From 0db2bbea80eadc4d757abf25244a91b76b8e1b81 Mon Sep 17 00:00:00 2001 From: Gerardo Tauriello <gerardo.tauriello@unibas.ch> Date: Fri, 1 Apr 2016 17:40:15 +0200 Subject: [PATCH] SCHWED-777: added structure and attach_view capability to pm3argparse --- core/pymod/core/pm3argparse.py | 622 ++- core/tests/CMakeLists.txt | 14 + core/tests/data/aln_tpl/1crn.fasta | 4 + core/tests/data/aln_tpl/1crn_cut.pdb | 284 + core/tests/data/aln_tpl/2aoh-1_cut.pdb | 1411 +++++ core/tests/data/aln_tpl/2aoh-1_cut_A.fasta | 4 + core/tests/data/aln_tpl/2aoh-1_cut_B.fasta | 4 + core/tests/data/aln_tpl/2jlp-1.aln | 10 + core/tests/data/aln_tpl/2jlp-1.fasta | 8 + core/tests/data/aln_tpl/2jlp-1.json | 15 + core/tests/data/aln_tpl/2jlp-1.pdb | 5868 ++++++++++++++++++++ core/tests/data/aln_tpl/5d52-1_cut.pdb | 322 ++ core/tests/data/aln_tpl/5d52-1_cut_A.fasta | 4 + core/tests/data/aln_tpl/5d52-1_cut_B.fasta | 4 + core/tests/data/fasta/1ake.fas | 12 +- core/tests/data/fasta/1ake.fas.gz | Bin 230 -> 223 bytes core/tests/data/fasta/1ake_1.fas | 4 + core/tests/data/fasta/1ake_2trg.fas | 12 + core/tests/data/fasta/1ake_3.fas | 20 +- core/tests/data/fasta/1ake_nel.fas | 12 +- core/tests/data/fasta/1ake_sw.fas | 13 +- core/tests/test_pm3argparse.py | 486 +- modelling/tests/data/2jlp-1.fasta | 2 +- modelling/tests/test_modelling.py | 12 - 24 files changed, 8741 insertions(+), 406 deletions(-) create mode 100644 core/tests/data/aln_tpl/1crn.fasta create mode 100644 core/tests/data/aln_tpl/1crn_cut.pdb create mode 100644 core/tests/data/aln_tpl/2aoh-1_cut.pdb create mode 100644 core/tests/data/aln_tpl/2aoh-1_cut_A.fasta create mode 100644 core/tests/data/aln_tpl/2aoh-1_cut_B.fasta create mode 100644 core/tests/data/aln_tpl/2jlp-1.aln create mode 100644 core/tests/data/aln_tpl/2jlp-1.fasta create mode 100644 core/tests/data/aln_tpl/2jlp-1.json create mode 100644 core/tests/data/aln_tpl/2jlp-1.pdb create mode 100644 core/tests/data/aln_tpl/5d52-1_cut.pdb create mode 100644 core/tests/data/aln_tpl/5d52-1_cut_A.fasta create mode 100644 core/tests/data/aln_tpl/5d52-1_cut_B.fasta create mode 100644 core/tests/data/fasta/1ake_1.fas create mode 100644 core/tests/data/fasta/1ake_2trg.fas diff --git a/core/pymod/core/pm3argparse.py b/core/pymod/core/pm3argparse.py index 7bf693c6..7ad9e341 100644 --- a/core/pymod/core/pm3argparse.py +++ b/core/pymod/core/pm3argparse.py @@ -21,16 +21,20 @@ def _TmpForGZip(filename, suffix, msg_prefix): """Unpack a file to a tmp file if gzipped. """ helper.FileExists(msg_prefix, 12, filename) - zip_fh = gzip.open(filename) - unzip_str = zip_fh.read() - zip_fh.close() + try: + zip_fh = gzip.open(filename) + unzip_str = zip_fh.read() + zip_fh.close() + except IOError, ioe: + helper.MsgErrorAndExit(msg_prefix + " gzip file '" + filename + + "' cannot be opened: " + str(ioe), 14) unzip_file = tempfile.NamedTemporaryFile(mode='w', suffix=suffix) unzip_file.write(unzip_str) unzip_file.flush() return unzip_file def _CheckJSONAlnSeqKeyType(key_name, val_type, json_aln, seqtype, json_source): - '''Check a key/ value in a sequence exists and is of certain type. + '''Check a key/value in a sequence exists and is of certain type. ''' if key_name not in json_aln[seqtype].keys(): helper.MsgErrorAndExit("JSON 'alignmentlist' '%s' " % seqtype+ @@ -50,21 +54,6 @@ def _CheckJSONAlnSeqKeyType(key_name, val_type, json_aln, seqtype, json_source): "'%s' is not a " % json_source+ "%s" % str(val_type), 28) -def _CreateNewAln(trg_name, trg_seq, trg_start, trg_end, tpl_name, tpl_seq, - tpl_offset): - # iternal function to makes things easier in other places, pylint ignored - #pylint: disable=too-many-arguments - '''Produce a new target-template alignment - ''' - new_aln = seq.CreateAlignment(seq.CreateSequence(\ - trg_name, - trg_seq[trg_start:trg_end]), - seq.CreateSequence(tpl_name, tpl_seq)) - new_aln.SetSequenceRole(0, 'TARGET') - new_aln.SetSequenceRole(1, 'TEMPLATE') - new_aln.SetSequenceOffset(1, tpl_offset) - return new_aln - def _GetAlnFromJSON(json_object, json_source): """Create alignments from a JSON object. @@ -104,14 +93,17 @@ def _GetAlnFromJSON(json_object, json_source): json_source) _CheckJSONAlnSeqKeyType('offset', int, json_aln, 'template', json_source) - - yield _CreateNewAln(str(json_aln['target']['name']).strip(), - str(json_aln['target']['seqres']), - 0, - len(json_aln['target']['seqres']), - str(json_aln['template']['name']).strip(), - str(json_aln['template']['seqres']), - json_aln['template']['offset']) + # create and yield alignment + trg_name = str(json_aln['target']['name']).strip() + trg_seq = str(json_aln['target']['seqres']) + tpl_name = str(json_aln['template']['name']).strip() + tpl_seq = str(json_aln['template']['seqres']) + new_aln = seq.CreateAlignment(seq.CreateSequence(trg_name, trg_seq), + seq.CreateSequence(tpl_name, tpl_seq)) + new_aln.SetSequenceRole(0, 'TARGET') + new_aln.SetSequenceRole(1, 'TEMPLATE') + new_aln.SetSequenceOffset(1, json_aln['template']['offset']) + yield new_aln def _GetJSONOBject(json_input): """Get a JSON object out of a string which may be an object or a path. @@ -127,6 +119,7 @@ def _GetJSONOBject(json_input): As returnvalue we only use JSON objects. """ if json_input[0] != '{': + helper.FileExists("JSON Alignment", 12, json_input) is_gz = helper.FileGzip("JSON alignment", 13, json_input) readfile = json_input if is_gz: @@ -160,38 +153,10 @@ def _GetJSONOBject(json_input): "could not be decoded: %s" % vae.message, 23) return json_object -def _GetTrgNameSeqFile(argstr): - """Sort out what is target name and what is the sequence file name. - - With only two items in the argument string to '--fasta' we allow arbitrary - orders. So we have to check for the 'trg:' prefix. With this, sequence files - names may not start with 'trg:'. - """ - if argstr[0].startswith('trg:'): - trgname = argstr[0][4:] - seqfile = argstr[1] - elif argstr[1].startswith('trg:'): - trgname = argstr[1][4:] - seqfile = argstr[0] - else: - helper.MsgErrorAndExit("'--fasta %s' requires " % ' '.join(argstr)+ - "one argument prefixed with 'trg:' marking "+ - "the target sequence name", 11) - # check that 'trg:' has a string attached - if not len(trgname): - helper.MsgErrorAndExit("'--fasta %s' requires " % ' '.join(argstr)+ - "argument 'trg:' defining the "+ - "target sequence name, empty one "+ - "found: '%s'" % ' '.join(argstr), 14) +def _FetchAlnFromFile(seqfile, allow_multitemplate, format): + """Read alignment from seqfile and return it.""" + argstr = "'--" + format + " " + seqfile + "'" helper.FileExists("Alignment", 12, seqfile) - - return trgname, seqfile - -def _FetchAlnFromFastaOpt(argstr): - """ - Dissasemble an argument to '--fasta' into an alignment and return. - """ - trgname, seqfile = _GetTrgNameSeqFile(argstr) # checking if alignment file has 'gz' extension is_gz = helper.FileGzip("Alignment", 13, seqfile) # loading the alignment, switch for gzip @@ -200,90 +165,152 @@ def _FetchAlnFromFastaOpt(argstr): unzip_file = _TmpForGZip(seqfile, '.fas', "Alignment") readfile = unzip_file.name try: - aln = io.LoadAlignment(readfile, format="fasta") + aln = io.LoadAlignment(readfile, format=format) except Exception, exc: #pylint: disable=broad-except - if exc.message == 'Bad FASTA file: File is empty': - helper.MsgErrorAndExit("'--fasta %s' " % ' '.join(argstr)+ - "refers to an empty file or its in the "+ - "wrong format.", 15) - elif exc.message == 'sequences have different lengths': - helper.MsgErrorAndExit("'--fasta %s': " % ' '.join(argstr)+ - "sequences in the alignment "+ - "have different length.", 18) + if exc.message in ['Bad FASTA file: File is empty', + 'Bad CLUSTAL file: File is empty']: + helper.MsgErrorAndExit(argstr + " refers to an empty file or " + + "its in the wrong format.", 15) else: - raise + helper.MsgErrorAndExit(argstr + ": error when reading alignment "+ + "file: " + str(exc), 18) finally: if is_gz: unzip_file.close() - # checking the alignment: only 2 sequences allowed, target name must be - # the name of one of the sequences - nos = aln.GetCount() - if nos > 2: - helper.MsgErrorAndExit("'--fasta %s' points to " % ' '.join(argstr)+ - "an alignment with more than 2 sequences.", - 16) - fst_seq = aln.GetSequence(0) - snd_seq = aln.GetSequence(1) - if fst_seq.name.strip() == trgname: - new_aln = _AssembleTrgTplAln(fst_seq, snd_seq) - elif snd_seq.name.strip() == trgname: - new_aln = _AssembleTrgTplAln(snd_seq, fst_seq) - else: - helper.MsgErrorAndExit("'--fasta %s' does not " % ' '.join(argstr)+ - "define a target name found in the "+ - "alignment.", 17) - return seqfile, new_aln + # checking the alignment + if aln.GetCount() == 1: + helper.MsgErrorAndExit(argstr + " points to an alignment with only " + + "1 sequence.", 16) + if aln.GetCount() > 2 and not allow_multitemplate: + helper.MsgErrorAndExit(argstr + " points to an alignment with more " + + "than 2 sequences and we do not allow this.", 16) + # identify target + target_idx = -1 + sequences = [(s.name.strip(),s.string) for s in aln.sequences] + for i,s in enumerate(sequences): + if s[0].lower() in ['trg', 'target']: + if target_idx >= 0: + helper.MsgErrorAndExit(argstr + ": multiple targets found!", 17) + target_idx = i + # reshuffle + if target_idx > 0: + sequences.insert(0, sequences[target_idx]) + del sequences[target_idx+1] + # generate alignment + new_aln = seq.CreateAlignment() + for s in sequences: + new_aln.AddSequence(seq.CreateSequence(s[0], s[1])) + new_aln.SetSequenceRole(0, 'TARGET') + for i in range(1, new_aln.GetCount()): + new_aln.SetSequenceRole(i, 'TEMPLATE') -def _AssembleTrgTplAln(target, template): - """ - Internal function: Assemble a target-template alignment without leading/ - final gaps in the target sequence. Set the offset for the template sequence. - """ - # count leading gaps to get the start position - start = 0 - for i in range(0, target.length): - if target[i] != '-': - start = i - break - # get rid of closing gaps at the end - end = target.length - for i in range(target.length, 1, -1): - if target[i-1] != '-': - end = i - break - # assemble template sequence - tpl_str = '' - for i in range(start, end): - tpl_str += template[i] - return _CreateNewAln(target.name.strip(), str(target), start, end, - template.name.strip(), tpl_str, start) - - -class PM3StoreOnceAction(argparse.Action): - """Action for argument parsing to prevent multiple calls to an option. - """ - #pylint: disable=too-few-public-methods - def __init__(self, *args, **kwargs): - super(PM3StoreOnceAction, self).