126 UNP 33 V +ATOM 253 C CG1 . VAL A 1 33 ? -3.202 -7.201 -17.714 1.0 98.38 ? 33 VAL A CG1 1 O78126 UNP 33 V +ATOM 254 C CG2 . VAL A 1 33 ? -2.458 -5.851 -15.779 1.0 98.38 ? 33 VAL A CG2 1 O78126 UNP 33 V +ATOM 255 N N . SER A 1 34 ? -0.265 -7.392 -19.812 1.0 97.56 ? 34 SER A N 1 O78126 UNP 34 S +ATOM 256 C CA . SER A 1 34 ? -0.208 -7.568 -21.265 1.0 97.56 ? 34 SER A CA 1 O78126 UNP 34 S +ATOM 257 C C . SER A 1 34 ? -1.615 -7.650 -21.858 1.0 97.56 ? 34 SER A C 1 O78126 UNP 34 S +ATOM 258 C CB . SER A 1 34 ? 0.657 -8.765 -21.681 1.0 97.56 ? 34 SER A CB 1 O78126 UNP 34 S +ATOM 259 O O . SER A 1 34 ? -2.561 -8.096 -21.216 1.0 97.56 ? 34 SER A O 1 O78126 UNP 34 S +ATOM 260 O OG . SER A 1 34 ? 0.034 -9.992 -21.384 1.0 97.56 ? 34 SER A OG 1 O78126 UNP 34 S +ATOM 261 N N . ARG A 1 35 ? -1.778 -7.178 -23.097 1.0 96.19 ? 35 ARG A N 1 O78126 UNP 35 R +ATOM 262 C CA . ARG A 1 35 ? -3.080 -7.126 -23.775 1.0 96.19 ? 35 ARG A CA 1 O78126 UNP 35 R +ATOM 263 C C . ARG A 1 35 ? -2.963 -7.673 -25.202 1.0 96.19 ? 35 ARG A C 1 O78126 UNP 35 R +ATOM 264 C CB . ARG A 1 35 ? -3.624 -5.686 -23.721 1.0 96.19 ? 35 ARG A CB 1 O78126 UNP 35 R +ATOM 265 O O . ARG A 1 35 ? -2.985 -6.883 -26.148 1.0 96.19 ? 35 ARG A O 1 O78126 UNP 35 R +ATOM 266 C CG . ARG A 1 35 ? -3.864 -5.167 -22.298 1.0 96.19 ? 35 ARG A CG 1 O78126 UNP 35 R +ATOM 267 C CD . ARG A 1 35 ? -4.498 -3.771 -22.316 1.0 96.19 ? 35 ARG A CD 1 O78126 UNP 35 R +ATOM 268 N NE . ARG A 1 35 ? -3.530 -2.696 -22.622 1.0 96.19 ? 35 ARG A NE 1 O78126 UNP 35 R +ATOM 269 N NH1 . ARG A 1 35 ? -4.860 -0.939 -22.007 1.0 96.19 ? 35 ARG A NH1 1 O78126 UNP 35 R +ATOM 270 N NH2 . ARG A 1 35 ? -2.731 -0.560 -22.464 1.0 96.19 ? 35 ARG A NH2 1 O78126 UNP 35 R +ATOM 271 C CZ . ARG A 1 35 ? -3.708 -1.408 -22.379 1.0 96.19 ? 35 ARG A CZ 1 O78126 UNP 35 R +ATOM 272 N N . PRO A 1 36 ? -2.806 -9.000 -25.385 1.0 91.94 ? 36 PRO A N 1 O78126 UNP 36 P +ATOM 273 C CA . PRO A 1 36 ? -2.623 -9.596 -26.708 1.0 91.94 ? 36 PRO A CA 1 O78126 UNP 36 P +ATOM 274 C C . PRO A 1 36 ? -3.687 -9.125 -27.708 1.0 91.94 ? 36 PRO A C 1 O78126 UNP 36 P +ATOM 275 C CB . PRO A 1 36 ? -2.677 -11.110 -26.498 1.0 91.94 ? 36 PRO A CB 1 O78126 UNP 36 P +ATOM 276 O O . PRO A 1 36 ? -4.885 -9.171 -27.428 1.0 91.94 ? 36 PRO A O 1 O78126 UNP 36 P +ATOM 277 C CG . PRO A 1 36 ? -2.219 -11.280 -25.053 1.0 91.94 ? 36 PRO A CG 1 O78126 UNP 36 P +ATOM 278 C CD . PRO A 1 36 ? -2.772 -10.038 -24.359 1.0 91.94 ? 36 PRO A CD 1 O78126 UNP 36 P +ATOM 279 N N . GLY A 1 37 ? -3.247 -8.613 -28.860 1.0 90.06 ? 37 GLY A N 1 O78126 UNP 37 G +ATOM 280 C CA . GLY A 1 37 ? -4.132 -8.095 -29.911 1.0 90.06 ? 37 GLY A CA 1 O78126 UNP 37 G +ATOM 281 C C . GLY A 1 37 ? -4.853 -6.775 -29.593 1.0 90.06 ? 37 GLY A C 1 O78126 UNP 37 G +ATOM 282 O O . GLY A 1 37 ? -5.681 -6.341 -30.389 1.0 90.06 ? 37 GLY A O 1 O78126 UNP 37 G +ATOM 283 N N . ARG A 1 38 ? -4.564 -6.123 -28.457 1.0 91.81 ? 38 ARG A N 1 O78126 UNP 38 R +ATOM 284 C CA . ARG A 1 38 ? -5.210 -4.868 -28.018 1.0 91.81 ? 38 ARG A CA 1 O78126 UNP 38 R +ATOM 285 C C . ARG A 1 38 ? -4.205 -3.752 -27.694 1.0 91.81 ? 38 ARG A C 1 O78126 UNP 38 R +ATOM 286 C CB . ARG A 1 38 ? -6.163 -5.149 -26.846 1.0 91.81 ? 38 ARG A CB 1 O78126 UNP 38 R +ATOM 287 O O . ARG A 1 38 ? -4.517 -2.843 -26.930 1.0 91.81 ? 38 ARG A O 1 O78126 UNP 38 R +ATOM 288 C CG . ARG A 1 38 ? -7.292 -6.133 -27.169 1.0 91.81 ? 38 ARG A CG 1 O78126 UNP 38 R +ATOM 289 C CD . ARG A 1 38 ? -8.183 -6.290 -25.932 1.0 91.81 ? 38 ARG A CD 1 O78126 UNP 38 R +ATOM 290 N NE . ARG A 1 38 ? -9.282 -7.240 -26.173 1.0 91.81 ? 38 ARG A NE 1 O78126 UNP 38 R +ATOM 291 N NH1 . ARG A 1 38 ? -10.365 -6.962 -24.167 1.0 91.81 ? 38 ARG A NH1 1 O78126 UNP 38 R +ATOM 292 N NH2 . ARG A 1 38 ? -11.180 -8.392 -25.673 1.0 91.81 ? 38 ARG A NH2 1 O78126 UNP 38 R +ATOM 293 C CZ . ARG A 1 38 ? -10.267 -7.525 -25.340 1.0 91.81 ? 38 ARG A CZ 1 O78126 UNP 38 R +ATOM 294 N N . GLY A 1 39 ? -3.014 -3.818 -28.289 1.0 91.25 ? 39 GLY A N 1 O78126 UNP 39 G +ATOM 295 C CA . GLY A 1 39 ? -1.957 -2.815 -28.149 1.0 91.25 ? 39 GLY A CA 1 O78126 UNP 39 G +ATOM 296 C C . GLY A 1 39 ? -0.945 -3.126 -27.046 1.0 91.25 ? 39 GLY A C 1 O78126 UNP 39 G +ATOM 297 O O . GLY A 1 39 ? -0.751 -4.276 -26.655 1.0 91.25 ? 39 GLY A O 1 O78126 UNP 39 G +ATOM 298 N N . GLU A 1 40 ? -0.269 -2.080 -26.576 1.0 94.25 ? 40 GLU A N 1 O78126 UNP 40 E +ATOM 299 C CA . GLU A 1 40 ? 0.777 -2.175 -25.555 1.0 94.25 ? 40 GLU A CA 1 O78126 UNP 40 E +ATOM 300 C C . GLU A 1 40 ? 0.212 -2.603 -24.184 1.0 94.25 ? 40 GLU A C 1 O78126 UNP 40 E +ATOM 301 C CB . GLU A 1 40 ? 1.500 -0.822 -25.443 1.0 94.25 ? 40 GLU A CB 1 O78126 UNP 40 E +ATOM 302 O O . GLU A 1 40 ? -0.953 -2.313 -23.872 1.0 94.25 ? 40 GLU A O 1 O78126 UNP 40 E +ATOM 303 C CG . GLU A 1 40 ? 2.331 -0.472 -26.694 1.0 94.25 ? 40 GLU A CG 1 O78126 UNP 40 E +ATOM 304 C CD . GLU A 1 40 ? 3.550 -1.385 -26.896 1.0 94.25 ? 40 GLU A CD 1 O78126 UNP 40 E +ATOM 305 O OE1 . GLU A 1 40 ? 4.119 -1.416 -28.006 1.0 94.25 ? 40 GLU A OE1 1 O78126 UNP 40 E +ATOM 306 O OE2 . GLU A 1 40 ? 4.002 -2.013 -25.918 1.0 94.25 ? 40 GLU A OE2 1 O78126 UNP 40 E +ATOM 307 N N . PRO A 1 41 ? 1.013 -3.266 -23.324 1.0 97.00 ? 41 PRO A N 1 O78126 UNP 41 P +ATOM 308 C CA . PRO A 1 41 ? 0.611 -3.566 -21.954 1.0 97.00 ? 41 PRO A CA 1 O78126 UNP 41 P +ATOM 309 C C . PRO A 1 41 ? 0.141 -2.315 -21.205 1.0 97.00 ? 41 PRO A C 1 O78126 UNP 41 P +ATOM 310 C CB . PRO A 1 41 ? 1.841 -4.181 -21.281 1.0 97.00 ? 41 PRO A CB 1 O78126 UNP 41 P +ATOM 311 O O . PRO A 1 41 ? 0.722 -1.240 -21.358 1.0 97.00 ? 41 PRO A O 1 O78126 UNP 41 P +ATOM 312 C CG . PRO A 1 41 ? 2.621 -4.773 -22.452 1.0 97.00 ? 41 PRO A CG 1 O78126 UNP 41 P +ATOM 313 C CD . PRO A 1 41 ? 2.357 -3.771 -23.573 1.0 97.00 ? 41 PRO A CD 1 O78126 UNP 41 P +ATOM 314 N N . ARG A 1 42 ? -0.907 -2.446 -20.384 1.0 98.06 ? 42 ARG A N 1 O78126 UNP 42 R +ATOM 315 C CA . ARG A 1 42 ? -1.309 -1.354 -19.489 1.0 98.06 ? 42 ARG A CA 1 O78126 UNP 42 R +ATOM 316 C C . ARG A 1 42 ? -0.358 -1.327 -18.309 1.0 98.06 ? 42 ARG A C 1 O78126 UNP 42 R +ATOM 317 C CB . ARG A 1 42 ? -2.753 -1.505 -18.996 1.0 98.06 ? 42 ARG A CB 1 O78126 UNP 42 R +ATOM 318 O O . ARG A 1 42 ? -0.228 -2.342 -17.634 1.0 98.06 ? 42 ARG A O 1 O78126 UNP 42 R +ATOM 319 C CG . ARG A 1 42 ? -3.194 -0.229 -18.260 1.0 98.06 ? 42 ARG A CG 1 O78126 UNP 42 R +ATOM 320 C CD . ARG A 1 42 ? -4.665 -0.336 -17.873 1.0 98.06 ? 42 ARG A CD 1 O78126 UNP 42 R +ATOM 321 N NE . ARG A 1 42 ? -5.121 0.845 -17.120 1.0 98.06 ? 42 ARG A NE 1 O78126 UNP 42 R +ATOM 322 N NH1 . ARG A 1 42 ? -7.258 0.090 -16.770 1.0 98.06 ? 42 ARG A NH1 1 O78126 UNP 42 R +ATOM 323 N NH2 . ARG A 1 42 ? -6.629 2.046 -15.917 1.0 98.06 ? 42 ARG A NH2 1 O78126 UNP 42 R +ATOM 324 C CZ . ARG A 1 42 ? -6.326 0.992 -16.609 1.0 98.06 ? 42 ARG A CZ 1 O78126 UNP 42 R +ATOM 325 N N . PHE A 1 43 ? 0.241 -0.178 -18.033 1.0 98.62 ? 43 PHE A N 1 O78126 UNP 43 F +ATOM 326 C CA . PHE A 1 43 ? 1.122 0.027 -16.894 1.0 98.62 ? 43 PHE A CA 1 O78126 UNP 43 F +ATOM 327 C C . PHE A 1 43 ? 0.511 1.038 -15.922 1.0 98.62 ? 43 PHE A C 1 O78126 UNP 43 F +ATOM 328 C CB . PHE A 1 43 ? 2.503 0.448 -17.395 1.0 98.62 ? 43 PHE A CB 1 O78126 UNP 43 F +ATOM 329 O O . PHE A 1 43 ? 0.208 2.171 -16.296 1.0 98.62 ? 43 PHE A O 1 O78126 UNP 43 F +ATOM 330 C CG . PHE A 1 43 ? 3.506 0.629 -16.279 1.0 98.62 ? 43 PHE A CG 1 O78126 UNP 43 F +ATOM 331 C CD1 . PHE A 1 43 ? 3.673 1.889 -15.683 1.0 98.62 ? 43 PHE A CD1 1 O78126 UNP 43 F +ATOM 332 C CD2 . PHE A 1 43 ? 4.255 -0.467 -15.816 1.0 98.62 ? 43 PHE A CD2 1 O78126 UNP 43 F +ATOM 333 C CE1 . PHE A 1 43 ? 4.596 2.051 -14.640 1.0 98.62 ? 43 PHE A CE1 1 O78126 UNP 43 F +ATOM 334 C CE2 . PHE A 1 43 ? 5.189 -0.296 -14.780 1.0 98.62 ? 43 PHE A CE2 1 O78126 UNP 43 F +ATOM 335 C CZ . PHE A 1 43 ? 5.364 0.967 -14.194 1.0 98.62 ? 43 PHE A CZ 1 O78126 UNP 43 F +ATOM 336 N N . ILE A 1 44 ? 0.351 0.625 -14.668 1.0 98.75 ? 44 ILE A N 1 O78126 UNP 44 I +ATOM 337 C CA . ILE A 1 44 ? -0.132 1.459 -13.568 1.0 98.75 ? 44 ILE A CA 1 O78126 UNP 44 I +ATOM 338 C C . ILE A 1 44 ? 0.949 1.484 -12.494 1.0 98.75 ? 44 ILE A C 1 O78126 UNP 44 I +ATOM 339 C CB . ILE A 1 44 ? -1.481 0.941 -13.017 1.0 98.75 ? 44 ILE A CB 1 O78126 UNP 44 I +ATOM 340 O O . ILE A 1 44 ? 1.454 0.435 -12.094 1.0 98.75 ? 44 ILE A O 1 O78126 UNP 44 I +ATOM 341 C CG1 . ILE A 1 44 ? -2.561 0.916 -14.125 1.0 98.75 ? 44 ILE A CG1 1 O78126 UNP 44 I +ATOM 342 C CG2 . ILE A 1 44 ? -1.947 1.810 -11.830 1.0 98.75 ? 44 ILE A CG2 1 O78126 UNP 44 I +ATOM 343 C CD1 . ILE A 1 44 ? -3.864 0.232 -13.693 1.0 98.75 ? 44 ILE A CD1 1 O78126 UNP 44 I +ATOM 344 N N . ALA A 1 45 ? 1.271 2.675 -12.001 1.0 98.75 ? 45 ALA A N 1 O78126 UNP 45 A +ATOM 345 C CA . ALA A 1 45 ? 2.154 2.862 -10.860 1.0 98.75 ? 45 ALA A CA 1 O78126 UNP 45 A +ATOM 346 C C . ALA A 1 45 ? 1.471 3.719 -9.799 1.0 98.75 ? 45 ALA A C 1 O78126 UNP 45 A +ATOM 347 C CB . ALA A 1 45 ? 3.475 3.469 -11.332 1.0 98.75 ? 45 ALA A CB 1 O78126 UNP 45 A +ATOM 348 O O . ALA A 1 45 ? 0.821 4.713 -10.123 1.0 98.75 ? 45 ALA A O 1 O78126 UNP 45 A +ATOM 349 N N . VAL A 1 46 ? 1.624 3.338 -8.535 1.0 98.81 ? 46 VAL A N 1 O78126 UNP 46 V +ATOM 350 C CA . VAL A 1 46 ? 1.131 4.096 -7.381 1.0 98.81 ? 46 VAL A CA 1 O78126 UNP 46 V +ATOM 351 C C . VAL A 1 46 ? 2.208 4.155 -6.303 1.0 98.81 ? 46 VAL A C 1 O78126 UNP 46 V +ATOM 352 C CB . VAL A 1 46 ? -0.194 3.527 -6.834 1.0 98.81 ? 46 VAL A CB 1 O78126 UNP 46 V +ATOM 353 O O . VAL A 1 46 ? 2.980 3.209 -6.151 1.0 98.81 ? 46 VAL A O 1 O78126 UNP 46 V +ATOM 354 C CG1 . VAL A 1 46 ? -1.312 3.618 -7.884 1.0 98.81 ? 46 VAL A CG1 1 O78126 UNP 46 V +ATOM 355 C CG2 . VAL A 1 46 ? -0.095 2.068 -6.382 1.0 98.81 ? 46 VAL A CG2 1 O78126 UNP 46 V +ATOM 356 N N . GLY A 1 47 ? 2.271 5.272 -5.585 1.0 98.62 ? 47 GLY A N 1 O78126 UNP 47 G +ATOM 357 C CA . GLY A 1 47 ? 3.179 5.479 -4.458 1.0 98.62 ? 47 GLY A CA 1 O78126 UNP 47 G +ATOM 358 C C . GLY A 1 47 ? 2.399 5.837 -3.200 1.0 98.62 ? 47 GLY A C 1 O78126 UNP 47 G +ATOM 359 O O . GLY A 1 47 ? 1.449 6.621 -3.268 1.0 98.62 ? 47 GLY A O 1 O78126 UNP 47 G +ATOM 360 N N . TYR A 1 48 ? 2.816 5.262 -2.079 1.0 98.50 ? 48 TYR A N 1 O78126 UNP 48 Y +ATOM 361 C CA . TYR A 1 48 ? 2.256 5.471 -0.750 1.0 98.50 ? 48 TYR A CA 1 O78126 UNP 48 Y +ATOM 362 C C . TYR A 1 48 ? 3.348 5.911 0.224 1.0 98.50 ? 48 TYR A C 1 O78126 UNP 48 Y +ATOM 363 C CB . TYR A 1 48 ? 1.577 4.187 -0.261 1.0 98.50 ? 48 TYR A CB 1 O78126 UNP 48 Y +ATOM 364 O O . TYR A 1 48 ? 4.473 5.405 0.164 1.0 98.50 ? 48 TYR A O 1 O78126 UNP 48 Y +ATOM 365 C CG . TYR A 1 48 ? 0.249 3.908 -0.934 1.0 98.50 ? 48 TYR A CG 1 O78126 UNP 48 Y +ATOM 366 C CD1 . TYR A 1 48 ? -0.946 4.193 -0.250 1.0 98.50 ? 48 TYR A CD1 1 O78126 UNP 48 Y +ATOM 367 C CD2 . TYR A 1 48 ? 0.204 3.369 -2.234 1.0 98.50 ? 48 TYR A CD2 1 O78126 UNP 48 Y +ATOM 368 C CE1 . TYR A 1 48 ? -2.189 3.968 -0.867 1.0 98.50 ? 48 TYR A CE1 1 O78126 UNP 48 Y +ATOM 369 C CE2 . TYR A 1 48 ? -1.037 3.151 -2.861 1.0 98.50 ? 48 TYR A CE2 1 O78126 UNP 48 Y +ATOM 370 O OH . TYR A 1 48 ? -3.424 3.272 -2.808 1.0 98.50 ? 48 TYR A OH 1 O78126 UNP 48 Y +ATOM 371 C CZ . TYR A 1 48 ? -2.233 3.457 -2.182 1.0 98.50 ? 48 TYR A CZ 1 O78126 UNP 48 Y +ATOM 372 N N . VAL A 1 49 ? 2.994 6.842 1.107 1.0 97.88 ? 49 VAL A N 1 O78126 UNP 49 V +ATOM 373 C CA . VAL A 1 49 ? 3.676 7.034 2.389 1.0 97.88 ? 49 VAL A CA 1 O78126 UNP 49 V +ATOM 374 C C . VAL A 1 49 ? 2.714 6.530 3.451 1.0 97.88 ? 49 VAL A C 1 O78126 UNP 49 V +ATOM 375 C CB . VAL A 1 49 ? 4.090 8.492 2.641 1.0 97.88 ? 49 VAL A CB 1 O78126 UNP 49 V +ATOM 376 O O . VAL A 1 49 ? 1.579 7.007 3.516 1.0 97.88 ? 49 VAL A O 1 O78126 UNP 49 V +ATOM 377 C CG1 . VAL A 1 49 ? 4.718 8.641 4.032 1.0 97.88 ? 49 VAL A CG1 1 O78126 UNP 49 V +ATOM 378 C CG2 . VAL A 1 49 ? 5.127 8.942 1.601 1.0 97.88 ? 49 VAL A CG2 1 O78126 UNP 49 V +ATOM 379 N N . ASP A 1 50 ? 3.146 5.528 4.209 1.0 94.81 ? 50 ASP A N 1 O78126 UNP 50 D +ATOM 380 C CA . ASP A 1 50 ? 2.286 4.739 5.092 1.0 94.81 ? 50 ASP A CA 1 O78126 UNP 50 D +ATOM 381 C C . ASP A 1 50 ? 1.029 4.271 4.339 1.0 94.81 ? 50 ASP A C 1 O78126 UNP 50 D +ATOM 382 C CB . ASP A 1 50 ? 2.032 5.519 6.398 1.0 94.81 ? 50 ASP A CB 1 O78126 UNP 50 D +ATOM 383 O O . ASP A 1 50 ? 1.131 3.671 3.266 1.0 94.81 ? 50 ASP A O 1 O78126 UNP 50 D +ATOM 384 C CG . ASP A 1 50 ? 3.347 5.947 7.049 1.0 94.81 ? 50 ASP A CG 1 O78126 UNP 50 D +ATOM 385 O OD1 . ASP A 1 50 ? 4.311 5.147 6.989 1.0 94.81 ? 50 ASP A OD1 1 O78126 UNP 50 D +ATOM 386 O OD2 . ASP A 1 50 ? 3.423 7.094 7.539 1.0 94.81 ? 50 ASP A OD2 1 O78126 UNP 50 D +ATOM 387 N N . ASP A 1 51 ? -0.156 4.605 4.844 1.0 93.62 ? 51 ASP A N 1 O78126 UNP 51 D +ATOM 388 C CA . ASP A 1 51 ? -1.432 4.235 4.235 1.0 93.62 ? 51 ASP A CA 1 O78126 UNP 51 D +ATOM 389 C C . ASP A 1 51 ? -2.001 5.317 3.292 1.0 93.62 ? 51 ASP A C 1 O78126 UNP 51 D +ATOM 390 C CB . ASP A 1 51 ? -2.417 3.856 5.340 1.0 93.62 ? 51 ASP A CB 1 O78126 UNP 51 D +ATOM 391 O O . ASP A 1 51 ? -3.129 5.205 2.801 1.0 93.62 ? 51 ASP A O 1 O78126 UNP 51 D +ATOM 392 C CG . ASP A 1 51 ? -1.889 2.767 6.270 1.0 93.62 ? 51 ASP A CG 1 O78126 UNP 51 D +ATOM 393 O OD1 . ASP A 1 51 ? -1.552 1.683 5.744 1.0 93.62 ? 51 ASP A OD1 1 O78126 UNP 51 D +ATOM 394 O OD2 . ASP A 1 51 ? -1.910 3.016 7.497 1.0 93.62 ? 51 ASP A OD2 1 O78126 UNP 51 D +ATOM 395 N N . THR A 1 52 ? -1.232 6.376 3.007 1.0 95.50 ? 52 THR A N 1 O78126 UNP 52 T +ATOM 396 C CA . THR A 1 52 ? -1.674 7.525 2.202 1.0 95.50 ? 52 THR A CA 1 O78126 UNP 52 T +ATOM 397 C C . THR A 1 52 ? -1.062 7.505 0.803 1.0 95.50 ? 52 THR A C 1 O78126 UNP 52 T +ATOM 398 C CB . THR A 1 52 ? -1.366 8.851 2.910 1.0 95.50 ? 52 THR A CB 1 O78126 UNP 52 T +ATOM 399 O O . THR A 1 52 ? 0.146 7.678 0.619 1.0 95.50 ? 52 THR A O 1 O78126 UNP 52 T +ATOM 400 C CG2 . THR A 1 52 ? -1.884 10.059 2.122 1.0 95.50 ? 52 THR A CG2 1 O78126 UNP 52 T +ATOM 401 O OG1 . THR A 1 52 ? -2.031 8.904 4.150 1.0 95.50 ? 52 THR A OG1 1 O78126 UNP 52 T +ATOM 402 N N . GLN A 1 53 ? -1.908 7.354 -0.220 1.0 97.12 ? 53 GLN A N 1 O78126 UNP 53 Q +ATOM 403 C CA . GLN A 1 53 ? -1.471 7.454 -1.612 1.0 97.12 ? 53 GLN A CA 1 O78126 UNP 53 Q +ATOM 404 C C . GLN A 1 53 ? -1.069 8.893 -1.943 1.0 97.12 ? 53 GLN A C 1 O78126 UNP 53 Q +ATOM 405 C CB . GLN A 1 53 ? -2.576 6.997 -2.577 1.0 97.12 ? 53 GLN A CB 1 O78126 UNP 53 Q +ATOM 406 O O . GLN A 1 53 ? -1.863 9.811 -1.756 1.0 97.12 ? 53 GLN A O 1 O78126 UNP 53 Q +ATOM 407 C CG . GLN A 1 53 ? -1.972 6.802 -3.973 1.0 97.12 ? 53 GLN A CG 1 O78126 UNP 53 Q +ATOM 408 C CD . GLN A 1 53 ? -2.957 6.346 -5.035 1.0 97.12 ? 53 GLN A CD 1 O78126 UNP 53 Q +ATOM 409 N NE2 . GLN A 1 53 ? -2.473 6.159 -6.240 1.0 97.12 ? 53 GLN A NE2 1 O78126 UNP 53 Q +ATOM 410 O OE1 . GLN A 1 53 ? -4.150 6.168 -4.860 1.0 97.12 ? 53 GLN A OE1 1 O78126 UNP 53 Q +ATOM 411 N N . PHE A 1 54 ? 0.115 9.093 -2.524 1.0 98.06 ? 54 PHE A N 1 O78126 UNP 54 F +ATOM 412 C CA . PHE A 1 54 ? 0.591 10.435 -2.879 1.0 98.06 ? 54 PHE A CA 1 O78126 UNP 54 F +ATOM 413 C C . PHE A 1 54 ? 0.864 10.631 -4.366 1.0 98.06 ? 54 PHE A C 1 O78126 UNP 54 F +ATOM 414 C CB . PHE A 1 54 ? 1.802 10.784 -2.027 1.0 98.06 ? 54 PHE A CB 1 O78126 UNP 54 F +ATOM 415 O O . PHE A 1 54 ? 0.782 11.758 -4.846 1.0 98.06 ? 54 PHE A O 1 O78126 UNP 54 F +ATOM 416 C CG . PHE A 1 54 ? 3.095 10.100 -2.414 1.0 98.06 ? 54 PHE A CG 1 O78126 UNP 54 F +ATOM 417 C CD1 . PHE A 1 54 ? 3.360 8.795 -1.970 1.0 98.06 ? 54 PHE A CD1 1 O78126 UNP 54 F +ATOM 418 C CD2 . PHE A 1 54 ? 4.058 10.791 -3.166 1.0 98.06 ? 54 PHE A CD2 1 O78126 UNP 54 F +ATOM 419 C CE1 . PHE A 1 54 ? 4.578 8.176 -2.294 1.0 98.06 ? 54 PHE A CE1 1 O78126 UNP 54 F +ATOM 420 C CE2 . PHE A 1 54 ? 5.267 10.168 -3.514 1.0 98.06 ? 54 PHE A CE2 1 O78126 UNP 54 F +ATOM 421 C CZ . PHE A 1 54 ? 5.525 8.864 -3.064 1.0 98.06 ? 54 PHE A CZ 1 O78126 UNP 54 F +ATOM 422 N N . VAL A 1 55 ? 1.106 9.558 -5.124 1.0 98.50 ? 55 VAL A N 1 O78126 UNP 55 V +ATOM 423 C CA . VAL A 1 55 ? 1.297 9.639 -6.579 1.0 98.50 ? 55 VAL A CA 1 O78126 UNP 55 V +ATOM 424 C C . VAL A 1 55 ? 0.615 8.503 -7.330 1.0 98.50 ? 55 VAL A C 1 O78126 UNP 55 V +ATOM 425 C CB . VAL A 1 55 ? 2.782 9.736 -6.981 1.0 98.50 ? 55 VAL A CB 1 O78126 UNP 55 V +ATOM 426 O O . VAL A 1 55 ? 0.403 7.400 -6.805 1.0 98.50 ? 55 VAL A O 1 O78126 UNP 55 V +ATOM 427 C CG1 . VAL A 1 55 ? 3.379 11.105 -6.654 1.0 98.50 ? 55 VAL A CG1 1 O78126 UNP 55 V +ATOM 428 C CG2 . VAL A 1 55 ? 3.645 8.617 -6.394 1.0 98.50 ? 55 VAL A CG2 1 O78126 UNP 55 V +ATOM 429 N N . ARG A 1 56 ? 0.270 8.779 -8.589 1.0 98.56 ? 56 ARG A N 1 O78126 UNP 56 R +ATOM 430 C CA . ARG A 1 56 ? -0.261 7.801 -9.540 1.0 98.56 ? 56 ARG A CA 1 O78126 UNP 56 R +ATOM 431 C C . ARG A 1 56 ? 0.219 8.088 -10.960 1.0 98.56 ? 56 ARG A C 1 O78126 UNP 56 R +ATOM 432 C CB . ARG A 1 56 ? -1.795 7.805 -9.463 1.0 98.56 ? 56 ARG A CB 1 O78126 UNP 56 R +ATOM 433 O O . ARG A 1 56 ? 0.251 9.232 -11.392 1.0 98.56 ? 56 ARG A O 1 O78126 UNP 56 R +ATOM 434 C CG . ARG A 1 56 ? -2.428 6.797 -10.432 1.0 98.56 ? 56 ARG A CG 1 O78126 UNP 56 R +ATOM 435 C CD . ARG A 1 56 ? -3.941 6.699 -10.246 1.0 98.56 ? 56 ARG A CD 1 O78126 UNP 56 R +ATOM 436 N NE . ARG A 1 56 ? -4.543 5.915 -11.343 1.0 98.56 ? 56 ARG A NE 1 O78126 UNP 56 R +ATOM 437 N NH1 . ARG A 1 56 ? -5.059 4.013 -10.163 1.0 98.56 ? 56 ARG A NH1 1 O78126 UNP 56 R +ATOM 438 N NH2 . ARG A 1 56 ? -5.384 4.060 -12.370 1.0 98.56 ? 56 ARG A NH2 1 O78126 UNP 56 R +ATOM 439 C CZ . ARG A 1 56 ? -4.995 4.675 -11.287 1.0 98.56 ? 56 ARG A CZ 1 O78126 UNP 56 R +ATOM 440 N N . PHE A 1 57 ? 0.473 7.026 -11.712 1.0 98.75 ? 57 PHE A N 1 O78126 UNP 57 F +ATOM 441 C CA . PHE A 1 57 ? 0.640 7.044 -13.161 1.0 98.75 ? 57 PHE A CA 1 O78126 UNP 57 F +ATOM 442 C C . PHE A 1 57 ? -0.221 5.945 -13.796 1.0 98.75 ? 57 PHE A C 1 O78126 UNP 57 F +ATOM 443 C CB . PHE A 1 57 ? 2.124 6.860 -13.486 1.0 98.75 ? 57 PHE A CB 1 O78126 UNP 57 F +ATOM 444 O O . PHE A 1 57 ? -0.337 4.846 -13.249 1.0 98.75 ? 57 PHE A O 1 O78126 UNP 57 F +ATOM 445 C CG . PHE A 1 57 ? 2.441 6.745 -14.961 1.0 98.75 ? 57 PHE A CG 1 O78126 UNP 57 F +ATOM 446 C CD1 . PHE A 1 57 ? 2.346 5.504 -15.619 1.0 98.75 ? 57 PHE A CD1 1 O78126 UNP 57 F +ATOM 447 C CD2 . PHE A 1 57 ? 2.837 7.884 -15.678 1.0 98.75 ? 57 PHE A CD2 1 O78126 UNP 57 F +ATOM 448 C CE1 . PHE A 1 57 ? 2.627 5.413 -16.994 1.0 98.75 ? 57 PHE A CE1 1 O78126 UNP 57 F +ATOM 449 C CE2 . PHE A 1 57 ? 3.140 7.789 -17.045 1.0 98.75 ? 57 PHE A CE2 1 O78126 UNP 57 F +ATOM 450 C CZ . PHE A 1 57 ? 3.023 6.556 -17.708 1.0 98.75 ? 57 PHE A CZ 1 O78126 UNP 57 F +ATOM 451 N N . ASP A 1 58 ? -0.797 6.231 -14.962 1.0 98.56 ? 58 ASP A N 1 O78126 UNP 58 D +ATOM 452 C CA . ASP A 1 58 ? -1.547 5.274 -15.780 1.0 98.56 ? 58 ASP A CA 1 O78126 UNP 58 D +ATOM 453 C C . ASP A 1 58 ? -1.157 5.460 -17.251 1.0 98.56 ? 58 ASP A C 1 O78126 UNP 58 D +ATOM 454 C CB . ASP A 1 58 ? -3.051 5.494 -15.553 1.0 98.56 ? 58 ASP A CB 1 O78126 UNP 58 D +ATOM 455 O O . ASP A 1 58 ? -1.295 6.555 -17.799 1.0 98.56 ? 58 ASP A O 1 O78126 UNP 58 D +ATOM 456 C CG . ASP A 1 58 ? -3.934 4.322 -15.993 1.0 98.56 ? 58 ASP A CG 1 O78126 UNP 58 D +ATOM 457 O OD1 . ASP A 1 58 ? -3.600 3.585 -16.949 1.0 98.56 ? 58 ASP A OD1 1 O78126 UNP 58 D +ATOM 458 O OD2 . ASP A 1 58 ? -4.958 4.107 -15.297 1.0 98.56 ? 58 ASP A OD2 1 O78126 UNP 58 D +ATOM 459 N N . SER A 1 59 ? -0.657 4.405 -17.898 1.0 98.00 ? 59 SER A N 1 O78126 UNP 59 S +ATOM 460 C CA . SER A 1 59 ? -0.231 4.465 -19.303 1.0 98.00 ? 59 SER A CA 1 O78126 UNP 59 S +ATOM 461 C C . SER A 1 59 ? -1.377 4.776 -20.265 1.0 98.00 ? 59 SER A C 1 O78126 UNP 59 S +ATOM 462 C CB . SER A 1 59 ? 0.411 3.141 -19.724 1.0 98.00 ? 59 SER A CB 1 O78126 UNP 59 S +ATOM 463 O O . SER A 1 59 ? -1.130 5.267 -21.364 1.0 98.00 ? 59 SER A O 1 O78126 UNP 59 S +ATOM 464 O OG . SER A 1 59 ? -0.523 2.075 -19.669 1.0 98.00 ? 59 SER A OG 1 O78126 UNP 59 S +ATOM 465 N N . ASP A 1 60 ? -2.615 4.480 -19.863 1.0 97.12 ? 60 ASP A N 1 O78126 UNP 60 D +ATOM 466 C CA . ASP A 1 60 ? -3.807 4.725 -20.677 1.0 97.12 ? 60 ASP A CA 1 O78126 UNP 60 D +ATOM 467 C C . ASP A 1 60 ? -4.367 6.149 -20.480 1.0 97.12 ? 60 ASP A C 1 O78126 UNP 60 D +ATOM 468 C CB . ASP A 1 60 ? -4.870 3.655 -20.370 1.0 97.12 ? 60 ASP A CB 1 O78126 UNP 60 D +ATOM 469 O O . ASP A 1 60 ? -5.264 6.564 -21.213 1.0 97.12 ? 60 ASP A O 1 O78126 UNP 60 D +ATOM 470 C CG . ASP A 1 60 ? -4.530 2.232 -20.843 1.0 97.12 ? 60 ASP A CG 1 O78126 UNP 60 D +ATOM 471 O OD1 . ASP A 1 60 ? -3.453 1.959 -21.427 1.0 97.12 ? 60 ASP A OD1 1 O78126 UNP 60 D +ATOM 472 O OD2 . ASP A 1 60 ? -5.372 1.332 -20.620 1.0 97.12 ? 60 ASP A OD2 1 O78126 UNP 60 D +ATOM 473 N N . ALA A 1 61 ? -3.855 6.919 -19.510 1.0 97.12 ? 61 ALA A N 1 O78126 UNP 61 A +ATOM 474 C CA . ALA A 1 61 ? -4.268 8.307 -19.316 1.0 97.12 ? 61 ALA A CA 1 O78126 UNP 61 A +ATOM 475 C C . ALA A 1 61 ? -3.733 9.204 -20.442 1.0 97.12 ? 61 ALA A C 1 O78126 UNP 61 A +ATOM 476 C CB . ALA A 1 61 ? -3.807 8.804 -17.941 1.0 97.12 ? 61 ALA A CB 1 O78126 UNP 61 A +ATOM 477 O O . ALA A 1 61 ? -2.599 9.048 -20.882 1.0 97.12 ? 61 ALA A O 1 O78126 UNP 61 A +ATOM 478 N N . ALA A 1 62 ? -4.511 10.207 -20.860 1.0 96.25 ? 62 ALA A N 1 O78126 UNP 62 A +ATOM 479 C CA . ALA A 1 62 ? -4.124 11.113 -21.947 1.0 96.25 ? 62 ALA A CA 1 O78126 UNP 62 A +ATOM 480 C C . ALA A 1 62 ? -2.859 11.937 -21.635 1.0 96.25 ? 62 ALA A C 1 O78126 UNP 62 A +ATOM 481 C CB . ALA A 1 62 ? -5.312 12.036 -22.245 1.0 96.25 ? 62 ALA A CB 1 O78126 UNP 62 A +ATOM 482 O O . ALA A 1 62 ? -2.071 12.231 -22.530 1.0 96.25 ? 62 ALA A O 1 O78126 UNP 62 A +ATOM 483 N N . SER A 1 63 ? -2.658 12.304 -20.365 1.0 93.38 ? 63 SER A N 1 O78126 UNP 63 S +ATOM 484 C CA . SER A 1 63 ? -1.495 13.070 -19.903 1.0 93.38 ? 63 SER A CA 1 O78126 UNP 63 S +ATOM 485 C C . SER A 1 63 ? -0.205 12.244 -19.944 1.0 93.38 ? 63 SER A C 1 O78126 UNP 63 S +ATOM 486 C CB . SER A 1 63 ? -1.754 13.565 -18.466 1.0 93.38 ? 63 SER A CB 1 O78126 UNP 63 S +ATOM 487 O O . SER A 1 63 ? 0.870 12.803 -20.172 1.0 93.38 ? 63 SER A O 1 O78126 UNP 63 S +ATOM 488 O OG . SER A 1 63 ? -1.929 12.448 -17.605 1.0 93.38 ? 63 SER A OG 1 O78126 UNP 63 S +ATOM 489 N N . GLN A 1 64 ? -0.310 10.927 -19.701 1.0 95.88 ? 64 GLN A N 1 O78126 UNP 64 Q +ATOM 490 C CA . GLN A 1 64 ? 0.805 10.011 -19.442 1.0 95.88 ? 64 GLN A CA 1 O78126 UNP 64 Q +ATOM 491 C C . GLN A 1 64 ? 1.895 10.670 -18.580 1.0 95.88 ? 64 GLN A C 1 O78126 UNP 64 Q +ATOM 492 C CB . GLN A 1 64 ? 1.369 9.435 -20.749 1.0 95.88 ? 64 GLN A CB 1 O78126 UNP 64 Q +ATOM 493 O O . GLN A 1 64 ? 3.077 10.678 -18.948 1.0 95.88 ? 64 GLN A O 1 O78126 UNP 64 Q +ATOM 494 C CG . GLN A 1 64 ? 0.340 8.645 -21.563 1.0 95.88 ? 64 GLN A CG 1 O78126 UNP 64 Q +ATOM 495 C CD . GLN A 1 64 ? 0.974 7.926 -22.744 1.0 95.88 ? 64 GLN A CD 1 O78126 UNP 64 Q +ATOM 496 N NE2 . GLN A 1 64 ? 0.413 6.822 -23.180 1.0 95.88 ? 64 GLN A NE2 1 O78126 UNP 64 Q +ATOM 497 O OE1 . GLN A 1 64 ? 2.005 8.326 -23.270 1.0 95.88 ? 64 GLN A OE1 1 O78126 UNP 64 Q +ATOM 498 N N . ARG A 1 65 ? 1.493 11.276 -17.461 1.0 97.88 ? 65 ARG A N 1 O78126 UNP 65 R +ATOM 499 C CA . ARG A 1 65 ? 2.370 11.953 -16.496 1.0 97.88 ? 65 ARG A CA 1 O78126 UNP 65 R +ATOM 500 C C . ARG A 1 65 ? 2.183 11.363 -15.107 1.0 97.88 ? 65 ARG A C 1 O78126 UNP 65 R +ATOM 501 C CB . ARG A 1 65 ? 2.104 13.467 -16.514 1.0 97.88 ? 65 ARG A CB 1 O78126 UNP 65 R +ATOM 502 O O . ARG A 1 65 ? 1.159 10.744 -14.833 1.0 97.88 ? 65 ARG A O 1 O78126 UNP 65 R +ATOM 503 C CG . ARG A 1 65 ? 2.876 14.141 -17.655 1.0 97.88 ? 65 ARG A CG 1 O78126 UNP 65 R +ATOM 504 C CD . ARG A 1 65 ? 2.553 15.632 -17.747 1.0 97.88 ? 65 ARG A CD 1 O78126 UNP 65 R +ATOM 505 N NE . ARG A 1 65 ? 3.476 16.316 -18.675 1.0 97.88 ? 65 ARG A NE 1 O78126 UNP 65 R +ATOM 506 N NH1 . ARG A 1 65 ? 2.119 18.080 -19.228 1.0 97.88 ? 65 ARG A NH1 1 O78126 UNP 65 R +ATOM 507 N NH2 . ARG A 1 65 ? 4.175 17.959 -20.084 1.0 97.88 ? 65 ARG A NH2 1 O78126 UNP 65 R +ATOM 508 C CZ . ARG A 1 65 ? 3.250 17.440 -19.328 1.0 97.88 ? 65 ARG A CZ 1 O78126 UNP 65 R +ATOM 509 N N . MET A 1 66 ? 3.199 11.510 -14.260 1.0 98.31 ? 66 MET A N 1 O78126 UNP 66 M +ATOM 510 C CA . MET A 1 66 ? 3.028 11.253 -12.834 1.0 98.31 ? 66 MET A CA 1 O78126 UNP 66 M +ATOM 511 C C . MET A 1 66 ? 2.121 12.343 -12.264 1.0 98.31 ? 66 MET A C 1 O78126 UNP 66 M +ATOM 512 C CB . MET A 1 66 ? 4.386 11.221 -12.117 1.0 98.31 ? 66 MET A CB 1 O78126 UNP 66 M +ATOM 513 O O . MET A 1 66 ? 2.369 13.525 -12.491 1.0 98.31 ? 66 MET A O 1 O78126 UNP 66 M +ATOM 514 C CG . MET A 1 66 ? 4.222 10.732 -10.672 1.0 98.31 ? 66 MET A CG 1 O78126 UNP 66 M +ATOM 515 S SD . MET A 1 66 ? 3.661 9.010 -10.539 1.0 98.31 ? 66 MET A SD 1 O78126 UNP 66 M +ATOM 516 C CE . MET A 1 66 ? 5.240 8.161 -10.775 1.0 98.31 ? 66 MET A CE 1 O78126 UNP 66 M +ATOM 517 N N . GLU A 1 67 ? 1.069 11.944 -11.562 1.0 98.19 ? 67 GLU A N 1 O78126 UNP 67 E +ATOM 518 C CA . GLU A 1 67 ? 0.055 12.853 -11.043 1.0 98.19 ? 67 GLU A CA 1 O78126 UNP 67 E +ATOM 519 C C . GLU A 1 67 ? 0.016 12.811 -9.509 1.0 98.19 ? 67 GLU A C 1 O78126 UNP 67 E +ATOM 520 C CB . GLU A 1 67 ? -1.321 12.494 -11.615 1.0 98.19 ? 67 GLU A CB 1 O78126 UNP 67 E +ATOM 521 O O . GLU A 1 67 ? 0.114 11.719 -8.929 1.0 98.19 ? 67 GLU A O 1 O78126 UNP 67 E +ATOM 522 C CG . GLU A 1 67 ? -1.435 12.607 -13.143 1.0 98.19 ? 67 GLU A CG 1 O78126 UNP 67 E +ATOM 523 C CD . GLU A 1 67 ? -2.811 12.183 -13.682 1.0 98.19 ? 67 GLU A CD 1 O78126 UNP 67 E +ATOM 524 O OE1 . GLU A 1 67 ? -3.034 12.386 -14.901 1.0 98.19 ? 67 GLU A OE1 1 O78126 UNP 67 E +ATOM 525 O OE2 . GLU A 1 67 ? -3.628 11.650 -12.883 1.0 98.19 ? 67 GLU A OE2 1 O78126 UNP 67 E +ATOM 526 N N . PRO A 1 68 ? -0.176 13.964 -8.843 1.0 98.12 ? 68 PRO A N 1 O78126 UNP 68 P +ATOM 527 C CA . PRO A 1 68 ? -0.337 14.026 -7.396 1.0 98.12 ? 68 PRO A CA 1 O78126 UNP 68 P +ATOM 528 C C . PRO A 1 68 ? -1.649 13.365 -6.957 1.0 98.12 ? 68 PRO A C 1 O78126 UNP 68 P +ATOM 529 C CB . PRO A 1 68 ? -0.312 15.517 -7.041 1.0 98.12 ? 68 PRO A CB 1 O78126 UNP 68 P +ATOM 530 O O . PRO A 1 68 ? -2.654 13.373 -7.675 1.0 98.12 ? 68 PRO A O 1 O78126 UNP 68 P +ATOM 531 C CG . PRO A 1 68 ? -0.859 16.187 -8.299 1.0 98.12 ? 68 PRO A CG 1 O78126 UNP 68 P +ATOM 532 C CD . PRO A 1 68 ? -0.322 15.298 -9.418 1.0 98.12 ? 68 PRO A CD 1 O78126 UNP 68 P +ATOM 533 N N . ARG A 1 69 ? -1.638 12.773 -5.762 1.0 97.38 ? 69 ARG A N 1 O78126 UNP 69 R +ATOM 534 C CA . ARG A 1 69 ? -2.812 12.196 -5.081 1.0 97.38 ? 69 ARG A CA 1 O78126 UNP 69 R +ATOM 535 C C . ARG A 1 69 ? -2.963 12.662 -3.633 1.0 97.38 ? 69 ARG A C 1 O78126 UNP 69 R +ATOM 536 C CB . ARG A 1 69 ? -2.793 10.657 -5.191 1.0 97.38 ? 69 ARG A CB 1 O78126 UNP 69 R +ATOM 537 O O . ARG A 1 69 ? -3.928 12.275 -2.984 1.0 97.38 ? 69 ARG A O 1 O78126 UNP 69 R +ATOM 538 C CG . ARG A 1 69 ? -2.967 10.137 -6.628 1.0 97.38 ? 69 ARG A CG 1 O78126 UNP 69 R +ATOM 539 C CD . ARG A 1 69 ? -4.340 10.528 -7.199 1.0 97.38 ? 69 ARG A CD 1 O78126 UNP 69 R +ATOM 540 N NE . ARG A 1 69 ? -4.556 10.019 -8.566 1.0 97.38 ? 69 ARG A NE 1 O78126 UNP 69 R +ATOM 541 N NH1 . ARG A 1 69 ? -3.757 11.841 -9.746 1.0 97.38 ? 69 ARG A NH1 1 O78126 UNP 69 R +ATOM 542 N NH2 . ARG A 1 69 ? -4.596 10.151 -10.847 1.0 97.38 ? 69 ARG A NH2 1 O78126 UNP 69 R +ATOM 543 C CZ . ARG A 1 69 ? -4.297 10.668 -9.692 1.0 97.38 ? 69 ARG A CZ 1 O78126 UNP 69 R +ATOM 544 N N . ALA A 1 70 ? -2.066 13.530 -3.168 1.0 96.12 ? 70 ALA A N 1 O78126 UNP 70 A +ATOM 545 C CA . ALA A 1 70 ? -2.153 14.179 -1.870 1.0 96.12 ? 70 ALA A CA 1 O78126 UNP 70 A +ATOM 546 C C . ALA A 1 70 ? -1.761 15.667 -1.976 1.0 96.12 ? 70 ALA A C 1 O78126 UNP 70 A +ATOM 547 C CB . ALA A 1 70 ? -1.257 13.428 -0.884 1.0 96.12 ? 70 ALA A CB 1 O78126 UNP 70 A +ATOM 548 O O . ALA A 1 70 ? -0.825 15.980 -2.713 1.0 96.12 ? 70 ALA A O 1 O78126 UNP 70 A +ATOM 549 N N . PRO A 1 71 ? -2.399 16.583 -1.222 1.0 96.25 ? 71 PRO A N 1 O78126 UNP 71 P +ATOM 550 C CA . PRO A 1 71 ? -2.108 18.018 -1.318 1.0 96.25 ? 71 PRO A CA 1 O78126 UNP 71 P +ATOM 551 C C . PRO A 1 71 ? -0.644 18.373 -1.023 1.0 96.25 ? 71 PRO A C 1 O78126 UNP 71 P +ATOM 552 C CB . PRO A 1 71 ? -3.048 18.687 -0.309 1.0 96.25 ? 71 PRO A CB 1 O78126 UNP 71 P +ATOM 553 O O . PRO A 1 71 ? -0.052 19.218 -1.684 1.0 96.25 ? 71 PRO A O 1 O78126 UNP 71 P +ATOM 554 C CG . PRO A 1 71 ? -4.224 17.719 -0.217 1.0 96.25 ? 71 PRO A CG 1 O78126 UNP 71 P +ATOM 555 C CD . PRO A 1 71 ? -3.558 16.355 -0.367 1.0 96.25 ? 71 PRO A CD 1 O78126 UNP 71 P +ATOM 556 N N . TRP A 1 72 ? -0.022 17.687 -0.062 1.0 96.12 ? 72 TRP A N 1 O78126 UNP 72 W +ATOM 557 C CA . TRP A 1 72 ? 1.347 17.976 0.374 1.0 96.12 ? 72 TRP A CA 1 O78126 UNP 72 W +ATOM 558 C C . TRP A 1 72 ? 2.429 17.631 -0.659 1.0 96.12 ? 72 TRP A C 1 O78126 UNP 72 W +ATOM 559 C CB . TRP A 1 72 ? 1.599 17.248 1.695 1.0 96.12 ? 72 TRP A CB 1 O78126 UNP 72 W +ATOM 560 O O . TRP A 1 72 ? 3.562 18.084 -0.508 1.0 96.12 ? 72 TRP A O 1 O78126 UNP 72 W +ATOM 561 C CG . TRP A 1 72 ? 1.340 15.772 1.678 1.0 96.12 ? 72 TRP A CG 1 O78126 UNP 72 W +ATOM 562 C CD1 . TRP A 1 72 ? 0.277 15.154 2.244 1.0 96.12 ? 72 TRP A CD1 1 O78126 UNP 72 W +ATOM 563 C CD2 . TRP A 1 72 ? 2.167 14.710 1.109 1.0 96.12 ? 72 TRP A CD2 1 O78126 UNP 72 W +ATOM 564 C CE2 . TRP A 1 72 ? 1.522 13.462 1.355 1.0 96.12 ? 72 TRP A CE2 1 O78126 UNP 72 W +ATOM 565 C CE3 . TRP A 1 72 ? 3.413 14.669 0.445 1.0 96.12 ? 72 TRP A CE3 1 O78126 UNP 72 W +ATOM 566 N NE1 . TRP A 1 72 ? 0.384 13.789 2.059 1.0 96.12 ? 72 TRP A NE1 1 O78126 UNP 72 W +ATOM 567 C CH2 . TRP A 1 72 ? 3.323 12.236 0.311 1.0 96.12 ? 72 TRP A CH2 1 O78126 UNP 72 W +ATOM 568 C CZ2 . TRP A 1 72 ? 2.078 12.240 0.961 1.0 96.12 ? 72 TRP A CZ2 1 O78126 UNP 72 W +ATOM 569 C CZ3 . TRP A 1 72 ? 3.980 13.447 0.043 1.0 96.12 ? 72 TRP A CZ3 1 O78126 UNP 72 W +ATOM 570 N N . ILE A 1 73 ? 2.122 16.845 -1.701 1.0 97.75 ? 73 ILE A N 1 O78126 UNP 73 I +ATOM 571 C CA . ILE A 1 73 ? 3.078 16.588 -2.790 1.0 97.75 ? 73 ILE A CA 1 O78126 UNP 73 I +ATOM 572 C C . ILE A 1 73 ? 2.968 17.641 -3.903 1.0 97.75 ? 73 ILE A C 1 O78126 UNP 73 I +ATOM 573 C CB . ILE A 1 73 ? 2.989 15.123 -3.295 1.0 97.75 ? 73 ILE A CB 1 O78126 UNP 73 I +ATOM 574 O O . ILE A 1 73 ? 3.917 17.835 -4.654 1.0 97.75 ? 73 ILE A O 1 O78126 UNP 73 I +ATOM 575 C CG1 . ILE A 1 73 ? 4.219 14.699 -4.131 1.0 97.75 ? 73 ILE A CG1 1 O78126 UNP 73 I +ATOM 576 C CG2 . ILE A 1 73 ? 1.697 14.831 -4.075 1.0 97.75 ? 73 ILE A CG2 1 O78126 UNP 73 I +ATOM 577 C CD1 . ILE A 1 73 ? 5.493 14.524 -3.298 1.0 97.75 ? 73 ILE A CD1 1 O78126 UNP 73 I +ATOM 578 N N . GLU A 1 74 ? 1.853 18.376 -3.999 1.0 96.81 ? 74 GLU A N 1 O78126 UNP 74 E +ATOM 579 C CA . GLU A 1 74 ? 1.615 19.357 -5.073 1.0 96.81 ? 74 GLU A CA 1 O78126 UNP 74 E +ATOM 580 C C . GLU A 1 74 ? 2.595 20.536 -5.046 1.0 96.81 ? 74 GLU A C 1 O78126 UNP 74 E +ATOM 581 C CB . GLU A 1 74 ? 0.176 19.893 -5.008 1.0 96.81 ? 74 GLU A CB 1 O78126 UNP 74 E +ATOM 582 O O . GLU A 1 74 ? 2.826 21.171 -6.072 1.0 96.81 ? 74 GLU A O 1 O78126 UNP 74 E +ATOM 583 C CG . GLU A 1 74 ? -0.862 18.791 -5.261 1.0 96.81 ? 74 GLU A CG 1 O78126 UNP 74 E +ATOM 584 C CD . GLU A 1 74 ? -2.314 19.292 -5.264 1.0 96.81 ? 74 GLU A CD 1 O78126 UNP 74 E +ATOM 585 O OE1 . GLU A 1 74 ? -3.202 18.420 -5.413 1.0 96.81 ? 74 GLU A OE1 1 O78126 UNP 74 E +ATOM 586 O OE2 . GLU A 1 74 ? -2.542 20.517 -5.147 1.0 96.81 ? 74 GLU A OE2 1 O78126 UNP 74 E +ATOM 587 N N . GLN A 1 75 ? 3.214 20.799 -3.893 1.0 95.44 ? 75 GLN A N 1 O78126 UNP 75 Q +ATOM 588 C CA . GLN A 1 75 ? 4.242 21.829 -3.742 1.0 95.44 ? 75 GLN A CA 1 O78126 UNP 75 Q +ATOM 589 C C . GLN A 1 75 ? 5.584 21.477 -4.405 1.0 95.44 ? 75 GLN A C 1 O78126 UNP 75 Q +ATOM 590 C CB . GLN A 1 75 ? 4.429 22.130 -2.252 1.0 95.44 ? 75 GLN A CB 1 O78126 UNP 75 Q +ATOM 591 O O . GLN A 1 75 ? 6.453 22.343 -4.519 1.0 95.44 ? 75 GLN A O 1 O78126 UNP 75 Q +ATOM 592 C CG . GLN A 1 75 ? 5.078 20.969 -1.486 1.0 95.44 ? 75 GLN A CG 1 O78126 UNP 75 Q +ATOM 593 C CD . GLN A 1 75 ? 5.217 21.272 -0.004 1.0 95.44 ? 75 GLN A CD 1 O78126 UNP 75 Q +ATOM 594 N NE2 . GLN A 1 75 ? 5.978 20.495 0.710 1.0 95.44 ? 75 GLN A NE2 1 O78126 UNP 75 Q +ATOM 595 O OE1 . GLN A 1 75 ? 4.704 22.232 0.539 1.0 95.44 ? 75 GLN A OE1 1 O78126 UNP 75 Q +ATOM 596 N N . GLU A 1 76 ? 5.791 20.220 -4.812 1.0 97.38 ? 76 GLU A N 1 O78126 UNP 76 E +ATOM 597 C CA . GLU A 1 76 ? 7.000 19.835 -5.534 1.0 97.38 ? 76 GLU A CA 1 O78126 UNP 76 E +ATOM 598 C C . GLU A 1 76 ? 7.065 20.523 -6.906 1.0 97.38 ? 76 GLU A C 1 O78126 UNP 76 E +ATOM 599 C CB . GLU A 1 76 ? 7.116 18.310 -5.675 1.0 97.38 ? 76 GLU A CB 1 O78126 UNP 76 E +ATOM 600 O O . GLU A 1 76 ? 6.073 20.638 -7.630 1.0 97.38 ? 76 GLU A O 1 O78126 UNP 76 E +ATOM 601 C CG . GLU A 1 76 ? 7.346 17.562 -4.348 1.0 97.38 ? 76 GLU A CG 1 O78126 UNP 76 E +ATOM 602 C CD . GLU A 1 76 ? 8.666 17.916 -3.640 1.0 97.38 ? 76 GLU A CD 1 O78126 UNP 76 E +ATOM 603 O OE1 . GLU A 1 76 ? 8.830 17.587 -2.440 1.0 97.38 ? 76 GLU A OE1 1 O78126 UNP 76 E +ATOM 604 O OE2 . GLU A 1 76 ? 9.573 18.530 -4.249 1.0 97.38 ? 76 GLU A OE2 1 O78126 UNP 76 E +ATOM 605 N N . GLY A 1 77 ? 8.262 20.991 -7.269 1.0 96.94 ? 77 GLY A N 1 O78126 UNP 77 G +ATOM 606 C CA . GLY A 1 77 ? 8.471 21.776 -8.484 1.0 96.94 ? 77 GLY A CA 1 O78126 UNP 77 G +ATOM 607 C C . GLY A 1 77 ? 8.394 20.958 -9.784 1.0 96.94 ? 77 GLY A C 1 O78126 UNP 77 G +ATOM 608 O O . GLY A 1 77 ? 8.439 19.727 -9.760 1.0 96.94 ? 77 GLY A O 1 O78126 UNP 77 G +ATOM 609 N N . PRO A 1 78 ? 8.356 21.620 -10.956 1.0 97.31 ? 78 PRO A N 1 O78126 UNP 78 P +ATOM 610 C CA . PRO A 1 78 ? 8.279 20.949 -12.258 1.0 97.31 ? 78 PRO A CA 1 O78126 UNP 78 P +ATOM 611 C C . PRO A 1 78 ? 9.383 19.909 -12.501 1.0 97.31 ? 78 PRO A C 1 O78126 UNP 78 P +ATOM 612 C CB . PRO A 1 78 ? 8.352 22.076 -13.294 1.0 97.31 ? 78 PRO A CB 1 O78126 UNP 78 P +ATOM 613 O O . PRO A 1 78 ? 9.121 18.860 -13.082 1.0 97.31 ? 78 PRO A O 1 O78126 UNP 78 P +ATOM 614 C CG . PRO A 1 78 ? 7.792 23.285 -12.547 1.0 97.31 ? 78 PRO A CG 1 O78126 UNP 78 P +ATOM 615 C CD . PRO A 1 78 ? 8.276 23.064 -11.117 1.0 97.31 ? 78 PRO A CD 1 O78126 UNP 78 P +ATOM 616 N N . GLU A 1 79 ? 10.601 20.156 -12.005 1.0 97.81 ? 79 GLU A N 1 O78126 UNP 79 E +ATOM 617 C CA . GLU A 1 79 ? 11.732 19.227 -12.143 1.0 97.81 ? 79 GLU A CA 1 O78126 UNP 79 E +ATOM 618 C C . GLU A 1 79 ? 11.471 17.869 -11.478 1.0 97.81 ? 79 GLU A C 1 O78126 UNP 79 E +ATOM 619 C CB . GLU A 1 79 ? 12.995 19.838 -11.522 1.0 97.81 ? 79 GLU A CB 1 O78126 UNP 79 E +ATOM 620 O O . GLU A 1 79 ? 11.863 16.831 -12.021 1.0 97.81 ? 79 GLU A O 1 O78126 UNP 79 E +ATOM 621 C CG . GLU A 1 79 ? 13.472 21.104 -12.247 1.0 97.81 ? 79 GLU A CG 1 O78126 UNP 79 E +ATOM 622 C CD . GLU A 1 79 ? 14.799 21.648 -11.692 1.0 97.81 ? 79 GLU A CD 1 O78126 UNP 79 E +ATOM 623 O OE1 . GLU A 1 79 ? 15.308 22.614 -12.300 1.0 97.81 ? 79 GLU A OE1 1 O78126 UNP 79 E +ATOM 624 O OE2 . GLU A 1 79 ? 15.298 21.096 -10.685 1.0 97.81 ? 79 GLU A OE2 1 O78126 UNP 79 E +ATOM 625 N N . TYR A 1 80 ? 10.774 17.865 -10.336 1.0 97.88 ? 80 TYR A N 1 O78126 UNP 80 Y +ATOM 626 C CA . TYR A 1 80 ? 10.352 16.640 -9.662 1.0 97.88 ? 80 TYR A CA 1 O78126 UNP 80 Y +ATOM 627 C C . TYR A 1 80 ? 9.375 15.863 -10.546 1.0 97.88 ? 80 TYR A C 1 O78126 UNP 80 Y +ATOM 628 C CB . TYR A 1 80 ? 9.725 16.982 -8.302 1.0 97.88 ? 80 TYR A CB 1 O78126 UNP 80 Y +ATOM 629 O O . TYR A 1 80 ? 9.620 14.701 -10.869 1.0 97.88 ? 80 TYR A O 1 O78126 UNP 80 Y +ATOM 630 C CG . TYR A 1 80 ? 9.080 15.793 -7.624 1.0 97.88 ? 80 TYR A CG 1 O78126 UNP 80 Y +ATOM 631 C CD1 . TYR A 1 80 ? 7.692 15.579 -7.740 1.0 97.88 ? 80 TYR A CD1 1 O78126 UNP 80 Y +ATOM 632 C CD2 . TYR A 1 80 ? 9.877 14.876 -6.920 1.0 97.88 ? 80 TYR A CD2 1 O78126 UNP 80 Y +ATOM 633 C CE1 . TYR A 1 80 ? 7.101 14.453 -7.140 1.0 97.88 ? 80 TYR A CE1 1 O78126 UNP 80 Y +ATOM 634 C CE2 . TYR A 1 80 ? 9.292 13.742 -6.330 1.0 97.88 ? 80 TYR A CE2 1 O78126 UNP 80 Y +ATOM 635 O OH . TYR A 1 80 ? 7.316 12.445 -5.860 1.0 97.88 ? 80 TYR A OH 1 O78126 UNP 80 Y +ATOM 636 C CZ . TYR A 1 80 ? 7.897 13.534 -6.429 1.0 97.88 ? 80 TYR A CZ 1 O78126 UNP 80 Y +ATOM 637 N N . TRP A 1 81 ? 8.313 16.521 -11.016 1.0 98.38 ? 81 TRP A N 1 O78126 UNP 81 W +ATOM 638 C CA . TRP A 1 81 ? 7.269 15.883 -11.820 1.0 98.38 ? 81 TRP A CA 1 O78126 UNP 81 W +ATOM 639 C C . TRP A 1 81 ? 7.779 15.362 -13.166 1.0 98.38 ? 81 TRP A C 1 O78126 UNP 81 W +ATOM 640 C CB . TRP A 1 81 ? 6.120 16.875 -12.013 1.0 98.38 ? 81 TRP A CB 1 O78126 UNP 81 W +ATOM 641 O O . TRP A 1 81 ? 7.425 14.250 -13.575 1.0 98.38 ? 81 TRP A O 1 O78126 UNP 81 W +ATOM 642 C CG . TRP A 1 81 ? 5.418 17.217 -10.739 1.0 98.38 ? 81 TRP A CG 1 O78126 UNP 81 W +ATOM 643 C CD1 . TRP A 1 81 ? 5.421 18.418 -10.118 1.0 98.38 ? 81 TRP A CD1 1 O78126 UNP 81 W +ATOM 644 C CD2 . TRP A 1 81 ? 4.670 16.319 -9.867 1.0 98.38 ? 81 TRP A CD2 1 O78126 UNP 81 W +ATOM 645 C CE2 . TRP A 1 81 ? 4.239 17.056 -8.725 1.0 98.38 ? 81 TRP A CE2 1 O78126 UNP 81 W +ATOM 646 C CE3 . TRP A 1 81 ? 4.339 14.946 -9.919 1.0 98.38 ? 81 TRP A CE3 1 O78126 UNP 81 W +ATOM 647 N NE1 . TRP A 1 81 ? 4.724 18.332 -8.930 1.0 98.38 ? 81 TRP A NE1 1 O78126 UNP 81 W +ATOM 648 C CH2 . TRP A 1 81 ? 3.227 15.084 -7.753 1.0 98.38 ? 81 TRP A CH2 1 O78126 UNP 81 W +ATOM 649 C CZ2 . TRP A 1 81 ? 3.517 16.456 -7.687 1.0 98.38 ? 81 TRP A CZ2 1 O78126 UNP 81 W +ATOM 650 C CZ3 . TRP A 1 81 ? 3.629 14.334 -8.871 1.0 98.38 ? 81 TRP A CZ3 1 O78126 UNP 81 W +ATOM 651 N N . ASP A 1 82 ? 8.649 16.115 -13.839 1.0 98.25 ? 82 ASP A N 1 O78126 UNP 82 D +ATOM 652 C CA . ASP A 1 82 ? 9.296 15.681 -15.078 1.0 98.25 ? 82 ASP A CA 1 O78126 UNP 82 D +ATOM 653 C C . ASP A 1 82 ? 10.271 14.522 -14.825 1.0 98.25 ? 82 ASP A C 1 O78126 UNP 82 D +ATOM 654 C CB . ASP A 1 82 ? 10.032 16.865 -15.726 1.0 98.25 ? 82 ASP A CB 1 O78126 UNP 82 D +ATOM 655 O O . ASP A 1 82 ? 10.335 13.569 -15.612 1.0 98.25 ? 82 ASP A O 1 O78126 UNP 82 D +ATOM 656 C CG . ASP A 1 82 ? 9.111 17.854 -16.454 1.0 98.25 ? 82 ASP A CG 1 O78126 UNP 82 D +ATOM 657 O OD1 . ASP A 1 82 ? 7.971 17.463 -16.809 1.0 98.25 ? 82 ASP A OD1 1 O78126 UNP 82 D +ATOM 658 O OD2 . ASP A 1 82 ? 9.614 18.948 -16.784 1.0 98.25 ? 82 ASP A OD2 1 O78126 UNP 82 D +ATOM 659 N N . GLY A 1 83 ? 11.005 14.569 -13.709 1.0 98.19 ? 83 GLY A N 1 O78126 UNP 83 G +ATOM 660 C CA . GLY A 1 83 ? 11.891 13.501 -13.254 1.0 98.19 ? 83 GLY A CA 1 O78126 UNP 83 G +ATOM 661 C C . GLY A 1 83 ? 11.143 12.195 -12.984 1.0 98.19 ? 83 GLY A C 1 O78126 UNP 83 G +ATOM 662 O O . GLY A 1 83 ? 11.486 11.162 -13.565 1.0 98.19 ? 83 GLY A O 1 O78126 UNP 83 G +ATOM 663 N N . GLU A 1 84 ? 10.094 12.241 -12.164 1.0 98.12 ? 84 GLU A N 1 O78126 UNP 84 E +ATOM 664 C CA . GLU A 1 84 ? 9.262 11.082 -11.824 1.0 98.12 ? 84 GLU A CA 1 O78126 UNP 84 E +ATOM 665 C C . GLU A 1 84 ? 8.518 10.542 -13.046 1.0 98.12 ? 84 GLU A C 1 O78126 UNP 84 E +ATOM 666 C CB . GLU A 1 84 ? 8.276 11.441 -10.697 1.0 98.12 ? 84 GLU A CB 1 O78126 UNP 84 E +ATOM 667 O O . GLU A 1 84 ? 8.500 9.330 -13.273 1.0 98.12 ? 84 GLU A O 1 O78126 UNP 84 E +ATOM 668 C CG . GLU A 1 84 ? 8.962 11.690 -9.342 1.0 98.12 ? 84 GLU A CG 1 O78126 UNP 84 E +ATOM 669 C CD . GLU A 1 84 ? 9.930 10.556 -8.977 1.0 98.12 ? 84 GLU A CD 1 O78126 UNP 84 E +ATOM 670 O OE1 . GLU A 1 84 ? 11.165 10.801 -8.930 1.0 98.12 ? 84 GLU A OE1 1 O78126 UNP 84 E +ATOM 671 O OE2 . GLU A 1 84 ? 9.482 9.393 -8.914 1.0 98.12 ? 84 GLU A OE2 1 O78126 UNP 84 E +ATOM 672 N N . THR A 1 85 ? 8.007 11.422 -13.914 1.0 98.56 ? 85 THR A N 1 O78126 UNP 85 T +ATOM 673 C CA . THR A 1 85 ? 7.390 11.018 -15.187 1.0 98.56 ? 85 THR A CA 1 O78126 UNP 85 T +ATOM 674 C C . THR A 1 85 ? 8.384 10.276 -16.086 1.0 98.56 ? 85 THR A C 1 O78126 UNP 85 T +ATOM 675 C CB . THR A 1 85 ? 6.807 12.219 -15.940 1.0 98.56 ? 85 THR A CB 1 O78126 UNP 85 T +ATOM 676 O O . THR A 1 85 ? 8.038 9.265 -16.705 1.0 98.56 ? 85 THR A O 1 O78126 UNP 85 T +ATOM 677 C CG2 . THR A 1 85 ? 6.207 11.811 -17.289 1.0 98.56 ? 85 THR A CG2 1 O78126 UNP 85 T +ATOM 678 O OG1 . THR A 1 85 ? 5.757 12.781 -15.190 1.0 98.56 ? 85 THR A OG1 1 O78126 UNP 85 T +ATOM 679 N N . ARG A 1 86 ? 9.638 10.735 -16.172 1.0 98.44 ? 86 ARG A N 1 O78126 UNP 86 R +ATOM 680 C CA . ARG A 1 86 ? 10.670 10.054 -16.969 1.0 98.44 ? 86 ARG A CA 1 O78126 UNP 86 R +ATOM 681 C C . ARG A 1 86 ? 11.008 8.681 -16.386 1.0 98.44 ? 86 ARG A C 1 O78126 UNP 86 R +ATOM 682 C CB . ARG A 1 86 ? 11.903 10.959 -17.075 1.0 98.44 ? 86 ARG A CB 1 O78126 UNP 86 R +ATOM 683 O O . ARG A 1 86 ? 11.063 7.707 -17.138 1.0 98.44 ? 86 ARG A O 1 O78126 UNP 86 R +ATOM 684 C CG . ARG A 1 86 ? 12.918 10.442 -18.108 1.0 98.44 ? 86 ARG A CG 1 O78126 UNP 86 R +ATOM 685 C CD . ARG A 1 86 ? 14.206 11.278 -18.122 1.0 98.44 ? 86 ARG A CD 1 O78126 UNP 86 R +ATOM 686 N NE . ARG A 1 86 ? 13.950 12.708 -18.405 1.0 98.44 ? 86 ARG A NE 1 O78126 UNP 86 R +ATOM 687 N NH1 . ARG A 1 86 ? 14.460 13.589 -16.333 1.0 98.44 ? 86 ARG A NH1 1 O78126 UNP 86 R +ATOM 688 N NH2 . ARG A 1 86 ? 13.727 14.930 -17.942 1.0 98.44 ? 86 ARG A NH2 1 O78126 UNP 86 R +ATOM 689 C CZ . ARG A 1 86 ? 14.049 13.727 -17.562 1.0 98.44 ? 86 ARG A CZ 1 O78126 UNP 86 R +ATOM 690 N N . LYS A 1 87 ? 11.195 8.591 -15.064 1.0 97.69 ? 87 LYS A N 1 O78126 UNP 87 K +ATOM 691 C CA . LYS A 1 87 ? 11.499 7.330 -14.363 1.0 97.69 ? 87 LYS A CA 1 O78126 UNP 87 K +ATOM 692 C C . LYS A 1 87 ? 10.375 6.308 -14.528 1.0 97.69 ? 87 LYS A C 1 O78126 UNP 87 K +ATOM 693 C CB . LYS A 1 87 ? 11.727 7.594 -12.868 1.0 97.69 ? 87 LYS A CB 1 O78126 UNP 87 K +ATOM 694 O O . LYS A 1 87 ? 10.638 5.169 -14.907 1.0 97.69 ? 87 LYS A O 1 O78126 UNP 87 K +ATOM 695 C CG . LYS A 1 87 ? 13.025 8.353 -12.547 1.0 97.69 ? 87 LYS A CG 1 O78126 UNP 87 K +ATOM 696 C CD . LYS A 1 87 ? 13.019 8.692 -11.051 1.0 97.69 ? 87 LYS A CD 1 O78126 UNP 87 K +ATOM 697 C CE . LYS A 1 87 ? 14.081 9.722 -10.657 1.0 97.69 ? 87 LYS A CE 1 O78126 UNP 87 K +ATOM 698 N NZ . LYS A 1 87 ? 13.776 10.249 -9.302 1.0 97.69 ? 87 LYS A NZ 1 O78126 UNP 87 K +ATOM 699 N N . VAL A 1 88 ? 9.122 6.713 -14.316 1.0 98.12 ? 88 VAL A N 1 O78126 UNP 88 V +ATOM 700 C CA . VAL A 1 88 ? 7.974 5.798 -14.413 1.0 98.12 ? 88 VAL A CA 1 O78126 UNP 88 V +ATOM 701 C C . VAL A 1 88 ? 7.745 5.315 -15.849 1.0 98.12 ? 88 VAL A C 1 O78126 UNP 88 V +ATOM 702 C CB . VAL A 1 88 ? 6.724 6.426 -13.772 1.0 98.12 ? 88 VAL A CB 1 O78126 UNP 88 V +ATOM 703 O O . VAL A 1 88 ? 7.446 4.141 -16.057 1.0 98.12 ? 88 VAL A O 1 O78126 UNP 88 V +ATOM 704 C CG1 . VAL A 1 88 ? 6.061 7.501 -14.630 1.0 98.12 ? 88 VAL A CG1 1 O78126 UNP 88 V +ATOM 705 C CG2 . VAL A 1 88 ? 5.664 5.377 -13.471 1.0 98.12 ? 88 VAL A CG2 1 O78126 UNP 88 V +ATOM 706 N N . LYS A 1 89 ? 7.992 6.161 -16.861 1.0 98.19 ? 89 LYS A N 1 O78126 UNP 89 K +ATOM 707 C CA . LYS A 1 89 ? 7.980 5.740 -18.273 1.0 98.19 ? 89 LYS A CA 1 O78126 UNP 89 K +ATOM 708 C C . LYS A 1 89 ? 9.097 4.749 -18.593 1.0 98.19 ? 89 LYS A C 1 O78126 UNP 89 K +ATOM 709 C CB . LYS A 1 89 ? 8.059 6.957 -19.206 1.0 98.19 ? 89 LYS A CB 1 O78126 UNP 89 K +ATOM 710 O O . LYS A 1 89 ? 8.846 3.778 -19.303 1.0 98.19 ? 89 LYS A O 1 O78126 UNP 89 K +ATOM 711 C CG . LYS A 1 89 ? 6.706 7.670 -19.281 1.0 98.19 ? 89 LYS A CG 1 O78126 UNP 89 K +ATOM 712 C CD . LYS A 1 89 ? 6.729 8.844 -20.269 1.0 98.19 ? 89 LYS A CD 1 O78126 UNP 89 K +ATOM 713 C CE . LYS A 1 89 ? 5.318 9.431 -20.260 1.0 98.19 ? 89 LYS A CE 1 O78126 UNP 89 K +ATOM 714 N NZ . LYS A 1 89 ? 5.103 10.550 -21.207 1.0 98.19 ? 89 LYS A NZ 1 O78126 UNP 89 K +ATOM 715 N N . ALA A 1 90 ? 10.300 4.950 -18.053 1.0 98.12 ? 90 ALA A N 1 O78126 UNP 90 A +ATOM 716 C CA . ALA A 1 90 ? 11.387 3.982 -18.199 1.0 98.12 ? 90 ALA A CA 1 O78126 UNP 90 A +ATOM 717 C C . ALA A 1 90 ? 11.011 2.628 -17.570 1.0 98.12 ? 90 ALA A C 1 O78126 UNP 90 A +ATOM 718 C CB . ALA A 1 90 ? 12.675 4.570 -17.611 1.0 98.12 ? 90 ALA A CB 1 O78126 UNP 90 A +ATOM 719 O O . ALA A 1 90 ? 11.160 1.595 -18.218 1.0 98.12 ? 90 ALA A O 1 O78126 UNP 90 A +ATOM 720 N N . HIS A 1 91 ? 10.423 2.628 -16.369 1.0 97.56 ? 91 HIS A N 1 O78126 UNP 91 H +ATOM 721 C CA . HIS A 1 91 ? 9.925 1.406 -15.729 1.0 97.56 ? 91 HIS A CA 1 O78126 UNP 91 H +ATOM 722 C C . HIS A 1 91 ? 8.793 0.729 -16.505 1.0 97.56 ? 91 HIS A C 1 O78126 UNP 91 H +ATOM 723 C CB . HIS A 1 91 ? 9.500 1.713 -14.288 1.0 97.56 ? 91 HIS A CB 1 O78126 UNP 91 H +ATOM 724 O O . HIS A 1 91 ? 8.791 -0.496 -16.611 1.0 97.56 ? 91 HIS A O 1 O78126 UNP 91 H +ATOM 725 C CG . HIS A 1 91 ? 10.677 1.932 -13.375 1.0 97.56 ? 91 HIS A CG 1 O78126 UNP 91 H +ATOM 726 C CD2 . HIS A 1 91 ? 10.726 2.736 -12.269 1.0 97.56 ? 91 HIS A CD2 1 O78126 UNP 91 H +ATOM 727 N ND1 . HIS A 1 91 ? 11.904 1.312 -13.477 1.0 97.56 ? 91 HIS A ND1 1 O78126 UNP 91 H +ATOM 728 C CE1 . HIS A 1 91 ? 12.671 1.730 -12.462 1.0 97.56 ? 91 HIS A CE1 1 O78126 UNP 91 H +ATOM 729 N NE2 . HIS A 1 91 ? 11.977 2.556 -11.667 1.0 97.56 ? 91 HIS A NE2 1 O78126 UNP 91 H +ATOM 730 N N . SER A 1 92 ? 7.886 1.495 -17.114 1.0 97.75 ? 92 SER A N 1 O78126 UNP 92 S +ATOM 731 C CA . SER A 1 92 ? 6.864 0.951 -18.014 1.0 97.75 ? 92 SER A CA 1 O78126 UNP 92 S +ATOM 732 C C . SER A 1 92 ? 7.487 0.188 -19.192 1.0 97.75 ? 92 SER A C 1 O78126 UNP 92 S +ATOM 733 C CB . SER A 1 92 ? 5.966 2.088 -18.506 1.0 97.75 ? 92 SER A CB 1 O78126 UNP 92 S +ATOM 734 O O . SER A 1 92 ? 7.043 -0.916 -19.511 1.0 97.75 ? 92 SER A O 1 O78126 UNP 92 S +ATOM 735 O OG . SER A 1 92 ? 5.008 1.624 -19.434 1.0 97.75 ? 92 SER A OG 1 O78126 UNP 92 S +ATOM 736 N N . GLN A 1 93 ? 8.561 0.718 -19.789 1.0 97.69 ? 93 GLN A N 1 O78126 UNP 93 Q +ATOM 737 C CA . GLN A 1 93 ? 9.289 0.030 -20.861 1.0 97.69 ? 93 GLN A CA 1 O78126 UNP 93 Q +ATOM 738 C C . GLN A 1 93 ? 10.021 -1.221 -20.364 1.0 97.69 ? 93 GLN A C 1 O78126 UNP 93 Q +ATOM 739 C CB . GLN A 1 93 ? 10.272 0.990 -21.553 1.0 97.69 ? 93 GLN A CB 1 O78126 UNP 93 Q +ATOM 740 O O . GLN A 1 93 ? 9.970 -2.250 -21.037 1.0 97.69 ? 93 GLN A O 1 O78126 UNP 93 Q +ATOM 741 C CG . GLN A 1 93 ? 9.570 2.137 -22.294 1.0 97.69 ? 93 GLN A CG 1 O78126 UNP 93 Q +ATOM 742 C CD . GLN A 1 93 ? 8.576 1.638 -23.335 1.0 97.69 ? 93 GLN A CD 1 O78126 UNP 93 Q +ATOM 743 N NE2 . GLN A 1 93 ? 7.380 2.182 -23.374 1.0 97.69 ? 93 GLN A NE2 1 O78126 UNP 93 Q +ATOM 744 O OE1 . GLN A 1 93 ? 8.852 0.738 -24.115 1.0 97.69 ? 93 GLN A OE1 1 O78126 UNP 93 Q +ATOM 745 N N . THR A 1 94 ? 10.646 -1.172 -19.183 1.0 97.31 ? 94 THR A N 1 O78126 UNP 94 T +ATOM 746 C CA . THR A 1 94 ? 11.257 -2.356 -18.556 1.0 97.31 ? 94 THR A CA 1 O78126 UNP 94 T +ATOM 747 C C . THR A 1 94 ? 10.219 -3.455 -18.333 1.0 97.31 ? 94 THR A C 1 O78126 UNP 94 T +ATOM 748 C CB . THR A 1 94 ? 11.942 -1.996 -17.230 1.0 97.31 ? 94 THR A CB 1 O78126 UNP 94 T +ATOM 749 O O . THR A 1 94 ? 10.399 -4.559 -18.831 1.0 97.31 ? 94 THR A O 1 O78126 UNP 94 T +ATOM 750 C CG2 . THR A 1 94 ? 12.709 -3.165 -16.622 1.0 97.31 ? 94 THR A CG2 1 O78126 UNP 94 T +ATOM 751 O OG1 . THR A 1 94 ? 12.884 -0.967 -17.427 1.0 97.31 ? 94 THR A OG1 1 O78126 UNP 94 T +ATOM 752 N N . HIS A 1 95 ? 9.073 -3.137 -17.720 1.0 97.62 ? 95 HIS A N 1 O78126 UNP 95 H +ATOM 753 C CA . HIS A 1 95 ? 8.007 -4.115 -17.477 1.0 97.62 ? 95 HIS A CA 1 O78126 UNP 95 H +ATOM 754 C C . HIS A 1 95 ? 7.431 -4.704 -18.774 1.0 97.62 ? 95 HIS A C 1 O78126 UNP 95 H +ATOM 755 C CB . HIS A 1 95 ? 6.872 -3.468 -16.675 1.0 97.62 ? 95 HIS A CB 1 O78126 UNP 95 H +ATOM 756 O O . HIS A 1 95 ? 7.007 -5.859 -18.794 1.0 97.62 ? 95 HIS A O 1 O78126 UNP 95 H +ATOM 757 C CG . HIS A 1 95 ? 7.085 -3.422 -15.183 1.0 97.62 ? 95 HIS A CG 1 O78126 UNP 95 H +ATOM 758 C CD2 . HIS A 1 95 ? 8.152 -2.889 -14.509 1.0 97.62 ? 95 HIS A CD2 1 O78126 UNP 95 H +ATOM 759 N ND1 . HIS A 1 95 ? 6.199 -3.882 -14.232 1.0 97.62 ? 95 HIS A ND1 1 O78126 UNP 95 H +ATOM 760 C CE1 . HIS A 1 95 ? 6.717 -3.625 -13.020 1.0 97.62 ? 95 HIS A CE1 1 O78126 UNP 95 H +ATOM 761 N NE2 . HIS A 1 95 ? 7.897 -2.996 -13.135 1.0 97.62 ? 95 HIS A NE2 1 O78126 UNP 95 H +ATOM 762 N N . ARG A 1 96 ? 7.404 -3.936 -19.872 1.0 97.25 ? 96 ARG A N 1 O78126 UNP 96 R +ATOM 763 C CA . ARG A 1 96 ? 7.028 -4.463 -21.191 1.0 97.25 ? 96 ARG A CA 1 O78126 UNP 96 R +ATOM 764 C C . ARG A 1 96 ? 8.002 -5.545 -21.663 1.0 97.25 ? 96 ARG A C 1 O78126 UNP 96 R +ATOM 765 C CB . ARG A 1 96 ? 6.930 -3.313 -22.201 1.0 97.25 ? 96 ARG A CB 1 O78126 UNP 96 R +ATOM 766 O O . ARG A 1 96 ? 7.564 -6.586 -22.149 1.0 97.25 ? 96 ARG A O 1 O78126 UNP 96 R +ATOM 767 C CG . ARG A 1 96 ? 6.584 -3.853 -23.593 1.0 97.25 ? 96 ARG A CG 1 O78126 UNP 96 R +ATOM 768 C CD . ARG A 1 96 ? 6.426 -2.745 -24.619 1.0 97.25 ? 96 ARG A CD 1 O78126 UNP 96 R +ATOM 769 N NE . ARG A 1 96 ? 7.698 -2.140 -25.046 1.0 97.25 ? 96 ARG A NE 1 O78126 UNP 96 R +ATOM 770 N NH1 . ARG A 1 96 ? 6.869 -1.326 -27.028 1.0 97.25 ? 96 ARG A NH1 1 O78126 UNP 96 R +ATOM 771 N NH2 . ARG A 1 96 ? 9.026 -1.037 -26.517 1.0 97.25 ? 96 ARG A NH2 1 O78126 UNP 96 R +ATOM 772 C CZ . ARG A 1 96 ? 7.856 -1.509 -26.194 1.0 97.25 ? 96 ARG A CZ 1 O78126 UNP 96 R +ATOM 773 N N . VAL A 1 97 ? 9.304 -5.301 -21.529 1.0 97.25 ? 97 VAL A N 1 O78126 UNP 97 V +ATOM 774 C CA . VAL A 1 97 ? 10.345 -6.281 -21.879 1.0 97.25 ? 97 VAL A CA 1 O78126 UNP 97 V +ATOM 775 C C . VAL A 1 97 ? 10.283 -7.493 -20.946 1.0 97.25 ? 97 VAL A C 1 O78126 UNP 97 V +ATOM 776 C CB . VAL A 1 97 ? 11.741 -5.628 -21.861 1.0 97.25 ? 97 VAL A CB 1 O78126 UNP 97 V +ATOM 777 O O . VAL A 1 97 ? 10.395 -8.631 -21.413 1.0 97.25 ? 97 VAL A O 1 O78126 UNP 97 V +ATOM 778 C CG1 . VAL A 1 97 ? 12.858 -6.644 -22.131 1.0 97.25 ? 97 VAL A CG1 1 O78126 UNP 97 V +ATOM 779 C CG2 . VAL A 1 97 ? 11.841 -4.537 -22.938 1.0 97.25 ? 97 VAL A CG2 1 O78126 UNP 97 V +ATOM 780 N N . ASP A 1 98 ? 10.035 -7.269 -19.656 1.0 97.56 ? 98 ASP A N 1 O78126 UNP 98 D +ATOM 781 C CA . ASP A 1 98 ? 9.909 -8.333 -18.660 1.0 97.56 ? 98 ASP A CA 1 O78126 UNP 98 D +ATOM 782 C C . ASP A 1 98 ? 8.730 -9.258 -18.974 1.0 97.56 ? 98 ASP A C 1 O78126 UNP 98 D +ATOM 783 C CB . ASP A 1 98 ? 9.759 -7.747 -17.249 1.0 97.56 ? 98 ASP A CB 1 O78126 UNP 98 D +ATOM 784 O O . ASP A 1 98 ? 8.901 -10.472 -18.948 1.0 97.56 ? 98 ASP A O 1 O78126 UNP 98 D +ATOM 785 C CG . ASP A 1 98 ? 10.988 -6.973 -16.762 1.0 97.56 ? 98 ASP A CG 1 O78126 UNP 98 D +ATOM 786 O OD1 . ASP A 1 98 ? 12.103 -7.235 -17.271 1.0 97.56 ? 98 ASP A OD1 1 O78126 UNP 98 D +ATOM 787 O OD2 . ASP A 1 98 ? 10.790 -6.121 -15.867 1.0 97.56 ? 98 ASP A OD2 1 O78126 UNP 98 D +ATOM 788 N N . LEU A 1 99 ? 7.568 -8.719 -19.368 1.0 97.75 ? 99 LEU A N 1 O78126 UNP 99 L +ATOM 789 C CA . LEU A 1 99 ? 6.414 -9.524 -19.799 1.0 97.75 ? 99 LEU A CA 1 O78126 UNP 99 L +ATOM 790 C C . LEU A 1 99 ? 6.776 -10.485 -20.942 1.0 97.75 ? 99 LEU A C 1 O78126 UNP 99 L +ATOM 791 C CB . LEU A 1 99 ? 5.268 -8.591 -20.240 1.0 97.75 ? 99 LEU A CB 1 O78126 UNP 99 L +ATOM 792 O O . LEU A 1 99 ? 6.415 -11.659 -20.898 1.0 97.75 ? 99 LEU A O 1 O78126 UNP 99 L +ATOM 793 C CG . LEU A 1 99 ? 4.434 -8.016 -19.084 1.0 97.75 ? 99 LEU A CG 1 O78126 UNP 99 L +ATOM 794 C CD1 . LEU A 1 99 ? 3.605 -6.837 -19.592 1.0 97.75 ? 99 LEU A CD1 1 O78126 UNP 99 L +ATOM 795 C CD2 . LEU A 1 99 ? 3.460 -9.054 -18.526 1.0 97.75 ? 99 LEU A CD2 1 O78126 UNP 99 L +ATOM 796 N N . GLY A 1 100 ? 7.512 -10.011 -21.952 1.0 95.94 ? 100 GLY A N 1 O78126 UNP 100 G +ATOM 797 C CA . GLY A 1 100 ? 7.970 -10.859 -23.058 1.0 95.94 ? 100 GLY A CA 1 O78126 UNP 100 G +ATOM 798 C C . GLY A 1 100 ? 8.998 -11.906 -22.619 1.0 95.94 ? 100 GLY A C 1 O78126 UNP 100 G +ATOM 799 O O . GLY A 1 100 ? 8.921 -13.066 -23.027 1.0 95.94 ? 100 GLY A O 1 O78126 UNP 100 G +ATOM 800 N N . THR A 1 101 ? 9.932 -11.508 -21.753 1.0 97.19 ? 101 THR A N 1 O78126 UNP 101 T +ATOM 801 C CA . THR A 1 101 ? 10.998 -12.376 -21.230 1.0 97.19 ? 101 THR A CA 1 O78126 UNP 101 T +ATOM 802 C C . THR A 1 101 ? 10.433 -13.496 -20.359 1.0 97.19 ? 101 THR A C 1 O78126 UNP 101 T +ATOM 803 C CB . THR A 1 101 ? 12.015 -11.550 -20.428 1.0 97.19 ? 101 THR A CB 1 O78126 UNP 101 T +ATOM 804 O O . THR A 1 101 ? 10.767 -14.662 -20.563 1.0 97.19 ? 101 THR A O 1 O78126 UNP 101 T +ATOM 805 C CG2 . THR A 1 101 ? 13.177 -12.394 -19.904 1.0 97.19 ? 101 THR A CG2 1 O78126 UNP 101 T +ATOM 806 O OG1 . THR A 1 101 ? 12.574 -10.554 -21.255 1.0 97.19 ? 101 THR A OG1 1 O78126 UNP 101 T +ATOM 807 N N . LEU A 1 102 ? 9.543 -13.158 -19.423 1.0 97.75 ? 102 LEU A N 1 O78126 UNP 102 L +ATOM 808 C CA . LEU A 1 102 ? 8.915 -14.106 -18.505 1.0 97.75 ? 102 LEU A CA 1 O78126 UNP 102 L +ATOM 809 C C . LEU A 1 102 ? 8.022 -15.086 -19.258 1.0 97.75 ? 102 LEU A C 1 O78126 UNP 102 L +ATOM 810 C CB . LEU A 1 102 ? 8.125 -13.336 -17.434 1.0 97.75 ? 102 LEU A CB 1 O78126 UNP 102 L +ATOM 811 O O . LEU A 1 102 ? 8.156 -16.292 -19.065 1.0 97.75 ? 102 LEU A O 1 O78126 UNP 102 L +ATOM 812 C CG . LEU A 1 102 ? 9.031 -12.550 -16.472 1.0 97.75 ? 102 LEU A CG 1 O78126 UNP 102 L +ATOM 813 C CD1 . LEU A 1 102 ? 8.205 -11.586 -15.634 1.0 97.75 ? 102 LEU A CD1 1 O78126 UNP 102 L +ATOM 814 C CD2 . LEU A 1 102 ? 9.783 -13.469 -15.520 1.0 97.75 ? 102 LEU A CD2 1 O78126 UNP 102 L +ATOM 815 N N . ARG A 1 103 ? 7.211 -14.599 -20.205 1.0 96.69 ? 103 ARG A N 1 O78126 UNP 103 R +ATOM 816 C CA . ARG A 1 103 ? 6.433 -15.464 -21.102 1.0 96.69 ? 103 ARG A CA 1 O78126 UNP 103 R +ATOM 817 C C . ARG A 1 103 ? 7.319 -16.503 -21.796 1.0 96.69 ? 103 ARG A C 1 O78126 UNP 103 R +ATOM 818 C CB . ARG A 1 103 ? 5.698 -14.574 -22.111 1.0 96.69 ? 103 ARG A CB 1 O78126 UNP 103 R +ATOM 819 O O . ARG A 1 103 ? 6.946 -17.671 -21.876 1.0 96.69 ? 103 ARG A O 1 O78126 UNP 103 R +ATOM 820 C CG . ARG A 1 103 ? 4.721 -15.361 -22.994 1.0 96.69 ? 103 ARG A CG 1 O78126 UNP 103 R +ATOM 821 C CD . ARG A 1 103 ? 4.136 -14.480 -24.098 1.0 96.69 ? 103 ARG A CD 1 O78126 UNP 103 R +ATOM 822 N NE . ARG A 1 103 ? 5.152 -14.117 -25.107 1.0 96.69 ? 103 ARG A NE 1 O78126 UNP 103 R +ATOM 823 N NH1 . ARG A 1 103 ? 3.839 -12.740 -26.394 1.0 96.69 ? 103 ARG A NH1 1 O78126 UNP 103 R +ATOM 824 N NH2 . ARG A 1 103 ? 5.847 -13.335 -27.129 1.0 96.69 ? 103 ARG A NH2 1 O78126 UNP 103 R +ATOM 825 C CZ . ARG A 1 103 ? 4.949 -13.391 -26.191 1.0 96.69 ? 103 ARG A CZ 1 O78126 UNP 103 R +ATOM 826 N N . GLY A 1 104 ? 8.501 -16.088 -22.261 1.0 96.50 ? 104 GLY A N 1 O78126 UNP 104 G +ATOM 827 C CA . GLY A 1 104 ? 9.504 -16.979 -22.844 1.0 96.50 ? 104 GLY A CA 1 O78126 UNP 104 G +ATOM 828 C C . GLY A 1 104 ? 10.053 -18.004 -21.848 1.0 96.50 ? 104 GLY A C 1 O78126 UNP 104 G +ATOM 829 O O . GLY A 1 104 ? 10.059 -19.192 -22.148 1.0 96.50 ? 104 GLY A O 1 O78126 UNP 104 G +ATOM 830 N N . TYR A 1 105 ? 10.461 -17.578 -20.649 1.0 97.38 ? 105 TYR A N 1 O78126 UNP 105 Y +ATOM 831 C CA . TYR A 1 105 ? 10.983 -18.487 -19.616 1.0 97.38 ? 105 TYR A CA 1 O78126 UNP 105 Y +ATOM 832 C C . TYR A 1 105 ? 9.974 -19.555 -19.184 1.0 97.38 ? 105 TYR A C 1 O78126 UNP 105 Y +ATOM 833 C CB . TYR A 1 105 ? 11.408 -17.689 -18.379 1.0 97.38 ? 105 TYR A CB 1 O78126 UNP 105 Y +ATOM 834 O O . TYR A 1 105 ? 10.363 -20.688 -18.909 1.0 97.38 ? 105 TYR A O 1 O78126 UNP 105 Y +ATOM 835 C CG . TYR A 1 105 ? 12.620 -16.785 -18.495 1.0 97.38 ? 105 TYR A CG 1 O78126 UNP 105 Y +ATOM 836 C CD1 . TYR A 1 105 ? 13.480 -16.798 -19.617 1.0 97.38 ? 105 TYR A CD1 1 O78126 UNP 105 Y +ATOM 837 C CD2 . TYR A 1 105 ? 12.910 -15.949 -17.404 1.0 97.38 ? 105 TYR A CD2 1 O78126 UNP 105 Y +ATOM 838 C CE1 . TYR A 1 105 ? 14.620 -15.972 -19.643 1.0 97.38 ? 105 TYR A CE1 1 O78126 UNP 105 Y +ATOM 839 C CE2 . TYR A 1 105 ? 14.044 -15.124 -17.424 1.0 97.38 ? 105 TYR A CE2 1 O78126 UNP 105 Y +ATOM 840 O OH . TYR A 1 105 ? 15.967 -14.298 -18.525 1.0 97.38 ? 105 TYR A OH 1 O78126 UNP 105 Y +ATOM 841 C CZ . TYR A 1 105 ? 14.896 -15.133 -18.543 1.0 97.38 ? 105 TYR A CZ 1 O78126 UNP 105 Y +ATOM 842 N N . TYR A 1 106 ? 8.688 -19.207 -19.148 1.0 97.38 ? 106 TYR A N 1 O78126 UNP 106 Y +ATOM 843 C CA . TYR A 1 106 ? 7.613 -20.129 -18.788 1.0 97.38 ? 106 TYR A CA 1 O78126 UNP 106 Y +ATOM 844 C C . TYR A 1 106 ? 7.003 -20.871 -19.987 1.0 97.38 ? 106 TYR A C 1 O78126 UNP 106 Y +ATOM 845 C CB . TYR A 1 106 ? 6.567 -19.376 -17.956 1.0 97.38 ? 106 TYR A CB 1 O78126 UNP 106 Y +ATOM 846 O O . TYR A 1 106 ? 6.048 -21.623 -19.801 1.0 97.38 ? 106 TYR A O 1 O78126 UNP 106 Y +ATOM 847 C CG . TYR A 1 106 ? 7.061 -18.987 -16.577 1.0 97.38 ? 106 TYR A CG 1 O78126 UNP 106 Y +ATOM 848 C CD1 . TYR A 1 106 ? 7.218 -19.976 -15.587 1.0 97.38 ? 106 TYR A CD1 1 O78126 UNP 106 Y +ATOM 849 C CD2 . TYR A 1 106 ? 7.342 -17.642 -16.273 1.0 97.38 ? 106 TYR A CD2 1 O78126 UNP 106 Y +ATOM 850 C CE1 . TYR A 1 106 ? 7.650 -19.616 -14.296 1.0 97.38 ? 106 TYR A CE1 1 O78126 UNP 106 Y +ATOM 851 C CE2 . TYR A 1 106 ? 7.794 -17.283 -14.993 1.0 97.38 ? 106 TYR A CE2 1 O78126 UNP 106 Y +ATOM 852 O OH . TYR A 1 106 ? 8.357 -17.897 -12.766 1.0 97.38 ? 106 TYR A OH 1 O78126 UNP 106 Y +ATOM 853 C CZ . TYR A 1 106 ? 7.938 -18.267 -13.998 1.0 97.38 ? 106 TYR A CZ 1 O78126 UNP 106 Y +ATOM 854 N N . ASN A 1 107 ? 7.538 -20.697 -21.204 1.0 96.31 ? 107 ASN A N 1 O78126 UNP 107 N +ATOM 855 C CA . ASN A 1 107 ? 7.024 -21.302 -22.442 1.0 96.31 ? 107 ASN A CA 1 O78126 UNP 107 N +ATOM 856 C C . ASN A 1 107 ? 5.515 -21.063 -22.657 1.0 96.31 ? 107 ASN A C 1 O78126 UNP 107 N +ATOM 857 C CB . ASN A 1 107 ? 7.423 -22.787 -22.507 1.0 96.31 ? 107 ASN A CB 1 O78126 UNP 107 N +ATOM 858 O O . ASN A 1 107 ? 4.772 -21.958 -23.063 1.0 96.31 ? 107 ASN A O 1 O78126 UNP 107 N +ATOM 859 C CG . ASN A 1 107 ? 8.922 -22.990 -22.461 1.0 96.31 ? 107 ASN A CG 1 O78126 UNP 107 N +ATOM 860 N ND2 . ASN A 1 107 ? 9.409 -23.807 -21.558 1.0 96.31 ? 107 ASN A ND2 1 O78126 UNP 107 N +ATOM 861 O OD1 . ASN A 1 107 ? 9.675 -22.435 -23.239 1.0 96.31 ? 107 ASN A OD1 1 O78126 UNP 107 N +ATOM 862 N N . GLN A 1 108 ? 5.047 -19.854 -22.348 1.0 96.50 ? 108 GLN A N 1 O78126 UNP 108 Q +ATOM 863 C CA . GLN A 1 108 ? 3.634 -19.481 -22.418 1.0 96.50 ? 108 GLN A CA 1 O78126 UNP 108 Q +ATOM 864 C C . GLN A 1 108 ? 3.249 -18.955 -23.812 1.0 96.50 ? 108 GLN A C 1 O78126 UNP 108 Q +ATOM 865 C CB . GLN A 1 108 ? 3.333 -18.456 -21.320 1.0 96.50 ? 108 GLN A CB 1 O78126 UNP 108 Q +ATOM 866 O O . GLN A 1 108 ? 4.058 -18.367 -24.531 1.0 96.50 ? 108 GLN A O 1 O78126 UNP 108 Q +ATOM 867 C CG . GLN A 1 108 ? 3.367 -19.048 -19.898 1.0 96.50 ? 108 GLN A CG 1 O78126 UNP 108 Q +ATOM 868 C CD . GLN A 1 108 ? 3.328 -17.954 -18.834 1.0 96.50 ? 108 GLN A CD 1 O78126 UNP 108 Q +ATOM 869 N NE2 . GLN A 1 108 ? 2.672 -18.153 -17.710 1.0 96.50 ? 108 GLN A NE2 1 O78126 UNP 108 Q +ATOM 870 O OE1 . GLN A 1 108 ? 3.877 -16.882 -19.006 1.0 96.50 ? 108 GLN A OE1 1 O78126 UNP 108 Q +ATOM 871 N N . SER A 1 109 ? 1.985 -19.153 -24.201 1.0 94.50 ? 109 SER A N 1 O78126 UNP 109 S +ATOM 872 C CA . SER A 1 109 ? 1.469 -18.735 -25.513 1.0 94.50 ? 109 SER A CA 1 O78126 UNP 109 S +ATOM 873 C C . SER A 1 109 ? 1.343 -17.214 -25.649 1.0 94.50 ? 109 SER A C 1 O78126 UNP 109 S +ATOM 874 C CB . SER A 1 109 ? 0.103 -19.378 -25.774 1.0 94.50 ? 109 SER A CB 1 O78126 UNP 109 S +ATOM 875 O O . SER A 1 109 ? 1.033 -16.526 -24.680 1.0 94.50 ? 109 SER A O 1 O78126 UNP 109 S +ATOM 876 O OG . SER A 1 109 ? -0.899 -18.759 -24.989 1.0 94.50 ? 109 SER A OG 1 O78126 UNP 109 S +ATOM 877 N N . GLU A 1 110 ? 1.447 -16.688 -26.872 1.0 90.88 ? 110 GLU A N 1 O78126 UNP 110 E +ATOM 878 C CA . GLU A 1 110 ? 1.279 -15.248 -27.125 1.0 90.88 ? 110 GLU A CA 1 O78126 UNP 110 E +ATOM 879 C C . GLU A 1 110 ? -0.153 -14.734 -26.931 1.0 90.88 ? 110 GLU A C 1 O78126 UNP 110 E +ATOM 880 C CB . GLU A 1 110 ? 1.729 -14.891 -28.544 1.0 90.88 ? 110 GLU A CB 1 O78126 UNP 110 E +ATOM 881 O O . GLU A 1 110 ? -0.348 -13.541 -26.719 1.0 90.88 ? 110 GLU A O 1 O78126 UNP 110 E +ATOM 882 C CG . GLU A 1 110 ? 3.165 -15.328 -28.844 1.0 90.88 ? 110 GLU A CG 1 O78126 UNP 110 E +ATOM 883 C CD . GLU A 1 110 ? 3.775 -14.443 -29.931 1.0 90.88 ? 110 GLU A CD 1 O78126 UNP 110 E +ATOM 884 O OE1 . GLU A 1 110 ? 4.864 -13.890 -29.644 1.0 90.88 ? 110 GLU A OE1 1 O78126 UNP 110 E +ATOM 885 O OE2 . GLU A 1 110 ? 3.110 -14.248 -30.969 1.0 90.88 ? 110 GLU A OE2 1 O78126 UNP 110 E +ATOM 886 N N . ALA A 1 111 ? -1.146 -15.624 -26.989 1.0 91.81 ? 111 ALA A N 1 O78126 UNP 111 A +ATOM 887 C CA . ALA A 1 111 ? -2.553 -15.284 -26.799 1.0 91.81 ? 111 ALA A CA 1 O78126 UNP 111 A +ATOM 888 C C . ALA A 1 111 ? -2.919 -15.035 -25.322 1.0 91.81 ? 111 ALA A C 1 O78126 UNP 111 A +ATOM 889 C CB . ALA A 1 111 ? -3.392 -16.414 -27.408 1.0 91.81 ? 111 ALA A CB 1 O78126 UNP 111 A +ATOM 890 O O . ALA A 1 111 ? -3.985 -14.487 -25.041 1.0 91.81 ? 111 ALA A O 1 O78126 UNP 111 A +ATOM 891 N N . GLY A 1 112 ? -2.052 -15.439 -24.386 1.0 92.81 ? 112 GLY A N 1 O78126 UNP 112 G +ATOM 892 C CA . GLY A 1 112 ? -2.262 -15.290 -22.949 1.0 92.81 ? 112 GLY A CA 1 O78126 UNP 112 G +ATOM 893 C C . GLY A 1 112 ? -2.037 -13.857 -22.465 1.0 92.81 ? 112 GLY A C 1 O78126 UNP 112 G +ATOM 894 O O . GLY A 1 112 ? -1.046 -13.211 -22.809 1.0 92.81 ? 112 GLY A O 1 O78126 UNP 112 G +ATOM 895 N N . SER A 1 113 ? -2.962 -13.361 -21.642 1.0 97.00 ? 113 SER A N 1 O78126 UNP 113 S +ATOM 896 C CA . SER A 1 113 ? -2.752 -12.145 -20.856 1.0 97.00 ? 113 SER A CA 1 O78126 UNP 113 S +ATOM 897 C C . SER A 1 113 ? -1.945 -12.497 -19.612 1.0 97.00 ? 113 SER A C 1 O78126 UNP 113 S +ATOM 898 C CB . SER A 1 113 ? -4.094 -11.529 -20.460 1.0 97.00 ? 113 SER A CB 1 O78126 UNP 113 S +ATOM 899 O O . SER A 1 113 ? -2.313 -13.417 -18.887 1.0 97.00 ? 113 SER A O 1 O78126 UNP 113 S +ATOM 900 O OG . SER A 1 113 ? -3.921 -10.306 -19.775 1.0 97.00 ? 113 SER A OG 1 O78126 UNP 113 S +ATOM 901 N N . HIS A 1 114 ? -0.892 -11.732 -19.354 1.0 98.12 ? 114 HIS A N 1 O78126 UNP 114 H +ATOM 902 C CA . HIS A 1 114 ? 0.052 -11.948 -18.265 1.0 98.12 ? 114 HIS A CA 1 O78126 UNP 114 H +ATOM 903 C C . HIS A 1 114 ? 0.248 -10.669 -17.465 1.0 98.12 ? 114 HIS A C 1 O78126 UNP 114 H +ATOM 904 C CB . HIS A 1 114 ? 1.390 -12.451 -18.815 1.0 98.12 ? 114 HIS A CB 1 O78126 UNP 114 H +ATOM 905 O O . HIS A 1 114 ? 0.090 -9.563 -17.993 1.0 98.12 ? 114 HIS A O 1 O78126 UNP 114 H +ATOM 906 C CG . HIS A 1 114 ? 1.267 -13.807 -19.447 1.0 98.12 ? 114 HIS A CG 1 O78126 UNP 114 H +ATOM 907 C CD2 . HIS A 1 114 ? 1.294 -14.108 -20.781 1.0 98.12 ? 114 HIS A CD2 1 O78126 UNP 114 H +ATOM 908 N ND1 . HIS A 1 114 ? 1.037 -14.977 -18.767 1.0 98.12 ? 114 HIS A ND1 1 O78126 UNP 114 H +ATOM 909 C CE1 . HIS A 1 114 ? 0.914 -15.955 -19.674 1.0 98.12 ? 114 HIS A CE1 1 O78126 UNP 114 H +ATOM 910 N NE2 . HIS A 1 114 ? 1.068 -15.482 -20.923 1.0 98.12 ? 114 HIS A NE2 1 O78126 UNP 114 H +ATOM 911 N N . THR A 1 115 ? 0.603 -10.820 -16.195 1.0 98.56 ? 115 THR A N 1 O78126 UNP 115 T +ATOM 912 C CA . THR A 1 115 ? 0.756 -9.701 -15.265 1.0 98.56 ? 115 THR A CA 1 O78126 UNP 115 T +ATOM 913 C C . THR A 1 115 ? 2.126 -9.728 -14.604 1.0 98.56 ? 115 THR A C 1 O78126 UNP 115 T +ATOM 914 C CB . THR A 1 115 ? -0.360 -9.708 -14.214 1.0 98.56 ? 115 THR A CB 1 O78126 UNP 115 T +ATOM 915 O O . THR A 1 115 ? 2.507 -10.731 -14.014 1.0 98.56 ? 115 THR A O 1 O78126 UNP 115 T +ATOM 916 C CG2 . THR A 1 115 ? -0.330 -8.453 -13.349 1.0 98.56 ? 115 THR A CG2 1 O78126 UNP 115 T +ATOM 917 O OG1 . THR A 1 115 ? -1.617 -9.731 -14.852 1.0 98.56 ? 115 THR A OG1 1 O78126 UNP 115 T +ATOM 918 N N . VAL A 1 116 ? 2.846 -8.606 -14.646 1.0 98.62 ? 116 VAL A N 1 O78126 UNP 116 V +ATOM 919 C CA . VAL A 1 116 ? 4.067 -8.377 -13.858 1.0 98.62 ? 116 VAL A CA 1 O78126 UNP 116 V +ATOM 920 C C . VAL A 1 116 ? 3.777 -7.315 -12.814 1.0 98.62 ? 116 VAL A C 1 O78126 UNP 116 V +ATOM 921 C CB . VAL A 1 116 ? 5.261 -7.957 -14.734 1.0 98.62 ? 116 VAL A CB 1 O78126 UNP 116 V +ATOM 922 O O . VAL A 1 116 ? 3.371 -6.200 -13.154 1.0 98.62 ? 116 VAL A O 1 O78126 UNP 116 V +ATOM 923 C CG1 . VAL A 1 116 ? 6.492 -7.563 -13.902 1.0 98.62 ? 116 VAL A CG1 1 O78126 UNP 116 V +ATOM 924 C CG2 . VAL A 1 116 ? 5.694 -9.113 -15.630 1.0 98.62 ? 116 VAL A CG2 1 O78126 UNP 116 V +ATOM 925 N N . GLN A 1 117 ? 4.032 -7.643 -11.554 1.0 98.75 ? 117 GLN A N 1 O78126 UNP 117 Q +ATOM 926 C CA . GLN A 1 117 ? 3.912 -6.724 -10.431 1.0 98.75 ? 117 GLN A CA 1 O78126 UNP 117 Q +ATOM 927 C C . GLN A 1 117 ? 5.276 -6.518 -9.786 1.0 98.75 ? 117 GLN A C 1 O78126 UNP 117 Q +ATOM 928 C CB . GLN A 1 117 ? 2.884 -7.233 -9.416 1.0 98.75 ? 117 GLN A CB 1 O78126 UNP 117 Q +ATOM 929 O O . GLN A 1 117 ? 6.067 -7.453 -9.685 1.0 98.75 ? 117 GLN A O 1 O78126 UNP 117 Q +ATOM 930 C CG . GLN A 1 117 ? 1.488 -7.342 -10.034 1.0 98.75 ? 117 GLN A CG 1 O78126 UNP 117 Q +ATOM 931 C CD . GLN A 1 117 ? 0.500 -7.995 -9.085 1.0 98.75 ? 117 GLN A CD 1 O78126 UNP 117 Q +ATOM 932 N NE2 . GLN A 1 117 ? -0.235 -7.230 -8.309 1.0 98.75 ? 117 GLN A NE2 1 O78126 UNP 117 Q +ATOM 933 O OE1 . GLN A 1 117 ? 0.379 -9.205 -9.029 1.0 98.75 ? 117 GLN A OE1 1 O78126 UNP 117 Q +ATOM 934 N N . ARG A 1 118 ? 5.538 -5.296 -9.331 1.0 98.50 ? 118 ARG A N 1 O78126 UNP 118 R +ATOM 935 C CA . ARG A 1 118 ? 6.730 -4.935 -8.564 1.0 98.50 ? 118 ARG A CA 1 O78126 UNP 118 R +ATOM 936 C C . ARG A 1 118 ? 6.313 -4.116 -7.356 1.0 98.50 ? 118 ARG A C 1 O78126 UNP 118 R +ATOM 937 C CB . ARG A 1 118 ? 7.709 -4.166 -9.460 1.0 98.50 ? 118 ARG A CB 1 O78126 UNP 118 R +ATOM 938 O O . ARG A 1 118 ? 5.550 -3.164 -7.506 1.0 98.50 ? 118 ARG A O 1 O78126 UNP 118 R +ATOM 939 C CG . ARG A 1 118 ? 9.027 -3.796 -8.761 1.0 98.50 ? 118 ARG A CG 1 O78126 UNP 118 R +ATOM 940 C CD . ARG A 1 118 ? 9.786 -2.811 -9.654 1.0 98.50 ? 118 ARG A CD 1 O78126 UNP 118 R +ATOM 941 N NE . ARG A 1 118 ? 11.120 -2.453 -9.126 1.0 98.50 ? 118 ARG A NE 1 O78126 UNP 118 R +ATOM 942 N NH1 . ARG A 1 118 ? 11.434 -0.633 -10.482 1.0 98.50 ? 118 ARG A NH1 1 O78126 UNP 118 R +ATOM 943 N NH2 . ARG A 1 118 ? 12.936 -1.088 -8.909 1.0 98.50 ? 118 ARG A NH2 1 O78126 UNP 118 R +ATOM 944 C CZ . ARG A 1 118 ? 11.823 -1.398 -9.501 1.0 98.50 ? 118 ARG A CZ 1 O78126 UNP 118 R +ATOM 945 N N . MET A 1 119 ? 6.866 -4.445 -6.196 1.0 98.62 ? 119 MET A N 1 O78126 UNP 119 M +ATOM 946 C CA . MET A 1 119 ? 6.818 -3.600 -5.007 1.0 98.62 ? 119 MET A CA 1 O78126 UNP 119 M +ATOM 947 C C . MET A 1 119 ? 8.242 -3.295 -4.556 1.0 98.62 ? 119 MET A C 1 O78126 UNP 119 M +ATOM 948 C CB . MET A 1 119 ? 5.955 -4.248 -3.916 1.0 98.62 ? 119 MET A CB 1 O78126 UNP 119 M +ATOM 949 O O . MET A 1 119 ? 9.087 -4.192 -4.494 1.0 98.62 ? 119 MET A O 1 O78126 UNP 119 M +ATOM 950 C CG . MET A 1 119 ? 5.800 -3.361 -2.671 1.0 98.62 ? 119 MET A CG 1 O78126 UNP 119 M +ATOM 951 S SD . MET A 1 119 ? 7.183 -3.381 -1.493 1.0 98.62 ? 119 MET A SD 1 O78126 UNP 119 M +ATOM 952 C CE . MET A 1 119 ? 6.837 -4.946 -0.652 1.0 98.62 ? 119 MET A CE 1 O78126 UNP 119 M +ATOM 953 N N . TYR A 1 120 ? 8.523 -2.030 -4.267 1.0 98.62 ? 120 TYR A N 1 O78126 UNP 120 Y +ATOM 954 C CA . TYR A 1 120 ? 9.770 -1.637 -3.621 1.0 98.62 ? 120 TYR A CA 1 O78126 UNP 120 Y +ATOM 955 C C . TYR A 1 120 ? 9.558 -0.441 -2.702 1.0 98.62 ? 120 TYR A C 1 O78126 UNP 120 Y +ATOM 956 C CB . TYR A 1 120 ? 10.863 -1.355 -4.663 1.0 98.62 ? 120 TYR A CB 1 O78126 UNP 120 Y +ATOM 957 O O . TYR A 1 120 ? 8.596 0.315 -2.853 1.0 98.62 ? 120 TYR A O 1 O78126 UNP 120 Y +ATOM 958 C CG . TYR A 1 120 ? 10.644 -0.091 -5.465 1.0 98.62 ? 120 TYR A CG 1 O78126 UNP 120 Y +ATOM 959 C CD1 . TYR A 1 120 ? 9.807 -0.119 -6.593 1.0 98.62 ? 120 TYR A CD1 1 O78126 UNP 120 Y +ATOM 960 C CD2 . TYR A 1 120 ? 11.231 1.121 -5.051 1.0 98.62 ? 120 TYR A CD2 1 O78126 UNP 120 Y +ATOM 961 C CE1 . TYR A 1 120 ? 9.565 1.062 -7.310 1.0 98.62 ? 120 TYR A CE1 1 O78126 UNP 120 Y +ATOM 962 C CE2 . TYR A 1 120 ? 10.978 2.309 -5.764 1.0 98.62 ? 120 TYR A CE2 1 O78126 UNP 120 Y +ATOM 963 O OH . TYR A 1 120 ? 9.870 3.424 -7.579 1.0 98.62 ? 120 TYR A OH 1 O78126 UNP 120 Y +ATOM 964 C CZ . TYR A 1 120 ? 10.144 2.281 -6.900 1.0 98.62 ? 120 TYR A CZ 1 O78126 UNP 120 Y +ATOM 965 N N . GLY A 1 121 ? 10.472 -0.261 -1.756 1.0 98.56 ? 121 GLY A N 1 O78126 UNP 121 G +ATOM 966 C CA . GLY A 1 121 ? 10.381 0.827 -0.797 1.0 98.56 ? 121 GLY A CA 1 O78126 UNP 121 G +ATOM 967 C C . GLY A 1 121 ? 11.216 0.604 0.451 1.0 98.56 ? 121 GLY A C 1 O78126 UNP 121 G +ATOM 968 O O . GLY A 1 121 ? 11.923 -0.397 0.553 1.0 98.56 ? 121 GLY A O 1 O78126 UNP 121 G +ATOM 969 N N . CYS A 1 122 ? 11.134 1.538 1.389 1.0 98.56 ? 122 CYS A N 1 O78126 UNP 122 C +ATOM 970 C CA . CYS A 1 122 ? 11.921 1.537 2.617 1.0 98.56 ? 122 CYS A CA 1 O78126 UNP 122 C +ATOM 971 C C . CYS A 1 122 ? 11.059 1.892 3.828 1.0 98.56 ? 122 CYS A C 1 O78126 UNP 122 C +ATOM 972 C CB . CYS A 1 122 ? 13.104 2.509 2.492 1.0 98.56 ? 122 CYS A CB 1 O78126 UNP 122 C +ATOM 973 O O . CYS A 1 122 ? 10.076 2.624 3.699 1.0 98.56 ? 122 CYS A O 1 O78126 UNP 122 C +ATOM 974 S SG . CYS A 1 122 ? 12.644 4.211 2.064 1.0 98.56 ? 122 CYS A SG 1 O78126 UNP 122 C +ATOM 975 N N . ASP A 1 123 ? 11.486 1.400 4.986 1.0 97.81 ? 123 ASP A N 1 O78126 UNP 123 D +ATOM 976 C CA . ASP A 1 123 ? 10.920 1.704 6.295 1.0 97.81 ? 123 ASP A CA 1 O78126 UNP 123 D +ATOM 977 C C . ASP A 1 123 ? 11.955 2.454 7.129 1.0 97.81 ? 123 ASP A C 1 O78126 UNP 123 D +ATOM 978 C CB . ASP A 1 123 ? 10.479 0.426 7.026 1.0 97.81 ? 123 ASP A CB 1 O78126 UNP 123 D +ATOM 979 O O . ASP A 1 123 ? 13.154 2.141 7.092 1.0 97.81 ? 123 ASP A O 1 O78126 UNP 123 D +ATOM 980 C CG . ASP A 1 123 ? 9.430 -0.392 6.273 1.0 97.81 ? 123 ASP A CG 1 O78126 UNP 123 D +ATOM 981 O OD1 . ASP A 1 123 ? 8.856 0.089 5.268 1.0 97.81 ? 123 ASP A OD1 1 O78126 UNP 123 D +ATOM 982 O OD2 . ASP A 1 123 ? 9.251 -1.587 6.602 1.0 97.81 ? 123 ASP A OD2 1 O78126 UNP 123 D +ATOM 983 N N . VAL A 1 124 ? 11.483 3.420 7.908 1.0 96.19 ? 124 VAL A N 1 O78126 UNP 124 V +ATOM 984 C CA . VAL A 1 124 ? 12.270 4.169 8.884 1.0 96.19 ? 124 VAL A CA 1 O78126 UNP 124 V +ATOM 985 C C . VAL A 1 124 ? 11.652 4.047 10.268 1.0 96.19 ? 124 VAL A C 1 O78126 UNP 124 V +ATOM 986 C CB . VAL A 1 124 ? 12.468 5.645 8.497 1.0 96.19 ? 124 VAL A CB 1 O78126 UNP 124 V +ATOM 987 O O . VAL A 1 124 ? 10.435 3.950 10.414 1.0 96.19 ? 124 VAL A O 1 O78126 UNP 124 V +ATOM 988 C CG1 . VAL A 1 124 ? 13.236 5.765 7.177 1.0 96.19 ? 124 VAL A CG1 1 O78126 UNP 124 V +ATOM 989 C CG2 . VAL A 1 124 ? 11.158 6.435 8.397 1.0 96.19 ? 124 VAL A CG2 1 O78126 UNP 124 V +ATOM 990 N N . GLY A 1 125 ? 12.502 4.033 11.288 1.0 92.81 ? 125 GLY A N 1 O78126 UNP 125 G +ATOM 991 C CA . GLY A 1 125 ? 12.065 4.022 12.678 1.0 92.81 ? 125 GLY A CA 1 O78126 UNP 125 G +ATOM 992 C C . GLY A 1 125 ? 11.674 5.409 13.165 1.0 92.81 ? 125 GLY A C 1 O78126 UNP 125 G +ATOM 993 O O . GLY A 1 125 ? 11.826 6.403 12.453 1.0 92.81 ? 125 GLY A O 1 O78126 UNP 125 G +ATOM 994 N N . SER A 1 126 ? 11.269 5.482 14.429 1.0 88.00 ? 126 SER A N 1 O78126 UNP 126 S +ATOM 995 C CA . SER A 1 126 ? 10.931 6.735 15.118 1.0 88.00 ? 126 SER A CA 1 O78126 UNP 126 S +ATOM 996 C C . SER A 1 126 ? 12.101 7.709 15.250 1.0 88.00 ? 126 SER A C 1 O78126 UNP 126 S +ATOM 997 C CB . SER A 1 126 ? 10.360 6.383 16.493 1.0 88.00 ? 126 SER A CB 1 O78126 UNP 126 S +ATOM 998 O O . SER A 1 126 ? 11.906 8.901 15.467 1.0 88.00 ? 126 SER A O 1 O78126 UNP 126 S +ATOM 999 O OG . SER A 1 126 ? 11.335 5.687 17.257 1.0 88.00 ? 126 SER A OG 1 O78126 UNP 126 S +ATOM 1000 N N . ASP A 1 127 ? 13.332 7.218 15.117 1.0 88.25 ? 127 ASP A N 1 O78126 UNP 127 D +ATOM 1001 C CA . ASP A 1 127 ? 14.555 8.019 15.058 1.0 88.25 ? 127 ASP A CA 1 O78126 UNP 127 D +ATOM 1002 C C . ASP A 1 127 ? 14.964 8.389 13.619 1.0 88.25 ? 127 ASP A C 1 O78126 UNP 127 D +ATOM 1003 C CB . ASP A 1 127 ? 15.667 7.276 15.809 1.0 88.25 ? 127 ASP A CB 1 O78126 UNP 127 D +ATOM 1004 O O . ASP A 1 127 ? 16.073 8.883 13.388 1.0 88.25 ? 127 ASP A O 1 O78126 UNP 127 D +ATOM 1005 C CG . ASP A 1 127 ? 16.188 6.035 15.075 1.0 88.25 ? 127 ASP A CG 1 O78126 UNP 127 D +ATOM 1006 O OD1 . ASP A 1 127 ? 15.512 5.548 14.139 1.0 88.25 ? 127 ASP A OD1 1 O78126 UNP 127 D +ATOM 1007 O OD2 . ASP A 1 127 ? 17.313 5.615 15.432 1.0 88.25 ? 127 ASP A OD2 1 O78126 UNP 127 D +ATOM 1008 N N . TRP A 1 128 ? 14.072 8.148 12.653 1.0 87.56 ? 128 TRP A N 1 O78126 UNP 128 W +ATOM 1009 C CA . TRP A 1 128 ? 14.234 8.388 11.220 1.0 87.56 ? 128 TRP A CA 1 O78126 UNP 128 W +ATOM 1010 C C . TRP A 1 128 ? 15.308 7.538 10.548 1.0 87.56 ? 128 TRP A C 1 O78126 UNP 128 W +ATOM 1011 C CB . TRP A 1 128 ? 14.418 9.889 10.958 1.0 87.56 ? 128 TRP A CB 1 O78126 UNP 128 W +ATOM 1012 O O . TRP A 1 128 ? 15.647 7.795 9.386 1.0 87.56 ? 128 TRP A O 1 O78126 UNP 128 W +ATOM 1013 C CG . TRP A 1 128 ? 13.381 10.730 11.615 1.0 87.56 ? 128 TRP A CG 1 O78126 UNP 128 W +ATOM 1014 C CD1 . TRP A 1 128 ? 13.466 11.321 12.828 1.0 87.56 ? 128 TRP A CD1 1 O78126 UNP 128 W +ATOM 1015 C CD2 . TRP A 1 128 ? 12.033 10.972 11.144 1.0 87.56 ? 128 TRP A CD2 1 O78126 UNP 128 W +ATOM 1016 C CE2 . TRP A 1 128 ? 11.326 11.706 12.140 1.0 87.56 ? 128 TRP A CE2 1 O78126 UNP 128 W +ATOM 1017 C CE3 . TRP A 1 128 ? 11.344 10.640 9.965 1.0 87.56 ? 128 TRP A CE3 1 O78126 UNP 128 W +ATOM 1018 N NE1 . TRP A 1 128 ? 12.250 11.894 13.144 1.0 87.56 ? 128 TRP A NE1 1 O78126 UNP 128 W +ATOM 1019 C CH2 . TRP A 1 128 ? 9.322 11.738 10.802 1.0 87.56 ? 128 TRP A CH2 1 O78126 UNP 128 W +ATOM 1020 C CZ2 . TRP A 1 128 ? 9.979 12.063 11.996 1.0 87.56 ? 128 TRP A CZ2 1 O78126 UNP 128 W +ATOM 1021 C CZ3 . TRP A 1 128 ? 10.025 11.071 9.788 1.0 87.56 ? 128 TRP A CZ3 1 O78126 UNP 128 W +ATOM 1022 N N . ARG A 1 129 ? 15.892 6.554 11.236 1.0 93.50 ? 129 ARG A N 1 O78126 UNP 129 R +ATOM 1023 C CA . ARG A 1 129 ? 16.926 5.694 10.655 1.0 93.50 ? 129 ARG A CA 1 O78126 UNP 129 R +ATOM 1024 C C . ARG A 1 129 ? 16.302 4.591 9.822 1.0 93.50 ? 129 ARG A C 1 O78126 UNP 129 R +ATOM 1025 C CB . ARG A 1 129 ? 17.828 5.114 11.743 1.0 93.50 ? 129 ARG A CB 1 O78126 UNP 129 R +ATOM 1026 O O . ARG A 1 129 ? 15.213 4.115 10.120 1.0 93.50 ? 129 ARG A O 1 O78126 UNP 129 R +ATOM 1027 C CG . ARG A 1 129 ? 18.580 6.234 12.465 1.0 93.50 ? 129 ARG A CG 1 O78126 UNP 129 R +ATOM 1028 C CD . ARG A 1 129 ? 19.611 5.627 13.409 1.0 93.50 ? 129 ARG A CD 1 O78126 UNP 129 R +ATOM 1029 N NE . ARG A 1 129 ? 20.230 6.678 14.228 1.0 93.50 ? 129 ARG A NE 1 O78126 UNP 129 R +ATOM 1030 N NH1 . ARG A 1 129 ? 21.857 5.366 15.144 1.0 93.50 ? 129 ARG A NH1 1 O78126 UNP 129 R +ATOM 1031 N NH2 . ARG A 1 129 ? 21.779 7.544 15.646 1.0 93.50 ? 129 ARG A NH2 1 O78126 UNP 129 R +ATOM 1032 C CZ . ARG A 1 129 ? 21.282 6.527 15.001 1.0 93.50 ? 129 ARG A CZ 1 O78126 UNP 129 R +ATOM 1033 N N . PHE A 1 130 ? 17.030 4.190 8.786 1.0 97.00 ? 130 PHE A N 1 O78126 UNP 130 F +ATOM 1034 C CA . PHE A 1 130 ? 16.678 3.049 7.956 1.0 97.00 ? 130 PHE A CA 1 O78126 UNP 130 F +ATOM 1035 C C . PHE A 1 130 ? 16.475 1.795 8.817 1.0 97.00 ? 130 PHE A C 1 O78126 UNP 130 F +ATOM 1036 C CB . PHE A 1 130 ? 17.810 2.820 6.949 1.0 97.00 ? 130 PHE A CB 1 O78126 UNP 130 F +ATOM 1037 O O . PHE A 1 130 ? 17.358 1.438 9.598 1.0 97.00 ? 130 PHE A O 1 O78126 UNP 130 F +ATOM 1038 C CG . PHE A 1 130 ? 17.562 1.631 6.052 1.0 97.00 ? 130 PHE A CG 1 O78126 UNP 130 F +ATOM 1039 C CD1 . PHE A 1 130 ? 18.178 0.396 6.329 1.0 97.00 ? 130 PHE A CD1 1 O78126 UNP 130 F +ATOM 1040 C CD2 . PHE A 1 130 ? 16.669 1.747 4.974 1.0 97.00 ? 130 PHE A CD2 1 O78126 UNP 130 F +ATOM 1041 C CE1 . PHE A 1 130 ? 17.908 -0.717 5.517 1.0 97.00 ? 130 PHE A CE1 1 O78126 UNP 130 F +ATOM 1042 C CE2 . PHE A 1 130 ? 16.405 0.639 4.159 1.0 97.00 ? 130 PHE A CE2 1 O78126 UNP 130 F +ATOM 1043 C CZ . PHE A 1 130 ? 17.025 -0.588 4.432 1.0 97.00 ? 130 PHE A CZ 1 O78126 UNP 130 F +ATOM 1044 N N . LEU A 1 131 ? 15.334 1.129 8.643 1.0 96.44 ? 131 LEU A N 1 O78126 UNP 131 L +ATOM 1045 C CA . LEU A 1 131 ? 15.029 -0.148 9.287 1.0 96.44 ? 131 LEU A CA 1 O78126 UNP 131 L +ATOM 1046 C C . LEU A 1 131 ? 15.068 -1.301 8.295 1.0 96.44 ? 131 LEU A C 1 O78126 UNP 131 L +ATOM 1047 C CB . LEU A 1 131 ? 13.640 -0.088 9.943 1.0 96.44 ? 131 LEU A CB 1 O78126 UNP 131 L +ATOM 1048 O O . LEU A 1 131 ? 15.673 -2.337 8.569 1.0 96.44 ? 131 LEU A O 1 O78126 UNP 131 L +ATOM 1049 C CG . LEU A 1 131 ? 13.528 0.853 11.147 1.0 96.44 ? 131 LEU A CG 1 O78126 UNP 131 L +ATOM 1050 C CD1 . LEU A 1 131 ? 12.101 0.759 11.688 1.0 96.44 ? 131 LEU A CD1 1 O78126 UNP 131 L +ATOM 1051 C CD2 . LEU A 1 131 ? 14.500 0.505 12.274 1.0 96.44 ? 131 LEU A CD2 1 O78126 UNP 131 L +ATOM 1052 N N . ARG A 1 132 ? 14.394 -1.138 7.154 1.0 97.12 ? 132 ARG A N 1 O78126 UNP 132 R +ATOM 1053 C CA . ARG A 1 132 ? 14.195 -2.224 6.196 1.0 97.12 ? 132 ARG A CA 1 O78126 UNP 132 R +ATOM 1054 C C . ARG A 1 132 ? 13.972 -1.695 4.790 1.0 97.12 ? 132 ARG A C 1 O78126 UNP 132 R +ATOM 1055 C CB . ARG A 1 132 ? 13.019 -3.082 6.685 1.0 97.12 ? 132 ARG A CB 1 O78126 UNP 132 R +ATOM 1056 O O . ARG A 1 132 ? 13.398 -0.630 4.596 1.0 97.12 ? 132 ARG A O 1 O78126 UNP 132 R +ATOM 1057 C CG . ARG A 1 132 ? 12.843 -4.356 5.856 1.0 97.12 ? 132 ARG A CG 1 O78126 UNP 132 R +ATOM 1058 C CD . ARG A 1 132 ? 11.968 -5.337 6.631 1.0 97.12 ? 132 ARG A CD 1 O78126 UNP 132 R +ATOM 1059 N NE . ARG A 1 132 ? 11.567 -6.469 5.781 1.0 97.12 ? 132 ARG A NE 1 O78126 UNP 132 R +ATOM 1060 N NH1 . ARG A 1 132 ? 11.398 -8.020 7.460 1.0 97.12 ? 132 ARG A NH1 1 O78126 UNP 132 R +ATOM 1061 N NH2 . ARG A 1 132 ? 11.312 -8.693 5.363 1.0 97.12 ? 132 ARG A NH2 1 O78126 UNP 132 R +ATOM 1062 C CZ . ARG A 1 132 ? 11.402 -7.706 6.200 1.0 97.12 ? 132 ARG A CZ 1 O78126 UNP 132 R +ATOM 1063 N N . GLY A 1 133 ? 14.421 -2.466 3.807 1.0 97.94 ? 133 GLY A N 1 O78126 UNP 133 G +ATOM 1064 C CA . GLY A 1 133 ? 14.226 -2.199 2.389 1.0 97.94 ? 133 GLY A CA 1 O78126 UNP 133 G +ATOM 1065 C C . GLY A 1 133 ? 13.547 -3.381 1.715 1.0 97.94 ? 133 GLY A C 1 O78126 UNP 133 G +ATOM 1066 O O . GLY A 1 133 ? 13.738 -4.530 2.114 1.0 97.94 ? 133 GLY A O 1 O78126 UNP 133 G +ATOM 1067 N N . TYR A 1 134 ? 12.764 -3.092 0.683 1.0 98.44 ? 134 TYR A N 1 O78126 UNP 134 Y +ATOM 1068 C CA . TYR A 1 134 ? 12.006 -4.081 -0.070 1.0 98.44 ? 134 TYR A CA 1 O78126 UNP 134 Y +ATOM 1069 C C . TYR A 1 134 ? 12.233 -3.872 -1.552 1.0 98.44 ? 134 TYR A C 1 O78126 UNP 134 Y +ATOM 1070 C CB . TYR A 1 134 ? 10.507 -3.994 0.237 1.0 98.44 ? 134 TYR A CB 1 O78126 UNP 134 Y +ATOM 1071 O O . TYR A 1 134 ? 12.265 -2.741 -2.043 1.0 98.44 ? 134 TYR A O 1 O78126 UNP 134 Y +ATOM 1072 C CG . TYR A 1 134 ? 10.180 -4.063 1.709 1.0 98.44 ? 134 TYR A CG 1 O78126 UNP 134 Y +ATOM 1073 C CD1 . TYR A 1 134 ? 9.784 -5.272 2.316 1.0 98.44 ? 134 TYR A CD1 1 O78126 UNP 134 Y +ATOM 1074 C CD2 . TYR A 1 134 ? 10.290 -2.892 2.474 1.0 98.44 ? 134 TYR A CD2 1 O78126 UNP 134 Y +ATOM 1075 C CE1 . TYR A 1 134 ? 9.455 -5.288 3.687 1.0 98.44 ? 134 TYR A CE1 1 O78126 UNP 134 Y +ATOM 1076 C CE2 . TYR A 1 134 ? 10.019 -2.921 3.843 1.0 98.44 ? 134 TYR A CE2 1 O78126 UNP 134 Y +ATOM 1077 O OH . TYR A 1 134 ? 9.179 -4.092 5.752 1.0 98.44 ? 134 TYR A OH 1 O78126 UNP 134 Y +ATOM 1078 C CZ . TYR A 1 134 ? 9.555 -4.103 4.450 1.0 98.44 ? 134 TYR A CZ 1 O78126 UNP 134 Y +ATOM 1079 N N . HIS A 1 135 ? 12.351 -4.981 -2.271 1.0 98.56 ? 135 HIS A N 1 O78126 UNP 135 H +ATOM 1080 C CA . HIS A 1 135 ? 12.341 -4.991 -3.720 1.0 98.56 ? 135 HIS A CA 1 O78126 UNP 135 H +ATOM 1081 C C . HIS A 1 135 ? 11.960 -6.386 -4.211 1.0 98.56 ? 135 HIS A C 1 O78126 UNP 135 H +ATOM 1082 C CB . HIS A 1 135 ? 13.717 -4.562 -4.227 1.0 98.56 ? 135 HIS A CB 1 O78126 UNP 135 H +ATOM 1083 O O . HIS A 1 135 ? 12.772 -7.313 -4.178 1.0 98.56 ? 135 HIS A O 1 O78126 UNP 135 H +ATOM 1084 C CG . HIS A 1 135 ? 13.730 -4.420 -5.713 1.0 98.56 ? 135 HIS A CG 1 O78126 UNP 135 H +ATOM 1085 C CD2 . HIS A 1 135 ? 13.543 -3.267 -6.418 1.0 98.56 ? 135 HIS A CD2 1 O78126 UNP 135 H +ATOM 1086 N ND1 . HIS A 1 135 ? 14.020 -5.416 -6.607 1.0 98.56 ? 135 HIS A ND1 1 O78126 UNP 135 H +ATOM 1087 C CE1 . HIS A 1 135 ? 14.096 -4.859 -7.821 1.0 98.56 ? 135 HIS A CE1 1 O78126 UNP 135 H +ATOM 1088 N NE2 . HIS A 1 135 ? 13.746 -3.562 -7.771 1.0 98.56 ? 135 HIS A NE2 1 O78126 UNP 135 H +ATOM 1089 N N . GLN A 1 136 ? 10.718 -6.542 -4.654 1.0 98.50 ? 136 GLN A N 1 O78126 UNP 136 Q +ATOM 1090 C CA . GLN A 1 136 ? 10.146 -7.836 -5.008 1.0 98.50 ? 136 GLN A CA 1 O78126 UNP 136 Q +ATOM 1091 C C . GLN A 1 136 ? 9.276 -7.749 -6.255 1.0 98.50 ? 136 GLN A C 1 O78126 UNP 136 Q +ATOM 1092 C CB . GLN A 1 136 ? 9.391 -8.423 -3.806 1.0 98.50 ? 136 GLN A CB 1 O78126 UNP 136 Q +ATOM 1093 O O . GLN A 1 136 ? 8.620 -6.735 -6.503 1.0 98.50 ? 136 GLN A O 1 O78126 UNP 136 Q +ATOM 1094 C CG . GLN A 1 136 ? 8.198 -7.570 -3.343 1.0 98.50 ? 136 GLN A CG 1 O78126 UNP 136 Q +ATOM 1095 C CD . GLN A 1 136 ? 7.701 -8.006 -1.972 1.0 98.50 ? 136 GLN A CD 1 O78126 UNP 136 Q +ATOM 1096 N NE2 . GLN A 1 136 ? 6.450 -8.383 -1.832 1.0 98.50 ? 136 GLN A NE2 1 O78126 UNP 136 Q +ATOM 1097 O OE1 . GLN A 1 136 ? 8.428 -7.977 -0.995 1.0 98.50 ? 136 GLN A OE1 1 O78126 UNP 136 Q +ATOM 1098 N N . TYR A 1 137 ? 9.284 -8.831 -7.026 1.0 98.62 ? 137 TYR A N 1 O78126 UNP 137 Y +ATOM 1099 C CA . TYR A 1 137 ? 8.466 -9.015 -8.213 1.0 98.62 ? 137 TYR A CA 1 O78126 UNP 137 Y +ATOM 1100 C C . TYR A 1 137 ? 7.558 -10.228 -8.053 1.0 98.62 ? 137 TYR A C 1 O78126 UNP 137 Y +ATOM 1101 C CB . TYR A 1 137 ? 9.329 -9.182 -9.469 1.0 98.62 ? 137 TYR A CB 1 O78126 UNP 137 Y +ATOM 1102 O O . TYR A 1 137 ? 7.967 -11.250 -7.497 1.0 98.62 ? 137 TYR A O 1 O78126 UNP 137 Y +ATOM 1103 C CG . TYR A 1 137 ? 9.950 -7.907 -9.997 1.0 98.62 ? 137 TYR A CG 1 O78126 UNP 137 Y +ATOM 1104 C CD1 . TYR A 1 137 ? 9.470 -7.327 -11.190 1.0 98.62 ? 137 TYR A CD1 1 O78126 UNP 137 Y +ATOM 1105 C CD2 . TYR A 1 137 ? 11.022 -7.312 -9.312 1.0 98.62 ? 137 TYR A CD2 1 O78126 UNP 137 Y +ATOM 1106 C CE1 . TYR A 1 137 ? 10.082 -6.174 -11.721 1.0 98.62 ? 137 TYR A CE1 1 O78126 UNP 137 Y +ATOM 1107 C CE2 . TYR A 1 137 ? 11.608 -6.148 -9.831 1.0 98.62 ? 137 TYR A CE2 1 O78126 UNP 137 Y +ATOM 1108 O OH . TYR A 1 137 ? 11.806 -4.499 -11.543 1.0 98.62 ? 137 TYR A OH 1 O78126 UNP 137 Y +ATOM 1109 C CZ . TYR A 1 137 ? 11.171 -5.593 -11.045 1.0 98.62 ? 137 TYR A CZ 1 O78126 UNP 137 Y +ATOM 1110 N N . ALA A 1 138 ? 6.369 -10.120 -8.634 1.0 98.75 ? 138 ALA A N 1 O78126 UNP 138 A +ATOM 1111 C CA . ALA A 1 138 ? 5.437 -11.216 -8.837 1.0 98.75 ? 138 ALA A CA 1 O78126 UNP 138 A +ATOM 1112 C C . ALA A 1 138 ? 5.047 -11.308 -10.320 1.0 98.75 ? 138 ALA A C 1 O78126 UNP 138 A +ATOM 1113 C CB . ALA A 1 138 ? 4.232 -11.037 -7.905 1.0 98.75 ? 138 ALA A CB 1 O78126 UNP 138 A +ATOM 1114 O O . ALA A 1 138 ? 4.987 -10.295 -11.026 1.0 98.75 ? 138 ALA A O 1 O78126 UNP 138 A +ATOM 1115 N N . TYR A 1 139 ? 4.782 -12.527 -10.781 1.0 98.62 ? 139 TYR A N 1 O78126 UNP 139 Y +ATOM 1116 C CA . TYR A 1 139 ? 4.332 -12.833 -12.135 1.0 98.62 ? 139 TYR A CA 1 O78126 UNP 139 Y +ATOM 1117 C C . TYR A 1 139 ? 3.062 -13.684 -12.080 1.0 98.62 ? 139 TYR A C 1 O78126 UNP 139 Y +ATOM 1118 C CB . TYR A 1 139 ? 5.452 -13.526 -12.917 1.0 98.62 ? 139 TYR A CB 1 O78126 UNP 139 Y +ATOM 1119 O O . TYR A 1 139 ? 3.013 -14.683 -11.364 1.0 98.62 ? 139 TYR A O 1 O78126 UNP 139 Y +ATOM 1120 C CG . TYR A 1 139 ? 5.104 -13.772 -14.373 1.0 98.62 ? 139 TYR A CG 1 O78126 UNP 139 Y +ATOM 1121 C CD1 . TYR A 1 139 ? 5.043 -15.081 -14.886 1.0 98.62 ? 139 TYR A CD1 1 O78126 UNP 139 Y +ATOM 1122 C CD2 . TYR A 1 139 ? 4.830 -12.679 -15.214 1.0 98.62 ? 139 TYR A CD2 1 O78126 UNP 139 Y +ATOM 1123 C CE1 . TYR A 1 139 ? 4.726 -15.291 -16.243 1.0 98.62 ? 139 TYR A CE1 1 O78126 UNP 139 Y +ATOM 1124 C CE2 . TYR A 1 139 ? 4.536 -12.882 -16.571 1.0 98.62 ? 139 TYR A CE2 1 O78126 UNP 139 Y +ATOM 1125 O OH . TYR A 1 139 ? 4.226 -14.356 -18.411 1.0 98.62 ? 139 TYR A OH 1 O78126 UNP 139 Y +ATOM 1126 C CZ . TYR A 1 139 ? 4.480 -14.188 -17.090 1.0 98.62 ? 139 TYR A CZ 1 O78126 UNP 139 Y +ATOM 1127 N N . ASP A 1 140 ? 2.016 -13.261 -12.791 1.0 98.12 ? 140 ASP A N 1 O78126 UNP 140 D +ATOM 1128 C CA . ASP A 1 140 ? 0.687 -13.891 -12.790 1.0 98.12 ? 140 ASP A CA 1 O78126 UNP 140 D +ATOM 1129 C C . ASP A 1 140 ? 0.137 -14.154 -11.369 1.0 98.12 ? 140 ASP A C 1 O78126 UNP 140 D +ATOM 1130 C CB . ASP A 1 140 ? 0.670 -15.111 -13.736 1.0 98.12 ? 140 ASP A CB 1 O78126 UNP 140 D +ATOM 1131 O O . ASP A 1 140 ? -0.459 -15.193 -11.082 1.0 98.12 ? 140 ASP A O 1 O78126 UNP 140 D +ATOM 1132 C CG . ASP A 1 140 ? 0.841 -14.735 -15.215 1.0 98.12 ? 140 ASP A CG 1 O78126 UNP 140 D +ATOM 1133 O OD1 . ASP A 1 140 ? 0.569 -13.561 -15.565 1.0 98.12 ? 140 ASP A OD1 1 O78126 UNP 140 D +ATOM 1134 O OD2 . ASP A 1 140 ? 1.182 -15.633 -16.026 1.0 98.12 ? 140 ASP A OD2 1 O78126 UNP 140 D +ATOM 1135 N N . GLY A 1 141 ? 0.358 -13.193 -10.462 1.0 97.25 ? 141 GLY A N 1 O78126 UNP 141 G +ATOM 1136 C CA . GLY A 1 141 ? -0.109 -13.237 -9.072 1.0 97.25 ? 141 GLY A CA 1 O78126 UNP 141 G +ATOM 1137 C C . GLY A 1 141 ? 0.698 -14.146 -8.139 1.0 97.25 ? 141 GLY A C 1 O78126 UNP 141 G +ATOM 1138 O O . GLY A 1 141 ? 0.290 -14.344 -6.997 1.0 97.25 ? 141 GLY A O 1 O78126 UNP 141 G +ATOM 1139 N N . LYS A 1 142 ? 1.826 -14.704 -8.596 1.0 98.38 ? 142 LYS A N 1 O78126 UNP 142 K +ATOM 1140 C CA . LYS A 1 142 ? 2.728 -15.543 -7.792 1.0 98.38 ? 142 LYS A CA 1 O78126 UNP 142 K +ATOM 1141 C C . LYS A 1 142 ? 4.071 -14.858 -7.594 1.0 98.38 ? 142 LYS A C 1 O78126 UNP 142 K +ATOM 1142 C CB . LYS A 1 142 ? 2.928 -16.902 -8.470 1.0 98.38 ? 142 LYS A CB 1 O78126 UNP 142 K +ATOM 1143 O O . LYS A 1 142 ? 4.556 -14.188 -8.505 1.0 98.38 ? 142 LYS A O 1 O78126 UNP 142 K +ATOM 1144 C CG . LYS A 1 142 ? 1.612 -17.679 -8.588 1.0 98.38 ? 142 LYS A CG 1 O78126 UNP 142 K +ATOM 1145 C CD . LYS A 1 142 ? 1.862 -19.018 -9.278 1.0 98.38 ? 142 LYS A CD 1 O78126 UNP 142 K +ATOM 1146 C CE . LYS A 1 142 ? 0.529 -19.747 -9.443 1.0 98.38 ? 142 LYS A CE 1 O78126 UNP 142 K +ATOM 1147 N NZ . LYS A 1 142 ? 0.721 -21.027 -10.164 1.0 98.38 ? 142 LYS A NZ 1 O78126 UNP 142 K +ATOM 1148 N N . ASP A 1 143 ? 4.684 -15.062 -6.433 1.0 98.62 ? 143 ASP A N 1 O78126 UNP 143 D +ATOM 1149 C CA . ASP A 1 143 ? 6.038 -14.575 -6.170 1.0 98.62 ? 143 ASP A CA 1 O78126 UNP 143 D +ATOM 1150 C C . ASP A 1 143 ? 7.010 -15.057 -7.254 1.0 98.62 ? 143 ASP A C 1 O78126 UNP 143 D +ATOM 1151 C CB . ASP A 1 143 ? 6.526 -15.035 -4.789 1.0 98.62 ? 143 ASP A CB 1 O78126 UNP 143 D +ATOM 1152 O O . ASP A 1 143 ? 6.964 -16.213 -7.673 1.0 98.62 ? 143 ASP A O 1 O78126 UNP 143 D +ATOM 1153 C CG . ASP A 1 143 ? 5.800 -14.345 -3.632 1.0 98.62 ? 143 ASP A CG 1 O78126 UNP 143 D +ATOM 1154 O OD1 . ASP A 1 143 ? 5.350 -13.194 -3.830 1.0 98.62 ? 143 ASP A OD1 1 O78126 UNP 143 D +ATOM 1155 O OD2 . ASP A 1 143 ? 5.733 -14.975 -2.556 1.0 98.62 ? 143 ASP A OD2 1 O78126 UNP 143 D +ATOM 1156 N N . TYR A 1 144 ? 7.888 -14.160 -7.705 1.0 98.75 ? 144 TYR A N 1 O78126 UNP 144 Y +ATOM 1157 C CA . TYR A 1 144 ? 8.896 -14.451 -8.723 1.0 98.75 ? 144 TYR A CA 1 O78126 UNP 144 Y +ATOM 1158 C C . TYR A 1 144 ? 10.306 -14.337 -8.138 1.0 98.75 ? 144 TYR A C 1 O78126 UNP 144 Y +ATOM 1159 C CB . TYR A 1 144 ? 8.671 -13.544 -9.945 1.0 98.75 ? 144 TYR A CB 1 O78126 UNP 144 Y +ATOM 1160 O O . TYR A 1 144 ? 11.015 -15.335 -8.001 1.0 98.75 ? 144 TYR A O 1 O78126 UNP 144 Y +ATOM 1161 C CG . TYR A 1 144 ? 9.680 -13.775 -11.049 1.0 98.75 ? 144 TYR A CG 1 O78126 UNP 144 Y +ATOM 1162 C CD1 . TYR A 1 144 ? 10.638 -12.794 -11.371 1.0 98.75 ? 144 TYR A CD1 1 O78126 UNP 144 Y +ATOM 1163 C CD2 . TYR A 1 144 ? 9.673 -15.002 -11.732 1.0 98.75 ? 144 TYR A CD2 1 O78126 UNP 144 Y +ATOM 1164 C CE1 . TYR A 1 144 ? 11.613 -13.057 -12.352 1.0 98.75 ? 144 TYR A CE1 1 O78126 UNP 144 Y +ATOM 1165 C CE2 . TYR A 1 144 ? 10.636 -15.269 -12.717 1.0 98.75 ? 144 TYR A CE2 1 O78126 UNP 144 Y +ATOM 1166 O OH . TYR A 1 144 ? 12.554 -14.583 -13.956 1.0 98.75 ? 144 TYR A OH 1 O78126 UNP 144 Y +ATOM 1167 C CZ . TYR A 1 144 ? 11.614 -14.302 -13.018 1.0 98.75 ? 144 TYR A CZ 1 O78126 UNP 144 Y +ATOM 1168 N N . ILE A 1 145 ? 10.716 -13.132 -7.735 1.0 98.75 ? 145 ILE A N 1 O78126 UNP 145 I +ATOM 1169 C CA . ILE A 1 145 ? 12.029 -12.884 -7.125 1.0 98.75 ? 145 ILE A CA 1 O78126 UNP 145 I +ATOM 1170 C C . ILE A 1 145 ? 11.937 -11.755 -6.097 1.0 98.75 ? 145 ILE A C 1 O78126 UNP 145 I +ATOM 1171 C CB . ILE A 1 145 ? 13.105 -12.629 -8.213 1.0 98.75 ? 145 ILE A CB 1 O78126 UNP 145 I +ATOM 1172 O O . ILE A 1 145 ? 11.274 -10.745 -6.337 1.0 98.75 ? 145 ILE A O 1 O78126 UNP 145 I +ATOM 1173 C CG1 . ILE A 1 145 ? 14.525 -12.779 -7.627 1.0 98.75 ? 145 ILE A CG1 1 O78126 UNP 145 I +ATOM 1174 C CG2 . ILE A 1 145 ? 12.937 -11.265 -8.905 1.0 98.75 ? 145 ILE A CG2 1 O78126 UNP 145 I +ATOM 1175 C CD1 . ILE A 1 145 ? 15.650 -12.663 -8.662 1.0 98.75 ? 145 ILE A CD1 1 O78126 UNP 145 I +ATOM 1176 N N . ALA A 1 146 ? 12.620 -11.907 -4.963 1.0 98.75 ? 146 ALA A N 1 O78126 UNP 146 A +ATOM 1177 C CA . ALA A 1 146 ? 12.644 -10.922 -3.886 1.0 98.75 ? 146 ALA A CA 1 O78126 UNP 146 A +ATOM 1178 C C . ALA A 1 146 ? 14.066 -10.694 -3.362 1.0 98.75 ? 146 ALA A C 1 O78126 UNP 146 A +ATOM 1179 C CB . ALA A 1 146 ? 11.690 -11.373 -2.775 1.0 98.75 ? 146 ALA A CB 1 O78126 UNP 146 A +ATOM 1180 O O . ALA A 1 146 ? 14.832 -11.643 -3.166 1.0 98.75 ? 146 ALA A O 1 O78126 UNP 146 A +ATOM 1181 N N . LEU A 1 147 ? 14.413 -9.428 -3.130 1.0 98.75 ? 147 LEU A N 1 O78126 UNP 147 L +ATOM 1182 C CA . LEU A 1 147 ? 15.621 -9.036 -2.410 1.0 98.75 ? 147 LEU A CA 1 O78126 UNP 147 L +ATOM 1183 C C . LEU A 1 147 ? 15.457 -9.420 -0.935 1.0 98.75 ? 147 LEU A C 1 O78126 UNP 147 L +ATOM 1184 C CB . LEU A 1 147 ? 15.833 -7.521 -2.593 1.0 98.75 ? 147 LEU A CB 1 O78126 UNP 147 L +ATOM 1185 O O . LEU A 1 147 ? 14.429 -9.115 -0.329 1.0 98.75 ? 147 LEU A O 1 O78126 UNP 147 L +ATOM 1186 C CG . LEU A 1 147 ? 17.146 -6.973 -2.006 1.0 98.75 ? 147 LEU A CG 1 O78126 UNP 147 L +ATOM 1187 C CD1 . LEU A 1 147 ? 18.377 -7.534 -2.722 1.0 98.75 ? 147 LEU A CD1 1 O78126 UNP 147 L +ATOM 1188 C CD2 . LEU A 1 147 ? 17.172 -5.451 -2.158 1.0 98.75 ? 147 LEU A CD2 1 O78126 UNP 147 L +ATOM 1189 N N . LYS A 1 148 ? 16.447 -10.106 -0.360 1.0 98.38 ? 148 LYS A N 1 O78126 UNP 148 K +ATOM 1190 C CA . LYS A 1 148 ? 16.413 -10.485 1.056 1.0 98.38 ? 148 LYS A CA 1 O78126 UNP 148 K +ATOM 1191 C C . LYS A 1 148 ? 16.673 -9.282 1.960 1.0 98.38 ? 148 LYS A C 1 O78126 UNP 148 K +ATOM 1192 C CB . LYS A 1 148 ? 17.412 -11.610 1.341 1.0 98.38 ? 148 LYS A CB 1 O78126 UNP 148 K +ATOM 1193 O O . LYS A 1 148 ? 17.176 -8.250 1.529 1.0 98.38 ? 148 LYS A O 1 O78126 UNP 148 K +ATOM 1194 C CG . LYS A 1 148 ? 17.072 -12.899 0.587 1.0 98.38 ? 148 LYS A CG 1 O78126 UNP 148 K +ATOM 1195 C CD . LYS A 1 148 ? 17.820 -14.063 1.236 1.0 98.38 ? 148 LYS A CD 1 O78126 UNP 148 K +ATOM 1196 C CE . LYS A 1 148 ? 17.991 -15.221 0.257 1.0 98.38 ? 148 LYS A CE 1 O78126 UNP 148 K +ATOM 1197 N NZ . LYS A 1 148 ? 19.007 -16.158 0.781 1.0 98.38 ? 148 LYS A NZ 1 O78126 UNP 148 K +ATOM 1198 N N . GLU A 1 149 ? 16.385 -9.462 3.246 1.0 97.38 ? 149 GLU A N 1 O78126 UNP 149 E +ATOM 1199 C CA . GLU A 1 149 ? 16.595 -8.448 4.289 1.0 97.38 ? 149 GLU A CA 1 O78126 UNP 149 E +ATOM 1200 C C . GLU A 1 149 ? 18.056 -7.985 4.410 1.0 97.38 ? 149 GLU A C 1 O78126 UNP 149 E +ATOM 1201 C CB . GLU A 1 149 ? 16.129 -9.017 5.638 1.0 97.38 ? 149 GLU A CB 1 O78126 UNP 149 E +ATOM 1202 O O . GLU A 1 149 ? 18.307 -6.867 4.839 1.0 97.38 ? 149 GLU A O 1 O78126 UNP 149 E +ATOM 1203 C CG . GLU A 1 149 ? 14.616 -9.281 5.655 1.0 97.38 ? 149 GLU A CG 1 O78126 UNP 149 E +ATOM 1204 C CD . GLU A 1 149 ? 14.104 -9.857 6.984 1.0 97.38 ? 149 GLU A CD 1 O78126 UNP 149 E +ATOM 1205 O OE1 . GLU A 1 149 ? 12.902 -10.222 7.006 1.0 97.38 ? 149 GLU A OE1 1 O78126 UNP 149 E +ATOM 1206 O OE2 . GLU A 1 149 ? 14.876 -9.915 7.960 1.0 97.38 ? 149 GLU A OE2 1 O78126 UNP 149 E +ATOM 1207 N N . ASP A 1 150 ? 19.020 -8.807 3.980 1.0 97.38 ? 150 ASP A N 1 O78126 UNP 150 D +ATOM 1208 C CA . ASP A 1 150 ? 20.441 -8.440 3.935 1.0 97.38 ? 150 ASP A CA 1 O78126 UNP 150 D +ATOM 1209 C C . ASP A 1 150 ? 20.791 -7.409 2.841 1.0 97.38 ? 150 ASP A C 1 O78126 UNP 150 D +ATOM 1210 C CB . ASP A 1 150 ? 21.302 -9.717 3.816 1.0 97.38 ? 150 ASP A CB 1 O78126 UNP 150 D +ATOM 1211 O O . ASP A 1 150 ? 21.923 -6.918 2.812 1.0 97.38 ? 150 ASP A O 1 O78126 UNP 150 D +ATOM 1212 C CG . ASP A 1 150 ? 21.167 -10.489 2.491 1.0 97.38 ? 150 ASP A CG 1 O78126 UNP 150 D +ATOM 1213 O OD1 . ASP A 1 150 ? 20.596 -9.970 1.509 1.0 97.38 ? 150 ASP A OD1 1 O78126 UNP 150 D +ATOM 1214 O OD2 . ASP A 1 150 ? 21.649 -11.639 2.406 1.0 97.38 ? 150 ASP A OD2 1 O78126 UNP 150 D +ATOM 1215 N N . LEU A 1 151 ? 19.844 -7.105 1.938 1.0 98.00 ? 151 LEU A N 1 O78126 UNP 151 L +ATOM 1216 C CA . LEU A 1 151 ? 19.978 -6.236 0.761 1.0 98.00 ? 151 LEU A CA 1 O78126 UNP 151 L +ATOM 1217 C C . LEU A 1 151 ? 21.144 -6.606 -0.167 1.0 98.00 ? 151 LEU A C 1 O78126 UNP 151 L +ATOM 1218 C CB . LEU A 1 151 ? 20.010 -4.758 1.173 1.0 98.00 ? 151 LEU A CB 1 O78126 UNP 151 L +ATOM 1219 O O . LEU A 1 151 ? 21.686 -5.759 -0.879 1.0 98.00 ? 151 LEU A O 1 O78126 UNP 151 L +ATOM 1220 C CG . LEU A 1 151 ? 18.862 -4.309 2.084 1.0 98.00 ? 151 LEU A CG 1 O78126 UNP 151 L +ATOM 1221 C CD1 . LEU A 1 151 ? 19.083 -2.839 2.413 1.0 98.00 ? 151 LEU A CD1 1 O78126 UNP 151 L +ATOM 1222 C CD2 . LEU A 1 151 ? 17.484 -4.468 1.437 1.0 98.00 ? 151 LEU A CD2 1 O78126 UNP 151 L +ATOM 1223 N N . ARG A 1 152 ? 21.560 -7.872 -0.145 1.0 97.38 ? 152 ARG A N 1 O78126 UNP 152 R +ATOM 1224 C CA . ARG A 1 152 ? 22.716 -8.385 -0.895 1.0 97.38 ? 152 ARG A CA 1 O78126 UNP 152 R +ATOM 1225 C C . ARG A 1 152 ? 22.381 -9.638 -1.677 1.0 97.38 ? 152 ARG A C 1 O78126 UNP 152 R +ATOM 1226 C CB . ARG A 1 152 ? 23.851 -8.693 0.086 1.0 97.38 ? 152 ARG A CB 1 O78126 UNP 152 R +ATOM 1227 O O . ARG A 1 152 ? 22.976 -9.868 -2.726 1.0 97.38 ? 152 ARG A O 1 O78126 UNP 152 R +ATOM 1228 C CG . ARG A 1 152 ? 24.464 -7.422 0.680 1.0 97.38 ? 152 ARG A CG 1 O78126 UNP 152 R +ATOM 1229 C CD . ARG A 1 152 ? 25.471 -7.823 1.757 1.0 97.38 ? 152 ARG A CD 1 O78126 UNP 152 R +ATOM 1230 N NE . ARG A 1 152 ? 25.932 -6.651 2.518 1.0 97.38 ? 152 ARG A NE 1 O78126 UNP 152 R +ATOM 1231 N NH1 . ARG A 1 152 ? 28.067 -7.377 2.956 1.0 97.38 ? 152 ARG A NH1 1 O78126 UNP 152 R +ATOM 1232 N NH2 . ARG A 1 152 ? 27.352 -5.442 3.809 1.0 97.38 ? 152 ARG A NH2 1 O78126 UNP 152 R +ATOM 1233 C CZ . ARG A 1 152 ? 27.113 -6.496 3.083 1.0 97.38 ? 152 ARG A CZ 1 O78126 UNP 152 R +ATOM 1234 N N . SER A 1 153 ? 21.462 -10.452 -1.172 1.0 97.56 ? 153 SER A N 1 O78126 UNP 153 S +ATOM 1235 C CA . SER A 1 153 ? 21.111 -11.730 -1.774 1.0 97.56 ? 153 SER A CA 1 O78126 UNP 153 S +ATOM 1236 C C . SER A 1 153 ? 19.644 -11.794 -2.188 1.0 97.56 ? 153 SER A C 1 O78126 UNP 153 S +ATOM 1237 C CB . SER A 1 153 ? 21.541 -12.879 -0.857 1.0 97.56 ? 153 SER A CB 1 O78126 UNP 153 S +ATOM 1238 O O . SER A 1 153 ? 18.803 -11.009 -1.753 1.0 97.56 ? 153 SER A O 1 O78126 UNP 153 S +ATOM 1239 O OG . SER A 1 153 ? 20.736 -13.010 0.295 1.0 97.56 ? 153 SER A OG 1 O78126 UNP 153 S +ATOM 1240 N N . TRP A 1 154 ? 19.342 -12.749 -3.066 1.0 98.69 ? 154 TRP A N 1 O78126 UNP 154 W +ATOM 1241 C CA . TRP A 1 154 ? 18.028 -12.903 -3.684 1.0 98.69 ? 154 TRP A CA 1 O78126 UNP 154 W +ATOM 1242 C C . TRP A 1 154 ? 17.382 -14.239 -3.319 1.0 98.69 ? 154 TRP A C 1 O78126 UNP 154 W +ATOM 1243 C CB . TRP A 1 154 ? 18.171 -12.764 -5.201 1.0 98.69 ? 