__init__(*args, **kwargs) - def __call__(self, parser, namespace, values, option_string=None): - if getattr(namespace, self.dest, None) is not None: - raise argparse.ArgumentError(self, 'may only be used once.') - setattr(namespace, self.dest, values) + return new_aln + +def _LoadPDB(filename): + """Load PDB file from filename and return it.""" + argstr = "'--pdb " + filename + "'" + helper.FileExists("PDB Structure", 32, filename) + try: + ent = io.LoadPDB(filename) + except Exception, exc: #pylint: disable=broad-except + helper.MsgErrorAndExit(argstr + ": failure to parse PDB file: " + + str(exc), 33) + return ent + +def _LoadEntity(filename): + """Load generic structure file from filename and return it.""" + argstr = "'--entity " + filename + "'" + helper.FileExists("Structure", 32, filename) + try: + ent = io.LoadEntity(filename) + except Exception, exc: #pylint: disable=broad-except + if exc.message.startswith('no suitable entity io handler found'): + helper.MsgErrorAndExit(argstr + ": not a supported format " + + str(exc), 34) + else: + helper.MsgErrorAndExit(argstr + ": failure to parse PDB file: " + + str(exc), 33) + return ent + +def _GetChains(structures, structure_sources): + """Get chain id to entity view (single chain) mapping (dict).""" + # IDs: (file_base = base file name with no extensions) + # - file_base.chain_name + # - file_base (iff only one chain in file) + # - chain_name (iff only one file) + # - note: single entry with key 'UNIQUE' created if only one chain in total! + chain_entities = dict() + single_file = len(structure_sources) == 1 + # parse structures + for file_name, ent in zip(structure_sources, structures): + # get pure file name with no extension + file_base = os.path.basename(file_name) + file_split = os.path.splitext(file_base) + if file_split[1] == '.gz': + file_base = os.path.splitext(file_split[0])[0] + else: + file_base = file_split[0] + # get chainnames + prot = ent.Select("peptide=True") + single_chain = prot.chain_count == 1 + chain_names = [ch.name for ch in prot.chains] + # fill dict + if single_file and single_chain: + chain_entities['UNIQUE'] = prot + elif single_chain: + chain_entities[file_base + '.' + chain_names[0]] = prot + chain_entities[file_base] = prot + else: + for chain_name in chain_names: + ch_ent = prot.Select("cname=" + chain_name) + chain_entities[file_base + '.' + chain_name] = ch_ent + if single_file: + chain_entities[chain_name] = ch_ent + return chain_entities + +def _AttachViewsToAln(aln, chain_entities): + """Attach views to tpl. sequences in aln according to sequence names.""" + for i in range(1, aln.GetCount()): + seq_name = aln.GetSequence(i).GetName() + # extract offset + my_split = seq_name.split('|') + tpl_id = my_split[0].strip() + if len(my_split) == 2 and my_split[1].strip().isdigit(): + # set offset + tpl_offset = int(my_split[1].strip()) + # mismatch with existing one? + old_offset = aln.GetSequenceOffset(i) + if old_offset > 0 and old_offset != tpl_offset: + helper.MsgErrorAndExit("Inconsistent offsets between seq. name"+ + " and seq. in alignment for " + seq_name, + 42) + else: + aln.SetSequenceOffset(i, tpl_offset) + elif len(my_split) == 2 and not my_split[1].strip().isdigit(): + helper.MsgErrorAndExit("Non-integer offset defined in seq. name "+ + seq_name, 43) + elif len(my_split) > 2: + helper.MsgErrorAndExit("Too many '|' in seq. name " + seq_name, 44) + # identify chain and attach view + if len(chain_entities) == 1: + aln.AttachView(i, chain_entities['UNIQUE'].CreateFullView()) + elif chain_entities.has_key(tpl_id): + aln.AttachView(i, chain_entities[tpl_id].CreateFullView()) + else: + helper.MsgErrorAndExit("Could not find chain with ID " + tpl_id + + " (should be <FILE>.<CHAIN>) to attach to"+ + " sequence named " + seq_name, 45) class PM3ArgumentParser(argparse.ArgumentParser): """ - This class is a child of :class:`argparse.ArgumentParser`. It provides a - set of standard arguments which can be activated, rather than added via the - traditional way. This helps keeping up a common naming scheme throughout - all |project| actions. As a real extension, this subclass provides checking - of input parameters on :meth:`Parse`. Beside + This class is a child of :class:`argparse.ArgumentParser`. It provides a set + of standard arguments which can be activated with :meth:`Add*` methods and + then assembled with :meth:`AssembleParser`. This helps keeping up a common + naming scheme throughout all |project| actions. As a real extension, this + subclass provides checking of input parameters on :meth:`Parse`. Besides this, everything you can do with a 'real' :class:`~argparse.ArgumentParser` instance is possible here. - A note on exit codes: if :meth:`~pm3argparse.PM3ArgumentParser.Parse` is - called on unrecognised arguments, the script exits with a code 2 by - :class:`argparse.ArgumentParser.parse_args()`. - Attributes beyond :class:`argparse.ArgumentParser`: .. attribute:: action @@ -318,7 +345,7 @@ class PM3ArgumentParser(argparse.ArgumentParser): formatter_class=\ argparse.ArgumentDefaultsHelpFormatter) self.action = action - self.activate = dict() + self.activate = set() def _print_message(self, message, file=None): #pylint: disable=redefined-builtin @@ -339,17 +366,24 @@ class PM3ArgumentParser(argparse.ArgumentParser): def Parse(self, args=None): """ - Parse an argument string. + Parse an argument string. See :meth:`Add*` methods. + + Options/arguments added by default: ``-h/--help`` shows usage. + + General exit codes: + + * 1 - an unhandled exception was raised + * 2 - arguments cannot be parsed or required arguments are missing :param args: The argument string. As default |sysargv|_ is used. :type args: :class:`list` - :returns: :class:`promod3.core.pm3argparse.PM3OptionsNamespace`. + :returns: Namespace filled with attributes (see :meth:`Add*` methods). """ opts = PM3OptionsNamespace() self.parse_args(args=args, namespace=opts) - opts.PostProcess(self.activate.keys()) + opts.PostProcess(self.activate) return opts def AssembleParser(self): @@ -360,155 +394,285 @@ class PM3ArgumentParser(argparse.ArgumentParser): :meth:`AssembleParser` will put everything in place, in the right order and with the right constraints. """ - if 'ALIGNMENT' in self.activate.keys(): + if 'ALIGNMENT' in self.activate: self._AssembleAlignment() + if 'STRUCTURE' in self.activate: + self._AssembleStructure() - def AddAlignment(self): + def AddAlignment(self, allow_multitemplate=False): """Commandline options for alignments. - Add everything needed to load alignments to the argument parser. Creates - several options/ arguments and adds some checks for post processing. - This method only adds a flag to the parser to add alignment options on - :meth:`AssembleParser`. Depending on which options you activate, things - need to be added in a different order or have other constraints. + Activate everything needed to load alignments to the argument parser. + Command line arguments are then added in :meth:`AssembleParser` and the + input is post processed and checked in :meth:`Parse`. - Options/ arguments added: + :param allow_multitemplate: enable support for multitemplate alignments + :type allow_multitemplate: :class:`bool` - * ``-f/ --fasta trg:<NAME> <FILE>`` - describing a target-template - alignment with ``trg:`` marking the target sequence inside - :file:`<FILE>`. The order of arguments is arbitrary which means file - names starting with :file:`trg:` will not work. + Options/arguments added: - * ``-j/ --json <OBJECT>|<FILE>`` - target-template alignments in JSON - format. Either an object string or a file name. The string variant is - limited to how many characters your command line can gobble. + * ``-f/--fasta <FILE>`` - Target-template alignment in FASTA format. + Target sequence is either named "trg" or "target" or the first + sequence is used. File can be plain or gzipped. - Exit codes related to alignment input: + * ``-c/--clustal <FILE>`` - Target-template alignment in CLUSTAL format. + Target sequence is either named "trg" or "target" or the first + sequence is used. File can be plain or gzipped. - * 11 - no prefix ``trg:`` found for an argument to ``--fasta`` + * ``-j/--json <OBJECT>|<FILE>`` - Alignments provided as JSON + file/object. File can be plain or gzipped. - * 12 - a given alignment file does not exist + Notes: - * 13 - never raised (parameter for checking gzip files) + * one of the inputs must be given and only one type of input acceptable - * 14 - empty target name found (``trg:``) + * callable multiple times (target chains appended in given order) - * 15 - found an empty alignment file + * leading whitespaces of sequence names will be deleted + + * FASTA input: leading whitespaces of fasta headers will be deleted + + * JSON input: filename are not allowed to start with '{'. + JSON object contains an entry with key 'alignmentlist'. + That in turn is an array of objects with keys 'target' and 'template'. + Those