154 TRP A CB 1 O78126 UNP 154 W +ATOM 1244 O O . TRP A 1 154 ? 18.042 -15.289 -3.282 1.0 98.69 ? 154 TRP A O 1 O78126 UNP 154 W +ATOM 1245 C CG . TRP A 1 154 ? 18.700 -11.445 -5.666 1.0 98.69 ? 154 TRP A CG 1 O78126 UNP 154 W +ATOM 1246 C CD1 . TRP A 1 154 ? 19.993 -11.149 -5.931 1.0 98.69 ? 154 TRP A CD1 1 O78126 UNP 154 W +ATOM 1247 C CD2 . TRP A 1 154 ? 17.955 -10.217 -5.907 1.0 98.69 ? 154 TRP A CD2 1 O78126 UNP 154 W +ATOM 1248 C CE2 . TRP A 1 154 ? 18.866 -9.202 -6.323 1.0 98.69 ? 154 TRP A CE2 1 O78126 UNP 154 W +ATOM 1249 C CE3 . TRP A 1 154 ? 16.594 -9.870 -5.804 1.0 98.69 ? 154 TRP A CE3 1 O78126 UNP 154 W +ATOM 1250 N NE1 . TRP A 1 154 ? 20.096 -9.827 -6.321 1.0 98.69 ? 154 TRP A NE1 1 O78126 UNP 154 W +ATOM 1251 C CH2 . TRP A 1 154 ? 17.073 -7.598 -6.534 1.0 98.69 ? 154 TRP A CH2 1 O78126 UNP 154 W +ATOM 1252 C CZ2 . TRP A 1 154 ? 18.442 -7.905 -6.642 1.0 98.69 ? 154 TRP A CZ2 1 O78126 UNP 154 W +ATOM 1253 C CZ3 . TRP A 1 154 ? 16.157 -8.570 -6.098 1.0 98.69 ? 154 TRP A CZ3 1 O78126 UNP 154 W +ATOM 1254 N N . THR A 1 155 ? 16.069 -14.203 -3.114 1.0 98.56 ? 155 THR A N 1 O78126 UNP 155 T +ATOM 1255 C CA . THR A 1 155 ? 15.194 -15.376 -3.071 1.0 98.56 ? 155 THR A CA 1 O78126 UNP 155 T +ATOM 1256 C C . THR A 1 155 ? 14.467 -15.480 -4.406 1.0 98.56 ? 155 THR A C 1 O78126 UNP 155 T +ATOM 1257 C CB . THR A 1 155 ? 14.193 -15.275 -1.913 1.0 98.56 ? 155 THR A CB 1 O78126 UNP 155 T +ATOM 1258 O O . THR A 1 155 ? 13.773 -14.550 -4.802 1.0 98.56 ? 155 THR A O 1 O78126 UNP 155 T +ATOM 1259 C CG2 . THR A 1 155 ? 13.299 -16.510 -1.809 1.0 98.56 ? 155 THR A CG2 1 O78126 UNP 155 T +ATOM 1260 O OG1 . THR A 1 155 ? 14.893 -15.195 -0.691 1.0 98.56 ? 155 THR A OG1 1 O78126 UNP 155 T +ATOM 1261 N N . ALA A 1 156 ? 14.636 -16.602 -5.102 1.0 98.62 ? 156 ALA A N 1 O78126 UNP 156 A +ATOM 1262 C CA . ALA A 1 156 ? 13.940 -16.918 -6.346 1.0 98.62 ? 156 ALA A CA 1 O78126 UNP 156 A +ATOM 1263 C C . ALA A 1 156 ? 12.872 -17.980 -6.063 1.0 98.62 ? 156 ALA A C 1 O78126 UNP 156 A +ATOM 1264 C CB . ALA A 1 156 ? 14.977 -17.384 -7.374 1.0 98.62 ? 156 ALA A CB 1 O78126 UNP 156 A +ATOM 1265 O O . ALA A 1 156 ? 13.164 -18.956 -5.370 1.0 98.62 ? 156 ALA A O 1 O78126 UNP 156 A +ATOM 1266 N N . ALA A 1 157 ? 11.660 -17.784 -6.581 1.0 98.31 ? 157 ALA A N 1 O78126 UNP 157 A +ATOM 1267 C CA . ALA A 1 157 ? 10.517 -18.643 -6.279 1.0 98.31 ? 157 ALA A CA 1 O78126 UNP 157 A +ATOM 1268 C C . ALA A 1 157 ? 10.540 -19.980 -7.039 1.0 98.31 ? 157 ALA A C 1 O78126 UNP 157 A +ATOM 1269 C CB . ALA A 1 157 ? 9.251 -17.848 -6.596 1.0 98.31 ? 157 ALA A CB 1 O78126 UNP 157 A +ATOM 1270 O O . ALA A 1 157 ? 10.070 -20.993 -6.526 1.0 98.31 ? 157 ALA A O 1 O78126 UNP 157 A +ATOM 1271 N N . ASP A 1 158 ? 11.108 -20.001 -8.246 1.0 97.81 ? 158 ASP A N 1 O78126 UNP 158 D +ATOM 1272 C CA . ASP A 1 158 ? 11.184 -21.189 -9.095 1.0 97.81 ? 158 ASP A CA 1 O78126 UNP 158 D +ATOM 1273 C C . ASP A 1 158 ? 12.416 -21.178 -10.021 1.0 97.81 ? 158 ASP A C 1 O78126 UNP 158 D +ATOM 1274 C CB . ASP A 1 158 ? 9.865 -21.326 -9.880 1.0 97.81 ? 158 ASP A CB 1 O78126 UNP 158 D +ATOM 1275 O O . ASP A 1 158 ? 13.274 -20.292 -9.956 1.0 97.81 ? 158 ASP A O 1 O78126 UNP 158 D +ATOM 1276 C CG . ASP A 1 158 ? 9.610 -20.196 -10.878 1.0 97.81 ? 158 ASP A CG 1 O78126 UNP 158 D +ATOM 1277 O OD1 . ASP A 1 158 ? 10.587 -19.629 -11.417 1.0 97.81 ? 158 ASP A OD1 1 O78126 UNP 158 D +ATOM 1278 O OD2 . ASP A 1 158 ? 8.428 -19.957 -11.191 1.0 97.81 ? 158 ASP A OD2 1 O78126 UNP 158 D +ATOM 1279 N N . MET A 1 159 ? 12.515 -22.180 -10.900 1.0 96.94 ? 159 MET A N 1 O78126 UNP 159 M +ATOM 1280 C CA . MET A 1 159 ? 13.628 -22.327 -11.846 1.0 96.94 ? 159 MET A CA 1 O78126 UNP 159 M +ATOM 1281 C C . MET A 1 159 ? 13.720 -21.187 -12.872 1.0 96.94 ? 159 MET A C 1 O78126 UNP 159 M +ATOM 1282 C CB . MET A 1 159 ? 13.500 -23.668 -12.587 1.0 96.94 ? 159 MET A CB 1 O78126 UNP 159 M +ATOM 1283 O O . MET A 1 159 ? 14.825 -20.815 -13.271 1.0 96.94 ? 159 MET A O 1 O78126 UNP 159 M +ATOM 1284 C CG . MET A 1 159 ? 13.676 -24.882 -11.665 1.0 96.94 ? 159 MET A CG 1 O78126 UNP 159 M +ATOM 1285 S SD . MET A 1 159 ? 15.256 -24.965 -10.769 1.0 96.94 ? 159 MET A SD 1 O78126 UNP 159 M +ATOM 1286 C CE . MET A 1 159 ? 16.435 -24.943 -12.139 1.0 96.94 ? 159 MET A CE 1 O78126 UNP 159 M +ATOM 1287 N N . ALA A 1 160 ? 12.595 -20.600 -13.288 1.0 96.81 ? 160 ALA A N 1 O78126 UNP 160 A +ATOM 1288 C CA . ALA A 1 160 ? 12.609 -19.452 -14.192 1.0 96.81 ? 160 ALA A CA 1 O78126 UNP 160 A +ATOM 1289 C C . ALA A 1 160 ? 13.153 -18.209 -13.473 1.0 96.81 ? 160 ALA A C 1 O78126 UNP 160 A +ATOM 1290 C CB . ALA A 1 160 ? 11.194 -19.224 -14.727 1.0 96.81 ? 160 ALA A CB 1 O78126 UNP 160 A +ATOM 1291 O O . ALA A 1 160 ? 13.945 -17.454 -14.044 1.0 96.81 ? 160 ALA A O 1 O78126 UNP 160 A +ATOM 1292 N N . ALA A 1 161 ? 12.800 -18.024 -12.201 1.0 98.25 ? 161 ALA A N 1 O78126 UNP 161 A +ATOM 1293 C CA . ALA A 1 161 ? 13.340 -16.967 -11.357 1.0 98.25 ? 161 ALA A CA 1 O78126 UNP 161 A +ATOM 1294 C C . ALA A 1 161 ? 14.839 -17.133 -11.056 1.0 98.25 ? 161 ALA A C 1 O78126 UNP 161 A +ATOM 1295 C CB . ALA A 1 161 ? 12.507 -16.899 -10.083 1.0 98.25 ? 161 ALA A CB 1 O78126 UNP 161 A +ATOM 1296 O O . ALA A 1 161 ? 15.546 -16.125 -10.978 1.0 98.25 ? 161 ALA A O 1 O78126 UNP 161 A +ATOM 1297 N N . GLN A 1 162 ? 15.362 -18.366 -10.964 1.0 98.38 ? 162 GLN A N 1 O78126 UNP 162 Q +ATOM 1298 C CA . GLN A 1 162 ? 16.813 -18.601 -10.829 1.0 98.38 ? 162 GLN A CA 1 O78126 UNP 162 Q +ATOM 1299 C C . GLN A 1 162 ? 17.602 -17.987 -11.997 1.0 98.38 ? 162 GLN A C 1 O78126 UNP 162 Q +ATOM 1300 C CB . GLN A 1 162 ? 17.156 -20.098 -10.747 1.0 98.38 ? 162 GLN A CB 1 O78126 UNP 162 Q +ATOM 1301 O O . GLN A 1 162 ? 18.672 -17.415 -11.793 1.0 98.38 ? 162 GLN A O 1 O78126 UNP 162 Q +ATOM 1302 C CG . GLN A 1 162 ? 16.650 -20.818 -9.493 1.0 98.38 ? 162 GLN A CG 1 O78126 UNP 162 Q +ATOM 1303 C CD . GLN A 1 162 ? 17.226 -20.314 -8.173 1.0 98.38 ? 162 GLN A CD 1 O78126 UNP 162 Q +ATOM 1304 N NE2 . GLN A 1 162 ? 16.560 -20.603 -7.077 1.0 98.38 ? 162 GLN A NE2 1 O78126 UNP 162 Q +ATOM 1305 O OE1 . GLN A 1 162 ? 18.260 -19.673 -8.074 1.0 98.38 ? 162 GLN A OE1 1 O78126 UNP 162 Q +ATOM 1306 N N . THR A 1 163 ? 17.051 -18.027 -13.216 1.0 97.50 ? 163 THR A N 1 O78126 UNP 163 T +ATOM 1307 C CA . THR A 1 163 ? 17.673 -17.389 -14.392 1.0 97.50 ? 163 THR A CA 1 O78126 UNP 163 T +ATOM 1308 C C . THR A 1 163 ? 17.858 -15.885 -14.184 1.0 97.50 ? 163 THR A C 1 O78126 UNP 163 T +ATOM 1309 C CB . THR A 1 163 ? 16.843 -17.620 -15.663 1.0 97.50 ? 163 THR A CB 1 O78126 UNP 163 T +ATOM 1310 O O . THR A 1 163 ? 18.930 -15.341 -14.461 1.0 97.50 ? 163 THR A O 1 O78126 UNP 163 T +ATOM 1311 C CG2 . THR A 1 163 ? 17.544 -17.088 -16.911 1.0 97.50 ? 163 THR A CG2 1 O78126 UNP 163 T +ATOM 1312 O OG1 . THR A 1 163 ? 16.672 -18.997 -15.885 1.0 97.50 ? 163 THR A OG1 1 O78126 UNP 163 T +ATOM 1313 N N . THR A 1 164 ? 16.832 -15.198 -13.675 1.0 98.12 ? 164 THR A N 1 O78126 UNP 164 T +ATOM 1314 C CA . THR A 1 164 ? 16.909 -13.760 -13.369 1.0 98.12 ? 164 THR A CA 1 O78126 UNP 164 T +ATOM 1315 C C . THR A 1 164 ? 17.849 -13.488 -12.206 1.0 98.12 ? 164 THR A C 1 O78126 UNP 164 T +ATOM 1316 C CB . THR A 1 164 ? 15.516 -13.184 -13.101 1.0 98.12 ? 164 THR A CB 1 O78126 UNP 164 T +ATOM 1317 O O . THR A 1 164 ? 18.671 -12.578 -12.300 1.0 98.12 ? 164 THR A O 1 O78126 UNP 164 T +ATOM 1318 C CG2 . THR A 1 164 ? 15.528 -11.718 -12.670 1.0 98.12 ? 164 THR A CG2 1 O78126 UNP 164 T +ATOM 1319 O OG1 . THR A 1 164 ? 14.836 -13.245 -14.329 1.0 98.12 ? 164 THR A OG1 1 O78126 UNP 164 T +ATOM 1320 N N . LYS A 1 165 ? 17.803 -14.316 -11.157 1.0 98.62 ? 165 LYS A N 1 O78126 UNP 165 K +ATOM 1321 C CA . LYS A 1 165 ? 18.720 -14.226 -10.019 1.0 98.62 ? 165 LYS A CA 1 O78126 UNP 165 K +ATOM 1322 C C . LYS A 1 165 ? 20.182 -14.246 -10.468 1.0 98.62 ? 165 LYS A C 1 O78126 UNP 165 K +ATOM 1323 C CB . LYS A 1 165 ? 18.397 -15.346 -9.025 1.0 98.62 ? 165 LYS A CB 1 O78126 UNP 165 K +ATOM 1324 O O . LYS A 1 165 ? 20.912 -13.321 -10.135 1.0 98.62 ? 165 LYS A O 1 O78126 UNP 165 K +ATOM 1325 C CG . LYS A 1 165 ? 19.431 -15.395 -7.902 1.0 98.62 ? 165 LYS A CG 1 O78126 UNP 165 K +ATOM 1326 C CD . LYS A 1 165 ? 19.035 -16.424 -6.851 1.0 98.62 ? 165 LYS A CD 1 O78126 UNP 165 K +ATOM 1327 C CE . LYS A 1 165 ? 20.204 -16.532 -5.880 1.0 98.62 ? 165 LYS A CE 1 O78126 UNP 165 K +ATOM 1328 N NZ . LYS A 1 165 ? 19.982 -17.592 -4.884 1.0 98.62 ? 165 LYS A NZ 1 O78126 UNP 165 K +ATOM 1329 N N . HIS A 1 166 ? 20.590 -15.223 -11.278 1.0 98.44 ? 166 HIS A N 1 O78126 UNP 166 H +ATOM 1330 C CA . HIS A 1 166 ? 21.972 -15.305 -11.763 1.0 98.44 ? 166 HIS A CA 1 O78126 UNP 166 H +ATOM 1331 C C . HIS A 1 166 ? 22.386 -14.082 -12.589 1.0 98.44 ? 166 HIS A C 1 O78126 UNP 166 H +ATOM 1332 C CB . HIS A 1 166 ? 22.147 -16.585 -12.586 1.0 98.44 ? 166 HIS A CB 1 O78126 UNP 166 H +ATOM 1333 O O . HIS A 1 166 ? 23.496 -13.578 -12.428 1.0 98.44 ? 166 HIS A O 1 O78126 UNP 166 H +ATOM 1334 C CG . HIS A 1 166 ? 22.092 -17.835 -11.751 1.0 98.44 ? 166 HIS A CG 1 O78126 UNP 166 H +ATOM 1335 C CD2 . HIS A 1 166 ? 21.433 -18.995 -12.057 1.0 98.44 ? 166 HIS A CD2 1 O78126 UNP 166 H +ATOM 1336 N ND1 . HIS A 1 166 ? 22.721 -18.028 -10.540 1.0 98.44 ? 166 HIS A ND1 1 O78126 UNP 166 H +ATOM 1337 C CE1 . HIS A 1 166 ? 22.456 -19.281 -10.138 1.0 98.44 ? 166 HIS A CE1 1 O78126 UNP 166 H +ATOM 1338 N NE2 . HIS A 1 166 ? 21.674 -19.911 -11.030 1.0 98.44 ? 166 HIS A NE2 1 O78126 UNP 166 H +ATOM 1339 N N . LYS A 1 167 ? 21.488 -13.562 -13.438 1.0 97.94 ? 167 LYS A N 1 O78126 UNP 167 K +ATOM 1340 C CA . LYS A 1 167 ? 21.740 -12.328 -14.201 1.0 97.94 ? 167 LYS A CA 1 O78126 UNP 167 K +ATOM 1341 C C . LYS A 1 167 ? 21.930 -11.120 -13.281 1.0 97.94 ? 167 LYS A C 1 O78126 UNP 167 K +ATOM 1342 C CB . LYS A 1 167 ? 20.594 -12.070 -15.191 1.0 97.94 ? 167 LYS A CB 1 O78126 UNP 167 K +ATOM 1343 O O . LYS A 1 167 ? 22.832 -10.320 -13.506 1.0 97.94 ? 167 LYS A O 1 O78126 UNP 167 K +ATOM 1344 C CG . LYS A 1 167 ? 20.620 -13.039 -16.380 1.0 97.94 ? 167 LYS A CG 1 O78126 UNP 167 K +ATOM 1345 C CD . LYS A 1 167 ? 19.431 -12.783 -17.316 1.0 97.94 ? 167 LYS A CD 1 O78126 UNP 167 K +ATOM 1346 C CE . LYS A 1 167 ? 19.539 -13.698 -18.541 1.0 97.94 ? 167 LYS A CE 1 O78126 UNP 167 K +ATOM 1347 N NZ . LYS A 1 167 ? 18.471 -13.430 -19.538 1.0 97.94 ? 167 LYS A NZ 1 O78126 UNP 167 K +ATOM 1348 N N . TRP A 1 168 ? 21.089 -10.979 -12.260 1.0 98.25 ? 168 TRP A N 1 O78126 UNP 168 W +ATOM 1349 C CA . TRP A 1 168 ? 21.136 -9.851 -11.327 1.0 98.25 ? 168 TRP A CA 1 O78126 UNP 168 W +ATOM 1350 C C . TRP A 1 168 ? 22.323 -9.918 -10.367 1.0 98.25 ? 168 TRP A C 1 O78126 UNP 168 W +ATOM 1351 C CB . TRP A 1 168 ? 19.809 -9.776 -10.568 1.0 98.25 ? 168 TRP A CB 1 O78126 UNP 168 W +ATOM 1352 O O . TRP A 1 168 ? 22.893 -8.877 -10.047 1.0 98.25 ? 168 TRP A O 1 O78126 UNP 168 W +ATOM 1353 C CG . TRP A 1 168 ? 18.650 -9.215 -11.336 1.0 98.25 ? 168 TRP A CG 1 O78126 UNP 168 W +ATOM 1354 C CD1 . TRP A 1 168 ? 18.589 -8.983 -12.670 1.0 98.25 ? 168 TRP A CD1 1 O78126 UNP 168 W +ATOM 1355 C CD2 . TRP A 1 168 ? 17.362 -8.785 -10.807 1.0 98.25 ? 168 TRP A CD2 1 O78126 UNP 168 W +ATOM 1356 C CE2 . TRP A 1 168 ? 16.576 -8.274 -11.880 1.0 98.25 ? 168 TRP A CE2 1 O78126 UNP 168 W +ATOM 1357 C CE3 . TRP A 1 168 ? 16.769 -8.799 -9.530 1.0 98.25 ? 168 TRP A CE3 1 O78126 UNP 168 W +ATOM 1358 N NE1 . TRP A 1 168 ? 17.369 -8.425 -12.993 1.0 98.25 ? 168 TRP A NE1 1 O78126 UNP 168 W +ATOM 1359 C CH2 . TRP A 1 168 ? 14.716 -7.824 -10.416 1.0 98.25 ? 168 TRP A CH2 1 O78126 UNP 168 W +ATOM 1360 C CZ2 . TRP A 1 168 ? 15.277 -7.787 -11.699 1.0 98.25 ? 168 TRP A CZ2 1 O78126 UNP 168 W +ATOM 1361 C CZ3 . TRP A 1 168 ? 15.457 -8.326 -9.337 1.0 98.25 ? 168 TRP A CZ3 1 O78126 UNP 168 W +ATOM 1362 N N . GLU A 1 169 ? 22.726 -11.119 -9.948 1.0 98.38 ? 169 GLU A N 1 O78126 UNP 169 E +ATOM 1363 C CA . GLU A 1 169 ? 23.948 -11.342 -9.169 1.0 98.38 ? 169 GLU A CA 1 O78126 UNP 169 E +ATOM 1364 C C . GLU A 1 169 ? 25.191 -10.991 -9.992 1.0 98.38 ? 169 GLU A C 1 O78126 UNP 169 E +ATOM 1365 C CB . GLU A 1 169 ? 24.000 -12.800 -8.674 1.0 98.38 ? 169 GLU A CB 1 O78126 UNP 169 E +ATOM 1366 O O . GLU A 1 169 ? 26.020 -10.213 -9.530 1.0 98.38 ? 169 GLU A O 1 O78126 UNP 169 E +ATOM 1367 C CG . GLU A 1 169 ? 23.001 -13.044 -7.529 1.0 98.38 ? 169 GLU A CG 1 O78126 UNP 169 E +ATOM 1368 C CD . GLU A 1 169 ? 22.902 -14.511 -7.072 1.0 98.38 ? 169 GLU A CD 1 O78126 UNP 169 E +ATOM 1369 O OE1 . GLU A 1 169 ? 22.395 -14.720 -5.941 1.0 98.38 ? 169 GLU A OE1 1 O78126 UNP 169 E +ATOM 1370 O OE2 . GLU A 1 169 ? 23.227 -15.437 -7.853 1.0 98.38 ? 169 GLU A OE2 1 O78126 UNP 169 E +ATOM 1371 N N . ALA A 1 170 ? 25.283 -11.469 -11.239 1.0 98.25 ? 170 ALA A N 1 O78126 UNP 170 A +ATOM 1372 C CA . ALA A 1 170 ? 26.399 -11.145 -12.131 1.0 98.25 ? 170 ALA A CA 1 O78126 UNP 170 A +ATOM 1373 C C . ALA A 1 170 ? 26.491 -9.644 -12.468 1.0 98.25 ? 170 ALA A C 1 O78126 UNP 170 A +ATOM 1374 C CB . ALA A 1 170 ? 26.247 -11.983 -13.406 1.0 98.25 ? 170 ALA A CB 1 O78126 UNP 170 A +ATOM 1375 O O . ALA A 1 170 ? 27.579 -9.125 -12.700 1.0 98.25 ? 170 ALA A O 1 O78126 UNP 170 A +ATOM 1376 N N . ALA A 1 171 ? 25.354 -8.945 -12.495 1.0 97.94 ? 171 ALA A N 1 O78126 UNP 171 A +ATOM 1377 C CA . ALA A 1 171 ? 25.281 -7.507 -12.745 1.0 97.94 ? 171 ALA A CA 1 O78126 UNP 171 A +ATOM 1378 C C . ALA A 1 171 ? 25.314 -6.650 -11.464 1.0 97.94 ? 171 ALA A C 1 O78126 UNP 171 A +ATOM 1379 C CB . ALA A 1 171 ? 24.047 -7.238 -13.616 1.0 97.94 ? 171 ALA A CB 1 O78126 UNP 171 A +ATOM 1380 O O . ALA A 1 171 ? 25.128 -5.437 -11.554 1.0 97.94 ? 171 ALA A O 1 O78126 UNP 171 A +ATOM 1381 N N . HIS A 1 172 ? 25.522 -7.249 -10.283 1.0 97.31 ? 172 HIS A N 1 O78126 UNP 172 H +ATOM 1382 C CA . HIS A 1 172 ? 25.576 -6.545 -8.994 1.0 97.31 ? 172 HIS A CA 1 O78126 UNP 172 H +ATOM 1383 C C . HIS A 1 172 ? 24.351 -5.647 -8.712 1.0 97.31 ? 172 HIS A C 1 O78126 UNP 172 H +ATOM 1384 C CB . HIS A 1 172 ? 26.923 -5.818 -8.851 1.0 97.31 ? 172 HIS A CB 1 O78126 UNP 172 H +ATOM 1385 O O . HIS A 1 172 ? 24.449 -4.606 -8.061 1.0 97.31 ? 172 HIS A O 1 O78126 UNP 172 H +ATOM 1386 C CG . HIS A 1 172 ? 28.093 -6.764 -8.830 1.0 97.31 ? 172 HIS A CG 1 O78126 UNP 172 H +ATOM 1387 C CD2 . HIS A 1 172 ? 28.792 -7.249 -9.904 1.0 97.31 ? 172 HIS A CD2 1 O78126 UNP 172 H +ATOM 1388 N ND1 . HIS A 1 172 ? 28.656 -7.297 -7.696 1.0 97.31 ? 172 HIS A ND1 1 O78126 UNP 172 H +ATOM 1389 C CE1 . HIS A 1 172 ? 29.655 -8.107 -8.083 1.0 97.31 ? 172 HIS A CE1 1 O78126 UNP 172 H +ATOM 1390 N NE2 . HIS A 1 172 ? 29.790 -8.103 -9.420 1.0 97.31 ? 172 HIS A NE2 1 O78126 UNP 172 H +ATOM 1391 N N . VAL A 1 173 ? 23.159 -6.053 -9.170 1.0 98.12 ? 173 VAL A N 1 O78126 UNP 173 V +ATOM 1392 C CA . VAL A 1 173 ? 21.925 -5.244 -9.064 1.0 98.12 ? 173 VAL A CA 1 O78126 UNP 173 V +ATOM 1393 C C . VAL A 1 173 ? 21.566 -4.936 -7.606 1.0 98.12 ? 173 VAL A C 1 O78126 UNP 173 V +ATOM 1394 C CB . VAL A 1 173 ? 20.753 -5.957 -9.772 1.0 98.12 ? 173 VAL A CB 1 O78126 UNP 173 V +ATOM 1395 O O . VAL A 1 173 ? 21.059 -3.856 -7.304 1.0 98.12 ? 173 VAL A O 1 O78126 UNP 173 V +ATOM 1396 C CG1 . VAL A 1 173 ? 19.413 -5.227 -9.624 1.0 98.12 ? 173 VAL A CG1 1 O78126 UNP 173 V +ATOM 1397 C CG2 . VAL A 1 173 ? 21.029 -6.093 -11.274 1.0 98.12 ? 173 VAL A CG2 1 O78126 UNP 173 V +ATOM 1398 N N . ALA A 1 174 ? 21.860 -5.858 -6.684 1.0 98.31 ? 174 ALA A N 1 O78126 UNP 174 A +ATOM 1399 C CA . ALA A 1 174 ? 21.589 -5.670 -5.260 1.0 98.31 ? 174 ALA A CA 1 O78126 UNP 174 A +ATOM 1400 C C . ALA A 1 174 ? 22.330 -4.455 -4.672 1.0 98.31 ? 174 ALA A C 1 O78126 UNP 174 A +ATOM 1401 C CB . ALA A 1 174 ? 21.949 -6.958 -4.513 1.0 98.31 ? 174 ALA A CB 1 O78126 UNP 174 A +ATOM 1402 O O . ALA A 1 174 ? 21.756 -3.736 -3.862 1.0 98.31 ? 174 ALA A O 1 O78126 UNP 174 A +ATOM 1403 N N . GLU A 1 175 ? 23.559 -4.169 -5.115 1.0 97.56 ? 175 GLU A N 1 O78126 UNP 175 E +ATOM 1404 C CA . GLU A 1 175 ? 24.350 -3.039 -4.606 1.0 97.56 ? 175 GLU A CA 1 O78126 UNP 175 E +ATOM 1405 C C . GLU A 1 175 ? 23.719 -1.692 -4.980 1.0 97.56 ? 175 GLU A C 1 O78126 UNP 175 E +ATOM 1406 C CB . GLU A 1 175 ? 25.788 -3.120 -5.144 1.0 97.56 ? 175 GLU A CB 1 O78126 UNP 175 E +ATOM 1407 O O . GLU A 1 175 ? 23.605 -0.798 -4.139 1.0 97.56 ? 175 GLU A O 1 O78126 UNP 175 E +ATOM 1408 C CG . GLU A 1 175 ? 26.545 -4.357 -4.631 1.0 97.56 ? 175 GLU A CG 1 O78126 UNP 175 E +ATOM 1409 C CD . GLU A 1 175 ? 27.937 -4.519 -5.265 1.0 97.56 ? 175 GLU A CD 1 O78126 UNP 175 E +ATOM 1410 O OE1 . GLU A 1 175 ? 28.429 -5.674 -5.267 1.0 97.56 ? 175 GLU A OE1 1 O78126 UNP 175 E +ATOM 1411 O OE2 . GLU A 1 175 ? 28.495 -3.507 -5.741 1.0 97.56 ? 175 GLU A OE2 1 O78126 UNP 175 E +ATOM 1412 N N . GLN A 1 176 ? 23.229 -1.569 -6.218 1.0 96.62 ? 176 GLN A N 1 O78126 UNP 176 Q +ATOM 1413 C CA . GLN A 1 176 ? 22.529 -0.371 -6.691 1.0 96.62 ? 176 GLN A CA 1 O78126 UNP 176 Q +ATOM 1414 C C . GLN A 1 176 ? 21.211 -0.154 -5.940 1.0 96.62 ? 176 GLN A C 1 O78126 UNP 176 Q +ATOM 1415 C CB . GLN A 1 176 ? 22.237 -0.496 -8.193 1.0 96.62 ? 176 GLN A CB 1 O78126 UNP 176 Q +ATOM 1416 O O . GLN A 1 176 ? 20.904 0.962 -5.516 1.0 96.62 ? 176 GLN A O 1 O78126 UNP 176 Q +ATOM 1417 C CG . GLN A 1 176 ? 23.508 -0.561 -9.052 1.0 96.62 ? 176 GLN A CG 1 O78126 UNP 176 Q +ATOM 1418 C CD . GLN A 1 176 ? 23.200 -0.679 -10.541 1.0 96.62 ? 176 GLN A CD 1 O78126 UNP 176 Q +ATOM 1419 N NE2 . GLN A 1 176 ? 24.203 -0.604 -11.386 1.0 96.62 ? 176 GLN A NE2 1 O78126 UNP 176 Q +ATOM 1420 O OE1 . GLN A 1 176 ? 22.074 -0.839 -10.982 1.0 96.62 ? 176 GLN A OE1 1 O78126 UNP 176 Q +ATOM 1421 N N . LEU A 1 177 ? 20.438 -1.227 -5.747 1.0 98.00 ? 177 LEU A N 1 O78126 UNP 177 L +ATOM 1422 C CA . LEU A 1 177 ? 19.181 -1.166 -5.004 1.0 98.00 ? 177 LEU A CA 1 O78126 UNP 177 L +ATOM 1423 C C . LEU A 1 177 ? 19.416 -0.822 -3.540 1.0 98.00 ? 177 LEU A C 1 O78126 UNP 177 L +ATOM 1424 C CB . LEU A 1 177 ? 18.443 -2.502 -5.121 1.0 98.00 ? 177 LEU A CB 1 O78126 UNP 177 L +ATOM 1425 O O . LEU A 1 177 ? 18.703 0.015 -2.998 1.0 98.00 ? 177 LEU A O 1 O78126 UNP 177 L +ATOM 1426 C CG . LEU A 1 177 ? 17.913 -2.778 -6.533 1.0 98.00 ? 177 LEU A CG 1 O78126 UNP 177 L +ATOM 1427 C CD1 . LEU A 1 177 ? 17.346 -4.186 -6.542 1.0 98.00 ? 177 LEU A CD1 1 O78126 UNP 177 L +ATOM 1428 C CD2 . LEU A 1 177 ? 16.808 -1.806 -6.953 1.0 98.00 ? 177 LEU A CD2 1 O78126 UNP 177 L +ATOM 1429 N N . ARG A 1 178 ? 20.439 -1.407 -2.915 1.0 98.31 ? 178 ARG A N 1 O78126 UNP 178 R +ATOM 1430 C CA . ARG A 1 178 ? 20.822 -1.096 -1.541 1.0 98.31 ? 178 ARG A CA 1 O78126 UNP 178 R +ATOM 1431 C C . ARG A 1 178 ? 21.166 0.381 -1.374 1.0 98.31 ? 178 ARG A C 1 O78126 UNP 178 R +ATOM 1432 C CB . ARG A 1 178 ? 21.980 -2.013 -1.145 1.0 98.31 ? 178 ARG A CB 1 O78126 UNP 178 R +ATOM 1433 O O . ARG A 1 178 ? 20.642 1.008 -0.461 1.0 98.31 ? 178 ARG A O 1 O78126 UNP 178 R +ATOM 1434 C CG . ARG A 1 178 ? 22.372 -1.772 0.308 1.0 98.31 ? 178 ARG A CG 1 O78126 UNP 178 R +ATOM 1435 C CD . ARG A 1 178 ? 23.429 -2.780 0.740 1.0 98.31 ? 178 ARG A CD 1 O78126 UNP 178 R +ATOM 1436 N NE . ARG A 1 178 ? 23.745 -2.517 2.144 1.0 98.31 ? 178 ARG A NE 1 O78126 UNP 178 R +ATOM 1437 N NH1 . ARG A 1 178 ? 25.958 -3.071 2.177 1.0 98.31 ? 178 ARG A NH1 1 O78126 UNP 178 R +ATOM 1438 N NH2 . ARG A 1 178 ? 24.997 -1.922 3.876 1.0 98.31 ? 178 ARG A NH2 1 O78126 UNP 178 R +ATOM 1439 C CZ . ARG A 1 178 ? 24.909 -2.516 2.728 1.0 98.31 ? 178 ARG A CZ 1 O78126 UNP 178 R +ATOM 1440 N N . ALA A 1 179 ? 21.966 0.950 -2.278 1.0 98.19 ? 179 ALA A N 1 O78126 UNP 179 A +ATOM 1441 C CA . ALA A 1 179 ? 22.309 2.373 -2.240 1.0 98.19 ? 179 ALA A CA 1 O78126 UNP 179 A +ATOM 1442 C C . ALA A 1 179 ? 21.064 3.277 -2.328 1.0 98.19 ? 179 ALA A C 1 O78126 UNP 179 A +ATOM 1443 C CB . ALA A 1 179 ? 23.298 2.662 -3.376 1.0 98.19 ? 179 ALA A CB 1 O78126 UNP 179 A +ATOM 1444 O O . ALA A 1 179 ? 20.946 4.249 -1.582 1.0 98.19 ? 179 ALA A O 1 O78126 UNP 179 A +ATOM 1445 N N . TYR A 1 180 ? 20.103 2.934 -3.192 1.0 98.12 ? 180 TYR A N 1 O78126 UNP 180 Y +ATOM 1446 C CA . TYR A 1 180 ? 18.831 3.654 -3.273 1.0 98.12 ? 180 TYR A CA 1 O78126 UNP 180 Y +ATOM 1447 C C . TYR A 1 180 ? 17.984 3.491 -2.000 1.0 98.12 ? 180 TYR A C 1 O78126 UNP 180 Y +ATOM 1448 C CB . TYR A 1 180 ? 18.054 3.187 -4.512 1.0 98.12 ? 180 TYR A CB 1 O78126 UNP 180 Y +ATOM 1449 O O . TYR A 1 180 ? 17.462 4.478 -1.487 1.0 98.12 ? 180 TYR A O 1 O78126 UNP 180 Y +ATOM 1450 C CG . TYR A 1 180 ? 16.634 3.721 -4.567 1.0 98.12 ? 180 TYR A CG 1 O78126 UNP 180 Y +ATOM 1451 C CD1 . TYR A 1 180 ? 15.566 2.921 -4.115 1.0 98.12 ? 180 TYR A CD1 1 O78126 UNP 180 Y +ATOM 1452 C CD2 . TYR A 1 180 ? 16.391 5.038 -5.001 1.0 98.12 ? 180 TYR A CD2 1 O78126 UNP 180 Y +ATOM 1453 C CE1 . TYR A 1 180 ? 14.257 3.437 -4.096 1.0 98.12 ? 180 TYR A CE1 1 O78126 UNP 180 Y +ATOM 1454 C CE2 . TYR A 1 180 ? 15.081 5.557 -4.986 1.0 98.12 ? 180 TYR A CE2 1 O78126 UNP 180 Y +ATOM 1455 O OH . TYR A 1 180 ? 12.747 5.250 -4.505 1.0 98.12 ? 180 TYR A OH 1 O78126 UNP 180 Y +ATOM 1456 C CZ . TYR A 1 180 ? 14.012 4.755 -4.531 1.0 98.12 ? 180 TYR A CZ 1 O78126 UNP 180 Y +ATOM 1457 N N . LEU A 1 181 ? 17.836 2.262 -1.498 1.0 98.56 ? 181 LEU A N 1 O78126 UNP 181 L +ATOM 1458 C CA . LEU A 1 181 ? 16.957 1.929 -0.373 1.0 98.56 ? 181 LEU A CA 1 O78126 UNP 181 L +ATOM 1459 C C . LEU A 1 181 ? 17.465 2.494 0.960 1.0 98.56 ? 181 LEU A C 1 O78126 UNP 181 L +ATOM 1460 C CB . LEU A 1 181 ? 16.794 0.399 -0.289 1.0 98.56 ? 181 LEU A CB 1 O78126 UNP 181 L +ATOM 1461 O O . LEU A 1 181 ? 16.663 3.025 1.721 1.0 98.56 ? 181 LEU A O 1 O78126 UNP 181 L +ATOM 1462 C CG . LEU A 1 181 ? 15.960 -0.229 -1.423 1.0 98.56 ? 181 LEU A CG 1 O78126 UNP 181 L +ATOM 1463 C CD1 . LEU A 1 181 ? 16.052 -1.755 -1.351 1.0 98.56 ? 181 LEU A CD1 1 O78126 UNP 181 L +ATOM 1464 C CD2 . LEU A 1 181 ? 14.492 0.174 -1.333 1.0 98.56 ? 181 LEU A CD2 1 O78126 UNP 181 L +ATOM 1465 N N . GLU A 1 182 ? 18.772 2.410 1.225 1.0 98.19 ? 182 GLU A N 1 O78126 UNP 182 E +ATOM 1466 C CA . GLU A 1 182 ? 19.392 2.932 2.455 1.0 98.19 ? 182 GLU A CA 1 O78126 UNP 182 E +ATOM 1467 C C . GLU A 1 182 ? 19.591 4.461 2.414 1.0 98.19 ? 182 GLU A C 1 O78126 UNP 182 E +ATOM 1468 C CB . GLU A 1 182 ? 20.744 2.227 2.719 1.0 98.19 ? 182 GLU A CB 1 O78126 UNP 182 E +ATOM 1469 O O . GLU A 1 182 ? 19.651 5.094 3.467 1.0 98.19 ? 182 GLU A O 1 O78126 UNP 182 E +ATOM 1470 C CG . GLU A 1 182 ? 20.630 0.731 3.085 1.0 98.19 ? 182 GLU A CG 1 O78126 UNP 182 E +ATOM 1471 C CD . GLU A 1 182 ? 21.983 0.045 3.400 1.0 98.19 ? 182 GLU A CD 1 O78126 UNP 182 E +ATOM 1472 O OE1 . GLU A 1 182 ? 22.006 -1.141 3.809 1.0 98.19 ? 182 GLU A OE1 1 O78126 UNP 182 E +ATOM 1473 O OE2 . GLU A 1 182 ? 23.074 0.610 3.173 1.0 98.19 ? 182 GLU A OE2 1 O78126 UNP 182 E +ATOM 1474 N N . GLY A 1 183 ? 19.700 5.056 1.219 1.0 97.88 ? 183 GLY A N 1 O78126 UNP 183 G +ATOM 1475 C CA . GLY A 1 183 ? 19.954 6.486 1.022 1.0 97.88 ? 183 GLY A CA 1 O78126 UNP 183 G +ATOM 1476 C C . GLY A 1 183 ? 18.735 7.239 0.496 1.0 97.88 ? 183 GLY A C 1 O78126 UNP 183 G +ATOM 1477 O O . GLY A 1 183 ? 17.894 7.712 1.259 1.0 97.88 ? 183 GLY A O 1 O78126 UNP 183 G +ATOM 1478 N N . THR A 1 184 ? 18.632 7.346 -0.830 1.0 97.81 ? 184 THR A N 1 O78126 UNP 184 T +ATOM 1479 C CA . THR A 1 184 ? 17.649 8.198 -1.520 1.0 97.81 ? 184 THR A CA 1 O78126 UNP 184 T +ATOM 1480 C C . THR A 1 184 ? 16.202 7.940 -1.089 1.0 97.81 ? 184 THR A C 1 O78126 UNP 184 T +ATOM 1481 C CB . THR A 1 184 ? 17.777 7.983 -3.034 1.0 97.81 ? 184 THR A CB 1 O78126 UNP 184 T +ATOM 1482 O O . THR A 1 184 ? 15.438 8.885 -0.927 1.0 97.81 ? 184 THR A O 1 O78126 UNP 184 T +ATOM 1483 C CG2 . THR A 1 184 ? 16.874 8.875 -3.882 1.0 97.81 ? 184 THR A CG2 1 O78126 UNP 184 T +ATOM 1484 O OG1 . THR A 1 184 ? 19.097 8.238 -3.450 1.0 97.81 ? 184 THR A OG1 1 O78126 UNP 184 T +ATOM 1485 N N . CYS A 1 185 ? 15.804 6.683 -0.881 1.0 98.44 ? 185 CYS A N 1 O78126 UNP 185 C +ATOM 1486 C CA . CYS A 1 185 ? 14.457 6.347 -0.420 1.0 98.44 ? 185 CYS A CA 1 O78126 UNP 185 C +ATOM 1487 C C . CYS A 1 185 ? 14.155 6.969 0.954 1.0 98.44 ? 185 CYS A C 1 O78126 UNP 185 C +ATOM 1488 C CB . CYS A 1 185 ? 14.312 4.820 -0.405 1.0 98.44 ? 185 CYS A CB 1 O78126 UNP 185 C +ATOM 1489 O O . CYS A 1 185 ? 13.118 7.606 1.127 1.0 98.44 ? 185 CYS A O 1 O78126 UNP 185 C +ATOM 1490 S SG . CYS A 1 185 ? 12.658 4.216 0.023 1.0 98.44 ? 185 CYS A SG 1 O78126 UNP 185 C +ATOM 1491 N N . VAL A 1 186 ? 15.090 6.850 1.901 1.0 98.19 ? 186 VAL A N 1 O78126 UNP 186 V +ATOM 1492 C CA . VAL A 1 186 ? 14.973 7.411 3.256 1.0 98.19 ? 186 VAL A CA 1 O78126 UNP 186 V +ATOM 1493 C C . VAL A 1 186 ? 14.955 8.939 3.220 1.0 98.19 ? 186 VAL A C 1 O78126 UNP 186 V +ATOM 1494 C CB . VAL A 1 186 ? 16.129 6.896 4.137 1.0 98.19 ? 186 VAL A CB 1 O78126 UNP 186 V +ATOM 1495 O O . VAL A 1 186 ? 14.165 9.561 3.928 1.0 98.19 ? 186 VAL A O 1 O78126 UNP 186 V +ATOM 1496 C CG1 . VAL A 1 186 ? 16.183 7.564 5.517 1.0 98.19 ? 186 VAL A CG1 1 O78126 UNP 186 V +ATOM 1497 C CG2 . VAL A 1 186 ? 16.009 5.384 4.339 1.0 98.19 ? 186 VAL A CG2 1 O78126 UNP 186 V +ATOM 1498 N N . GLU A 1 187 ? 15.790 9.556 2.381 1.0 97.81 ? 187 GLU A N 1 O78126 UNP 187 E +ATOM 1499 C CA . GLU A 1 187 ? 15.822 11.014 2.200 1.0 97.81 ? 187 GLU A CA 1 O78126 UNP 187 E +ATOM 1500 C C . GLU A 1 187 ? 14.483 11.558 1.684 1.0 97.81 ? 187 GLU A C 1 O78126 UNP 187 E +ATOM 1501 C CB . GLU A 1 187 ? 16.942 11.395 1.223 1.0 97.81 ? 187 GLU A CB 1 O78126 UNP 187 E +ATOM 1502 O O . GLU A 1 187 ? 13.950 12.519 2.244 1.0 97.81 ? 187 GLU A O 1 O78126 UNP 187 E +ATOM 1503 C CG . GLU A 1 187 ? 18.344 11.176 1.812 1.0 97.81 ? 187 GLU A CG 1 O78126 UNP 187 E +ATOM 1504 C CD . GLU A 1 187 ? 19.469 11.418 0.792 1.0 97.81 ? 187 GLU A CD 1 O78126 UNP 187 E +ATOM 1505 O OE1 . GLU A 1 187 ? 20.637 11.436 1.237 1.0 97.81 ? 187 GLU A OE1 1 O78126 UNP 187 E +ATOM 1506 O OE2 . GLU A 1 187 ? 19.172 11.554 -0.419 1.0 97.81 ? 187 GLU A OE2 1 O78126 UNP 187 E +ATOM 1507 N N . TRP A 1 188 ? 13.906 10.917 0.662 1.0 97.88 ? 188 TRP A N 1 O78126 UNP 188 W +ATOM 1508 C CA . TRP A 1 188 ? 12.594 11.296 0.136 1.0 97.88 ? 188 TRP A CA 1 O78126 UNP 188 W +ATOM 1509 C C . TRP A 1 188 ? 11.475 11.069 1.146 1.0 97.88 ? 188 TRP A C 1 O78126 UNP 188 W +ATOM 1510 C CB . TRP A 1 188 ? 12.298 10.549 -1.166 1.0 97.88 ? 188 TRP A CB 1 O78126 UNP 188 W +ATOM 1511 O O . TRP A 1 188 ? 10.650 11.959 1.326 1.0 97.88 ? 188 TRP A O 1 O78126 UNP 188 W +ATOM 1512 C CG . TRP A 1 188 ? 12.938 11.164 -2.366 1.0 97.88 ? 188 TRP A CG 1 O78126 UNP 188 W +ATOM 1513 C CD1 . TRP A 1 188 ? 13.944 10.633 -3.087 1.0 97.88 ? 188 TRP A CD1 1 O78126 UNP 188 W +ATOM 1514 C CD2 . TRP A 1 188 ? 12.648 12.453 -2.982 1.0 97.88 ? 188 TRP A CD2 1 O78126 UNP 188 W +ATOM 1515 C CE2 . TRP A 1 188 ? 13.534 12.636 -4.084 1.0 97.88 ? 188 TRP A CE2 1 O78126 UNP 188 W +ATOM 1516 C CE3 . TRP A 1 188 ? 11.733 13.490 -2.707 1.0 97.88 ? 188 TRP A CE3 1 O78126 UNP 188 W +ATOM 1517 N NE1 . TRP A 1 188 ? 14.322 11.506 -4.086 1.0 97.88 ? 188 TRP A NE1 1 O78126 UNP 188 W +ATOM 1518 C CH2 . TRP A 1 188 ? 12.569 14.794 -4.594 1.0 97.88 ? 188 TRP A CH2 1 O78126 UNP 188 W +ATOM 1519 C CZ2 . TRP A 1 188 ? 13.508 13.789 -4.882 1.0 97.88 ? 188 TRP A CZ2 1 O78126 UNP 188 W +ATOM 1520 C CZ3 . TRP A 1 188 ? 11.678 14.640 -3.517 1.0 97.88 ? 188 TRP A CZ3 1 O78126 UNP 188 W +ATOM 1521 N N . LEU A 1 189 ? 11.472 9.932 1.847 1.0 98.06 ? 189 LEU A N 1 O78126 UNP 189 L +ATOM 1522 C CA . LEU A 1 189 ? 10.474 9.648 2.877 1.0 98.06 ? 189 LEU A CA 1 O78126 UNP 189 L +ATOM 1523 C C . LEU A 1 189 ? 10.489 10.718 3.978 1.0 98.06 ? 189 LEU A C 1 O78126 UNP 189 L +ATOM 1524 C CB . LEU A 1 189 ? 10.718 8.229 3.415 1.0 98.06 ? 189 LEU A CB 1 O78126 UNP 189 L +ATOM 1525 O O . LEU A 1 189 ? 9.437 11.244 4.332 1.0 98.06 ? 189 LEU A O 1 O78126 UNP 189 L +ATOM 1526 C CG . LEU A 1 189 ? 9.784 7.795 4.559 1.0 98.06 ? 189 LEU A CG 1 O78126 UNP 189 L +ATOM 1527 C CD1 . LEU A 1 189 ? 8.294 7.996 4.270 1.0 98.06 ? 189 LEU A CD1 1 O78126 UNP 189 L +ATOM 1528 C CD2 . LEU A 1 189 ? 10.033 6.319 4.850 1.0 98.06 ? 189 LEU A CD2 1 O78126 UNP 189 L +ATOM 1529 N N . ARG A 1 190 ? 11.672 11.127 4.455 1.0 95.94 ? 190 ARG A N 1 O78126 UNP 190 R +ATOM 1530 C CA . ARG A 1 190 ? 11.804 12.228 5.429 1.0 95.94 ? 190 ARG A CA 1 O78126 UNP 190 R +ATOM 1531 C C . ARG A 1 190 ? 11.252 13.546 4.886 1.0 95.94 ? 190 ARG A C 1 O78126 UNP 190 R +ATOM 1532 C CB . ARG A 1 190 ? 13.270 12.405 5.833 1.0 95.94 ? 190 ARG A CB 1 O78126 UNP 190 R +ATOM 1533 O O . ARG A 1 190 ? 10.510 14.224 5.590 1.0 95.94 ? 190 ARG A O 1 O78126 UNP 190 R +ATOM 1534 C CG . ARG A 1 190 ? 13.780 11.277 6.739 1.0 95.94 ? 190 ARG A CG 1 O78126 UNP 190 R +ATOM 1535 C CD . ARG A 1 190 ? 15.281 11.492 6.937 1.0 95.94 ? 190 ARG A CD 1 O78126 UNP 190 R +ATOM 1536 N NE . ARG A 1 190 ? 15.925 10.432 7.732 1.0 95.94 ? 190 ARG A NE 1 O78126 UNP 190 R +ATOM 1537 N NH1 . ARG A 1 190 ? 18.005 11.395 7.763 1.0 95.94 ? 190 ARG A NH1 1 O78126 UNP 190 R +ATOM 1538 N NH2 . ARG A 1 190 ? 17.693 9.428 8.745 1.0 95.94 ? 190 ARG A NH2 1 O78126 UNP 190 R +ATOM 1539 C CZ . ARG A 1 190 ? 17.196 10.422 8.078 1.0 95.94 ? 190 ARG A CZ 1 O78126 UNP 190 R +ATOM 1540 N N . ARG A 1 191 ? 11.576 13.899 3.637 1.0 96.50 ? 191 ARG A N 1 O78126 UNP 191 R +ATOM 1541 C CA . ARG A 1 191 ? 11.043 15.108 2.988 1.0 96.50 ? 191 ARG A CA 1 O78126 UNP 191 R +ATOM 1542 C C . ARG A 1 191 ? 9.517 15.067 2.901 1.0 96.50 ? 191 ARG A C 1 O78126 UNP 191 R +ATOM 1543 C CB . ARG A 1 191 ? 11.695 15.281 1.609 1.0 96.50 ? 191 ARG A CB 1 O78126 UNP 191 R +ATOM 1544 O O . ARG A 1 191 ? 8.872 16.055 3.226 1.0 96.50 ? 191 ARG A O 1 O78126 UNP 191 R +ATOM 1545 C CG . ARG A 1 191 ? 11.181 16.523 0.863 1.0 96.50 ? 191 ARG A CG 1 O78126 UNP 191 R +ATOM 1546 C CD . ARG A 1 191 ? 11.899 16.633 -0.483 1.0 96.50 ? 191 ARG A CD 1 O78126 UNP 191 R +ATOM 1547 N NE . ARG A 1 191 ? 11.361 17.729 -1.309 1.0 96.50 ? 191 ARG A NE 1 O78126 UNP 191 R +ATOM 1548 N NH1 . ARG A 1 191 ? 13.140 19.179 -1.237 1.0 96.50 ? 191 ARG A NH1 1 O78126 UNP 191 R +ATOM 1549 N NH2 . ARG A 1 191 ? 11.364 19.648 -2.503 1.0 96.50 ? 191 ARG A NH2 1 O78126 UNP 191 R +ATOM 1550 C CZ . ARG A 1 191 ? 11.955 18.846 -1.672 1.0 96.50 ? 191 ARG A CZ 1 O78126 UNP 191 R +ATOM 1551 N N . TYR A 1 192 ? 8.936 13.939 2.501 1.0 97.25 ? 192 TYR A N 1 O78126 UNP 192 Y +ATOM 1552 C CA . TYR A 1 192 ? 7.483 13.793 2.400 1.0 97.25 ? 192 TYR A CA 1 O78126 UNP 192 Y +ATOM 1553 C C . TYR A 1 192 ? 6.792 13.837 3.759 1.0 97.25 ? 192 TYR A C 1 O78126 UNP 192 Y +ATOM 1554 C CB . TYR A 1 192 ? 7.141 12.501 1.653 1.0 97.25 ? 192 TYR A CB 1 O78126 UNP 192 Y +ATOM 1555 O O . TYR A 1 192 ? 5.745 14.465 3.874 1.0 97.25 ? 192 TYR A O 1 O78126 UNP 192 Y +ATOM 1556 C CG . TYR A 1 192 ? 7.638 12.420 0.220 1.0 97.25 ? 192 TYR A CG 1 O78126 UNP 192 Y +ATOM 1557 C CD1 . TYR A 1 192 ? 7.879 13.583 -0.547 1.0 97.25 ? 192 TYR A CD1 1 O78126 UNP 192 Y +ATOM 1558 C CD2 . TYR A 1 192 ? 7.847 11.151 -0.353 1.0 97.25 ? 192 TYR A CD2 1 O78126 UNP 192 Y +ATOM 1559 C CE1 . TYR A 1 192 ? 8.359 13.478 -1.861 1.0 97.25 ? 192 TYR A CE1 1 O78126 UNP 192 Y +ATOM 1560 C CE2 . TYR A 1 192 ? 8.312 11.043 -1.674 1.0 97.25 ? 192 TYR A CE2 1 O78126 UNP 192 Y +ATOM 1561 O OH . TYR A 1 192 ? 9.089 12.102 -3.670 1.0 97.25 ? 192 TYR A OH 1 O78126 UNP 192 Y +ATOM 1562 C CZ . TYR A 1 192 ? 8.581 12.204 -2.419 1.0 97.25 ? 192 TYR A CZ 1 O78126 UNP 192 Y +ATOM 1563 N N . LEU A 1 193 ? 7.393 13.248 4.792 1.0 95.06 ? 193 LEU A N 1 O78126 UNP 193 L +ATOM 1564 C CA . LEU A 1 193 ? 6.865 13.302 6.155 1.0 95.06 ? 193 LEU A CA 1 O78126 UNP 193 L +ATOM 1565 C C . LEU A 1 193 ? 6.923 14.707 6.756 1.0 95.06 ? 193 LEU A C 1 O78126 UNP 193 L +ATOM 1566 C CB . LEU A 1 193 ? 7.607 12.273 7.024 1.0 95.06 ? 193 LEU A CB 1 O78126 UNP 193 L +ATOM 1567 O O . LEU A 1 193 ? 6.031 15.051 7.528 1.0 95.06 ? 193 LEU A O 1 O78126 UNP 193 L +ATOM 1568 C CG . LEU A 1 193 ? 7.129 10.845 6.709 1.0 95.06 ? 193 LEU A CG 1 O78126 UNP 193 L +ATOM 1569 C CD1 . LEU A 1 193 ? 8.091 9.788 7.226 1.0 95.06 ? 193 LEU A CD1 1 O78126 UNP 193 L +ATOM 1570 C CD2 . LEU A 1 193 ? 5.770 10.558 7.342 1.0 95.06 ? 193 LEU A CD2 1 O78126 UNP 193 L +ATOM 1571 N N . GLU A 1 194 ? 7.911 15.524 6.385 1.0 94.94 ? 194 GLU A N 1 O78126 UNP 194 E +ATOM 1572 C CA . GLU A 1 194 ? 7.949 16.941 6.762 1.0 94.94 ? 194 GLU A CA 1 O78126 UNP 194 E +ATOM 1573 C C . GLU A 1 194 ? 6.899 17.747 5.984 1.0 94.94 ? 194 GLU A C 1 O78126 UNP 194 E +ATOM 1574 C CB . GLU A 1 194 ? 9.369 17.496 6.554 1.0 94.94 ? 194 GLU A CB 1 O78126 UNP 194 E +ATOM 1575 O O . GLU A 1 194 ? 6.093 18.461 6.577 1.0 94.94 ? 194 GLU A O 1 O78126 UNP 194 E +ATOM 1576 C CG . GLU A 1 194 ? 9.555 18.911 7.134 1.0 94.94 ? 194 GLU A CG 1 O78126 UNP 194 E +ATOM 1577 C CD . GLU A 1 194 ? 9.317 18.997 8.656 1.0 94.94 ? 194 GLU A CD 1 O78126 UNP 194 E +ATOM 1578 O OE1 . GLU A 1 194 ? 8.911 20.078 9.141 1.0 94.94 ? 194 GLU A OE1 1 O78126 UNP 194 E +ATOM 1579 O OE2 . GLU A 1 194 ? 9.554 17.992 9.365 1.0 94.94 ? 194 GLU A OE2 1 O78126 UNP 194 E +ATOM 1580 N N . ASN A 1 195 ? 6.843 17.570 4.661 1.0 96.00 ? 195 ASN A N 1 O78126 UNP 195 N +ATOM 1581 C CA . ASN A 1 195 ? 5.881 18.242 3.784 1.0 96.00 ? 195 ASN A CA 1 O78126 UNP 195 N +ATOM 1582 C C . ASN A 1 195 ? 4.424 17.942 4.171 1.0 96.00 ? 195 ASN A C 1 O78126 UNP 195 N +ATOM 1583 C CB . ASN A 1 195 ? 6.131 17.758 2.344 1.0 96.00 ? 195 ASN A CB 1 O78126 UNP 195 N +ATOM 1584 O O . ASN A 1 195 ? 3.568 18.822 4.161 1.0 96.00 ? 195 ASN A O 1 O78126 UNP 195 N +ATOM 1585 C CG . ASN A 1 195 ? 7.421 18.250 1.708 1.0 96.00 ? 195 ASN A CG 1 O78126 UNP 195 N +ATOM 1586 N ND2 . ASN A 1 195 ? 7.614 17.907 0.451 1.0 96.00 ? 195 ASN A ND2 1 O78126 UNP 195 N +ATOM 1587 O OD1 . ASN A 1 195 ? 8.195 19.023 2.246 1.0 96.00 ? 195 ASN A OD1 1 O78126 UNP 195 N +ATOM 1588 N N . GLY A 1 196 ? 4.139 16.679 4.484 1.0 95.25 ? 196 GLY A N 1 O78126 UNP 196 G +ATOM 1589 C CA . GLY A 1 196 ? 2.814 16.162 4.803 1.0 95.25 ? 196 GLY A CA 1 O78126 UNP 196 G +ATOM 1590 C C . GLY A 1 196 ? 2.561 15.993 6.293 1.0 95.25 ? 196 GLY A C 1 O78126 UNP 196 G +ATOM 1591 O O . GLY A 1 196 ? 1.650 15.249 6.645 1.0 95.25 ? 196 GLY A O 1 O78126 UNP 196 G +ATOM 1592 N N . LYS A 1 197 ? 3.338 16.642 7.169 1.0 92.56 ? 197 LYS A N 1 O78126 UNP 197 K +ATOM 1593 C CA . LYS A 1 197 ? 3.322 16.422 8.625 1.0 92.56 ? 197 LYS A CA 1 O78126 UNP 197 K +ATOM 1594 C C . LYS A 1 197 ? 1.923 16.427 9.239 1.0 92.56 ? 197 LYS A C 1 O78126 UNP 197 K +ATOM 1595 C CB . LYS A 1 197 ? 4.221 17.485 9.260 1.0 92.56 ? 197 LYS A CB 1 O78126 UNP 197 K +ATOM 1596 O O . LYS A 1 197 ? 1.588 15.524 9.998 1.0 92.56 ? 197 LYS A O 1 O78126 UNP 197 K +ATOM 1597 C CG . LYS A 1 197 ? 4.347 17.323 10.777 1.0 92.56 ? 197 LYS A CG 1 O78126 UNP 197 K +ATOM 1598 C CD . LYS A 1 197 ? 5.375 18.333 11.278 1.0 92.56 ? 197 LYS A CD 1 O78126 UNP 197 K +ATOM 1599 C CE . LYS A 1 197 ? 5.630 18.141 12.768 1.0 92.56 ? 197 LYS A CE 1 O78126 UNP 197 K +ATOM 1600 N NZ . LYS A 1 197 ? 6.751 19.018 13.172 1.0 92.56 ? 197 LYS A NZ 1 O78126 UNP 197 K +ATOM 1601 N N . GLU A 1 198 ? 1.087 17.395 8.867 1.0 91.25 ? 198 GLU A N 1 O78126 UNP 198 E +ATOM 1602 C CA . GLU A 1 198 ? -0.285 17.521 9.385 1.0 91.25 ? 198 GLU A CA 1 O78126 UNP 198 E +ATOM 1603 C C . GLU A 1 198 ? -1.207 16.361 8.980 1.0 91.25 ? 198 GLU A C 1 O78126 UNP 198 E +ATOM 1604 C CB . GLU A 1 198 ? -0.910 18.829 8.882 1.0 91.25 ? 198 GLU A CB 1 O78126 UNP 198 E +ATOM 1605 O O . GLU A 1 198 ? -2.200 16.102 9.652 1.0 91.25 ? 198 GLU A O 1 O78126 UNP 198 E +ATOM 1606 C CG . GLU A 1 198 ? -0.178 20.085 9.379 1.0 91.25 ? 198 GLU A CG 1 O78126 UNP 198 E +ATOM 1607 C CD . GLU A 1 198 ? -0.886 21.388 8.968 1.0 91.25 ? 198 GLU A CD 1 O78126 UNP 198 E +ATOM 1608 O OE1 . GLU A 1 198 ? -0.514 22.436 9.542 1.0 91.25 ? 198 GLU A OE1 1 O78126 UNP 198 E +ATOM 1609 O OE2 . GLU A 1 198 ? -1.784 21.333 8.097 1.0 91.25 ? 198 GLU A OE2 1 O78126 UNP 198 E +ATOM 1610 N N . THR A 1 199 ? -0.908 15.668 7.877 1.0 91.25 ? 199 THR A N 1 O78126 UNP 199 T +ATOM 1611 C CA . THR A 1 199 ? -1.727 14.559 7.360 1.0 91.25 ? 199 THR A CA 1 O78126 UNP 199 T +ATOM 1612 C C . THR A 1 199 ? -1.124 13.193 7.675 1.0 91.25 ? 199 THR A C 1 O78126 UNP 199 T +ATOM 1613 C CB . THR A 1 199 ? -1.927 14.693 5.845 1.0 91.25 ? 199 THR A CB 1 O78126 UNP 199 T +ATOM 1614 O O . THR A 1 199 ? -1.854 12.283 8.042 1.0 91.25 ? 199 THR A O 1 O78126 UNP 199 T +ATOM 1615 C CG2 . THR A 1 199 ? -2.911 13.669 5.278 1.0 91.25 ? 199 THR A CG2 1 O78126 UNP 199 T +ATOM 1616 O OG1 . THR A 1 199 ? -2.450 15.964 5.533 1.0 91.25 ? 199 THR A OG1 1 O78126 UNP 199 T +ATOM 1617 N N . LEU A 1 200 ? 0.190 13.035 7.524 1.0 91.75 ? 200 LEU A N 1 O78126 UNP 200 L +ATOM 1618 C CA . LEU A 1 200 ? 0.881 11.747 7.628 1.0 91.75 ? 200 LEU A CA 1 O78126 UNP 200 L +ATOM 1619 C C . LEU A 1 200 ? 1.226 11.378 9.073 1.0 91.75 ? 200 LEU A C 1 O78126 UNP 200 L +ATOM 1620 C CB . LEU A 1 200 ? 2.157 11.791 6.772 1.0 91.75 ? 200 LEU A CB 1 O78126 UNP 200 L +ATOM 1621 O O . LEU A 1 200 ? 1.237 10.201 9.405 1.0 91.75 ? 200 LEU A O 1 O78126 UNP 200 L +ATOM 1622 C CG . LEU A 1 200 ? 1.926 11.978 5.263 1.0 91.75 ? 200 LEU A CG 1 O78126 UNP 200 L +ATOM 1623 C CD1 . LEU A 1 200 ? 3.271 12.200 4.577 1.0 91.75 ? 200 LEU A CD1 1 O78126 UNP 200 L +ATOM 1624 C CD2 . LEU A 1 200 ? 1.238 10.766 4.632 1.0 91.75 ? 200 LEU A CD2 1 O78126 UNP 200 L +ATOM 1625 N N . GLN A 1 201 ? 1.471 12.374 9.931 1.0 90.00 ? 201 GLN A N 1 O78126 UNP 201 Q +ATOM 1626 C CA . GLN A 1 201 ? 1.785 12.175 11.353 1.0 90.00 ? 201 GLN A CA 1 O78126 UNP 201 Q +ATOM 1627 C C . GLN A 1 201 ? 0.582 12.484 12.258 1.0 90.00 ? 201 GLN A C 1 O78126 UNP 201 Q +ATOM 1628 C CB . GLN A 1 201 ? 3.024 12.993 11.757 1.0 90.00 ? 201 GLN A CB 1 O78126 UNP 201 Q +ATOM 1629 O O . GLN A 1 201 ? 0.740 12.700 13.460 1.0 90.00 ? 201 GLN A O 1 O78126 UNP 201 Q +ATOM 1630 C CG . GLN A 1 201 ? 4.268 12.706 10.903 1.0 90.00 ? 201 GLN A CG 1 O78126 UNP 201 Q +ATOM 1631 C CD . GLN A 1 201 ? 5.459 13.571 11.309 1.0 90.00 ? 201 GLN A CD 1 O78126 UNP 201 Q +ATOM 1632 N NE2 . GLN A 1 201 ? 6.264 14.011 10.365 1.0 90.00 ? 201 GLN A NE2 1 O78126 UNP 201 Q +ATOM 1633 O OE1 . GLN A 1 201 ? 5.679 13.925 12.460 1.0 90.00 ? 201 GLN A OE1 1 O78126 UNP 201 Q +ATOM 1634 N N . ARG A 1 202 ? -0.628 12.557 11.686 1.0 91.81 ? 202 ARG A N 1 O78126 UNP 202 R +ATOM 1635 C CA . ARG A 1 202 ? -1.860 12.663 12.473 1.0 91.81 ? 202 ARG A CA 1 O78126 UNP 202 R +ATOM 1636 C C . ARG A 1 202 ? -2.250 11.298 13.007 1.0 91.81 ? 202 ARG A C 1 O78126 UNP 202 R +ATOM 1637 C CB . ARG A 1 202 ? -2.998 13.309 11.669 1.0 91.81 ? 202 ARG A CB 1 O78126 UNP 202 R +ATOM 1638 O O . ARG A 1 202 ? -1.946 10.273 12.403 1.0 91.81 ? 202 ARG A O 1 O78126 UNP 202 R +ATOM 1639 C CG . ARG A 1 202 ? -3.716 12.334 10.724 1.0 91.81 ? 202 ARG A CG 1 O78126 UNP 202 R +ATOM 1640 C CD . ARG A 1 202 ? -4.688 13.089 9.820 1.0 91.81 ? 202 ARG A CD 1 O78126 UNP 202 R +ATOM 1641 N NE . ARG A 1 202 ? -5.222 12.210 8.768 1.0 91.81 ? 202 ARG A NE 1 O78126 UNP 202 R +ATOM 1642 N NH1 . ARG A 1 202 ? -6.588 13.759 7.792 1.0 91.81 ? 202 ARG A NH1 1 O78126 UNP 202 R +ATOM 1643 N NH2 . ARG A 1 202 ? -6.571 11.661 7.015 1.0 91.81 ? 202 ARG A NH2 1 O78126 UNP 202 R +ATOM 1644 C CZ . ARG A 1 202 ? -6.124 12.541 7.868 1.0 91.81 ? 202 ARG A CZ 1 O78126 UNP 202 R +ATOM 1645 N N . THR A 1 203 ? -3.026 11.307 14.077 1.0 92.88 ? 203 THR A N 1 O78126 UNP 203 T +ATOM 1646 C CA . THR A 1 203 ? -3.631 10.091 14.598 1.0 92.88 ? 203 THR A CA 1 O78126 UNP 203 T +ATOM 1647 C C . THR A 1 203 ? -5.079 10.371 14.948 1.0 92.88 ? 203 THR A C 1 O78126 UNP 203 T +ATOM 1648 C CB . THR A 1 203 ? -2.862 9.544 15.805 1.0 92.88 ? 203 THR A CB 1 O78126 UNP 203 T +ATOM 1649 O O . THR A 1 203 ? -5.372 11.170 15.838 1.0 92.88 ? 203 THR A O 1 O78126 UNP 203 T +ATOM 1650 C CG2 . THR A 1 203 ? -3.036 8.040 15.873 1.0 92.88 ? 203 THR A CG2 1 O78126 UNP 203 T +ATOM 1651 O OG1 . THR A 1 203 ? -1.475 9.767 15.723 1.0 92.88 ? 203 THR A OG1 1 O78126 UNP 203 T +ATOM 1652 N N . ASP A 1 204 ? -5.986 9.698 14.247 1.0 95.06 ? 204 ASP A N 1 O78126 UNP 204 D +ATOM 1653 C CA . ASP A 1 204 ? -7.423 9.858 14.426 1.0 95.06 ? 204 ASP A CA 1 O78126 UNP 204 D +ATOM 1654 C C . ASP A 1 204 ? -7.959 8.637 15.177 1.0 95.06 ? 204 ASP A C 1 O78126 UNP 204 D +ATOM 1655 C CB . ASP A 1 204 ? -8.118 10.080 13.072 1.0 95.06 ? 204 ASP A CB 1 O78126 UNP 204 D +ATOM 1656 O O . ASP A 1 204 ? -7.893 7.505 14.694 1.0 95.06 ? 204 ASP A O 1 O78126 UNP 204 D +ATOM 1657 C CG . ASP A 1 204 ? -7.699 11.382 12.371 1.0 95.06 ? 204 ASP A CG 1 O78126 UNP 204 D +ATOM 1658 O OD1 . ASP A 1 204 ? -7.474 12.391 13.077 1.0 95.06 ? 204 ASP A OD1 1 O78126 UNP 204 D +ATOM 1659 O OD2 . ASP A 1 204 ? -7.652 11.382 11.119 1.0 95.06 ? 204 ASP A OD2 1 O78126 UNP 204 D +ATOM 1660 N N . ALA A 1 205 ? -8.462 8.848 16.394 1.0 97.06 ? 205 ALA A N 1 O78126 UNP 205 A +ATOM 1661 C CA . ALA A 1 205 ? -9.002 7.770 17.216 1.0 97.06 ? 205 ALA A CA 1 O78126 UNP 205 A +ATOM 1662 C C . ALA A 1 205 ? -10.279 7.163 16.593 1.0 97.06 ? 205 ALA A C 1 O78126 UNP 205 A +ATOM 1663 C CB . ALA A 1 205 ? -9.278 8.304 18.624 1.0 97.06 ? 205 ALA A CB 1 O78126 UNP 205 A +ATOM 1664 O O . ALA A 1 205 ? -11.147 7.909 16.128 1.0 97.06 ? 205 ALA A O 1 O78126 UNP 205 A +ATOM 1665 N N . PRO A 1 206 ? -10.467 5.829 16.647 1.0 97.94 ? 206 PRO A N 1 O78126 UNP 206 P +ATOM 1666 C CA . PRO A 1 206 ? -11.651 5.185 16.099 1.0 97.94 ? 206 PRO A CA 1 O78126 UNP 206 P +ATOM 1667 C C . PRO A 1 206 ? -12.922 5.601 16.828 1.0 97.94 ? 206 PRO A C 1 O78126 UNP 206 P +ATOM 1668 C CB . PRO A 1 206 ? -11.392 3.676 16.195 1.0 97.94 ? 206 PRO A CB 1 O78126 UNP 206 P +ATOM 1669 O O . PRO A 1 206 ? -13.043 5.490 18.051 1.0 97.94 ? 206 PRO A O 1 O78126 UNP 206 P +ATOM 1670 C CG . PRO A 1 206 ? -10.418 3.563 17.366 1.0 97.94 ? 206 PRO A CG 1 O78126 UNP 206 P +ATOM 1671 C CD . PRO A 1 206 ? -9.581 4.833 17.226 1.0 97.94 ? 206 PRO A CD 1 O78126 UNP 206 P +ATOM 1672 N N . LYS A 1 207 ? -13.928 5.989 16.043 1.0 97.88 ? 207 LYS A N 1 O78126 UNP 207 K +ATOM 1673 C CA . LYS A 1 207 ? -15.309 6.120 16.504 1.0 97.88 ? 207 LYS A CA 1 O78126 UNP 207 K +ATOM 1674 C C . LYS A 1 207 ? -15.898 4.726 16.605 1.0 97.88 ? 207 LYS A C 1 O78126 UNP 207 K +ATOM 1675 C CB . LYS A 1 207 ? -16.116 6.998 15.544 1.0 97.88 ? 207 LYS A CB 1 O78126 UNP 207 K +ATOM 1676 O O . LYS A 1 207 ? -16.122 4.062 15.590 1.0 97.88 ? 207 LYS A O 1 O78126 UNP 207 K +ATOM 1677 C CG . LYS A 1 207 ? -15.589 8.436 15.538 1.0 97.88 ? 207 LYS A CG 1 O78126 UNP 207 K +ATOM 1678 C CD . LYS A 1 207 ? -16.357 9.271 14.513 1.0 97.88 ? 207 LYS A CD 1 O78126 UNP 207 K +ATOM 1679 C CE . LYS A 1 207 ? -15.707 10.652 14.418 1.0 97.88 ? 207 LYS A CE 1 O78126 UNP 207 K +ATOM 1680 N NZ . LYS A 1 207 ? -16.218 11.407 13.249 1.0 97.88 ? 207 LYS A NZ 1 O78126 UNP 207 K +ATOM 1681 N N . THR A 1 208 ? -16.119 4.279 17.833 1.0 97.31 ? 208 THR A N 1 O78126 UNP 208 T +ATOM 1682 C CA . THR A 1 208 ? -16.573 2.919 18.101 1.0 97.31 ? 208 THR A CA 1 O78126 UNP 208 T +ATOM 1683 C C . THR A 1 208 ? -18.034 2.871 18.510 1.0 97.31 ? 208 THR A C 1 O78126 UNP 208 T +ATOM 1684 C CB . THR A 1 208 ? -15.686 2.192 19.109 1.0 97.31 ? 208 THR A CB 1 O78126 UNP 208 T +ATOM 1685 O O . THR A 1 208 ? -18.545 3.777 19.165 1.0 97.31 ? 208 THR A O 1 O78126 UNP 208 T +ATOM 1686 C CG2 . THR A 1 208 ? -14.247 2.010 18.629 1.0 97.31 ? 208 THR A CG2 1 O78126 UNP 208 T +ATOM 1687 O OG1 . THR A 1 208 ? -15.616 2.895 20.325 1.0 97.31 ? 208 THR A OG1 1 O78126 UNP 208 T +ATOM 1688 N N . HIS A 1 209 ? -18.726 1.818 18.088 1.0 94.94 ? 209 HIS A N 1 O78126 UNP 209 H +ATOM 1689 C CA . HIS A 1 209 ? -20.081 1.517 18.541 1.0 94.94 ? 209 HIS A CA 1 O78126 UNP 209 H +ATOM 1690 C C . HIS A 1 209 ? -20.371 0.023 18.387 1.0 94.94 ? 209 HIS A C 1 O78126 UNP 209 H +ATOM 1691 C CB . HIS A 1 209 ? -21.118 2.374 17.792 1.0 94.94 ? 209 HIS A CB 1 O78126 UNP 209 H +ATOM 1692 O O . HIS A 1 209 ? -19.655 -0.699 17.687 1.0 94.94 ? 209 HIS A O 1 O78126 UNP 209 H +ATOM 1693 C CG . HIS A 1 209 ? -21.275 2.041 16.332 1.0 94.94 ? 209 HIS A CG 1 O78126 UNP 209 H +ATOM 1694 C CD2 . HIS A 1 209 ? -22.292 1.317 15.769 1.0 94.94 ? 209 HIS A CD2 1 O78126 UNP 209 H +ATOM 1695 N ND1 . HIS A 1 209 ? -20.434 2.424 15.313 1.0 94.94 ? 209 HIS A ND1 1 O78126 UNP 209 H +ATOM 1696 C CE1 . HIS A 1 209 ? -20.931 1.933 14.165 1.0 94.94 ? 209 HIS A CE1 1 O78126 UNP 209 H +ATOM 1697 N NE2 . HIS A 1 209 ? -22.063 1.254 14.393 1.0 94.94 ? 209 HIS A NE2 1 O78126 UNP 209 H +ATOM 1698 N N . MET A 1 210 ? -21.438 -0.441 19.036 1.0 95.56 ? 210 MET A N 1 O78126 UNP 210 M +ATOM 1699 C CA . MET A 1 210 ? -21.914 -1.813 18.917 1.0 95.56 ? 210 MET A CA 1 O78126 UNP 210 M +ATOM 1700 C C . MET A 1 210 ? -23.280 -1.871 18.248 1.0 95.56 ? 210 MET A C 1 O78126 UNP 210 M +ATOM 1701 C CB . MET A 1 210 ? -21.939 -2.508 20.280 1.0 95.56 ? 210 MET A CB 1 O78126 UNP 210 M +ATOM 1702 O O . MET A 1 210 ? -24.149 -1.035 18.483 1.0 95.56 ? 210 MET A O 1 O78126 UNP 210 M +ATOM 1703 C CG . MET A 1 210 ? -20.536 -2.927 20.717 1.0 95.56 ? 210 MET A CG 1 O78126 UNP 210 M +ATOM 1704 S SD . MET A 1 210 ? -20.616 -4.030 22.141 1.0 95.56 ? 210 MET A SD 1 O78126 UNP 210 M +ATOM 1705 C CE . MET A 1 210 ? -18.957 -4.727 22.135 1.0 95.56 ? 210 MET A CE 1 O78126 UNP 210 M +ATOM 1706 N N . THR A 1 211 ? -23.466 -2.905 17.438 1.0 94.75 ? 211 THR A N 1 O78126 UNP 211 T +ATOM 1707 C CA . THR A 1 211 ? -24.754 -3.270 16.846 1.0 94.75 ? 211 THR A CA 1 O78126 UNP 211 T +ATOM 1708 C C . THR A 1 211 ? -25.137 -4.669 17.304 1.0 94.75 ? 211 THR A C 1 O78126 UNP 211 T +ATOM 1709 C CB . THR A 1 211 ? -24.746 -3.153 15.313 1.0 94.75 ? 211 THR A CB 1 O78126 UNP 211 T +ATOM 1710 O O . THR A 1 211 ? -24.270 -5.532 17.440 1.0 94.75 ? 211 THR A O 1 O78126 UNP 211 T +ATOM 1711 C CG2 . THR A 1 211 ? -24.621 -1.700 14.862 1.0 94.75 ? 211 THR A CG2 1 O78126 UNP 211 T +ATOM 1712 O OG1 . THR A 1 211 ? -23.650 -3.831 14.743 1.0 94.75 ? 211 THR A OG1 1 O78126 UNP 211 T +ATOM 1713 N N . HIS A 1 212 ? -26.427 -4.873 17.551 1.0 94.31 ? 212 HIS A N 1 O78126 UNP 212 H +ATOM 1714 C CA . HIS A 1 212 ? -27.006 -6.146 17.960 1.0 94.31 ? 212 HIS A CA 1 O78126 UNP 212 H +ATOM 1715 C C . HIS A 1 212 ? -28.049 -6.565 16.931 1.0 94.31 ? 212 HIS A C 1 O78126 UNP 212 H +ATOM 1716 C CB . HIS A 1 212 ? -27.601 -6.008 19.366 1.0 94.31 ? 212 HIS A CB 1 O78126 UNP 212 H +ATOM 1717 O O . HIS A 1 212 ? -28.961 -5.795 16.614 1.0 94.31 ? 212 HIS A O 1 O78126 UNP 212 H +ATOM 1718 C CG . HIS A 1 212 ? -28.524 -7.132 19.759 1.0 94.31 ? 212 HIS A CG 1 O78126 UNP 212 H +ATOM 1719 C CD2 . HIS A 1 212 ? -28.233 -8.188 20.580 1.0 94.31 ? 212 HIS A CD2 1 O78126 UNP 212 H +ATOM 1720 N ND1 . HIS A 1 212 ? -29.835 -7.277 19.359 1.0 94.31 ? 212 HIS A ND1 1 O78126 UNP 212 H +ATOM 1721 C CE1 . HIS A 1 212 ? -30.318 -8.400 19.917 1.0 94.31 ? 212 HIS A CE1 1 O78126 UNP 212 H +ATOM 1722 N NE2 . HIS A 1 212 ? -29.376 -8.982 20.663 1.0 94.31 ? 212 HIS A NE2 1 O78126 UNP 212 H +ATOM 1723 N N . HIS A 1 213 ? -27.925 -7.788 16.432 1.0 93.00 ? 213 HIS A N 1 O78126 UNP 213 H +ATOM 1724 C CA . HIS A 1 213 ? -28.848 -8.365 15.466 1.0 93.00 ? 213 HIS A CA 1 O78126 UNP 213 H +ATOM 1725 C C . HIS A 1 213 ? -29.340 -9.711 15.990 1.0 93.00 ? 213 HIS A C 1 O78126 UNP 213 H +ATOM 1726 C CB . HIS A 1 213 ? -28.137 -8.499 14.114 1.0 93.00 ? 