in turn are objects with keys + 'name' (string id. for sequence), + 'seqres' (string for sequence ('-' = gap)) and optionally + 'offset' (offset for sequence (#res. to skip in structure file)). + + Attributes added to the namespace returned by :meth:`Parse`: - * 16 - alignment with more than 2 sequences found + * :attr:`fasta` - filled with the input of the ``--fasta`` option, a + :class:`list` of :class:`str` (filenames). - * 17 - target sequence name not found in alignment + * :attr:`clustal` - filled with the input of the ``--clustal`` option, a + :class:`list` of :class:`str` (filenames). - * 18 - sequences in the alignment have different length + * :attr:`json` - filled with the input of the ``--json`` option, a + :class:`list` of :class:`str`, where each string may be a filename + or a JSON object string. - * 19 - problem with a JSON formatted file handed over to ``--json`` + * :attr:`alignments` - :class:`ost.AlignmentList`, same order as given. + First sequence of the alignment is the target sequence, if in doubt, + check for sequence roles ``TARGET`` or ``TEMPLATE`` - * 20 - JSON file could not be decoded into a JSON object + * :attr:`aln_sources` - :class:`list` of :class:`str` with the original + source(s) of the alignment: may be filename(s) or JSON strings. + + Exit codes related to alignment input: + * 12 - a given alignment file does not exist + * 13 - never raised (parameter for checking gzip files) + * 14 - gzip file cannot be opened + * 15 - found an empty alignment file + * 16 - unsupported number of sequences in alignment: only 1 sequence or + (unless *allow_multitemplate* = True) more than 2 sequences + * 17 - mutliple target sequences found in alignment + * 18 - error when reading fasta/clustal file + * 19 - problem with a JSON formatted file handed over to ``--json`` + * 20 - JSON file could not be decoded into a JSON object * 21 - JSON object has no 'alignmentlist' key + * 22 - JSON object has no 'target'/'template' in the 'alignmentlist' + * 23 - JSON string could not be decoded + * 24 - JSON object 'alignmentlist' does not point to a list + * 25 - JSON object 'alignmentlist' member is not a dictionary + * 26 - JSON object 'alignmentlist' 'target'/'template' does not point + to a dictionary + * 27 - JSON object 'alignmentlist' 'target'/'template' does not have + a needed key + * 28 - JSON object 'alignmentlist' 'target'/'template' has a value of + wrong type + """ + self.activate.add('ALIGNMENT') + if allow_multitemplate: + self.activate.add('ALLOW_MULTITEMPLATE') - * 22 - JSON object has no 'target'/ 'template' in the 'alignmentlist' + def AddStructure(self, attach_views=False): + """Commandline options for structures. - * 23 - JSON string could not be decoded + Activate everything needed to load alignments to the argument parser. + Command line arguments are then added in :meth:`AssembleParser` and the + input is post processed and checked in :meth:`Parse`. - * 24 - JSON object 'alignmentlist' does not point to a list + :param attach_views: if True: attach views to alignments. Requires call + to :meth:`AddAlignment`. Chains for each sequence + are identified based on the sequence name of the + templates in the alignments. Valid names are: - * 25 - JSON object 'alignmentlist' member is not a dictionary + - anything, iff only one structure with one chain + - "<FILE>.<CHAIN>", where <FILE> is the base file + name of an imported structure with no extensions + and <CHAIN> is the identifier of the chain in + the imported structure. + - "<FILE>" iff only one chain in file + - "<CHAIN>" iff only one file imported + - "<CHAINID>|<OFFSET>", where <CHAINID> identifies + the chain as above and <OFFSET> is the number of + residues to skip for that chain to reach the + first residue in the aligned sequence. + Whitespaces are ignored. - * 26 - JSON object 'alignmentlist' 'target'/ 'template' does not point - to a dictionary + Example: ``... -p data/2jlp.pdb.gz``, + where pdb file has chains ``A``, ``B``, ``C`` and + there's a template sequence named ``2jlp.A|55`` - * 27 - JSON object 'alignmentlist' 'target'/ 'template' does not have - a needed key + :type attach_views: :class:`bool` - * 28 - JSON object 'alignmentlist' 'target'/ 'template' has a value of - wrong type + Options/arguments added: - Attributes added to the namespace returned by - :meth:`Parse`: + * ``-p/--pdb <FILE>`` - Structure in PDB format. File can be plain or + gzipped. - * :attr:`fasta` - filled with the input of the ``--fasta`` option, a - :class:`list` with multiple :class:`list` objects + * ``-e/--entity <FILE>`` - Structure in any format readable by the + :meth:`ost.io.LoadEntity` method. Format is chosen by file ending. + Recognized File Extensions: .ent, .pdb, .ent.gz, .pdb.gz, .cif, .cif.gz. + + Notes: + + * one of the inputs must be given and only one type of input acceptable - * :attr:`json` - argument of the ``--json`` option, :class:`str`. May - be a filename of a JSON object string. + * callable multiple times (structures appended in given order) - * :attr:`alignments` - :class:`ost.AlignmentList`, same order as - :attr:`fasta`, likely to **not** follow the order - of JSON input; first sequence of the alignment is - the target sequence, if in doubt, check for - sequence roles ``TARGET`` or ``TEMPLATE`` + Attributes added to the namespace returned by :meth:`Parse`: - * :attr:`aln_sources` - the original source of the alignment, may be - filename(s) or a string in JSON format, - :class:`list` of all sources + * :attr:`pdb` - filled with the input of the ``--pdb`` option, a + :class:`list` of :class:`str` (filenames). + + * :attr:`entity` - filled with the input of the ``--entity`` option, a + :class:`list` of :class:`str` (filenames). + + * :attr:`structures` - :class:`list` of :class:`ost.EntityHandle`, same + order as given. + + * :attr:`structure_sources` - :class:`list` of :class:`str` with the + original filenames of the structures. + + Exit codes related to alignment input: + + * 32 - a given structure file does not exist + * 33 - failure to read a given structure file + * 34 - file ending is not a supported format + + Exit codes if *attach_views* = True: + + * 41 - attach_views used without adding alignments + * 42 - inconsistent offsets between seq. name and seq. in alignment + * 43 - non-integer offset defined in seq. name + * 44 - too many "|" in seq. name + * 45 - chain to attach to sequence could not be identified """ - self.activate['ALIGNMENT'] = 1 + self.activate.add('STRUCTURE') + if attach_views: + self.activate.add('ATTACH_VIEWS') def _AssembleAlignment(self): - """ - Actually add alignment arguments/ options - """ + """Actually add alignment arguments/options.""" aln_grp = self.add_mutually_exclusive_group(required=True) - # FastA input: - always pairwise alignments - # - callable multiple times - # - goes by 'trg:<SEQNAME> <FILE>' - # - excludes JSON file/ object - # - leading whitespaces of FastA headers will be deleted - aln_grp.add_argument('-f', '--fasta', nargs=2, action='append', - metavar=('trg:<NAME>', '<FILE>'), - help='Pairwise alignment in FastA format, needs '+ - 'to declare what is the target sequence.') - # JSON input: - right as string or file - # - object starts with {, so not allowed for files - # - callable only ONCE: should include everything needed - # - fields/ objects used: ... - # - goes by '--json <OBJECT>|<FILE>' - # - excludes '--fasta' - # - leading whitespaces of sequence names will be deleted + # fasta input + aln_grp.add_argument('-f', '--fasta', metavar=('<FILE>'), + help='Target-template alignment in FASTA format. '+ + 'Target sequence is either named "trg" or '+ + '"target" or the first sequence is used. '+ + 'File can be plain or gzipped.', + action='append', default=list()) + # clustal input + aln_grp.add_argument('-c', '--clustal', metavar=('<FILE>'), + help='Target-template alignment in CLUSTAL format. '+ + 'Target sequence is either named "trg" or '+ + '"target" or the first sequence is used. '+ + 'File can be plain or gzipped.', + action='append', default=list()) + # JSON input aln_grp.add_argument('-j', '--json', metavar='<OBJECT>|<FILE>', - help='Alignments provided as JSON file/ object.', - action=PM3StoreOnceAction) + help='Alignments provided as JSON file/object. '+ + 'File can be plain or gzipped.', + action='append', default=list()) + + def _AssembleStructure(self): + """Actually add structure arguments/options.""" + aln_grp = self.add_mutually_exclusive_group(required=True) + # pdb input + aln_grp.add_argument('-p', '--pdb', metavar=('<FILE>'), + help='Structure in PDB format. '+ + 'File can be plain or gzipped.', + action='append', default=list()) + # any OST entity + aln_grp.add_argument('-e', '--entity', metavar=('<FILE>'), + help="Structure in any format readable by OST's "+ + "io.LoadEntity method. Format is chosen by file "+ + "ending. Recognized File Extensions: .ent, .pdb, "+ + ".ent.gz, .pdb.gz, .cif, .cif.gz.", + action='append', default=list()) class PM3OptionsNamespace(object): # class will grow, so for the moment pylint is ignored #pylint: disable=too-few-public-methods - """ - This one is mainly for internal use. You can use it like everything that - comes out of :meth:`argparse.ArgumentParser.parse_args`. Attributes are - added regarding how you assembled your argument parser. + """Output of :meth:`PM3ArgumentParser.Parse`. + + Like output of :meth:`argparse.ArgumentParser.parse_args` with additional + functions for convenience. """ def __init__(self): pass def PostProcess(self, activated): - """ - Post processing of activated option packs. - """ + """Post processing of activated option packs.""" + self.allow_multitemplate = 'ALLOW_MULTITEMPLATE' in activated if 