213 HIS A CB 1 O78126 UNP 213 H +ATOM 1727 O O . HIS A 1 213 ? -28.554 -10.645 16.090 1.0 93.00 ? 213 HIS A O 1 O78126 UNP 213 H +ATOM 1728 C CG . HIS A 1 213 ? -27.650 -7.184 13.560 1.0 93.00 ? 213 HIS A CG 1 O78126 UNP 213 H +ATOM 1729 C CD2 . HIS A 1 213 ? -26.359 -6.730 13.546 1.0 93.00 ? 213 HIS A CD2 1 O78126 UNP 213 H +ATOM 1730 N ND1 . HIS A 1 213 ? -28.430 -6.208 12.986 1.0 93.00 ? 213 HIS A ND1 1 O78126 UNP 213 H +ATOM 1731 C CE1 . HIS A 1 213 ? -27.628 -5.196 12.619 1.0 93.00 ? 213 HIS A CE1 1 O78126 UNP 213 H +ATOM 1732 N NE2 . HIS A 1 213 ? -26.348 -5.477 12.916 1.0 93.00 ? 213 HIS A NE2 1 O78126 UNP 213 H +ATOM 1733 N N . ALA A 1 214 ? -30.628 -9.818 16.320 1.0 91.56 ? 214 ALA A N 1 O78126 UNP 214 A +ATOM 1734 C CA . ALA A 1 214 ? -31.217 -11.105 16.678 1.0 91.56 ? 214 ALA A CA 1 O78126 UNP 214 A +ATOM 1735 C C . ALA A 1 214 ? -31.202 -12.033 15.452 1.0 91.56 ? 214 ALA A C 1 O78126 UNP 214 A +ATOM 1736 C CB . ALA A 1 214 ? -32.632 -10.882 17.223 1.0 91.56 ? 214 ALA A CB 1 O78126 UNP 214 A +ATOM 1737 O O . ALA A 1 214 ? -31.650 -11.632 14.375 1.0 91.56 ? 214 ALA A O 1 O78126 UNP 214 A +ATOM 1738 N N . VAL A 1 215 ? -30.670 -13.245 15.617 1.0 89.50 ? 215 VAL A N 1 O78126 UNP 215 V +ATOM 1739 C CA . VAL A 1 215 ? -30.636 -14.283 14.572 1.0 89.50 ? 215 VAL A CA 1 O78126 UNP 215 V +ATOM 1740 C C . VAL A 1 215 ? -31.773 -15.278 14.800 1.0 89.50 ? 215 VAL A C 1 O78126 UNP 215 V +ATOM 1741 C CB . VAL A 1 215 ? -29.270 -15.000 14.552 1.0 89.50 ? 215 VAL A CB 1 O78126 UNP 215 V +ATOM 1742 O O . VAL A 1 215 ? -32.454 -15.672 13.856 1.0 89.50 ? 215 VAL A O 1 O78126 UNP 215 V +ATOM 1743 C CG1 . VAL A 1 215 ? -29.206 -16.074 13.460 1.0 89.50 ? 215 VAL A CG1 1 O78126 UNP 215 V +ATOM 1744 C CG2 . VAL A 1 215 ? -28.123 -14.012 14.298 1.0 89.50 ? 215 VAL A CG2 1 O78126 UNP 215 V +ATOM 1745 N N . SER A 1 216 ? -32.002 -15.647 16.062 1.0 90.69 ? 216 SER A N 1 O78126 UNP 216 S +ATOM 1746 C CA . SER A 1 216 ? -33.103 -16.499 16.517 1.0 90.69 ? 216 SER A CA 1 O78126 UNP 216 S +ATOM 1747 C C . SER A 1 216 ? -33.521 -16.120 17.944 1.0 90.69 ? 216 SER A C 1 O78126 UNP 216 S +ATOM 1748 C CB . SER A 1 216 ? -32.669 -17.971 16.452 1.0 90.69 ? 216 SER A CB 1 O78126 UNP 216 S +ATOM 1749 O O . SER A 1 216 ? -32.932 -15.225 18.548 1.0 90.69 ? 216 SER A O 1 O78126 UNP 216 S +ATOM 1750 O OG . SER A 1 216 ? -31.716 -18.277 17.454 1.0 90.69 ? 216 SER A OG 1 O78126 UNP 216 S +ATOM 1751 N N . ASP A 1 217 ? -34.493 -16.835 18.514 1.0 87.88 ? 217 ASP A N 1 O78126 UNP 217 D +ATOM 1752 C CA . ASP A 1 217 ? -34.883 -16.688 19.927 1.0 87.88 ? 217 ASP A CA 1 O78126 UNP 217 D +ATOM 1753 C C . ASP A 1 217 ? -33.782 -17.129 20.914 1.0 87.88 ? 217 ASP A C 1 O78126 UNP 217 D +ATOM 1754 C CB . ASP A 1 217 ? -36.159 -17.508 20.191 1.0 87.88 ? 217 ASP A CB 1 O78126 UNP 217 D +ATOM 1755 O O . ASP A 1 217 ? -33.910 -16.935 22.124 1.0 87.88 ? 217 ASP A O 1 O78126 UNP 217 D +ATOM 1756 C CG . ASP A 1 217 ? -37.398 -17.016 19.434 1.0 87.88 ? 217 ASP A CG 1 O78126 UNP 217 D +ATOM 1757 O OD1 . ASP A 1 217 ? -37.432 -15.828 19.040 1.0 87.88 ? 217 ASP A OD1 1 O78126 UNP 217 D +ATOM 1758 O OD2 . ASP A 1 217 ? -38.318 -17.844 19.259 1.0 87.88 ? 217 ASP A OD2 1 O78126 UNP 217 D +ATOM 1759 N N . HIS A 1 218 ? -32.717 -17.767 20.420 1.0 91.88 ? 218 HIS A N 1 O78126 UNP 218 H +ATOM 1760 C CA . HIS A 1 218 ? -31.637 -18.323 21.234 1.0 91.88 ? 218 HIS A CA 1 O78126 UNP 218 H +ATOM 1761 C C . HIS A 1 218 ? -30.286 -17.656 20.986 1.0 91.88 ? 218 HIS A C 1 O78126 UNP 218 H +ATOM 1762 C CB . HIS A 1 218 ? -31.554 -19.831 20.965 1.0 91.88 ? 218 HIS A CB 1 O78126 UNP 218 H +ATOM 1763 O O . HIS A 1 218 ? -29.370 -17.845 21.787 1.0 91.88 ? 218 HIS A O 1 O78126 UNP 218 H +ATOM 1764 C CG . HIS A 1 218 ? -32.854 -20.551 21.217 1.0 91.88 ? 218 HIS A CG 1 O78126 UNP 218 H +ATOM 1765 C CD2 . HIS A 1 218 ? -33.454 -21.469 20.400 1.0 91.88 ? 218 HIS A CD2 1 O78126 UNP 218 H +ATOM 1766 N ND1 . HIS A 1 218 ? -33.701 -20.337 22.279 1.0 91.88 ? 218 HIS A ND1 1 O78126 UNP 218 H +ATOM 1767 C CE1 . HIS A 1 218 ? -34.781 -21.116 22.109 1.0 91.88 ? 218 HIS A CE1 1 O78126 UNP 218 H +ATOM 1768 N NE2 . HIS A 1 218 ? -34.671 -21.838 20.984 1.0 91.88 ? 218 HIS A NE2 1 O78126 UNP 218 H +ATOM 1769 N N . GLU A 1 219 ? -30.145 -16.899 19.897 1.0 94.44 ? 219 GLU A N 1 O78126 UNP 219 E +ATOM 1770 C CA . GLU A 1 219 ? -28.866 -16.358 19.451 1.0 94.44 ? 219 GLU A CA 1 O78126 UNP 219 E +ATOM 1771 C C . GLU A 1 219 ? -29.007 -14.969 18.831 1.0 94.44 ? 219 GLU A C 1 O78126 UNP 219 E +ATOM 1772 C CB . GLU A 1 219 ? -28.205 -17.294 18.428 1.0 94.44 ? 219 GLU A CB 1 O78126 UNP 219 E +ATOM 1773 O O . GLU A 1 219 ? -29.942 -14.668 18.080 1.0 94.44 ? 219 GLU A O 1 O78126 UNP 219 E +ATOM 1774 C CG . GLU A 1 219 ? -27.793 -18.650 19.023 1.0 94.44 ? 219 GLU A CG 1 O78126 UNP 219 E +ATOM 1775 C CD . GLU A 1 219 ? -27.119 -19.573 18.000 1.0 94.44 ? 219 GLU A CD 1 O78126 UNP 219 E +ATOM 1776 O OE1 . GLU A 1 219 ? -26.606 -20.626 18.441 1.0 94.44 ? 219 GLU A OE1 1 O78126 UNP 219 E +ATOM 1777 O OE2 . GLU A 1 219 ? -27.151 -19.247 16.790 1.0 94.44 ? 219 GLU A OE2 1 O78126 UNP 219 E +ATOM 1778 N N . ALA A 1 220 ? -28.001 -14.140 19.082 1.0 94.62 ? 220 ALA A N 1 O78126 UNP 220 A +ATOM 1779 C CA . ALA A 1 220 ? -27.830 -12.841 18.461 1.0 94.62 ? 220 ALA A CA 1 O78126 UNP 220 A +ATOM 1780 C C . ALA A 1 220 ? -26.394 -12.669 17.961 1.0 94.62 ? 220 ALA A C 1 O78126 UNP 220 A +ATOM 1781 C CB . ALA A 1 220 ? -28.222 -11.759 19.468 1.0 94.62 ? 220 ALA A CB 1 O78126 UNP 220 A +ATOM 1782 O O . ALA A 1 220 ? -25.452 -13.256 18.480 1.0 94.62 ? 220 ALA A O 1 O78126 UNP 220 A +ATOM 1783 N N . THR A 1 221 ? -26.205 -11.823 16.959 1.0 96.38 ? 221 THR A N 1 O78126 UNP 221 T +ATOM 1784 C CA . THR A 1 221 ? -24.889 -11.362 16.530 1.0 96.38 ? 221 THR A CA 1 O78126 UNP 221 T +ATOM 1785 C C . THR A 1 221 ? -24.601 -10.015 17.172 1.0 96.38 ? 221 THR A C 1 O78126 UNP 221 T +ATOM 1786 C CB . THR A 1 221 ? -24.801 -11.259 15.006 1.0 96.38 ? 221 THR A CB 1 O78126 UNP 221 T +ATOM 1787 O O . THR A 1 221 ? -25.320 -9.037 16.935 1.0 96.38 ? 221 THR A O 1 O78126 UNP 221 T +ATOM 1788 C CG2 . THR A 1 221 ? -23.391 -10.911 14.533 1.0 96.38 ? 221 THR A CG2 1 O78126 UNP 221 T +ATOM 1789 O OG1 . THR A 1 221 ? -25.150 -12.477 14.399 1.0 96.38 ? 221 THR A OG1 1 O78126 UNP 221 T +ATOM 1790 N N . LEU A 1 222 ? -23.512 -9.944 17.934 1.0 96.94 ? 222 LEU A N 1 O78126 UNP 222 L +ATOM 1791 C CA . LEU A 1 222 ? -22.926 -8.680 18.359 1.0 96.94 ? 222 LEU A CA 1 O78126 UNP 222 L +ATOM 1792 C C . LEU A 1 222 ? -21.832 -8.293 17.376 1.0 96.94 ? 222 LEU A C 1 O78126 UNP 222 L +ATOM 1793 C CB . LEU A 1 222 ? -22.360 -8.786 19.779 1.0 96.94 ? 222 LEU A CB 1 O78126 UNP 222 L +ATOM 1794 O O . LEU A 1 222 ? -20.931 -9.081 17.107 1.0 96.94 ? 222 LEU A O 1 O78126 UNP 222 L +ATOM 1795 C CG . LEU A 1 222 ? -23.400 -9.046 20.876 1.0 96.94 ? 222 LEU A CG 1 O78126 UNP 222 L +ATOM 1796 C CD1 . LEU A 1 222 ? -22.683 -9.076 22.225 1.0 96.94 ? 222 LEU A CD1 1 O78126 UNP 222 L +ATOM 1797 C CD2 . LEU A 1 222 ? -24.478 -7.960 20.923 1.0 96.94 ? 222 LEU A CD2 1 O78126 UNP 222 L +ATOM 1798 N N . ARG A 1 223 ? -21.889 -7.067 16.857 1.0 97.50 ? 223 ARG A N 1 O78126 UNP 223 R +ATOM 1799 C CA . ARG A 1 223 ? -20.857 -6.523 15.971 1.0 97.50 ? 223 ARG A CA 1 O78126 UNP 223 R +ATOM 1800 C C . ARG A 1 223 ? -20.299 -5.230 16.539 1.0 97.50 ? 223 ARG A C 1 O78126 UNP 223 R +ATOM 1801 C CB . ARG A 1 223 ? -21.400 -6.412 14.543 1.0 97.50 ? 223 ARG A CB 1 O78126 UNP 223 R +ATOM 1802 O O . ARG A 1 223 ? -21.040 -4.278 16.781 1.0 97.50 ? 223 ARG A O 1 O78126 UNP 223 R +ATOM 1803 C CG . ARG A 1 223 ? -20.367 -5.852 13.551 1.0 97.50 ? 223 ARG A CG 1 O78126 UNP 223 R +ATOM 1804 C CD . ARG A 1 223 ? -20.969 -5.620 12.162 1.0 97.50 ? 223 ARG A CD 1 O78126 UNP 223 R +ATOM 1805 N NE . ARG A 1 223 ? -21.532 -6.843 11.556 1.0 97.50 ? 223 ARG A NE 1 O78126 UNP 223 R +ATOM 1806 N NH1 . ARG A 1 223 ? -23.743 -6.197 11.510 1.0 97.50 ? 223 ARG A NH1 1 O78126 UNP 223 R +ATOM 1807 N NH2 . ARG A 1 223 ? -23.147 -8.210 10.734 1.0 97.50 ? 223 ARG A NH2 1 O78126 UNP 223 R +ATOM 1808 C CZ . ARG A 1 223 ? -22.802 -7.073 11.267 1.0 97.50 ? 223 ARG A CZ 1 O78126 UNP 223 R +ATOM 1809 N N . CYS A 1 224 ? -18.987 -5.226 16.721 1.0 97.81 ? 224 CYS A N 1 O78126 UNP 224 C +ATOM 1810 C CA . CYS A 1 224 ? -18.183 -4.110 17.184 1.0 97.81 ? 224 CYS A CA 1 O78126 UNP 224 C +ATOM 1811 C C . CYS A 1 224 ? -17.599 -3.378 15.980 1.0 97.81 ? 224 CYS A C 1 O78126 UNP 224 C +ATOM 1812 C CB . CYS A 1 224 ? -17.081 -4.682 18.070 1.0 97.81 ? 224 CYS A CB 1 O78126 UNP 224 C +ATOM 1813 O O . CYS A 1 224 ? -16.913 -3.985 15.157 1.0 97.81 ? 224 CYS A O 1 O78126 UNP 224 C +ATOM 1814 S SG . CYS A 1 224 ? -15.999 -3.467 18.842 1.0 97.81 ? 224 CYS A SG 1 O78126 UNP 224 C +ATOM 1815 N N . TRP A 1 225 ? -17.882 -2.087 15.875 1.0 98.19 ? 225 TRP A N 1 O78126 UNP 225 W +ATOM 1816 C CA . TRP A 1 225 ? -17.427 -1.240 14.782 1.0 98.19 ? 225 TRP A CA 1 O78126 UNP 225 W +ATOM 1817 C C . TRP A 1 225 ? -16.327 -0.299 15.252 1.0 98.19 ? 225 TRP A C 1 O78126 UNP 225 W +ATOM 1818 C CB . TRP A 1 225 ? -18.612 -0.439 14.253 1.0 98.19 ? 225 TRP A CB 1 O78126 UNP 225 W +ATOM 1819 O O . TRP A 1 225 ? -16.431 0.280 16.331 1.0 98.19 ? 225 TRP A O 1 O78126 UNP 225 W +ATOM 1820 C CG . TRP A 1 225 ? -19.659 -1.244 13.556 1.0 98.19 ? 225 TRP A CG 1 O78126 UNP 225 W +ATOM 1821 C CD1 . TRP A 1 225 ? -20.724 -1.834 14.138 1.0 98.19 ? 225 TRP A CD1 1 O78126 UNP 225 W +ATOM 1822 C CD2 . TRP A 1 225 ? -19.774 -1.519 12.132 1.0 98.19 ? 225 TRP A CD2 1 O78126 UNP 225 W +ATOM 1823 C CE2 . TRP A 1 225 ? -20.960 -2.280 11.912 1.0 98.19 ? 225 TRP A CE2 1 O78126 UNP 225 W +ATOM 1824 C CE3 . TRP A 1 225 ? -18.997 -1.180 11.005 1.0 98.19 ? 225 TRP A CE3 1 O78126 UNP 225 W +ATOM 1825 N NE1 . TRP A 1 225 ? -21.506 -2.437 13.173 1.0 98.19 ? 225 TRP A NE1 1 O78126 UNP 225 W +ATOM 1826 C CH2 . TRP A 1 225 ? -20.554 -2.339 9.524 1.0 98.19 ? 225 TRP A CH2 1 O78126 UNP 225 W +ATOM 1827 C CZ2 . TRP A 1 225 ? -21.350 -2.691 10.627 1.0 98.19 ? 225 TRP A CZ2 1 O78126 UNP 225 W +ATOM 1828 C CZ3 . TRP A 1 225 ? -19.388 -1.575 9.715 1.0 98.19 ? 225 TRP A CZ3 1 O78126 UNP 225 W +ATOM 1829 N N . ALA A 1 226 ? -15.332 -0.089 14.397 1.0 98.38 ? 226 ALA A N 1 O78126 UNP 226 A +ATOM 1830 C CA . ALA A 1 226 ? -14.371 1.001 14.472 1.0 98.38 ? 226 ALA A CA 1 O78126 UNP 226 A +ATOM 1831 C C . ALA A 1 226 ? -14.421 1.765 13.144 1.0 98.38 ? 226 ALA A C 1 O78126 UNP 226 A +ATOM 1832 C CB . ALA A 1 226 ? -12.985 0.418 14.766 1.0 98.38 ? 226 ALA A CB 1 O78126 UNP 226 A +ATOM 1833 O O . ALA A 1 226 ? -14.237 1.173 12.078 1.0 98.38 ? 226 ALA A O 1 O78126 UNP 226 A +ATOM 1834 N N . LEU A 1 227 ? -14.718 3.062 13.199 1.0 98.19 ? 227 LEU A N 1 O78126 UNP 227 L +ATOM 1835 C CA . LEU A 1 227 ? -14.900 3.920 12.027 1.0 98.19 ? 227 LEU A CA 1 O78126 UNP 227 L +ATOM 1836 C C . LEU A 1 227 ? -14.037 5.180 12.127 1.0 98.19 ? 227 LEU A C 1 O78126 UNP 227 L +ATOM 1837 C CB . LEU A 1 227 ? -16.381 4.331 11.912 1.0 98.19 ? 227 LEU A CB 1 O78126 UNP 227 L +ATOM 1838 O O . LEU A 1 227 ? -13.759 5.649 13.230 1.0 98.19 ? 227 LEU A O 1 O78126 UNP 227 L +ATOM 1839 C CG . LEU A 1 227 ? -17.407 3.192 11.773 1.0 98.19 ? 227 LEU A CG 1 O78126 UNP 227 L +ATOM 1840 C CD1 . LEU A 1 227 ? -18.808 3.798 11.693 1.0 98.19 ? 227 LEU A CD1 1 O78126 UNP 227 L +ATOM 1841 C CD2 . LEU A 1 227 ? -17.188 2.353 10.516 1.0 98.19 ? 227 LEU A CD2 1 O78126 UNP 227 L +ATOM 1842 N N . SER A 1 228 ? -13.711 5.765 10.974 1.0 97.38 ? 228 SER A N 1 O78126 UNP 228 S +ATOM 1843 C CA . SER A 1 228 ? -13.050 7.070 10.855 1.0 97.38 ? 228 SER A CA 1 O78126 UNP 228 S +ATOM 1844 C C . SER A 1 228 ? -11.746 7.176 11.652 1.0 97.38 ? 228 SER A C 1 O78126 UNP 228 S +ATOM 1845 C CB . SER A 1 228 ? -14.006 8.221 11.199 1.0 97.38 ? 228 SER A CB 1 O78126 UNP 228 S +ATOM 1846 O O . SER A 1 228 ? -11.542 8.167 12.349 1.0 97.38 ? 228 SER A O 1 O78126 UNP 228 S +ATOM 1847 O OG . SER A 1 228 ? -15.190 8.194 10.420 1.0 97.38 ? 228 SER A OG 1 O78126 UNP 228 S +ATOM 1848 N N . PHE A 1 229 ? -10.900 6.146 11.582 1.0 97.12 ? 229 PHE A N 1 O78126 UNP 229 F +ATOM 1849 C CA . PHE A 1 229 ? -9.584 6.137 12.227 1.0 97.12 ? 229 PHE A CA 1 O78126 UNP 229 F +ATOM 1850 C C . PHE A 1 229 ? -8.441 6.218 11.215 1.0 97.12 ? 229 PHE A C 1 O78126 UNP 229 F +ATOM 1851 C CB . PHE A 1 229 ? -9.444 4.921 13.144 1.0 97.12 ? 229 PHE A CB 1 O78126 UNP 229 F +ATOM 1852 O O . PHE A 1 229 ? -8.619 5.888 10.040 1.0 97.12 ? 229 PHE A O 1 O78126 UNP 229 F +ATOM 1853 C CG . PHE A 1 229 ? -9.555 3.570 12.477 1.0 97.12 ? 229 PHE A CG 1 O78126 UNP 229 F +ATOM 1854 C CD1 . PHE A 1 229 ? -10.799 2.926 12.345 1.0 97.12 ? 229 PHE A CD1 1 O78126 UNP 229 F +ATOM 1855 C CD2 . PHE A 1 229 ? -8.392 2.935 12.020 1.0 97.12 ? 229 PHE A CD2 1 O78126 UNP 229 F +ATOM 1856 C CE1 . PHE A 1 229 ? -10.869 1.662 11.735 1.0 97.12 ? 229 PHE A CE1 1 O78126 UNP 229 F +ATOM 1857 C CE2 . PHE A 1 229 ? -8.466 1.688 11.383 1.0 97.12 ? 229 PHE A CE2 1 O78126 UNP 229 F +ATOM 1858 C CZ . PHE A 1 229 ? -9.710 1.061 11.218 1.0 97.12 ? 229 PHE A CZ 1 O78126 UNP 229 F +ATOM 1859 N N . TYR A 1 230 ? -7.281 6.666 11.684 1.0 95.06 ? 230 TYR A N 1 O78126 UNP 230 Y +ATOM 1860 C CA . TYR A 1 230 ? -6.019 6.706 10.945 1.0 95.06 ? 230 TYR A CA 1 O78126 UNP 230 Y +ATOM 1861 C C . TYR A 1 230 ? -4.855 6.591 11.944 1.0 95.06 ? 230 TYR A C 1 O78126 UNP 230 Y +ATOM 1862 C CB . TYR A 1 230 ? -5.925 8.024 10.158 1.0 95.06 ? 230 TYR A CB 1 O78126 UNP 230 Y +ATOM 1863 O O . TYR A 1 230 ? -4.902 7.311 12.953 1.0 95.06 ? 230 TYR A O 1 O78126 UNP 230 Y +ATOM 1864 C CG . TYR A 1 230 ? -4.648 8.149 9.348 1.0 95.06 ? 230 TYR A CG 1 O78126 UNP 230 Y +ATOM 1865 C CD1 . TYR A 1 230 ? -3.473 8.636 9.951 1.0 95.06 ? 230 TYR A CD1 1 O78126 UNP 230 Y +ATOM 1866 C CD2 . TYR A 1 230 ? -4.619 7.722 8.008 1.0 95.06 ? 230 TYR A CD2 1 O78126 UNP 230 Y +ATOM 1867 C CE1 . TYR A 1 230 ? -2.264 8.675 9.229 1.0 95.06 ? 230 TYR A CE1 1 O78126 UNP 230 Y +ATOM 1868 C CE2 . TYR A 1 230 ? -3.414 7.767 7.279 1.0 95.06 ? 230 TYR A CE2 1 O78126 UNP 230 Y +ATOM 1869 O OH . TYR A 1 230 ? -1.066 8.257 7.184 1.0 95.06 ? 230 TYR A OH 1 O78126 UNP 230 Y +ATOM 1870 C CZ . TYR A 1 230 ? -2.230 8.235 7.888 1.0 95.06 ? 230 TYR A CZ 1 O78126 UNP 230 Y +ATOM 1871 N N . PRO A 1 231 ? -3.807 5.780 11.689 1.0 93.88 ? 231 PRO A N 1 O78126 UNP 231 P +ATOM 1872 C CA . PRO A 1 231 ? -3.517 4.985 10.476 1.0 93.88 ? 231 PRO A CA 1 O78126 UNP 231 P +ATOM 1873 C C . PRO A 1 231 ? -4.397 3.727 10.313 1.0 93.88 ? 231 PRO A C 1 O78126 UNP 231 P +ATOM 1874 C CB . PRO A 1 231 ? -2.026 4.643 10.601 1.0 93.88 ? 231 PRO A CB 1 O78126 UNP 231 P +ATOM 1875 O O . PRO A 1 231 ? -5.340 3.526 11.071 1.0 93.88 ? 231 PRO A O 1 O78126 UNP 231 P +ATOM 1876 C CG . PRO A 1 231 ? -1.814 4.541 12.109 1.0 93.88 ? 231 PRO A CG 1 O78126 UNP 231 P +ATOM 1877 C CD . PRO A 1 231 ? -2.713 5.649 12.643 1.0 93.88 ? 231 PRO A CD 1 O78126 UNP 231 P +ATOM 1878 N N . ALA A 1 232 ? -4.158 2.898 9.288 1.0 95.50 ? 232 ALA A N 1 O78126 UNP 232 A +ATOM 1879 C CA . ALA A 1 232 ? -4.979 1.709 9.014 1.0 95.50 ? 232 ALA A CA 1 O78126 UNP 232 A +ATOM 1880 C C . ALA A 1 232 ? -4.767 0.568 10.024 1.0 95.50 ? 232 ALA A C 1 O78126 UNP 232 A +ATOM 1881 C CB . ALA A 1 232 ? -4.662 1.203 7.604 1.0 95.50 ? 232 ALA A CB 1 O78126 UNP 232 A +ATOM 1882 O O . ALA A 1 232 ? -5.648 -0.281 10.207 1.0 95.50 ? 232 ALA A O 1 O78126 UNP 232 A +ATOM 1883 N N . GLU A 1 233 ? -3.598 0.529 10.658 1.0 94.62 ? 233 GLU A N 1 O78126 UNP 233 E +ATOM 1884 C CA . GLU A 1 233 ? -3.245 -0.499 11.631 1.0 94.62 ? 233 GLU A CA 1 O78126 UNP 233 E +ATOM 1885 C C . GLU A 1 233 ? -4.147 -0.366 12.870 1.0 94.62 ? 233 GLU A C 1 O78126 UNP 233 E +ATOM 1886 C CB . GLU A 1 233 ? -1.736 -0.410 11.920 1.0 94.62 ? 233 GLU A CB 1 O78126 UNP 233 E +ATOM 1887 O O . GLU A 1 233 ? -4.210 0.674 13.525 1.0 94.62 ? 233 GLU A O 1 O78126 UNP 233 E +ATOM 1888 C CG . GLU A 1 233 ? -1.147 -1.607 12.681 1.0 94.62 ? 233 GLU A CG 1 O78126 UNP 233 E +ATOM 1889 C CD . GLU A 1 233 ? -1.507 -2.975 12.086 1.0 94.62 ? 233 GLU A CD 1 O78126 UNP 233 E +ATOM 1890 O OE1 . GLU A 1 233 ? -1.932 -3.862 12.864 1.0 94.62 ? 233 GLU A OE1 1 O78126 UNP 233 E +ATOM 1891 O OE2 . GLU A 1 233 ? -1.421 -3.121 10.848 1.0 94.62 ? 233 GLU A OE2 1 O78126 UNP 233 E +ATOM 1892 N N . ILE A 1 234 ? -4.922 -1.413 13.161 1.0 95.81 ? 234 ILE A N 1 O78126 UNP 234 I +ATOM 1893 C CA . ILE A 1 234 ? -5.883 -1.457 14.267 1.0 95.81 ? 234 ILE A CA 1 O78126 UNP 234 I +ATOM 1894 C C . ILE A 1 234 ? -6.120 -2.910 14.673 1.0 95.81 ? 234 ILE A C 1 O78126 UNP 234 I +ATOM 1895 C CB . ILE A 1 234 ? -7.211 -0.745 13.898 1.0 95.81 ? 234 ILE A CB 1 O78126 UNP 234 I +ATOM 1896 O O . ILE A 1 234 ? -6.241 -3.800 13.828 1.0 95.81 ? 234 ILE A O 1 O78126 UNP 234 I +ATOM 1897 C CG1 . ILE A 1 234 ? -8.045 -0.479 15.169 1.0 95.81 ? 234 ILE A CG1 1 O78126 UNP 234 I +ATOM 1898 C CG2 . ILE A 1 234 ? -8.030 -1.538 12.868 1.0 95.81 ? 234 ILE A CG2 1 O78126 UNP 234 I +ATOM 1899 C CD1 . ILE A 1 234 ? -9.281 0.406 14.967 1.0 95.81 ? 234 ILE A CD1 1 O78126 UNP 234 I +ATOM 1900 N N . THR A 1 235 ? -6.270 -3.157 15.971 1.0 96.69 ? 235 THR A N 1 O78126 UNP 235 T +ATOM 1901 C CA . THR A 1 235 ? -6.607 -4.487 16.492 1.0 96.69 ? 235 THR A CA 1 O78126 UNP 235 T +ATOM 1902 C C . THR A 1 235 ? -7.986 -4.471 17.144 1.0 96.69 ? 235 THR A C 1 O78126 UNP 235 T +ATOM 1903 C CB . THR A 1 235 ? -5.522 -4.978 17.451 1.0 96.69 ? 235 THR A CB 1 O78126 UNP 235 T +ATOM 1904 O O . THR A 1 235 ? -8.232 -3.688 18.062 1.0 96.69 ? 235 THR A O 1 O78126 UNP 235 T +ATOM 1905 C CG2 . THR A 1 235 ? -5.834 -6.351 18.039 1.0 96.69 ? 235 THR A CG2 1 O78126 UNP 235 T +ATOM 1906 O OG1 . THR A 1 235 ? -4.300 -5.117 16.772 1.0 96.69 ? 235 THR A OG1 1 O78126 UNP 235 T +ATOM 1907 N N . LEU A 1 236 ? -8.878 -5.350 16.673 1.0 97.31 ? 236 LEU A N 1 O78126 UNP 236 L +ATOM 1908 C CA . LEU A 1 236 ? -10.202 -5.612 17.247 1.0 97.31 ? 236 LEU A CA 1 O78126 UNP 236 L +ATOM 1909 C C . LEU A 1 236 ? -10.257 -7.072 17.703 1.0 97.31 ? 236 LEU A C 1 O78126 UNP 236 L +ATOM 1910 C CB . LEU A 1 236 ? -11.320 -5.346 16.214 1.0 97.31 ? 236 LEU A CB 1 O78126 UNP 236 L +ATOM 1911 O O . LEU A 1 236 ? -10.073 -7.969 16.879 1.0 97.31 ? 236 LEU A O 1 O78126 UNP 236 L +ATOM 1912 C CG . LEU A 1 236 ? -11.836 -3.901 16.125 1.0 97.31 ? 236 LEU A CG 1 O78126 UNP 236 L +ATOM 1913 C CD1 . LEU A 1 236 ? -10.763 -2.900 15.708 1.0 97.31 ? 236 LEU A CD1 1 O78126 UNP 236 L +ATOM 1914 C CD2 . LEU A 1 236 ? -12.981 -3.825 15.111 1.0 97.31 ? 236 LEU A CD2 1 O78126 UNP 236 L +ATOM 1915 N N . THR A 1 237 ? -10.548 -7.315 18.980 1.0 96.44 ? 237 THR A N 1 O78126 UNP 237 T +ATOM 1916 C CA . THR A 1 237 ? -10.714 -8.672 19.526 1.0 96.44 ? 237 THR A CA 1 O78126 UNP 237 T +ATOM 1917 C C . THR A 1 237 ? -11.983 -8.790 20.360 1.0 96.44 ? 237 THR A C 1 O78126 UNP 237 T +ATOM 1918 C CB . THR A 1 237 ? -9.499 -9.143 20.344 1.0 96.44 ? 237 THR A CB 1 O78126 UNP 237 T +ATOM 1919 O O . THR A 1 237 ? -12.435 -7.823 20.973 1.0 96.44 ? 237 THR A O 1 O78126 UNP 237 T +ATOM 1920 C CG2 . THR A 1 237 ? -8.219 -9.196 19.514 1.0 96.44 ? 237 THR A CG2 1 O78126 UNP 237 T +ATOM 1921 O OG1 . THR A 1 237 ? -9.235 -8.302 21.438 1.0 96.44 ? 237 THR A OG1 1 O78126 UNP 237 T +ATOM 1922 N N . TRP A 1 238 ? -12.565 -9.988 20.386 1.0 97.31 ? 238 TRP A N 1 O78126 UNP 238 W +ATOM 1923 C CA . TRP A 1 238 ? -13.676 -10.329 21.270 1.0 97.31 ? 238 TRP A CA 1 O78126 UNP 238 W +ATOM 1924 C C . TRP A 1 238 ? -13.197 -11.224 22.404 1.0 97.31 ? 238 TRP A C 1 O78126 UNP 238 W +ATOM 1925 C CB . TRP A 1 238 ? -14.805 -10.997 20.485 1.0 97.31 ? 238 TRP A CB 1 O78126 UNP 238 W +ATOM 1926 O O . TRP A 1 238 ? -12.438 -12.166 22.179 1.0 97.31 ? 238 TRP A O 1 O78126 UNP 238 W +ATOM 1927 C CG . TRP A 1 238 ? -15.715 -10.038 19.792 1.0 97.31 ? 238 TRP A CG 1 O78126 UNP 238 W +ATOM 1928 C CD1 . TRP A 1 238 ? -15.702 -9.733 18.477 1.0 97.31 ? 238 TRP A CD1 1 O78126 UNP 238 W +ATOM 1929 C CD2 . TRP A 1 238 ? -16.809 -9.271 20.370 1.0 97.31 ? 238 TRP A CD2 1 O78126 UNP 238 W +ATOM 1930 C CE2 . TRP A 1 238 ? -17.448 -8.543 19.324 1.0 97.31 ? 238 TRP A CE2 1 O78126 UNP 238 W +ATOM 1931 C CE3 . TRP A 1 238 ? -17.345 -9.144 21.669 1.0 97.31 ? 238 TRP A CE3 1 O78126 UNP 238 W +ATOM 1932 N NE1 . TRP A 1 238 ? -16.718 -8.840 18.196 1.0 97.31 ? 238 TRP A NE1 1 O78126 UNP 238 W +ATOM 1933 C CH2 . TRP A 1 238 ? -19.108 -7.672 20.846 1.0 97.31 ? 238 TRP A CH2 1 O78126 UNP 238 W +ATOM 1934 C CZ2 . TRP A 1 238 ? -18.588 -7.759 19.545 1.0 97.31 ? 238 TRP A CZ2 1 O78126 UNP 238 W +ATOM 1935 C CZ3 . TRP A 1 238 ? -18.478 -8.344 21.906 1.0 97.31 ? 238 TRP A CZ3 1 O78126 UNP 238 W +ATOM 1936 N N . GLN A 1 239 ? -13.690 -10.948 23.607 1.0 96.94 ? 239 GLN A N 1 O78126 UNP 239 Q +ATOM 1937 C CA . GLN A 1 239 ? -13.494 -11.781 24.786 1.0 96.94 ? 239 GLN A CA 1 O78126 UNP 239 Q +ATOM 1938 C C . GLN A 1 239 ? -14.835 -12.159 25.402 1.0 96.94 ? 239 GLN A C 1 O78126 UNP 239 Q +ATOM 1939 C CB . GLN A 1 239 ? -12.608 -11.070 25.817 1.0 96.94 ? 239 GLN A CB 1 O78126 UNP 239 Q +ATOM 1940 O O . GLN A 1 239 ? -15.774 -11.363 25.383 1.0 96.94 ? 239 GLN A O 1 O78126 UNP 239 Q +ATOM 1941 C CG . GLN A 1 239 ? -11.174 -10.930 25.301 1.0 96.94 ? 239 GLN A CG 1 O78126 UNP 239 Q +ATOM 1942 C CD . GLN A 1 239 ? -10.191 -10.391 26.332 1.0 96.94 ? 239 GLN A CD 1 O78126 UNP 239 Q +ATOM 1943 N NE2 . GLN A 1 239 ? -8.917 -10.473 26.028 1.0 96.94 ? 239 GLN A NE2 1 O78126 UNP 239 Q +ATOM 1944 O OE1 . GLN A 1 239 ? -10.529 -9.918 27.409 1.0 96.94 ? 239 GLN A OE1 1 O78126 UNP 239 Q +ATOM 1945 N N . ARG A 1 240 ? -14.907 -13.357 25.982 1.0 96.38 ? 240 ARG A N 1 O78126 UNP 240 R +ATOM 1946 C CA . ARG A 1 240 ? -16.013 -13.817 26.828 1.0 96.38 ? 240 ARG A CA 1 O78126 UNP 240 R +ATOM 1947 C C . ARG A 1 240 ? -15.469 -14.111 28.217 1.0 96.38 ? 240 ARG A C 1 O78126 UNP 240 R +ATOM 1948 C CB . ARG A 1 240 ? -16.664 -15.052 26.197 1.0 96.38 ? 240 ARG A CB 1 O78126 UNP 240 R +ATOM 1949 O O . ARG A 1 240 ? -14.614 -14.976 28.355 1.0 96.38 ? 240 ARG A O 1 O78126 UNP 240 R +ATOM 1950 C CG . ARG A 1 240 ? -17.855 -15.536 27.040 1.0 96.38 ? 240 ARG A CG 1 O78126 UNP 240 R +ATOM 1951 C CD . ARG A 1 240 ? -18.493 -16.780 26.424 1.0 96.38 ? 240 ARG A CD 1 O78126 UNP 240 R +ATOM 1952 N NE . ARG A 1 240 ? -17.602 -17.953 26.486 1.0 96.38 ? 240 ARG A NE 1 O78126 UNP 240 R +ATOM 1953 N NH1 . ARG A 1 240 ? -18.746 -19.237 24.970 1.0 96.38 ? 240 ARG A NH1 1 O78126 UNP 240 R +ATOM 1954 N NH2 . ARG A 1 240 ? -16.818 -19.981 25.831 1.0 96.38 ? 240 ARG A NH2 1 O78126 UNP 240 R +ATOM 1955 C CZ . ARG A 1 240 ? -17.727 -19.050 25.765 1.0 96.38 ? 240 ARG A CZ 1 O78126 UNP 240 R +ATOM 1956 N N . ASP A 1 241 ? -15.929 -13.379 29.228 1.0 93.81 ? 241 ASP A N 1 O78126 UNP 241 D +ATOM 1957 C CA . ASP A 1 241 ? -15.416 -13.468 30.610 1.0 93.81 ? 241 ASP A CA 1 O78126 UNP 241 D +ATOM 1958 C C . ASP A 1 241 ? -13.876 -13.386 30.721 1.0 93.81 ? 241 ASP A C 1 O78126 UNP 241 D +ATOM 1959 C CB . ASP A 1 241 ? -15.985 -14.691 31.339 1.0 93.81 ? 241 ASP A CB 1 O78126 UNP 241 D +ATOM 1960 O O . ASP A 1 241 ? -13.268 -13.950 31.629 1.0 93.81 ? 241 ASP A O 1 O78126 UNP 241 D +ATOM 1961 C CG . ASP A 1 241 ? -17.505 -14.750 31.287 1.0 93.81 ? 241 ASP A CG 1 O78126 UNP 241 D +ATOM 1962 O OD1 . ASP A 1 241 ? -18.190 -13.754 31.606 1.0 93.81 ? 241 ASP A OD1 1 O78126 UNP 241 D +ATOM 1963 O OD2 . ASP A 1 241 ? -18.026 -15.824 30.931 1.0 93.81 ? 241 ASP A OD2 1 O78126 UNP 241 D +ATOM 1964 N N . GLY A 1 242 ? -13.242 -12.662 29.792 1.0 90.12 ? 242 GLY A N 1 O78126 UNP 242 G +ATOM 1965 C CA . GLY A 1 242 ? -11.787 -12.511 29.706 1.0 90.12 ? 242 GLY A CA 1 O78126 UNP 242 G +ATOM 1966 C C . GLY A 1 242 ? -11.062 -13.548 28.838 1.0 90.12 ? 242 GLY A C 1 O78126 UNP 242 G +ATOM 1967 O O . GLY A 1 242 ? -9.848 -13.445 28.690 1.0 90.12 ? 242 GLY A O 1 O78126 UNP 242 G +ATOM 1968 N N . GLU A 1 243 ? -11.764 -14.517 28.243 1.0 94.19 ? 243 GLU A N 1 O78126 UNP 243 E +ATOM 1969 C CA . GLU A 1 243 ? -11.187 -15.495 27.310 1.0 94.19 ? 243 GLU A CA 1 O78126 UNP 243 E +ATOM 1970 C C . GLU A 1 243 ? -11.383 -15.070 25.847 1.0 94.19 ? 243 GLU A C 1 O78126 UNP 243 E +ATOM 1971 C CB . GLU A 1 243 ? -11.799 -16.889 27.525 1.0 94.19 ? 243 GLU A CB 1 O78126 UNP 243 E +ATOM 1972 O O . GLU A 1 243 ? -12.509 -14.804 25.419 1.0 94.19 ? 243 GLU A O 1 O78126 UNP 243 E +ATOM 1973 C CG . GLU A 1 243 ? -11.507 -17.477 28.914 1.0 94.19 ? 243 GLU A CG 1 O78126 UNP 243 E +ATOM 1974 C CD . GLU A 1 243 ? -12.026 -18.918 29.079 1.0 94.19 ? 243 GLU A CD 1 O78126 UNP 243 E +ATOM 1975 O OE1 . GLU A 1 243 ? -11.592 -19.571 30.057 1.0 94.19 ? 243 GLU A OE1 1 O78126 UNP 243 E +ATOM 1976 O OE2 . GLU A 1 243 ? -12.853 -19.371 28.248 1.0 94.19 ? 243 GLU A OE2 1 O78126 UNP 243 E +ATOM 1977 N N . ASP A 1 244 ? -10.303 -15.047 25.061 1.0 94.06 ? 244 ASP A N 1 O78126 UNP 244 D +ATOM 1978 C CA . ASP A 1 244 ? -10.325 -14.655 23.645 1.0 94.06 ? 244 ASP A CA 1 O78126 UNP 244 D +ATOM 1979 C C . ASP A 1 244 ? -11.209 -15.580 22.787 1.0 94.06 ? 244 ASP A C 1 O78126 UNP 244 D +ATOM 1980 C CB . ASP A 1 244 ? -8.898 -14.618 23.070 1.0 94.06 ? 244 ASP A CB 1 O78126 UNP 244 D +ATOM 1981 O O . ASP A 1 244 ? -11.159 -16.803 22.905 1.0 94.06 ? 244 ASP A O 1 O78126 UNP 244 D +ATOM 1982 C CG . ASP A 1 244 ? -8.003 -13.504 23.631 1.0 94.06 ? 244 ASP A CG 1 O78126 UNP 244 D +ATOM 1983 O OD1 . ASP A 1 244 ? -8.531 -12.447 24.055 1.0 94.06 ? 244 ASP A OD1 1 O78126 UNP 244 D +ATOM 1984 O OD2 . ASP A 1 244 ? -6.769 -13.700 23.607 1.0 94.06 ? 244 ASP A OD2 1 O78126 UNP 244 D +ATOM 1985 N N . GLN A 1 245 ? -11.998 -14.990 21.883 1.0 93.94 ? 245 GLN A N 1 O78126 UNP 245 Q +ATOM 1986 C CA . GLN A 1 245 ? -12.957 -15.686 21.008 1.0 93.94 ? 245 GLN A CA 1 O78126 UNP 245 Q +ATOM 1987 C C . GLN A 1 245 ? -12.530 -15.668 19.527 1.0 93.94 ? 245 GLN A C 1 O78126 UNP 245 Q +ATOM 1988 C CB . GLN A 1 245 ? -14.376 -15.116 21.207 1.0 93.94 ? 245 GLN A CB 1 O78126 UNP 245 Q +ATOM 1989 O O . GLN A 1 245 ? -13.364 -15.562 18.631 1.0 93.94 ? 245 GLN A O 1 O78126 UNP 245 Q +ATOM 1990 C CG . GLN A 1 245 ? -14.905 -15.190 22.648 1.0 93.94 ? 245 GLN A CG 1 O78126 UNP 245 Q +ATOM 1991 C CD . GLN A 1 245 ? -14.986 -16.616 23.186 1.0 93.94 ? 245 GLN A CD 1 O78126 UNP 245 Q +ATOM 1992 N NE2 . GLN A 1 245 ? -14.152 -16.979 24.133 1.0 93.94 ? 245 GLN A NE2 1 O78126 UNP 245 Q +ATOM 1993 O OE1 . GLN A 1 245 ? -15.827 -17.409 22.802 1.0 93.94 ? 245 GLN A OE1 1 O78126 UNP 245 Q +ATOM 1994 N N . THR A 1 246 ? -11.226 -15.728 19.239 1.0 87.00 ? 246 THR A N 1 O78126 UNP 246 T +ATOM 1995 C CA . THR A 1 246 ? -10.676 -15.503 17.885 1.0 87.00 ? 246 THR A CA 1 O78126 UNP 246 T +ATOM 1996 C C . THR A 1 246 ? -11.237 -16.447 16.814 1.0 87.00 ? 246 THR A C 1 O78126 UNP 246 T +ATOM 1997 C CB . THR A 1 246 ? -9.143 -15.621 17.909 1.0 87.00 ? 246 THR A CB 1 O78126 UNP 246 T +ATOM 1998 O O . THR A 1 246 ? -11.428 -16.014 15.684 1.0 87.00 ? 246 THR A O 1 O78126 UNP 246 T +ATOM 1999 C CG2 . THR A 1 246 ? -8.468 -15.123 16.631 1.0 87.00 ? 246 THR A CG2 1 O78126 UNP 246 T +ATOM 2000 O OG1 . THR A 1 246 ? -8.634 -14.842 18.968 1.0 87.00 ? 246 THR A OG1 1 O78126 UNP 246 T +ATOM 2001 N N . GLN A 1 247 ? -11.511 -17.716 17.142 1.0 86.06 ? 247 GLN A N 1 O78126 UNP 247 Q +ATOM 2002 C CA . GLN A 1 247 ? -12.023 -18.698 16.168 1.0 86.06 ? 247 GLN A CA 1 O78126 UNP 247 Q +ATOM 2003 C C . GLN A 1 247 ? -13.505 -18.493 15.823 1.0 86.06 ? 247 GLN A C 1 O78126 UNP 247 Q +ATOM 2004 C CB . GLN A 1 247 ? -11.805 -20.129 16.686 1.0 86.06 ? 247 GLN A CB 1 O78126 UNP 247 Q +ATOM 2005 O O . GLN A 1 247 ? -13.904 -18.760 14.694 1.0 86.06 ? 247 GLN A O 1 O78126 UNP 247 Q +ATOM 2006 C CG . GLN A 1 247 ? -10.317 -20.503 16.744 1.0 86.06 ? 247 GLN A CG 1 O78126 UNP 247 Q +ATOM 2007 C CD . GLN A 1 247 ? -10.069 -21.963 17.115 1.0 86.06 ? 247 GLN A CD 1 O78126 UNP 247 Q +ATOM 2008 N NE2 . GLN A 1 247 ? -8.823 -22.371 17.219 1.0 86.06 ? 247 GLN A NE2 1 O78126 UNP 247 Q +ATOM 2009 O OE1 . GLN A 1 247 ? -10.949 -22.778 17.316 1.0 86.06 ? 247 GLN A OE1 1 O78126 UNP 247 Q +ATOM 2010 N N . ASP A 1 248 ? -14.289 -17.982 16.772 1.0 85.31 ? 248 ASP A N 1 O78126 UNP 248 D +ATOM 2011 C CA . ASP A 1 248 ? -15.734 -17.758 16.628 1.0 85.31 ? 248 ASP A CA 1 O78126 UNP 248 D +ATOM 2012 C C . ASP A 1 248 ? -16.060 -16.319 16.189 1.0 85.31 ? 248 ASP A C 1 O78126 UNP 248 D +ATOM 2013 C CB . ASP A 1 248 ? -16.426 -18.110 17.953 1.0 85.31 ? 248 ASP A CB 1 O78126 UNP 248 D +ATOM 2014 O O . ASP A 1 248 ? -17.224 -15.925 16.085 1.0 85.31 ? 248 ASP A O 1 O78126 UNP 248 D +ATOM 2015 C CG . ASP A 1 248 ? -16.157 -19.553 18.394 1.0 85.31 ? 248 ASP A CG 1 O78126 UNP 248 D +ATOM 2016 O OD1 . ASP A 1 248 ? -16.259 -20.461 17.540 1.0 85.31 ? 248 ASP A OD1 1 O78126 UNP 248 D +ATOM 2017 O OD2 . ASP A 1 248 ? -15.837 -19.737 19.590 1.0 85.31 ? 248 ASP A OD2 1 O78126 UNP 248 D +ATOM 2018 N N . THR A 1 249 ? -15.019 -15.513 15.956 1.0 93.62 ? 249 THR A N 1 O78126 UNP 249 T +ATOM 2019 C CA . THR A 1 249 ? -15.134 -14.115 15.551 1.0 93.62 ? 249 THR A CA 1 O78126 UNP 249 T +ATOM 2020 C C . THR A 1 249 ? -15.026 -13.984 14.039 1.0 93.62 ? 249 THR A C 1 O78126 UNP 249 T +ATOM 2021 C CB . THR A 1 249 ? -14.079 -13.243 16.241 1.0 93.62 ? 249 THR A CB 1 O78126 UNP 249 T +ATOM 2022 O O . THR A 1 249 ? -13.999 -14.293 13.436 1.0 93.62 ? 249 THR A O 1 O78126 UNP 249 T +ATOM 2023 C CG2 . THR A 1 249 ? -14.134 -11.782 15.793 1.0 93.62 ? 249 THR A CG2 1 O78126 UNP 249 T +ATOM 2024 O OG1 . THR A 1 249 ? -14.294 -13.229 17.632 1.0 93.62 ? 249 THR A OG1 1 O78126 UNP 249 T +ATOM 2025 N N . GLU A 1 250 ? -16.053 -13.408 13.428 1.0 96.06 ? 250 GLU A N 1 O78126 UNP 250 E +ATOM 2026 C CA . GLU A 1 250 ? -15.977 -12.890 12.069 1.0 96.06 ? 250 GLU A CA 1 O78126 UNP 250 E +ATOM 2027 C C . GLU A 1 250 ? -15.261 -11.532 12.095 1.0 96.06 ? 250 GLU A C 1 O78126 UNP 250 E +ATOM 2028 C CB . GLU A 1 250 ? -17.389 -12.799 11.480 1.0 96.06 ? 250 GLU A CB 1 O78126 UNP 250 E +ATOM 2029 O O . GLU A 1 250 ? -15.812 -10.526 12.552 1.0 96.06 ? 250 GLU A O 1 O78126 UNP 250 E +ATOM 2030 C CG . GLU A 1 250 ? -17.353 -12.419 9.992 1.0 96.06 ? 250 GLU A CG 1 O78126 UNP 250 E +ATOM 2031 C CD . GLU A 1 250 ? -18.749 -12.196 9.387 1.0 96.06 ? 250 GLU A CD 1 O78126 UNP 250 E +ATOM 2032 O OE1 . GLU A 1 250 ? -18.815 -12.062 8.144 1.0 96.06 ? 250 GLU A OE1 1 O78126 UNP 250 E +ATOM 2033 O OE2 . GLU A 1 250 ? -19.732 -12.025 10.147 1.0 96.06 ? 250 GLU A OE2 1 O78126 UNP 250 E +ATOM 2034 N N . LEU A 1 251 ? -14.014 -11.497 11.625 1.0 96.19 ? 251 LEU A N 1 O78126 UNP 251 L +ATOM 2035 C CA . LEU A 1 251 ? -13.199 -10.286 11.546 1.0 96.19 ? 251 LEU A CA 1 O78126 UNP 251 L +ATOM 2036 C C . LEU A 1 251 ? -12.965 -9.911 10.084 1.0 96.19 ? 251 LEU A C 1 O78126 UNP 251 L +ATOM 2037 C CB . LEU A 1 251 ? -11.875 -10.527 12.292 1.0 96.19 ? 251 LEU A CB 1 O78126 UNP 251 L +ATOM 2038 O O . LEU A 1 251 ? -12.366 -10.680 9.334 1.0 96.19 ? 251 LEU A O 1 O78126 UNP 251 L +ATOM 2039 C CG . LEU A 1 251 ? -10.966 -9.286 12.378 1.0 96.19 ? 251 LEU A CG 1 O78126 UNP 251 L +ATOM 2040 C CD1 . LEU A 1 251 ? -11.573 -8.207 13.273 1.0 96.19 ? 251 LEU A CD1 1 O78126 UNP 251 L +ATOM 2041 C CD2 . LEU A 1 251 ? -9.612 -9.667 12.973 1.0 96.19 ? 251 LEU A CD2 1 O78126 UNP 251 L +ATOM 2042 N N . VAL A 1 252 ? -13.380 -8.708 9.684 1.0 96.31 ? 252 VAL A N 1 O78126 UNP 252 V +ATOM 2043 C CA . VAL A 1 252 ? -13.083 -8.214 8.331 1.0 96.31 ? 252 VAL A CA 1 O78126 UNP 252 V +ATOM 2044 C C . VAL A 1 252 ? -11.716 -7.551 8.250 1.0 96.31 ? 252 VAL A C 1 O78126 UNP 252 V +ATOM 2045 C CB . VAL A 1 252 ? -14.166 -7.289 7.763 1.0 96.31 ? 252 VAL A CB 1 O78126 UNP 252 V +ATOM 2046 O O . VAL A 1 252 ? -11.223 -6.968 9.221 1.0 96.31 ? 252 VAL A O 1 O78126 UNP 252 V +ATOM 2047 C CG1 . VAL A 1 252 ? -15.462 -8.074 7.582 1.0 96.31 ? 252 VAL A CG1 1 O78126 UNP 252 V +ATOM 2048 C CG2 . VAL A 1 252 ? -14.422 -6.030 8.599 1.0 96.31 ? 252 VAL A CG2 1 O78126 UNP 252 V +ATOM 2049 N N . GLU A 1 253 ? -11.118 -7.577 7.061 1.0 96.31 ? 253 GLU A N 1 O78126 UNP 253 E +ATOM 2050 C CA . GLU A 1 253 ? -9.953 -6.753 6.741 1.0 96.31 ? 253 GLU A CA 1 O78126 UNP 253 E +ATOM 2051 C C . GLU A 1 253 ? -10.258 -5.262 6.935 1.0 96.31 ? 253 GLU A C 1 O78126 UNP 253 E +ATOM 2052 C CB . GLU A 1 253 ? -9.463 -7.018 5.314 1.0 96.31 ? 253 GLU A CB 1 O78126 UNP 253 E +ATOM 2053 O O . GLU A 1 253 ? -11.403 -4.807 6.829 1.0 96.31 ? 253 GLU A O 1 O78126 UNP 253 E +ATOM 2054 C CG . GLU A 1 253 ? -8.901 -8.440 5.168 1.0 96.31 ? 253 GLU A CG 1 O78126 UNP 253 E +ATOM 2055 C CD . GLU A 1 253 ? -8.277 -8.693 3.787 1.0 96.31 ? 253 GLU A CD 1 O78126 UNP 253 E +ATOM 2056 O OE1 . GLU A 1 253 ? -7.504 -9.669 3.686 1.0 96.31 ? 253 GLU A OE1 1 O78126 UNP 253 E +ATOM 2057 O OE2 . GLU A 1 253 ? -8.595 -7.929 2.847 1.0 96.31 ? 253 GLU A OE2 1 O78126 UNP 253 E +ATOM 2058 N N . THR A 1 254 ? -9.222 -4.494 7.266 1.0 97.56 ? 254 THR A N 1 O78126 UNP 254 T +ATOM 2059 C CA . THR A 1 254 ? -9.353 -3.041 7.369 1.0 97.56 ? 254 THR A CA 1 O78126 UNP 254 T +ATOM 2060 C C . THR A 1 254 ? -9.572 -2.472 5.974 1.0 97.56 ? 254 THR A C 1 O78126 UNP 254 T +ATOM 2061 C CB . THR A 1 254 ? -8.120 -2.402 8.013 1.0 97.56 ? 254 THR A CB 1 O78126 UNP 254 T +ATOM 2062 O O . THR A 1 254 ? -8.843 -2.808 5.045 1.0 97.56 ? 254 THR A O 1 O78126 UNP 254 T +ATOM 2063 C CG2 . THR A 1 254 ? -8.365 -0.909 8.203 1.0 97.56 ? 254 THR A CG2 1 O78126 UNP 254 T +ATOM 2064 O OG1 . THR A 1 254 ? -7.888 -2.990 9.279 1.0 97.56 ? 254 THR A OG1 1 O78126 UNP 254 T +ATOM 2065 N N . ARG A 1 255 ? -10.576 -1.608 5.812 1.0 96.81 ? 255 ARG A N 1 O78126 UNP 255 R +ATOM 2066 C CA . ARG A 1 255 ? -10.951 -1.061 4.502 1.0 96.81 ? 255 ARG A CA 1 O78126 UNP 255 R +ATOM 2067 C C . ARG A 1 255 ? -10.962 0.471 4.518 1.0 96.81 ? 255 ARG A C 1 O78126 UNP 255 R +ATOM 2068 C CB . ARG A 1 255 ? -12.266 -1.707 4.028 1.0 96.81 ? 255 ARG A CB 1 O78126 UNP 255 R +ATOM 2069 O O . ARG A 1 255 ? -11.356 1.056 5.532 1.0 96.81 ? 255 ARG A O 1 O78126 UNP 255 R +ATOM 2070 C CG . ARG A 1 255 ? -13.461 -1.272 4.877 1.0 96.81 ? 255 ARG A CG 1 O78126 UNP 255 R +ATOM 2071 C CD . ARG A 1 255 ? -14.714 -2.115 4.666 1.0 96.81 ? 255 ARG A CD 1 O78126 UNP 255 R +ATOM 2072 N NE . ARG A 1 255 ? -15.811 -1.610 5.513 1.0 96.81 ? 255 ARG A NE 1 O78126 UNP 255 R +ATOM 2073 N NH1 . ARG A 1 255 ? -17.287 -3.340 5.254 1.0 96.81 ? 255 ARG A NH1 1 O78126 UNP 255 R +ATOM 2074 N NH2 . ARG A 1 255 ? -17.861 -1.529 6.449 1.0 96.81 ? 255 ARG A NH2 1 O78126 UNP 255 R +ATOM 2075 C CZ . ARG A 1 255 ? -16.978 -2.169 5.740 1.0 96.81 ? 255 ARG A CZ 1 O78126 UNP 255 R +ATOM 2076 N N . PRO A 1 256 ? -10.572 1.129 3.415 1.0 96.75 ? 256 PRO A N 1 O78126 UNP 256 P +ATOM 2077 C CA . PRO A 1 256 ? -10.610 2.584 3.321 1.0 96.75 ? 256 PRO A CA 1 O78126 UNP 256 P +ATOM 2078 C C . PRO A 1 256 ? -12.058 3.099 3.305 1.0 96.75 ? 256 PRO A C 1 O78126 UNP 256 P +ATOM 2079 C CB . PRO A 1 256 ? -9.846 2.922 2.037 1.0 96.75 ? 256 PRO A CB 1 O78126 UNP 256 P +ATOM 2080 O O . PRO A 1 256 ? -12.957 2.463 2.747 1.0 96.75 ? 256 PRO A O 1 O78126 UNP 256 P +ATOM 2081 C CG . PRO A 1 256 ? -10.058 1.689 1.158 1.0 96.75 ? 256 PRO A CG 1 O78126 UNP 256 P +ATOM 2082 C CD . PRO A 1 256 ? -10.083 0.546 2.171 1.0 96.75 ? 256 PRO A CD 1 O78126 UNP 256 P +ATOM 2083 N N . ALA A 1 257 ? -12.290 4.263 3.909 1.0 95.81 ? 257 ALA A N 1 O78126 UNP 257 A +ATOM 2084 C CA . ALA A 1 257 ? -13.574 4.969 3.869 1.0 95.81 ? 257 ALA A CA 1 O78126 UNP 257 A +ATOM 2085 C C . ALA A 1 257 ? -13.697 5.925 2.664 1.0 95.81 ? 257 ALA A C 1 O78126 UNP 257 A +ATOM 2086 C CB . ALA A 1 257 ? -13.754 5.692 5.206 1.0 95.81 ? 257 ALA A CB 1 O78126 UNP 257 A +ATOM 2087 O O . ALA A 1 257 ? -14.806 6.298 2.289 1.0 95.81 ? 257 ALA A O 1 O78126 UNP 257 A +ATOM 2088 N N . GLY A 1 258 ? -12.574 6.274 2.025 1.0 92.56 ? 258 GLY A N 1 O78126 UNP 258 G +ATOM 2089 C CA . GLY A 1 258 ? -12.513 7.151 0.845 1.0 92.56 ? 258 GLY A CA 1 O78126 UNP 258 G +ATOM 2090 C C . GLY A 1 258 ? -12.173 8.615 1.147 1.0 92.56 ? 258 GLY A C 1 O78126 UNP 258 G +ATOM 2091 O O . GLY A 1 258 ? -11.880 9.368 0.225 1.0 92.56 ? 258 GLY A O 1 O78126 UNP 258 G +ATOM 2092 N N . ASP A 1 259 ? -12.143 9.004 2.419 1.0 91.75 ? 259 ASP A N 1 O78126 UNP 259 D +ATOM 2093 C CA . ASP A 1 259 ? -11.778 10.339 2.920 1.0 91.75 ? 259 ASP A CA 1 O78126 UNP 259 D +ATOM 2094 C C . ASP A 1 259 ? -10.371 10.378 3.559 1.0 91.75 ? 259 ASP A C 1 O78126 UNP 259 D +ATOM 2095 C CB . ASP A 1 259 ? -12.871 10.807 3.897 1.0 91.75 ? 259 ASP A CB 1 O78126 UNP 259 D +ATOM 2096 O O . ASP A 1 259 ? -10.011 11.325 4.256 1.0 91.75 ? 259 ASP A O 1 O78126 UNP 259 D +ATOM 2097 C CG . ASP A 1 259 ? -13.016 9.912 5.137 1.0 91.75 ? 259 ASP A CG 1 O78126 UNP 259 D +ATOM 2098 O OD1 . ASP A 1 259 ? -12.301 8.882 5.230 1.0 91.75 ? 259 ASP A OD1 1 O78126 UNP 259 D +ATOM 2099 O OD2 . ASP A 1 259 ? -13.887 10.223 5.976 1.0 91.75 ? 259 ASP A OD2 1 O78126 UNP 259 D +ATOM 2100 N N . GLY A 1 260 ? -9.572 9.330 3.334 1.0 91.12 ? 260 GLY A N 1 O78126 UNP 260 G +ATOM 2101 C CA . GLY A 1 260 ? -8.264 9.142 3.965 1.0 91.12 ? 260 GLY A CA 1 O78126 UNP 260 G +ATOM 2102 C C . GLY A 1 260 ? -8.317 8.503 5.357 1.0 91.12 ? 260 GLY A C 1 O78126 UNP 260 G +ATOM 2103 O O . GLY A 1 260 ? -7.279 8.423 6.006 1.0 91.12 ? 260 GLY A O 1 O78126 UNP 260 G +ATOM 2104 N N . THR A 1 261 ? -9.491 8.050 5.814 1.0 96.12 ? 261 THR A N 1 O78126 UNP 261 T +ATOM 2105 C CA . THR A 1 261 ? -9.649 7.247 7.037 1.0 96.12 ? 261 THR A CA 1 O78126 UNP 261 T +ATOM 2106 C C . THR A 1 261 ? -10.015 5.793 6.730 1.0 96.12 ? 261 THR A C 1 O78126 UNP 261 T +ATOM 2107 C CB . THR A 1 261 ? -10.676 7.860 8.005 1.0 96.12 ? 261 THR A CB 1 O78126 UNP 261 T +ATOM 2108 O O . THR A 1 261 ? -10.298 5.416 5.585 1.0 96.12 ? 261 THR A O 1 O78126 UNP 261 T +ATOM 2109 C CG2 . THR A 1 261 ? -10.443 9.342 8.290 1.0 96.12 ? 261 THR A CG2 1 O78126 UNP 261 T +ATOM 2110 O OG1 . THR A 1 261 ? -12.001 7.691 7.550 1.0 96.12 ? 261 THR A OG1 1 O78126 UNP 261 T +ATOM 2111 N N . PHE A 1 262 ? -10.028 4.966 7.774 1.0 97.81 ? 262 PHE A N 1 O78126 UNP 262 F +ATOM 2112 C CA . PHE A 1 262 ? -10.290 3.536 7.712 1.0 97.81 ? 262 PHE A CA 1 O78126 UNP 262 F +ATOM 2113 C C . PHE A 1 262 ? -11.495 3.125 8.558 1.0 97.81 ? 262 PHE A C 1 O78126 UNP 262 F +ATOM 2114 C CB . PHE A 1 262 ? -9.016 2.784 8.113 1.0 97.81 ? 262 PHE A CB 1 O78126 UNP 262 F +ATOM 2115 O O . PHE A 1 262 ? -11.998 3.853 9.420 1.0 97.81 ? 262 PHE A O 1 O78126 UNP 262 F +ATOM 2116 C CG . PHE A 1 262 ? -7.878 3.040 7.151 1.0 97.81 ? 262 PHE A CG 1 O78126 UNP 262 F +ATOM 2117 C CD1 . PHE A 1 262 ? -7.767 2.279 5.973 1.0 97.81 ? 262 PHE A CD1 1 O78126 UNP 262 F +ATOM 2118 C CD2 . PHE A 1 262 ? -6.986 4.101 7.393 1.0 97.81 ? 262 PHE A CD2 1 O78126 UNP 262 F +ATOM 2119 C CE1 . PHE A 1 262 ? -6.800 2.614 5.011 1.0 97.81 ? 262 PHE A CE1 1 O78126 UNP 262 F +ATOM 2120 C CE2 . PHE A 1 262 ? -6.025 4.440 6.427 1.0 97.81 ? 262 PHE A CE2 1 O78126 UNP 262 F +ATOM 2121 C CZ . PHE A 1 262 ? -5.960 3.719 5.223 1.0 97.81 ? 262 PHE A CZ 1 O78126 UNP 262 F +ATOM 2122 N N . GLN A 1 263 ? -11.985 1.925 8.271 1.0 98.12 ? 263 GLN A N 1 O78126 UNP 263 Q +ATOM 2123 C CA . GLN A 1 263 ? -13.054 1.266 9.010 1.0 98.12 ? 263 GLN A CA 1 O78126 UNP 263 Q +ATOM 2124 C C . GLN A 1 263 ? -12.780 -0.238 9.109 1.0 98.12 ? 263 GLN A C 1 O78126 UNP 263 Q +ATOM 2125 C CB . GLN A 1 263 ? -14.434 1.571 8.398 1.0 98.12 ? 263 GLN A CB 1 O78126 UNP 263 Q +ATOM 2126 O O . GLN A 1 263 ? -12.230 -0.852 8.190 1.0 98.12 ? 263 GLN A O 1 O78126 UNP 263 Q +ATOM 2127 C CG . GLN A 1 263 ? -14.417 1.541 6.868 1.0 98.12 ? 263 GLN A CG 1 O78126 UNP 263 Q +ATOM 2128 C CD . GLN A 1 263 ? -15.778 1.477 6.195 1.0 98.12 ? 263 GLN A CD 1 O78126 UNP 263 Q +ATOM 2129 N NE2 . GLN A 1 263 ? -15.825 1.680 4.898 1.0 98.12 ? 263 GLN A NE2 1 O78126 UNP 263 Q +ATOM 2130 O OE1 . GLN A 1 263 ? -16.793 1.098 6.764 1.0 98.12 ? 263 GLN A OE1 1 O78126 UNP 263 Q +ATOM 2131 N N . LYS A 1 264 ? -13.199 -0.839 10.222 1.0 98.44 ? 264 LYS A N 1 O78126 UNP 264 K +ATOM 2132 C CA . LYS A 1 264 ? -13.100 -2.276 10.500 1.0 98.44 ? 264 LYS A CA 1 O78126 UNP 264 K +ATOM 2133 C C . LYS A 1 264 ? -14.233 -2.681 11.438 1.0 98.44 ? 264 LYS A C 1 O78126 UNP 264 K +ATOM 2134 C CB . LYS A 1 264 ? -11.724 -2.575 11.123 1.0 98.44 ? 264 LYS A CB 1 O78126 UNP 264 K +ATOM 2135 O O . LYS A 1 264 ? -14.735 -1.860 12.206 1.0 98.44 ? 264 LYS A O 1 O78126 UNP 264 K +ATOM 2136 C CG . LYS A 1 264 ? -11.335 -4.062 11.054 1.0 98.44 ? 264 LYS A CG 1 O78126 UNP 264 K +ATOM 2137 C CD . LYS A 1 264 ? -9.994 -4.269 11.767 1.0 98.44 ? 264 LYS A CD 1 O78126 UNP 264 K +ATOM 2138 C CE . LYS A 1 264 ? -9.393 -5.668 11.615 1.0 98.44 ? 264 LYS A CE 1 O78126 UNP 264 K +ATOM 2139 N NZ . LYS A 1 264 ? -8.911 -5.890 10.237 1.0 98.44 ? 264 LYS A NZ 1 O78126 UNP 264 K +ATOM 2140 N N . TRP A 1 265 ? -14.639 -3.941 11.394 1.0 98.12 ? 265 TRP A N 1 O78126 UNP 265 W +ATOM 2141 C CA . TRP A 1 265 ? -15.552 -4.489 12.387 1.0 98.12 ? 265 TRP A CA 1 O78126 UNP 265 W +ATOM 2142 C C . TRP A 1 265 ? -15.213 -5.938 12.716 1.0 98.12 ? 265 TRP A C 1 O78126 UNP 265 W +ATOM 2143 C CB . TRP A 1 265 ? -17.007 -4.307 11.933 1.0 98.12 ? 265 TRP A CB 1 O78126 UNP 265 W +ATOM 2144 O O . TRP A 1 265 ? -14.576 -6.638 11.930 1.0 98.12 ? 265 TRP A O 1 O78126 UNP 265 W +ATOM 2145 C CG . TRP A 1 265 ? -17.375 -4.951 10.636 1.0 98.12 ? 265 TRP A CG 1 O78126 UNP 265 W +ATOM 2146 C CD1 . TRP A 1 265 ? -17.442 -4.326 9.440 1.0 98.12 ? 265 TRP A CD1 1 O78126 UNP 265 W +ATOM 2147 C CD2 . TRP A 1 265 ? -17.719 -6.346 10.384 1.0 98.12 ? 265 TRP A CD2 1 O78126 UNP 265 W +ATOM 2148 C CE2 . TRP A 1 265 ? -18.052 -6.475 9.004 1.0 98.12 ? 265 TRP A CE2 1 O78126 UNP 265 W +ATOM 2149 C CE3 . TRP A 1 265 ? -17.790 -7.513 11.176 1.0 98.12 ? 265 TRP A CE3 1 O78126 UNP 265 W +ATOM 2150 N NE1 . TRP A 1 265 ? -17.829 -5.228 8.470 1.0 98.12 ? 265 TRP A NE1 1 O78126 UNP 265 W +ATOM 2151 C CH2 . TRP A 1 265 ? -18.536 -8.816 9.259 1.0 98.12 ? 265 TRP A CH2 1 O78126 UNP 265 W +ATOM 2152 C CZ2 . TRP A 1 265 ? -18.482 -7.680 8.445 1.0 98.12 ? 265 TRP A CZ2 1 O78126 UNP 265 W +ATOM 2153 C CZ3 . TRP A 1 265 ? -18.175 -8.742 10.614 1.0 98.12 ? 265 TRP A CZ3 1 O78126 UNP 265 W +ATOM 2154 N N . ALA A 1 266 ? -15.652 -6.364 13.894 1.0 98.00 ? 266 ALA A N 1 O78126 UNP 266 A +ATOM 2155 C CA . ALA A 1 266 ? -15.556 -7.736 14.368 1.0 98.00 ? 266 ALA A CA 1 O78126 UNP 266 A +ATOM 2156 C C . ALA A 1 266 ? -16.919 -8.167 14.914 1.0 98.00 ? 266 ALA A C 1 O78126 UNP 266 A +ATOM 2157 C CB . ALA A 1 266 ? -14.467 -7.810 15.443 1.0 98.00 ? 266 ALA A CB 1 O78126 UNP 266 A +ATOM 2158 O O . ALA A 1 266 ? -17.523 -7.424 15.696 1.0 98.00 ? 266 ALA A O 1 O78126 UNP 266 A +ATOM 2159 N N . ALA A 1 267 ? -17.408 -9.340 14.531 1.0 97.38 ? 267 ALA A N 1 O78126 UNP 267 A +ATOM 2160 C CA . ALA A 1 267 ? -18.689 -9.868 14.978 1.0 97.38 ? 267 ALA A CA 1 O78126 UNP 267 A +ATOM 2161 C C . ALA A 1 267 ? -18.547 -11.242 15.632 1.0 97.38 ? 267 ALA A C 1 O78126 UNP 267 A +ATOM 2162 C CB . ALA A 1 267 ? -19.682 -9.878 13.812 1.0 97.38 ? 267 ALA A CB 1 O78126 UNP 267 A +ATOM 2163 O O . ALA A 1 267 ? -17.698 -12.031 15.239 1.0 97.38 ? 267 ALA A O 1 O78126 UNP 267 A +ATOM 2164 N N . VAL A 1 268 ? -19.396 -11.521 16.616 1.0 97.12 ? 268 VAL A N 1 O78126 UNP 268 V +ATOM 2165 C CA . VAL A 1 268 ? -19.471 -12.813 17.305 1.0 97.12 ? 268 VAL A CA 1 O78126 UNP 268 V +ATOM 2166 C C . VAL A 1 268 ? -20.937 -13.197 17.491 1.0 97.12 ? 268 VAL A C 1 O78126 UNP 268 V +ATOM 2167 C CB . VAL A 1 268 ? -18.668 -12.773 18.623 1.0 97.12 ? 268 VAL A CB 1 O78126 UNP 268 V +ATOM 2168 O O . VAL A 1 268 ? -21.792 -12.335 17.727 1.0 97.12 ? 268 VAL A O 1 O78126 UNP 268 V +ATOM 2169 C CG1 . VAL A 1 268 ? -19.247 -11.805 19.661 1.0 97.12 ? 268 VAL A CG1 1 O78126 UNP 268 V +ATOM 2170 C CG2 . VAL A 1 268 ? -18.525 -14.160 19.255 1.0 97.12 ? 268 VAL A CG2 1 O78126 UNP 268 V +ATOM 2171 N N . VAL A 1 269 ? -21.238 -14.487 17.353 1.0 96.56 ? 269 VAL A N 1 O78126 UNP 269 V +ATOM 2172 C CA . VAL A 1 269 ? -22.558 -15.040 17.680 1.0 96.56 ? 269 VAL A CA 1 O78126 UNP 269 V +ATOM 2173 C C . VAL A 1 269 ? -22.592 -15.339 19.174 1.0 96.56 ? 269 VAL A C 1 O78126 UNP 269 V +ATOM 2174 C CB . VAL A 1 269 ? -22.893 -16.286 16.840 1.0 96.56 ? 269 VAL A CB 1 O78126 UNP 269 V +ATOM 2175 O O . VAL A 1 269 ? -21.698 -15.994 19.709 1.0 96.56 ? 269 VAL A O 1 O78126 UNP 269 V +ATOM 2176 C CG1 . VAL A 1 269 ? -24.296 -16.811 17.173 1.0 96.56 ? 269 VAL A CG1 1 O78126 UNP 269 V +ATOM 2177 C CG2 . VAL A 1 269 ? -22.861 -15.954 15.341 1.0 96.56 ? 269 VAL A CG2 1 O78126 UNP 269 V +ATOM 2178 N N . VAL A 1 270 ? -23.611 -14.832 19.859 1.0 95.56 ? 270 VAL A N 1 O78126 UNP 270 V +ATOM 2179 C CA . VAL A 1 270 ? -23.768 -14.954 21.307 1.0 95.56 ? 270 VAL A CA 1 O78126 UNP 270 V +ATOM 2180 C C . VAL A 1 270 ? -25.128 -15.558 21.644 1.0 95.56 ? 270 VAL A C 1 O78126 UNP 270 V +ATOM 2181 C CB . VAL A 1 270 ? -23.554 -13.619 22.042 1.0 95.56 ? 270 VAL A CB 1 O78126 UNP 270 V +ATOM 2182 O O . VAL A 1 270 ? -26.121 -15.217 20.996 1.0 95.56 ? 270 VAL A O 1 O78126 UNP 270 V +ATOM 2183 C CG1 . VAL A 1 270 ? -22.217 -12.989 21.649 1.0 95.56 ? 270 VAL A CG1 1 O78126 UNP 270 V +ATOM 2184 C CG2 . VAL A 1 270 ? -24.636 -12.565 21.796 1.0 95.56 ? 270 VAL A CG2 1 O78126 UNP 270 V +ATOM 2185 N N . PRO A 1 271 ? -25.213 -16.419 22.672 1.0 95.00 ? 271 PRO A N 1 O78126 UNP 271 P +ATOM 2186 C CA . PRO A 1 271 ? -26.497 -16.868 23.187 1.0 95.00 ? 271 PRO A CA 1 O78126 UNP 271 P +ATOM 2187 C C . PRO A 1 271 ? -27.296 -15.699 23.769 1.0 95.00 ? 271 PRO A C 1 O78126 UNP 271 P +ATOM 2188 C CB . PRO A 1 271 ? -26.185 -17.916 24.258 1.0 95.00 ? 271 PRO A CB 1 O78126 UNP 271 P +ATOM 2189 O O . PRO A 1 271 ? -26.736 -14.853 24.475 1.0 95.00 ? 271 PRO A O 1 O78126 UNP 271 P +ATOM 2190 C CG . PRO A 1 271 ? -24.764 -18.367 23.922 1.0 95.00 ? 271 PRO A CG 1 O78126 UNP 271 P +ATOM 2191 C CD . PRO A 1 271 ? -24.126 -17.108 23.348 1.0 95.00 ? 271 PRO A CD 1 O78126 UNP 271 P +ATOM 2192 N N . SER A 1 272 ? -28.606 -15.686 23.531 1.0 89.75 ? 272 SER A N 1 O78126 UNP 272 S +ATOM 2193 C CA . SER A 1 272 ? -29.501 -14.662 24.072 1.0 89.75 ? 272 SER A CA 1 O78126 UNP 272 S +ATOM 2194 C C . SER A 1 272 ? -29.418 -14.599 25.600 1.0 89.75 ? 272 SER A C 1 O78126 UNP 272 S +ATOM 2195 C CB . SER A 1 272 ? -30.944 -14.916 23.635 1.0 89.75 ? 272 SER A CB 1 O78126 UNP 272 S +ATOM 2196 O O . SER A 1 272 ? -29.461 -15.621 26.291 1.0 89.75 ? 272 SER A O 1 O78126 UNP 272 S +ATOM 2197 O OG . SER A 1 272 ? -31.040 -14.860 22.227 1.0 89.75 ? 272 SER A OG 1 O78126 UNP 272 S +ATOM 2198 N N . GLY A 1 273 ? -29.286 -13.388 26.138 1.0 88.88 ? 273 GLY A N 1 O78126 UNP 273 G +ATOM 2199 C CA . GLY A 1 273 ? -29.126 -13.130 27.573 1.0 88.88 ? 273 GLY A CA 1 O78126 UNP 273 G +ATOM 2200 C C . GLY A 1 273 ? -27.687 -13.244 28.088 1.0 88.88 ? 273 GLY A C 1 O78126 UNP 273 G +ATOM 2201 O O . GLY A 1 273 ? -27.442 -12.984 29.268 1.0 88.88 ? 273 GLY A O 1 O78126 UNP 273 G +ATOM 2202 N N . GLN A 1 274 ? -26.725 -13.621 27.239 1.0 93.50 ? 274 GLN A N 1 O78126 UNP 274 Q +ATOM 2203 C CA . GLN A 1 274 ? -25.302 -13.675 27.592 1.0 93.50 ? 274 GLN A CA 1 O78126 UNP 274 Q +ATOM 2204 C C . GLN A 1 274 ? -24.488 -12.518 27.008 1.0 93.50 ? 