'ALIGNMENT' in activated: self._PostProcessAlignment() + if 'STRUCTURE' in activated: + self._PostProcessStructure() + if 'ATTACH_VIEWS' in activated: + self._AttachViews() def _PostProcessAlignment(self): #pylint: disable=no-member #pylint: disable=attribute-defined-outside-init - """ - Doing some extra work after parsing. - """ + """Get alignments from command line input.""" self.aln_sources = list() self.alignments = seq.AlignmentList() - if self.fasta: - for src in self.fasta: - seqfile, new_aln = _FetchAlnFromFastaOpt(src) - self.alignments.append(new_aln) - self.aln_sources.append(seqfile) - return - # Now for JSON input. Since one of the options needs to be given and - # we already checked for FastA, no need to open a new branch, here. - # decide if file or object - json_obj = _GetJSONOBject(self.json) - for aln in _GetAlnFromJSON(json_obj, self.json): - self.alignments.append(aln) - self.aln_sources.append(self.json) + # parse fasta files + for src in self.fasta: + new_aln = _FetchAlnFromFile(src, self.allow_multitemplate, "fasta") + self.alignments.append(new_aln) + self.aln_sources.append(src) + # parse clustal files + for src in self.clustal: + new_aln = _FetchAlnFromFile(src, self.allow_multitemplate, "clustal") + self.alignments.append(new_aln) + self.aln_sources.append(src) + # parse JSON input + for src in self.json: + json_obj = _GetJSONOBject(src) + for aln in _GetAlnFromJSON(json_obj, src): + self.alignments.append(aln) + self.aln_sources.append(src) + + def _PostProcessStructure(self): + #pylint: disable=attribute-defined-outside-init + """Get structures from command line input.""" + self.structures = list() + self.structure_sources = list() + # parse pdb files + for src in self.pdb: + self.structures.append(_LoadPDB(src)) + self.structure_sources.append(src) + # parse generic structures + for src in self.entity: + self.structures.append(_LoadEntity(src)) + self.structure_sources.append(src) + + def _AttachViews(self): + """Attach views to tpl. sequences according to sequence names.""" + if not (hasattr(self, 'structures') and hasattr(self, 'alignments')): + helper.MsgErrorAndExit("Need to have structures and alignments to "+ + "attach views.", 41) + # get chain id to entity view (single chain) mapping (dict) + chain_entities = _GetChains(self.structures, self.structure_sources) + # go through all templates in all alignments + for aln in self.alignments: + _AttachViewsToAln(aln, chain_entities) + # LocalWords: param attr prog argparse ArgumentParser bool sys os init str # LocalWords: progattr descattr argpinit argv formatter meth args namespace diff --git a/core/tests/CMakeLists.txt b/core/tests/CMakeLists.txt index 7dfa1154..07949032 100644 --- a/core/tests/CMakeLists.txt +++ b/core/tests/CMakeLists.txt @@ -10,8 +10,22 @@ set(CORE_UNIT_TESTS set(CORE_TEST_DATA test_helper.py data/broken_on_purpose.chemlib + data/aln_tpl/1crn.fasta + data/aln_tpl/1crn_cut.pdb + data/aln_tpl/2aoh-1_cut.pdb + data/aln_tpl/2aoh-1_cut_A.fasta + data/aln_tpl/2aoh-1_cut_B.fasta + data/aln_tpl/2jlp-1.aln + data/aln_tpl/2jlp-1.fasta + data/aln_tpl/2jlp-1.json + data/aln_tpl/2jlp-1.pdb + data/aln_tpl/5d52-1_cut.pdb + data/aln_tpl/5d52-1_cut_A.fasta + data/aln_tpl/5d52-1_cut_B.fasta data/fasta/alignment.fas data/fasta/1ake.fas + data/fasta/1ake_1.fas + data/fasta/1ake_2trg.fas data/fasta/1ake_3.fas data/fasta/1ake.fas.gz data/fasta/1ake_nel.fas diff --git a/core/tests/data/aln_tpl/1crn.fasta b/core/tests/data/aln_tpl/1crn.fasta new file mode 100644 index 00000000..94674a32 --- /dev/null +++ b/core/tests/data/aln_tpl/1crn.fasta @@ -0,0 +1,4 @@ +>trg +TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN +>tpl +TTCCPSIVARSNFNVCRLPGTPEA------GCIIIPGATCPGDYAN diff --git a/core/tests/data/aln_tpl/1crn_cut.pdb b/core/tests/data/aln_tpl/1crn_cut.pdb new file mode 100644 index 00000000..a5374711 --- /dev/null +++ b/core/tests/data/aln_tpl/1crn_cut.pdb @@ -0,0 +1,284 @@ +ATOM 1 N THR A 1 17.047 14.099 3.625 1.00 13.79 N +ATOM 2 CA THR A 1 16.967 12.784 4.338 1.00 10.80 C +ATOM 3 C THR A 1 15.685 12.755 5.133 1.00 9.19 C +ATOM 4 O THR A 1 15.268 13.825 5.594 1.00 9.85 O +ATOM 5 CB THR A 1 18.170 12.703 5.337 1.00 13.02 C +ATOM 6 OG1 THR A 1 19.334 12.829 4.463 1.00 15.06 O +ATOM 7 CG2 THR A 1 18.150 11.546 6.304 1.00 14.23 C +ATOM 8 N THR A 2 15.115 11.555 5.265 1.00 7.81 N +ATOM 9 CA THR A 2 13.856 11.469 6.066 1.00 8.31 C +ATOM 10 C THR A 2 14.164 10.785 7.379 1.00 5.80 C +ATOM 11 O THR A 2 14.993 9.862 7.443 1.00 6.94 O +ATOM 12 CB THR A 2 12.732 10.711 5.261 1.00 10.32 C +ATOM 13 OG1 THR A 2 13.308 9.439 4.926 1.00 12.81 O +ATOM 14 CG2 THR A 2 12.484 11.442 3.895 1.00 11.90 C +ATOM 15 N CYS A 3 13.488 11.241 8.417 1.00 5.24 N +ATOM 16 CA CYS A 3 13.660 10.707 9.787 1.00 5.39 C +ATOM 17 C CYS A 3 12.269 10.431 10.323 1.00 4.45 C +ATOM 18 O CYS A 3 11.393 11.308 10.185 1.00 6.54 O +ATOM 19 CB CYS A 3 14.368 11.748 10.691 1.00 5.99 C +ATOM 20 SG CYS A 3 15.885 12.426 10.016 1.00 7.01 S +ATOM 21 N CYS A 4 12.019 9.272 10.928 1.00 3.90 N +ATOM 22 CA CYS A 4 10.646 8.991 11.408 1.00 4.24 C +ATOM 23 C CYS A 4 10.654 8.793 12.919 1.00 3.72 C +ATOM 24 O CYS A 4 11.659 8.296 13.491 1.00 5.30 O +ATOM 25 CB CYS A 4 10.057 7.752 10.682 1.00 4.41 C +ATOM 26 SG CYS A 4 9.837 8.018 8.904 1.00 4.72 S +ATOM 27 N PRO A 5 9.561 9.108 13.563 1.00 3.96 N +ATOM 28 CA PRO A 5 9.448 9.034 15.012 1.00 4.25 C +ATOM 29 C PRO A 5 9.288 7.670 15.606 1.00 4.96 C +ATOM 30 O PRO A 5 9.490 7.519 16.819 1.00 7.44 O +ATOM 31 CB PRO A 5 8.230 9.957 15.345 1.00 5.11 C +ATOM 32 CG PRO A 5 7.338 9.786 14.114 1.00 5.24 C +ATOM 33 CD PRO A 5 8.366 9.804 12.958 1.00 5.20 C +ATOM 34 N SER A 6 8.875 6.686 14.796 1.00 4.83 N +ATOM 35 CA SER A 6 8.673 5.314 15.279 1.00 4.45 C +ATOM 36 C SER A 6 8.753 4.376 14.083 1.00 4.99 C +ATOM 37 O SER A 6 8.726 4.858 12.923 1.00 4.61 O +ATOM 38 CB SER A 6 7.340 5.121 15.996 1.00 5.05 C +ATOM 39 OG SER A 6 6.274 5.220 15.031 1.00 6.39 O +ATOM 40 N ILE A 7 8.881 3.075 14.358 1.00 4.94 N +ATOM 41 CA ILE A 7 8.912 2.083 13.258 1.00 6.33 C +ATOM 42 C ILE A 7 7.581 2.090 12.506 1.00 5.32 C +ATOM 43 O ILE A 7 7.670 2.031 11.245 1.00 6.85 O +ATOM 44 CB ILE A 7 9.207 0.677 13.924 1.00 8.43 C +ATOM 45 CG1 ILE A 7 10.714 0.702 14.312 1.00 9.78 C +ATOM 46 CG2 ILE A 7 8.811 -0.477 12.969 1.00 11.70 C +ATOM 47 CD1 ILE A 7 11.185 -0.516 15.142 1.00 9.92 C +ATOM 48 N VAL A 8 6.458 2.162 13.159 1.00 5.02 N +ATOM 49 CA VAL A 8 5.145 2.209 12.453 1.00 6.93 C +ATOM 50 C VAL A 8 5.115 3.379 11.461 1.00 5.39 C +ATOM 51 O VAL A 8 4.664 3.268 10.343 1.00 6.30 O +ATOM 52 CB VAL A 8 3.995 2.354 13.478 1.00 9.64 C +ATOM 53 CG1 VAL A 8 2.716 2.891 12.869 1.00 13.85 C +ATOM 54 CG2 VAL A 8 3.758 1.032 14.208 1.00 11.97 C +ATOM 55 N ALA A 9 5.606 4.546 11.941 1.00 3.73 N +ATOM 56 CA ALA A 9 5.598 5.767 11.082 1.00 3.56 C +ATOM 57 C ALA A 9 6.441 5.527 9.850 1.00 4.13 C +ATOM 58 O ALA A 9 6.052 5.933 8.744 1.00 4.36 O +ATOM 59 CB ALA A 9 6.022 6.977 11.891 1.00 4.80 C +ATOM 60 N ARG A 10 7.647 4.909 10.005 1.00 3.73 N +ATOM 61 CA ARG A 10 8.496 4.609 8.837 1.00 3.38 C +ATOM 62 C ARG A 10 7.798 3.609 7.876 1.00 3.47 C +ATOM 63 O ARG A 10 7.878 3.778 6.651 1.00 4.67 O +ATOM 64 CB ARG A 10 9.847 4.020 9.305 1.00 3.95 C +ATOM 65 CG ARG A 10 10.752 3.607 8.149 1.00 4.55 C +ATOM 66 CD ARG A 10 11.226 4.699 7.244 1.00 5.89 C +ATOM 67 NE ARG A 10 12.143 5.571 8.035 1.00 6.20 N +ATOM 68 CZ ARG A 10 12.758 6.609 7.443 1.00 7.52 C +ATOM 69 NH1 ARG A 10 12.539 6.932 6.158 1.00 10.68 N +ATOM 70 NH2 ARG A 10 13.601 7.322 8.202 1.00 9.48 N +ATOM 71 N SER A 11 7.186 2.582 8.445 1.00 5.19 N +ATOM 72 CA SER A 11 6.500 1.584 7.565 1.00 4.60 C +ATOM 73 C SER A 11 5.382 2.313 6.773 1.00 4.84 C +ATOM 74 O SER A 11 5.213 2.016 5.557 1.00 5.84 O +ATOM 75 CB SER A 11 5.908 0.462 8.400 1.00 5.91 C +ATOM 76 OG SER A 11 6.990 -0.272 9.012 1.00 8.38 O +ATOM 77 N ASN A 12 4.648 3.182 7.446 1.00 3.54 N +ATOM 78 CA ASN A 12 3.545 3.935 6.751 1.00 4.57 C +ATOM 79 C ASN A 12 4.107 4.851 5.691 1.00 4.14 C +ATOM 80 O ASN A 12 3.536 5.001 4.617 1.00 5.52 O +ATOM 81 CB ASN A 12 2.663 4.677 7.748 1.00 6.42 C +ATOM 82 CG ASN A 12 1.802 3.735 8.610 1.00 8.25 C +ATOM 83 OD1 ASN A 12 1.567 2.613 8.165 1.00 12.72 O +ATOM 84 ND2 ASN A 12 1.394 4.252 9.767 1.00 9.92 N +ATOM 85 N PHE A 13 5.259 5.498 6.005 1.00 3.43 N +ATOM 86 CA PHE A 13 5.929 6.358 5.055 1.00 3.49 C +ATOM 87 C PHE A 13 6.304 5.578 3.799 1.00 3.40 C +ATOM 88 O PHE A 13 6.136 6.072 2.653 1.00 4.07 O +ATOM 89 CB PHE A 13 7.183 6.994 5.754 1.00 5.48 C +ATOM 90 CG PHE A 13 7.884 8.006 4.883 1.00 5.57 C +ATOM 91 CD1 PHE A 13 8.906 7.586 4.027 1.00 6.99 C +ATOM 92 CD2 PHE A 13 7.532 9.373 4.983 1.00 6.52 C +ATOM 93 CE1 PHE A 13 9.560 8.539 3.194 1.00 8.20 C +ATOM 94 CE2 PHE A 13 8.176 10.281 4.145 1.00 6.34 C +ATOM 95 CZ PHE A 13 9.141 9.845 3.292 1.00 6.84 C +ATOM 96 N ASN A 14 6.900 4.390 3.989 1.00 3.64 N +ATOM 97 CA ASN A 14 7.331 3.607 2.791 1.00 4.31 C +ATOM 98 C ASN A 14 6.116 3.210 1.915 1.00 3.98 C +ATOM 99 O ASN A 14 6.240 3.144 0.684 1.00 6.22 O +ATOM 100 CB ASN A 14 8.145 2.404 3.240 1.00 5.81 C +ATOM 101 CG ASN A 14 9.555 2.856 3.730 1.00 6.82 C +ATOM 102 OD1 ASN A 14 10.013 3.895 3.323 1.00 9.43 O +ATOM 103 ND2 ASN A 14 10.120 1.956 4.539 1.00 8.21 N +ATOM 104 N VAL A 15 4.993 2.927 2.571 1.00 3.76 N +ATOM 105 CA VAL A 15 3.782 2.599 1.742 1.00 3.98 C +ATOM 106 C VAL A 15 3.296 3.871 1.004 1.00 3.80 C +ATOM 107 O VAL A 15 2.947 3.817 -0.189 1.00 4.85 O +ATOM 108 CB VAL A 15 2.698 1.953 2.608 1.00 4.71 C +ATOM 109 CG1 VAL A 15 1.384 1.826 1.806 1.00 6.67 C +ATOM 110 CG2 VAL A 15 3.174 0.533 3.005 1.00 6.26 C +ATOM 111 N CYS A 16 3.321 4.987 1.720 1.00 3.79 N +ATOM 112 CA CYS A 16 2.890 6.285 1.126 1.00 3.54 C +ATOM 113 C CYS A 16 3.687 6.597 -0.111 1.00 3.48 