274 GLN A C 1 O78126 UNP 274 Q +ATOM 2205 C CB . GLN A 1 274 ? -24.697 -15.035 27.220 1.0 93.50 ? 274 GLN A CB 1 O78126 UNP 274 Q +ATOM 2206 O O . GLN A 1 274 ? -23.276 -12.480 27.207 1.0 93.50 ? 274 GLN A O 1 O78126 UNP 274 Q +ATOM 2207 C CG . GLN A 1 274 ? -25.411 -16.186 27.942 1.0 93.50 ? 274 GLN A CG 1 O78126 UNP 274 Q +ATOM 2208 C CD . GLN A 1 274 ? -24.652 -17.499 27.833 1.0 93.50 ? 274 GLN A CD 1 O78126 UNP 274 Q +ATOM 2209 N NE2 . GLN A 1 274 ? -25.340 -18.615 27.756 1.0 93.50 ? 274 GLN A NE2 1 O78126 UNP 274 Q +ATOM 2210 O OE1 . GLN A 1 274 ? -23.433 -17.560 27.887 1.0 93.50 ? 274 GLN A OE1 1 O78126 UNP 274 Q +ATOM 2211 N N . GLU A 1 275 ? -25.120 -11.547 26.348 1.0 93.31 ? 275 GLU A N 1 O78126 UNP 275 E +ATOM 2212 C CA . GLU A 1 275 ? -24.467 -10.439 25.640 1.0 93.31 ? 275 GLU A CA 1 O78126 UNP 275 E +ATOM 2213 C C . GLU A 1 275 ? -23.501 -9.662 26.550 1.0 93.31 ? 275 GLU A C 1 O78126 UNP 275 E +ATOM 2214 C CB . GLU A 1 275 ? -25.521 -9.456 25.082 1.0 93.31 ? 275 GLU A CB 1 O78126 UNP 275 E +ATOM 2215 O O . GLU A 1 275 ? -22.420 -9.268 26.124 1.0 93.31 ? 275 GLU A O 1 O78126 UNP 275 E +ATOM 2216 C CG . GLU A 1 275 ? -26.562 -10.028 24.095 1.0 93.31 ? 275 GLU A CG 1 O78126 UNP 275 E +ATOM 2217 C CD . GLU A 1 275 ? -27.717 -10.800 24.757 1.0 93.31 ? 275 GLU A CD 1 O78126 UNP 275 E +ATOM 2218 O OE1 . GLU A 1 275 ? -28.568 -11.368 24.043 1.0 93.31 ? 275 GLU A OE1 1 O78126 UNP 275 E +ATOM 2219 O OE2 . GLU A 1 275 ? -27.752 -10.871 26.007 1.0 93.31 ? 275 GLU A OE2 1 O78126 UNP 275 E +ATOM 2220 N N . GLN A 1 276 ? -23.849 -9.502 27.832 1.0 92.81 ? 276 GLN A N 1 O78126 UNP 276 Q +ATOM 2221 C CA . GLN A 1 276 ? -23.042 -8.778 28.825 1.0 92.81 ? 276 GLN A CA 1 O78126 UNP 276 Q +ATOM 2222 C C . GLN A 1 276 ? -21.723 -9.472 29.199 1.0 92.81 ? 276 GLN A C 1 O78126 UNP 276 Q +ATOM 2223 C CB . GLN A 1 276 ? -23.876 -8.565 30.101 1.0 92.81 ? 276 GLN A CB 1 O78126 UNP 276 Q +ATOM 2224 O O . GLN A 1 276 ? -20.824 -8.825 29.741 1.0 92.81 ? 276 GLN A O 1 O78126 UNP 276 Q +ATOM 2225 C CG . GLN A 1 276 ? -25.097 -7.660 29.887 1.0 92.81 ? 276 GLN A CG 1 O78126 UNP 276 Q +ATOM 2226 C CD . GLN A 1 276 ? -24.707 -6.288 29.354 1.0 92.81 ? 276 GLN A CD 1 O78126 UNP 276 Q +ATOM 2227 N NE2 . GLN A 1 276 ? -25.428 -5.789 28.380 1.0 92.81 ? 276 GLN A NE2 1 O78126 UNP 276 Q +ATOM 2228 O OE1 . GLN A 1 276 ? -23.746 -5.671 29.788 1.0 92.81 ? 276 GLN A OE1 1 O78126 UNP 276 Q +ATOM 2229 N N . ARG A 1 277 ? -21.598 -10.778 28.929 1.0 95.31 ? 277 ARG A N 1 O78126 UNP 277 R +ATOM 2230 C CA . ARG A 1 277 ? -20.359 -11.546 29.153 1.0 95.31 ? 277 ARG A CA 1 O78126 UNP 277 R +ATOM 2231 C C . ARG A 1 277 ? -19.319 -11.289 28.067 1.0 95.31 ? 277 ARG A C 1 O78126 UNP 277 R +ATOM 2232 C CB . ARG A 1 277 ? -20.664 -13.050 29.229 1.0 95.31 ? 277 ARG A CB 1 O78126 UNP 277 R +ATOM 2233 O O . ARG A 1 277 ? -18.151 -11.617 28.266 1.0 95.31 ? 277 ARG A O 1 O78126 UNP 277 R +ATOM 2234 C CG . ARG A 1 277 ? -21.564 -13.410 30.419 1.0 95.31 ? 277 ARG A CG 1 O78126 UNP 277 R +ATOM 2235 C CD . ARG A 1 277 ? -21.946 -14.893 30.398 1.0 95.31 ? 277 ARG A CD 1 O78126 UNP 277 R +ATOM 2236 N NE . ARG A 1 277 ? -20.795 -15.783 30.635 1.0 95.31 ? 277 ARG A NE 1 O78126 UNP 277 R +ATOM 2237 N NH1 . ARG A 1 277 ? -21.829 -17.790 30.183 1.0 95.31 ? 277 ARG A NH1 1 O78126 UNP 277 R +ATOM 2238 N NH2 . ARG A 1 277 ? -19.759 -17.784 30.944 1.0 95.31 ? 277 ARG A NH2 1 O78126 UNP 277 R +ATOM 2239 C CZ . ARG A 1 277 ? -20.803 -17.102 30.593 1.0 95.31 ? 277 ARG A CZ 1 O78126 UNP 277 R +ATOM 2240 N N . TYR A 1 278 ? -19.740 -10.717 26.938 1.0 96.25 ? 278 TYR A N 1 O78126 UNP 278 Y +ATOM 2241 C CA . TYR A 1 278 ? -18.886 -10.455 25.792 1.0 96.25 ? 278 TYR A CA 1 O78126 UNP 278 Y +ATOM 2242 C C . TYR A 1 278 ? -18.395 -9.005 25.791 1.0 96.25 ? 278 TYR A C 1 O78126 UNP 278 Y +ATOM 2243 C CB . TYR A 1 278 ? -19.597 -10.837 24.488 1.0 96.25 ? 278 TYR A CB 1 O78126 UNP 278 Y +ATOM 2244 O O . TYR A 1 278 ? -19.168 -8.056 25.938 1.0 96.25 ? 278 TYR A O 1 O78126 UNP 278 Y +ATOM 2245 C CG . TYR A 1 278 ? -19.793 -12.330 24.296 1.0 96.25 ? 278 TYR A CG 1 O78126 UNP 278 Y +ATOM 2246 C CD1 . TYR A 1 278 ? -18.957 -13.047 23.418 1.0 96.25 ? 278 TYR A CD1 1 O78126 UNP 278 Y +ATOM 2247 C CD2 . TYR A 1 278 ? -20.832 -12.999 24.969 1.0 96.25 ? 278 TYR A CD2 1 O78126 UNP 278 Y +ATOM 2248 C CE1 . TYR A 1 278 ? -19.182 -14.418 23.187 1.0 96.25 ? 278 TYR A CE1 1 O78126 UNP 278 Y +ATOM 2249 C CE2 . TYR A 1 278 ? -21.045 -14.376 24.767 1.0 96.25 ? 278 TYR A CE2 1 O78126 UNP 278 Y +ATOM 2250 O OH . TYR A 1 278 ? -20.468 -16.400 23.605 1.0 96.25 ? 278 TYR A OH 1 O78126 UNP 278 Y +ATOM 2251 C CZ . TYR A 1 278 ? -20.235 -15.082 23.853 1.0 96.25 ? 278 TYR A CZ 1 O78126 UNP 278 Y +ATOM 2252 N N . THR A 1 279 ? -17.093 -8.829 25.594 1.0 97.25 ? 279 THR A N 1 O78126 UNP 279 T +ATOM 2253 C CA . THR A 1 279 ? -16.435 -7.525 25.476 1.0 97.25 ? 279 THR A CA 1 O78126 UNP 279 T +ATOM 2254 C C . THR A 1 279 ? -15.653 -7.438 24.175 1.0 97.25 ? 279 THR A C 1 O78126 UNP 279 T +ATOM 2255 C CB . THR A 1 279 ? -15.502 -7.234 26.664 1.0 97.25 ? 279 THR A CB 1 O78126 UNP 279 T +ATOM 2256 O O . THR A 1 279 ? -14.919 -8.357 23.820 1.0 97.25 ? 279 THR A O 1 O78126 UNP 279 T +ATOM 2257 C CG2 . THR A 1 279 ? -16.276 -6.913 27.937 1.0 97.25 ? 279 THR A CG2 1 O78126 UNP 279 T +ATOM 2258 O OG1 . THR A 1 279 ? -14.664 -8.310 26.995 1.0 97.25 ? 279 THR A OG1 1 O78126 UNP 279 T +ATOM 2259 N N . CYS A 1 280 ? -15.781 -6.312 23.475 1.0 97.56 ? 280 CYS A N 1 O78126 UNP 280 C +ATOM 2260 C CA . CYS A 1 280 ? -14.919 -5.985 22.342 1.0 97.56 ? 280 CYS A CA 1 O78126 UNP 280 C +ATOM 2261 C C . CYS A 1 280 ? -13.766 -5.102 22.819 1.0 97.56 ? 280 CYS A C 1 O78126 UNP 280 C +ATOM 2262 C CB . CYS A 1 280 ? -15.722 -5.293 21.244 1.0 97.56 ? 280 CYS A CB 1 O78126 UNP 280 C +ATOM 2263 O O . CYS A 1 280 ? -13.999 -4.079 23.464 1.0 97.56 ? 280 CYS A O 1 O78126 UNP 280 C +ATOM 2264 S SG . CYS A 1 280 ? -14.729 -4.701 19.846 1.0 97.56 ? 280 CYS A SG 1 O78126 UNP 280 C +ATOM 2265 N N . HIS A 1 281 ? -12.539 -5.471 22.476 1.0 97.19 ? 281 HIS A N 1 O78126 UNP 281 H +ATOM 2266 C CA . HIS A 1 281 ? -11.334 -4.714 22.777 1.0 97.19 ? 281 HIS A CA 1 O78126 UNP 281 H +ATOM 2267 C C . HIS A 1 281 ? -10.802 -4.074 21.499 1.0 97.19 ? 281 HIS A C 1 O78126 UNP 281 H +ATOM 2268 C CB . HIS A 1 281 ? -10.295 -5.613 23.449 1.0 97.19 ? 281 HIS A CB 1 O78126 UNP 281 H +ATOM 2269 O O . HIS A 1 281 ? -10.627 -4.749 20.486 1.0 97.19 ? 281 HIS A O 1 O78126 UNP 281 H +ATOM 2270 C CG . HIS A 1 281 ? -10.756 -6.142 24.779 1.0 97.19 ? 281 HIS A CG 1 O78126 UNP 281 H +ATOM 2271 C CD2 . HIS A 1 281 ? -11.686 -7.126 24.989 1.0 97.19 ? 281 HIS A CD2 1 O78126 UNP 281 H +ATOM 2272 N ND1 . HIS A 1 281 ? -10.376 -5.672 26.014 1.0 97.19 ? 281 HIS A ND1 1 O78126 UNP 281 H +ATOM 2273 C CE1 . HIS A 1 281 ? -11.061 -6.355 26.944 1.0 97.19 ? 281 HIS A CE1 1 O78126 UNP 281 H +ATOM 2274 N NE2 . HIS A 1 281 ? -11.906 -7.223 26.366 1.0 97.19 ? 281 HIS A NE2 1 O78126 UNP 281 H +ATOM 2275 N N . VAL A 1 282 ? -10.544 -2.769 21.556 1.0 97.62 ? 282 VAL A N 1 O78126 UNP 282 V +ATOM 2276 C CA . VAL A 1 282 ? -10.045 -1.980 20.425 1.0 97.62 ? 282 VAL A CA 1 O78126 UNP 282 V +ATOM 2277 C C . VAL A 1 282 ? -8.716 -1.350 20.813 1.0 97.62 ? 282 VAL A C 1 O78126 UNP 282 V +ATOM 2278 C CB . VAL A 1 282 ? -11.067 -0.920 19.971 1.0 97.62 ? 282 VAL A CB 1 O78126 UNP 282 V +ATOM 2279 O O . VAL A 1 282 ? -8.645 -0.579 21.774 1.0 97.62 ? 282 VAL A O 1 O78126 UNP 282 V +ATOM 2280 C CG1 . VAL A 1 282 ? -10.587 -0.190 18.710 1.0 97.62 ? 282 VAL A CG1 1 O78126 UNP 282 V +ATOM 2281 C CG2 . VAL A 1 282 ? -12.438 -1.548 19.680 1.0 97.62 ? 282 VAL A CG2 1 O78126 UNP 282 V +ATOM 2282 N N . GLN A 1 283 ? -7.666 -1.677 20.063 1.0 96.81 ? 283 GLN A N 1 O78126 UNP 283 Q +ATOM 2283 C CA . GLN A 1 283 ? -6.335 -1.089 20.202 1.0 96.81 ? 283 GLN A CA 1 O78126 UNP 283 Q +ATOM 2284 C C . GLN A 1 283 ? -5.983 -0.346 18.918 1.0 96.81 ? 283 GLN A C 1 O78126 UNP 283 Q +ATOM 2285 C CB . GLN A 1 283 ? -5.266 -2.144 20.516 1.0 96.81 ? 283 GLN A CB 1 O78126 UNP 283 Q +ATOM 2286 O O . GLN A 1 283 ? -6.127 -0.886 17.823 1.0 96.81 ? 283 GLN A O 1 O78126 UNP 283 Q +ATOM 2287 C CG . GLN A 1 283 ? -5.629 -3.043 21.705 1.0 96.81 ? 283 GLN A CG 1 O78126 UNP 283 Q +ATOM 2288 C CD . GLN A 1 283 ? -4.551 -4.069 22.026 1.0 96.81 ? 283 GLN A CD 1 O78126 UNP 283 Q +ATOM 2289 N NE2 . GLN A 1 283 ? -4.915 -5.216 22.554 1.0 96.81 ? 283 GLN A NE2 1 O78126 UNP 283 Q +ATOM 2290 O OE1 . GLN A 1 283 ? -3.366 -3.862 21.848 1.0 96.81 ? 283 GLN A OE1 1 O78126 UNP 283 Q +ATOM 2291 N N . HIS A 1 284 ? -5.555 0.900 19.073 1.0 95.00 ? 284 HIS A N 1 O78126 UNP 284 H +ATOM 2292 C CA . HIS A 1 284 ? -5.193 1.800 17.990 1.0 95.00 ? 284 HIS A CA 1 O78126 UNP 284 H +ATOM 2293 C C . HIS A 1 284 ? -4.240 2.857 18.552 1.0 95.00 ? 284 HIS A C 1 O78126 UNP 284 H +ATOM 2294 C CB . HIS A 1 284 ? -6.470 2.466 17.464 1.0 95.00 ? 284 HIS A CB 1 O78126 UNP 284 H +ATOM 2295 O O . HIS A 1 284 ? -4.431 3.281 19.692 1.0 95.00 ? 284 HIS A O 1 O78126 UNP 284 H +ATOM 2296 C CG . HIS A 1 284 ? -6.224 3.343 16.275 1.0 95.00 ? 284 HIS A CG 1 O78126 UNP 284 H +ATOM 2297 C CD2 . HIS A 1 284 ? -6.044 2.951 14.976 1.0 95.00 ? 284 HIS A CD2 1 O78126 UNP 284 H +ATOM 2298 N ND1 . HIS A 1 284 ? -6.108 4.711 16.309 1.0 95.00 ? 284 HIS A ND1 1 O78126 UNP 284 H +ATOM 2299 C CE1 . HIS A 1 284 ? -5.858 5.139 15.065 1.0 95.00 ? 284 HIS A CE1 1 O78126 UNP 284 H +ATOM 2300 N NE2 . HIS A 1 284 ? -5.832 4.104 14.223 1.0 95.00 ? 284 HIS A NE2 1 O78126 UNP 284 H +ATOM 2301 N N . GLU A 1 285 ? -3.269 3.324 17.769 1.0 91.12 ? 285 GLU A N 1 O78126 UNP 285 E +ATOM 2302 C CA . GLU A 1 285 ? -2.289 4.331 18.215 1.0 91.12 ? 285 GLU A CA 1 O78126 UNP 285 E +ATOM 2303 C C . GLU A 1 285 ? -2.957 5.637 18.678 1.0 91.12 ? 285 GLU A C 1 O78126 UNP 285 E +ATOM 2304 C CB . GLU A 1 285 ? -1.326 4.594 17.053 1.0 91.12 ? 285 GLU A CB 1 O78126 UNP 285 E +ATOM 2305 O O . GLU A 1 285 ? -2.538 6.260 19.649 1.0 91.12 ? 285 GLU A O 1 O78126 UNP 285 E +ATOM 2306 C CG . GLU A 1 285 ? -0.163 5.513 17.456 1.0 91.12 ? 285 GLU A CG 1 O78126 UNP 285 E +ATOM 2307 C CD . GLU A 1 285 ? 0.776 5.832 16.287 1.0 91.12 ? 285 GLU A CD 1 O78126 UNP 285 E +ATOM 2308 O OE1 . GLU A 1 285 ? 1.686 6.664 16.510 1.0 91.12 ? 285 GLU A OE1 1 O78126 UNP 285 E +ATOM 2309 O OE2 . GLU A 1 285 ? 0.564 5.263 15.197 1.0 91.12 ? 285 GLU A OE2 1 O78126 UNP 285 E +ATOM 2310 N N . GLY A 1 286 ? -4.070 6.011 18.040 1.0 91.75 ? 286 GLY A N 1 O78126 UNP 286 G +ATOM 2311 C CA . GLY A 1 286 ? -4.851 7.201 18.407 1.0 91.75 ? 286 GLY A CA 1 O78126 UNP 286 G +ATOM 2312 C C . GLY A 1 286 ? -5.591 7.089 19.739 1.0 91.75 ? 286 GLY A C 1 O78126 UNP 286 G +ATOM 2313 O O . GLY A 1 286 ? -6.209 8.057 20.178 1.0 91.75 ? 286 GLY A O 1 O78126 UNP 286 G +ATOM 2314 N N . LEU A 1 287 ? -5.573 5.918 20.382 1.0 94.19 ? 287 LEU A N 1 O78126 UNP 287 L +ATOM 2315 C CA . LEU A 1 287 ? -6.172 5.710 21.692 1.0 94.19 ? 287 LEU A CA 1 O78126 UNP 287 L +ATOM 2316 C C . LEU A 1 287 ? -5.081 5.733 22.770 1.0 94.19 ? 287 LEU A C 1 O78126 UNP 287 L +ATOM 2317 C CB . LEU A 1 287 ? -6.950 4.387 21.722 1.0 94.19 ? 287 LEU A CB 1 O78126 UNP 287 L +ATOM 2318 O O . LEU A 1 287 ? -4.183 4.895 22.744 1.0 94.19 ? 287 LEU A O 1 O78126 UNP 287 L +ATOM 2319 C CG . LEU A 1 287 ? -8.162 4.336 20.785 1.0 94.19 ? 287 LEU A CG 1 O78126 UNP 287 L +ATOM 2320 C CD1 . LEU A 1 287 ? -8.703 2.905 20.742 1.0 94.19 ? 287 LEU A CD1 1 O78126 UNP 287 L +ATOM 2321 C CD2 . LEU A 1 287 ? -9.269 5.287 21.249 1.0 94.19 ? 287 LEU A CD2 1 O78126 UNP 287 L +ATOM 2322 N N . PRO A 1 288 ? -5.186 6.598 23.798 1.0 91.56 ? 288 PRO A N 1 O78126 UNP 288 P +ATOM 2323 C CA . PRO A 1 288 ? -4.194 6.635 24.874 1.0 91.56 ? 288 PRO A CA 1 O78126 UNP 288 P +ATOM 2324 C C . PRO A 1 288 ? -4.169 5.337 25.696 1.0 91.56 ? 288 PRO A C 1 O78126 UNP 288 P +ATOM 2325 C CB . PRO A 1 288 ? -4.598 7.837 25.734 1.0 91.56 ? 288 PRO A CB 1 O78126 UNP 288 P +ATOM 2326 O O . PRO A 1 288 ? -3.181 5.035 26.364 1.0 91.56 ? 288 PRO A O 1 O78126 UNP 288 P +ATOM 2327 C CG . PRO A 1 288 ? -6.105 7.965 25.504 1.0 91.56 ? 288 PRO A CG 1 O78126 UNP 288 P +ATOM 2328 C CD . PRO A 1 288 ? -6.259 7.551 24.043 1.0 91.56 ? 288 PRO A CD 1 O78126 UNP 288 P +ATOM 2329 N N . LYS A 1 289 ? -5.280 4.590 25.692 1.0 92.62 ? 289 LYS A N 1 O78126 UNP 289 K +ATOM 2330 C CA . LYS A 1 289 ? -5.427 3.260 26.286 1.0 92.62 ? 289 LYS A CA 1 O78126 UNP 289 K +ATOM 2331 C C . LYS A 1 289 ? -6.390 2.434 25.432 1.0 92.62 ? 289 LYS A C 1 O78126 UNP 289 K +ATOM 2332 C CB . LYS A 1 289 ? -5.974 3.349 27.720 1.0 92.62 ? 289 LYS A CB 1 O78126 UNP 289 K +ATOM 2333 O O . LYS A 1 289 ? -7.322 3.019 24.877 1.0 92.62 ? 289 LYS A O 1 O78126 UNP 289 K +ATOM 2334 C CG . LYS A 1 289 ? -5.003 4.060 28.669 1.0 92.62 ? 289 LYS A CG 1 O78126 UNP 289 K +ATOM 2335 C CD . LYS A 1 289 ? -5.528 4.066 30.103 1.0 92.62 ? 289 LYS A CD 1 O78126 UNP 289 K +ATOM 2336 C CE . LYS A 1 289 ? -4.531 4.844 30.965 1.0 92.62 ? 289 LYS A CE 1 O78126 UNP 289 K +ATOM 2337 N NZ . LYS A 1 289 ? -5.010 4.966 32.363 1.0 92.62 ? 289 LYS A NZ 1 O78126 UNP 289 K +ATOM 2338 N N . PRO A 1 290 ? -6.234 1.100 25.386 1.0 94.69 ? 290 PRO A N 1 O78126 UNP 290 P +ATOM 2339 C CA . PRO A 1 290 ? -7.205 0.219 24.748 1.0 94.69 ? 290 PRO A CA 1 O78126 UNP 290 P +ATOM 2340 C C . PRO A 1 290 ? -8.632 0.488 25.233 1.0 94.69 ? 290 PRO A C 1 O78126 UNP 290 P +ATOM 2341 C CB . PRO A 1 290 ? -6.760 -1.200 25.110 1.0 94.69 ? 290 PRO A CB 1 O78126 UNP 290 P +ATOM 2342 O O . PRO A 1 290 ? -8.871 0.615 26.438 1.0 94.69 ? 290 PRO A O 1 O78126 UNP 290 P +ATOM 2343 C CG . PRO A 1 290 ? -5.248 -1.054 25.280 1.0 94.69 ? 290 PRO A CG 1 O78126 UNP 290 P +ATOM 2344 C CD . PRO A 1 290 ? -5.121 0.326 25.920 1.0 94.69 ? 290 PRO A CD 1 O78126 UNP 290 P +ATOM 2345 N N . LEU A 1 291 ? -9.582 0.550 24.302 1.0 95.88 ? 291 LEU A N 1 O78126 UNP 291 L +ATOM 2346 C CA . LEU A 1 291 ? -11.000 0.654 24.637 1.0 95.88 ? 291 LEU A CA 1 O78126 UNP 291 L +ATOM 2347 C C . LEU A 1 291 ? -11.578 -0.739 24.859 1.0 95.88 ? 291 LEU A C 1 O78126 UNP 291 L +ATOM 2348 C CB . LEU A 1 291 ? -11.774 1.418 23.552 1.0 95.88 ? 291 LEU A CB 1 O78126 UNP 291 L +ATOM 2349 O O . LEU A 1 291 ? -11.242 -1.681 24.147 1.0 95.88 ? 291 LEU A O 1 O78126 UNP 291 L +ATOM 2350 C CG . LEU A 1 291 ? -11.415 2.907 23.430 1.0 95.88 ? 291 LEU A CG 1 O78126 UNP 291 L +ATOM 2351 C CD1 . LEU A 1 291 ? -12.193 3.503 22.256 1.0 95.88 ? 291 LEU A CD1 1 O78126 UNP 291 L +ATOM 2352 C CD2 . LEU A 1 291 ? -11.756 3.707 24.689 1.0 95.88 ? 291 LEU A CD2 1 O78126 UNP 291 L +ATOM 2353 N N . THR A 1 292 ? -12.465 -0.857 25.843 1.0 96.62 ? 292 THR A N 1 O78126 UNP 292 T +ATOM 2354 C CA . THR A 1 292 ? -13.263 -2.061 26.087 1.0 96.62 ? 292 THR A CA 1 O78126 UNP 292 T +ATOM 2355 C C . THR A 1 292 ? -14.730 -1.676 26.001 1.0 96.62 ? 292 THR A C 1 O78126 UNP 292 T +ATOM 2356 C CB . THR A 1 292 ? -12.942 -2.687 27.446 1.0 96.62 ? 292 THR A CB 1 O78126 UNP 292 T +ATOM 2357 O O . THR A 1 292 ? -15.200 -0.838 26.768 1.0 96.62 ? 292 THR A O 1 O78126 UNP 292 T +ATOM 2358 C CG2 . THR A 1 292 ? -13.689 -4.002 27.664 1.0 96.62 ? 292 THR A CG2 1 O78126 UNP 292 T +ATOM 2359 O OG1 . THR A 1 292 ? -11.562 -2.967 27.511 1.0 96.62 ? 292 THR A OG1 1 O78126 UNP 292 T +ATOM 2360 N N . LEU A 1 293 ? -15.437 -2.268 25.049 1.0 95.44 ? 293 LEU A N 1 O78126 UNP 293 L +ATOM 2361 C CA . LEU A 1 293 ? -16.834 -1.992 24.750 1.0 95.44 ? 293 LEU A CA 1 O78126 UNP 293 L +ATOM 2362 C C . LEU A 1 293 ? -17.680 -3.180 25.195 1.0 95.44 ? 293 LEU A C 1 O78126 UNP 293 L +ATOM 2363 C CB . LEU A 1 293 ? -16.979 -1.728 23.245 1.0 95.44 ? 293 LEU A CB 1 O78126 UNP 293 L +ATOM 2364 O O . LEU A 1 293 ? -17.328 -4.335 24.940 1.0 95.44 ? 293 LEU A O 1 O78126 UNP 293 L +ATOM 2365 C CG . LEU A 1 293 ? -16.217 -0.491 22.747 1.0 95.44 ? 293 LEU A CG 1 O78126 UNP 293 L +ATOM 2366 C CD1 . LEU A 1 293 ? -16.011 -0.603 21.243 1.0 95.44 ? 293 LEU A CD1 1 O78126 UNP 293 L +ATOM 2367 C CD2 . LEU A 1 293 ? -16.962 0.804 23.066 1.0 95.44 ? 293 LEU A CD2 1 O78126 UNP 293 L +ATOM 2368 N N . ARG A 1 294 ? -18.810 -2.884 25.828 1.0 93.81 ? 294 ARG A N 1 O78126 UNP 294 R +ATOM 2369 C CA . ARG A 1 294 ? -19.878 -3.843 26.116 1.0 93.81 ? 294 ARG A CA 1 O78126 UNP 294 R +ATOM 2370 C C . ARG A 1 294 ? -21.131 -3.408 25.392 1.0 93.81 ? 294 ARG A C 1 O78126 UNP 294 R +ATOM 2371 C CB . ARG A 1 294 ? -20.137 -3.953 27.623 1.0 93.81 ? 294 ARG A CB 1 O78126 UNP 294 R +ATOM 2372 O O . ARG A 1 294 ? -21.326 -2.219 25.143 1.0 93.81 ? 294 ARG A O 1 O78126 UNP 294 R +ATOM 2373 C CG . ARG A 1 294 ? -19.010 -4.743 28.278 1.0 93.81 ? 294 ARG A CG 1 O78126 UNP 294 R +ATOM 2374 C CD . ARG A 1 294 ? -19.275 -4.970 29.763 1.0 93.81 ? 294 ARG A CD 1 O78126 UNP 294 R +ATOM 2375 N NE . ARG A 1 294 ? -18.186 -5.761 30.363 1.0 93.81 ? 294 ARG A NE 1 O78126 UNP 294 R +ATOM 2376 N NH1 . ARG A 1 294 ? -18.435 -5.046 32.522 1.0 93.81 ? 294 ARG A NH1 1 O78126 UNP 294 R +ATOM 2377 N NH2 . ARG A 1 294 ? -16.831 -6.523 32.018 1.0 93.81 ? 294 ARG A NH2 1 O78126 UNP 294 R +ATOM 2378 C CZ . ARG A 1 294 ? -17.822 -5.772 31.628 1.0 93.81 ? 294 ARG A CZ 1 O78126 UNP 294 R +ATOM 2379 N N . TRP A 1 295 ? -21.969 -4.377 25.051 1.0 91.88 ? 295 TRP A N 1 O78126 UNP 295 W +ATOM 2380 C CA . TRP A 1 295 ? -23.248 -4.061 24.447 1.0 91.88 ? 295 TRP A CA 1 O78126 UNP 295 W +ATOM 2381 C C . TRP A 1 295 ? -24.161 -3.447 25.507 1.0 91.88 ? 295 TRP A C 1 O78126 UNP 295 W +ATOM 2382 C CB . TRP A 1 295 ? -23.846 -5.311 23.807 1.0 91.88 ? 295 TRP A CB 1 O78126 UNP 295 W +ATOM 2383 O O . TRP A 1 295 ? -24.384 -4.047 26.553 1.0 91.88 ? 295 TRP A O 1 O78126 UNP 295 W +ATOM 2384 C CG . TRP A 1 295 ? -25.219 -5.080 23.274 1.0 91.88 ? 295 TRP A CG 1 O78126 UNP 295 W +ATOM 2385 C CD1 . TRP A 1 295 ? -25.531 -4.354 22.178 1.0 91.88 ? 295 TRP A CD1 1 O78126 UNP 295 W +ATOM 2386 C CD2 . TRP A 1 295 ? -26.486 -5.497 23.858 1.0 91.88 ? 295 TRP A CD2 1 O78126 UNP 295 W +ATOM 2387 C CE2 . TRP A 1 295 ? -27.542 -5.018 23.030 1.0 91.88 ? 295 TRP A CE2 1 O78126 UNP 295 W +ATOM 2388 C CE3 . TRP A 1 295 ? -26.845 -6.236 25.004 1.0 91.88 ? 295 TRP A CE3 1 O78126 UNP 295 W +ATOM 2389 N NE1 . TRP A 1 295 ? -26.904 -4.290 22.050 1.0 91.88 ? 295 TRP A NE1 1 O78126 UNP 295 W +ATOM 2390 C CH2 . TRP A 1 295 ? -29.211 -6.082 24.415 1.0 91.88 ? 295 TRP A CH2 1 O78126 UNP 295 W +ATOM 2391 C CZ2 . TRP A 1 295 ? -28.888 -5.300 23.293 1.0 91.88 ? 295 TRP A CZ2 1 O78126 UNP 295 W +ATOM 2392 C CZ3 . TRP A 1 295 ? -28.193 -6.539 25.272 1.0 91.88 ? 295 TRP A CZ3 1 O78126 UNP 295 W +ATOM 2393 N N . GLU A 1 296 ? -24.700 -2.264 25.238 1.0 84.19 ? 296 GLU A N 1 O78126 UNP 296 E +ATOM 2394 C CA . GLU A 1 296 ? -25.754 -1.664 26.052 1.0 84.19 ? 296 GLU A CA 1 O78126 UNP 296 E +ATOM 2395 C C . GLU A 1 296 ? -27.067 -1.710 25.258 1.0 84.19 ? 296 GLU A C 1 O78126 UNP 296 E +ATOM 2396 C CB . GLU A 1 296 ? -25.382 -0.238 26.485 1.0 84.19 ? 296 GLU A CB 1 O78126 UNP 296 E +ATOM 2397 O O . GLU A 1 296 ? -27.105 -1.232 24.117 1.0 84.19 ? 296 GLU A O 1 O78126 UNP 296 E +ATOM 2398 C CG . GLU A 1 296 ? -24.350 -0.262 27.627 1.0 84.19 ? 296 GLU A CG 1 O78126 UNP 296 E +ATOM 2399 C CD . GLU A 1 296 ? -23.934 1.134 28.120 1.0 84.19 ? 296 GLU A CD 1 O78126 UNP 296 E +ATOM 2400 O OE1 . GLU A 1 296 ? -23.132 1.179 29.082 1.0 84.19 ? 296 GLU A OE1 1 O78126 UNP 296 E +ATOM 2401 O OE2 . GLU A 1 296 ? -24.413 2.144 27.554 1.0 84.19 ? 296 GLU A OE2 1 O78126 UNP 296 E +ATOM 2402 N N . PRO A 1 297 ? -28.153 -2.274 25.820 1.0 77.81 ? 297 PRO A N 1 O78126 UNP 297 P +ATOM 2403 C CA . PRO A 1 297 ? -29.468 -2.180 25.204 1.0 77.81 ? 297 PRO A CA 1 O78126 UNP 297 P +ATOM 2404 C C . PRO A 1 297 ? -29.817 -0.702 25.040 1.0 77.81 ? 297 PRO A C 1 O78126 UNP 297 P +ATOM 2405 C CB . PRO A 1 297 ? -30.448 -2.891 26.148 1.0 77.81 ? 297 PRO A CB 1 O78126 UNP 297 P +ATOM 2406 O O . PRO A 1 297 ? -29.788 0.045 26.019 1.0 77.81 ? 297 PRO A O 1 O78126 UNP 297 P +ATOM 2407 C CG . PRO A 1 297 ? -29.572 -3.652 27.143 1.0 77.81 ? 297 PRO A CG 1 O78126 UNP 297 P +ATOM 2408 C CD . PRO A 1 297 ? -28.225 -2.940 27.108 1.0 77.81 ? 297 PRO A CD 1 O78126 UNP 297 P +ATOM 2409 N N . SER A 1 298 ? -30.146 -0.259 23.821 1.0 60.97 ? 298 SER A N 1 O78126 UNP 298 S +ATOM 2410 C CA . SER A 1 298 ? -30.519 1.137 23.608 1.0 60.97 ? 298 SER A CA 1 O78126 UNP 298 S +ATOM 2411 C C . SER A 1 298 ? -31.720 1.472 24.490 1.0 60.97 ? 298 SER A C 1 O78126 UNP 298 S +ATOM 2412 C CB . SER A 1 298 ? -30.823 1.443 22.134 1.0 60.97 ? 298 SER A CB 1 O78126 UNP 298 S +ATOM 2413 O O . SER A 1 298 ? -32.829 0.986 24.252 1.0 60.97 ? 298 SER A O 1 O78126 UNP 298 S +ATOM 2414 O OG . SER A 1 298 ? -31.991 0.781 21.689 1.0 60.97 ? 298 SER A OG 1 O78126 UNP 298 S +ATOM 2415 N N . SER A 1 299 ? -31.522 2.326 25.486 1.0 46.59 ? 299 SER A N 1 O78126 UNP 299 S +ATOM 2416 C CA . SER A 1 299 ? -32.599 2.961 26.228 1.0 46.59 ? 299 SER A CA 1 O78126 UNP 299 S +ATOM 2417 C C . SER A 1 299 ? -33.208 4.049 25.346 1.0 46.59 ? 299 SER A C 1 O78126 UNP 299 S +ATOM 2418 C CB . SER A 1 299 ? -32.078 3.481 27.575 1.0 46.59 ? 299 SER A CB 1 O78126 UNP 299 S +ATOM 2419 O O . SER A 1 299 ? -33.064 5.239 25.603 1.0 46.59 ? 299 SER A O 1 O78126 UNP 299 S +ATOM 2420 O OG . SER A 1 299 ? -30.890 4.234 27.399 1.0 46.59 ? 299 SER A OG 1 O78126 UNP 299 S +ATOM 2421 N N . GLN A 1 300 ? -33.897 3.663 24.266 1.0 44.81 ? 300 GLN A N 1 O78126 UNP 300 Q +ATOM 2422 C CA . GLN A 1 300 ? -34.901 4.572 23.728 1.0 44.81 ? 300 GLN A CA 1 O78126 UNP 300 Q +ATOM 2423 C C . GLN A 1 300 ? -35.919 4.761 24.853 1.0 44.81 ? 300 GLN A C 1 O78126 UNP 300 Q +ATOM 2424 C CB . GLN A 1 300 ? -35.565 4.031 22.453 1.0 44.81 ? 300 GLN A CB 1 O78126 UNP 300 Q +ATOM 2425 O O . GLN A 1 300 ? -36.534 3.773 25.266 1.0 44.81 ? 300 GLN A O 1 O78126 UNP 300 Q +ATOM 2426 C CG . GLN A 1 300 ? -34.727 4.351 21.205 1.0 44.81 ? 300 GLN A CG 1 O78126 UNP 300 Q +ATOM 2427 C CD . GLN A 1 300 ? -35.459 4.036 19.903 1.0 44.81 ? 300 GLN A CD 1 O78126 UNP 300 Q +ATOM 2428 N NE2 . GLN A 1 300 ? -35.095 4.667 18.808 1.0 44.81 ? 300 GLN A NE2 1 O78126 UNP 300 Q +ATOM 2429 O OE1 . GLN A 1 300 ? -36.372 3.234 19.829 1.0 44.81 ? 300 GLN A OE1 1 O78126 UNP 300 Q +ATOM 2430 N N . PRO A 1 301 ? -36.090 5.976 25.408 1.0 42.41 ? 301 PRO A N 1 O78126 UNP 301 P +ATOM 2431 C CA . PRO A 1 301 ? -37.201 6.200 26.301 1.0 42.41 ? 301 PRO A CA 1 O78126 UNP 301 P +ATOM 2432 C C . PRO A 1 301 ? -38.439 5.934 25.459 1.0 42.41 ? 301 PRO A C 1 O78126 UNP 301 P +ATOM 2433 C CB . PRO A 1 301 ? -37.078 7.646 26.791 1.0 42.41 ? 301 PRO A CB 1 O78126 UNP 301 P +ATOM 2434 O O . PRO A 1 301 ? -38.703 6.642 24.485 1.0 42.41 ? 301 PRO A O 1 O78126 UNP 301 P +ATOM 2435 C CG . PRO A 1 301 ? -36.279 8.341 25.689 1.0 42.41 ? 301 PRO A CG 1 O78126 UNP 301 P +ATOM 2436 C CD . PRO A 1 301 ? -35.421 7.230 25.087 1.0 42.41 ? 301 PRO A CD 1 O78126 UNP 301 P +ATOM 2437 N N . THR A 1 302 ? -39.182 4.888 25.806 1.0 51.50 ? 302 THR A N 1 O78126 UNP 302 T +ATOM 2438 C CA . THR A 1 302 ? -40.547 4.715 25.337 1.0 51.50 ? 302 THR A CA 1 O78126 UNP 302 T +ATOM 2439 C C . THR A 1 302 ? -41.303 5.911 25.894 1.0 51.50 ? 302 THR A C 1 O78126 UNP 302 T +ATOM 2440 C CB . THR A 1 302 ? -41.160 3.380 25.811 1.0 51.50 ? 302 THR A CB 1 O78126 UNP 302 T +ATOM 2441 O O . THR A 1 302 ? -41.820 5.869 27.008 1.0 51.50 ? 302 THR A O 1 O78126 UNP 302 T +ATOM 2442 C CG2 . THR A 1 302 ? -42.269 2.915 24.868 1.0 51.50 ? 302 THR A CG2 1 O78126 UNP 302 T +ATOM 2443 O OG1 . THR A 1 302 ? -40.185 2.366 25.837 1.0 51.50 ? 302 THR A OG1 1 O78126 UNP 302 T +ATOM 2444 N N . ILE A 1 303 ? -41.285 7.034 25.170 1.0 55.16 ? 303 ILE A N 1 O78126 UNP 303 I +ATOM 2445 C CA . ILE A 1 303 ? -42.148 8.170 25.459 1.0 55.16 ? 303 ILE A CA 1 O78126 UNP 303 I +ATOM 2446 C C . ILE A 1 303 ? -43.537 7.539 25.558 1.0 55.16 ? 303 ILE A C 1 O78126 UNP 303 I +ATOM 2447 C CB . ILE A 1 303 ? -42.065 9.244 24.349 1.0 55.16 ? 303 ILE A CB 1 O78126 UNP 303 I +ATOM 2448 O O . ILE A 1 303 ? -43.945 6.868 24.605 1.0 55.16 ? 303 ILE A O 1 O78126 UNP 303 I +ATOM 2449 C CG1 . ILE A 1 303 ? -40.640 9.843 24.288 1.0 55.16 ? 303 ILE A CG1 1 O78126 UNP 303 I +ATOM 2450 C CG2 . ILE A 1 303 ? -43.115 10.345 24.598 1.0 55.16 ? 303 ILE A CG2 1 O78126 UNP 303 I +ATOM 2451 C CD1 . ILE A 1 303 ? -40.418 10.835 23.139 1.0 55.16 ? 303 ILE A CD1 1 O78126 UNP 303 I +ATOM 2452 N N . PRO A 1 304 ? -44.239 7.638 26.701 1.0 56.25 ? 304 PRO A N 1 O78126 UNP 304 P +ATOM 2453 C CA . PRO A 1 304 ? -45.512 6.969 26.880 1.0 56.25 ? 304 PRO A CA 1 O78126 UNP 304 P +ATOM 2454 C C . PRO A 1 304 ? -46.538 7.752 26.066 1.0 56.25 ? 304 PRO A C 1 O78126 UNP 304 P +ATOM 2455 C CB . PRO A 1 304 ? -45.756 6.945 28.392 1.0 56.25 ? 304 PRO A CB 1 O78126 UNP 304 P +ATOM 2456 O O . PRO A 1 304 ? -47.300 8.559 26.594 1.0 56.25 ? 304 PRO A O 1 O78126 UNP 304 P +ATOM 2457 C CG . PRO A 1 304 ? -45.041 8.207 28.875 1.0 56.25 ? 304 PRO A CG 1 O78126 UNP 304 P +ATOM 2458 C CD . PRO A 1 304 ? -43.857 8.340 27.916 1.0 56.25 ? 304 PRO A CD 1 O78126 UNP 304 P +ATOM 2459 N N . ILE A 1 305 ? -46.538 7.530 24.752 1.0 60.59 ? 305 ILE A N 1 O78126 UNP 305 I +ATOM 2460 C CA . ILE A 1 305 ? -47.449 8.149 23.790 1.0 60.59 ? 305 ILE A CA 1 O78126 UNP 305 I +ATOM 2461 C C . ILE A 1 305 ? -48.893 7.891 24.246 1.0 60.59 ? 305 ILE A C 1 O78126 UNP 305 I +ATOM 2462 C CB . ILE A 1 305 ? -47.132 7.607 22.372 1.0 60.59 ? 305 ILE A CB 1 O78126 UNP 305 I +ATOM 2463 O O . ILE A 1 305 ? -49.730 8.784 24.184 1.0 60.59 ? 305 ILE A O 1 O78126 UNP 305 I +ATOM 2464 C CG1 . ILE A 1 305 ? -45.750 8.109 21.882 1.0 60.59 ? 305 ILE A CG1 1 O78126 UNP 305 I +ATOM 2465 C CG2 . ILE A 1 305 ? -48.216 8.023 21.366 1.0 60.59 ? 305 ILE A CG2 1 O78126 UNP 305 I +ATOM 2466 C CD1 . ILE A 1 305 ? -45.203 7.355 20.662 1.0 60.59 ? 305 ILE A CD1 1 O78126 UNP 305 I +ATOM 2467 N N . VAL A 1 306 ? -49.153 6.724 24.847 1.0 62.22 ? 306 VAL A N 1 O78126 UNP 306 V +ATOM 2468 C CA . VAL A 1 306 ? -50.441 6.374 25.463 1.0 62.22 ? 306 VAL A CA 1 O78126 UNP 306 V +ATOM 2469 C C . VAL A 1 306 ? -50.803 7.296 26.637 1.0 62.22 ? 306 VAL A C 1 O78126 UNP 306 V +ATOM 2470 C CB . VAL A 1 306 ? -50.432 4.898 25.914 1.0 62.22 ? 306 VAL A CB 1 O78126 UNP 306 V +ATOM 2471 O O . VAL A 1 306 ? -51.949 7.726 26.736 1.0 62.22 ? 306 VAL A O 1 O78126 UNP 306 V +ATOM 2472 C CG1 . VAL A 1 306 ? -51.792 4.470 26.478 1.0 62.22 ? 306 VAL A CG1 1 O78126 UNP 306 V +ATOM 2473 C CG2 . VAL A 1 306 ? -50.092 3.958 24.748 1.0 62.22 ? 306 VAL A CG2 1 O78126 UNP 306 V +ATOM 2474 N N . GLY A 1 307 ? -49.844 7.652 27.498 1.0 66.69 ? 307 GLY A N 1 O78126 UNP 307 G +ATOM 2475 C CA . GLY A 1 307 ? -50.072 8.553 28.635 1.0 66.69 ? 307 GLY A CA 1 O78126 UNP 307 G +ATOM 2476 C C . GLY A 1 307 ? -50.355 9.993 28.203 1.0 66.69 ? 307 GLY A C 1 O78126 UNP 307 G +ATOM 2477 O O . GLY A 1 307 ? -51.234 10.646 28.763 1.0 66.69 ? 307 GLY A O 1 O78126 UNP 307 G +ATOM 2478 N N . ILE A 1 308 ? -49.672 10.464 27.154 1.0 72.06 ? 308 ILE A N 1 O78126 UNP 308 I +ATOM 2479 C CA . ILE A 1 308 ? -49.901 11.794 26.570 1.0 72.06 ? 308 ILE A CA 1 O78126 UNP 308 I +ATOM 2480 C C . ILE A 1 308 ? -51.271 11.849 25.879 1.0 72.06 ? 308 ILE A C 1 O78126 UNP 308 I +ATOM 2481 C CB . ILE A 1 308 ? -48.741 12.175 25.619 1.0 72.06 ? 308 ILE A CB 1 O78126 UNP 308 I +ATOM 2482 O O . ILE A 1 308 ? -52.017 12.805 26.085 1.0 72.06 ? 308 ILE A O 1 O78126 UNP 308 I +ATOM 2483 C CG1 . ILE A 1 308 ? -47.410 12.249 26.408 1.0 72.06 ? 308 ILE A CG1 1 O78126 UNP 308 I +ATOM 2484 C CG2 . ILE A 1 308 ? -49.027 13.517 24.917 1.0 72.06 ? 308 ILE A CG2 1 O78126 UNP 308 I +ATOM 2485 C CD1 . ILE A 1 308 ? -46.169 12.467 25.534 1.0 72.06 ? 308 ILE A CD1 1 O78126 UNP 308 I +ATOM 2486 N N . ILE A 1 309 ? -51.643 10.814 25.116 1.0 72.75 ? 309 ILE A N 1 O78126 UNP 309 I +ATOM 2487 C CA . ILE A 1 309 ? -52.958 10.734 24.461 1.0 72.75 ? 309 ILE A CA 1 O78126 UNP 309 I +ATOM 2488 C C . ILE A 1 309 ? -54.080 10.679 25.505 1.0 72.75 ? 309 ILE A C 1 O78126 UNP 309 I +ATOM 2489 C CB . ILE A 1 309 ? -53.011 9.543 23.476 1.0 72.75 ? 309 ILE A CB 1 O78126 UNP 309 I +ATOM 2490 O O . ILE A 1 309 ? -55.036 11.445 25.403 1.0 72.75 ? 309 ILE A O 1 O78126 UNP 309 I +ATOM 2491 C CG1 . ILE A 1 309 ? -52.078 9.807 22.271 1.0 72.75 ? 309 ILE A CG1 1 O78126 UNP 309 I +ATOM 2492 C CG2 . ILE A 1 309 ? -54.448 9.304 22.965 1.0 72.75 ? 309 ILE A CG2 1 O78126 UNP 309 I +ATOM 2493 C CD1 . ILE A 1 309 ? -51.848 8.571 21.391 1.0 72.75 ? 309 ILE A CD1 1 O78126 UNP 309 I +ATOM 2494 N N . ALA A 1 310 ? -53.958 9.837 26.537 1.0 74.69 ? 310 ALA A N 1 O78126 UNP 310 A +ATOM 2495 C CA . ALA A 1 310 ? -54.949 9.764 27.612 1.0 74.69 ? 310 ALA A CA 1 O78126 UNP 310 A +ATOM 2496 C C . ALA A 1 310 ? -55.089 11.105 28.353 1.0 74.69 ? 310 ALA A C 1 O78126 UNP 310 A +ATOM 2497 C CB . ALA A 1 310 ? -54.553 8.630 28.565 1.0 74.69 ? 310 ALA A CB 1 O78126 UNP 310 A +ATOM 2498 O O . ALA A 1 310 ? -56.207 11.554 28.615 1.0 74.69 ? 310 ALA A O 1 O78126 UNP 310 A +ATOM 2499 N N . GLY A 1 311 ? -53.965 11.780 28.625 1.0 79.25 ? 311 GLY A N 1 O78126 UNP 311 G +ATOM 2500 C CA . GLY A 1 311 ? -53.947 13.113 29.224 1.0 79.25 ? 311 GLY A CA 1 O78126 UNP 311 G +ATOM 2501 C C . GLY A 1 311 ? -54.654 14.160 28.360 1.0 79.25 ? 311 GLY A C 1 O78126 UNP 311 G +ATOM 2502 O O . GLY A 1 311 ? -55.498 14.895 28.868 1.0 79.25 ? 311 GLY A O 1 O78126 UNP 311 G +ATOM 2503 N N . LEU A 1 312 ? -54.378 14.194 27.052 1.0 83.69 ? 312 LEU A N 1 O78126 UNP 312 L +ATOM 2504 C CA . LEU A 1 312 ? -55.008 15.128 26.110 1.0 83.69 ? 312 LEU A CA 1 O78126 UNP 312 L +ATOM 2505 C C . LEU A 1 312 ? -56.511 14.876 25.941 1.0 83.69 ? 312 LEU A C 1 O78126 UNP 312 L +ATOM 2506 C CB . LEU A 1 312 ? -54.299 15.037 24.747 1.0 83.69 ? 312 LEU A CB 1 O78126 UNP 312 L +ATOM 2507 O O . LEU A 1 312 ? -57.282 15.833 25.879 1.0 83.69 ? 312 LEU A O 1 O78126 UNP 312 L +ATOM 2508 C CG . LEU A 1 312 ? -52.910 15.698 24.705 1.0 83.69 ? 312 LEU A CG 1 O78126 UNP 312 L +ATOM 2509 C CD1 . LEU A 1 312 ? -52.213 15.329 23.395 1.0 83.69 ? 312 LEU A CD1 1 O78126 UNP 312 L +ATOM 2510 C CD2 . LEU A 1 312 ? -53.000 17.225 24.782 1.0 83.69 ? 312 LEU A CD2 1 O78126 UNP 312 L +ATOM 2511 N N . VAL A 1 313 ? -56.944 13.612 25.910 1.0 81.81 ? 313 VAL A N 1 O78126 UNP 313 V +ATOM 2512 C CA . VAL A 1 313 ? -58.371 13.252 25.831 1.0 81.81 ? 313 VAL A CA 1 O78126 UNP 313 V +ATOM 2513 C C . VAL A 1 313 ? -59.112 13.694 27.092 1.0 81.81 ? 313 VAL A C 1 O78126 UNP 313 V +ATOM 2514 C CB . VAL A 1 313 ? -58.542 11.741 25.575 1.0 81.81 ? 313 VAL A CB 1 O78126 UNP 313 V +ATOM 2515 O O . VAL A 1 313 ? -60.175 14.308 26.992 1.0 81.81 ? 313 VAL A O 1 O78126 UNP 313 V +ATOM 2516 C CG1 . VAL A 1 313 ? -60.002 11.282 25.697 1.0 81.81 ? 313 VAL A CG1 1 O78126 UNP 313 V +ATOM 2517 C CG2 . VAL A 1 313 ? -58.077 11.380 24.157 1.0 81.81 ? 313 VAL A CG2 1 O78126 UNP 313 V +ATOM 2518 N N . LEU A 1 314 ? -58.538 13.451 28.275 1.0 79.94 ? 314 LEU A N 1 O78126 UNP 314 L +ATOM 2519 C CA . LEU A 1 314 ? -59.115 13.907 29.543 1.0 79.94 ? 314 LEU A CA 1 O78126 UNP 314 L +ATOM 2520 C C . LEU A 1 314 ? -59.184 15.435 29.611 1.0 79.94 ? 314 LEU A C 1 O78126 UNP 314 L +ATOM 2521 C CB . LEU A 1 314 ? -58.290 13.343 30.713 1.0 79.94 ? 314 LEU A CB 1 O78126 UNP 314 L +ATOM 2522 O O . LEU A 1 314 ? -60.223 15.987 29.973 1.0 79.94 ? 314 LEU A O 1 O78126 UNP 314 L +ATOM 2523 C CG . LEU A 1 314 ? -58.568 11.859 31.006 1.0 79.94 ? 314 LEU A CG 1 O78126 UNP 314 L +ATOM 2524 C CD1 . LEU A 1 314 ? -57.501 11.315 31.955 1.0 79.94 ? 314 LEU A CD1 1 O78126 UNP 314 L +ATOM 2525 C CD2 . LEU A 1 314 ? -59.936 11.662 31.667 1.0 79.94 ? 314 LEU A CD2 1 O78126 UNP 314 L +ATOM 2526 N N . PHE A 1 315 ? -58.117 16.127 29.211 1.0 79.19 ? 315 PHE A N 1 O78126 UNP 315 F +ATOM 2527 C CA . PHE A 1 315 ? -58.089 17.589 29.203 1.0 79.19 ? 315 PHE A CA 1 O78126 UNP 315 F +ATOM 2528 C C . PHE A 1 315 ? -59.118 18.169 28.221 1.0 79.19 ? 315 PHE A C 1 O78126 UNP 315 F +ATOM 2529 C CB . PHE A 1 315 ? -56.666 18.068 28.886 1.0 79.19 ? 315 PHE A CB 1 O78126 UNP 315 F +ATOM 2530 O O . PHE A 1 315 ? -59.852 19.099 28.559 1.0 79.19 ? 315 PHE A O 1 O78126 UNP 315 F +ATOM 2531 C CG . PHE A 1 315 ? -56.279 19.307 29.658 1.0 79.19 ? 315 PHE A CG 1 O78126 UNP 315 F +ATOM 2532 C CD1 . PHE A 1 315 ? -56.458 20.586 29.102 1.0 79.19 ? 315 PHE A CD1 1 O78126 UNP 315 F +ATOM 2533 C CD2 . PHE A 1 315 ? -55.738 19.171 30.950 1.0 79.19 ? 315 PHE A CD2 1 O78126 UNP 315 F +ATOM 2534 C CE1 . PHE A 1 315 ? -56.084 21.726 29.836 1.0 79.19 ? 315 PHE A CE1 1 O78126 UNP 315 F +ATOM 2535 C CE2 . PHE A 1 315 ? -55.369 20.311 31.684 1.0 79.19 ? 315 PHE A CE2 1 O78126 UNP 315 F +ATOM 2536 C CZ . PHE A 1 315 ? -55.541 21.588 31.125 1.0 79.19 ? 315 PHE A CZ 1 O78126 UNP 315 F +ATOM 2537 N N . GLY A 1 316 ? -59.234 17.568 27.033 1.0 79.31 ? 316 GLY A N 1 O78126 UNP 316 G +ATOM 2538 C CA . GLY A 1 316 ? -60.242 17.919 26.036 1.0 79.31 ? 316 GLY A CA 1 O78126 UNP 316 G +ATOM 2539 C C . GLY A 1 316 ? -61.668 17.748 26.560 1.0 79.31 ? 316 GLY A C 1 O78126 UNP 316 G +ATOM 2540 O O . GLY A 1 316 ? -62.481 18.662 26.403 1.0 79.31 ? 316 GLY A O 1 O78126 UNP 316 G +ATOM 2541 N N . ALA A 1 317 ? -61.956 16.632 27.240 1.0 79.88 ? 317 ALA A N 1 O78126 UNP 317 A +ATOM 2542 C CA . ALA A 1 317 ? -63.260 16.346 27.843 1.0 79.88 ? 317 ALA A CA 1 O78126 UNP 317 A +ATOM 2543 C C . ALA A 1 317 ? -63.622 17.329 28.971 1.0 79.88 ? 317 ALA A C 1 O78126 UNP 317 A +ATOM 2544 C CB . ALA A 1 317 ? -63.256 14.897 28.345 1.0 79.88 ? 317 ALA A CB 1 O78126 UNP 317 A +ATOM 2545 O O . ALA A 1 317 ? -64.764 17.784 29.055 1.0 79.88 ? 317 ALA A O 1 O78126 UNP 317 A +ATOM 2546 N N . VAL A 1 318 ? -62.653 17.714 29.809 1.0 82.44 ? 318 VAL A N 1 O78126 UNP 318 V +ATOM 2547 C CA . VAL A 1 318 ? -62.856 18.717 30.870 1.0 82.44 ? 318 VAL A CA 1 O78126 UNP 318 V +ATOM 2548 C C . VAL A 1 318 ? -63.170 20.087 30.270 1.0 82.44 ? 318 VAL A C 1 O78126 UNP 318 V +ATOM 2549 C CB . VAL A 1 318 ? -61.633 18.784 31.806 1.0 82.44 ? 318 VAL A CB 1 O78126 UNP 318 V +ATOM 2550 O O . VAL A 1 318 ? -64.112 20.744 30.714 1.0 82.44 ? 318 VAL A O 1 O78126 UNP 318 V +ATOM 2551 C CG1 . VAL A 1 318 ? -61.702 19.946 32.810 1.0 82.44 ? 318 VAL A CG1 1 O78126 UNP 318 V +ATOM 2552 C CG2 . VAL A 1 318 ? -61.526 17.498 32.634 1.0 82.44 ? 318 VAL A CG2 1 O78126 UNP 318 V +ATOM 2553 N N . ILE A 1 319 ? -62.437 20.506 29.232 1.0 79.62 ? 319 ILE A N 1 O78126 UNP 319 I +ATOM 2554 C CA . ILE A 1 319 ? -62.694 21.786 28.559 1.0 79.62 ? 319 ILE A CA 1 O78126 UNP 319 I +ATOM 2555 C C . ILE A 1 319 ? -64.072 21.782 27.892 1.0 79.62 ? 319 ILE A C 1 O78126 UNP 319 I +ATOM 2556 C CB . ILE A 1 319 ? -61.557 22.141 27.573 1.0 79.62 ? 319 ILE A CB 1 O78126 UNP 319 I +ATOM 2557 O O . ILE A 1 319 ? -64.830 22.736 28.064 1.0 79.62 ? 319 ILE A O 1 O78126 UNP 319 I +ATOM 2558 C CG1 . ILE A 1 319 ? -60.285 22.480 28.385 1.0 79.62 ? 319 ILE A CG1 1 O78126 UNP 319 I +ATOM 2559 C CG2 . ILE A 1 319 ? -61.960 23.330 26.674 1.0 79.62 ? 319 ILE A CG2 1 O78126 UNP 319 I +ATOM 2560 C CD1 . ILE A 1 319 ? -59.075 22.898 27.543 1.0 79.62 ? 319 ILE A CD1 1 O78126 UNP 319 I +ATOM 2561 N N . THR A 1 320 ? -64.441 20.713 27.181 1.0 75.62 ? 320 THR A N 1 O78126 UNP 320 T +ATOM 2562 C CA . THR A 1 320 ? -65.782 20.626 26.575 1.0 75.62 ? 320 THR A CA 1 O78126 UNP 320 T +ATOM 2563 C C . THR A 1 320 ? -66.878 20.626 27.636 1.0 75.62 ? 320 THR A C 1 O78126 UNP 320 T +ATOM 2564 C CB . THR A 1 320 ? -65.982 19.427 25.630 1.0 75.62 ? 320 THR A CB 1 O78126 UNP 320 T +ATOM 2565 O O . THR A 1 320 ? -67.850 21.367 27.493 1.0 75.62 ? 320 THR A O 1 O78126 UNP 320 T +ATOM 2566 C CG2 . THR A 1 320 ? -65.914 19.848 24.167 1.0 75.62 ? 320 THR A CG2 1 O78126 UNP 320 T +ATOM 2567 O OG1 . THR A 1 320 ? -65.060 18.384 25.810 1.0 75.62 ? 320 THR A OG1 1 O78126 UNP 320 T +ATOM 2568 N N . GLY A 1 321 ? -66.707 19.886 28.735 1.0 77.88 ? 321 GLY A N 1 O78126 UNP 321 G +ATOM 2569 C CA . GLY A 1 321 ? -67.636 19.902 29.867 1.0 77.88 ? 321 GLY A CA 1 O78126 UNP 321 G +ATOM 2570 C C . GLY A 1 321 ? -67.800 21.296 30.483 1.0 77.88 ? 321 GLY A C 1 O78126 UNP 321 G +ATOM 2571 O O . GLY A 1 321 ? -68.926 21.748 30.698 1.0 77.88 ? 321 GLY A O 1 O78126 UNP 321 G +ATOM 2572 N N . ALA A 1 322 ? -66.697 22.018 30.699 1.0 77.88 ? 322 ALA A N 1 O78126 UNP 322 A +ATOM 2573 C CA . ALA A 1 322 ? -66.713 23.376 31.242 1.0 77.88 ? 322 ALA A CA 1 O78126 UNP 322 A +ATOM 2574 C C . ALA A 1 322 ? -67.392 24.380 30.296 1.0 77.88 ? 322 ALA A C 1 O78126 UNP 322 A +ATOM 2575 C CB . ALA A 1 322 ? -65.271 23.789 31.558 1.0 77.88 ? 322 ALA A CB 1 O78126 UNP 322 A +ATOM 2576 O O . ALA A 1 322 ? -68.187 25.209 30.743 1.0 77.88 ? 322 ALA A O 1 O78126 UNP 322 A +ATOM 2577 N N . VAL A 1 323 ? -67.135 24.288 28.986 1.0 79.00 ? 323 VAL A N 1 O78126 UNP 323 V +ATOM 2578 C CA . VAL A 1 323 ? -67.777 25.145 27.975 1.0 79.00 ? 323 VAL A CA 1 O78126 UNP 323 V +ATOM 2579 C C . VAL A 1 323 ? -69.279 24.875 27.907 1.0 79.00 ? 323 VAL A C 1 O78126 UNP 323 V +ATOM 2580 C CB . VAL A 1 323 ? -67.112 24.971 26.595 1.0 79.00 ? 323 VAL A CB 1 O78126 UNP 323 V +ATOM 2581 O O . VAL A 1 323 ? -70.065 25.822 27.918 1.0 79.00 ? 323 VAL A O 1 O78126 UNP 323 V +ATOM 2582 C CG1 . VAL A 1 323 ? -67.878 25.698 25.478 1.0 79.00 ? 323 VAL A CG1 1 O78126 UNP 323 V +ATOM 2583 C CG2 . VAL A 1 323 ? -65.690 25.547 26.605 1.0 79.00 ? 323 VAL A CG2 1 O78126 UNP 323 V +ATOM 2584 N N . VAL A 1 324 ? -69.702 23.607 27.899 1.0 77.38 ? 324 VAL A N 1 O78126 UNP 324 V +ATOM 2585 C CA . VAL A 1 324 ? -71.129 23.245 27.899 1.0 77.38 ? 324 VAL A CA 1 O78126 UNP 324 V +ATOM 2586 C C . VAL A 1 324 ? -71.816 23.753 29.169 1.0 77.38 ? 324 VAL A C 1 O78126 UNP 324 V +ATOM 2587 C CB . VAL A 1 324 ? -71.314 21.726 27.714 1.0 77.38 ? 324 VAL A CB 1 O78126 UNP 324 V +ATOM 2588 O O . VAL A 1 324 ? -72.871 24.382 29.076 1.0 77.38 ? 324 VAL A O 1 O78126 UNP 324 V +ATOM 2589 C CG1 . VAL A 1 324 ? -72.776 21.291 27.892 1.0 77.38 ? 324 VAL A CG1 1 O78126 UNP 324 V +ATOM 2590 C CG2 . VAL A 1 324 ? -70.894 21.303 26.299 1.0 77.38 ? 324 VAL A CG2 1 O78126 UNP 324 V +ATOM 2591 N N . ALA A 1 325 ? -71.198 23.578 30.341 1.0 74.38 ? 325 ALA A N 1 O78126 UNP 325 A +ATOM 2592 C CA . ALA A 1 325 ? -71.721 24.101 31.602 1.0 74.38 ? 325 ALA A CA 1 O78126 UNP 325 A +ATOM 2593 C C . ALA A 1 325 ? -71.834 25.637 31.590 1.0 74.38 ? 325 ALA A C 1 O78126 UNP 325 A +ATOM 2594 C CB . ALA A 1 325 ? -70.829 23.605 32.746 1.0 74.38 ? 325 ALA A CB 1 O78126 UNP 325 A +ATOM 2595 O O . ALA A 1 325 ? -72.866 26.183 31.986 1.0 74.38 ? 325 ALA A O 1 O78126 UNP 325 A +ATOM 2596 N N . ALA A 1 326 ? -70.824 26.343 31.073 1.0 74.56 ? 326 ALA A N 1 O78126 UNP 326 A +ATOM 2597 C CA . ALA A 1 326 ? -70.835 27.800 30.951 1.0 74.56 ? 326 ALA A CA 1 O78126 UNP 326 A +ATOM 2598 C C . ALA A 1 326 ? -71.899 28.305 29.959 1.0 74.56 ? 326 ALA A C 1 O78126 UNP 326 A +ATOM 2599 C CB . ALA A 1 326 ? -69.430 28.265 30.549 1.0 74.56 ? 326 ALA A CB 1 O78126 UNP 326 A +ATOM 2600 O O . ALA A 1 326 ? -72.573 29.302 30.231 1.0 74.56 ? 326 ALA A O 1 O78126 UNP 326 A +ATOM 2601 N N . VAL A 1 327 ? -72.099 27.617 28.830 1.0 74.50 ? 327 VAL A N 1 O78126 UNP 327 V +ATOM 2602 C CA . VAL A 1 327 ? -73.144 27.948 27.843 1.0 74.50 ? 327 VAL A CA 1 O78126 UNP 327 V +ATOM 2603 C C . VAL A 1 327 ? -74.537 27.696 28.416 1.0 74.50 ? 327 VAL A C 1 O78126 UNP 327 V +ATOM 2604 C CB . VAL A 1 327 ? -72.930 27.173 26.527 1.0 74.50 ? 327 VAL A CB 1 O78126 UNP 327 V +ATOM 2605 O O . VAL A 1 327 ? -75.421 28.539 28.253 1.0 74.50 ? 327 VAL A O 1 O78126 UNP 327 V +ATOM 2606 C CG1 . VAL A 1 327 ? -74.119 27.308 25.563 1.0 74.50 ? 327 VAL A CG1 1 O78126 UNP 327 V +ATOM 2607 C CG2 . VAL A 1 327 ? -71.696 27.707 25.786 1.0 74.50 ? 327 VAL A CG2 1 O78126 UNP 327 V +ATOM 2608 N N . MET A 1 328 ? -74.742 26.588 29.134 1.0 73.81 ? 328 MET A N 1 O78126 UNP 328 M +ATOM 2609 C CA . MET A 1 328 ? -76.005 26.315 29.828 1.0 73.81 ? 328 MET A CA 1 O78126 UNP 328 M +ATOM 2610 C C . MET A 1 328 ? -76.285 27.348 30.924 1.0 73.81 ? 328 MET A C 1 O78126 UNP 328 M +ATOM 2611 C CB . MET A 1 328 ? -75.997 24.903 30.422 1.0 73.81 ? 328 MET A CB 1 O78126 UNP 328 M +ATOM 2612 O O . MET A 1 328 ? -77.418 27.816 31.045 1.0 73.81 ? 328 MET A O 1 O78126 UNP 328 M +ATOM 2613 C CG . MET A 1 328 ? -76.155 23.827 29.343 1.0 73.81 ? 328 MET A CG 1 O78126 UNP 328 M +ATOM 2614 S SD . MET A 1 328 ? -76.259 22.137 29.990 1.0 73.81 ? 328 MET A SD 1 O78126 UNP 328 M +ATOM 2615 C CE . MET A 1 328 ? -77.860 22.185 30.842 1.0 73.81 ? 328 MET A CE 1 O78126 UNP 328 M +ATOM 2616 N N . TRP A 1 329 ? -75.261 27.768 31.675 1.0 71.62 ? 329 TRP A N 1 O78126 UNP 329 W +ATOM 2617 C CA . TRP A 1 329 ? -75.386 28.844 32.659 1.0 71.62 ? 329 TRP A CA 1 O78126 UNP 329 W +ATOM 2618 C C . TRP A 1 329 ? -75.751 30.171 31.988 1.0 71.62 ? 329 TRP A C 1 O78126 UNP 329 W +ATOM 2619 C CB . TRP A 1 329 ? -74.095 28.968 33.474 1.0 71.62 ? 329 TRP A CB 1 O78126 UNP 329 W +ATOM 2620 O O . TRP A 1 329 ? -76.680 30.845 32.435 1.0 71.62 ? 329 TRP A O 1 O78126 UNP 329 W +ATOM 2621 C CG . TRP A 1 329 ? -74.236 29.684 34.783 1.0 71.62 ? 329 TRP A CG 1 O78126 UNP 329 W +ATOM 2622 C CD1 . TRP A 1 329 ? -74.745 30.925 34.979 1.0 71.62 ? 329 TRP A CD1 1 O78126 UNP 329 W +ATOM 2623 C CD2 . TRP A 1 329 ? -73.848 29.204 36.107 1.0 71.62 ? 329 TRP A CD2 1 O78126 UNP 329 W +ATOM 2624 C CE2 . TRP A 1 329 ? -74.173 30.209 37.066 1.0 71.62 ? 329 TRP A CE2 1 O78126 UNP 329 W +ATOM 2625 C CE3 . TRP A 1 329 ? -73.243 28.024 36.591 1.0 71.62 ? 329 TRP A CE3 1 O78126 UNP 329 W +ATOM 2626 N NE1 . TRP A 1 329 ? -74.718 31.233 36.324 1.0 71.62 ? 329 TRP A NE1 1 O78126 UNP 329 W +ATOM 2627 C CH2 . TRP A 1 329 ? -73.311 28.869 38.884 1.0 71.62 ? 329 TRP A CH2 1 O78126 UNP 329 W +ATOM 2628 C CZ2 . TRP A 1 329 ? -73.917 30.055 38.435 1.0 71.62 ? 329 TRP A CZ2 1 O78126 UNP 329 W +ATOM 2629 C CZ3 . TRP A 1 329 ? -72.976 27.859 37.964 1.0 71.62 ? 329 TRP A CZ3 1 O78126 UNP 329 W +ATOM 2630 N N . ARG A 1 330 ? -75.094 30.519 30.871 1.0 65.06 ? 330 ARG A N 1 O78126 UNP 330 R +ATOM 2631 C CA . ARG A 1 330 ? -75.415 31.728 30.096 1.0 65.06 ? 330 ARG A CA 1 O78126 UNP 330 R +ATOM 2632 C C . ARG A 1 330 ? -76.838 31.706 29.551 1.0 65.06 ? 330 ARG A C 1 O78126 UNP 330 R +ATOM 2633 C CB . ARG A 1 330 ? -74.400 31.972 28.969 1.0 65.06 ? 330 ARG A CB 1 O78126 UNP 330 R +ATOM 2634 O O . ARG A 1 330 ? -77.530 32.710 29.706 1.0 65.06 ? 330 ARG A O 1 O78126 UNP 330 R +ATOM 2635 C CG . ARG A 1 330 ? -73.268 32.898 29.431 1.0 65.06 ? 330 ARG A CG 1 O78126 UNP 330 R +ATOM 2636 C CD . ARG A 1 330 ? -72.387 33.280 28.237 1.0 65.06 ? 330 ARG A CD 1 O78126 UNP 330 R +ATOM 2637 N NE . ARG A 1 330 ? -71.291 34.184 28.632 1.0 65.06 ? 330 ARG A NE 1 O78126 UNP 330 R +ATOM 2638 N NH1 . ARG A 1 330 ? -70.286 34.338 26.572 1.0 65.06 ? 330 ARG A NH1 1 O78126 UNP 330 R +ATOM 2639 N NH2 . ARG A 1 330 ? -69.399 35.415 28.310 1.0 65.06 ? 330 ARG A NH2 1 O78126 UNP 330 R +ATOM 2640 C CZ . ARG A 1 330 ? -70.335 34.640 27.840 1.0 65.06 ? 330 ARG A CZ 1 O78126 UNP 330 R +ATOM 2641 N N . ARG A 1 331 ? -77.300 30.575 29.002 1.0 60.09 ? 331 ARG A N 1 O78126 UNP 331 R +ATOM 2642 C CA . ARG A 1 331 ? -78.689 30.406 28.535 1.0 60.09 ? 331 ARG A CA 1 O78126 UNP 331 R +ATOM 2643 C C . ARG A 1 331 ? -79.701 30.547 29.674 1.0 60.09 ? 331 ARG A C 1 O78126 UNP 331 R +ATOM 2644 C CB . ARG A 1 331 ? -78.868 29.063 27.801 1.0 60.09 ? 331 ARG A CB 1 O78126 UNP 331 R +ATOM 2645 O O . ARG A 1 331 ? -80.736 31.173 29.486 1.0 60.09 ? 331 ARG A O 1 O78126 UNP 331 R +ATOM 2646 C CG . ARG A 1 331 ? -78.792 29.234 26.276 1.0 60.09 ? 331 ARG A CG 1 O78126 UNP 331 R +ATOM 2647 C CD . ARG A 1 331 ? -79.094 27.907 25.565 1.0 60.09 ? 331 ARG A CD 1 O78126 UNP 331 R +ATOM 2648 N NE . ARG A 1 331 ? -79.317 28.099 24.118 1.0 60.09 ? 331 ARG A NE 1 O78126 UNP 331 R +ATOM 2649 N NH1 . ARG A 1 331 ? -79.613 25.890 23.557 1.0 60.09 ? 331 ARG A NH1 1 O78126 UNP 331 R +ATOM 2650 N NH2 . ARG A 1 331 ? -79.820 27.459 21.988 1.0 60.09 ? 331 ARG A NH2 1 O78126 UNP 331 R +ATOM 2651 C CZ . ARG A 1 331 ? -79.580 27.153 23.232 1.0 60.09 ? 331 ARG A CZ 1 O78126 UNP 331 R +ATOM 2652 N N . LYS A 1 332 ? -79.382 30.040 30.870 1.0 54.59 ? 332 LYS A N 1 O78126 UNP 332 K +ATOM 2653 C CA . LYS A 1 332 ? -80.238 30.182 32.060 1.0 54.59 ? 332 LYS A CA 1 O78126 UNP 332 K +ATOM 2654 C C . LYS A 1 332 ? -80.234 31.607 32.640 1.0 54.59 ? 332 LYS A C 1 O78126 UNP 332 K +ATOM 2655 C CB . LYS A 1 332 ? -79.831 29.106 33.081 1.0 54.59 ? 332 LYS A CB 1 O78126 UNP 332 K +ATOM 2656 O O . LYS A 1 332 ? -81.219 32.012 33.248 1.0 54.59 ? 332 LYS A O 1 O78126 UNP 332 K +ATOM 2657 C CG . LYS A 1 332 ? -80.885 28.908 34.180 1.0 54.59 ? 332 LYS A CG 1 O78126 UNP 332 K +ATOM 2658 C CD . LYS A 1 332 ? -80.510 27.725 35.084 1.0 54.59 ? 332 LYS A CD 1 O78126 UNP 332 K +ATOM 2659 C CE . LYS A 1 332 ? -81.585 27.515 36.157 1.0 54.59 ? 332 LYS A CE 1 O78126 UNP 332 K +ATOM 2660 N NZ . LYS A 1 332 ? -81.267 26.356 37.031 1.0 54.59 ? 332 LYS A NZ 1 O78126 UNP 332 K +ATOM 2661 N N . SER A 1 333 ? -79.162 32.384 32.445 1.0 53.31 ? 333 SER A N 1 O78126 UNP 333 S +ATOM 2662 C CA . SER A 1 333 ? -79.100 33.798 32.857 1.0 53.31 ? 333 SER A CA 1 O78126 UNP 333 S +ATOM 2663 C C . SER A 1 333 ? -79.671 34.786 31.832 1.0 53.31 ? 333 SER A C 1 O78126 UNP 333 S +ATOM 2664 C CB . SER A 1 333 ? -77.671 34.204 33.229 1.0 53.31 ? 333 SER A CB 1 O78126 UNP 333 S +ATOM 2665 O O . SER A 1 333 ? -80.089 35.873 32.227 1.0 53.31 ? 333 SER A O 1 O78126 UNP 333 S +ATOM 2666 O OG . SER A 1 333 ? -76.766 34.030 32.157 1.0 53.31 ? 333 SER A OG 1 O78126 UNP 333 S +ATOM 2667 N N . SER A 1 334 ? -79.711 34.438 30.539 1.0 52.81 ? 334 SER A N 1 O78126 UNP 334 S +ATOM 2668 C CA . SER A 1 334 ? -80.251 35.312 29.485 1.0 52.81 ? 334 SER A CA 1 O78126 UNP 334 S +ATOM 2669 C C . SER A 1 334 ? -81.781 35.335 29.427 1.0 52.81 ? 334 SER A C 1 O78126 UNP 334 S +ATOM 2670 C CB . SER A 1 334 ? -79.661 34.957 28.115 1.0 52.81 ? 334 SER A CB 1 O78126 UNP 334 S +ATOM 2671 O O . SER A 1 334 ? -82.337 36.266 28.860 1.0 52.81 ? 334 SER A O 1 O78126 UNP 334 S +ATOM 2672 O OG . SER A 1 334 ? -79.888 33.602 27.777 1.0 52.81 ? 334 SER A OG 1 O78126 UNP 334 S +ATOM 2673 N N . ASP A 1 335 ? -82.463 34.385 30.073 1.0 45.78 ? 335 ASP A N 1 O78126 UNP 335 D +ATOM 2674 C CA . ASP A 1 335 ? -83.932 34.372 30.188 1.0 45.78 ? 335 ASP A CA 1 O78126 UNP 335 D +ATOM 2675 C C . ASP A 1 335 ? -84.473 35.312 31.289 1.0 45.78 ? 335 ASP A C 1 O78126 UNP 335 D +ATOM 2676 C CB . ASP A 1 335 ? -84.414 32.913 30.378 1.0 45.78 ? 335 ASP A CB 1 O78126 UNP 335 D +ATOM 2677 O O . ASP A 1 335 ? -85.674 35.358 31.545 1.0 45.78 ? 335 ASP A O 1 O78126 UNP 335 D +ATOM 2678 C CG . ASP A 1 335 ? -85.342 32.387 29.271 1.0 45.78 ? 335 ASP A CG 1 O78126 UNP 335 D +ATOM 2679 O OD1 . ASP A 1 335 ? -85.551 33.098 28.264 1.0 45.78 ? 335 ASP A OD1 1 O78126 UNP 335 D +ATOM 2680 O OD2 . ASP A 1 335 ? -85.780 31.227 29.429 1.0 45.78 ? 335 ASP A OD2 1 O78126 UNP 335 D +ATOM 2681 N N . ARG A 1 336 ? -83.603 36.072 31.981 1.0 46.66 ? 336 ARG A N 1 O78126 UNP 336 R +ATOM 2682 C CA . ARG A 1 336 ? -83.993 36.856 33.171 1.0 46.66 ? 336 ARG A CA 1 O78126 UNP 336 R +ATOM 2683 C C . ARG A 1 336 ? -83.576 38.329 33.177 1.0 46.66 ? 336 ARG A C 1 O78126 UNP 336 R +ATOM 2684 C CB . ARG A 1 336 ? -83.580 36.100 34.450 1.0 46.66 ? 