C +ATOM 114 O CYS A 16 3.200 7.147 -1.103 1.00 4.63 O +ATOM 115 CB CYS A 16 3.039 7.369 2.240 1.00 4.58 C +ATOM 116 SG CYS A 16 2.559 9.014 1.649 1.00 5.66 S +ATOM 117 N ARG A 17 4.997 6.227 -0.100 1.00 3.99 N +ATOM 118 CA ARG A 17 5.895 6.489 -1.213 1.00 3.83 C +ATOM 119 C ARG A 17 5.738 5.560 -2.409 1.00 3.79 C +ATOM 120 O ARG A 17 6.228 5.901 -3.507 1.00 5.39 O +ATOM 121 CB ARG A 17 7.370 6.507 -0.731 1.00 4.11 C +ATOM 122 CG ARG A 17 7.717 7.687 0.206 1.00 4.69 C +ATOM 123 CD ARG A 17 7.949 8.947 -0.615 1.00 5.10 C +ATOM 124 NE ARG A 17 9.212 8.856 -1.337 1.00 4.71 N +ATOM 125 CZ ARG A 17 9.537 9.533 -2.431 1.00 5.28 C +ATOM 126 NH1 ARG A 17 8.659 10.350 -3.032 1.00 6.67 N +ATOM 127 NH2 ARG A 17 10.793 9.491 -2.899 1.00 6.41 N +ATOM 128 N LEU A 18 5.051 4.411 -2.204 1.00 4.70 N +ATOM 129 CA LEU A 18 4.933 3.431 -3.326 1.00 5.46 C +ATOM 130 C LEU A 18 4.397 4.014 -4.620 1.00 5.13 C +ATOM 131 O LEU A 18 4.988 3.755 -5.687 1.00 5.55 O +ATOM 132 CB LEU A 18 4.196 2.184 -2.863 1.00 6.47 C +ATOM 133 CG LEU A 18 4.960 1.178 -1.991 1.00 7.43 C +ATOM 134 CD1 LEU A 18 3.907 0.097 -1.634 1.00 8.70 C +ATOM 135 CD2 LEU A 18 6.129 0.606 -2.768 1.00 9.39 C +ATOM 136 N PRO A 19 3.329 4.795 -4.543 1.00 4.28 N +ATOM 137 CA PRO A 19 2.792 5.376 -5.797 1.00 5.38 C +ATOM 138 C PRO A 19 3.573 6.540 -6.322 1.00 6.30 C +ATOM 139 O PRO A 19 3.260 7.045 -7.422 1.00 9.62 O +ATOM 140 CB PRO A 19 1.358 5.766 -5.472 1.00 5.87 C +ATOM 141 CG PRO A 19 1.223 5.694 -3.993 1.00 6.47 C +ATOM 142 CD PRO A 19 2.421 4.941 -3.408 1.00 6.45 C +ATOM 143 N GLY A 20 4.565 7.047 -5.559 1.00 4.94 N +ATOM 144 CA GLY A 20 5.366 8.191 -6.018 1.00 5.39 C +ATOM 145 C GLY A 20 5.007 9.481 -5.280 1.00 5.03 C +ATOM 146 O GLY A 20 5.535 10.510 -5.730 1.00 7.34 O +ATOM 147 N THR A 21 4.181 9.438 -4.262 1.00 4.10 N +ATOM 148 CA THR A 21 3.767 10.609 -3.513 1.00 3.94 C +ATOM 149 C THR A 21 5.017 11.397 -3.042 1.00 3.96 C +ATOM 150 O THR A 21 5.947 10.757 -2.523 1.00 5.82 O +ATOM 151 CB THR A 21 2.992 10.188 -2.225 1.00 4.13 C +ATOM 152 OG1 THR A 21 2.051 9.144 -2.623 1.00 5.45 O +ATOM 153 CG2 THR A 21 2.260 11.349 -1.551 1.00 5.41 C +ATOM 154 N PRO A 22 4.971 12.703 -3.176 1.00 5.04 N +ATOM 155 CA PRO A 22 6.143 13.513 -2.696 1.00 4.69 C +ATOM 156 C PRO A 22 6.400 13.233 -1.225 1.00 4.19 C +ATOM 157 O PRO A 22 5.485 13.061 -0.382 1.00 4.47 O +ATOM 158 CB PRO A 22 5.703 14.969 -2.920 1.00 7.12 C +ATOM 159 CG PRO A 22 4.676 14.893 -3.996 1.00 7.03 C +ATOM 160 CD PRO A 22 3.964 13.567 -3.811 1.00 4.90 C +ATOM 161 N GLU A 23 7.728 13.297 -0.921 1.00 5.16 N +ATOM 162 CA GLU A 23 8.114 13.103 0.500 1.00 5.31 C +ATOM 163 C GLU A 23 7.427 14.073 1.410 1.00 4.11 C +ATOM 164 O GLU A 23 7.036 13.682 2.540 1.00 5.11 O +ATOM 165 CB GLU A 23 9.648 13.285 0.660 1.00 6.16 C +ATOM 166 CG GLU A 23 10.440 12.093 0.063 1.00 7.48 C +ATOM 167 CD GLU A 23 11.941 12.170 0.391 1.00 9.40 C +ATOM 168 OE1 GLU A 23 12.416 13.225 0.681 1.00 10.40 O +ATOM 169 OE2 GLU A 23 12.539 11.070 0.292 1.00 13.32 O +ATOM 170 N ALA A 24 7.212 15.334 0.966 1.00 4.56 N +ATOM 171 CA ALA A 24 6.614 16.317 1.913 1.00 4.49 C +ATOM 172 C ALA A 24 5.212 15.936 2.350 1.00 4.10 C +ATOM 173 O ALA A 24 4.782 16.166 3.495 1.00 5.64 O +ATOM 174 CB ALA A 24 6.605 17.695 1.246 1.00 5.80 C +ATOM 175 N GLY A 31 3.984 11.764 10.241 1.00 4.99 N +ATOM 176 CA GLY A 31 4.769 12.336 11.360 1.00 5.50 C +ATOM 177 C GLY A 31 6.255 12.243 11.106 1.00 4.19 C +ATOM 178 O GLY A 31 7.037 12.750 11.954 1.00 6.12 O +ATOM 179 N CYS A 32 6.710 11.631 9.992 1.00 4.30 N +ATOM 180 CA CYS A 32 8.140 11.694 9.635 1.00 4.89 C +ATOM 181 C CYS A 32 8.500 13.141 9.206 1.00 5.50 C +ATOM 182 O CYS A 32 7.581 13.949 8.944 1.00 5.82 O +ATOM 183 CB CYS A 32 8.504 10.686 8.530 1.00 4.66 C +ATOM 184 SG CYS A 32 8.048 8.987 8.881 1.00 5.33 S +ATOM 185 N ILE A 33 9.793 13.410 9.173 1.00 6.02 N +ATOM 186 CA ILE A 33 10.280 14.760 8.823 1.00 5.24 C +ATOM 187 C ILE A 33 11.346 14.658 7.743 1.00 5.16 C +ATOM 188 O ILE A 33 11.971 13.583 7.552 1.00 7.19 O +ATOM 189 CB ILE A 33 10.790 15.535 10.085 1.00 5.49 C +ATOM 190 CG1 ILE A 33 12.059 14.803 10.671 1.00 6.85 C +ATOM 191 CG2 ILE A 33 9.684 15.686 11.138 1.00 6.45 C +ATOM 192 CD1 ILE A 33 12.733 15.676 11.781 1.00 8.94 C +ATOM 193 N ILE A 34 11.490 15.773 7.038 1.00 5.52 N +ATOM 194 CA ILE A 34 12.552 15.877 6.036 1.00 6.82 C +ATOM 195 C ILE A 34 13.590 16.917 6.560 1.00 6.92 C +ATOM 196 O ILE A 34 13.168 18.006 6.945 1.00 9.22 O +ATOM 197 CB ILE A 34 11.987 16.360 4.681 1.00 8.11 C +ATOM 198 CG1 ILE A 34 10.914 15.338 4.163 1.00 9.59 C +ATOM 199 CG2 ILE A 34 13.131 16.517 3.629 1.00 9.73 C +ATOM 200 CD1 ILE A 34 10.151 16.024 2.938 1.00 13.41 C +ATOM 201 N ILE A 35 14.856 16.493 6.536 1.00 7.06 N +ATOM 202 CA ILE A 35 15.930 17.454 6.941 1.00 7.52 C +ATOM 203 C ILE A 35 16.913 17.550 5.819 1.00 6.63 C +ATOM 204 O ILE A 35 17.097 16.660 4.970 1.00 7.90 O +ATOM 205 CB ILE A 35 16.622 16.995 8.285 1.00 8.07 C +ATOM 206 CG1 ILE A 35 17.360 15.651 8.067 1.00 9.41 C +ATOM 207 CG2 ILE A 35 15.592 16.974 9.434 1.00 9.46 C +ATOM 208 CD1 ILE A 35 18.298 15.206 9.219 1.00 9.85 C +ATOM 209 N PRO A 36 17.664 18.669 5.806 1.00 8.07 N +ATOM 210 CA PRO A 36 18.635 18.861 4.738 1.00 8.78 C +ATOM 211 C PRO A 36 19.925 18.042 4.949 1.00 8.31 C +ATOM 212 O PRO A 36 20.593 17.742 3.945 1.00 9.09 O +ATOM 213 CB PRO A 36 18.945 20.364 4.783 1.00 9.67 C +ATOM 214 CG PRO A 36 18.238 20.937 5.908 1.00 10.15 C +ATOM 215 CD PRO A 36 17.371 19.900 6.596 1.00 9.53 C +ATOM 216 N GLY A 37 20.172 17.730 6.217 1.00 8.48 N +ATOM 217 CA GLY A 37 21.452 16.969 6.513 1.00 9.20 C +ATOM 218 C GLY A 37 21.143 15.478 6.427 1.00 10.41 C +ATOM 219 O GLY A 37 20.138 15.023 5.878 1.00 12.06 O +ATOM 220 N ALA A 38 22.055 14.701 7.032 1.00 9.24 N +ATOM 221 CA ALA A 38 22.019 13.242 7.020 1.00 9.24 C +ATOM 222 C ALA A 38 21.944 12.628 8.396 1.00 9.60 C +ATOM 223 O ALA A 38 21.869 11.387 8.435 1.00 13.65 O +ATOM 224 CB ALA A 38 23.246 12.697 6.275 1.00 10.43 C +ATOM 225 N THR A 39 21.894 13.435 9.436 1.00 8.70 N +ATOM 226 CA THR A 39 21.936 12.911 10.809 1.00 9.46 C +ATOM 227 C THR A 39 20.615 13.191 11.521 1.00 8.32 C +ATOM 228 O THR A 39 20.357 14.317 11.948 1.00 9.89 O +ATOM 229 CB THR A 39 23.131 13.601 11.593 1.00 10.72 C +ATOM 230 OG1 THR A 39 24.284 13.401 10.709 1.00 11.66 O +ATOM 231 CG2 THR A 39 23.340 12.935 12.962 1.00 11.81 C +ATOM 232 N CYS A 40 19.827 12.110 11.642 1.00 7.64 N +ATOM 233 CA CYS A 40 18.504 12.312 12.298 1.00 8.05 C +ATOM 234 C CYS A 40 18.684 12.451 13.784 1.00 7.63 C +ATOM 235 O CYS A 40 19.533 11.718 14.362 1.00 9.64 O +ATOM 236 CB CYS A 40 17.582 11.117 11.996 1.00 7.80 C +ATOM 237 SG CYS A 40 17.199 10.929 10.237 1.00 7.30 S +ATOM 238 N PRO A 41 17.880 13.266 14.426 1.00 8.00 N +ATOM 239 CA PRO A 41 17.924 13.421 15.877 1.00 8.96 C +ATOM 240 C PRO A 41 17.392 12.206 16.594 1.00 9.06 C +ATOM 241 O PRO A 41 16.652 11.368 16.033 1.00 8.82 O +ATOM 242 CB PRO A 41 17.076 14.658 16.145 1.00 10.39 C +ATOM 243 CG PRO A 41 16.098 14.689 14.997 1.00 10.99 C +ATOM 244 CD PRO A 41 16.859 14.150 13.779 1.00 10.49 C +ATOM 245 N GLY A 42 17.728 12.124 17.884 1.00 7.55 N +ATOM 246 CA GLY A 42 17.334 10.956 18.691 1.00 8.00 C +ATOM 247 C GLY A 42 15.875 10.688 18.871 1.00 7.22 C +ATOM 248 O GLY A 42 15.434 9.550 19.166 1.00 8.41 O +ATOM 249 N ASP A 43 15.036 11.747 18.715 1.00 5.54 N +ATOM 250 CA ASP A 43 13.564 11.573 18.836 1.00 5.85 C +ATOM 251 C ASP A 43 12.936 11.227 17.470 1.00 5.87 C +ATOM 252 O ASP A 43 11.720 11.040 17.428 1.00 7.29 O +ATOM 253 CB ASP A 43 12.933 12.737 19.580 1.00 6.72 C +ATOM 254 CG ASP A 43 13.140 14.094 18.958 1.00 8.59 C +ATOM 255 OD1 ASP A 43 14.109 14.303 18.212 1.00 9.59 O +ATOM 256 OD2 ASP A 43 12.267 14.963 19.265 1.00 11.45 O +ATOM 257 N TYR A 44 13.725 11.174 16.425 1.00 5.22 N +ATOM 258 CA TYR A 44 13.257 10.745 15.081 1.00 5.56 C +ATOM 259 C TYR A 44 14.275 9.687 14.612 1.00 4.61 C +ATOM 260 O TYR A 44 14.930 9.862 13.568 1.00 6.04 O +ATOM 261 CB TYR A 44 13.200 11.914 14.071 1.00 5.41 C +ATOM 262 CG TYR A 44 12.000 12.819 14.399 1.00 5.34 C +ATOM 263 CD1 TYR A 44 12.119 13.853 15.332 1.00 6.59 C +ATOM 264 CD2 TYR A 44 10.775 12.617 13.762 1.00 5.94 C +ATOM 265 CE1 TYR A 44 11.045 14.675 15.610 1.00 5.97 C +ATOM 266 CE2 TYR A 44 9.676 13.433 14.048 1.00 5.17 C +ATOM 267 CZ TYR A 44 9.802 14.456 14.996 1.00 5.96 C +ATOM 268 OH TYR A 44 8.740 15.265 15.269 1.00 8.60 O +ATOM 269 N ALA A 45 14.342 8.640 15.422 1.00 4.76 N +ATOM 270 CA ALA A 45 15.445 7.667 15.246 1.00 5.89 C +ATOM 271 C ALA A 45 15.171 6.533 14.280 1.00 6.67 C +ATOM 272 O ALA A 45 16.093 5.705 14.039 1.00 7.56 O +ATOM 273 CB ALA A 45 15.680 7.099 16.682 1.00 6.82 C +ATOM 274 N ASN A 46 13.966 6.502 13.739 1.00 5.80 N +ATOM 275 CA ASN A 46 13.512 5.395 12.878 1.00 6.15 C +ATOM 276 C ASN A 46 13.311 5.853 11.455 1.00 6.61 C +ATOM 277 O ASN A 46 13.733 6.929 11.026 1.00 7.18 O +ATOM 278 CB ASN A 46 12.266 4.769 13.501 1.00 7.27 C +ATOM 279 CG ASN A 46 12.538 4.304 14.922 1.00 7.98 C +ATOM 280 OD1 ASN A 46 11.982 4.849 15.886 1.00 11.00 O +ATOM 281 ND2 ASN A 46 13.407 3.298 15.015 1.00 10.32 N +ATOM 282 OXT ASN A 46 12.703 4.973 10.746 1.00 7.86 O +TER 283 ASN A 46 +END diff --git a/core/tests/data/aln_tpl/2aoh-1_cut.pdb b/core/tests/data/aln_tpl/2aoh-1_cut.pdb new file mode 100644 index 00000000..bfc6249e --- /dev/null +++ b/core/tests/data/aln_tpl/2aoh-1_cut.pdb @@ -0,0 +1,1411 @@ +ATOM 1 N PRO A 1 0.728 40.160 17.472 1.00 28.70 N +ATOM 2 CA PRO A 1 -0.100 39.079 17.987 1.00 26.28 C +ATOM 3 C PRO A 1 0.437 38.428 19.267 1.00 22.54 C +ATOM 4 O PRO A 1 1.613 38.511 19.551 1.00 23.92 O +ATOM 5 CB PRO A 1 -0.027 38.019 16.887 1.00 30.01 C +ATOM 6 CG PRO A 1 0.765 38.612 15.776 1.00 33.61 C +ATOM 7 CD PRO A 1 1.639 39.676 16.406 1.00 31.77 C +ATOM 8 N GLN A 2 -0.441 37.765 20.022 1.00 20.13 N +ATOM 9 CA GLN A 2 -0.018 36.863 21.087 1.00 20.70 C +ATOM 10 C GLN A 2 -0.182 35.440 20.551 1.00 20.82 C +ATOM 11 O GLN A 2 -1.262 35.032 20.121 1.00 23.83 O +ATOM 12 CB GLN A 2 -0.829 36.982 22.366 1.00 23.04 C +ATOM 13 CG GLN A 2 -0.532 35.832 23.345 1.00 22.69 C +ATOM 14 CD GLN A 2 -1.186 36.139 24.688 1.00 26.38 C +ATOM 15 OE1 GLN A 2 -2.217 35.566 25.050 1.00 28.80 O +ATOM 16 NE2 GLN A 2 -0.561 37.075 25.390 1.00 27.20 N +ATOM 17 N ILE A 3 0.872 34.665 20.529 1.00 19.11 N +ATOM 18 CA ILE A 3 0.799 33.297 19.981 1.00 18.73 C +ATOM 19 C ILE A 3 1.001 32.295 21.113 1.00 17.38 C +ATOM 20 O ILE A 3 2.035 32.362 21.798 1.00 17.54 O +ATOM 21 CB ILE A 3 1.866 33.141 18.895 1.00 19.47 C +ATOM 22 CG1 ILE A 3 1.700 34.188 17.752 1.00 19.41 C +ATOM 23 CG2 ILE A 3 1.913 31.713 18.346 1.00 21.22 C +ATOM 24 CD1 ILE A 3 2.811 34.138 16.726 1.00 26.90 C +ATOM 25 N THR A 4 0.029 31.421 21.306 1.00 18.39 N +ATOM 26 CA THR A 4 0.115 30.347 22.289 1.00 16.90 C +ATOM 27 C THR A 4 0.921 29.224 21.695 1.00 15.11 C +ATOM 28 O THR A 4 1.282 29.178 20.504 1.00 18.08 O +ATOM 29 CB THR A 4 -1.298 29.863 22.671 1.00 17.87 C +ATOM 30 OG1 THR A 4 -1.978 29.464 21.474 1.00 21.70 O +ATOM 31 CG2 THR A 4 -2.062 31.017 23.294 1.00 20.32 C +ATOM 32 N LEU A 5 1.214 28.308 22.605 1.00 14.47 N +ATOM 33 CA LEU A 5 2.181 27.263 22.248 1.00 13.90 C +ATOM 34 C LEU A 5 1.585 25.875 22.297 1.00 13.61 C +ATOM 35 O LEU A 5 2.333 24.865 22.353 1.00 13.85 O +ATOM 36 CB LEU A 5 3.434 27.444 23.125 1.00 13.58 C +ATOM 37 CG LEU A 5 4.212 28.740 22.830 1.00 13.56 C +ATOM 38 CD1 LEU A 5 5.313 28.934 23.882 1.00 15.84 C +ATOM 39 CD2 LEU A 5 4.815 28.721 21.446 1.00 16.47 C +ATOM 40 N THR A 12 3.646 32.663 8.228 1.00 18.64 N +ATOM 41 CA THR A 12 4.117 32.933 6.858 1.00 20.78 C +ATOM 42 C THR A 12 5.187 34.007 6.798 1.00 19.51 C +ATOM 43 O THR A 12 5.144 35.046 7.465 1.00 20.37 O +ATOM 44 CB THR A 12 2.888 33.311 6.014 1.00 24.13 C +ATOM 45 OG1 THR A 12 1.937 32.231 6.111 1.00 28.51 O +ATOM 46 CG2 THR A 12 3.214 33.417 4.535 1.00 26.97 C +ATOM 47 N ILE A 13 6.173 33.688 5.960 1.00 17.50 N +ATOM 48 CA ILE A 13 7.269 34.621 5.689 1.00 17.17 C +ATOM 49 C ILE A 13 7.375 34.874 4.194 1.00 17.41 C +ATOM 50 O ILE A 13 6.954 34.048 3.393 1.00 19.08 O +ATOM 51 CB ILE A 13 8.582 34.077 6.247 1.00 17.84 C +ATOM 52 CG1 ILE A 13 9.121 32.869 5.478 1.00 17.62 C +ATOM 53 CG2 ILE A 13 8.347 33.826 7.749 1.00 18.25 C +ATOM 54 CD1 ILE A 13 10.596 32.589 5.758 1.00 15.45 C +ATOM 55 N LYS A 14 7.904 36.035 3.852 1.00 17.70 N +ATOM 56 CA LYS A 14 8.305 36.308 2.478 1.00 17.79 C +ATOM 57 C LYS A 14 9.818 36.507 2.475 1.00 18.31 C +ATOM 58 O LYS A 14 10.339 37.359 3.239 1.00 20.11 O +ATOM 59 CB LYS A 14 7.582 37.513 1.893 0.58 20.19 C +ATOM 60 CG LYS A 14 7.876 37.827 0.428 0.58 21.89 C +ATOM 61 CD LYS A 14 7.568 39.309 0.206 0.58 25.46 C +ATOM 62 CE LYS A 14 7.497 40.005 1.568 0.58 30.10 C +ATOM 63 NZ LYS A 14 8.172 41.332 1.519 0.58 35.46 N +ATOM 64 N ILE A 15 10.495 35.732 1.622 1.00 17.62 N +ATOM 65 CA ILE A 15 11.959 35.818 1.520 1.00 17.92 C +ATOM 66 C ILE A 15 12.396 35.524 0.098 1.00 20.50 C +ATOM 67 O ILE A 15 11.860 34.585 -0.517 1.00 19.24 O +ATOM 68 CB ILE A 15 12.631 34.813 2.462 1.00 20.15 C +ATOM 69 CG1 ILE A 15 14.166 34.786 2.324 1.00 22.74 C +ATOM 70 CG2 ILE A 15 12.038 33.423 2.281 1.00 21.38 C +ATOM 71 CD1 ILE A 15 14.780 34.067 3.491 1.00 25.56 C +ATOM 72 N GLY A 16 13.322 36.313 -0.468 1.00 21.01 N +ATOM 73 CA GLY A 16 13.710 36.001 -1.848 1.00 23.49 C +ATOM 74 C GLY A 16 12.546 35.985 -2.827 1.00 22.94 C +ATOM 75 O GLY A 16 12.571 35.249 -3.826 1.00 26.05 O +ATOM 76 N GLY A 17 11.489 36.745 -2.557 1.00 23.91 N +ATOM 77 CA GLY A 17 10.327 36.827 -3.427 1.00 24.31 C +ATOM 78 C GLY A 17 9.380 35.635 -3.311 1.00 23.30 C +ATOM 79 O GLY A 17 8.427 35.598 -4.115 1.00 30.90 O +ATOM 80 N GLN A 18 9.638 34.716 -2.389 1.00 21.76 N +ATOM 81 CA GLN A 18 8.912 33.478 -2.186 1.00 21.22 C +ATOM 82 C GLN A 18 8.110 33.483 -0.908 1.00 20.90 C +ATOM 83 O GLN A 18 8.576 34.030 0.097 1.00 26.09 O +ATOM 84 CB GLN A 18 9.919 32.303 -2.109 1.00 22.47 C +ATOM 85 CG GLN A 18 10.658 32.118 -3.424 1.00 25.84 C +ATOM 86 CD GLN A 18 11.516 30.857 -3.471 1.00 25.39 C +ATOM 87 OE1 GLN A 18 11.213 29.811 -2.874 1.00 29.29 O +ATOM 88 NE2 GLN A 18 12.628 31.013 -4.189 1.00 27.83 N +ATOM 89 N LEU A 19 6.930 32.887 -0.890 1.00 22.13 N +ATOM 90 CA LEU A 19 6.260 32.725 0.403 1.00 22.74 C +ATOM 91 C LEU A 19 6.610 31.381 1.010 1.00 21.24 C +ATOM 92 O LEU A 19 6.589 30.401 0.251 1.00 24.12 O +ATOM 93 CB LEU A 19 4.760 32.803 0.179 1.00 28.85 C +ATOM 94 CG LEU A 19 4.129 34.192 0.046 1.00 34.27 C +ATOM 95 CD1 LEU A 19 2.716 34.075 -0.520 1.00 40.07 C +ATOM 96 CD2 LEU A 19 4.065 34.922 1.380 1.00 38.34 C +ATOM 97 N LYS A 20 6.934 31.304 2.295 1.00 20.56 N +ATOM 98 CA LYS A 20 7.260 30.042 2.960 1.00 19.99 C +ATOM 99 C LYS A 20 6.582 30.027 4.341 1.00 17.78 C +ATOM 100 O LYS A 20 6.255 31.091 4.874 1.00 20.01 O +ATOM 101 CB LYS A 20 8.768 29.828 3.111 1.00 20.27 C +ATOM 102 CG LYS A 20 9.469 29.556 1.776 1.00 19.48 C +ATOM 103 CD LYS A 20 10.954 29.308 1.984 1.00 20.33 C +ATOM 104 CE LYS A 20 11.662 28.898 0.690 1.00 20.92 C +ATOM 105 NZ LYS A 20 11.054 27.670 0.099 1.00 24.92 N +ATOM 106 N GLU A 21 6.411 28.830 4.906 1.00 17.28 N +ATOM 107 CA GLU A 21 6.044 28.614 6.302 1.00 18.02 C +ATOM 108 C GLU A 21 7.303 28.457 7.154 1.00 16.29 C +ATOM 109 O GLU A 21 8.198 27.735 6.729 1.00 17.71 O +ATOM 110 CB GLU A 21 5.171 27.370 6.460 1.00 24.60 C +ATOM 111 CG GLU A 21 3.705 27.716 6.092 1.00 31.39 C +ATOM 112 CD GLU A 21 2.942 27.835 7.414 1.00 36.30 C +ATOM 113 OE1 GLU A 21 2.355 28.876 7.758 1.00 42.08 O +ATOM 114 OE2 GLU A 21 3.031 26.771 8.087 1.00 49.67 O +ATOM 115 N ALA A 22 7.388 29.110 8.308 1.00 14.95 N +ATOM 116 CA ALA A 22 8.581 28.993 9.163 1.00 13.52 C +ATOM 117 C ALA A 22 8.141 28.979 10.634 1.00 13.29 C +ATOM 118 O ALA A 22 7.093 29.562 10.963 1.00 15.37 O +ATOM 119 CB ALA A 22 9.561 30.122 8.933 1.00 14.35 C +ATOM 120 N LEU A 23 8.962 28.320 11.421 1.00 11.65 N +ATOM 121 CA LEU A 23 8.728 28.112 12.854 1.00 11.73 C +ATOM 122 C LEU A 23 9.373 29.235 13.647 1.00 12.89 C +ATOM 123 O LEU A 23 10.592 29.439 13.487 1.00 13.52 O +ATOM 124 CB LEU A 23 9.263 26.709 13.170 1.00 14.82 C +ATOM 125 CG LEU A 23 9.274 26.207 14.610 1.00 16.06 C +ATOM 126 CD1 LEU A 23 7.841 25.891 15.005 1.00 18.09 C +ATOM 127 CD2 LEU A 23 10.097 24.933 14.798 1.00 16.94 C +ATOM 128 N LEU A 24 8.673 29.974 14.494 1.00 13.77 N +ATOM 129 CA LEU A 24 9.309 30.962 15.377 1.00 14.79 C +ATOM 130 C LEU A 24 10.036 30.221 16.486 1.00 12.77 C +ATOM 131 O LEU A 24 9.372 29.577 17.313 1.00 13.93 O +ATOM 132 CB LEU A 24 8.281 31.942 15.963 1.00 14.94 C +ATOM 133 CG LEU A 24 7.470 32.670 14.843 1.00 14.67 C +ATOM 134 CD1 LEU A 24 6.413 33.449 15.596 1.00 18.18 C +ATOM 135 CD2 LEU A 24 8.350 33.543 13.978 1.00 20.88 C +ATOM 136 N ASP A 25 11.382 30.321 16.496 1.00 11.17 N +ATOM 137 CA ASP A 25 12.163 29.413 17.347 1.00 11.36 C +ATOM 138 C ASP A 25 13.078 30.142 18.301 1.00 10.81 C +ATOM 139 O ASP A 25 14.164 30.573 17.895 1.00 11.09 O +ATOM 140 CB ASP A 25 12.983 28.482 16.438 1.00 12.92 C +ATOM 141 CG ASP A 25 13.457 27.291 17.220 1.00 14.28 C +ATOM 142 OD1 ASP A 25 13.690 27.410 18.450 1.00 14.02 O +ATOM 143 OD2 ASP A 25 13.596 26.238 16.570 1.00 20.09 O +ATOM 144 N THR A 26 12.647 30.246 19.573 1.00 11.18 N +ATOM 145 CA THR A 26 13.421 31.037 20.508 1.00 11.34 C +ATOM 146 C THR A 26 14.702 30.277 20.879 1.00 10.89 C +ATOM 147 O THR A 26 15.630 30.876 21.404 1.00 12.10 O +ATOM 148 CB THR A 26 12.611 31.347 21.784 1.00 10.90 C +ATOM 149 OG1 THR A 26 12.189 30.104 22.361 1.00 11.31 O +ATOM 150 CG2 THR A 26 11.395 32.209 21.483 1.00 12.81 C +ATOM 151 N GLY A 27 14.754 28.971 20.614 1.00 10.89 N +ATOM 152 CA GLY A 27 15.961 28.200 20.893 1.00 10.70 C +ATOM 153 C GLY A 27 16.906 28.143 19.701 1.00 10.44 C +ATOM 154 O GLY A 27 17.800 27.269 19.757 1.00 14.05 O +ATOM 155 N ALA A 28 16.718 29.002 18.715 1.00 10.46 N +ATOM 156 CA ALA A 28 17.639 29.072 17.569 1.00 10.86 C +ATOM 157 C ALA A 28 18.342 30.414 17.602 1.00 9.62 C +ATOM 158 O ALA A 28 17.725 31.473 17.681 1.00 12.15 O +ATOM 159 CB ALA A 28 16.842 28.875 16.291 1.00 13.93 C +ATOM 160 N ASP A 29 19.683 30.365 17.542 1.00 10.40 N +ATOM 161 CA ASP A 29 20.460 31.600 17.395 1.00 11.15 C +ATOM 162 C ASP A 29 20.192 32.286 16.061 1.00 11.34 C +ATOM 163 O ASP A 29 20.178 33.520 15.993 1.00 13.63 O +ATOM 164 CB ASP A 29 21.965 31.270 17.471 1.00 11.17 C +ATOM 165 CG ASP A 29 22.410 30.722 18.809 1.00 11.83 C +ATOM 166 OD1 ASP A 29 21.735 30.852 19.850 1.00 14.01 O +ATOM 167 OD2 ASP A 29 23.540 30.147 18.823 1.00 14.37 O +ATOM 168 N ASP A 30 20.007 31.499 15.001 1.00 12.30 N +ATOM 169 CA ASP A 30 20.018 31.944 13.642 1.00 12.17 C +ATOM 170 C ASP A 30 18.736 31.554 12.901 1.00 10.90 C +ATOM 171 O ASP A 30 17.987 30.724 13.414 1.00 13.23 O +ATOM 172 CB ASP A 30 21.204 31.246 12.924 1.00 18.83 C +ATOM 173 CG ASP A 30 22.493 31.905 13.391 1.00 25.18 C +ATOM 174 OD1 ASP A 30 22.616 33.122 13.118 1.00 35.98 O +ATOM 175 OD2 ASP A 30 23.342 31.265 13.988 1.00 35.18 O +ATOM 176 N THR A 31 18.577 32.112 11.713 1.00 12.23 N +ATOM 177 CA THR A 31 17.422 31.862 10.847 1.00 12.30 C +ATOM 178 C THR A 31 17.898 30.881 9.790 1.00 11.77 C +ATOM 179 O THR A 31 18.911 31.154 9.119 1.00 14.23 O +ATOM 180 CB THR A 31 16.908 33.216 10.294 1.00 12.05 C +ATOM 181 OG1 THR A 31 16.300 33.899 11.411 1.00 14.76 O +ATOM 182 CG2 THR A 31 15.856 33.039 9.210 1.00 15.08 C +ATOM 183 N VAL A 32 17.250 29.742 9.644 1.00 11.79 N +ATOM 184 CA VAL A 32 17.714 28.657 8.779 1.00 12.20 C +ATOM 185 C VAL A 32 16.566 28.217 7.870 1.00 10.98 C +ATOM 186 O VAL A 32 15.495 27.834 8.352 1.00 12.65 O +ATOM 187 CB VAL A 32 18.259 27.472 9.599 