336 ARG A CB 1 O78126 UNP 336 R +ATOM 2685 O O . ARG A 1 336 ? -83.504 38.907 34.258 1.0 46.66 ? 336 ARG A O 1 O78126 UNP 336 R +ATOM 2686 C CG . ARG A 1 336 ? -84.520 36.415 35.630 1.0 46.66 ? 336 ARG A CG 1 O78126 UNP 336 R +ATOM 2687 C CD . ARG A 1 336 ? -84.037 35.748 36.918 1.0 46.66 ? 336 ARG A CD 1 O78126 UNP 336 R +ATOM 2688 N NE . ARG A 1 336 ? -84.680 36.363 38.097 1.0 46.66 ? 336 ARG A NE 1 O78126 UNP 336 R +ATOM 2689 N NH1 . ARG A 1 336 ? -84.486 34.591 39.540 1.0 46.66 ? 336 ARG A NH1 1 O78126 UNP 336 R +ATOM 2690 N NH2 . ARG A 1 336 ? -85.379 36.503 40.260 1.0 46.66 ? 336 ARG A NH2 1 O78126 UNP 336 R +ATOM 2691 C CZ . ARG A 1 336 ? -84.844 35.819 39.289 1.0 46.66 ? 336 ARG A CZ 1 O78126 UNP 336 R +ATOM 2692 N N . LYS A 1 337 ? -83.315 38.974 32.035 1.0 38.19 ? 337 LYS A N 1 O78126 UNP 337 K +ATOM 2693 C CA . LYS A 1 337 ? -83.176 40.448 32.002 1.0 38.19 ? 337 LYS A CA 1 O78126 UNP 337 K +ATOM 2694 C C . LYS A 1 337 ? -83.319 41.021 30.590 1.0 38.19 ? 337 LYS A C 1 O78126 UNP 337 K +ATOM 2695 C CB . LYS A 1 337 ? -81.867 40.882 32.714 1.0 38.19 ? 337 LYS A CB 1 O78126 UNP 337 K +ATOM 2696 O O . LYS A 1 337 ? -82.341 41.249 29.887 1.0 38.19 ? 337 LYS A O 1 O78126 UNP 337 K +ATOM 2697 C CG . LYS A 1 337 ? -82.156 41.644 34.025 1.0 38.19 ? 337 LYS A CG 1 O78126 UNP 337 K +ATOM 2698 C CD . LYS A 1 337 ? -80.934 41.658 34.950 1.0 38.19 ? 337 LYS A CD 1 O78126 UNP 337 K +ATOM 2699 C CE . LYS A 1 337 ? -81.314 42.273 36.302 1.0 38.19 ? 337 LYS A CE 1 O78126 UNP 337 K +ATOM 2700 N NZ . LYS A 1 337 ? -80.121 42.483 37.161 1.0 38.19 ? 337 LYS A NZ 1 O78126 UNP 337 K +ATOM 2701 N N . GLY A 1 338 ? -84.568 41.268 30.204 1.0 35.31 ? 338 GLY A N 1 O78126 UNP 338 G +ATOM 2702 C CA . GLY A 1 338 ? -84.903 42.236 29.166 1.0 35.31 ? 338 GLY A CA 1 O78126 UNP 338 G +ATOM 2703 C C . GLY A 1 338 ? -84.945 43.654 29.745 1.0 35.31 ? 338 GLY A C 1 O78126 UNP 338 G +ATOM 2704 O O . GLY A 1 338 ? -85.469 43.856 30.837 1.0 35.31 ? 338 GLY A O 1 O78126 UNP 338 G +ATOM 2705 N N . GLY A 1 339 ? -84.417 44.609 28.976 1.0 33.59 ? 339 GLY A N 1 O78126 UNP 339 G +ATOM 2706 C CA . GLY A 1 339 ? -84.789 46.027 29.018 1.0 33.59 ? 339 GLY A CA 1 O78126 UNP 339 G +ATOM 2707 C C . GLY A 1 339 ? -84.043 46.923 30.011 1.0 33.59 ? 339 GLY A C 1 O78126 UNP 339 G +ATOM 2708 O O . GLY A 1 339 ? -84.365 46.963 31.190 1.0 33.59 ? 339 GLY A O 1 O78126 UNP 339 G +ATOM 2709 N N . SER A 1 340 ? -83.120 47.746 29.512 1.0 33.16 ? 340 SER A N 1 O78126 UNP 340 S +ATOM 2710 C CA . SER A 1 340 ? -83.380 49.174 29.249 1.0 33.16 ? 340 SER A CA 1 O78126 UNP 340 S +ATOM 2711 C C . SER A 1 340 ? -82.069 49.951 29.138 1.0 33.16 ? 340 SER A C 1 O78126 UNP 340 S +ATOM 2712 C CB . SER A 1 340 ? -84.253 49.881 30.295 1.0 33.16 ? 340 SER A CB 1 O78126 UNP 340 S +ATOM 2713 O O . SER A 1 340 ? -81.177 49.836 29.973 1.0 33.16 ? 340 SER A O 1 O78126 UNP 340 S +ATOM 2714 O OG . SER A 1 340 ? -84.568 51.179 29.818 1.0 33.16 ? 340 SER A OG 1 O78126 UNP 340 S +ATOM 2715 N N . TYR A 1 341 ? -82.002 50.757 28.085 1.0 37.72 ? 341 TYR A N 1 O78126 UNP 341 Y +ATOM 2716 C CA . TYR A 1 341 ? -80.959 51.727 27.784 1.0 37.72 ? 341 TYR A CA 1 O78126 UNP 341 Y +ATOM 2717 C C . TYR A 1 341 ? -80.942 52.889 28.784 1.0 37.72 ? 341 TYR A C 1 O78126 UNP 341 Y +ATOM 2718 C CB . TYR A 1 341 ? -81.267 52.308 26.391 1.0 37.72 ? 341 TYR A CB 1 O78126 UNP 341 Y +ATOM 2719 O O . TYR A 1 341 ? -81.997 53.359 29.204 1.0 37.72 ? 341 TYR A O 1 O78126 UNP 341 Y +ATOM 2720 C CG . TYR A 1 341 ? -80.695 51.540 25.218 1.0 37.72 ? 341 TYR A CG 1 O78126 UNP 341 Y +ATOM 2721 C CD1 . TYR A 1 341 ? -79.600 52.086 24.522 1.0 37.72 ? 341 TYR A CD1 1 O78126 UNP 341 Y +ATOM 2722 C CD2 . TYR A 1 341 ? -81.260 50.319 24.795 1.0 37.72 ? 341 TYR A CD2 1 O78126 UNP 341 Y +ATOM 2723 C CE1 . TYR A 1 341 ? -79.063 51.419 23.407 1.0 37.72 ? 341 TYR A CE1 1 O78126 UNP 341 Y +ATOM 2724 C CE2 . TYR A 1 341 ? -80.719 49.645 23.682 1.0 37.72 ? 341 TYR A CE2 1 O78126 UNP 341 Y +ATOM 2725 O OH . TYR A 1 341 ? -79.107 49.547 21.911 1.0 37.72 ? 341 TYR A OH 1 O78126 UNP 341 Y +ATOM 2726 C CZ . TYR A 1 341 ? -79.622 50.195 22.987 1.0 37.72 ? 341 TYR A CZ 1 O78126 UNP 341 Y +ATOM 2727 N N . SER A 1 342 ? -79.751 53.444 29.014 1.0 34.12 ? 342 SER A N 1 O78126 UNP 342 S +ATOM 2728 C CA . SER A 1 342 ? -79.567 54.892 29.155 1.0 34.12 ? 342 SER A CA 1 O78126 UNP 342 S +ATOM 2729 C C . SER A 1 342 ? -78.129 55.276 28.808 1.0 34.12 ? 342 SER A C 1 O78126 UNP 342 S +ATOM 2730 C CB . SER A 1 342 ? -79.977 55.427 30.531 1.0 34.12 ? 342 SER A CB 1 O78126 UNP 342 S +ATOM 2731 O O . SER A 1 342 ? -77.166 54.715 29.325 1.0 34.12 ? 342 SER A O 1 O78126 UNP 342 S +ATOM 2732 O OG . SER A 1 342 ? -79.475 54.619 31.570 1.0 34.12 ? 342 SER A OG 1 O78126 UNP 342 S +ATOM 2733 N N . GLN A 1 343 ? -78.042 56.221 27.881 1.0 40.22 ? 343 GLN A N 1 O78126 UNP 343 Q +ATOM 2734 C CA . GLN A 1 343 ? -76.866 56.799 27.247 1.0 40.22 ? 343 GLN A CA 1 O78126 UNP 343 Q +ATOM 2735 C C . GLN A 1 343 ? -76.494 58.113 27.956 1.0 40.22 ? 343 GLN A C 1 O78126 UNP 343 Q +ATOM 2736 C CB . GLN A 1 343 ? -77.311 57.033 25.788 1.0 40.22 ? 343 GLN A CB 1 O78126 UNP 343 Q +ATOM 2737 O O . GLN A 1 343 ? -77.377 58.917 28.236 1.0 40.22 ? 343 GLN A O 1 O78126 UNP 343 Q +ATOM 2738 C CG . GLN A 1 343 ? -76.310 57.658 24.807 1.0 40.22 ? 343 GLN A CG 1 O78126 UNP 343 Q +ATOM 2739 C CD . GLN A 1 343 ? -76.930 57.838 23.415 1.0 40.22 ? 343 GLN A CD 1 O78126 UNP 343 Q +ATOM 2740 N NE2 . GLN A 1 343 ? -76.182 58.307 22.442 1.0 40.22 ? 343 GLN A NE2 1 O78126 UNP 343 Q +ATOM 2741 O OE1 . GLN A 1 343 ? -78.090 57.557 23.164 1.0 40.22 ? 343 GLN A OE1 1 O78126 UNP 343 Q +ATOM 2742 N N . ALA A 1 344 ? -75.202 58.346 28.187 1.0 32.16 ? 344 ALA A N 1 O78126 UNP 344 A +ATOM 2743 C CA . ALA A 1 344 ? -74.568 59.660 28.378 1.0 32.16 ? 344 ALA A CA 1 O78126 UNP 344 A +ATOM 2744 C C . ALA A 1 344 ? -73.068 59.451 28.072 1.0 32.16 ? 344 ALA A C 1 O78126 UNP 344 A +ATOM 2745 C CB . ALA A 1 344 ? -74.802 60.152 29.813 1.0 32.16 ? 344 ALA A CB 1 O78126 UNP 344 A +ATOM 2746 O O . ALA A 1 344 ? -72.458 58.565 28.658 1.0 32.16 ? 344 ALA A O 1 O78126 UNP 344 A +ATOM 2747 N N . ALA A 1 345 ? -72.508 59.942 26.964 1.0 33.72 ? 345 ALA A N 1 O78126 UNP 345 A +ATOM 2748 C CA . ALA A 1 345 ? -72.185 61.325 26.593 1.0 33.72 ? 345 ALA A CA 1 O78126 UNP 345 A +ATOM 2749 C C . ALA A 1 345 ? -70.962 61.900 27.340 1.0 33.72 ? 345 ALA A C 1 O78126 UNP 345 A +ATOM 2750 C CB . ALA A 1 345 ? -73.400 62.264 26.601 1.0 33.72 ? 345 ALA A CB 1 O78126 UNP 345 A +ATOM 2751 O O . ALA A 1 345 ? -71.040 62.142 28.539 1.0 33.72 ? 345 ALA A O 1 O78126 UNP 345 A +ATOM 2752 N N . SER A 1 346 ? -69.924 62.219 26.541 1.0 34.16 ? 346 SER A N 1 O78126 UNP 346 S +ATOM 2753 C CA . SER A 1 346 ? -68.799 63.148 26.793 1.0 34.16 ? 346 SER A CA 1 O78126 UNP 346 S +ATOM 2754 C C . SER A 1 346 ? -67.703 62.649 27.760 1.0 34.16 ? 346 SER A C 1 O78126 UNP 346 S +ATOM 2755 C CB . SER A 1 346 ? -69.421 64.480 27.222 1.0 34.16 ? 346 SER A CB 1 O78126 UNP 346 S +ATOM 2756 O O . SER A 1 346 ? -68.023 62.167 28.833 1.0 34.16 ? 346 SER A O 1 O78126 UNP 346 S +ATOM 2757 O OG . SER A 1 346 ? -68.485 65.520 27.221 1.0 34.16 ? 346 SER A OG 1 O78126 UNP 346 S +ATOM 2758 N N . SER A 1 347 ? -66.390 62.714 27.496 1.0 37.72 ? 347 SER A N 1 O78126 UNP 347 S +ATOM 2759 C CA . SER A 1 347 ? -65.587 63.599 26.632 1.0 37.72 ? 347 SER A CA 1 O78126 UNP 347 S +ATOM 2760 C C . SER A 1 347 ? -64.204 63.005 26.306 1.0 37.72 ? 347 SER A C 1 O78126 UNP 347 S +ATOM 2761 C CB . SER A 1 347 ? -65.282 64.920 27.364 1.0 37.72 ? 347 SER A CB 1 O78126 UNP 347 S +ATOM 2762 O O . SER A 1 347 ? -63.579 62.369 27.151 1.0 37.72 ? 347 SER A O 1 O78126 UNP 347 S +ATOM 2763 O OG . SER A 1 347 ? -65.029 64.694 28.739 1.0 37.72 ? 347 SER A OG 1 O78126 UNP 347 S +ATOM 2764 N N . ASP A 1 348 ? -63.760 63.306 25.085 1.0 36.34 ? 348 ASP A N 1 O78126 UNP 348 D +ATOM 2765 C CA . ASP A 1 348 ? -62.410 63.611 24.583 1.0 36.34 ? 348 ASP A CA 1 O78126 UNP 348 D +ATOM 2766 C C . ASP A 1 348 ? -61.192 63.559 25.518 1.0 36.34 ? 348 ASP A C 1 O78126 UNP 348 D +ATOM 2767 C CB . ASP A 1 348 ? -62.460 65.056 24.053 1.0 36.34 ? 348 ASP A CB 1 O78126 UNP 348 D +ATOM 2768 O O . ASP A 1 348 ? -61.148 64.210 26.560 1.0 36.34 ? 348 ASP A O 1 O78126 UNP 348 D +ATOM 2769 C CG . ASP A 1 348 ? -63.293 65.194 22.785 1.0 36.34 ? 348 ASP A CG 1 O78126 UNP 348 D +ATOM 2770 O OD1 . ASP A 1 348 ? -63.177 64.286 21.934 1.0 36.34 ? 348 ASP A OD1 1 O78126 UNP 348 D +ATOM 2771 O OD2 . ASP A 1 348 ? -64.059 66.175 22.701 1.0 36.34 ? 348 ASP A OD2 1 O78126 UNP 348 D +ATOM 2772 N N . SER A 1 349 ? -60.114 62.931 25.036 1.0 43.94 ? 349 SER A N 1 O78126 UNP 349 S +ATOM 2773 C CA . SER A 1 349 ? -58.902 63.584 24.474 1.0 43.94 ? 349 SER A CA 1 O78126 UNP 349 S +ATOM 2774 C C . SER A 1 349 ? -57.831 62.492 24.265 1.0 43.94 ? 349 SER A C 1 O78126 UNP 349 S +ATOM 2775 C CB . SER A 1 349 ? -58.362 64.757 25.316 1.0 43.94 ? 349 SER A CB 1 O78126 UNP 349 S +ATOM 2776 O O . SER A 1 349 ? -57.520 61.736 25.175 1.0 43.94 ? 349 SER A O 1 O78126 UNP 349 S +ATOM 2777 O OG . SER A 1 349 ? -58.525 64.584 26.705 1.0 43.94 ? 349 SER A OG 1 O78126 UNP 349 S +ATOM 2778 N N . ALA A 1 350 ? -57.473 62.127 23.031 1.0 37.84 ? 350 ALA A N 1 O78126 UNP 350 A +ATOM 2779 C CA . ALA A 1 350 ? -56.652 62.829 22.035 1.0 37.84 ? 350 ALA A CA 1 O78126 UNP 350 A +ATOM 2780 C C . ALA A 1 350 ? -55.137 62.639 22.257 1.0 37.84 ? 350 ALA A C 1 O78126 UNP 350 A +ATOM 2781 C CB . ALA A 1 350 ? -57.040 64.299 21.827 1.0 37.84 ? 350 ALA A CB 1 O78126 UNP 350 A +ATOM 2782 O O . ALA A 1 350 ? -54.570 63.237 23.160 1.0 37.84 ? 350 ALA A O 1 O78126 UNP 350 A +ATOM 2783 N N . GLN A 1 351 ? -54.544 61.827 21.366 1.0 43.88 ? 351 GLN A N 1 O78126 UNP 351 Q +ATOM 2784 C CA . GLN A 1 351 ? -53.179 61.815 20.786 1.0 43.88 ? 351 GLN A CA 1 O78126 UNP 351 Q +ATOM 2785 C C . GLN A 1 351 ? -52.783 60.340 20.559 1.0 43.88 ? 351 GLN A C 1 O78126 UNP 351 Q +ATOM 2786 C CB . GLN A 1 351 ? -52.113 62.577 21.609 1.0 43.88 ? 351 GLN A CB 1 O78126 UNP 351 Q +ATOM 2787 O O . GLN A 1 351 ? -52.563 59.610 21.515 1.0 43.88 ? 351 GLN A O 1 O78126 UNP 351 Q +ATOM 2788 C CG . GLN A 1 351 ? -52.086 64.059 21.185 1.0 43.88 ? 351 GLN A CG 1 O78126 UNP 351 Q +ATOM 2789 C CD . GLN A 1 351 ? -51.140 64.936 22.000 1.0 43.88 ? 351 GLN A CD 1 O78126 UNP 351 Q +ATOM 2790 N NE2 . GLN A 1 351 ? -50.653 66.023 21.439 1.0 43.88 ? 351 GLN A NE2 1 O78126 UNP 351 Q +ATOM 2791 O OE1 . GLN A 1 351 ? -50.822 64.700 23.150 1.0 43.88 ? 351 GLN A OE1 1 O78126 UNP 351 Q +ATOM 2792 N N . GLY A 1 352 ? -52.791 59.770 19.344 1.0 33.47 ? 352 GLY A N 1 O78126 UNP 352 G +ATOM 2793 C CA . GLY A 1 352 ? -52.321 60.320 18.065 1.0 33.47 ? 352 GLY A CA 1 O78126 UNP 352 G +ATOM 2794 C C . GLY A 1 352 ? -50.804 60.476 18.168 1.0 33.47 ? 352 GLY A C 1 O78126 UNP 352 G +ATOM 2795 O O . GLY A 1 352 ? -50.344 61.320 18.924 1.0 33.47 ? 352 GLY A O 1 O78126 UNP 352 G +ATOM 2796 N N . SER A 1 353 ? -49.945 59.705 17.507 1.0 43.34 ? 353 SER A N 1 O78126 UNP 353 S +ATOM 2797 C CA . SER A 1 353 ? -49.853 59.452 16.059 1.0 43.34 ? 353 SER A CA 1 O78126 UNP 353 S +ATOM 2798 C C . SER A 1 353 ? -48.815 58.312 15.891 1.0 43.34 ? 353 SER A C 1 O78126 UNP 353 S +ATOM 2799 C CB . SER A 1 353 ? -49.348 60.739 15.361 1.0 43.34 ? 353 SER A CB 1 O78126 UNP 353 S +ATOM 2800 O O . SER A 1 353 ? -47.902 58.221 16.710 1.0 43.34 ? 353 SER A O 1 O78126 UNP 353 S +ATOM 2801 O OG . SER A 1 353 ? -49.708 61.940 16.034 1.0 43.34 ? 353 SER A OG 1 O78126 UNP 353 S +ATOM 2802 N N . ASP A 1 354 ? -49.023 57.305 15.034 1.0 40.19 ? 354 ASP A N 1 O78126 UNP 354 D +ATOM 2803 C CA . ASP A 1 354 ? -48.584 57.245 13.617 1.0 40.19 ? 354 ASP A CA 1 O78126 UNP 354 D +ATOM 2804 C C . ASP A 1 354 ? -47.051 57.421 13.454 1.0 40.19 ? 354 ASP A C 1 O78126 UNP 354 D +ATOM 2805 C CB . ASP A 1 354 ? -49.413 58.210 12.747 1.0 40.19 ? 354 ASP A CB 1 O78126 UNP 354 D +ATOM 2806 O O . ASP A 1 354 ? -46.456 58.277 14.088 1.0 40.19 ? 354 ASP A O 1 O78126 UNP 354 D +ATOM 2807 C CG . ASP A 1 354 ? -50.843 57.744 12.462 1.0 40.19 ? 354 ASP A CG 1 O78126 UNP 354 D +ATOM 2808 O OD1 . ASP A 1 354 ? -51.096 56.521 12.546 1.0 40.19 ? 354 ASP A OD1 1 O78126 UNP 354 D +ATOM 2809 O OD2 . ASP A 1 354 ? -51.663 58.625 12.126 1.0 40.19 ? 354 ASP A OD2 1 O78126 UNP 354 D +ATOM 2810 N N . VAL A 1 355 ? -46.292 56.708 12.617 1.0 37.22 ? 355 VAL A N 1 O78126 UNP 355 V +ATOM 2811 C CA . VAL A 1 355 ? -46.591 55.914 11.420 1.0 37.22 ? 355 VAL A CA 1 O78126 UNP 355 V +ATOM 2812 C C . VAL A 1 355 ? -45.284 55.219 10.980 1.0 37.22 ? 355 VAL A C 1 O78126 UNP 355 V +ATOM 2813 C CB . VAL A 1 355 ? -47.135 56.874 10.318 1.0 37.22 ? 355 VAL A CB 1 O78126 UNP 355 V +ATOM 2814 O O . VAL A 1 355 ? -44.201 55.748 11.204 1.0 37.22 ? 355 VAL A O 1 O78126 UNP 355 V +ATOM 2815 C CG1 . VAL A 1 355 ? -46.350 57.094 9.019 1.0 37.22 ? 355 VAL A CG1 1 O78126 UNP 355 V +ATOM 2816 C CG2 . VAL A 1 355 ? -48.558 56.471 9.924 1.0 37.22 ? 355 VAL A CG2 1 O78126 UNP 355 V +ATOM 2817 N N . SER A 1 356 ? -45.427 54.042 10.367 1.0 38.72 ? 356 SER A N 1 O78126 UNP 356 S +ATOM 2818 C CA . SER A 1 356 ? -44.665 53.438 9.251 1.0 38.72 ? 356 SER A CA 1 O78126 UNP 356 S +ATOM 2819 C C . SER A 1 356 ? -43.147 53.645 9.073 1.0 38.72 ? 356 SER A C 1 O78126 UNP 356 S +ATOM 2820 C CB . SER A 1 356 ? -45.327 53.882 7.944 1.0 38.72 ? 356 SER A CB 1 O78126 UNP 356 S +ATOM 2821 O O . SER A 1 356 ? -42.658 54.764 9.024 1.0 38.72 ? 356 SER A O 1 O78126 UNP 356 S +ATOM 2822 O OG . SER A 1 356 ? -46.738 53.777 8.041 1.0 38.72 ? 356 SER A OG 1 O78126 UNP 356 S +ATOM 2823 N N . LEU A 1 357 ? -42.444 52.566 8.687 1.0 39.75 ? 357 LEU A N 1 O78126 UNP 357 L +ATOM 2824 C CA . LEU A 1 357 ? -41.965 52.339 7.301 1.0 39.75 ? 357 LEU A CA 1 O78126 UNP 357 L +ATOM 2825 C C . LEU A 1 357 ? -41.037 51.100 7.190 1.0 39.75 ? 357 LEU A C 1 O78126 UNP 357 L +ATOM 2826 C CB . LEU A 1 357 ? -41.259 53.579 6.692 1.0 39.75 ? 357 LEU A CB 1 O78126 UNP 357 L +ATOM 2827 O O . LEU A 1 357 ? -40.013 51.000 7.850 1.0 39.75 ? 357 LEU A O 1 O78126 UNP 357 L +ATOM 2828 C CG . LEU A 1 357 ? -42.216 54.558 5.966 1.0 39.75 ? 357 LEU A CG 1 O78126 UNP 357 L +ATOM 2829 C CD1 . LEU A 1 357 ? -41.564 55.924 5.780 1.0 39.75 ? 357 LEU A CD1 1 O78126 UNP 357 L +ATOM 2830 C CD2 . LEU A 1 357 ? -42.663 54.075 4.585 1.0 39.75 ? 357 LEU A CD2 1 O78126 UNP 357 L +ATOM 2831 N N . THR A 1 358 ? -41.460 50.176 6.321 1.0 40.97 ? 358 THR A N 1 O78126 UNP 358 T +ATOM 2832 C CA . THR A 1 358 ? -40.730 49.404 5.281 1.0 40.97 ? 358 THR A CA 1 O78126 UNP 358 T +ATOM 2833 C C . THR A 1 358 ? -39.232 49.051 5.350 1.0 40.97 ? 358 THR A C 1 O78126 UNP 358 T +ATOM 2834 C CB . THR A 1 358 ? -40.912 50.094 3.910 1.0 40.97 ? 358 THR A CB 1 O78126 UNP 358 T +ATOM 2835 O O . THR A 1 358 ? -38.394 49.939 5.398 1.0 40.97 ? 358 THR A O 1 O78126 UNP 358 T +ATOM 2836 C CG2 . THR A 1 358 ? -42.106 49.546 3.142 1.0 40.97 ? 358 THR A CG2 1 O78126 UNP 358 T +ATOM 2837 O OG1 . THR A 1 358 ? -41.135 51.472 4.049 1.0 40.97 ? 358 THR A OG1 1 O78126 UNP 358 T +ATOM 2838 N N . ALA A 1 359 ? -38.986 47.767 5.004 1.0 40.66 ? 359 ALA A N 1 O78126 UNP 359 A +ATOM 2839 C CA . ALA A 1 359 ? -37.966 47.200 4.084 1.0 40.66 ? 359 ALA A CA 1 O78126 UNP 359 A +ATOM 2840 C C . ALA A 1 359 ? -36.469 47.378 4.454 1.0 40.66 ? 359 ALA A C 1 O78126 UNP 359 A +ATOM 2841 C CB . ALA A 1 359 ? -38.319 47.655 2.659 1.0 40.66 ? 359 ALA A CB 1 O78126 UNP 359 A +ATOM 2842 O O . ALA A 1 359 ? -36.092 48.309 5.134 1.0 40.66 ? 359 ALA A O 1 O78126 UNP 359 A +ATOM 2843 N N . CYS A 1 360 ? -35.510 46.531 4.071 1.0 37.56 ? 360 CYS A N 1 O78126 UNP 360 C +ATOM 2844 C CA . CYS A 1 360 ? -35.372 45.656 2.913 1.0 37.56 ? 360 CYS A CA 1 O78126 UNP 360 C +ATOM 2845 C C . CYS A 1 360 ? -34.353 44.543 3.231 1.0 37.56 ? 360 CYS A C 1 O78126 UNP 360 C +ATOM 2846 C CB . CYS A 1 360 ? -34.836 46.525 1.757 1.0 37.56 ? 360 CYS A CB 1 O78126 UNP 360 C +ATOM 2847 O O . CYS A 1 360 ? -33.513 44.691 4.117 1.0 37.56 ? 360 CYS A O 1 O78126 UNP 360 C +ATOM 2848 S SG . CYS A 1 360 ? -35.666 46.100 0.206 1.0 37.56 ? 360 CYS A SG 1 O78126 UNP 360 C +ATOM 2849 N N . LYS A 1 361 ? -34.418 43.452 2.470 1.0 37.53 ? 361 LYS A N 1 O78126 UNP 361 K +ATOM 2850 C CA . LYS A 1 361 ? -33.462 42.343 2.469 1.0 37.53 ? 361 LYS A CA 1 O78126 UNP 361 K +ATOM 2851 C C . LYS A 1 361 ? -32.666 42.429 1.165 1.0 37.53 ? 361 LYS A C 1 O78126 UNP 361 K +ATOM 2852 C CB . LYS A 1 361 ? -34.263 41.032 2.598 1.0 37.53 ? 361 LYS A CB 1 O78126 UNP 361 K +ATOM 2853 O O . LYS A 1 361 ? -33.283 42.436 0.101 1.0 37.53 ? 361 LYS A O 1 O78126 UNP 361 K +ATOM 2854 C CG . LYS A 1 361 ? -33.439 39.799 2.999 1.0 37.53 ? 361 LYS A CG 1 O78126 UNP 361 K +ATOM 2855 C CD . LYS A 1 361 ? -34.373 38.583 3.128 1.0 37.53 ? 361 LYS A CD 1 O78126 UNP 361 K +ATOM 2856 C CE . LYS A 1 361 ? -33.624 37.381 3.711 1.0 37.53 ? 361 LYS A CE 1 O78126 UNP 361 K +ATOM 2857 N NZ . LYS A 1 361 ? -34.522 36.213 3.895 1.0 37.53 ? 361 LYS A NZ 1 O78126 UNP 361 K +ATOM 2858 N N . VAL A 1 362 ? -31.342 42.486 1.271 1.0 46.91 ? 362 VAL A N 1 O78126 UNP 362 V +ATOM 2859 C CA . VAL A 1 362 ? -30.372 42.019 0.268 1.0 46.91 ? 362 VAL A CA 1 O78126 UNP 362 V +ATOM 2860 C C . VAL A 1 362 ? -29.399 41.132 1.017 1.0 46.91 ? 362 VAL A C 1 O78126 UNP 362 V +ATOM 2861 C CB . VAL A 1 362 ? -29.654 43.155 -0.475 1.0 46.91 ? 362 VAL A CB 1 O78126 UNP 362 V +ATOM 2862 O O . VAL A 1 362 ? -28.955 41.578 2.099 1.0 46.91 ? 362 VAL A O 1 O78126 UNP 362 V +ATOM 2863 C CG1 . VAL A 1 362 ? -28.613 42.595 -1.455 1.0 46.91 ? 362 VAL A CG1 1 O78126 UNP 362 V +ATOM 2864 C CG2 . VAL A 1 362 ? -30.662 43.975 -1.290 1.0 46.91 ? 362 VAL A CG2 1 O78126 UNP 362 V +ATOM 2865 O OXT . VAL A 1 362 ? -29.257 39.986 0.548 1.0 46.91 ? 362 VAL A OXT 1 O78126 UNP 362 V +# diff --git a/modules/core/dependency/python-ihm/test/input/modbase-model_e224ef5d7f96947a99dd618618021328.cif b/modules/core/dependency/python-ihm/test/input/modbase-model_e224ef5d7f96947a99dd618618021328.cif new file mode 100644 index 0000000000..7bb19cf54c --- /dev/null +++ b/modules/core/dependency/python-ihm/test/input/modbase-model_e224ef5d7f96947a99dd618618021328.cif @@ -0,0 +1,1842 @@ +data_model_e224ef5d7f96947a99dd618618021328 +_entry.id model_e224ef5d7f96947a99dd618618021328 +_struct.entry_id model_e224ef5d7f96947a99dd618618021328 +_struct.pdbx_model_details . +_struct.pdbx_structure_determination_methodology computational +_struct.title 'Model of (No annotation available)' +_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/ba728c4/base/mmcif_ma-core.dic +_audit_conform.dict_name mmcif_ma.dic +_audit_conform.dict_version 1.4.5 +_database_2.database_code e224ef5d7f96947a99dd618618021328 +_database_2.database_id MODBASE +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary +'ModBase, a database of annotated comparative protein structure models and associated resources' +'Nucleic Acids Res' 42 D336 D346 2014 24271400 10.1093/nar/gkt1144 +2 'Comparative protein modelling by satisfaction of spatial restraints.' +'J Mol Biol' 234 779 815 1993 8254673 10.1006/jmbi.1993.1626 +# +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Pieper, U.' 1 +primary 'Webb, B.M.' 2 +primary 'Dong, G.Q.' 3 +primary 'Schneidman-Duhovny, D.' 4 +primary 'Fan, H.' 5 +primary 'Kim, S.J.' 6 +primary 'Khuri, N.' 7 +primary 'Spill, Y.G.' 8 +primary 'Weinkam, P.' 9 +primary 'Hammel, M.' 10 +primary 'Tainer, J.A.' 11 +primary 'Nilges, M.' 12 +primary 'Sali, A.' 13 +2 'Sali, A.' 14 +2 'Blundell, T.L.' 15 +# +# +loop_ +_software.pdbx_ordinal +_software.name +_software.classification +_software.description +_software.version +_software.type +_software.location +_software.citation_id +1 ModPipe 'comparative modeling' 'Comparative modeling pipeline' SVN.r1340:1348M +program https://salilab.org/modpipe/ . +2 MODELLER 'comparative modeling' +'Comparative modeling by satisfaction of spatial restraints' SVN program +https://salilab.org/modeller/ 2 +3 modbase_pdb_to_cif.py 'format conversion' +'Conversion of ModBase PDB and alignment files to mmCIF format' 0.5 program +https://github.com/salilab/modbase_utils . +# +# +loop_ +_ma_software_group.ordinal_id +_ma_software_group.group_id +_ma_software_group.software_id +_ma_software_group.parameter_group_id +1 1 1 . +2 2 2 . +# +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Pieper, U.' 1 +'Webb, B.' 2 +'Narayanan, E.' 3 +'Sali, A.' 4 +# +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.name +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.ma_provenance +ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core' +ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core' +ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core' +ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core' +GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core' +GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core' +GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core' +HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core' +ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core' +LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core' +LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core' +MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core' +PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core' +PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core' +SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core' +THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core' +TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core' +TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core' +VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core' +# +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.details +1 polymer man Target 18607.685 1 . +# +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +1 polypeptide(L) no no A +;LEDGAYRIKQKGILGYSQIGAGVYKEGTFHTMWHVTRGAVLMHKGKRIEPSWADVKKDLISYGGGWKLEG +EWKEGEEVQVLALEPGKNPRAVQTKPGLFKTNAGTIGAVSLDFSPGTSGSPIIDKKGKVVGLYGNGVVTR +SGAYVSAIA +; + +;LEDGAYRIKQKGILGYSQIGAGVYKEGTFHTMWHVTRGAVLMHKGKRIEPSWADVKKDLISYGGGWKLEG +EWKEGEEVQVLALEPGKNPRAVQTKPGLFKTNAGTIGAVSLDFSPGTSGSPIIDKKGKVVGLYGNGVVTR +SGAYVSAIA +; + +# +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 LEU . +1 2 GLU . +1 3 ASP . +1 4 GLY . +1 5 ALA . +1 6 TYR . +1 7 ARG . +1 8 ILE . +1 9 LYS . +1 10 GLN . +1 11 LYS . +1 12 GLY . +1 13 ILE . +1 14 LEU . +1 15 GLY . +1 16 TYR . +1 17 SER . +1 18 GLN . +1 19 ILE . +1 20 GLY . +1 21 ALA . +1 22 GLY . +1 23 VAL . +1 24 TYR . +1 25 LYS . +1 26 GLU . +1 27 GLY . +1 28 THR . +1 29 PHE . +1 30 HIS . +1 31 THR . +1 32 MET . +1 33 TRP . +1 34 HIS . +1 35 VAL . +1 36 THR . +1 37 ARG . +1 38 GLY . +1 39 ALA . +1 40 VAL . +1 41 LEU . +1 42 MET . +1 43 HIS . +1 44 LYS . +1 45 GLY . +1 46 LYS . +1 47 ARG . +1 48 ILE . +1 49 GLU . +1 50 PRO . +1 51 SER . +1 52 TRP . +1 53 ALA . +1 54 ASP . +1 55 VAL . +1 56 LYS . +1 57 LYS . +1 58 ASP . +1 59 LEU . +1 60 ILE . +1 61 SER . +1 62 TYR . +1 63 GLY . +1 64 GLY . +1 65 GLY . +1 66 TRP . +1 67 LYS . +1 68 LEU . +1 69 GLU . +1 70 GLY . +1 71 GLU . +1 72 TRP . +1 73 LYS . +1 74 GLU . +1 75 GLY . +1 76 GLU . +1 77 GLU . +1 78 VAL . +1 79 GLN . +1 80 VAL . +1 81 LEU . +1 82 ALA . +1 83 LEU . +1 84 GLU . +1 85 PRO . +1 86 GLY . +1 87 LYS . +1 88 ASN . +1 89 PRO . +1 90 ARG . +1 91 ALA . +1 92 VAL . +1 93 GLN . +1 94 THR . +1 95 LYS . +1 96 PRO . +1 97 GLY . +1 98 LEU . +1 99 PHE . +1 100 LYS . +1 101 THR . +1 102 ASN . +1 103 ALA . +1 104 GLY . +1 105 THR . +1 106 ILE . +1 107 GLY . +1 108 ALA . +1 109 VAL . +1 110 SER . +1 111 LEU . +1 112 ASP . +1 113 PHE . +1 114 SER . +1 115 PRO . +1 116 GLY . +1 117 THR . +1 118 SER . +1 119 GLY . +1 120 SER . +1 121 PRO . +1 122 ILE . +1 123 ILE . +1 124 ASP . +1 125 LYS . +1 126 LYS . +1 127 GLY . +1 128 LYS . +1 129 VAL . +1 130 VAL . +1 131 GLY . +1 132 LEU . +1 133 TYR . +1 134 GLY . +1 135 ASN . +1 136 GLY . +1 137 VAL . +1 138 VAL . +1 139 THR . +1 140 ARG . +1 141 SER . +1 142 GLY . +1 143 ALA . +1 144 TYR . +1 145 VAL . +1 146 SER . +1 147 ALA . +1 148 ILE . +1 149 ALA . +# +# +loop_ +_struct_asym.id +_struct_asym.entity_id +_struct_asym.details +A 1 'Model subunit' +# +# +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.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 +A 1 1 LEU 148 148 LEU LEU A . +A 1 2 GLU 149 149 GLU GLU A . +A 1 3 ASP 150 150 ASP ASP A . +A 1 4 GLY 151 151 GLY GLY A . +A 1 5 ALA 152 152 ALA ALA A . +A 1 6 TYR 153 153 TYR TYR A . +A 1 7 ARG 154 154 ARG ARG A . +A 1 8 ILE 155 155 ILE ILE A . +A 1 9 LYS 156 156 LYS LYS A . +A 1 10 GLN 157 157 GLN GLN A . +A 1 11 LYS 158 158 LYS LYS A . +A 1 12 GLY 159 159 GLY GLY A . +A 1 13 ILE 160 160 ILE ILE A . +A 1 14 LEU 161 161 LEU LEU A . +A 1 15 GLY 162 162 GLY GLY A . +A 1 16 TYR 163 163 TYR TYR A . +A 1 17 SER 164 164 SER SER A . +A 1 18 GLN 165 165 GLN GLN A . +A 1 19 ILE 166 166 ILE ILE A . +A 1 20 GLY 167 167 GLY GLY A . +A 1 21 ALA 168 168 ALA ALA A . +A 1 22 GLY 169 169 GLY GLY A . +A 1 23 VAL 170 170 VAL VAL A . +A 1 24 TYR 171 171 TYR TYR A . +A 1 25 LYS 172 172 LYS LYS A . +A 1 26 GLU 173 173 GLU GLU A . +A 1 27 GLY 174 174 GLY GLY A . +A 1 28 THR 175 175 THR THR A . +A 1 29 PHE 176 176 PHE PHE A . +A 1 30 HIS 177 177 HIS HIS A . +A 1 31 THR 178 178 THR THR A . +A 1 32 MET 179 179 MET MET A . +A 1 33 TRP 180 180 TRP TRP A . +A 1 34 HIS 181 181 HIS HIS A . +A 1 35 VAL 182 182 VAL VAL A . +A 1 36 THR 183 183 THR THR A . +A 1 37 ARG 184 184 ARG ARG A . +A 1 38 GLY 185 185 GLY GLY A . +A 1 39 ALA 186 186 ALA ALA A . +A 1 40 VAL 187 187 VAL VAL A . +A 1 41 LEU 188 188 LEU LEU A . +A 1 42 MET 189 189 MET MET A . +A 1 43 HIS 190 190 HIS HIS A . +A 1 44 LYS 191 191 LYS LYS A . +A 1 45 GLY 192 192 GLY GLY A . +A 1 46 LYS 193 193 LYS LYS A . +A 1 47 ARG 194 194 ARG ARG A . +A 1 48 ILE 195 195 ILE ILE A . +A 1 49 GLU 196 196 GLU GLU A . +A 1 50 PRO 197 197 PRO PRO A . +A 1 51 SER 198 198 SER SER A . +A 1 52 TRP 199 199 TRP TRP A . +A 1 53 ALA 200 200 ALA ALA A . +A 1 54 ASP 201 201 ASP ASP A . +A 1 55 VAL 202 202 VAL VAL A . +A 1 56 LYS 203 203 LYS LYS A . +A 1 57 LYS 204 204 LYS LYS A . +A 1 58 ASP 205 205 ASP ASP A . +A 1 59 LEU 206 206 LEU LEU A . +A 1 60 ILE 207 207 ILE ILE A . +A 1 61 SER 208 208 SER SER A . +A 1 62 TYR 209 209 TYR TYR A . +A 1 63 GLY 210 210 GLY GLY A . +A 1 64 GLY 211 211 GLY GLY A . +A 1 65 GLY 212 212 GLY GLY A . +A 1 66 TRP 213 213 TRP TRP A . +A 1 67 LYS 214 214 LYS LYS A . +A 1 68 LEU 215 215 LEU LEU A . +A 1 69 GLU 216 216 GLU GLU A . +A 1 70 GLY 217 217 GLY GLY A . +A 1 71 GLU 218 218 GLU GLU A . +A 1 72 TRP 219 219 TRP TRP A . +A 1 73 LYS 220 220 LYS LYS A . +A 1 74 GLU 221 221 GLU GLU A . +A 1 75 GLY 222 222 GLY GLY A . +A 1 76 GLU 223 223 GLU GLU A . +A 1 77 GLU 224 224 GLU GLU A . +A 1 78 VAL 225 225 VAL VAL A . +A 1 79 GLN 226 226 GLN GLN A . +A 1 80 VAL 227 227 VAL VAL A . +A 1 81 LEU 228 228 LEU LEU A . +A 1 82 ALA 229 229 ALA ALA A . +A 1 83 LEU 230 230 LEU LEU A . +A 1 84 GLU 231 231 GLU GLU A . +A 1 85 PRO 232 232 PRO PRO A . +A 1 86 GLY 233 233 GLY GLY A . +A 1 87 LYS 234 234 LYS LYS A . +A 1 88 ASN 235 235 ASN ASN A . +A 1 89 PRO 236 236 PRO PRO A . +A 1 90 ARG 237 237 ARG ARG A . +A 1 91 ALA 238 238 ALA ALA A . +A 1 92 VAL 239 239 VAL VAL A . +A 1 93 GLN 240 240 GLN GLN A . +A 1 94 THR 241 241 THR THR A . +A 1 95 LYS 242 242 LYS LYS A . +A 1 96 PRO 243 243 PRO PRO A . +A 1 97 GLY 244 244 GLY GLY A . +A 1 98 LEU 245 245 LEU LEU A . +A 1 99 PHE 246 246 PHE PHE A . +A 1 100 LYS 247 247 LYS LYS A . +A 1 101 THR 248 248 THR THR A . +A 1 102 ASN 249 249 ASN ASN A . +A 1 103 ALA 250 250 ALA ALA A . +A 1 104 GLY 251 251 GLY GLY A . +A 1 105 THR 252 252 THR THR A . +A 1 106 ILE 253 253 ILE ILE A . +A 1 107 GLY 254 254 GLY GLY A . +A 1 108 ALA 255 255 ALA ALA A . +A 1 109 VAL 256 256 VAL VAL A . +A 1 110 SER 257 257 SER SER A . +A 1 111 LEU 258 258 LEU LEU A . +A 1 112 ASP 259 259 ASP ASP A . +A 1 113 PHE 260 260 PHE PHE A . +A 1 114 SER 261 261 SER SER A . +A 1 115 PRO 262 262 PRO PRO A . +A 1 116 GLY 263 263 GLY GLY A . +A 1 117 THR 264 264 THR THR A . +A 1 118 SER 265 265 SER SER A . +A 1 119 GLY 266 266 GLY GLY A . +A 1 120 SER 267 267 SER SER A . +A 1 121 PRO 268 268 PRO PRO A . +A 1 122 ILE 269 269 ILE ILE A . +A 1 123 ILE 270 270 ILE ILE A . +A 1 124 ASP 271 271 ASP ASP A . +A 1 125 LYS 272 272 LYS LYS A . +A 1 126 LYS 273 273 LYS LYS A . +A 1 127 GLY 274 274 GLY GLY A . +A 1 128 LYS 275 275 LYS LYS A . +A 1 129 VAL 276 276 VAL VAL A . +A 1 130 VAL 277 277 VAL VAL A . +A 1 131 GLY 278 278 GLY GLY A . +A 1 132 LEU 279 279 LEU LEU A . +A 1 133 TYR 280 280 TYR TYR A . +A 1 134 GLY 281 281 GLY GLY A . +A 1 135 ASN 282 282 ASN ASN A . +A 1 136 GLY 283 283 GLY GLY A . +A 1 137 VAL 284 284 VAL VAL A . +A 1 138 VAL 285 285 VAL VAL A . +A 1 139 THR 286 286 THR THR A . +A 1 140 ARG 287 287 ARG ARG A . +A 1 141 SER 288 288 SER SER A . +A 1 142 GLY 289 289 GLY GLY A . +A 1 143 ALA 290 290 ALA ALA A . +A 1 144 TYR 291 291 TYR TYR A . +A 1 145 VAL 292 292 VAL VAL A . +A 1 146 SER 293 293 SER SER A . +A 1 147 ALA 294 294 ALA ALA A . +A 1 148 ILE 295 295 ILE ILE A . +A 1 149 ALA 296 296 ALA ALA A . +# +# +loop_ +_ma_data.id +_ma_data.name +_ma_data.content_type +_ma_data.content_type_other_details +1 'Template structure' 'template structure' . +2 Target target . +3 'Target Template Alignment' 'target-template alignment' . +4 'Target Structure' 'model coordinates' . +5 'ModPipe sequence and structure database' 'reference database' . +# +# +loop_ +_ma_data_group.ordinal_id +_ma_data_group.group_id +_ma_data_group.data_id +1 1 2 +2 1 5 +3 2 3 +4 2 2 +5 2 1 +6 3 4 +7 4 3 +# +# +loop_ +_ma_data_ref_db.data_id +_ma_data_ref_db.name +_ma_data_ref_db.location_url +_ma_data_ref_db.version +_ma_data_ref_db.release_date +5 'ModPipe sequence and structure database' +https://salilab.org/modpipe/doc/databases.html . . +# +# +loop_ +_ma_target_entity.entity_id +_ma_target_entity.data_id +_ma_target_entity.origin +1 2 designed +# +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.entity_id +_ma_target_entity_instance.details +A 1 'Model subunit' +# +# +loop_ +_ma_template_trans_matrix.id +_ma_template_trans_matrix.rot_matrix[1][1] +_ma_template_trans_matrix.rot_matrix[2][1] +_ma_template_trans_matrix.rot_matrix[3][1] +_ma_template_trans_matrix.rot_matrix[1][2] +_ma_template_trans_matrix.rot_matrix[2][2] +_ma_template_trans_matrix.rot_matrix[3][2] +_ma_template_trans_matrix.rot_matrix[1][3] +_ma_template_trans_matrix.rot_matrix[2][3] +_ma_template_trans_matrix.rot_matrix[3][3] +_ma_template_trans_matrix.tr_vector[1] +_ma_template_trans_matrix.tr_vector[2] +_ma_template_trans_matrix.tr_vector[3] +1 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 +1.000000 0 0 0 +# +# +loop_ +_ma_template_details.ordinal_id +_ma_template_details.template_id +_ma_template_details.template_origin +_ma_template_details.template_entity_type +_ma_template_details.template_trans_matrix_id +_ma_template_details.template_data_id +_ma_template_details.target_asym_id +_ma_template_details.template_label_asym_id +_ma_template_details.template_label_entity_id +_ma_template_details.template_model_num +_ma_template_details.template_auth_asym_id +1 1 'reference database' polymer 1 1 A B 2 1 B +# +# +loop_ +_ma_template_poly.template_id +_ma_template_poly.seq_one_letter_code +_ma_template_poly.seq_one_letter_code_can +1 +;LEDGAYRIKQKGILGYSQIGAGVYKEGTFHTMWHVTRGAVLMHKGKRIEPSWADVKKDLISYGGGWKLEG +EWKEGEEVQVLALEPGKNPRAVQTKPGLFKTNTGTIGAVSLDFSPGTSGSPIVDKKGKVVGLYGNGVVTR +SGAYVSAIA +; + +;LEDGAYRIKQKGILGYSQIGAGVYKEGTFHTMWHVTRGAVLMHKGKRIEPSWADVKKDLISYGGGWKLEG +EWKEGEEVQVLALEPGKNPRAVQTKPGLFKTNTGTIGAVSLDFSPGTSGSPIVDKKGKVVGLYGNGVVTR +SGAYVSAIA +; + +# +# +loop_ +_ma_template_poly_segment.id +_ma_template_poly_segment.template_id +_ma_template_poly_segment.residue_number_begin +_ma_template_poly_segment.residue_number_end +1 1 18 166 +# +# +loop_ +_ma_template_ref_db_details.template_id +_ma_template_ref_db_details.db_name +_ma_template_ref_db_details.db_name_other_details +_ma_template_ref_db_details.db_accession_code +_ma_template_ref_db_details.db_version_date +1 PDB . 2fom . +# +# +loop_ +_ma_target_template_poly_mapping.id +_ma_target_template_poly_mapping.template_segment_id +_ma_target_template_poly_mapping.target_asym_id +_ma_target_template_poly_mapping.target_seq_id_begin +_ma_target_template_poly_mapping.target_seq_id_end +1 1 A 1 149 +# +# +loop_ +_ma_alignment_info.alignment_id +_ma_alignment_info.data_id +_ma_alignment_info.software_group_id +_ma_alignment_info.alignment_length +_ma_alignment_info.alignment_type +_ma_alignment_info.alignment_mode +1 3 1 149 'target-template pairwise alignment' global +# +# +loop_ +_ma_alignment_details.ordinal_id +_ma_alignment_details.alignment_id +_ma_alignment_details.template_segment_id +_ma_alignment_details.target_asym_id +_ma_alignment_details.score_type +_ma_alignment_details.score_type_other_details +_ma_alignment_details.score_value +_ma_alignment_details.percent_sequence_identity +_ma_alignment_details.sequence_identity_denominator +_ma_alignment_details.sequence_identity_denominator_other_details +1 1 1 A 'BLAST e-value' . 0 99 'Length of the shorter sequence' . +# +# +loop_ +_ma_alignment.ordinal_id +_ma_alignment.alignment_id +_ma_alignment.target_template_flag +_ma_alignment.sequence +1 1 1 +LEDGAYRIKQKGILGYSQIGAGVYKEGTFHTMWHVTRGAVLMHKGKRIEPSWADVKKDLISYGGGWKLEGEWKEGEEVQVLALEPGKNPRAVQTKPGLFKTNAGTIGAVSLDFSPGTSGSPIIDKKGKVVGLYGNGVVTRSGAYVSAIA +2 1 2 +LEDGAYRIKQKGILGYSQIGAGVYKEGTFHTMWHVTRGAVLMHKGKRIEPSWADVKKDLISYGGGWKLEGEWKEGEEVQVLALEPGKNPRAVQTKPGLFKTNTGTIGAVSLDFSPGTSGSPIVDKKGKVVGLYGNGVVTRSGAYVSAIA +# +# +loop_ +_ma_protocol_step.ordinal_id +_ma_protocol_step.protocol_id +_ma_protocol_step.step_id +_ma_protocol_step.method_type +_ma_protocol_step.step_name +_ma_protocol_step.details +_ma_protocol_step.software_group_id +_ma_protocol_step.input_data_group_id +_ma_protocol_step.output_data_group_id +1 1 1 'template search' 'ModPipe Seq-Seq (1000)' . 1 1 4 +2 1 2 modeling . . 2 2 3 +3 1 3 'model selection' . . 1 3 3 +# +# +loop_ +_ma_model_list.ordinal_id +_ma_model_list.model_id +_ma_model_list.model_group_id +_ma_model_list.model_name +_ma_model_list.model_group_name +_ma_model_list.data_id +_ma_model_list.model_type +_ma_model_list.model_type_other_details +1 1 1 'Target Structure' 'All models' 4 'Homology model' . +# +# +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_seq_id +_atom_site.auth_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.label_entity_id +_atom_site.auth_asym_id +_atom_site.auth_comp_id +_atom_site.B_iso_or_equiv +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . LEU 1 148 ? A 14.392 -14.974 2.935 0.50 1 A LEU 76.17 1 +ATOM 2 C CA . LEU 1 148 ? A 13.400 -16.010 3.294 0.50 1 A LEU 76.17 1 +ATOM 3 C CB . LEU 1 148 ? A 12.230 -15.408 4.092 0.50 1 A LEU 76.17 1 +ATOM 4 C CG . LEU 1 148 ? A 12.608 -14.902 5.497 0.50 1 A LEU 76.17 1 +ATOM 5 C CD1 . LEU 1 148 ? A 13.595 -13.725 5.437 0.50 1 A LEU 76.17 1 +ATOM 6 C CD2 . LEU 1 148 ? A 11.349 -14.576 6.318 0.50 1 A LEU 76.17 1 +ATOM 7 C C . LEU 1 148 ? A 12.845 -16.667 2.077 0.50 1 A LEU 76.17 1 +ATOM 8 O O . LEU 1 148 ? A 12.573 -16.017 1.069 0.50 1 A LEU 76.17 1 +ATOM 9 N N . GLU 2 149 ? A 12.695 -18.003 2.138 1.00 1 A GLU 81.69 1 +ATOM 10 C CA . GLU 2 149 ? A 12.152 -18.721 1.027 1.00 1 A GLU 81.69 1 +ATOM 11 C CB . GLU 2 149 ? A 12.703 -20.150 0.884 1.00 1 A GLU 81.69 1 +ATOM 12 C CG . GLU 2 149 ? A 14.176 -20.155 0.465 1.00 1 A GLU 81.69 1 +ATOM 13 C CD . GLU 2 149 ? A 14.648 -21.596 0.343 1.00 1 A GLU 81.69 1 +ATOM 14 O OE1 . GLU 2 149 ? A 14.968 -22.208 1.397 1.00 1 A GLU 81.69 1 +ATOM 15 O OE2 . GLU 2 149 ? A 14.697 -22.104 -0.809 1.00 1 A GLU 81.69 1 +ATOM 16 C C . GLU 2 149 ? A 10.672 -18.787 1.191 1.00 1 A GLU 81.69 1 +ATOM 17 O O . GLU 2 149 ? A 10.146 -18.595 2.288 1.00 1 A GLU 81.69 1 +ATOM 18 N N . ASP 3 150 ? A 9.956 -19.046 0.082 1.00 1 A ASP 26.85 1 +ATOM 19 C CA . ASP 3 150 ? A 8.530 -19.095 0.161 1.00 1 A ASP 26.85 1 +ATOM 20 C CB . ASP 3 150 ? A 7.831 -19.185 -1.207 1.00 1 A ASP 26.85 1 +ATOM 21 C CG . ASP 3 150 ? A 8.000 -17.846 -1.915 1.00 1 A ASP 26.85 1 +ATOM 22 O OD1 . ASP 3 150 ? A 8.597 -16.922 -1.301 1.00 1 A ASP 26.85 1 +ATOM 23 O OD2 . ASP 3 150 ? A 7.529 -17.729 -3.078 1.00 1 A ASP 26.85 1 +ATOM 24 C C . ASP 3 150 ? A 8.149 -20.298 0.958 1.00 1 A ASP 26.85 1 +ATOM 25 O O . ASP 3 150 ? A 8.856 -21.305 0.958 1.00 1 A ASP 26.85 1 +ATOM 26 N N . GLY 4 151 ? A 7.017 -20.208 1.687 1.00 1 A GLY 17.69 1 +ATOM 27 C CA . GLY 4 151 ? A 6.584 -21.335 2.459 1.00 1 A GLY 17.69 1 +ATOM 28 C C . GLY 4 151 ? A 5.769 -20.853 3.618 1.00 1 A GLY 17.69 1 +ATOM 29 O O . GLY 4 151 ? A 5.498 -19.660 3.758 1.00 1 A GLY 17.69 1 +ATOM 30 N N . ALA 5 152 ? A 5.352 -21.800 4.486 1.00 1 A ALA 35.74 1 +ATOM 31 C CA . ALA 5 152 ? A 4.580 -21.471 5.651 1.00 1 A ALA 35.74 1 +ATOM 32 C CB . ALA 5 152 ? A 3.451 -22.473 5.953 1.00 1 A ALA 35.74 1 +ATOM 33 C C . ALA 5 152 ? A 5.522 -21.499 6.815 1.00 1 A ALA 35.74 1 +ATOM 34 O O . ALA 5 152 ? A 6.357 -22.397 6.924 1.00 1 A ALA 35.74 1 +ATOM 35 N N . TYR 6 153 ? A 5.409 -20.504 7.721 1.00 1 A TYR 67.72 1 +ATOM 36 C CA . TYR 6 153 ? A 6.328 -20.409 8.820 1.00 1 A TYR 67.72 1 +ATOM 37 C CB . TYR 6 153 ? A 7.267 -19.189 8.738 1.00 1 A TYR 67.72 1 +ATOM 38 C CG . TYR 6 153 ? A 8.246 -19.370 7.627 1.00 1 A TYR 67.72 1 +ATOM 39 C CD1 . TYR 6 153 ? A 7.892 -19.146 6.315 1.00 1 A TYR 67.72 1 +ATOM 40 C CD2 . TYR 6 153 ? A 9.537 -19.750 7.909 1.00 1 A TYR 67.72 1 +ATOM 41 C CE1 . TYR 6 153 ? A 8.811 -19.311 5.304 1.00 1 A TYR 67.72 1 +ATOM 42 C CE2 . TYR 6 153 ? A 10.460 -19.916 6.903 1.00 1 A TYR 67.72 1 +ATOM 43 C CZ . TYR 6 153 ? A 10.097 -19.697 5.597 1.00 1 A TYR 67.72 1 +ATOM 44 O OH . TYR 6 153 ? A 11.044 -19.867 4.565 1.00 1 A TYR 67.72 1 +ATOM 45 C C . TYR 6 153 ? A 5.588 -20.249 10.112 1.00 1 A TYR 67.72 1 +ATOM 46 O O . TYR 6 153 ? A 4.429 -19.840 10.150 1.00 1 A TYR 67.72 1 +ATOM 47 N N . ARG 7 154 ? A 6.260 -20.631 11.218 1.00 1 A ARG 105.50 1 +ATOM 48 C CA . ARG 7 154 ? A 5.742 -20.435 12.542 1.00 1 A ARG 105.50 1 +ATOM 49 C CB . ARG 7 154 ? A 6.179 -21.519 13.540 1.00 1 A ARG 105.50 1 +ATOM 50 C CG . ARG 7 154 ? A 5.538 -22.880 13.277 1.00 1 A ARG 105.50 1 +ATOM 51 C CD . ARG 7 154 ? A 6.048 -23.980 14.207 1.00 1 A ARG 105.50 1 +ATOM 52 N NE . ARG 7 154 ? A 5.295 -25.218 13.870 1.00 1 A ARG 105.50 1 +ATOM 53 C CZ . ARG 7 154 ? A 5.671 -25.950 12.783 1.00 1 A ARG 105.50 1 +ATOM 54 N NH1 . ARG 7 154 ? A 6.681 -25.497 11.986 1.00 1 A ARG 105.50 1 +ATOM 55 N NH2 . ARG 7 154 ? A 5.033 -27.120 12.492 1.00 1 A ARG 105.50 1 +ATOM 56 C C . ARG 7 154 ? A 6.308 -19.140 13.034 1.00 1 A ARG 105.50 1 +ATOM 57 O O . ARG 7 154 ? A 7.380 -18.722 12.601 1.00 1 A ARG 105.50 1 +ATOM 58 N N . ILE 8 155 ? A 5.578 -18.452 13.935 1.00 1 A ILE 49.99 1 +ATOM 59 C CA . ILE 8 155 ? A 6.078 -17.245 14.531 1.00 1 A ILE 49.99 1 +ATOM 60 C CB . ILE 8 155 ? A 5.126 -16.087 14.424 1.00 1 A ILE 49.99 1 +ATOM 61 C CG2 . ILE 8 155 ? A 5.691 -14.918 15.249 1.00 1 A ILE 49.99 1 +ATOM 62 C CG1 . ILE 8 155 ? A 4.874 -15.737 12.947 1.00 1 A ILE 49.99 1 +ATOM 63 C CD1 . ILE 8 155 ? A 3.714 -14.764 12.738 1.00 1 A ILE 49.99 1 +ATOM 64 C C . ILE 8 155 ? A 6.237 -17.564 15.985 1.00 1 A ILE 49.99 1 +ATOM 65 O O . ILE 8 155 ? A 5.275 -17.969 16.638 1.00 1 A ILE 49.99 1 +ATOM 66 N N . LYS 9 156 ? A 7.465 -17.407 16.526 1.00 1 A LYS 67.42 1 +ATOM 67 C CA . LYS 9 156 ? A 7.701 -17.747 17.906 1.00 1 A LYS 67.42 1 +ATOM 68 C CB . LYS 9 156 ? A 8.745 -18.862 18.090 1.00 1 A LYS 67.42 1 +ATOM 69 C CG . LYS 9 156 ? A 8.316 -20.202 17.492 1.00 1 A LYS 67.42 1 +ATOM 70 C CD . LYS 9 156 ? A 9.459 -21.210 17.361 1.00 1 A LYS 67.42 1 +ATOM 71 C CE . LYS 9 156 ? A 9.058 -22.496 16.636 1.00 1 A LYS 67.42 1 +ATOM 72 N NZ . LYS 9 156 ? A 8.057 -23.239 17.433 1.00 1 A LYS 67.42 1 +ATOM 73 C C . LYS 9 156 ? A 8.231 -16.543 18.615 1.00 1 A LYS 67.42 1 +ATOM 74 O O . LYS 9 156 ? A 9.088 -15.827 18.098 1.00 1 A LYS 67.42 1 +ATOM 75 N N . GLN 10 157 ? A 7.732 -16.293 19.843 1.00 1 A GLN 86.93 1 +ATOM 76 C CA . GLN 10 157 ? A 8.197 -15.159 20.590 1.00 1 A GLN 86.93 1 +ATOM 77 C CB . GLN 10 157 ? A 7.077 -14.285 21.178 1.00 1 A GLN 86.93 1 +ATOM 78 C CG . GLN 10 157 ? A 6.363 -13.408 20.156 1.00 1 A GLN 86.93 1 +ATOM 79 C CD . GLN 10 157 ? A 5.299 -12.616 20.901 1.00 1 A GLN 86.93 1 +ATOM 80 O OE1 . GLN 10 157 ? A 4.315 -13.175 21.383 1.00 1 A GLN 86.93 1 +ATOM 81 N NE2 . GLN 10 157 ? A 5.501 -11.276 21.005 1.00 1 A GLN 86.93 1 +ATOM 82 C C . GLN 10 157 ? A 8.981 -15.648 21.758 1.00 1 A GLN 86.93 1 +ATOM 83 O O . GLN 10 157 ? A 8.641 -16.652 22.379 1.00 1 A GLN 86.93 1 +ATOM 84 N N . LYS 11 158 ? A 10.076 -14.934 22.075 1.00 1 A LYS 66.85 1 +ATOM 85 C CA . LYS 11 158 ? A 10.870 -15.295 23.212 1.00 1 A LYS 66.85 1 +ATOM 86 C CB . LYS 11 158 ? A 12.317 -14.781 23.159 1.00 1 A LYS 66.85 1 +ATOM 87 C CG . LYS 11 158 ? A 13.130 -15.184 24.391 1.00 1 A LYS 66.85 1 +ATOM 88 C CD . LYS 11 158 ? A 14.639 -14.977 24.244 1.00 1 A LYS 66.85 1 +ATOM 89 C CE . LYS 11 158 ? A 15.416 -15.229 25.538 1.00 1 A LYS 66.85 1 +ATOM 90 N NZ . LYS 11 158 ? A 15.256 -16.639 25.961 1.00 1 A LYS 66.85 1 +ATOM 91 C C . LYS 11 158 ? A 10.240 -14.689 24.425 1.00 1 A LYS 66.85 1 +ATOM 92 O O . LYS 11 158 ? A 9.640 -13.618 24.366 1.00 1 A LYS 66.85 1 +ATOM 93 N N . GLY 12 159 ? A 10.373 -15.384 25.573 1.00 1 A GLY 16.19 1 +ATOM 94 C CA . GLY 12 159 ? A 9.827 -14.899 26.807 1.00 1 A GLY 16.19 1 +ATOM 95 C C . GLY 12 159 ? A 10.607 -15.532 27.911 1.00 1 A GLY 16.19 1 +ATOM 96 O O . GLY 12 159 ? A 11.511 -16.333 27.673 1.00 1 A GLY 16.19 1 +ATOM 97 N N . ILE 13 160 ? A 10.255 -15.186 29.163 1.00 1 A ILE 25.59 1 +ATOM 98 C CA . ILE 13 160 ? A 10.960 -15.690 30.303 1.00 1 A ILE 25.59 1 +ATOM 99 C CB . ILE 13 160 ? A 10.439 -15.125 31.596 1.00 1 A ILE 25.59 1 +ATOM 100 C CG2 . ILE 13 160 ? A 10.679 -13.606 31.573 1.00 1 A ILE 25.59 1 +ATOM 101 C CG1 . ILE 13 160 ? A 8.967 -15.513 31.819 1.00 1 A ILE 25.59 1 +ATOM 102 C CD1 . ILE 13 160 ? A 8.463 -15.230 33.235 1.00 1 A ILE 25.59 1 +ATOM 103 C C . ILE 13 160 ? A 10.809 -17.177 30.343 1.00 1 A ILE 25.59 1 +ATOM 104 O O . ILE 13 160 ? A 11.777 -17.899 30.578 1.00 1 A ILE 25.59 1 +ATOM 105 N N . LEU 14 161 ? A 9.582 -17.675 30.110 1.00 1 A LEU 40.90 1 +ATOM 106 C CA . LEU 14 161 ? A 9.343 -19.088 30.166 1.00 1 A LEU 40.90 1 +ATOM 107 C CB . LEU 14 161 ? A 7.853 -19.447 30.039 1.00 1 A LEU 40.90 1 +ATOM 108 C CG . LEU 14 161 ? A 7.008 -18.914 31.211 1.00 1 A LEU 40.90 1 +ATOM 109 C CD1 . LEU 14 161 ? A 5.549 -19.385 31.113 1.00 1 A LEU 40.90 1 +ATOM 110 C CD2 . LEU 14 161 ? A 7.655 -19.252 32.563 1.00 1 A LEU 40.90 1 +ATOM 111 C C . LEU 14 161 ? A 10.085 -19.760 29.056 1.00 1 A LEU 40.90 1 +ATOM 112 O O . LEU 14 161 ? A 10.679 -20.820 29.244 1.00 1 A LEU 40.90 1 +ATOM 113 N N . GLY 15 162 ? A 10.083 -19.158 27.855 1.00 1 A GLY 41.82 1 +ATOM 114 C CA . GLY 15 162 ? A 10.754 -19.786 26.754 1.00 1 A GLY 41.82 1 +ATOM 115 C C . GLY 15 162 ? A 10.116 -19.258 25.510 1.00 1 A GLY 41.82 1 +ATOM 116 O O . GLY 15 162 ? A 9.493 -18.199 25.535 1.00 1 A GLY 41.82 1 +ATOM 117 N N . TYR 16 163 ? A 10.268 -19.988 24.383 1.00 1 A TYR 52.91 1 +ATOM 118 C CA . TYR 16 163 ? A 9.695 -19.572 23.133 1.00 1 A TYR 52.91 1 +ATOM 119 C CB . TYR 16 163 ? A 10.461 -20.074 21.897 1.00 1 A TYR 52.91 1 +ATOM 120 C CG . TYR 16 163 ? A 11.783 -19.389 21.880 1.00 1 A TYR 52.91 1 +ATOM 121 C CD1 . TYR 16 163 ? A 11.920 -18.161 21.277 1.00 1 A TYR 52.91 1 +ATOM 122 C CD2 . TYR 16 163 ? A 12.881 -19.970 22.473 1.00 1 A TYR 52.91 1 +ATOM 123 C CE1 . TYR 16 163 ? A 13.140 -17.525 21.257 1.00 1 A TYR 52.91 1 +ATOM 124 C CE2 . TYR 16 163 ? A 14.102 -19.338 22.456 1.00 1 A TYR 52.91 1 +ATOM 125 C CZ . TYR 16 163 ? A 14.232 -18.112 21.849 1.00 1 A TYR 52.91 1 +ATOM 126 O OH . TYR 16 163 ? A 15.483 -17.460 21.831 1.00 1 A TYR 52.91 1 +ATOM 127 C C . TYR 16 163 ? A 8.322 -20.142 23.046 1.00 1 A TYR 52.91 1 +ATOM 128 O O . TYR 16 163 ? A 8.100 -21.308 23.364 1.00 1 A TYR 52.91 1 +ATOM 129 N N . SER 17 164 ? A 7.353 -19.303 22.639 1.00 1 A SER 36.84 1 +ATOM 130 C CA . SER 17 164 ? A 6.012 -19.777 22.478 1.00 1 A SER 36.84 1 +ATOM 131 C CB . SER 17 164 ? A 4.988 -19.071 23.383 1.00 1 A SER 36.84 1 +ATOM 132 O OG . SER 17 164 ? A 5.247 -19.369 24.747 1.00 1 A SER 36.84 1 +ATOM 133 C C . SER 17 164 ? A 5.612 -19.488 21.069 1.00 1 A SER 36.84 1 +ATOM 134 O O . SER 17 164 ? A 6.026 -18.488 20.484 1.00 1 A SER 36.84 1 +ATOM 135 N N . GLN 18 165 ? A 4.793 -20.374 20.472 1.00 1 A GLN 69.29 1 +ATOM 136 C CA . GLN 18 165 ? A 4.386 -20.113 19.124 1.00 1 A GLN 69.29 1 +ATOM 137 C CB . GLN 18 165 ? A 4.126 -21.373 18.280 1.00 1 A GLN 69.29 1 +ATOM 138 C CG . GLN 18 165 ? A 3.697 -21.049 16.845 1.00 1 A GLN 69.29 1 +ATOM 139 C CD . GLN 18 165 ? A 3.469 -22.358 16.100 1.00 1 A GLN 69.29 1 +ATOM 140 O OE1 . GLN 18 165 ? A 4.270 -23.286 16.185 1.00 1 A GLN 69.29 1 +ATOM 141 N NE2 . GLN 18 165 ? A 2.339 -22.434 15.345 1.00 1 A GLN 69.29 1 +ATOM 142 C C . GLN 18 165 ? A 3.119 -19.320 19.188 1.00 1 A GLN 69.29 1 +ATOM 143 O O . GLN 18 165 ? A 2.085 -19.796 19.651 1.00 1 A GLN 69.29 1 +ATOM 144 N N . ILE 19 166 ? A 3.243 -18.041 18.798 1.00 1 A ILE 198.15 1 +ATOM 145 C CA . ILE 19 166 ? A 2.245 -17.015 18.703 1.00 1 A ILE 198.15 1 +ATOM 146 C CB . ILE 19 166 ? A 2.893 -15.665 18.614 1.00 1 A ILE 198.15 1 +ATOM 147 C CG2 . ILE 19 166 ? A 3.929 -15.698 17.482 1.00 1 A ILE 198.15 1 +ATOM 148 C CG1 . ILE 19 166 ? A 1.838 -14.558 18.504 1.00 1 A ILE 198.15 1 +ATOM 149 C CD1 . ILE 19 166 ? A 0.982 -14.413 19.760 1.00 1 A ILE 198.15 1 +ATOM 150 C C . ILE 19 166 ? A 1.345 -17.194 17.522 1.00 1 A ILE 198.15 1 +ATOM 151 O O . ILE 19 166 ? A 0.160 -16.868 17.586 1.00 1 A ILE 198.15 1 +ATOM 152 N N . GLY 20 167 ? A 1.897 -17.647 16.380 1.00 1 A GLY 34.93 1 +ATOM 153 C CA . GLY 20 167 ? A 1.068 -17.763 15.218 1.00 1 A GLY 34.93 1 +ATOM 154 C C . GLY 20 167 ? A 1.895 -18.314 14.100 1.00 1 A GLY 34.93 1 +ATOM 155 O O . GLY 20 167 ? A 2.893 -18.997 14.328 1.00 1 A GLY 34.93 1 +ATOM 156 N N . ALA 21 168 ? A 1.470 -18.026 12.850 1.00 1 A ALA 41.55 1 +ATOM 157 C CA . ALA 21 168 ? A 2.133 -18.536 11.681 1.00 1 A ALA 41.55 1 +ATOM 158 C CB . ALA 21 168 ? A 1.607 -19.910 11.228 1.00 1 A ALA 41.55 1 +ATOM 159 C C . ALA 21 168 ? A 1.892 -17.571 10.557 1.00 1 A ALA 41.55 1 +ATOM 160 O O . ALA 21 168 ? A 1.182 -16.582 10.721 1.00 1 A ALA 41.55 1 +ATOM 161 N N . GLY 22 169 ? A 2.515 -17.810 9.381 1.00 1 A GLY 23.39 1 +ATOM 162 C CA . GLY 22 169 ? A 2.295 -16.911 8.279 1.00 1 A GLY 23.39 1 +ATOM 163 C C . GLY 22 169 ? A 2.822 -17.528 7.020 1.00 1 A GLY 23.39 1 +ATOM 164 O O . GLY 22 169 ? A 3.356 -18.636 7.030 1.00 1 A GLY 23.39 1 +ATOM 165 N N . VAL 23 170 ? A 2.676 -16.802 5.888 1.00 1 A VAL 40.20 1 +ATOM 166 C CA . VAL 23 170 ? A 3.102 -17.315 4.617 1.00 1 A VAL 40.20 1 +ATOM 167 C CB . VAL 23 170 ? A 1.964 -17.520 3.658 1.00 1 A VAL 40.20 1 +ATOM 168 C CG1 . VAL 23 170 ? A 2.529 -17.997 2.309 1.00 1 A VAL 40.20 1 +ATOM 169 C CG2 . VAL 23 170 ? A 0.955 -18.488 4.295 1.00 1 A VAL 40.20 1 +ATOM 170 C C . VAL 23 170 ? A 4.026 -16.332 3.968 1.00 1 A VAL 40.20 1 +ATOM 171 O O . VAL 23 170 ? A 3.794 -15.123 3.987 1.00 1 A VAL 40.20 1 +ATOM 172 N N . TYR 24 171 ? A 5.103 -16.846 3.342 1.00 1 A TYR 65.62 1 +ATOM 173 C CA . TYR 24 171 ? A 6.033 -15.978 2.683 0.50 1 A TYR 65.62 1 +ATOM 174 C CB . TYR 24 171 ? A 7.495 -16.281 3.062 0.50 1 A TYR 65.62 1 +ATOM 175 C CG . TYR 24 171 ? A 8.337 -15.100 2.709 0.50 1 A TYR 65.62 1 +ATOM 176 C CD1 . TYR 24 171 ? A 8.788 -14.886 1.428 0.50 1 A TYR 65.62 1 +ATOM 177 C CD2 . TYR 24 171 ? A 8.679 -14.200 3.693 0.50 1 A TYR 65.62 1 +ATOM 178 C CE1 . TYR 24 171 ? A 9.564 -13.786 1.139 0.50 1 A TYR 65.62 1 +ATOM 179 C CE2 . TYR 24 171 ? A 9.453 -13.101 3.411 0.50 1 A TYR 65.62 1 +ATOM 180 C CZ . TYR 24 171 ? A 9.897 -12.892 2.129 0.50 1 A TYR 65.62 1 +ATOM 181 O OH . TYR 24 171 ? A 10.692 -11.766 1.832 0.50 1 A TYR 65.62 1 +ATOM 182 C C . TYR 24 171 ? A 5.851 -16.266 1.226 1.00 1 A TYR 65.62 1 +ATOM 183 O O . TYR 24 171 ? A 5.928 -17.419 0.802 1.00 1 A TYR 65.62 1 +ATOM 184 N N . LYS 25 172 ? A 5.545 -15.222 0.427 1.00 1 A LYS 76.35 1 +ATOM 185 C CA . LYS 25 172 ? A 5.332 -15.419 -0.976 1.00 1 A LYS 76.35 1 +ATOM 186 C CB . LYS 25 172 ? A 3.850 -15.652 -1.314 1.00 1 A LYS 76.35 1 +ATOM 187 C CG . LYS 25 172 ? A 3.553 -15.869 -2.798 1.00 1 A LYS 76.35 1 +ATOM 188 C CD . LYS 25 172 ? A 2.103 -16.291 -3.052 1.00 1 A LYS 76.35 1 +ATOM 189 C CE . LYS 25 172 ? A 1.702 -16.303 -4.528 1.00 1 A LYS 76.35 1 +ATOM 190 N NZ . LYS 25 172 ? A 1.820 -17.670 -5.079 1.00 1 A LYS 76.35 1 +ATOM 191 C C . LYS 25 172 ? A 5.742 -14.173 -1.692 1.00 1 A LYS 76.35 1 +ATOM 192 O O . LYS 25 172 ? A 5.405 -13.065 -1.282 1.00 1 A LYS 76.35 1 +ATOM 193 N N . GLU 26 173 ? A 6.500 -14.335 -2.790 1.00 1 A GLU 57.32 1 +ATOM 194 C CA . GLU 26 173 ? A 6.890 -13.242 -3.631 1.00 1 A GLU 57.32 1 +ATOM 195 C CB . GLU 26 173 ? A 5.713 -12.671 -4.442 1.00 1 A GLU 57.32 1 +ATOM 196 C CG . GLU 26 173 ? A 5.210 -13.625 -5.531 1.00 1 A GLU 57.32 1 +ATOM 197 C CD . GLU 26 173 ? A 3.916 -13.062 -6.104 1.00 1 A GLU 57.32 1 +ATOM 198 O OE1 . GLU 26 173 ? A 2.920 -12.983 -5.335 1.00 1 A GLU 57.32 1 +ATOM 199 O OE2 . GLU 26 173 ? A 3.902 -12.705 -7.313 1.00 1 A GLU 57.32 1 +ATOM 200 C C . GLU 26 173 ? A 7.519 -12.143 -2.829 1.00 1 A GLU 57.32 1 +ATOM 201 O O . GLU 26 173 ? A 7.287 -10.964 -3.095 1.00 1 A GLU 57.32 1 +ATOM 202 N N . GLY 27 174 ? A 8.339 -12.500 -1.823 1.00 1 A GLY 27.38 1 +ATOM 203 C CA . GLY 27 174 ? A 9.102 -11.519 -1.100 1.00 1 A GLY 27.38 1 +ATOM 204 C C . GLY 27 174 ? A 8.313 -10.896 0.013 1.00 1 A GLY 27.38 1 +ATOM 205 O O . GLY 27 174 ? A 8.829 -10.010 0.693 1.00 1 A GLY 27.38 1 +ATOM 206 N N . THR 28 175 ? A 7.058 -11.330 0.251 1.00 1 A THR 35.79 1 +ATOM 207 C CA . THR 28 175 ? A 6.297 -10.697 1.294 1.00 1 A THR 35.79 1 +ATOM 208 C CB . THR 28 175 ? A 5.064 -10.012 0.780 1.00 1 A THR 35.79 1 +ATOM 209 O OG1 . THR 28 175 ? A 5.418 -9.030 -0.184 1.00 1 A THR 35.79 1 +ATOM 210 C CG2 . THR 28 175 ? A 4.330 -9.355 1.960 1.00 1 A THR 35.79 1 +ATOM 211 C C . THR 28 175 ? A 5.847 -11.735 2.280 1.00 1 A THR 35.79 1 +ATOM 212 O O . THR 28 175 ? A 5.538 -12.867 1.910 1.00 1 A THR 35.79 1 +ATOM 213 N N . PHE 29 176 ? A 5.799 -11.356 3.577 1.00 1 A PHE 69.50 1 +ATOM 214 C CA . PHE 29 176 ? A 5.394 -12.251 4.628 1.00 1 A PHE 69.50 1 +ATOM 215 C CB . PHE 29 176 ? A 6.340 -12.181 5.844 1.00 1 A PHE 69.50 1 +ATOM 216 C CG . PHE 29 176 ? A 5.999 -13.251 6.824 1.00 1 A PHE 69.50 1 +ATOM 217 C CD1 . PHE 29 176 ? A 6.247 -14.571 6.525 1.00 1 A PHE 69.50 1 +ATOM 218 C CD2 . PHE 29 176 ? A 5.474 -12.937 8.057 1.00 1 A PHE 69.50 1 +ATOM 219 C CE1 . PHE 29 176 ? A 5.948 -15.567 7.424 1.00 1 A PHE 69.50 1 +ATOM 220 C CE2 . PHE 29 176 ? A 5.176 -13.931 8.959 1.00 1 A PHE 69.50 1 +ATOM 221 C CZ . PHE 29 176 ? A 5.408 -15.247 8.645 1.00 1 A PHE 69.50 1 +ATOM 222 C C . PHE 29 176 ? A 4.020 -11.820 5.055 1.00 1 A PHE 69.50 1 +ATOM 223 O O . PHE 29 176 ? A 3.786 -10.639 5.310 1.00 1 A PHE 69.50 1 +ATOM 224 N N . HIS 30 177 ? A 3.071 -12.778 5.145 1.00 1 A HIS 66.30 1 +ATOM 225 C CA . HIS 30 177 ? A 1.705 -12.442 5.446 1.00 1 A HIS 66.30 1 +ATOM 226 N ND1 . HIS 30 177 ? A 2.103 -12.992 2.230 1.00 1 A HIS 66.30 1 +ATOM 227 C CG . HIS 30 177 ? A 1.086 -12.458 2.990 1.00 1 A HIS 66.30 1 +ATOM 228 C CB . HIS 30 177 ? A 0.730 -12.940 4.365 1.00 1 A HIS 66.30 1 +ATOM 229 N NE2 . HIS 30 177 ? A 1.188 -11.371 1.015 1.00 1 A HIS 66.30 1 +ATOM 230 C CD2 . HIS 30 177 ? A 0.538 -11.469 2.232 1.00 1 A HIS 66.30 1 +ATOM 231 C CE1 . HIS 30 177 ? A 2.120 -12.306 1.059 1.00 1 A HIS 66.30 1 +ATOM 232 C C . HIS 30 177 ? A 1.310 -13.123 6.724 1.00 1 A HIS 66.30 1 +ATOM 233 O O . HIS 30 177 ? A 1.584 -14.307 6.910 1.00 1 A HIS 66.30 1 +ATOM 234 N N . THR 31 178 ? A 0.639 -12.382 7.637 1.00 1 A THR 92.30 1 +ATOM 235 C CA . THR 31 178 ? A 0.262 -12.933 8.913 1.00 1 A THR 92.30 1 +ATOM 236 C CB . THR 31 178 ? A 1.327 -12.656 9.947 1.00 1 A THR 92.30 1 +ATOM 237 O OG1 . THR 31 178 ? A 2.586 -13.043 9.434 1.00 1 A THR 92.30 1 +ATOM 238 C CG2 . THR 31 178 ? A 1.097 -13.484 11.217 1.00 1 A THR 92.30 1 +ATOM 239 C C . THR 31 178 ? A -0.982 -12.202 9.349 1.00 1 A THR 92.30 1 +ATOM 240 O O . THR 31 178 ? A -1.561 -11.423 8.592 1.00 1 A THR 92.30 1 +ATOM 241 N N . MET 32 179 ? A -1.427 -12.440 10.601 1.00 1 A MET 63.38 1 +ATOM 242 C CA . MET 32 179 ? A -2.606 -11.811 11.111 1.00 1 A MET 63.38 1 +ATOM 243 C CB . MET 32 179 ? A -3.466 -12.762 11.957 1.00 1 A MET 63.38 1 +ATOM 244 C CG . MET 32 179 ? A -3.836 -14.043 11.205 1.00 1 A MET 63.38 1 +ATOM 245 S SD . MET 32 179 ? A -4.704 -13.783 9.629 1.00 1 A MET 63.38 1 +ATOM 246 C CE . MET 32 179 ? A -6.321 -13.445 10.379 1.00 1 A MET 63.38 1 +ATOM 247 C C . MET 32 179 ? A -2.185 -10.669 11.984 1.00 1 A MET 63.38 1 +ATOM 248 O O . MET 32 179 ? A -1.175 -10.731 12.684 1.00 1 A MET 63.38 1 +ATOM 249 N N . TRP 33 180 ? A -2.981 -9.584 11.958 1.00 1 A TRP 63.57 1 +ATOM 250 C CA . TRP 33 180 ? A -2.699 -8.394 12.709 1.00 1 A TRP 63.57 1 +ATOM 251 C CB . TRP 33 180 ? A -3.742 -7.288 12.472 1.00 1 A TRP 63.57 1 +ATOM 252 C CG . TRP 33 180 ? A -3.592 -6.088 13.375 1.00 1 A TRP 63.57 1 +ATOM 253 C CD2 . TRP 33 180 ? A -2.657 -5.015 13.178 1.00 1 A TRP 63.57 1 +ATOM 254 C CD1 . TRP 33 180 ? A -4.273 -5.799 14.521 1.00 1 A TRP 63.57 1 +ATOM 255 N NE1 . TRP 33 180 ? A -3.826 -4.613 15.049 1.00 1 A TRP 63.57 1 +ATOM 256 C CE2 . TRP 33 180 ? A -2.828 -4.121 14.235 1.00 1 A TRP 63.57 1 +ATOM 257 C CE3 . TRP 33 180 ? A -1.728 -4.794 12.202 1.00 1 A TRP 63.57 1 +ATOM 258 C CZ2 . TRP 33 180 ? A -2.073 -2.987 14.331 1.00 1 A TRP 63.57 1 +ATOM 259 C CZ3 . TRP 33 180 ? A -0.970 -3.649 12.302 1.00 1 A TRP 63.57 1 +ATOM 260 C CH2 . TRP 33 180 ? A -1.138 -2.762 13.346 1.00 1 A TRP 63.57 1 +ATOM 261 C C . TRP 33 180 ? A -2.676 -8.710 14.173 1.00 1 A TRP 63.57 1 +ATOM 262 O O . TRP 33 180 ? A -1.798 -8.244 14.898 1.00 1 A TRP 63.57 1 +ATOM 263 N N . HIS 34 181 ? A -3.623 -9.535 14.652 1.00 1 A HIS 65.89 1 +ATOM 264 C CA . HIS 34 181 ? A -3.712 -9.792 16.062 1.00 1 A HIS 65.89 1 +ATOM 265 N ND1 . HIS 34 181 ? A -5.295 -12.633 14.913 1.00 1 A HIS 65.89 1 +ATOM 266 C CG . HIS 34 181 ? A -4.834 -12.103 16.096 1.00 1 A HIS 65.89 1 +ATOM 267 C CB . HIS 34 181 ? A -4.926 -10.653 16.472 1.00 1 A HIS 65.89 1 +ATOM 268 N NE2 . HIS 34 181 ? A -4.459 -14.329 16.082 1.00 1 A HIS 65.89 1 +ATOM 269 C CD2 . HIS 34 181 ? A -4.325 -13.153 16.798 1.00 1 A HIS 65.89 1 +ATOM 270 C CE1 . HIS 34 181 ? A -5.046 -13.967 14.957 1.00 1 A HIS 65.89 1 +ATOM 271 C C . HIS 34 181 ? A -2.463 -10.468 16.538 1.00 1 A HIS 65.89 1 +ATOM 272 O O . HIS 34 181 ? A -2.068 -10.302 17.691 1.00 1 A HIS 65.89 1 +ATOM 273 N N . VAL 35 182 ? A -1.831 -11.296 15.687 1.00 1 A VAL 69.82 1 +ATOM 274 C CA . VAL 35 182 ? A -0.662 -12.004 16.125 1.00 1 A VAL 69.82 1 +ATOM 275 C CB . VAL 35 182 ? A -0.134 -12.920 15.058 1.00 1 A VAL 69.82 1 +ATOM 276 C CG1 . VAL 35 182 ? A 1.140 -13.607 15.576 1.00 1 A VAL 69.82 1 +ATOM 277 C CG2 . VAL 35 182 ? A -1.252 -13.888 14.643 1.00 1 A VAL 69.82 1 +ATOM 278 C C . VAL 35 182 ? A 0.470 -11.072 16.474 1.00 1 A VAL 69.82 1 +ATOM 279 O O . VAL 35 182 ? A 0.943 -11.078 17.609 1.00 1 A VAL 69.82 1 +ATOM 280 N N . THR 36 183 ? A 0.961 -10.297 15.479 1.00 1 A THR 79.84 1 +ATOM 281 C CA . THR 36 183 ? A 2.095 -9.410 15.605 1.00 1 A THR 79.84 1 +ATOM 282 C CB . THR 36 183 ? A 2.802 -9.213 14.297 1.00 1 A THR 79.84 1 +ATOM 283 O OG1 . THR 36 183 ? A 1.938 -8.585 13.361 1.00 1 A THR 79.84 1 +ATOM 284 C CG2 . THR 36 183 ? A 3.240 -10.592 13.774 1.00 1 A THR 79.84 1 +ATOM 285 C C . THR 36 183 ? A 1.785 -8.053 16.159 1.00 1 A THR 79.84 1 +ATOM 286 O O . THR 36 183 ? A 2.591 -7.471 16.884 1.00 1 A THR 79.84 1 +ATOM 287 N N . ARG 37 184 ? A 0.618 -7.492 15.802 1.00 1 A ARG 149.53 1 +ATOM 288 C CA . ARG 37 184 ? A 0.288 -6.149 16.187 0.33 1 A ARG 149.53 1 +ATOM 289 C CB . ARG 37 184 ? A 0.244 -5.912 17.705 0.33 1 A ARG 149.53 1 +ATOM 290 C CG . ARG 37 184 ? A -0.973 -6.538 18.385 0.33 1 A ARG 149.53 1 +ATOM 291 C CD . ARG 37 184 ? A -1.278 -5.898 19.739 0.33 1 A ARG 149.53 1 +ATOM 292 N NE . ARG 37 184 ? A -1.272 -4.424 19.517 0.33 1 A ARG 149.53 1 +ATOM 293 C CZ . ARG 37 184 ? A -2.386 -3.791 19.045 0.33 1 A ARG 149.53 1 +ATOM 294 N NH1 . ARG 37 184 ? A -3.525 -4.503 18.805 0.33 1 A ARG 149.53 1 +ATOM 295 N NH2 . ARG 37 184 ? A -2.356 -2.447 18.810 0.33 1 A ARG 149.53 1 +ATOM 296 C C . ARG 37 184 ? A 1.274 -5.187 15.587 1.00 1 A ARG 149.53 1 +ATOM 297 O O . ARG 37 184 ? A 1.490 -4.101 16.125 1.00 1 A ARG 149.53 1 +ATOM 298 N N . GLY 38 185 ? A 1.889 -5.546 14.440 1.00 1 A GLY 27.61 1 +ATOM 299 C CA . GLY 38 185 ? A 2.745 -4.620 13.746 1.00 1 A GLY 27.61 1 +ATOM 300 C C . GLY 38 185 ? A 4.163 -4.706 14.220 1.00 1 A GLY 27.61 1 +ATOM 301 O O . GLY 38 185 ? A 5.008 -3.936 13.765 1.00 1 A GLY 27.61 1 +ATOM 302 N N . ALA 39 186 ? A 4.477 -5.652 15.124 1.00 1 A ALA 29.38 1 +ATOM 303 C CA . ALA 39 186 ? A 5.814 -5.742 15.643 1.00 1 A ALA 29.38 1 +ATOM 304 C CB . ALA 39 186 ? A 5.947 -6.725 16.820 1.00 1 A ALA 29.38 1 +ATOM 305 C C . ALA 39 186 ? A 6.740 -6.203 14.562 1.00 1 A ALA 29.38 1 +ATOM 306 O O . ALA 39 186 ? A 6.340 -6.877 13.615 1.00 1 A ALA 29.38 1 +ATOM 307 N N . VAL 40 187 ? A 8.027 -5.824 14.686 1.00 1 A VAL 33.93 1 +ATOM 308 C CA . VAL 40 187 ? A 9.037 -6.185 13.733 1.00 1 A VAL 33.93 1 +ATOM 309 C CB . VAL 40 187 ? A 10.323 -5.451 13.956 1.00 1 A VAL 33.93 1 +ATOM 310 C CG1 . VAL 40 187 ? A 11.358 -5.962 12.946 1.00 1 A VAL 33.93 1 +ATOM 311 C CG2 . VAL 40 187 ? A 10.047 -3.942 13.867 1.00 1 A VAL 33.93 1 +ATOM 312 C C . VAL 40 187 ? A 9.319 -7.648 13.892 1.00 1 A VAL 33.93 1 +ATOM 313 O O . VAL 40 187 ? A 9.318 -8.172 15.005 1.00 1 A VAL 33.93 1 +ATOM 314 N N . LEU 41 188 ? A 9.555 -8.352 12.764 1.00 1 A LEU 54.63 1 +ATOM 315 C CA . LEU 41 188 ? A 9.817 -9.766 12.802 1.00 1 A LEU 54.63 1 +ATOM 316 C CB . LEU 41 188 ? A 8.917 -10.578 11.849 1.00 1 A LEU 54.63 1 +ATOM 317 C CG . LEU 41 188 ? A 7.419 -10.558 12.221 1.00 1 A LEU 54.63 1 +ATOM 318 C CD1 . LEU 41 188 ? A 6.588 -11.387 11.227 1.00 1 A LEU 54.63 1 +ATOM 319 C CD2 . LEU 41 188 ? A 7.198 -10.999 13.679 1.00 1 A LEU 54.63 1 +ATOM 320 C C . LEU 41 188 ? A 11.229 -10.003 12.365 1.00 1 A LEU 54.63 1 +ATOM 321 O O . LEU 41 188 ? A 11.794 -9.217 11.606 1.00 1 A LEU 54.63 1 +ATOM 322 N N . MET 42 189 ? A 11.849 -11.092 12.871 1.00 1 A MET 123.80 1 +ATOM 323 C CA . MET 42 189 ? A 13.188 -11.407 12.458 1.00 1 A MET 123.80 1 +ATOM 324 C CB . MET 42 189 ? A 14.269 -11.232 13.538 1.00 1 A MET 123.80 1 +ATOM 325 C CG . MET 42 189 ? A 14.598 -9.773 13.860 1.00 1 A MET 123.80 1 +ATOM 326 S SD . MET 42 189 ? A 13.309 -8.900 14.790 1.00 1 A MET 123.80 1 +ATOM 327 C CE . MET 42 189 ? A 13.477 -9.997 16.225 1.00 1 A MET 123.80 1 +ATOM 328 C C . MET 42 189 ? A 13.240 -12.832 12.017 1.00 1 A MET 123.80 1 +ATOM 329 O O . MET 42 189 ? A 12.543 -13.694 12.551 1.00 1 A MET 123.80 1 +ATOM 330 N N . HIS 43 190 ? A 14.061 -13.098 10.982 1.00 1 A HIS 56.61 1 +ATOM 331 C CA . HIS 43 190 ? A 14.252 -14.439 10.515 1.00 1 A HIS 56.61 1 +ATOM 332 N ND1 . HIS 43 190 ? A 14.435 -16.656 7.871 1.00 1 A HIS 56.61 1 +ATOM 333 C CG . HIS 43 190 ? A 13.561 -16.216 8.841 1.00 1 A HIS 56.61 1 +ATOM 334 C CB . HIS 43 190 ? A 13.426 -14.782 9.262 1.00 1 A HIS 56.61 1 +ATOM 335 N NE2 . HIS 43 190 ? A 13.357 -18.452 8.616 1.00 1 A HIS 56.61 1 +ATOM 336 C CD2 . HIS 43 190 ? A 12.910 -17.327 9.285 1.00 1 A HIS 56.61 1 +ATOM 337 C CE1 . HIS 43 190 ? A 14.271 -18.000 7.777 1.00 1 A HIS 56.61 1 +ATOM 338 C C . HIS 43 190 ? A 15.698 -14.575 10.161 1.00 1 A HIS 56.61 1 +ATOM 339 O O . HIS 43 190 ? A 16.214 -13.840 9.322 1.00 1 A HIS 56.61 1 +ATOM 340 N N . LYS 44 191 ? A 16.396 -15.523 10.813 1.00 1 A LYS 51.03 1 +ATOM 341 C CA . LYS 44 191 ? A 17.780 -15.777 10.525 1.00 1 A LYS 51.03 1 +ATOM 342 C CB . LYS 44 191 ? A 18.043 -16.241 9.081 1.00 1 A LYS 51.03 1 +ATOM 343 C CG . LYS 44 191 ? A 17.507 -17.627 8.722 1.00 1 A LYS 51.03 1 +ATOM 344 C CD . LYS 44 191 ? A 17.615 -17.912 7.222 1.00 1 A LYS 51.03 1 +ATOM 345 C CE . LYS 44 191 ? A 17.161 -19.313 6.812 1.00 1 A LYS 51.03 1 +ATOM 346 N NZ . LYS 44 191 ? A 17.324 -19.481 5.350 1.00 1 A LYS 51.03 1 +ATOM 347 C C . LYS 44 191 ? A 18.587 -14.531 10.706 1.00 1 A LYS 51.03 1 +ATOM 348 O O . LYS 44 191 ? A 19.591 -14.343 10.019 1.00 1 A LYS 51.03 1 +ATOM 349 N N . GLY 45 192 ? A 18.191 -13.647 11.639 1.00 1 A GLY 15.71 1 +ATOM 350 C CA . GLY 45 192 ? A 18.985 -12.476 11.880 1.00 1 A GLY 15.71 1 +ATOM 351 C C . GLY 45 192 ? A 18.625 -11.399 10.899 1.00 1 A GLY 15.71 1 +ATOM 352 O O . GLY 45 192 ? A 19.270 -10.352 10.873 1.00 1 A GLY 15.71 1 +ATOM 353 N N . LYS 46 193 ? A 17.592 -11.621 10.060 1.00 1 A LYS 56.61 1 +ATOM 354 C CA . LYS 46 193 ? A 17.202 -10.609 9.115 1.00 1 A LYS 56.61 1 +ATOM 355 C CB . LYS 46 193 ? A 16.948 -11.148 7.696 1.00 1 A LYS 56.61 1 +ATOM 356 C CG . LYS 46 193 ? A 16.530 -10.061 6.706 1.00 1 A LYS 56.61 1 +ATOM 357 C CD . LYS 46 193 ? A 16.570 -10.511 5.246 1.00 1 A LYS 56.61 1 +ATOM 358 C CE . LYS 46 193 ? A 16.047 -9.459 4.267 1.00 1 A LYS 56.61 1 +ATOM 359 N NZ . LYS 46 193 ? A 14.579 -9.336 4.395 1.00 1 A LYS 56.61 1 +ATOM 360 C C . LYS 46 193 ? A 15.917 -10.007 9.588 1.00 1 A LYS 56.61 1 +ATOM 361 O O . LYS 46 193 ? A 14.990 -10.718 9.970 1.00 1 A LYS 56.61 1 +ATOM 362 N N . ARG 47 194 ? A 15.838 -8.661 9.576 1.00 1 A ARG 119.21 1 +ATOM 363 C CA . ARG 47 194 ? A 14.664 -7.990 10.056 1.00 1 A ARG 119.21 1 +ATOM 364 C CB . ARG 47 194 ? A 14.983 -6.639 10.709 1.00 1 A ARG 119.21 1 +ATOM 365 C CG . ARG 47 194 ? A 13.748 -5.910 11.225 1.00 1 A ARG 119.21 1 +ATOM 366 C CD . ARG 47 194 ? A 14.050 -4.529 11.802 1.00 1 A ARG 119.21 1 +ATOM 367 N NE . ARG 47 194 ? A 14.282 -3.607 10.655 1.00 1 A ARG 119.21 1 +ATOM 368 C CZ . ARG 47 194 ? A 14.526 -2.285 10.884 1.00 1 A ARG 119.21 1 +ATOM 369 N NH1 . ARG 47 194 ? A 14.604 -1.817 12.164 1.00 1 A ARG 119.21 1 +ATOM 370 N NH2 . ARG 47 194 ? A 14.682 -1.429 9.833 1.00 1 A ARG 119.21 1 +ATOM 371 C C . ARG 47 194 ? A 13.711 -7.733 8.922 1.00 1 A ARG 119.21 1 +ATOM 372 O O . ARG 47 194 ? A 14.121 -7.491 7.788 1.00 1 A ARG 119.21 1 +ATOM 373 N N . ILE 48 195 ? A 12.391 -7.806 9.210 1.00 1 A ILE 56.33 1 +ATOM 374 C CA . ILE 48 195 ? A 11.382 -7.487 8.235 1.00 1 A ILE 56.33 1 +ATOM 375 C CB . ILE 48 195 ? A 10.637 -8.685 7.713 1.00 1 A ILE 56.33 1 +ATOM 376 C CG2 . ILE 48 195 ? A 11.649 -9.578 6.972 1.00 1 A ILE 56.33 1 +ATOM 377 C CG1 . ILE 48 195 ? A 9.879 -9.409 8.836 1.00 1 A ILE 56.33 1 +ATOM 378 C CD1 . ILE 48 195 ? A 8.930 -10.490 8.317 1.00 1 A ILE 56.33 1 +ATOM 379 C C . ILE 48 195 ? A 10.410 -6.547 8.897 1.00 1 A ILE 56.33 1 +ATOM 380 O O . ILE 48 195 ? A 10.034 -6.742 10.052 1.00 1 A ILE 56.33 1 +ATOM 381 N N . GLU 49 196 ? A 9.973 -5.495 8.167 1.00 1 A GLU 91.27 1 +ATOM 382 C CA . GLU 49 196 ? A 9.132 -4.468 8.731 1.00 1 A GLU 91.27 1 +ATOM 383 C CB . GLU 49 196 ? A 9.656 -3.051 8.429 1.00 1 A GLU 91.27 1 +ATOM 384 C CG . GLU 49 196 ? A 11.049 -2.759 8.996 1.00 1 A GLU 91.27 1 +ATOM 385 C CD . GLU 49 196 ? A 10.903 -2.289 10.434 1.00 1 A GLU 91.27 1 +ATOM 386 O OE1 . GLU 49 196 ? A 10.729 -3.161 11.325 1.00 1 A GLU 91.27 1 +ATOM 387 O OE2 . GLU 49 196 ? A 10.960 -1.051 10.658 1.00 1 A GLU 91.27 1 +ATOM 388 C C . GLU 49 196 ? A 7.759 -4.551 8.119 1.00 1 A GLU 91.27 1 +ATOM 389 O O . GLU 49 196 ? A 7.597 -5.035 6.999 1.00 1 A GLU 91.27 1 +ATOM 390 N N . PRO 50 197 ? A 6.757 -4.107 8.850 1.00 1 A PRO 170.71 1 +ATOM 391 C CA . PRO 50 197 ? A 5.406 -4.125 8.342 1.00 1 A PRO 170.71 1 +ATOM 392 C CD . PRO 50 197 ? A 6.792 -4.205 10.301 1.00 1 A PRO 170.71 1 +ATOM 393 C CB . PRO 50 197 ? A 4.500 -3.880 9.546 1.00 1 A PRO 170.71 1 +ATOM 394 C CG . PRO 50 197 ? A 5.327 -4.401 10.735 1.00 1 A PRO 170.71 1 +ATOM 395 C C . PRO 50 197 ? A 5.184 -3.153 7.222 1.00 1 A PRO 170.71 1 +ATOM 396 O O . PRO 50 197 ? A 5.513 -1.978 7.379 1.00 1 A PRO 170.71 1 +ATOM 397 N N . SER 51 198 ? A 4.686 -3.640 6.066 1.00 1 A SER 69.64 1 +ATOM 398 C CA . SER 51 198 ? A 4.380 -2.811 4.930 1.00 1 A SER 69.64 1 +ATOM 399 C CB . SER 51 198 ? A 4.625 -3.538 3.600 1.00 1 A SER 69.64 1 +ATOM 400 O OG . SER 51 198 ? A 6.003 -3.857 3.481 1.00 1 A SER 69.64 1 +ATOM 401 C C . SER 51 198 ? A 2.962 -2.312 4.917 1.00 1 A SER 69.64 1 +ATOM 402 O O . SER 51 198 ? A 2.716 -1.138 4.649 1.00 1 A SER 69.64 1 +ATOM 403 N N . TRP 52 199 ? A 1.982 -3.202 5.188 1.00 1 A TRP 71.78 1 +ATOM 404 C CA . TRP 52 199 ? A 0.597 -2.836 5.037 1.00 1 A TRP 71.78 1 +ATOM 405 C CB . TRP 52 199 ? A 0.072 -3.188 3.633 1.00 1 A TRP 71.78 1 +ATOM 406 C CG . TRP 52 199 ? A -1.418 -3.053 3.431 1.00 1 A TRP 71.78 1 +ATOM 407 C CD2 . TRP 52 199 ? A -2.339 -4.139 3.620 1.00 1 A TRP 71.78 1 +ATOM 408 C CD1 . TRP 52 199 ? A -2.160 -1.980 3.033 1.00 1 A TRP 71.78 1 +ATOM 409 N NE1 . TRP 52 199 ? A -3.488 -2.330 2.960 1.00 1 A TRP 71.78 1 +ATOM 410 C CE2 . TRP 52 199 ? A -3.612 -3.657 3.319 1.00 1 A TRP 71.78 1 +ATOM 411 C CE3 . TRP 52 199 ? A -2.139 -5.434 4.009 1.00 1 A TRP 71.78 1 +ATOM 412 C CZ2 . TRP 52 199 ? A -4.709 -4.466 3.403 1.00 1 A TRP 71.78 1 +ATOM 413 C CZ3 . TRP 52 199 ? A -3.248 -6.246 4.097 1.00 1 A TRP 71.78 1 +ATOM 414 C CH2 . TRP 52 199 ? A -4.509 -5.771 3.799 1.00 1 A TRP 71.78 1 +ATOM 415 C C . TRP 52 199 ? A -0.232 -3.605 6.021 1.00 1 A TRP 71.78 1 +ATOM 416 O O . TRP 52 199 ? A 0.131 -4.711 6.418 1.00 1 A TRP 71.78 1 +ATOM 417 N N . ALA 53 200 ? A -1.381 -3.032 6.446 1.00 1 A ALA 41.05 1 +ATOM 418 C CA . ALA 53 200 ? A -2.216 -3.749 7.367 1.00 1 A ALA 41.05 1 +ATOM 419 C CB . ALA 53 200 ? A -1.863 -3.489 8.841 1.00 1 A ALA 41.05 1 +ATOM 420 C C . ALA 53 200 ? A -3.644 -3.339 7.184 1.00 1 A ALA 41.05 1 +ATOM 421 O O . ALA 53 200 ? A -3.938 -2.220 6.768 1.00 1 A ALA 41.05 1 +ATOM 422 N N . ASP 54 201 ? A -4.570 -4.280 7.471 1.00 1 A ASP 54.85 1 +ATOM 423 C CA . ASP 54 201 ? A -5.983 -4.026 7.448 1.00 1 A ASP 54.85 1 +ATOM 424 C CB . ASP 54 201 ? A -6.706 -4.698 6.267 1.00 1 A ASP 54.85 1 +ATOM 425 C CG . ASP 54 201 ? A -8.136 -4.178 6.214 1.00 1 A ASP 54.85 1 +ATOM 426 O OD1 . ASP 54 201 ? A -8.628 -3.674 7.259 1.00 1 A ASP 54.85 1 +ATOM 427 O OD2 . ASP 54 201 ? A -8.757 -4.278 5.122 1.00 1 A ASP 54.85 1 +ATOM 428 C C . ASP 54 201 ? A -6.501 -4.633 8.715 1.00 1 A ASP 54.85 1 +ATOM 429 O O . ASP 54 201 ? A -6.711 -5.842 8.794 1.00 1 A ASP 54.85 1 +ATOM 430 N N . VAL 55 202 ? A -6.718 -3.795 9.745 1.00 1 A VAL 30.63 1 +ATOM 431 C CA . VAL 55 202 ? A -7.113 -4.264 11.044 1.00 1 A VAL 30.63 1 +ATOM 432 C CB . VAL 55 202 ? A -7.217 -3.160 12.055 1.00 1 A VAL 30.63 1 +ATOM 433 C CG1 . VAL 55 202 ? A -7.773 -3.745 13.365 1.00 1 A VAL 30.63 1 +ATOM 434 C CG2 . VAL 55 202 ? A -5.832 -2.508 12.206 1.00 1 A VAL 30.63 1 +ATOM 435 C C . VAL 55 202 ? A -8.445 -4.946 10.977 1.00 1 A VAL 30.63 1 +ATOM 436 O O . VAL 55 202 ? A -8.646 -5.979 11.615 1.00 1 A VAL 30.63 1 +ATOM 437 N N . LYS 56 203 ? A -9.397 -4.400 10.198 1.00 1 A LYS 98.95 1 +ATOM 438 C CA . LYS 56 203 ? A -10.707 -4.987 10.180 1.00 1 A LYS 98.95 1 +ATOM 439 C CB . LYS 56 203 ? A -11.710 -4.219 9.303 1.00 1 A LYS 98.95 1 +ATOM 440 C CG . LYS 56 203 ? A -13.127 -4.796 9.374 1.00 1 A LYS 98.95 1 +ATOM 441 C CD . LYS 56 203 ? A -14.211 -3.837 8.880 1.00 1 A LYS 98.95 1 +ATOM 442 C CE . LYS 56 203 ? A -14.589 -2.771 9.911 1.00 1 A LYS 98.95 1 +ATOM 443 N NZ . LYS 56 203 ? A -15.638 -1.881 9.366 1.00 1 A LYS 98.95 1 +ATOM 444 C C . LYS 56 203 ? A -10.617 -6.399 9.677 1.00 1 A LYS 98.95 1 +ATOM 445 O O . LYS 56 203 ? A -11.294 -7.288 10.190 1.00 1 A LYS 98.95 1 +ATOM 446 N N . LYS 57 204 ? A -9.797 -6.623 8.633 1.00 1 A LYS 167.70 1 +ATOM 447 C CA . LYS 57 204 ? A -9.559 -7.904 8.014 1.00 1 A LYS 167.70 1 +ATOM 448 C CB . LYS 57 204 ? A -8.820 -7.778 6.670 1.00 1 A LYS 167.70 1 +ATOM 449 C CG . LYS 57 204 ? A -9.568 -6.926 5.641 1.00 1 A LYS 167.70 1 +ATOM 450 C CD . LYS 57 204 ? A -10.943 -7.471 5.255 1.00 1 A LYS 167.70 1 +ATOM 451 C CE . LYS 57 204 ? A -10.942 -8.284 3.961 1.00 1 A LYS 167.70 1 +ATOM 452 N NZ . LYS 57 204 ? A -10.779 -7.384 2.798 1.00 1 A LYS 167.70 1 +ATOM 453 C C . LYS 57 204 ? A -8.707 -8.763 8.914 1.00 1 A LYS 167.70 1 +ATOM 454 O O . LYS 57 204 ? A -8.689 -9.986 8.774 1.00 1 A LYS 167.70 1 +ATOM 455 N N . ASP 58 205 ? A -7.961 -8.139 9.851 1.00 1 A ASP 75.57 1 +ATOM 456 C CA . ASP 58 205 ? A -7.031 -8.828 10.712 1.00 1 A ASP 75.57 1 +ATOM 457 C CB . ASP 58 205 ? A -7.657 -10.018 11.459 1.00 1 A ASP 75.57 1 +ATOM 458 C CG . ASP 58 205 ? A -6.698 -10.467 12.554 1.00 1 A ASP 75.57 1 +ATOM 459 O OD1 . ASP 58 205 ? A -5.654 -9.788 12.748 1.00 1 A ASP 75.57 1 +ATOM 460 O OD2 . ASP 58 205 ? A -6.997 -11.500 13.210 1.00 1 A ASP 75.57 1 +ATOM 461 C C . ASP 58 205 ? A -5.872 -9.339 9.902 1.00 1 A ASP 75.57 1 +ATOM 462 O O . ASP 58 205 ? A -5.347 -10.421 10.167 1.00 1 A ASP 75.57 1 +ATOM 463 N N . LEU 59 206 ? A -5.420 -8.546 8.900 1.00 1 A LEU 61.52 1 +ATOM 464 C CA . LEU 59 206 ? A -4.343 -8.968 8.044 1.00 1 A LEU 61.52 1 +ATOM 465 C CB . LEU 59 206 ? A -4.777 -9.053 6.569 1.00 1 A LEU 61.52 1 +ATOM 466 C CG . LEU 59 206 ? A -5.916 -10.061 6.327 1.00 1 A LEU 61.52 1 +ATOM 467 C CD1 . LEU 59 206 ? A -6.313 -10.118 4.843 1.00 1 A LEU 61.52 1 +ATOM 468 C CD2 . LEU 59 206 ? A -5.564 -11.445 6.899 1.00 1 A LEU 61.52 1 +ATOM 469 C C . LEU 59 206 ? A -3.209 -7.981 8.107 1.00 1 A LEU 61.52 1 +ATOM 470 O O . LEU 59 206 ? A -3.420 -6.782 8.282 1.00 1 A LEU 61.52 1 +ATOM 471 N N . ILE 60 207 ? A -1.959 -8.481 8.005 1.00 1 A ILE 55.95 1 +ATOM 472 C CA . ILE 60 207 ? A -0.806 -7.621 7.973 1.00 1 A ILE 55.95 1 +ATOM 473 C CB . ILE 60 207 ? A -0.156 -7.465 9.317 1.00 1 A ILE 55.95 1 +ATOM 474 C CG2 . ILE 60 207 ? A 0.311 -8.852 9.789 1.00 1 A ILE 55.95 1 +ATOM 475 C CG1 . ILE 60 207 ? A 0.955 -6.404 9.262 1.00 1 A ILE 55.95 1 +ATOM 476 C CD1 . ILE 60 207 ? A 1.442 -5.959 10.640 1.00 1 A ILE 55.95 1 +ATOM 477 C C . ILE 60 207 ? A 0.211 -8.232 7.052 1.00 1 A ILE 55.95 1 +ATOM 478 O O . ILE 60 207 ? A 0.352 -9.453 7.009 1.00 1 A ILE 55.95 1 +ATOM 479 N N . SER 61 208 ? A 0.950 -7.395 6.288 1.00 1 A SER 37.36 1 +ATOM 480 C CA . SER 61 208 ? A 1.958 -7.904 5.396 1.00 1 A SER 37.36 1 +ATOM 481 C CB . SER 61 208 ? A 1.620 -7.691 3.910 1.00 1 A SER 37.36 1 +ATOM 482 O OG . SER 61 208 ? A 1.521 -6.305 3.621 1.00 1 A SER 37.36 1 +ATOM 483 C C . SER 61 208 ? A 3.244 -7.187 5.682 1.00 1 A SER 37.36 1 +ATOM 484 O O . SER 61 208 ? A 3.241 -6.015 6.057 1.00 1 A SER 37.36 1 +ATOM 485 N N . TYR 62 209 ? A 4.382 -7.897 5.511 1.00 1 A TYR 70.11 1 +ATOM 486 C CA . TYR 62 209 ? A 5.691 -7.361 5.775 1.00 1 A TYR 70.11 1 +ATOM 487 C CB . TYR 62 209 ? A 6.498 -8.196 6.790 1.00 1 A TYR 70.11 1 +ATOM 488 C CG . TYR 62 209 ? A 5.846 -8.183 8.132 1.00 1 A TYR 70.11 1 +ATOM 489 C CD1 . TYR 62 209 ? A 4.732 -8.952 8.386 1.00 1 A TYR 70.11 1 +ATOM 490 C CD2 . TYR 62 209 ? A 6.373 -7.421 9.146 1.00 1 A TYR 70.11 1 +ATOM 491 C CE1 . TYR 62 209 ? A 4.144 -8.942 9.630 1.00 1 A TYR 70.11 1 +ATOM 492 C CE2 . TYR 62 209 ? A 5.791 -7.407 10.390 1.00 1 A TYR 70.11 1 +ATOM 493 C CZ . TYR 62 209 ? A 4.674 -8.167 10.631 1.00 1 A TYR 70.11 1 +ATOM 494 O OH . TYR 62 209 ? A 4.078 -8.151 11.909 1.00 1 A TYR 70.11 1 +ATOM 495 C C . TYR 62 209 ? A 6.489 -7.454 4.511 1.00 1 A TYR 70.11 1 +ATOM 496 O O . TYR 62 209 ? A 6.535 -8.505 3.874 1.00 1 A TYR 70.11 1 +ATOM 497 N N . GLY 63 210 ? A 7.161 -6.351 4.122 0.70 1 A GLY 30.74 1 +ATOM 498 C CA . GLY 63 210 ? A 8.017 -6.402 2.972 0.70 1 A GLY 30.74 1 +ATOM 499 C C . GLY 63 210 ? A 7.222 -6.482 1.703 0.70 1 A GLY 30.74 1 +ATOM 500 O O . GLY 63 210 ? A 7.579 -7.240 0.802 0.70 1 A GLY 30.74 1 +ATOM 501 N N . GLY 64 211 ? A 6.104 -5.735 1.597 1.00 1 A GLY 24.28 1 +ATOM 502 C CA . GLY 64 211 ? A 5.411 -5.723 0.338 1.00 1 A GLY 24.28 1 +ATOM 503 C C . GLY 64 211 ? A 3.936 -5.740 0.585 1.00 1 A GLY 24.28 1 +ATOM 504 O O . GLY 64 211 ? A 3.482 -5.924 1.713 1.00 1 A GLY 24.28 1 +ATOM 505 N N . GLY 65 212 ? A 3.153 -5.553 -0.499 1.00 1 A GLY 21.96 1 +ATOM 506 C CA . GLY 65 212 ? A 1.720 -5.549 -0.431 1.00 1 A GLY 21.96 1 +ATOM 507 C C . GLY 65 212 ? A 1.254 -6.972 -0.450 1.00 1 A GLY 21.96 1 +ATOM 508 O O . GLY 65 212 ? A 2.052 -7.895 -0.602 1.00 1 A GLY 21.96 1 +ATOM 509 N N . TRP 66 213 ? A -0.075 -7.169 -0.326 1.00 1 A TRP 94.27 1 +ATOM 510 C CA . TRP 66 213 ? A -0.665 -8.474 -0.203 1.00 1 A TRP 94.27 1 +ATOM 511 C CB . TRP 66 213 ? A -2.156 -8.368 0.166 1.00 1 A TRP 94.27 1 +ATOM 512 C CG . TRP 66 213 ? A -2.798 -9.636 0.662 1.00 1 A TRP 94.27 1 +ATOM 513 C CD2 . TRP 66 213 ? A -2.689 -10.075 2.023 1.00 1 A TRP 94.27 1 +ATOM 514 C CD1 . TRP 66 213 ? A -3.555 -10.566 0.013 1.00 1 A TRP 94.27 1 +ATOM 515 N NE1 . TRP 66 213 ? A -3.934 -11.555 0.892 1.00 1 A TRP 94.27 1 +ATOM 516 C CE2 . TRP 66 213 ? A -3.404 -11.265 2.133 1.00 1 A TRP 94.27 1 +ATOM 517 C CE3 . TRP 66 213 ? A -2.045 -9.524 3.094 1.00 1 A TRP 94.27 1 +ATOM 518 C CZ2 . TRP 66 213 ? A -3.487 -11.929 3.323 1.00 1 A TRP 94.27 1 +ATOM 519 C CZ3 . TRP 66 213 ? A -2.127 -10.195 4.293 1.00 1 A TRP 94.27 1 +ATOM 520 C CH2 . TRP 66 213 ? A -2.835 -11.375 4.403 1.00 1 A TRP 94.27 1 +ATOM 521 C C . TRP 66 213 ? A -0.528 -9.242 -1.490 1.00 1 A TRP 94.27 1 +ATOM 522 O O . TRP 66 213 ? A -1.020 -8.823 -2.536 1.00 1 A TRP 94.27 1 +ATOM 523 N N . LYS 67 214 ? A 0.237 -10.355 -1.435 1.00 1 A LYS 165.14 1 +ATOM 524 C CA . LYS 67 214 ? A 0.512 -11.282 -2.507 1.00 1 A LYS 165.14 1 +ATOM 525 C CB . LYS 67 214 ? A 1.869 -11.978 -2.333 1.00 1 A LYS 165.14 1 +ATOM 526 C CG . LYS 67 214 ? A 3.023 -10.975 -2.348 1.00 1 A LYS 165.14 1 +ATOM 527 C CD . LYS 67 214 ? A 3.066 -10.128 -3.623 1.00 1 A LYS 165.14 1 +ATOM 528 C CE . LYS 67 214 ? A 4.215 -9.119 -3.657 1.00 1 A LYS 165.14 1 +ATOM 529 N NZ . LYS 67 214 ? A 4.015 -8.091 -2.610 1.00 1 A LYS 165.14 1 +ATOM 530 C C . LYS 67 214 ? A -0.525 -12.354 -2.728 1.00 1 A LYS 165.14 1 +ATOM 531 O O . LYS 67 214 ? A -0.696 -12.814 -3.855 1.00 1 A LYS 165.14 1 +ATOM 532 N N . LEU 68 215 ? A -1.215 -12.816 -1.663 1.00 1 A LEU 86.01 1 +ATOM 533 C CA . LEU 68 215 ? A -2.054 -13.992 -1.751 1.00 1 A LEU 86.01 1 +ATOM 534 C CB . LEU 68 215 ? A -2.681 -14.369 -0.400 1.00 1 A LEU 86.01 1 +ATOM 535 C CG . LEU 68 215 ? A -1.621 -14.589 0.698 1.00 1 A LEU 86.01 1 +ATOM 536 C CD1 . LEU 68 215 ? A -2.258 -15.096 2.002 1.00 1 A LEU 86.01 1 +ATOM 537 C CD2 . LEU 68 215 ? A -0.468 -15.475 0.200 1.00 1 A LEU 86.01 1 +ATOM 538 C C . LEU 68 215 ? A -3.156 -13.818 -2.760 1.00 1 A LEU 86.01 1 +ATOM 539 O O . LEU 68 215 ? A -3.962 -12.892 -2.684 1.00 1 A LEU 86.01 1 +ATOM 540 N N . GLU 69 216 ? A -3.139 -14.707 -3.779 1.00 1 A GLU 102.72 1 +ATOM 541 C CA . GLU 69 216 ? A -4.028 -14.765 -4.911 1.00 1 A GLU 102.72 1 +ATOM 542 C CB . GLU 69 216 ? A -3.292 -15.286 -6.155 1.00 1 A GLU 102.72 1 +ATOM 543 C CG . GLU 69 216 ? A -2.538 -16.593 -5.916 1.00 1 A GLU 102.72 1 +ATOM 544 C CD . GLU 69 216 ? A -1.653 -16.835 -7.129 1.00 1 A GLU 102.72 1 +ATOM 545 O OE1 . GLU 69 216 ? A -2.125 -16.565 -8.265 1.00 1 A GLU 102.72 1 +ATOM 546 O OE2 . GLU 69 216 ? A -0.491 -17.283 -6.936 1.00 1 A GLU 102.72 1 +ATOM 547 C C . GLU 69 216 ? A -5.328 -15.518 -4.748 1.00 1 A GLU 102.72 1 +ATOM 548 O O . GLU 69 216 ? A -6.327 -15.153 -5.368 1.00 1 A GLU 102.72 1 +ATOM 549 N N . GLY 70 217 ? A -5.370 -16.586 -3.928 1.00 1 A GLY 46.79 1 +ATOM 550 C CA . GLY 70 217 ? A -6.502 -17.482 -3.934 1.00 1 A GLY 46.79 1 +ATOM 551 C C . GLY 70 217 ? A -7.798 -16.782 -3.666 1.00 1 A GLY 46.79 1 +ATOM 552 O O . GLY 70 217 ? A -7.877 -15.822 -2.902 1.00 1 A GLY 46.79 1 +ATOM 553 N N . GLU 71 218 ? A -8.863 -17.274 -4.336 1.00 1 A GLU 91.53 1 +ATOM 554 C CA . GLU 71 218 ? A -10.200 -16.789 -4.151 1.00 1 A GLU 91.53 1 +ATOM 555 C CB . GLU 71 218 ? A -10.684 -15.936 -5.331 1.00 1 A GLU 91.53 1 +ATOM 556 C CG . GLU 71 218 ? A -10.530 -16.649 -6.675 1.00 1 A GLU 91.53 1 +ATOM 557 C CD . GLU 71 218 ? A -11.035 -15.713 -7.761 1.00 1 A GLU 91.53 1 +ATOM 558 O OE1 . GLU 71 218 ? A -11.359 -14.541 -7.429 1.00 1 A GLU 91.53 1 +ATOM 559 O OE2 . GLU 71 218 ? A -11.108 -16.159 -8.937 1.00 1 A GLU 91.53 1 +ATOM 560 C C . GLU 71 218 ? A -11.078 -17.999 -4.047 1.00 1 A GLU 91.53 1 +ATOM 561 O O . GLU 71 218 ? A -11.158 -18.802 -4.975 1.00 1 A GLU 91.53 1 +ATOM 562 N N . TRP 72 219 ? A -11.764 -18.161 -2.900 1.00 1 A TRP 73.28 1 +ATOM 563 C CA . TRP 72 219 ? A -12.597 -19.310 -2.683 1.00 1 A TRP 73.28 1 +ATOM 564 C CB . TRP 72 219 ? A -12.761 -19.625 -1.184 1.00 1 A TRP 73.28 1 +ATOM 565 C CG . TRP 72 219 ? A -13.683 -20.773 -0.855 1.00 1 A TRP 73.28 1 +ATOM 566 C CD2 . TRP 72 219 ? A -14.999 -20.595 -0.312 1.00 1 A TRP 73.28 1 +ATOM 567 C CD1 . TRP 72 219 ? A -13.487 -22.120 -0.960 1.00 1 A TRP 73.28 1 +ATOM 568 N NE1 . TRP 72 219 ? A -14.604 -22.791 -0.523 1.00 1 A TRP 73.28 1 +ATOM 569 C CE2 . TRP 72 219 ? A -15.542 -21.864 -0.120 1.00 1 A TRP 73.28 1 +ATOM 570 C CE3 . TRP 72 219 ? A -15.696 -19.463 0.003 1.00 1 A TRP 73.28 1 +ATOM 571 C CZ2 . TRP 72 219 ? A -16.799 -22.022 0.392 1.00 1 A TRP 73.28 1 +ATOM 572 C CZ3 . TRP 72 219 ? A -16.964 -19.625 0.515 1.00 1 A TRP 73.28 1 +ATOM 573 C CH2 . TRP 72 219 ? A -17.505 -20.881 0.705 1.00 1 A TRP 73.28 1 +ATOM 574 C C . TRP 72 219 ? A -13.944 -19.064 -3.292 1.00 1 A TRP 73.28 1 +ATOM 575 O O . TRP 72 219 ? A -14.417 -17.931 -3.351 1.00 1 A TRP 73.28 1 +ATOM 576 N N . LYS 73 220 ? A -14.581 -20.144 -3.791 1.00 1 A LYS 73.40 1 +ATOM 577 C CA . LYS 73 220 ? A -15.887 -20.076 -4.390 1.00 1 A LYS 73.40 1 +ATOM 578 C CB . LYS 73 220 ? A -15.873 -20.489 -5.870 1.00 1 A LYS 73.40 1 +ATOM 579 C CG . LYS 73 220 ? A -15.017 -19.566 -6.738 1.00 1 A LYS 73.40 1 +ATOM 580 C CD . LYS 73 220 ? A -14.593 -20.191 -8.068 1.00 1 A LYS 73.40 1 +ATOM 581 C CE . LYS 73 220 ? A -15.758 -20.558 -8.988 1.00 1 A LYS 73.40 1 +ATOM 582 N NZ . LYS 73 220 ? A -15.236 -21.153 -10.238 1.00 1 A LYS 73.40 1 +ATOM 583 C C . LYS 73 220 ? A -16.731 -21.072 -3.657 1.00 1 A LYS 73.40 1 +ATOM 584 O O . LYS 73 220 ? A -16.240 -22.119 -3.240 1.00 1 A LYS 73.40 1 +ATOM 585 N N . GLU 74 221 ? A -18.037 -20.784 -3.500 1.00 1 A GLU 38.78 1 +ATOM 586 C CA . GLU 74 221 ? A -18.876 -21.652 -2.725 1.00 1 A GLU 38.78 1 +ATOM 587 C CB . GLU 74 221 ? A -20.337 -21.181 -2.605 1.00 1 A GLU 38.78 1 +ATOM 588 C CG . GLU 74 221 ? A -21.198 -22.135 -1.772 1.00 1 A GLU 38.78 1 +ATOM 589 C CD . GLU 74 221 ? A -22.616 -21.588 -1.707 1.00 1 A GLU 38.78 1 +ATOM 590 O OE1 . GLU 74 221 ? A -22.847 -20.476 -2.251 1.00 1 A GLU 38.78 1 +ATOM 591 O OE2 . GLU 74 221 ? A -23.489 -22.276 -1.113 1.00 1 A GLU 38.78 1 +ATOM 592 C C . GLU 74 221 ? A -18.902 -23.019 -3.329 1.00 1 A GLU 38.78 1 +ATOM 593 O O . GLU 74 221 ? A -18.925 -23.182 -4.547 1.00 1 A GLU 38.78 1 +ATOM 594 N N . GLY 75 222 ? A -18.875 -24.043 -2.452 1.00 1 A GLY 24.33 1 +ATOM 595 C CA . GLY 75 222 ? A -18.989 -25.414 -2.856 1.00 1 A GLY 24.33 1 +ATOM 596 C C . GLY 75 222 ? A -17.630 -26.034 -2.966 1.00 1 A GLY 24.33 1 +ATOM 597 O O . GLY 75 222 ? A -17.505 -27.257 -2.940 1.00 1 A GLY 24.33 1 +ATOM 598 N N . GLU 76 223 ? A -16.570 -25.215 -3.086 1.00 1 A GLU 36.54 1 +ATOM 599 C CA . GLU 76 223 ? A -15.260 -25.777 -3.257 1.00 1 A GLU 36.54 1 +ATOM 600 C CB . GLU 76 223 ? A -14.301 -24.835 -4.004 1.00 1 A GLU 36.54 1 +ATOM 601 C CG . GLU 76 223 ? A -14.708 -24.604 -5.461 1.00 1 A GLU 36.54 1 +ATOM 602 C CD . GLU 76 223 ? A -13.729 -23.615 -6.071 1.00 1 A GLU 36.54 1 +ATOM 603 O OE1 . GLU 76 223 ? A -12.889 -23.068 -5.308 1.00 1 A GLU 36.54 1 +ATOM 604 O OE2 . GLU 76 223 ? A -13.808 -23.389 -7.308 1.00 1 A GLU 36.54 1 +ATOM 605 C C . GLU 76 223 ? A -14.657 -26.089 -1.924 1.00 1 A GLU 36.54 1 +ATOM 606 O O . GLU 76 223 ? A -14.856 -25.368 -0.948 1.00 1 A GLU 36.54 1 +ATOM 607 N N . GLU 77 224 ? A -13.899 -27.202 -1.853 1.00 1 A GLU 50.90 1 +ATOM 608 C CA . GLU 77 224 ? A -13.246 -27.557 -0.627 1.00 1 A GLU 50.90 1 +ATOM 609 C CB . GLU 77 224 ? A -13.166 -29.072 -0.379 1.00 1 A GLU 50.90 1 +ATOM 610 C CG . GLU 77 224 ? A -14.546 -29.671 -0.100 1.00 1 A GLU 50.90 1 +ATOM 611 C CD . GLU 77 224 ? A -14.381 -31.146 0.217 1.00 1 A GLU 50.90 1 +ATOM 612 O OE1 . GLU 77 224 ? A -13.679 -31.848 -0.559 1.00 1 A GLU 50.90 1 +ATOM 613 O OE2 . GLU 77 224 ? A -14.950 -31.588 1.251 1.00 1 A GLU 50.90 1 +ATOM 614 C C . GLU 77 224 ? A -11.865 -26.979 -0.639 1.00 1 A GLU 50.90 1 +ATOM 615 O O . GLU 77 224 ? A -11.299 -26.705 -1.696 1.00 1 A GLU 50.90 1 +ATOM 616 N N . VAL 78 225 ? A -11.296 -26.764 0.565 1.00 1 A VAL 41.15 1 +ATOM 617 C CA . VAL 78 225 ? A -9.986 -26.196 0.700 1.00 1 A VAL 41.15 1 +ATOM 618 C CB . VAL 78 225 ? A -10.003 -24.781 1.200 1.00 1 A VAL 41.15 1 +ATOM 619 C CG1 . VAL 78 225 ? A -10.747 -23.903 0.178 1.00 1 A VAL 41.15 1 +ATOM 620 C CG2 . VAL 78 225 ? A -10.626 -24.773 2.609 1.00 1 A VAL 41.15 1 +ATOM 621 C C . VAL 78 225 ? A -9.276 -26.985 1.748 1.00 1 A VAL 41.15 1 +ATOM 622 O O . VAL 78 225 ? A -9.864 -27.859 2.383 1.00 1 A VAL 41.15 1 +ATOM 623 N N . GLN 79 226 ? A -7.966 -26.723 1.928 1.00 1 A GLN 47.61 1 +ATOM 624 C CA . GLN 79 226 ? A -7.263 -27.419 2.961 1.00 1 A GLN 47.61 1 +ATOM 625 C CB . GLN 79 226 ? A -6.181 -28.387 2.452 1.00 1 A GLN 47.61 1 +ATOM 626 C CG . GLN 79 226 ? A -6.759 -29.589 1.701 1.00 1 A GLN 47.61 1 +ATOM 627 C CD . GLN 79 226 ? A -5.619 -30.543 1.375 1.00 1 A GLN 47.61 1 +ATOM 628 O OE1 . GLN 79 226 ? A -4.520 -30.121 1.017 1.00 1 A GLN 47.61 1 +ATOM 629 N NE2 . GLN 79 226 ? A -5.882 -31.871 1.516 1.00 1 A GLN 47.61 1 +ATOM 630 C C . GLN 79 226 ? A -6.606 -26.419 3.854 1.00 1 A GLN 47.61 1 +ATOM 631 O O . GLN 79 226 ? A -6.026 -25.433 3.401 1.00 1 A GLN 47.61 1 +ATOM 632 N N . VAL 80 227 ? A -6.709 -26.647 5.177 1.00 1 A VAL 46.32 1 +ATOM 633 C CA . VAL 80 227 ? A -6.039 -25.786 6.099 1.00 1 A VAL 46.32 1 +ATOM 634 C CB . VAL 80 227 ? A -6.748 -25.663 7.419 1.00 1 A VAL 46.32 1 +ATOM 635 C CG1 . VAL 80 227 ? A -5.890 -24.811 8.369 1.00 1 A VAL 46.32 1 +ATOM 636 C CG2 . VAL 80 227 ? A -8.157 -25.095 7.175 1.00 1 A VAL 46.32 1 +ATOM 637 C C . VAL 80 227 ? A -4.728 -26.451 6.355 1.00 1 A VAL 46.32 1 +ATOM 638 O O . VAL 80 227 ? A -4.682 -27.595 6.805 1.00 1 A VAL 46.32 1 +ATOM 639 N N . LEU 81 228 ? A -3.621 -25.757 6.033 1.00 1 A LEU 68.78 1 +ATOM 640 C CA . LEU 81 228 ? A -2.330 -26.320 6.299 0.50 1 A LEU 68.78 1 +ATOM 641 C CB . LEU 81 228 ? A -1.246 -25.827 5.325 0.50 1 A LEU 68.78 1 +ATOM 642 C CG . LEU 81 228 ? A -1.547 -26.173 3.854 0.50 1 A LEU 68.78 1 +ATOM 643 C CD1 . LEU 81 228 ? A -0.432 -25.668 2.924 0.50 1 A LEU 68.78 1 +ATOM 644 C CD2 . LEU 81 228 ? A -1.851 -27.669 3.679 0.50 1 A LEU 68.78 1 +ATOM 645 C C . LEU 81 228 ? A -1.994 -25.790 7.652 1.00 1 A LEU 68.78 1 +ATOM 646 O O . LEU 81 228 ? A -1.354 -24.747 7.784 1.00 1 A LEU 68.78 1 +ATOM 647 N N . ALA 82 229 ? A -2.434 -26.516 8.697 1.00 1 A ALA 56.55 1 +ATOM 648 C CA . ALA 82 229 ? A -2.298 -26.020 10.031 1.00 1 A ALA 56.55 1 +ATOM 649 C CB . ALA 82 229 ? A -3.280 -26.668 11.023 1.00 1 A ALA 56.55 1 +ATOM 650 C C . ALA 82 229 ? A -0.925 -26.224 10.575 1.00 1 A ALA 56.55 1 +ATOM 651 O O . ALA 82 229 ? A -0.331 -27.296 10.456 1.00 1 A ALA 56.55 1 +ATOM 652 N N . LEU 83 230 ? A -0.397 -25.156 11.203 1.00 1 A LEU 123.42 1 +ATOM 653 C CA . LEU 83 230 ? A 0.829 -25.206 11.946 1.00 1 A LEU 123.42 1 +ATOM 654 C CB . LEU 83 230 ? A 1.842 -24.107 11.569 1.00 1 A LEU 123.42 1 +ATOM 655 C CG . LEU 83 230 ? A 2.577 -24.298 10.230 1.00 1 A LEU 123.42 1 +ATOM 656 C CD1 . LEU 83 230 ? A 3.581 -25.455 10.308 1.00 1 A LEU 123.42 1 +ATOM 657 C CD2 . LEU 83 230 ? A 1.608 -24.442 9.053 1.00 1 A LEU 123.42 1 +ATOM 658 C C . LEU 83 230 ? A 0.420 -24.911 13.355 1.00 1 A LEU 123.42 1 +ATOM 659 O O . LEU 83 230 ? A 0.387 -23.751 13.763 1.00 1 A LEU 123.42 1 +ATOM 660 N N . GLU 84 231 ? A 0.088 -25.958 14.136 1.00 1 A GLU 65.48 1 +ATOM 661 C CA . GLU 84 231 ? A -0.340 -25.749 15.490 1.00 1 A GLU 65.48 1 +ATOM 662 C CB . GLU 84 231 ? A -1.337 -26.802 16.004 1.00 1 A GLU 65.48 1 +ATOM 663 C CG . GLU 84 231 ? A -2.685 -26.778 15.283 1.00 1 A GLU 65.48 1 +ATOM 664 C CD . GLU 84 231 ? A -3.646 -27.651 16.078 1.00 1 A GLU 65.48 1 +ATOM 665 O OE1 . GLU 84 231 ? A -3.281 -28.042 17.218 1.00 1 A GLU 65.48 1 +ATOM 666 O OE2 . GLU 84 231 ? A -4.759 -27.935 15.563 1.00 1 A GLU 65.48 1 +ATOM 667 C C . GLU 84 231 ? A 0.853 -25.803 16.382 1.00 1 A GLU 65.48 1 +ATOM 668 O O . GLU 84 231 ? A 1.878 -26.398 16.049 1.00 1 A GLU 65.48 1 +ATOM 669 N N . PRO 85 232 ? A 0.739 -25.189 17.527 1.00 1 A PRO 73.66 1 +ATOM 670 C CA . PRO 85 232 ? A 1.831 -25.237 18.450 1.00 1 A PRO 73.66 1 +ATOM 671 C CD . PRO 85 232 ? A -0.064 -23.988 17.687 1.00 1 A PRO 73.66 1 +ATOM 672 C CB . PRO 85 232 ? A 1.479 -24.247 19.556 1.00 1 A PRO 73.66 1 +ATOM 673 C CG . PRO 85 232 ? A 0.600 -23.206 18.835 1.00 1 A PRO 73.66 1 +ATOM 674 C C . PRO 85 232 ? A 2.030 -26.645 18.907 1.00 1 A PRO 73.66 1 +ATOM 675 O O . PRO 85 232 ? A 1.053 -27.310 19.251 1.00 1 A PRO 73.66 1 +ATOM 676 N N . GLY 86 233 ? A 3.288 -27.119 18.904 1.00 1 A GLY 23.44 1 +ATOM 677 C CA . GLY 86 233 ? A 3.597 -28.425 19.406 1.00 1 A GLY 23.44 1 +ATOM 678 C C . GLY 86 233 ? A 3.264 -29.492 18.403 1.00 1 A GLY 23.44 1 +ATOM 679 O O . GLY 86 233 ? A 3.342 -30.676 18.730 1.00 1 A GLY 23.44 1 +ATOM 680 N N . LYS 87 234 ? A 2.884 -29.133 17.160 1.00 1 A LYS 72.94 1 +ATOM 681 C CA . LYS 87 234 ? A 2.565 -30.187 16.233 1.00 1 A LYS 72.94 1 +ATOM 682 C CB . LYS 87 234 ? A 1.072 -30.296 15.881 1.00 1 A LYS 72.94 1 +ATOM 683 C CG . LYS 87 234 ? A 0.167 -30.773 17.016 1.00 1 A LYS 72.94 1 +ATOM 684 C CD . LYS 87 234 ? A -1.319 -30.638 16.673 1.00 1 A LYS 72.94 1 +ATOM 685 C CE . LYS 87 234 ? A -2.256 -31.275 17.700 1.00 1 A LYS 72.94 1 +ATOM 686 N NZ . LYS 87 234 ? A -2.497 -30.338 18.818 1.00 1 A LYS 72.94 1 +ATOM 687 C C . LYS 87 234 ? A 3.247 -29.928 14.926 1.00 1 A LYS 72.94 1 +ATOM 688 O O . LYS 87 234 ? A 3.525 -28.786 14.564 1.00 1 A LYS 72.94 1 +ATOM 689 N N . ASN 88 235 ? A 3.532 -31.015 14.178 1.00 1 A ASN 87.14 1 +ATOM 690 C CA . ASN 88 235 ? A 4.102 -30.891 12.868 1.00 1 A ASN 87.14 1 +ATOM 691 C CB . ASN 88 235 ? A 4.715 -32.196 12.323 1.00 1 A ASN 87.14 1 +ATOM 692 C CG . ASN 88 235 ? A 3.630 -33.260 12.239 1.00 1 A ASN 87.14 1 +ATOM 693 O OD1 . ASN 88 235 ? A 2.510 -33.063 12.706 1.00 1 A ASN 87.14 1 +ATOM 694 N ND2 . ASN 88 235 ? A 3.978 -34.432 11.640 1.00 1 A ASN 87.14 1 +ATOM 695 C C . ASN 88 235 ? A 2.981 -30.460 11.974 1.00 1 A ASN 87.14 1 +ATOM 696 O O . ASN 88 235 ? A 1.815 -30.559 12.352 1.00 1 A ASN 87.14 1 +ATOM 697 N N . PRO 89 236 ? A 3.281 -29.968 10.803 1.00 1 A PRO 148.62 1 +ATOM 698 C CA . PRO 89 236 ? A 2.236 -29.473 9.951 1.00 1 A PRO 148.62 1 +ATOM 699 C CD . PRO 89 236 ? A 4.554 -29.316 10.547 1.00 1 A PRO 148.62 1 +ATOM 700 C CB . PRO 89 236 ? A 2.943 -28.746 8.810 1.00 1 A PRO 148.62 1 +ATOM 701 C CG . PRO 89 236 ? A 4.265 -28.280 9.446 1.00 1 A PRO 148.62 1 +ATOM 702 C C . PRO 89 236 ? A 1.318 -30.556 9.499 1.00 1 A PRO 148.62 1 +ATOM 703 O O . PRO 89 236 ? A 1.771 -31.680 9.287 1.00 1 A PRO 148.62 1 +ATOM 704 N N . ARG 90 237 ? A 0.015 -30.237 9.366 1.00 1 A ARG 99.66 1 +ATOM 705 C CA . ARG 90 237 ? A -0.922 -31.214 8.904 1.00 1 A ARG 99.66 1 +ATOM 706 C CB . ARG 90 237 ? A -1.710 -31.893 10.037 1.00 1 A ARG 99.66 1 +ATOM 707 C CG . ARG 90 237 ? A -2.576 -33.058 9.557 1.00 1 A ARG 99.66 1 +ATOM 708 C CD . ARG 90 237 ? A -3.260 -33.822 10.690 1.00 1 A ARG 99.66 1 +ATOM 709 N NE . ARG 90 237 ? A -3.992 -34.962 10.074 1.00 1 A ARG 99.66 1 +ATOM 710 C CZ . ARG 90 237 ? A -3.921 -36.200 10.644 1.00 1 A ARG 99.66 1 +ATOM 711 N NH1 . ARG 90 237 ? A -3.185 -36.385 11.778 1.00 1 A ARG 99.66 1 +ATOM 712 N NH2 . ARG 90 237 ? A -4.582 -37.250 10.077 1.00 1 A ARG 99.66 1 +ATOM 713 C C . ARG 90 237 ? A -1.904 -30.515 8.021 1.00 1 A ARG 99.66 1 +ATOM 714 O O . ARG 90 237 ? A -2.229 -29.348 8.238 1.00 1 A ARG 99.66 1 +ATOM 715 N N . ALA 91 238 ? A -2.395 -31.219 6.983 1.00 1 A ALA 28.92 1 +ATOM 716 C CA . ALA 91 238 ? A -3.351 -30.623 6.098 1.00 1 A ALA 28.92 1 +ATOM 717 C CB . ALA 91 238 ? A -3.071 -30.901 4.611 1.00 1 A ALA 28.92 1 +ATOM 718 C C . ALA 91 238 ? A -4.678 -31.230 6.421 1.00 1 A ALA 28.92 1 +ATOM 719 O O . ALA 91 238 ? A -4.804 -32.449 6.527 1.00 1 A ALA 28.92 1 +ATOM 720 N N . VAL 92 239 ? A -5.705 -30.378 6.612 1.00 1 A VAL 37.02 1 +ATOM 721 C CA . VAL 92 239 ? A -7.015 -30.884 6.893 1.00 1 A VAL 37.02 1 +ATOM 722 C CB . VAL 92 239 ? A -7.526 -30.456 8.238 1.00 1 A VAL 37.02 1 +ATOM 723 C CG1 . VAL 92 239 ? A -8.950 -31.002 8.429 1.00 1 A VAL 37.02 1 +ATOM 724 C CG2 . VAL 92 239 ? A -6.522 -30.926 9.305 1.00 1 A VAL 37.02 1 +ATOM 725 C C . VAL 92 239 ? A -7.930 -30.319 5.853 1.00 1 A VAL 37.02 1 +ATOM 726 O O . VAL 92 239 ? A -7.969 -29.109 5.635 1.00 1 A VAL 37.02 1 +ATOM 727 N N . GLN 93 240 ? A -8.700 -31.192 5.177 1.00 1 A GLN 58.34 1 +ATOM 728 C CA . GLN 93 240 ? A -9.559 -30.725 4.127 1.00 1 A GLN 58.34 1 +ATOM 729 C CB . GLN 93 240 ? A -9.742 -31.768 3.013 1.00 1 A GLN 58.34 1 +ATOM 730 C CG . GLN 93 240 ? A -10.552 -31.274 1.817 1.00 1 A GLN 58.34 1 +ATOM 731 C CD . GLN 93 240 ? A -10.312 -32.262 0.686 1.00 1 A GLN 58.34 1 +ATOM 732 O OE1 . GLN 93 240 ? A -9.186 -32.426 0.219 1.00 1 A GLN 58.34 1 +ATOM 733 N NE2 . GLN 93 240 ? A -11.395 -32.948 0.235 1.00 1 A GLN 58.34 1 +ATOM 734 C C . GLN 93 240 ? A -10.896 -30.385 4.709 1.00 1 A GLN 58.34 1 +ATOM 735 O O . GLN 93 240 ? A -11.437 -31.135 5.520 1.00 1 A GLN 58.34 1 +ATOM 736 N N . THR 94 241 ? A -11.460 -29.220 4.320 1.00 1 A THR 131.00 1 +ATOM 737 C CA . THR 94 241 ? A -12.750 -28.834 4.827 1.00 1 A THR 131.00 1 +ATOM 738 C CB . THR 94 241 ? A -12.716 -27.823 5.937 1.00 1 A THR 131.00 1 +ATOM 739 O OG1 . THR 94 241 ? A -12.167 -26.606 5.455 1.00 1 A THR 131.00 1 +ATOM 740 C CG2 . THR 94 241 ? A -11.884 -28.342 7.110 1.00 1 A THR 131.00 1 +ATOM 741 C C . THR 94 241 ? A -13.475 -28.098 3.751 1.00 1 A THR 131.00 1 +ATOM 742 O O . THR 94 241 ? A -12.878 -27.632 2.783 1.00 1 A THR 131.00 1 +ATOM 743 N N . LYS 95 242 ? A -14.809 -27.979 3.903 1.00 1 A LYS 123.81 1 +ATOM 744 C CA . LYS 95 242 ? A -15.556 -27.172 2.987 1.00 1 A LYS 123.81 1 +ATOM 745 C CB . LYS 95 242 ? A -16.728 -27.905 2.314 1.00 1 A LYS 123.81 1 +ATOM 746 C CG . LYS 95 242 ? A -17.790 -28.439 3.271 1.00 1 A LYS 123.81 1 +ATOM 747 C CD . LYS 95 242 ? A -19.031 -28.935 2.531 1.00 1 A LYS 123.81 1 +ATOM 748 C CE . LYS 95 242 ? A -18.704 -29.916 1.404 1.00 1 A LYS 123.81 1 +ATOM 749 N NZ . LYS 95 242 ? A -19.942 -30.307 0.696 1.00 1 A LYS 123.81 1 +ATOM 750 C C . LYS 95 242 ? A -16.076 -26.012 3.782 1.00 1 A LYS 123.81 1 +ATOM 751 O O . LYS 95 242 ? A -16.796 -26.180 4.765 1.00 1 A LYS 123.81 1 +ATOM 752 N N . PRO 96 243 ? A -15.702 -24.828 3.372 1.00 1 A PRO 79.60 1 +ATOM 753 C CA . PRO 96 243 ? A -16.128 -23.648 4.076 1.00 1 A PRO 79.60 1 +ATOM 754 C CD . PRO 96 243 ? A -14.383 -24.651 2.784 1.00 1 A PRO 79.60 1 +ATOM 755 C CB . PRO 96 243 ? A -15.224 -22.518 3.584 1.00 1 A PRO 79.60 1 +ATOM 756 C CG . PRO 96 243 ? A -13.923 -23.240 3.194 1.00 1 A PRO 79.60 1 +ATOM 757 C C . PRO 96 243 ? A -17.588 -23.398 3.860 1.00 1 A PRO 79.60 1 +ATOM 758 O O . PRO 96 243 ? A -18.163 -23.974 2.937 1.00 1 A PRO 79.60 1 +ATOM 759 N N . GLY 97 244 ? A -18.210 -22.558 4.714 1.00 1 A GLY 21.92 1 +ATOM 760 C CA . GLY 97 244 ? A -19.611 -22.286 4.575 1.00 1 A GLY 21.92 1 +ATOM 761 C C . GLY 97 244 ? A -19.802 -20.807 4.478 1.00 1 A GLY 21.92 1 +ATOM 762 O O . GLY 97 244 ? A -18.896 -20.026 4.765 1.00 1 A GLY 21.92 1 +ATOM 763 N N . LEU 98 245 ? A -21.010 -20.387 4.050 1.00 1 A LEU 47.43 1 +ATOM 764 C CA . LEU 98 245 ? A -21.317 -18.987 3.963 1.00 1 A LEU 47.43 1 +ATOM 765 C CB . LEU 98 245 ? A -22.209 -18.606 2.767 1.00 1 A LEU 47.43 1 +ATOM 766 C CG . LEU 98 245 ? A -21.502 -18.737 1.406 1.00 1 A LEU 47.43 1 +ATOM 767 C CD1 . LEU 98 245 ? A -22.433 -18.343 0.248 1.00 1 A LEU 47.43 1 +ATOM 768 C CD2 . LEU 98 245 ? A -20.183 -17.947 1.394 1.00 1 A LEU 47.43 1 +ATOM 769 C C . LEU 98 245 ? A -22.060 -18.612 5.206 1.00 1 A LEU 47.43 1 +ATOM 770 O O . LEU 98 245 ? A -22.968 -19.323 5.637 1.00 1 A LEU 47.43 1 +ATOM 771 N N . PHE 99 246 ? A -21.679 -17.480 5.830 1.00 1 A PHE 51.79 1 +ATOM 772 C CA . PHE 99 246 ? A -22.343 -17.069 7.037 1.00 1 A PHE 51.79 1 +ATOM 773 C CB . PHE 99 246 ? A -21.440 -17.126 8.285 1.00 1 A PHE 51.79 1 +ATOM 774 C CG . PHE 99 246 ? A -20.981 -18.527 8.505 1.00 1 A PHE 51.79 1 +ATOM 775 C CD1 . PHE 99 246 ? A -19.898 -19.017 7.812 1.00 1 A PHE 51.79 1 +ATOM 776 C CD2 . PHE 99 246 ? A -21.617 -19.345 9.409 1.00 1 A PHE 51.79 1 +ATOM 777 C CE1 . PHE 99 246 ? A -19.462 -20.305 8.010 1.00 1 A PHE 51.79 1 +ATOM 778 C CE2 . PHE 99 246 ? A -21.184 -20.635 9.612 1.00 1 A PHE 51.79 1 +ATOM 779 C CZ . PHE 99 246 ? A -20.105 -21.118 8.912 1.00 1 A PHE 51.79 1 +ATOM 780 C C . PHE 99 246 ? A -22.711 -15.626 6.897 1.00 1 A PHE 51.79 1 +ATOM 781 O O . PHE 99 246 ? A -21.980 -14.845 6.290 1.00 1 A PHE 51.79 1 +ATOM 782 N N . LYS 100 247 ? A -23.872 -15.229 7.458 1.00 1 A LYS 89.32 1 +ATOM 783 C CA . LYS 100 247 ? A -24.229 -13.842 7.396 1.00 1 A LYS 89.32 1 +ATOM 784 C CB . LYS 100 247 ? A -25.729 -13.565 7.205 1.00 1 A LYS 89.32 1 +ATOM 785 C CG . LYS 100 247 ? A -26.156 -13.758 5.748 1.00 1 A LYS 89.32 1 +ATOM 786 C CD . LYS 100 247 ? A -27.666 -13.736 5.526 1.00 1 A LYS 89.32 1 +ATOM 787 C CE . LYS 100 247 ? A -28.064 -13.768 4.049 1.00 1 A LYS 89.32 1 +ATOM 788 N NZ . LYS 100 247 ? A -27.631 -12.519 3.381 1.00 1 A LYS 89.32 1 +ATOM 789 C C . LYS 100 247 ? A -23.726 -13.147 8.621 1.00 1 A LYS 89.32 1 +ATOM 790 O O . LYS 100 247 ? A -23.590 -13.744 9.689 1.00 1 A LYS 89.32 1 +ATOM 791 N N . THR 101 248 ? A -23.393 -11.850 8.461 1.00 1 A THR 41.20 1 +ATOM 792 C CA . THR 101 248 ? A -22.899 -11.023 9.523 1.00 1 A THR 41.20 1 +ATOM 793 C CB . THR 101 248 ? A -21.410 -10.837 9.487 1.00 1 A THR 41.20 1 +ATOM 794 O OG1 . THR 101 248 ? A -21.030 -10.140 8.310 1.00 1 A THR 41.20 1 +ATOM 795 C CG2 . THR 101 248 ? A -20.741 -12.223 9.512 1.00 1 A THR 41.20 1 +ATOM 796 C C . THR 101 248 ? A -23.516 -9.674 9.311 1.00 1 A THR 41.20 1 +ATOM 797 O O . THR 101 248 ? A -24.337 -9.495 8.414 1.00 1 A THR 41.20 1 +ATOM 798 N N . ASN 102 249 ? A -23.160 -8.691 10.163 1.00 1 A ASN 81.02 1 +ATOM 799 C CA . ASN 102 249 ? A -23.684 -7.360 10.022 1.00 1 A ASN 81.02 1 +ATOM 800 C CB . ASN 102 249 ? A -23.320 -6.431 11.198 1.00 1 A ASN 81.02 1 +ATOM 801 C CG . ASN 102 249 ? A -21.807 -6.293 11.293 1.00 1 A ASN 81.02 1 +ATOM 802 O OD1 . ASN 102 249 ? A -21.083 -7.283 11.378 1.00 1 A ASN 81.02 1 +ATOM 803 N ND2 . ASN 102 249 ? A -21.313 -5.026 11.289 1.00 1 A ASN 81.02 1 +ATOM 804 C C . ASN 102 249 ? A -23.161 -6.755 8.749 1.00 1 A ASN 81.02 1 +ATOM 805 O O . ASN 102 249 ? A -23.878 -6.036 8.055 1.00 1 A ASN 81.02 1 +ATOM 806 N N . ALA 103 250 ? A -21.885 -7.041 8.416 1.00 1 A ALA 65.77 1 +ATOM 807 C CA . ALA 103 250 ? A -21.219 -6.530 7.245 1.00 1 A ALA 65.77 1 +ATOM 808 C CB . ALA 103 250 ? A -19.750 -6.975 7.151 1.00 1 A ALA 65.77 1 +ATOM 809 C C . ALA 103 250 ? A -21.923 -7.033 6.016 1.00 1 A ALA 65.77 1 +ATOM 810 O O . ALA 103 250 ? A -22.067 -6.294 5.042 1.00 1 A ALA 65.77 1 +ATOM 811 N N . GLY 104 251 ? A -22.410 -8.295 6.041 1.00 1 A GLY 211.22 1 +ATOM 812 C CA . GLY 104 251 ? A -23.141 -8.822 4.917 1.00 1 A GLY 211.22 1 +ATOM 813 C C . GLY 104 251 ? A -23.027 -10.317 4.805 1.00 1 A GLY 211.22 1 +ATOM 814 O O . GLY 104 251 ? A -23.928 -11.005 5.280 1.00 1 A GLY 211.22 1 +ATOM 815 N N . THR 105 252 ? A -21.966 -10.882 4.190 1.00 1 A THR 167.23 1 +ATOM 816 C CA . THR 105 252 ? A -21.866 -12.322 4.131 1.00 1 A THR 167.23 1 +ATOM 817 C CB . THR 105 252 ? A -22.659 -12.993 3.041 1.00 1 A THR 167.23 1 +ATOM 818 O OG1 . THR 105 252 ? A -22.403 -12.380 1.789 1.00 1 A THR 167.23 1 +ATOM 819 C CG2 . THR 105 252 ? A -24.152 -12.973 3.378 1.00 1 A THR 167.23 1 +ATOM 820 C C . THR 105 252 ? A -20.440 -12.697 3.924 1.00 1 A THR 167.23 1 +ATOM 821 O O . THR 105 252 ? A -19.693 -12.004 3.234 1.00 1 A THR 167.23 1 +ATOM 822 N N . ILE 106 253 ? A -20.030 -13.836 4.512 1.00 1 A ILE 62.22 1 +ATOM 823 C CA . ILE 106 253 ? A -18.657 -14.216 4.396 1.00 1 A ILE 62.22 1 +ATOM 824 C CB . ILE 106 253 ? A -17.859 -13.856 5.616 1.00 1 A ILE 62.22 1 +ATOM 825 C CG2 . ILE 106 253 ? A -17.848 -12.324 5.753 1.00 1 A ILE 62.22 1 +ATOM 826 C CG1 . ILE 106 253 ? A -18.422 -14.584 6.848 1.00 1 A ILE 62.22 1 +ATOM 827 C CD1 . ILE 106 253 ? A -17.539 -14.469 8.087 1.00 1 A ILE 62.22 1 +ATOM 828 C C . ILE 106 253 ? A -18.556 -15.698 4.224 1.00 1 A ILE 62.22 1 +ATOM 829 O O . ILE 106 253 ? A -19.500 -16.443 4.485 1.00 1 A ILE 62.22 1 +ATOM 830 N N . GLY 107 254 ? A -17.387 -16.150 3.725 1.00 1 A GLY 37.06 1 +ATOM 831 C CA . GLY 107 254 ? A -17.100 -17.550 3.639 1.00 1 A GLY 37.06 1 +ATOM 832 C C . GLY 107 254 ? A -16.217 -17.802 4.821 1.00 1 A GLY 37.06 1 +ATOM 833 O O . GLY 107 254 ? A -15.385 -16.960 5.156 1.00 1 A GLY 37.06 1 +ATOM 834 N N . ALA 108 255 ? A -16.370 -18.957 5.499 1.00 1 A ALA 46.89 1 +ATOM 835 C CA . ALA 108 255 ? A -15.559 -19.157 6.665 1.00 1 A ALA 46.89 1 +ATOM 836 C CB . ALA 108 255 ? A -16.135 -18.487 7.924 1.00 1 A ALA 46.89 1 +ATOM 837 C C . ALA 108 255 ? A -15.441 -20.620 6.958 1.00 1 A ALA 46.89 1 +ATOM 838 O O . ALA 108 255 ? A -16.243 -21.435 6.506 1.00 1 A ALA 46.89 1 +ATOM 839 N N . VAL 109 256 ? A -14.397 -20.980 7.729 1.00 1 A VAL 137.17 1 +ATOM 840 C CA . VAL 109 256 ? A -14.172 -22.330 8.151 1.00 1 A VAL 137.17 1 +ATOM 841 C CB . VAL 109 256 ? A -12.868 -22.882 7.628 1.00 1 A VAL 137.17 1 +ATOM 842 C CG1 . VAL 109 256 ? A -11.757 -21.847 7.833 1.00 1 A VAL 137.17 1 +ATOM 843 C CG2 . VAL 109 256 ? A -12.572 -24.231 8.296 1.00 1 A VAL 137.17 1 +ATOM 844 C C . VAL 109 256 ? A -14.247 -22.340 9.655 1.00 1 A VAL 137.17 1 +ATOM 845 O O . VAL 109 256 ? A -14.157 -21.298 10.301 1.00 1 A VAL 137.17 1 +ATOM 846 N N . SER 110 257 ? A -14.482 -23.528 10.249 1.00 1 A SER 43.03 1 +ATOM 847 C CA . SER 110 257 ? A -14.659 -23.658 11.671 1.00 1 A SER 43.03 1 +ATOM 848 C CB . SER 110 257 ? A -15.212 -25.036 12.078 1.00 1 A SER 43.03 1 +ATOM 849 O OG . SER 110 257 ? A -15.366 -25.111 13.487 1.00 1 A SER 43.03 1 +ATOM 850 C C . SER 110 257 ? A -13.346 -23.463 12.371 1.00 1 A SER 43.03 1 +ATOM 851 O O . SER 110 257 ? A -12.282 -23.712 11.806 1.00 1 A SER 43.03 1 +ATOM 852 N N . LEU 111 258 ? A -13.407 -23.005 13.643 1.00 1 A LEU 73.13 1 +ATOM 853 C CA . LEU 111 258 ? A -12.218 -22.769 14.425 1.00 1 A LEU 73.13 1 +ATOM 854 C CB . LEU 111 258 ? A -12.449 -21.765 15.568 1.00 1 A LEU 73.13 1 +ATOM 855 C CG . LEU 111 258 ? A -12.807 -20.344 15.097 1.00 1 A LEU 73.13 1 +ATOM 856 C CD1 . LEU 111 258 ? A -13.025 -19.404 16.292 1.00 1 A LEU 73.13 1 +ATOM 857 C CD2 . LEU 111 258 ? A -11.761 -19.805 14.106 1.00 1 A LEU 73.13 1 +ATOM 858 C C . LEU 111 258 ? A -11.843 -24.073 15.066 1.00 1 A LEU 73.13 1 +ATOM 859 O O . LEU 111 258 ? A -12.065 -24.294 16.256 1.00 1 A LEU 73.13 1 +ATOM 860 N N . ASP 112 259 ? A -11.284 -24.970 14.241 1.00 1 A ASP 97.98 1 +ATOM 861 C CA . ASP 112 259 ? A -10.866 -26.312 14.536 1.00 1 A ASP 97.98 1 +ATOM 862 C CB . ASP 112 259 ? A -10.867 -27.185 13.272 1.00 1 A ASP 97.98 1 +ATOM 863 C CG . ASP 112 259 ? A -12.316 -27.287 12.817 1.00 1 A ASP 97.98 1 +ATOM 864 O OD1 . ASP 112 259 ? A -13.215 -26.959 13.637 1.00 1 A ASP 97.98 1 +ATOM 865 O OD2 . ASP 112 259 ? A -12.544 -27.690 11.645 1.00 1 A ASP 97.98 1 +ATOM 866 C C . ASP 112 259 ? A -9.503 -26.414 15.166 1.00 1 A ASP 97.98 1 +ATOM 867 O O . ASP 112 259 ? A -9.134 -27.491 15.634 1.00 1 A ASP 97.98 1 +ATOM 868 N N . PHE 113 260 ? A -8.673 -25.352 15.133 1.00 1 A PHE 78.65 1 +ATOM 869 C CA . PHE 113 260 ? A -7.310 -25.536 15.564 1.00 1 A PHE 78.65 1 +ATOM 870 C CB . PHE 113 260 ? A -6.310 -25.209 14.445 1.00 1 A PHE 78.65 1 +ATOM 871 C CG . PHE 113 260 ? A -6.621 -26.109 13.300 1.00 1 A PHE 78.65 1 +ATOM 872 C CD1 . PHE 113 260 ? A -6.055 -27.359 13.209 1.00 1 A PHE 78.65 1 +ATOM 873 C CD2 . PHE 113 260 ? A -7.493 -25.697 12.317 1.00 1 A PHE 78.65 1 +ATOM 874 C CE1 . PHE 113 260 ? A -6.347 -28.184 12.148 1.00 1 A PHE 78.65 1 +ATOM 875 C CE2 . PHE 113 260 ? A -7.789 -26.518 11.255 1.00 1 A PHE 78.65 1 +ATOM 876 C CZ . PHE 113 260 ? A -7.217 -27.764 11.170 1.00 1 A PHE 78.65 1 +ATOM 877 C C . PHE 113 260 ? A -6.985 -24.622 16.706 1.00 1 A PHE 78.65 1 +ATOM 878 O O . PHE 113 260 ? A -7.807 -23.825 17.152 1.00 1 A PHE 78.65 1 +ATOM 879 N N . SER 114 261 ? A -5.744 -24.750 17.224 1.00 1 A SER 41.50 1 +ATOM 880 C CA . SER 114 261 ? A -5.275 -23.934 18.308 1.00 1 A SER 41.50 1 +ATOM 881 C CB . SER 114 261 ? A -3.850 -24.300 18.758 1.00 1 A SER 41.50 1 +ATOM 882 O OG . SER 114 261 ? A -3.431 -23.445 19.810 1.00 1 A SER 41.50 1 +ATOM 883 C C . SER 114 261 ? A -5.244 -22.520 17.820 1.00 1 A SER 41.50 1 +ATOM 884 O O . SER 114 261 ? A -5.060 -22.272 16.631 1.00 1 A SER 41.50 1 +ATOM 885 N N . PRO 115 262 ? A -5.437 -21.582 18.710 1.00 1 A PRO 66.79 1 +ATOM 886 C CA . PRO 115 262 ? A -5.411 -20.195 18.330 1.00 1 A PRO 66.79 1 +ATOM 887 C CD . PRO 115 262 ? A -6.263 -21.811 19.884 1.00 1 A PRO 66.79 1 +ATOM 888 C CB . PRO 115 262 ? A -5.893 -19.425 19.555 1.00 1 A PRO 66.79 1 +ATOM 889 C CG . PRO 115 262 ? A -6.823 -20.428 20.264 1.00 1 A PRO 66.79 1 +ATOM 890 C C . PRO 115 262 ? A -4.041 -19.820 17.856 1.00 1 A PRO 66.79 1 +ATOM 891 O O . PRO 115 262 ? A -3.904 -18.838 17.130 1.00 1 A PRO 66.79 1 +ATOM 892 N N . GLY 116 263 ? A -3.025 -20.600 18.263 1.00 1 A GLY 55.10 1 +ATOM 893 C CA . GLY 116 263 ? A -1.636 -20.429 17.935 1.00 1 A GLY 55.10 1 +ATOM 894 C C . GLY 116 263 ? A -1.443 -20.628 16.461 1.00 1 A GLY 55.10 1 +ATOM 895 O O . GLY 116 263 ? A -0.407 -20.263 15.911 1.00 1 A GLY 55.10 1 +ATOM 896 N N . THR 117 264 ? A -2.396 -21.330 15.824 1.00 1 A THR 69.11 1 +ATOM 897 C CA . THR 117 264 ? A -2.411 -21.673 14.427 1.00 1 A THR 69.11 1 +ATOM 898 C CB . THR 117 264 ? A -3.509 -22.642 14.103 1.00 1 A THR 69.11 1 +ATOM 899 O OG1 . THR 117 264 ? A -3.371 -23.809 14.902 1.00 1 A THR 69.11 1 +ATOM 900 C CG2 . THR 117 264 ? A -3.419 -23.013 12.614 1.00 1 A THR 69.11 1 +ATOM 901 C C . THR 117 264 ? A -2.611 -20.461 13.559 1.00 1 A THR 69.11 1 +ATOM 902 O O . THR 117 264 ? A -2.305 -20.508 12.367 1.00 1 A THR 69.11 1 +ATOM 903 N N . SER 118 265 ? A -3.177 -19.367 14.114 1.00 1 A SER 101.38 1 +ATOM 904 C CA . SER 118 265 ? A -3.526 -18.191 13.358 1.00 1 A SER 101.38 1 +ATOM 905 C CB . SER 118 265 ? A -3.905 -16.991 14.243 1.00 1 A SER 101.38 1 +ATOM 906 O OG . SER 118 265 ? A -2.803 -16.619 15.056 1.00 1 A SER 101.38 1 +ATOM 907 C C . SER 118 265 ? A -2.412 -17.782 12.445 1.00 1 A SER 101.38 1 +ATOM 908 O O . SER 118 265 ? A -1.253 -17.666 12.844 1.00 1 A SER 101.38 1 +ATOM 909 N N . GLY 119 266 ? A -2.770 -17.537 11.165 1.00 1 A GLY 33.44 1 +ATOM 910 C CA . GLY 119 266 ? A -1.808 -17.155 10.172 1.00 1 A GLY 33.44 1 +ATOM 911 C C . GLY 119 266 ? A -1.513 -18.301 9.242 1.00 1 A GLY 33.44 1 +ATOM 912 O O . GLY 119 266 ? A -0.904 -18.095 8.192 1.00 1 A GLY 33.44 1 +ATOM 913 N N . SER 120 267 ? A -1.940 -19.538 9.576 1.00 1 A SER 40.31 1 +ATOM 914 C CA . SER 120 267 ? A -1.644 -20.651 8.709 1.00 1 A SER 40.31 1 +ATOM 915 C CB . SER 120 267 ? A -1.956 -22.024 9.334 1.00 1 A SER 40.31 1 +ATOM 916 O OG . SER 120 267 ? A -1.097 -22.265 10.439 1.00 1 A SER 40.31 1 +ATOM 917 C C . SER 120 267 ? A -2.464 -20.514 7.460 1.00 1 A SER 40.31 1 +ATOM 918 O O . SER 120 267 ? A -3.572 -19.981 7.478 1.00 1 A SER 40.31 1 +ATOM 919 N N . PRO 121 268 ? A -1.930 -20.980 6.360 1.00 1 A PRO 85.73 1 +ATOM 920 C CA . PRO 121 268 ? A -2.602 -20.839 5.096 1.00 1 A PRO 85.73 1 +ATOM 921 C CD . PRO 121 268 ? A -0.491 -21.100 6.202 1.00 1 A PRO 85.73 1 +ATOM 922 C CB . PRO 121 268 ? A -1.516 -20.941 4.021 1.00 1 A PRO 85.73 1 +ATOM 923 C CG . PRO 121 268 ? A -0.310 -21.562 4.748 1.00 1 A PRO 85.73 1 +ATOM 924 C C . PRO 121 268 ? A -3.737 -21.782 4.866 1.00 1 A PRO 85.73 1 +ATOM 925 O O . PRO 121 268 ? A -3.679 -22.930 5.307 1.00 1 A PRO 85.73 1 +ATOM 926 N N . ILE 122 269 ? A -4.772 -21.295 4.156 1.00 1 A ILE 64.23 1 +ATOM 927 C CA . ILE 122 269 ? A -5.878 -22.098 3.727 1.00 1 A ILE 64.23 1 +ATOM 928 C CB . ILE 122 269 ? A -7.217 -21.487 4.040 1.00 1 A ILE 64.23 1 +ATOM 929 C CG2 . ILE 122 269 ? A -8.308 -22.360 3.396 1.00 1 A ILE 64.23 1 +ATOM 930 C CG1 . ILE 122 269 ? A -7.391 -21.316 5.559 1.00 1 A ILE 64.23 1 +ATOM 931 C CD1 . ILE 122 269 ? A -8.610 -20.476 5.938 1.00 1 A ILE 64.23 1 +ATOM 932 C C . ILE 122 269 ? A -5.721 -22.109 2.238 1.00 1 A ILE 64.23 1 +ATOM 933 O O . ILE 122 269 ? A -5.720 -21.054 1.605 1.00 1 A ILE 64.23 1 +ATOM 934 N N . ILE 123 270 ? A -5.600 -23.307 1.635 1.00 1 A ILE 128.67 1 +ATOM 935 C CA . ILE 123 270 ? A -5.217 -23.372 0.250 1.00 1 A ILE 128.67 1 +ATOM 936 C CB . ILE 123 270 ? A -3.933 -24.128 0.076 1.00 1 A ILE 128.67 1 +ATOM 937 C CG2 . ILE 123 270 ? A -4.207 -25.599 0.428 1.00 1 A ILE 128.67 1 +ATOM 938 C CG1 . ILE 123 270 ? A -3.332 -23.921 -1.319 1.00 1 A ILE 128.67 1 +ATOM 939 C CD1 . ILE 123 270 ? A -1.886 -24.410 -1.397 1.00 1 A ILE 128.67 1 +ATOM 940 C C . ILE 123 270 ? A -6.253 -24.068 -0.578 1.00 1 A ILE 128.67 1 +ATOM 941 O O . ILE 123 270 ? A -6.966 -24.956 -0.111 1.00 1 A ILE 128.67 1 +ATOM 942 N N . ASP 124 271 ? A -6.372 -23.627 -1.849 1.00 1 A ASP 56.49 1 +ATOM 943 C CA . ASP 124 271 ? A -7.264 -24.224 -2.800 1.00 1 A ASP 56.49 1 +ATOM 944 C CB . ASP 124 271 ? A -7.885 -23.198 -3.771 1.00 1 A ASP 56.49 1 +ATOM 945 C CG . ASP 124 271 ? A -6.788 -22.425 -4.498 1.00 1 A ASP 56.49 1 +ATOM 946 O OD1 . ASP 124 271 ? A -5.625 -22.906 -4.546 1.00 1 A ASP 56.49 1 +ATOM 947 O OD2 . ASP 124 271 ? A -7.107 -21.316 -5.004 1.00 1 A ASP 56.49 1 +ATOM 948 C C . ASP 124 271 ? A -6.532 -25.295 -3.561 1.00 1 A ASP 56.49 1 +ATOM 949 O O . ASP 124 271 ? A -5.357 -25.562 -3.318 1.00 1 A ASP 56.49 1 +ATOM 950 N N . LYS 125 272 ? A -7.231 -25.930 -4.523 1.00 1 A LYS 59.41 1 +ATOM 951 C CA . LYS 125 272 ? A -6.709 -27.025 -5.298 1.00 1 A LYS 59.41 1 +ATOM 952 C CB . LYS 125 272 ? A -7.724 -27.570 -6.317 1.00 1 A LYS 59.41 1 +ATOM 953 C CG . LYS 125 272 ? A -8.940 -28.248 -5.684 1.00 1 A LYS 59.41 1 +ATOM 954 C CD . LYS 125 272 ? A -10.072 -28.514 -6.680 1.00 1 A LYS 59.41 1 +ATOM 955 C CE . LYS 125 272 ? A -11.286 -29.209 -6.060 1.00 1 A LYS 59.41 1 +ATOM 956 N NZ . LYS 125 272 ? A -12.071 -28.241 -5.262 1.00 1 A LYS 59.41 1 +ATOM 957 C C . LYS 125 272 ? A -5.519 -26.561 -6.079 1.00 1 A LYS 59.41 1 +ATOM 958 O O . LYS 125 272 ? A -4.577 -27.322 -6.305 1.00 1 A LYS 59.41 1 +ATOM 959 N N . LYS 126 273 ? A -5.555 -25.298 -6.537 1.00 1 A LYS 112.49 1 +ATOM 960 C CA . LYS 126 273 ? A -4.501 -24.716 -7.318 1.00 1 A LYS 112.49 1 +ATOM 961 C CB . LYS 126 273 ? A -4.827 -23.307 -7.841 1.00 1 A LYS 112.49 1 +ATOM 962 C CG . LYS 126 273 ? A -5.963 -23.276 -8.865 1.00 1 A LYS 112.49 1 +ATOM 963 C CD . LYS 126 273 ? A -6.310 -21.865 -9.345 1.00 1 A LYS 112.49 1 +ATOM 964 C CE . LYS 126 273 ? A -6.738 -20.915 -8.226 1.00 1 A LYS 112.49 1 +ATOM 965 N NZ . LYS 126 273 ? A -8.055 -21.324 -7.691 1.00 1 A LYS 112.49 1 +ATOM 966 C C . LYS 126 273 ? A -3.271 -24.609 -6.474 1.00 1 A LYS 112.49 1 +ATOM 967 O O . LYS 126 273 ? A -2.160 -24.567 -6.995 1.00 1 A LYS 112.49 1 +ATOM 968 N N . GLY 127 274 ? A -3.424 -24.528 -5.140 1.00 1 A GLY 28.56 1 +ATOM 969 C CA . GLY 127 274 ? A -2.255 -24.399 -4.321 1.00 1 A GLY 28.56 1 +ATOM 970 C C . GLY 127 274 ? A -2.115 -22.957 -3.951 1.00 1 A GLY 28.56 1 +ATOM 971 O O . GLY 127 274 ? A -1.118 -22.557 -3.351 1.00 1 A GLY 28.56 1 +ATOM 972 N N . LYS 128 275 ? A -3.122 -22.139 -4.310 1.00 1 A LYS 112.73 1 +ATOM 973 C CA . LYS 128 275 ? A -3.105 -20.744 -3.975 1.00 1 A LYS 112.73 1 +ATOM 974 C CB . LYS 128 275 ? A -3.890 -19.863 -4.961 1.00 1 A LYS 112.73 1 +ATOM 975 C CG . LYS 128 275 ? A -3.172 -19.645 -6.294 1.00 1 A LYS 112.73 1 +ATOM 976 C CD . LYS 128 275 ? A -3.020 -20.903 -7.146 1.00 1 A LYS 112.73 1 +ATOM 977 C CE . LYS 128 275 ? A -2.299 -20.656 -8.472 1.00 1 A LYS 112.73 1 +ATOM 978 N NZ . LYS 128 275 ? A -3.126 -19.794 -9.343 1.00 1 A LYS 112.73 1 +ATOM 979 C C . LYS 128 275 ? A -3.722 -20.575 -2.623 1.00 1 A LYS 112.73 1 +ATOM 980 O O . LYS 128 275 ? A -4.528 -21.397 -2.187 1.00 1 A LYS 112.73 1 +ATOM 981 N N . VAL 129 276 ? A -3.349 -19.488 -1.916 1.00 1 A VAL 47.47 1 +ATOM 982 C CA . VAL 129 276 ? A -3.845 -19.282 -0.585 1.00 1 A VAL 47.47 1 +ATOM 983 C CB . VAL 129 276 ? A -2.839 -18.626 0.313 1.00 1 A VAL 47.47 1 +ATOM 984 C CG1 . VAL 129 276 ? A -3.479 -18.394 1.690 1.00 1 A VAL 47.47 1 +ATOM 985 C CG2 . VAL 129 276 ? A -1.575 -19.503 0.344 1.00 1 A VAL 47.47 1 +ATOM 986 C C . VAL 129 276 ? A -5.059 -18.404 -0.642 1.00 1 A VAL 47.47 1 +ATOM 987 O O . VAL 129 276 ? A -4.993 -17.240 -1.039 1.00 1 A VAL 47.47 1 +ATOM 988 N N . VAL 130 277 ? A -6.218 -18.986 -0.275 1.00 1 A VAL 59.42 1 +ATOM 989 C CA . VAL 130 277 ? A -7.496 -18.331 -0.236 1.00 1 A VAL 59.42 1 +ATOM 990 C CB . VAL 130 277 ? A -8.639 -19.302 -0.179 1.00 1 A VAL 59.42 1 +ATOM 991 C CG1 . VAL 130 277 ? A -8.661 -20.096 -1.496 1.00 1 A VAL 59.42 1 +ATOM 992 C CG2 . VAL 130 277 ? A -8.476 -20.190 1.063 1.00 1 A VAL 59.42 1 +ATOM 993 C C . VAL 130 277 ? A -7.594 -17.407 0.941 1.00 1 A VAL 59.42 1 +ATOM 994 O O . VAL 130 277 ? A -8.284 -16.389 0.878 1.00 1 A VAL 59.42 1 +ATOM 995 N N . GLY 131 278 ? A -6.952 -17.762 2.073 1.00 1 A GLY 25.10 1 +ATOM 996 C CA . GLY 131 278 ? A -7.031 -16.914 3.227 1.00 1 A GLY 25.10 1 +ATOM 997 C C . GLY 131 278 ? A -6.147 -17.491 4.286 1.00 1 A GLY 25.10 1 +ATOM 998 O O . GLY 131 278 ? A -5.486 -18.507 4.074 1.00 1 A GLY 25.10 1 +ATOM 999 N N . LEU 132 279 ? A -6.110 -16.829 5.460 1.00 1 A LEU 47.10 1 +ATOM 1000 C CA . LEU 132 279 ? A -5.302 -17.282 6.551 1.00 1 A LEU 47.10 1 +ATOM 1001 C CB . LEU 132 279 ? A -4.303 -16.224 7.050 1.00 1 A LEU 47.10 1 +ATOM 1002 C CG . LEU 132 279 ? A -3.256 -15.830 5.991 1.00 1 A LEU 47.10 1 +ATOM 1003 C CD1 . LEU 132 279 ? A -2.279 -14.776 6.540 1.00 1 A LEU 47.10 1 +ATOM 1004 C CD2 . LEU 132 279 ? A -2.537 -17.066 5.426 1.00 1 A LEU 47.10 1 +ATOM 1005 C C . LEU 132 279 ? A -6.221 -17.607 7.689 1.00 1 A LEU 47.10 1 +ATOM 1006 O O . LEU 132 279 ? A -7.249 -16.964 7.886 1.00 1 A LEU 47.10 1 +ATOM 1007 N N . TYR 133 280 ? A -5.856 -18.633 8.478 1.00 1 A TYR 75.23 1 +ATOM 1008 C CA . TYR 133 280 ? A -6.650 -19.104 9.577 1.00 1 A TYR 75.23 1 +ATOM 1009 C CB . TYR 133 280 ? A -6.186 -20.487 10.070 1.00 1 A TYR 75.23 1 +ATOM 1010 C CG . TYR 133 280 ? A -7.016 -20.919 11.229 1.00 1 A TYR 75.23 1 +ATOM 1011 C CD1 . TYR 133 280 ? A -8.226 -21.546 11.039 1.00 1 A TYR 75.23 1 +ATOM 1012 C CD2 . TYR 133 280 ? A -6.569 -20.703 12.512 1.00 1 A TYR 75.23 1 +ATOM 1013 C CE1 . TYR 133 280 ? A -8.982 -21.947 12.117 1.00 1 A TYR 75.23 1 +ATOM 1014 C CE2 . TYR 133 280 ? A -7.319 -21.102 13.593 1.00 1 A TYR 75.23 1 +ATOM 1015 C CZ . TYR 133 280 ? A -8.528 -21.724 13.395 1.00 1 A TYR 75.23 1 +ATOM 1016 O OH . TYR 133 280 ? A -9.298 -22.134 14.503 1.00 1 A TYR 75.23 1 +ATOM 1017 C C . TYR 133 280 ? A -6.567 -18.144 10.728 1.00 1 A TYR 75.23 1 +ATOM 1018 O O . TYR 133 280 ? A -5.543 -17.499 10.942 1.00 1 A TYR 75.23 1 +ATOM 1019 N N . GLY 134 281 ? A -7.678 -17.991 11.483 1.00 1 A GLY 51.97 1 +ATOM 1020 C CA . GLY 134 281 ? A -7.583 -17.231 12.701 1.00 1 A GLY 51.97 1 +ATOM 1021 C C . GLY 134 281 ? A -8.199 -15.863 12.644 1.00 1 A GLY 51.97 1 +ATOM 1022 O O . GLY 134 281 ? A -7.987 -15.069 13.560 1.00 1 A GLY 51.97 1 +ATOM 1023 N N . ASN 135 282 ? A -8.947 -15.517 11.582 1.00 1 A ASN 69.61 1 +ATOM 1024 C CA . ASN 135 282 ? A -9.624 -14.248 11.624 1.00 1 A ASN 69.61 1 +ATOM 1025 C CB . ASN 135 282 ? A -9.880 -13.655 10.226 1.00 1 A ASN 69.61 1 +ATOM 1026 C CG . ASN 135 282 ? A -10.596 -12.321 10.383 1.00 1 A ASN 69.61 1 +ATOM 1027 O OD1 . ASN 135 282 ? A -10.874 -11.876 11.495 1.00 1 A ASN 69.61 1 +ATOM 1028 N ND2 . ASN 135 282 ? A -10.920 -11.670 9.234 1.00 1 A ASN 69.61 1 +ATOM 1029 C C . ASN 135 282 ? A -10.967 -14.526 12.227 1.00 1 A ASN 69.61 1 +ATOM 1030 O O . ASN 135 282 ? A -11.915 -14.853 11.515 1.00 1 A ASN 69.61 1 +ATOM 1031 N N . GLY 136 283 ? A -11.089 -14.373 13.564 1.00 1 A GLY 37.55 1 +ATOM 1032 C CA . GLY 136 283 ? A -12.318 -14.698 14.236 1.00 1 A GLY 37.55 1 +ATOM 1033 C C . GLY 136 283 ? A -13.322 -13.624 13.988 1.00 1 A GLY 37.55 1 +ATOM 1034 O O . GLY 136 283 ? A -13.073 -12.444 14.226 1.00 1 A GLY 37.55 1 +ATOM 1035 N N . VAL 137 284 ? A -14.520 -14.035 13.537 1.00 1 A VAL 106.22 1 +ATOM 1036 C CA . VAL 137 284 ? A -15.558 -13.099 13.234 0.70 1 A VAL 106.22 1 +ATOM 1037 C CB . VAL 137 284 ? A -15.716 -12.933 11.749 0.70 1 A VAL 106.22 1 +ATOM 1038 C CG1 . VAL 137 284 ? A -15.831 -14.331 11.123 0.70 1 A VAL 106.22 1 +ATOM 1039 C CG2 . VAL 137 284 ? A -16.914 -12.021 11.459 0.70 1 A VAL 106.22 1 +ATOM 1040 C C . VAL 137 284 ? A -16.825 -13.626 13.829 1.00 1 A VAL 106.22 1 +ATOM 1041 O O . VAL 137 284 ? A -17.004 -14.836 13.959 1.00 1 A VAL 106.22 1 +ATOM 1042 N N . VAL 138 285 ? A -17.741 -12.719 14.223 1.00 1 A VAL 89.63 1 +ATOM 1043 C CA . VAL 138 285 ? A -18.954 -13.155 14.852 0.50 1 A VAL 89.63 1 +ATOM 1044 C CB . VAL 138 285 ? A -19.387 -12.269 15.986 0.50 1 A VAL 89.63 1 +ATOM 1045 C CG1 . VAL 138 285 ? A -19.712 -10.874 15.426 0.50 1 A VAL 89.63 1 +ATOM 1046 C CG2 . VAL 138 285 ? A -20.567 -12.937 16.710 0.50 1 A VAL 89.63 1 +ATOM 1047 C C . VAL 138 285 ? A -20.046 -13.154 13.834 1.00 1 A VAL 89.63 1 +ATOM 1048 O O . VAL 138 285 ? A -20.214 -12.200 13.075 1.00 1 A VAL 89.63 1 +ATOM 1049 N N . THR 139 286 ? A -20.814 -14.259 13.789 1.00 1 A THR 26.92 1 +ATOM 1050 C CA . THR 139 286 ? A -21.895 -14.372 12.857 1.00 1 A THR 26.92 1 +ATOM 1051 C CB . THR 139 286 ? A -22.196 -15.788 12.464 1.00 1 A THR 26.92 1 +ATOM 1052 O OG1 . THR 139 286 ? A -22.598 -16.536 13.602 1.00 1 A THR 26.92 1 +ATOM 1053 C CG2 . THR 139 286 ? A -20.931 -16.405 11.843 1.00 1 A THR 26.92 1 +ATOM 1054 C C . THR 139 286 ? A -23.118 -13.818 13.509 1.00 1 A THR 26.92 1 +ATOM 1055 O O . THR 139 286 ? A -23.111 -13.475 14.690 1.00 1 A THR 26.92 1 +ATOM 1056 N N . ARG 140 287 ? A -24.210 -13.701 12.731 1.00 1 A ARG 63.30 1 +ATOM 1057 C CA . ARG 140 287 ? A -25.432 -13.180 13.263 1.00 1 A ARG 63.30 1 +ATOM 1058 C CB . ARG 140 287 ? A -26.534 -12.983 12.209 1.00 1 A ARG 63.30 1 +ATOM 1059 C CG . ARG 140 287 ? A -26.183 -11.920 11.166 1.00 1 A ARG 63.30 1 +ATOM 1060 C CD . ARG 140 287 ? A -27.396 -11.398 10.393 1.00 1 A ARG 63.30 1 +ATOM 1061 N NE . ARG 140 287 ? A -27.875 -10.178 11.103 1.00 1 A ARG 63.30 1 +ATOM 1062 C CZ . ARG 140 287 ? A -28.707 -10.292 12.180 1.00 1 A ARG 63.30 1 +ATOM 1063 N NH1 . ARG 140 287 ? A -29.111 -11.524 12.605 1.00 1 A ARG 63.30 1 +ATOM 1064 N NH2 . ARG 140 287 ? A -29.129 -9.172 12.836 1.00 1 A ARG 63.30 1 +ATOM 1065 C C . ARG 140 287 ? A -25.937 -14.133 14.301 1.00 1 A ARG 63.30 1 +ATOM 1066 O O . ARG 140 287 ? A -26.524 -13.716 15.299 1.00 1 A ARG 63.30 1 +ATOM 1067 N N . SER 141 288 ? A -25.721 -15.444 14.078 1.00 1 A SER 38.60 1 +ATOM 1068 C CA . SER 141 288 ? A -26.182 -16.477 14.963 1.00 1 A SER 38.60 1 +ATOM 1069 C CB . SER 141 288 ? A -26.002 -17.894 14.387 1.00 1 A SER 38.60 1 +ATOM 1070 O OG . SER 141 288 ? A -24.625 -18.186 14.200 1.00 1 A SER 38.60 1 +ATOM 1071 C C . SER 141 288 ? A -25.444 -16.402 16.266 1.00 1 A SER 38.60 1 +ATOM 1072 O O . SER 141 288 ? A -25.878 -16.984 17.259 1.00 1 A SER 38.60 1 +ATOM 1073 N N . GLY 142 289 ? A -24.310 -15.677 16.318 1.00 1 A GLY 25.60 1 +ATOM 1074 C CA . GLY 142 289 ? A -23.610 -15.596 17.568 1.00 1 A GLY 25.60 1 +ATOM 1075 C C . GLY 142 289 ? A -22.580 -16.678 17.627 1.00 1 A GLY 25.60 1 +ATOM 1076 O O . GLY 142 289 ? A -22.164 -17.091 18.708 1.00 1 A GLY 25.60 1 +ATOM 1077 N N . ALA 143 290 ? A -22.149 -17.175 16.453 1.00 1 A ALA 32.18 1 +ATOM 1078 C CA . ALA 143 290 ? A -21.135 -18.187 16.413 1.00 1 A ALA 32.18 1 +ATOM 1079 C CB . ALA 143 290 ? A -21.429 -19.316 15.411 1.00 1 A ALA 32.18 1 +ATOM 1080 C C . ALA 143 290 ? A -19.872 -17.522 15.973 1.00 1 A ALA 32.18 1 +ATOM 1081 O O . ALA 143 290 ? A -19.903 -16.488 15.307 1.00 1 A ALA 32.18 1 +ATOM 1082 N N . TYR 144 291 ? A -18.716 -18.082 16.383 1.00 1 A TYR 46.14 1 +ATOM 1083 C CA . TYR 144 291 ? A -17.449 -17.526 16.002 0.50 1 A TYR 46.14 1 +ATOM 1084 C CB . TYR 144 291 ? A -16.409 -17.531 17.139 0.50 1 A TYR 46.14 1 +ATOM 1085 C CG . TYR 144 291 ? A -16.986 -16.768 18.282 0.50 1 A TYR 46.14 1 +ATOM 1086 C CD1 . TYR 144 291 ? A -17.791 -17.407 19.196 0.50 1 A TYR 46.14 1 +ATOM 1087 C CD2 . TYR 144 291 ? A -16.735 -15.424 18.444 0.50 1 A TYR 46.14 1 +ATOM 1088 C CE1 . TYR 144 291 ? A -18.336 -16.723 20.256 0.50 1 A TYR 46.14 1 +ATOM 1089 C CE2 . TYR 144 291 ? A -17.279 -14.735 19.502 0.50 1 A TYR 46.14 1 +ATOM 1090 C CZ . TYR 144 291 ? A -18.080 -15.382 20.410 0.50 1 A TYR 46.14 1 +ATOM 1091 O OH . TYR 144 291 ? A -18.639 -14.676 21.496 0.50 1 A TYR 46.14 1 +ATOM 1092 C C . TYR 144 291 ? A -16.912 -18.412 14.920 1.00 1 A TYR 46.14 1 +ATOM 1093 O O . TYR 144 291 ? A -16.934 -19.634 15.052 1.00 1 A TYR 46.14 1 +ATOM 1094 N N . VAL 145 292 ? A -16.435 -17.815 13.807 1.00 1 A VAL 40.63 1 +ATOM 1095 C CA . VAL 145 292 ? A -15.913 -18.592 12.714 1.00 1 A VAL 40.63 1 +ATOM 1096 C CB . VAL 145 292 ? A -16.854 -18.670 11.549 1.00 1 A VAL 40.63 1 +ATOM 1097 C CG1 . VAL 145 292 ? A -18.121 -19.420 11.992 1.00 1 A VAL 40.63 1 +ATOM 1098 C CG2 . VAL 145 292 ? A -17.125 -17.240 11.046 1.00 1 A VAL 40.63 1 +ATOM 1099 C C . VAL 145 292 ? A -14.661 -17.930 12.219 1.00 1 A VAL 40.63 1 +ATOM 1100 O O . VAL 145 292 ? A -14.352 -16.803 12.602 1.00 1 A VAL 40.63 1 +ATOM 1101 N N . SER 146 293 ? A -13.882 -18.633 11.363 1.00 1 A SER 103.94 1 +ATOM 1102 C CA . SER 146 293 ? A -12.681 -18.033 10.845 1.00 1 A SER 103.94 1 +ATOM 1103 C CB . SER 146 293 ? A -11.469 -18.980 10.838 1.00 1 A SER 103.94 1 +ATOM 1104 O OG . SER 146 293 ? A -11.713 -20.087 9.986 1.00 1 A SER 103.94 1 +ATOM 1105 C C . SER 146 293 ? A -12.959 -17.616 9.429 1.00 1 A SER 103.94 1 +ATOM 1106 O O . SER 146 293 ? A -13.131 -18.457 8.549 1.00 1 A SER 103.94 1 +ATOM 1107 N N . ALA 147 294 ? A -12.981 -16.289 9.177 1.00 1 A ALA 76.81 1 +ATOM 1108 C CA . ALA 147 294 ? A -13.374 -15.772 7.890 1.00 1 A ALA 76.81 1 +ATOM 1109 C CB . ALA 147 294 ? A -13.833 -14.306 7.946 1.00 1 A ALA 76.81 1 +ATOM 1110 C C . ALA 147 294 ? A -12.284 -15.857 6.861 1.00 1 A ALA 76.81 1 +ATOM 1111 O O . ALA 147 294 ? A -11.158 -15.417 7.079 1.00 1 A ALA 76.81 1 +ATOM 1112 N N . ILE 148 295 ? A -12.585 -16.556 5.748 1.00 1 A ILE 198.18 1 +ATOM 1113 C CA . ILE 148 295 ? A -11.794 -16.662 4.551 1.00 1 A ILE 198.18 1 +ATOM 1114 C CB . ILE 148 295 ? A -11.969 -18.024 3.924 1.00 1 A ILE 198.18 1 +ATOM 1115 C CG2 . ILE 148 295 ? A -13.463 -18.284 3.716 1.00 1 A ILE 198.18 1 +ATOM 1116 C CG1 . ILE 148 295 ? A -11.118 -18.204 2.662 1.00 1 A ILE 198.18 1 +ATOM 1117 C CD1 . ILE 148 295 ? A -11.163 -19.646 2.148 1.00 1 A ILE 198.18 1 +ATOM 1118 C C . ILE 148 295 ? A -12.070 -15.591 3.527 1.00 1 A ILE 198.18 1 +ATOM 1119 O O . ILE 148 295 ? A -11.161 -15.099 2.859 1.00 1 A ILE 198.18 1 +ATOM 1120 N N . ALA 149 296 ? A -13.362 -15.254 3.326 1.00 1 A ALA 38.08 1 +ATOM 1121 C CA . ALA 149 296 ? A -13.739 -14.325 2.295 1.00 1 A ALA 38.08 1 +ATOM 1122 C CB . ALA 149 296 ? A -14.444 -14.993 1.102 1.00 1 A ALA 38.08 1 +ATOM 1123 C C . ALA 149 296 ? A -14.735 -13.356 2.915 1.00 1 A ALA 38.08 1 +ATOM 1124 O O . ALA 149 296 ? A -15.854 -13.811 3.276 1.00 1 A ALA 38.08 1 +ATOM 1125 O OXT . ALA 149 296 ? A -14.395 -12.148 3.030 1.00 1 A ALA 38.08 1 +# +# +loop_ +_atom_type.symbol +C +N +O +S +# +# +loop_ +_ma_qa_metric.id +_ma_qa_metric.name +_ma_qa_metric.description +_ma_qa_metric.type +_ma_qa_metric.mode +_ma_qa_metric.type_other_details +_ma_qa_metric.software_group_id +1 GA341 'GA341 fold reliability score' 'normalized score' global . 2 +2 MPQS 'ModPipe Quality Score' other global +'composite score, values >1.1 are considered reliable' 1 +3 zDOPE 'Normalized DOPE' zscore global . 2 +4 'TSVMod RMSD' 'TSVMod predicted RMSD (MTALL)' distance global . . +5 'TSVMod NO35' 'TSVMod predicted native overlap (MTALL)' 'normalized score' +global . . +# +# +loop_ +_ma_qa_metric_global.ordinal_id +_ma_qa_metric_global.model_id +_ma_qa_metric_global.metric_id +_ma_qa_metric_global.metric_value +1 1 1 1 +2 1 2 1.3764 +3 1 3 -0.94 +4 1 4 2.102 +5 1 5 0.917 +# diff --git a/modules/core/dependency/python-ihm/test/input/modeller_modelcif.cif b/modules/core/dependency/python-ihm/test/input/modeller_modelcif.cif new file mode 100644 index 0000000000..669f9a0d12 --- /dev/null +++ b/modules/core/dependency/python-ihm/test/input/modeller_modelcif.cif @@ -0,0 +1,79 @@ +data_model +# +_entry.id model +_exptl.entry_id model +_exptl.method "THEORETICAL MODEL" +# +_modeller.version should-be-ignored +_modeller.produced_by 'MODELLER Version 10.5 2024/01/23 11:31:44' +_modeller.objective_function 266.4716 +_modeller.best_template_pct_seq_id 37.037 +_modeller.sequence 1fdx +_modeller.alignment modeller_model.ali +_modeller.script modeller_model.py +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Comparative protein modelling by satisfaction of spatial restraints.' +'J Mol Biol' 234 779 815 1993 8254673 10.1006/jmbi.1993.1626 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Sali, A.' 1 +primary 'Blundell, T.L.' 2 +# +loop_ +_software.pdbx_ordinal +_software.name +_software.classification +_software.description +_software.version +_software.type +_software.location +_software.citation_id +1 MODELLER 'comparative modeling' +'Comparative modeling by satisfaction of spatial restraints, build 2023/10/23 11:26:12' 10.4 program +https://salilab.org/modeller/ primary +# +loop_ +_modeller_template.id +_modeller_template.name +_modeller_template.template_begin +_modeller_template.template_end +_modeller_template.target_begin +_modeller_template.target_end +_modeller_template.pct_seq_id +1 3jroC 33:C 424:C 33:A 424:A 100.0 +2 3f3fG 482:G 551:G 429:A 488:A 10.0 +3 1abcA 1:A 10:A 1:B 20:B 10.0 +# +loop_ +_atom_site.group_PDB +_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.auth_asym_id +_atom_site.label_seq_id +_atom_site.auth_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.label_entity_id +_atom_site.id +_atom_site.pdbx_PDB_model_num +ATOM C CA . ALA A A 1 1 ? 25.847 14.655 5.416 1.000 21.304 1 2 1 diff --git a/modules/core/dependency/python-ihm/test/test_dataset.py b/modules/core/dependency/python-ihm/test/test_dataset.py index 9b461c0891..76ab3a3c7f 100644 --- a/modules/core/dependency/python-ihm/test/test_dataset.py +++ b/modules/core/dependency/python-ihm/test/test_dataset.py @@ -101,7 +101,7 @@ def test_cxms_dataset(self): """Test CXMSDataset""" loc = ihm.location.FileLocation(repo='mydoi', path='a') d = ihm.dataset.CXMSDataset(loc) - self.assertEqual(d.data_type, 'CX-MS data') + self.assertEqual(d.data_type, 'Crosslinking-MS data') def test_hdx_dataset(self): """Test HDXDataset""" diff --git a/modules/core/dependency/python-ihm/test/test_dumper.py b/modules/core/dependency/python-ihm/test/test_dumper.py index 081a2ba064..b831adc831 100644 --- a/modules/core/dependency/python-ihm/test/test_dumper.py +++ b/modules/core/dependency/python-ihm/test/test_dumper.py @@ -597,7 +597,15 @@ def test_struct_ref(self): db_code='testcode3', accession='testacc3', sequence=ihm.unknown) r4.alignments.append(ihm.reference.Alignment( db_begin=4, db_end=5, entity_begin=2, entity_end=3)) - system.entities.append(ihm.Entity('LSPT', references=[r1, r2, r3, r4])) + # Duplicate reference; should be omitted even though details differ + r5 = ihm.reference.UniProtSequence( + db_code='NUP84_YEAST', accession='P52891', sequence='MELWPTYQT', + details='other test sequence') + r5.alignments.append(ihm.reference.Alignment(db_begin=3, + seq_dif=[sd, sd2])) + + system.entities.append(ihm.Entity('LSPT', references=[r1, r2, r3, r4, + r5])) dumper = ihm.dumper._EntityDumper() dumper.finalize(system) # Assign entity IDs @@ -1435,8 +1443,8 @@ def test_dataset_dumper_dump(self): _ihm_dataset_list.data_type _ihm_dataset_list.database_hosted _ihm_dataset_list.details -1 'CX-MS data' NO . -2 'CX-MS data' NO . +1 'Crosslinking-MS data' NO . +2 'Crosslinking-MS data' NO . 3 Other YES bar 4 Other YES baz 5 'Experimental model' YES 'test dataset details' @@ -1621,8 +1629,14 @@ def get_seq_dif(self): sequence_identity=ihm.startmodel.SequenceIdentity(ihm.unknown, ihm.unknown), alignment_file=ali) + s4 = ihm.startmodel.Template( + dataset=dstemplate, asym_id='D', + seq_id_range=(None, None), + template_seq_id_range=(None, None), + sequence_identity=ihm.startmodel.SequenceIdentity(None, None), + alignment_file=ali) - sm = TestStartingModel(asym(1, 12), dstarget, 'A', [s1, s2, s3], + sm = TestStartingModel(asym(1, 12), dstarget, 'A', [s1, s2, s3, s4], offset=10, script_file=script, software=software) system.orphan_starting_models.append(sm) @@ -1697,6 +1711,7 @@ def get_seq_dif(self): 1 1 A 1 10 C 101 110 30.000 1 101 . 2 1 A 5 12 D 201 210 40.000 . 101 5 3 1 A 5 12 D 201 210 ? ? 101 5 +4 1 A . . D . . . . 101 5 # # loop_ @@ -2062,6 +2077,16 @@ def test_range_checker_duplicate_atoms(self): atom = ihm.model.Atom(asym_unit=asym, seq_id=1, atom_id='CA', type_symbol='C', x=1.0, y=2.0, z=3.0) self.assertRaises(ValueError, rngcheck, atom) + # It's fine though if alt_id is different + atom = ihm.model.Atom(asym_unit=asym, seq_id=1, atom_id='CA', + type_symbol='C', x=1.0, y=2.0, z=3.0, alt_id='A') + rngcheck(atom) + atom = ihm.model.Atom(asym_unit=asym, seq_id=1, atom_id='CA', + type_symbol='C', x=1.0, y=2.0, z=3.0, alt_id='B') + rngcheck(atom) + atom = ihm.model.Atom(asym_unit=asym, seq_id=1, atom_id='CA', + type_symbol='C', x=1.0, y=2.0, z=3.0, alt_id='A') + self.assertRaises(ValueError, rngcheck, atom) def test_range_checker_duplicate_atoms_water(self): """Test RangeChecker class checking duplicate water atoms""" @@ -2750,15 +2775,15 @@ def test_ordered(self): out = _get_dumper_output(dumper, system) self.assertEqual(out, """# loop_ -_ihm_ordered_ensemble.process_id -_ihm_ordered_ensemble.process_description -_ihm_ordered_ensemble.ordered_by -_ihm_ordered_ensemble.step_id -_ihm_ordered_ensemble.step_description -_ihm_ordered_ensemble.edge_id -_ihm_ordered_ensemble.edge_description -_ihm_ordered_ensemble.model_group_id_begin -_ihm_ordered_ensemble.model_group_id_end +_ihm_ordered_model.process_id +_ihm_ordered_model.process_description +_ihm_ordered_model.ordered_by +_ihm_ordered_model.step_id +_ihm_ordered_model.step_description +_ihm_ordered_model.edge_id +_ihm_ordered_model.edge_description +_ihm_ordered_model.model_group_id_begin +_ihm_ordered_model.model_group_id_end 1 . 'time steps' 1 'Linear reaction' 1 . 42 82 2 'Proc 2' 'time steps' 1 'Branched reaction' 1 . 42 82 2 'Proc 2' 'time steps' 1 'Branched reaction' 2 . 42 92 @@ -3224,6 +3249,12 @@ def test_feature_dumper(self): f = ihm.restraint.ResidueFeature([a1, a2(2, 3), e1, e1(2, 3)], details='test feature') system.orphan_features.append(f) + + # Duplicate feature, should be pruned from output + f = ihm.restraint.ResidueFeature([a1, a2(2, 3), e1, e1(2, 3)], + details='other details') + system.orphan_features.append(f) + # Cannot make a ResidueFeature that includes a non-polymer 'residue' self.assertRaises(ValueError, ihm.restraint.ResidueFeature, [a1, a3]) @@ -3252,6 +3283,11 @@ def test_feature_dumper(self): f = ihm.restraint.PseudoSiteFeature(site=ps) system.orphan_features.append(f) + # Duplicate Pseudo site feature + ps = ihm.restraint.PseudoSite(x=10., y=20., z=30.) + f = ihm.restraint.PseudoSiteFeature(site=ps) + system.orphan_features.append(f) + ihm.dumper._EntityDumper().finalize(system) # assign entity IDs ihm.dumper._StructAsymDumper().finalize(system) # assign asym IDs @@ -3323,13 +3359,28 @@ def test_feature_dumper(self): # """) + def test_feature_dumper_no_residues(self): + """Test FeatureDumper with an empty ResidueFeature""" + system = ihm.System() + + f = ihm.restraint.ResidueFeature([]) + system.orphan_features.append(f) + + dumper = ihm.dumper._FeatureDumper() + dumper.finalize(system) # assign IDs + self.assertEqual(len(dumper._features_by_id), 1) + self.assertRaises(ValueError, _get_dumper_output, dumper, system) + def test_pseudo_site_dumper(self): """Test PseudoSiteDumper""" system = ihm.System() ps1 = ihm.restraint.PseudoSite(x=10., y=20., z=30.) ps2 = ihm.restraint.PseudoSite(x=10., y=20., z=30., radius=40., description="test pseudo") - system.orphan_pseudo_sites.extend((ps1, ps2)) + # Duplicate pseudo site, should be pruned + ps3 = ihm.restraint.PseudoSite(x=10., y=20., z=30., + radius=40., description="other pseudo") + system.orphan_pseudo_sites.extend((ps1, ps2, ps3)) dumper = ihm.dumper._PseudoSiteDumper() dumper.finalize(system) # assign IDs @@ -3842,7 +3893,6 @@ class MockObject(object): dumper = ihm.dumper._RelaxationTimeDumper() dumper.finalize(system) out = _get_dumper_output(dumper, system) - self.maxDiff = None self.assertEqual(out, """# loop_ _ihm_relaxation_time.id diff --git a/modules/core/dependency/python-ihm/test/test_location.py b/modules/core/dependency/python-ihm/test/test_location.py index 989a99c437..abce0e2c76 100644 --- a/modules/core/dependency/python-ihm/test/test_location.py +++ b/modules/core/dependency/python-ihm/test/test_location.py @@ -114,6 +114,15 @@ def test_alpha_fold_db_location(self): self.assertEqual(d.version, 1) self.assertEqual(d.details, 'foo') + def test_proteome_xchange_location(self): + """Test ProteomeXchangeLocation class""" + d = ihm.location.ProteomeXchangeLocation( + 'abc', version=1, details='foo') + self.assertEqual(d.db_name, 'ProteomeXchange') + self.assertEqual(d.access_code, 'abc') + self.assertEqual(d.version, 1) + self.assertEqual(d.details, 'foo') + def test_empiar_location(self): """Test EMPIARLocation class""" d = ihm.location.EMPIARLocation('abc', version=1, details='foo') diff --git a/modules/core/dependency/python-ihm/test/test_main.py b/modules/core/dependency/python-ihm/test/test_main.py index 14bdb2bcba..6b549e1c72 100644 --- a/modules/core/dependency/python-ihm/test/test_main.py +++ b/modules/core/dependency/python-ihm/test/test_main.py @@ -352,7 +352,7 @@ def test_citation(self): pmid='1234') self.assertEqual(s.title, 'Test paper') - def _get_from_pubmed_id(self, json_fname): + def _get_from_pubmed_id(self, json_fname, is_primary=False): def mock_urlopen(url): self.assertTrue(url.endswith('&id=29539637')) fname = utils.get_input_file_name(TOPDIR, json_fname) @@ -362,7 +362,7 @@ def mock_urlopen(url): try: orig_urlopen = urllib2.urlopen urllib2.urlopen = mock_urlopen - return ihm.Citation.from_pubmed_id(29539637) + return ihm.Citation.from_pubmed_id(29539637, is_primary=is_primary) finally: urllib2.urlopen = orig_urlopen @@ -381,6 +381,9 @@ def test_citation_from_pubmed_id(self): self.assertEqual(c.doi, '10.1038/nature26003') self.assertEqual(len(c.authors), 32) self.assertEqual(c.authors[0], 'Kim, S.J.') + self.assertFalse(c.is_primary) + c = self._get_from_pubmed_id('pubmed_api.json', is_primary=True) + self.assertTrue(c.is_primary) def test_citation_from_pubmed_id_one_page(self): """Test Citation.from_pubmed_id() with page rather than range""" diff --git a/modules/core/dependency/python-ihm/test/test_metadata.py b/modules/core/dependency/python-ihm/test/test_metadata.py index 8c35ea42a4..8c221bc7bd 100644 --- a/modules/core/dependency/python-ihm/test/test_metadata.py +++ b/modules/core/dependency/python-ihm/test/test_metadata.py @@ -306,6 +306,7 @@ def check_modeller_model(self, pdbname, cif=False): self.assertEqual(p2.location.access_code, '3F3F') self.assertEqual(p3.location.access_code, '1ABC') s, = p['software'] + self.assertEqual(len(s.citation.authors), 2) self.assertEqual(s.name, 'MODELLER') if cif: self.assertEqual(s.version, '10.4') @@ -478,8 +479,8 @@ def test_cif_unknown(self): self.assertEqual(dataset.location.path, fname) self.assertEqual(dataset.location.details, 'Starting model structure') - def test_cif_modeller_model(self): - """Test CIFParser when given a Modeller model""" + def test_cif_modeller_model_old(self): + """Test CIFParser when given a Modeller model, old style""" fname = utils.get_input_file_name(TOPDIR, 'modeller_model.cif') p = self.check_modeller_model(fname, cif=True) aliname = utils.get_input_file_name(TOPDIR, 'modeller_model.ali') @@ -495,6 +496,76 @@ def test_cif_modeller_incomplete_model(self): p = self._parse_cif(fname) self.assertIsNone(p['script']) + def test_cif_modeller_modelcif(self): + """Test CIFParser when given a Modeller ModelCIF-compliant model""" + # For new-style Modeller models, should read software info directly + # from the _software table, not _exptl + fname = utils.get_input_file_name(TOPDIR, 'modeller_modelcif.cif') + p = self.check_modeller_model(fname, cif=True) + aliname = utils.get_input_file_name(TOPDIR, 'modeller_model.ali') + script = utils.get_input_file_name(TOPDIR, 'modeller_model.py') + self.assertEqual(p['script'].path, script) + for templates in p['templates'].values(): + for t in templates: + self.assertEqual(t.alignment_file.path, aliname) + + def test_cif_modbase_modelcif(self): + """Test CIFParser when given a ModBase ModelCIF-compliant model""" + fname = utils.get_input_file_name( + TOPDIR, 'modbase-model_e224ef5d7f96947a99dd618618021328.cif') + p = self._parse_cif(fname) + dataset = p['dataset'] + # ModBase isn't in IHMCIF's official set of databases, so should + # be reported as "Other" + self.assertEqual(dataset.location.db_name, 'Other') + self.assertEqual(dataset.location.access_code, + 'e224ef5d7f96947a99dd618618021328') + self.assertEqual(dataset.location.details, + "ModBase database of comparative protein " + "structure models") + self.assertEqual(sorted(p['templates'].keys()), ['A']) + s1, = p['templates']['A'] + self.assertEqual(s1.asym_id, 'B') + self.assertEqual(s1.seq_id_range, (1, 149)) + self.assertEqual(s1.template_seq_id_range, (18, 166)) + self.assertAlmostEqual(s1.sequence_identity.value, 99.0, delta=0.1) + self.assertEqual( + s1.sequence_identity.denominator, + ihm.startmodel.SequenceIdentityDenominator.SHORTER_LENGTH) + self.assertEqual(dataset.data_type, 'Comparative model') + p1, = dataset.parents + self.assertEqual(p1.data_type, 'Experimental model') + self.assertEqual(p1.location.db_name, 'PDB') + self.assertEqual(p1.location.access_code, '2fom') + self.assertEqual([s.name for s in p['software']], + ['ModPipe', 'MODELLER', 'modbase_pdb_to_cif.py']) + + def test_cif_alphafold_modelcif(self): + """Test CIFParser when given an AlphaFoldDB ModelCIF-compliant model""" + fname = utils.get_input_file_name(TOPDIR, 'AF-O78126-F1-model_v4.cif') + p = self._parse_cif(fname) + dataset = p['dataset'] + self.assertEqual(dataset.location.db_name, 'AlphaFoldDB') + self.assertEqual(dataset.location.access_code, 'AF-O78126-F1') + self.assertEqual(dataset.location.details, "Starting model structure") + self.assertEqual(dataset.data_type, 'De Novo model') + self.assertEqual(len(dataset.parents), 4) + p1, p2, p3, p4 = dataset.parents + self.assertEqual(p1.data_type, 'Experimental model') + self.assertEqual(p1.location.db_name, 'PDB') + self.assertEqual(p1.location.access_code, '6ENY') + self.assertEqual(p2.location.access_code, '6FGB') + self.assertEqual(p3.location.access_code, '1MHC') + self.assertEqual(p4.location.access_code, '1K5N') + self.assertEqual([s.name for s in p['software']], + ['AlphaFold', 'dssp']) + self.assertEqual(sorted(p['templates'].keys()), ['A']) + s1, s2, s3, s4 = p['templates']['A'] + self.assertEqual(s1.asym_id, 'F') + self.assertEqual(s1.seq_id_range, (None, None)) + self.assertEqual(s1.template_seq_id_range, (None, None)) + self.assertIsNone(s1.sequence_identity) + if __name__ == '__main__': unittest.main() diff --git a/modules/core/dependency/python-ihm/test/test_reader.py b/modules/core/dependency/python-ihm/test/test_reader.py index 9e0616d9b5..213c9b7288 100644 --- a/modules/core/dependency/python-ihm/test/test_reader.py +++ b/modules/core/dependency/python-ihm/test/test_reader.py @@ -978,10 +978,12 @@ def test_dataset_list_handler(self): 2 'COMPARATIVE MODEL' YES . 3 'EM raw micrographs' YES 'test details' 4 . YES . +5 'Crosslinking-MS data' YES . +6 'CX-MS data' YES . """ for fh in cif_file_handles(cif): s, = ihm.reader.read(fh) - d1, d2, d3, d4 = s.orphan_datasets + d1, d2, d3, d4, d5, d6 = s.orphan_datasets self.assertEqual(d1.__class__, ihm.dataset.PDBDataset) self.assertEqual(d2.__class__, ihm.dataset.ComparativeModelDataset) self.assertEqual(d3.__class__, ihm.dataset.EMMicrographsDataset) @@ -992,6 +994,10 @@ def test_dataset_list_handler(self): self.assertEqual(d4.__class__, ihm.dataset.Dataset) self.assertIsNone(d1.details) self.assertEqual(d3.details, 'test details') + # Both new and old data_types should map to the same + # crosslink class + self.assertEqual(d5.__class__, ihm.dataset.CXMSDataset) + self.assertEqual(d6.__class__, ihm.dataset.CXMSDataset) def test_dataset_group_handler(self): """Test DatasetGroupHandler""" @@ -1297,11 +1303,12 @@ def test_starting_comparative_models_handler(self): 1 1 A 7 436 C 9 438 90.000 1 3 2 2 1 A 33 424 C 33 424 100.000 1 1 . 3 1 A 33 424 C . ? 100.000 1 1 . +4 1 A . . C . . . . 1 . """ for fh in cif_file_handles(cif): s, = ihm.reader.read(fh) m1, = s.orphan_starting_models - t1, t2, t3 = m1.templates + t1, t2, t3, t4 = m1.templates self.assertEqual(t1.dataset._id, '3') self.assertEqual(t1.asym_id, 'C') self.assertEqual(t1.seq_id_range, (7, 436)) @@ -1312,6 +1319,8 @@ def test_starting_comparative_models_handler(self): self.assertEqual(t1.alignment_file._id, '2') self.assertIsNone(t2.alignment_file) self.assertEqual(t3.template_seq_id_range, (None, ihm.unknown)) + self.assertEqual(t4.seq_id_range, (None, None)) + self.assertEqual(t4.template_seq_id_range, (None, None)) def test_protocol_handler(self): """Test ProtocolHandler""" @@ -3170,10 +3179,24 @@ def test_cross_link_result_handler(self): self.assertIsNone(fits[1][1].sigma1) self.assertIsNone(fits[1][1].sigma2) - def test_ordered_ensemble_handler(self): - """Test OrderedEnsembleHandler""" + def test_ordered_model_handler(self): + """Test OrderedModelHandler""" + # Test both old and new category names fh = StringIO(""" loop_ +_ihm_ordered_model.process_id +_ihm_ordered_model.process_description +_ihm_ordered_model.ordered_by +_ihm_ordered_model.step_id +_ihm_ordered_model.step_description +_ihm_ordered_model.edge_id +_ihm_ordered_model.edge_description +_ihm_ordered_model.model_group_id_begin +_ihm_ordered_model.model_group_id_end +1 pdesc 'steps in a reaction pathway' 1 'step 1 desc' 1 . 1 2 +1 pdesc 'steps in a reaction pathway' 2 'step 2 desc' 2 'edge 2 desc' 1 3 +# +loop_ _ihm_ordered_ensemble.process_id _ihm_ordered_ensemble.process_description _ihm_ordered_ensemble.ordered_by @@ -3183,8 +3206,6 @@ def test_ordered_ensemble_handler(self): _ihm_ordered_ensemble.edge_description _ihm_ordered_ensemble.model_group_id_begin _ihm_ordered_ensemble.model_group_id_end -1 pdesc 'steps in a reaction pathway' 1 'step 1 desc' 1 . 1 2 -1 pdesc 'steps in a reaction pathway' 2 'step 2 desc' 2 'edge 2 desc' 1 3 1 pdesc 'steps in a reaction pathway' 2 'step 2 desc' 3 . 1 4 """) s, = ihm.reader.read(fh) diff --git a/modules/core/dependency/python-ihm/test/test_restraint.py b/modules/core/dependency/python-ihm/test/test_restraint.py index aca296f2ca..e3adb621e7 100644 --- a/modules/core/dependency/python-ihm/test/test_restraint.py +++ b/modules/core/dependency/python-ihm/test/test_restraint.py @@ -248,6 +248,11 @@ def test_derived_distance_restraint(self): self.assertEqual(f.feature2, 'feat2') self.assertEqual(f._all_features, ('feat1', 'feat2')) + def test_pseudo_site_signature(self): + """Test signature of PseudoSite""" + p = ihm.restraint.PseudoSite(1.0, 2.0, 3.0) + self.assertEqual(p._signature(), ('1.000', '2.000', '3.000', None)) + if __name__ == '__main__': unittest.main() diff --git a/modules/core/dependency/python-ihm/util/debian/changelog b/modules/core/dependency/python-ihm/util/debian/changelog index 4802c11de9..e89fc6deea 100644 --- a/modules/core/dependency/python-ihm/util/debian/changelog +++ b/modules/core/dependency/python-ihm/util/debian/changelog @@ -1,3 +1,9 @@ +python-ihm (1.3-1~@CODENAME@) @CODENAME@; urgency=low + + * python-ihm 1.3 release + + -- Ben Webb Tue, 16 Jul 2024 10:37:13 -0700 + python-ihm (1.2-1~@CODENAME@) @CODENAME@; urgency=low * python-ihm 1.2 release diff --git a/modules/core/dependency/python-ihm/util/python-ihm.spec b/modules/core/dependency/python-ihm/util/python-ihm.spec index d85b093a5d..4c116c8eb8 100644 --- a/modules/core/dependency/python-ihm/util/python-ihm.spec +++ b/modules/core/dependency/python-ihm/util/python-ihm.spec @@ -1,7 +1,7 @@ Name: python3-ihm License: MIT Group: Applications/Engineering -Version: 1.2 +Version: 1.3 Release: 1%{?dist} Summary: Package for handling IHM mmCIF and BinaryCIF files Packager: Ben Webb @@ -36,6 +36,9 @@ sed -i -e "s/install_requires=\['msgpack'\]/#/" setup.py %defattr(-,root,root) %changelog +* Tue Jul 16 2024 Ben Webb 1.3-1 +- Update to latest upstream. + * Wed Jun 12 2024 Ben Webb 1.2-1 - Update to latest upstream.