1.00 12.37 C +ATOM 188 CG1 VAL A 32 19.047 26.580 8.613 1.00 14.25 C +ATOM 189 CG2 VAL A 32 19.129 27.906 10.771 1.00 14.19 C +ATOM 190 N ILE A 33 16.781 28.320 6.550 1.00 12.29 N +ATOM 191 CA ILE A 33 15.774 27.981 5.560 1.00 13.73 C +ATOM 192 C ILE A 33 16.241 26.865 4.645 1.00 12.85 C +ATOM 193 O ILE A 33 17.442 26.753 4.318 1.00 14.02 O +ATOM 194 CB ILE A 33 15.485 29.222 4.711 1.00 15.68 C +ATOM 195 CG1 ILE A 33 15.191 30.432 5.621 1.00 18.82 C +ATOM 196 CG2 ILE A 33 14.368 28.978 3.713 1.00 21.03 C +ATOM 197 CD1 ILE A 33 13.894 30.283 6.389 1.00 16.70 C +ATOM 198 N GLU A 34 15.290 26.058 4.191 1.00 13.27 N +ATOM 199 CA GLU A 34 15.523 25.014 3.228 1.00 13.64 C +ATOM 200 C GLU A 34 16.083 25.578 1.922 1.00 14.64 C +ATOM 201 O GLU A 34 15.990 26.807 1.667 1.00 15.70 O +ATOM 202 CB GLU A 34 14.176 24.303 2.974 1.00 17.57 C +ATOM 203 CG GLU A 34 13.166 25.171 2.215 1.00 22.04 C +ATOM 204 CD GLU A 34 11.742 24.658 2.251 1.00 23.77 C +ATOM 205 OE1 GLU A 34 11.538 23.431 2.446 1.00 33.51 O +ATOM 206 OE2 GLU A 34 10.796 25.479 2.078 1.00 24.45 O +ATOM 207 N GLU A 35 16.662 24.712 1.125 1.00 15.13 N +ATOM 208 CA GLU A 35 17.345 25.173 -0.094 1.00 15.42 C +ATOM 209 C GLU A 35 16.457 26.062 -0.961 1.00 15.64 C +ATOM 210 O GLU A 35 15.276 25.730 -1.257 1.00 17.76 O +ATOM 211 CB GLU A 35 17.804 23.951 -0.894 1.00 18.20 C +ATOM 212 CG GLU A 35 19.033 23.256 -0.366 1.00 20.38 C +ATOM 213 CD GLU A 35 20.291 24.099 -0.339 1.00 22.55 C +ATOM 214 OE1 GLU A 35 20.334 25.158 -1.005 1.00 25.66 O +ATOM 215 OE2 GLU A 35 21.258 23.673 0.344 1.00 24.18 O +ATOM 216 N MET A 36 17.079 27.189 -1.302 1.00 16.12 N +ATOM 217 CA MET A 36 16.477 28.195 -2.151 1.00 16.58 C +ATOM 218 C MET A 36 17.604 29.113 -2.654 1.00 16.76 C +ATOM 219 O MET A 36 18.651 29.113 -2.028 1.00 17.40 O +ATOM 220 CB MET A 36 15.428 29.027 -1.427 1.00 18.64 C +ATOM 221 CG MET A 36 16.053 29.973 -0.381 1.00 19.50 C +ATOM 222 SD MET A 36 14.774 30.994 0.361 1.00 21.92 S +ATOM 223 CE MET A 36 14.382 32.112 -0.988 1.00 25.81 C +ATOM 224 N SER A 37 17.411 29.874 -3.722 1.00 18.17 N +ATOM 225 CA SER A 37 18.434 30.844 -4.112 1.00 20.83 C +ATOM 226 C SER A 37 18.207 32.176 -3.402 1.00 20.84 C +ATOM 227 O SER A 37 17.065 32.609 -3.201 1.00 22.16 O +ATOM 228 CB SER A 37 18.511 31.081 -5.622 0.53 24.32 C +ATOM 229 OG SER A 37 17.356 30.632 -6.277 0.53 26.28 O +ATOM 230 N LEU A 38 19.316 32.810 -3.033 1.00 19.56 N +ATOM 231 CA LEU A 38 19.253 34.162 -2.501 1.00 19.68 C +ATOM 232 C LEU A 38 20.293 34.983 -3.244 1.00 21.23 C +ATOM 233 O LEU A 38 21.305 34.401 -3.669 1.00 21.29 O +ATOM 234 CB LEU A 38 19.479 34.199 -0.986 1.00 17.24 C +ATOM 235 CG LEU A 38 18.298 33.630 -0.154 1.00 17.86 C +ATOM 236 CD1 LEU A 38 18.670 33.682 1.314 1.00 16.82 C +ATOM 237 CD2 LEU A 38 16.998 34.358 -0.458 1.00 23.23 C +ATOM 238 N PRO A 39 20.081 36.289 -3.396 1.00 25.03 N +ATOM 239 CA PRO A 39 21.054 37.118 -4.127 1.00 26.40 C +ATOM 240 C PRO A 39 22.236 37.468 -3.217 1.00 26.70 C +ATOM 241 O PRO A 39 22.067 37.510 -1.986 1.00 27.86 O +ATOM 242 CB PRO A 39 20.259 38.390 -4.449 1.00 29.59 C +ATOM 243 CG PRO A 39 19.162 38.468 -3.449 1.00 29.44 C +ATOM 244 CD PRO A 39 18.974 37.093 -2.858 1.00 27.35 C +ATOM 245 N GLY A 40 23.387 37.722 -3.855 1.00 28.55 N +ATOM 246 CA GLY A 40 24.573 38.227 -3.228 1.00 27.10 C +ATOM 247 C GLY A 40 25.597 37.190 -2.829 1.00 27.73 C +ATOM 248 O GLY A 40 25.570 36.019 -3.207 1.00 27.77 O +ATOM 249 N ARG A 41 26.553 37.652 -2.020 1.00 29.02 N +ATOM 250 CA ARG A 41 27.602 36.683 -1.688 1.00 28.65 C +ATOM 251 C ARG A 41 27.169 35.835 -0.507 1.00 26.06 C +ATOM 252 O ARG A 41 26.255 36.182 0.229 1.00 24.56 O +ATOM 253 CB ARG A 41 28.917 37.374 -1.311 0.53 31.06 C +ATOM 254 CG ARG A 41 29.147 38.780 -1.814 0.53 32.42 C +ATOM 255 CD ARG A 41 30.505 39.370 -1.469 0.53 35.88 C +ATOM 256 NE ARG A 41 30.750 39.613 -0.050 0.53 37.60 N +ATOM 257 CZ ARG A 41 31.447 40.610 0.472 0.53 37.47 C +ATOM 258 NH1 ARG A 41 32.026 41.539 -0.295 0.53 40.09 N +ATOM 259 NH2 ARG A 41 31.586 40.709 1.789 0.53 34.08 N +ATOM 260 N TRP A 42 27.883 34.717 -0.379 1.00 23.26 N +ATOM 261 CA TRP A 42 27.669 33.874 0.778 1.00 19.92 C +ATOM 262 C TRP A 42 28.992 33.210 1.175 1.00 21.53 C +ATOM 263 O TRP A 42 29.974 33.149 0.402 1.00 23.52 O +ATOM 264 CB TRP A 42 26.598 32.822 0.471 1.00 19.58 C +ATOM 265 CG TRP A 42 26.997 31.973 -0.699 1.00 22.15 C +ATOM 266 CD1 TRP A 42 26.736 32.207 -2.003 1.00 24.36 C +ATOM 267 CD2 TRP A 42 27.739 30.757 -0.636 1.00 22.06 C +ATOM 268 NE1 TRP A 42 27.268 31.193 -2.780 1.00 25.63 N +ATOM 269 CE2 TRP A 42 27.894 30.292 -1.961 1.00 24.42 C +ATOM 270 CE3 TRP A 42 28.283 30.025 0.418 1.00 22.55 C +ATOM 271 CZ2 TRP A 42 28.576 29.118 -2.277 1.00 24.81 C +ATOM 272 CZ3 TRP A 42 28.956 28.861 0.103 1.00 24.21 C +ATOM 273 CH2 TRP A 42 29.095 28.423 -1.222 1.00 25.03 C +ATOM 274 N LYS A 43 28.969 32.700 2.408 1.00 19.60 N +ATOM 275 CA LYS A 43 30.119 31.911 2.846 1.00 19.78 C +ATOM 276 C LYS A 43 29.676 30.651 3.573 1.00 17.57 C +ATOM 277 O LYS A 43 28.597 30.611 4.124 1.00 18.74 O +ATOM 278 CB LYS A 43 30.998 32.764 3.732 1.00 23.10 C +ATOM 279 CG LYS A 43 30.335 33.386 4.926 1.00 23.32 C +ATOM 280 CD LYS A 43 31.352 34.295 5.616 1.00 25.51 C +ATOM 281 CE LYS A 43 30.553 35.270 6.498 1.00 27.58 C +ATOM 282 NZ LYS A 43 31.502 36.230 7.099 1.00 34.45 N +ATOM 283 N PRO A 44 30.465 29.589 3.596 1.00 18.09 N +ATOM 284 CA PRO A 44 30.036 28.387 4.302 1.00 16.33 C +ATOM 285 C PRO A 44 30.134 28.523 5.811 1.00 15.66 C +ATOM 286 O PRO A 44 30.918 29.276 6.378 1.00 16.43 O +ATOM 287 CB PRO A 44 30.996 27.330 3.758 1.00 17.31 C +ATOM 288 CG PRO A 44 32.236 28.096 3.461 1.00 19.25 C +ATOM 289 CD PRO A 44 31.753 29.423 2.875 1.00 19.01 C +ATOM 290 N LYS A 45 29.275 27.729 6.466 1.00 14.58 N +ATOM 291 CA LYS A 45 29.105 27.709 7.915 1.00 14.38 C +ATOM 292 C LYS A 45 28.639 26.354 8.407 1.00 14.07 C +ATOM 293 O LYS A 45 27.852 25.699 7.720 1.00 15.91 O +ATOM 294 CB LYS A 45 28.101 28.791 8.336 1.00 16.25 C +ATOM 295 CG LYS A 45 28.034 29.177 9.802 1.00 16.99 C +ATOM 296 CD LYS A 45 26.986 30.266 9.978 1.00 19.46 C +ATOM 297 CE LYS A 45 26.870 30.746 11.421 1.00 19.35 C +ATOM 298 NZ LYS A 45 27.946 31.699 11.765 1.00 27.97 N +ATOM 299 N MET A 46 29.107 25.969 9.601 1.00 13.35 N +ATOM 300 CA MET A 46 28.545 24.776 10.247 1.00 14.54 C +ATOM 301 C MET A 46 27.704 25.212 11.442 1.00 14.45 C +ATOM 302 O MET A 46 28.227 26.035 12.196 1.00 20.13 O +ATOM 303 CB MET A 46 29.561 23.745 10.729 0.36 15.28 C +ATOM 304 CG MET A 46 29.189 22.385 10.129 0.36 17.25 C +ATOM 305 SD MET A 46 29.594 22.365 8.353 0.36 17.60 S +ATOM 306 CE MET A 46 31.252 21.701 8.505 0.36 32.65 C +ATOM 307 N ILE A 47 26.505 24.658 11.515 1.00 14.20 N +ATOM 308 CA ILE A 47 25.655 24.991 12.675 1.00 12.04 C +ATOM 309 C ILE A 47 25.232 23.697 13.342 1.00 13.06 C +ATOM 310 O ILE A 47 25.146 22.665 12.665 1.00 14.11 O +ATOM 311 CB ILE A 47 24.449 25.851 12.237 1.00 12.47 C +ATOM 312 CG1 ILE A 47 23.506 25.095 11.295 1.00 14.32 C +ATOM 313 CG2 ILE A 47 24.916 27.191 11.623 1.00 14.87 C +ATOM 314 CD1 ILE A 47 22.240 25.848 10.836 1.00 13.73 C +ATOM 315 N GLY A 48 24.997 23.785 14.646 1.00 12.66 N +ATOM 316 CA GLY A 48 24.586 22.630 15.394 1.00 13.94 C +ATOM 317 C GLY A 48 23.140 22.693 15.790 1.00 14.58 C +ATOM 318 O GLY A 48 22.498 23.736 15.795 1.00 18.98 O +ATOM 319 N GLY A 49 22.672 21.492 16.100 1.00 16.81 N +ATOM 320 CA GLY A 49 21.296 21.295 16.537 1.00 18.90 C +ATOM 321 C GLY A 49 21.191 19.988 17.324 1.00 18.92 C +ATOM 322 O GLY A 49 22.231 19.400 17.681 1.00 17.68 O +ATOM 323 N ILE A 50 19.992 19.529 17.630 1.00 18.76 N +ATOM 324 CA ILE A 50 19.862 18.268 18.386 1.00 18.63 C +ATOM 325 C ILE A 50 20.635 17.085 17.883 0.48 17.06 C +ATOM 326 O ILE A 50 21.141 16.374 18.762 0.48 15.84 O +ATOM 327 CB ILE A 50 18.387 17.911 18.573 1.00 25.72 C +ATOM 328 CG1 ILE A 50 17.714 18.562 19.770 1.00 31.91 C +ATOM 329 CG2 ILE A 50 18.212 16.386 18.666 1.00 28.59 C +ATOM 330 CD1 ILE A 50 17.293 17.692 20.923 1.00 34.81 C +ATOM 331 N GLY A 51 20.715 16.846 16.582 0.48 14.98 N +ATOM 332 CA GLY A 51 21.345 15.607 16.106 0.48 16.12 C +ATOM 333 C GLY A 51 22.743 15.850 15.621 1.00 15.50 C +ATOM 334 O GLY A 51 23.320 14.983 14.953 1.00 21.10 O +ATOM 335 N GLY A 52 23.332 16.996 15.900 1.00 15.09 N +ATOM 336 CA GLY A 52 24.681 17.251 15.366 1.00 15.81 C +ATOM 337 C GLY A 52 24.694 18.487 14.490 1.00 14.16 C +ATOM 338 O GLY A 52 23.894 19.411 14.625 1.00 16.96 O +ATOM 339 N PHE A 53 25.611 18.497 13.538 1.00 14.13 N +ATOM 340 CA PHE A 53 25.868 19.681 12.711 1.00 13.95 C +ATOM 341 C PHE A 53 25.464 19.488 11.262 1.00 14.70 C +ATOM 342 O PHE A 53 25.452 18.348 10.748 1.00 17.73 O +ATOM 343 CB PHE A 53 27.378 20.022 12.748 1.00 13.15 C +ATOM 344 CG PHE A 53 27.834 20.616 14.075 1.00 14.58 C +ATOM 345 CD1 PHE A 53 28.123 19.791 15.160 1.00 17.99 C +ATOM 346 CD2 PHE A 53 27.966 21.985 14.196 1.00 16.12 C +ATOM 347 CE1 PHE A 53 28.526 20.387 16.354 1.00 20.95 C +ATOM 348 CE2 PHE A 53 28.356 22.593 15.388 1.00 19.18 C +ATOM 349 CZ PHE A 53 28.637 21.767 16.473 1.00 21.00 C +ATOM 350 N ILE A 54 25.134 20.605 10.647 1.00 13.42 N +ATOM 351 CA ILE A 54 24.904 20.615 9.207 1.00 13.88 C +ATOM 352 C ILE A 54 25.691 21.787 8.629 1.00 13.49 C +ATOM 353 O ILE A 54 26.015 22.766 9.284 1.00 14.65 O +ATOM 354 CB ILE A 54 23.412 20.744 8.777 1.00 14.05 C +ATOM 355 CG1 ILE A 54 22.791 22.084 9.180 1.00 15.72 C +ATOM 356 CG2 ILE A 54 22.583 19.544 9.228 1.00 16.58 C +ATOM 357 CD1 ILE A 54 21.402 22.343 8.642 1.00 16.56 C +ATOM 358 N LYS A 55 26.021 21.686 7.354 1.00 13.37 N +ATOM 359 CA LYS A 55 26.685 22.730 6.625 1.00 14.10 C +ATOM 360 C LYS A 55 25.664 23.573 5.890 1.00 13.63 C +ATOM 361 O LYS A 55 24.779 23.047 5.232 1.00 17.39 O +ATOM 362 CB LYS A 55 27.677 22.083 5.626 1.00 15.75 C +ATOM 363 CG LYS A 55 28.468 23.184 4.890 1.00 19.61 C +ATOM 364 CD LYS A 55 29.559 22.510 4.047 1.00 23.25 C +ATOM 365 CE LYS A 55 30.205 23.569 3.157 1.00 29.03 C +ATOM 366 NZ LYS A 55 30.925 22.930 2.021 1.00 36.23 N +ATOM 367 N VAL A 56 25.800 24.881 6.032 1.00 14.72 N +ATOM 368 CA VAL A 56 24.876 25.814 5.390 1.00 14.13 C +ATOM 369 C VAL A 56 25.625 26.911 4.638 1.00 14.92 C +ATOM 370 O VAL A 56 26.843 27.069 4.816 1.00 15.57 O +ATOM 371 CB VAL A 56 23.947 26.471 6.424 1.00 14.66 C +ATOM 372 CG1 VAL A 56 23.103 25.423 7.145 1.00 17.07 C +ATOM 373 CG2 VAL A 56 24.780 27.295 7.406 1.00 16.28 C +ATOM 374 N ARG A 57 24.869 27.663 3.830 1.00 13.24 N +ATOM 375 CA ARG A 57 25.399 28.858 3.194 1.00 13.78 C +ATOM 376 C ARG A 57 24.890 30.084 3.949 1.00 13.40 C +ATOM 377 O ARG A 57 23.676 30.186 4.161 1.00 14.61 O +ATOM 378 CB ARG A 57 25.003 28.938 1.727 1.00 14.60 C +ATOM 379 CG ARG A 57 25.498 27.796 0.857 1.00 17.67 C +ATOM 380 CD ARG A 57 25.237 28.063 -0.613 1.00 21.50 C +ATOM 381 NE ARG A 57 23.925 28.489 -1.020 1.00 22.35 N +ATOM 382 CZ ARG A 57 22.747 27.966 -1.258 1.00 25.09 C +ATOM 383 NH1 ARG A 57 22.579 26.654 -1.115 1.00 27.83 N +ATOM 384 NH2 ARG A 57 21.712 28.733 -1.645 1.00 28.15 N +ATOM 385 N GLN A 58 25.828 30.961 4.346 1.00 13.86 N +ATOM 386 CA GLN A 58 25.438 32.169 5.066 1.00 13.92 C +ATOM 387 C GLN A 58 25.343 33.397 4.153 1.00 13.12 C +ATOM 388 O GLN A 58 26.359 33.776 3.554 1.00 15.90 O +ATOM 389 CB GLN A 58 26.487 32.450 6.137 1.00 14.27 C +ATOM 390 CG GLN A 58 26.188 33.707 6.902 1.00 15.10 C +ATOM 391 CD GLN A 58 27.235 33.961 7.973 1.00 18.51 C +ATOM 392 OE1 GLN A 58 27.891 33.029 8.461 1.00 21.81 O +ATOM 393 NE2 GLN A 58 27.369 35.234 8.315 1.00 23.03 N +ATOM 394 N TYR A 59 24.135 33.958 4.073 1.00 12.88 N +ATOM 395 CA TYR A 59 23.866 35.180 3.310 1.00 13.71 C +ATOM 396 C TYR A 59 23.574 36.312 4.281 1.00 14.54 C +ATOM 397 O TYR A 59 22.740 36.171 5.183 1.00 15.58 O +ATOM 398 CB TYR A 59 22.672 34.999 2.383 1.00 15.47 C +ATOM 399 CG TYR A 59 22.799 33.967 1.302 1.00 16.03 C +ATOM 400 CD1 TYR A 59 22.498 32.621 1.564 1.00 15.74 C +ATOM 401 CD2 TYR A 59 23.223 34.351 0.048 1.00 16.40 C +ATOM 402 CE1 TYR A 59 22.637 31.695 0.529 1.00 17.82 C +ATOM 403 CE2 TYR A 59 23.350 33.426 -0.975 1.00 17.90 C +ATOM 404 CZ TYR A 59 23.056 32.095 -0.735 1.00 17.92 C +ATOM 405 OH TYR A 59 23.167 31.162 -1.734 1.00 22.43 O +ATOM 406 N ASP A 60 24.274 37.420 4.106 1.00 16.54 N +ATOM 407 CA ASP A 60 24.079 38.554 5.027 1.00 17.60 C +ATOM 408 C ASP A 60 23.165 39.592 4.365 1.00 19.17 C +ATOM 409 O ASP A 60 22.955 39.641 3.140 1.00 20.05 O +ATOM 410 CB ASP A 60 25.435 39.080 5.447 1.00 19.30 C +ATOM 411 CG ASP A 60 26.304 38.089 6.198 1.00 22.19 C +ATOM 412 OD1 ASP A 60 25.790 37.308 7.020 1.00 21.72 O +ATOM 413 OD2 ASP A 60 27.550 38.040 5.993 1.00 27.48 O +ATOM 414 N GLN A 61 22.563 40.425 5.208 1.00 19.37 N +ATOM 415 CA GLN A 61 21.722 41.557 4.844 1.00 20.55 C +ATOM 416 C GLN A 61 20.626 41.135 3.856 1.00 19.43 C +ATOM 417 O GLN A 61 20.482 41.657 2.746 1.00 24.73 O +ATOM 418 CB GLN A 61 22.502 42.756 4.276 1.00 27.21 C +ATOM 419 CG GLN A 61 23.330 43.510 5.321 1.00 35.10 C +ATOM 420 CD GLN A 61 24.404 44.376 4.700 1.00 40.63 C +ATOM 421 OE1 GLN A 61 24.194 45.497 4.204 1.00 49.12 O +ATOM 422 NE2 GLN A 61 25.607 43.813 4.731 1.00 48.88 N +ATOM 423 N ILE A 62 19.837 40.169 4.345 1.00 17.29 N +ATOM 424 CA ILE A 62 18.699 39.681 3.579 1.00 16.87 C +ATOM 425 C ILE A 62 17.428 40.218 4.221 1.00 17.43 C +ATOM 426 O ILE A 62 17.203 40.146 5.440 1.00 18.08 O +ATOM 427 CB ILE A 62 18.670 38.147 3.562 1.00 16.30 C +ATOM 428 CG1 ILE A 62 19.962 37.574 2.955 1.00 16.96 C +ATOM 429 CG2 ILE A 62 17.454 37.600 2.864 1.00 18.21 C +ATOM 430 CD1 ILE A 62 20.120 38.000 1.499 1.00 18.51 C +ATOM 431 N ILE A 63 16.585 40.804 3.396 1.00 19.78 N +ATOM 432 CA ILE A 63 15.334 41.351 3.879 1.00 20.74 C +ATOM 433 C ILE A 63 14.292 40.249 3.931 1.00 20.33 C +ATOM 434 O ILE A 63 14.174 39.431 3.034 1.00 23.52 O +ATOM 435 CB ILE A 63 14.842 42.517 2.984 1.00 24.87 C +ATOM 436 CG1 ILE A 63 15.794 43.721 2.999 1.00 27.57 C +ATOM 437 CG2 ILE A 63 13.444 42.892 3.399 1.00 31.46 C +ATOM 438 CD1 ILE A 63 15.809 44.523 1.710 1.00 35.96 C +ATOM 439 N ILE A 64 13.516 40.208 4.989 1.00 21.17 N +ATOM 440 CA ILE A 64 12.490 39.186 5.128 1.00 21.98 C +ATOM 441 C ILE A 64 11.244 39.859 5.683 1.00 22.71 C +ATOM 442 O ILE A 64 11.368 40.886 6.383 1.00 26.97 O +ATOM 443 CB ILE A 64 12.949 38.073 6.079 0.52 23.95 C +ATOM 444 CG1 ILE A 64 14.041 37.148 5.511 0.52 23.37 C +ATOM 445 CG2 ILE A 64 11.803 37.203 6.597 0.52 25.63 C +ATOM 446 CD1 ILE A 64 14.003 35.789 6.193 0.52 22.99 C +ATOM 447 N GLU A 65 10.077 39.309 5.378 1.00 21.96 N +ATOM 448 CA GLU A 65 8.896 39.789 6.097 1.00 23.76 C +ATOM 449 C GLU A 65 8.290 38.663 6.913 1.00 23.02 C +ATOM 450 O GLU A 65 7.985 37.612 6.350 1.00 27.90 O +ATOM 451 CB GLU A 65 7.849 40.324 5.111 1.00 27.91 C +ATOM 452 CG GLU A 65 6.812 41.098 5.945 1.00 33.85 C +ATOM 453 CD GLU A 65 5.506 41.005 5.198 1.00 36.89 C +ATOM 454 OE1 GLU A 65 4.626 40.283 5.715 1.00 49.53 O +ATOM 455 OE2 GLU A 65 5.466 41.677 4.142 1.00 47.46 O +ATOM 456 N ILE A 66 8.144 38.887 8.230 1.00 21.11 N +ATOM 457 CA ILE A 66 7.715 37.776 9.086 1.00 20.23 C +ATOM 458 C ILE A 66 6.331 38.134 9.588 1.00 21.86 C +ATOM 459 O ILE A 66 6.286 39.151 10.288 1.00 24.36 O +ATOM 460 CB ILE A 66 8.710 37.563 10.236 1.00 23.30 C +ATOM 461 CG1 ILE A 66 10.121 37.263 9.717 1.00 23.24 C +ATOM 462 CG2 ILE A 66 8.265 36.500 11.218 1.00 24.96 C +ATOM 463 CD1 ILE A 66 11.250 37.587 10.681 1.00 22.18 C +ATOM 464 N ALA A 67 5.342 37.329 9.180 1.00 21.32 N +ATOM 465 CA ALA A 67 3.963 37.607 9.589 1.00 23.98 C +ATOM 466 C ALA A 67 3.647 39.082 9.463 1.00 25.03 C +ATOM 467 O ALA A 67 3.106 39.690 10.376 1.00 26.10 O +ATOM 468 CB ALA A 67 3.733 37.146 11.024 1.00 25.77 C +ATOM 469 N GLY A 68 4.030 39.724 8.356 1.00 26.87 N +ATOM 470 CA GLY A 68 3.661 41.136 8.230 1.00 28.28 C +ATOM 471 C GLY A 68 4.742 42.117 8.586 1.00 28.35 C +ATOM 472 O GLY A 68 4.659 43.296 8.242 1.00 34.84 O +ATOM 473 N HIS A 69 5.770 41.675 9.279 1.00 28.13 N +ATOM 474 CA HIS A 69 6.757 42.552 9.898 1.00 28.46 C +ATOM 475 C HIS A 69 8.095 42.539 9.189 1.00 28.17 C +ATOM 476 O HIS A 69 8.747 41.489 9.163 1.00 27.75 O +ATOM 477 CB HIS A 69 6.967 42.067 11.344 1.00 29.67 C +ATOM 478 CG HIS A 69 5.821 42.321 12.270 1.00 32.45 C +ATOM 479 ND1 HIS A 69 4.612 41.667 12.250 1.00 33.76 N +ATOM 480 CD2 HIS A 69 5.728 43.197 13.299 1.00 32.33 C +ATOM 481 CE1 HIS A 69 3.806 42.120 13.207 1.00 33.72 C +ATOM 482 NE2 HIS A 69 4.460 43.062 13.871 1.00 32.75 N +ATOM 483 N LYS A 70 8.567 43.641 8.623 1.00 28.53 N +ATOM 484 CA LYS A 70 9.834 43.676 7.898 1.00 28.54 C +ATOM 485 C LYS A 70 11.046 43.632 8.820 1.00 27.30 C +ATOM 486 O LYS A 70 11.110 44.208 9.914 1.00 29.59 O +ATOM 487 CB LYS A 70 9.862 44.951 7.041 0.65 30.52 C +ATOM 488 CG LYS A 70 11.173 45.702 7.034 0.65 31.68 C +ATOM 489 CD LYS A 70 10.993 47.206 6.818 0.65 33.35 C +ATOM 490 CE LYS A 70 12.038 47.910 7.687 0.65 34.79 C +ATOM 491 NZ LYS A 70 13.023 46.889 8.172 0.65 32.70 N +ATOM 492 N ALA A 71 12.070 42.917 8.340 1.00 24.38 N +ATOM 493 CA ALA A 71 13.332 42.983 9.091 1.00 21.62 C +ATOM 494 C ALA A 71 14.459 42.683 8.105 1.00 20.51 C +ATOM 495 O ALA A 71 14.147 42.349 6.964 1.00 25.79 O +ATOM 496 CB ALA A 71 13.330 42.046 10.273 1.00 25.06 C +ATOM 497 N ILE A 72 15.689 42.845 8.569 1.00 17.40 N +ATOM 498 CA ILE A 72 16.862 42.534 7.754 1.00 17.51 C +ATOM 499 C ILE A 72 17.872 41.777 8.617 1.00 16.22 C +ATOM 500 O ILE A 72 18.051 42.123 9.790 1.00 16.88 O +ATOM 501 CB ILE A 72 17.528 43.774 7.163 1.00 18.08 C +ATOM 502 CG1 ILE A 72 18.735 43.468 6.259 1.00 21.32 C +ATOM 503 CG2 ILE A 72 18.000 44.757 8.234 1.00 22.75 C +ATOM 504 CD1 ILE A 72 18.948 44.524 5.170 1.00 24.02 C +ATOM 505 N GLY A 73 18.522 40.753 8.047 1.00 15.35 N +ATOM 506 CA GLY A 73 19.551 40.111 8.879 1.00 17.24 C +ATOM 507 C GLY A 73 20.150 38.982 8.063 1.00 16.12 C +ATOM 508 O GLY A 73 19.913 38.879 6.864 1.00 16.10 O +ATOM 509 N THR A 74 20.948 38.168 8.733 1.00 14.95 N +ATOM 510 CA THR A 74 21.601 37.040 8.082 1.00 14.85 C +ATOM 511 C THR A 74 20.615 35.879 7.961 1.00 14.25 C +ATOM 512 O THR A 74 19.831 35.647 8.899 1.00 15.18 O +ATOM 513 CB THR A 74 22.808 36.579 8.920 1.00 14.46 C +ATOM 514 OG1 THR A 74 23.768 37.652 8.934 1.00 17.51 O +ATOM 515 CG2 THR A 74 23.464 35.327 8.357 1.00 16.50 C +ATOM 516 N VAL A 75 20.657 35.174 6.835 1.00 13.86 N +ATOM 517 CA VAL A 75 19.835 33.993 6.627 1.00 12.61 C +ATOM 518 C VAL A 75 20.742 32.846 6.200 1.00 11.64 C +ATOM 519 O VAL A 75 21.596 33.042 5.316 1.00 14.16 O +ATOM 520 CB VAL A 75 18.736 34.227 5.581 1.00 14.33 C +ATOM 521 CG1 VAL A 75 17.983 32.943 5.222 1.00 16.22 C +ATOM 522 CG2 VAL A 75 17.759 35.270 6.151 1.00 17.91 C +ATOM 523 N LEU A 76 20.558 31.718 6.846 1.00 11.95 N +ATOM 524 CA LEU A 76 21.356 30.521 6.537 1.00 11.34 C +ATOM 525 C LEU A 76 20.514 29.601 5.685 1.00 12.93 C +ATOM 526 O LEU A 76 19.335 29.429 6.034 1.00 15.32 O +ATOM 527 CB LEU A 76 21.788 29.803 7.830 1.00 11.04 C +ATOM 528 CG LEU A 76 22.486 30.742 8.840 1.00 10.93 C +ATOM 529 CD1 LEU A 76 22.896 29.930 10.076 1.00 12.00 C +ATOM 530 CD2 LEU A 76 23.695 31.442 8.243 1.00 12.56 C +ATOM 531 N VAL A 77 21.052 29.056 4.609 1.00 13.06 N +ATOM 532 CA VAL A 77 20.335 28.176 3.711 1.00 12.63 C +ATOM 533 C VAL A 77 21.014 26.808 3.665 1.00 12.66 C +ATOM 534 O VAL A 77 22.225 26.733 3.425 1.00 15.45 O +ATOM 535 CB VAL A 77 20.287 28.757 2.278 1.00 13.07 C +ATOM 536 CG1 VAL A 77 19.495 27.818 1.376 1.00 13.34 C +ATOM 537 CG2 VAL A 77 19.681 30.163 2.315 1.00 16.73 C +ATOM 538 N GLY A 78 20.235 25.739 3.873 1.00 14.47 N +ATOM 539 CA GLY A 78 20.832 24.398 3.893 1.00 15.47 C +ATOM 540 C GLY A 78 19.781 23.360 4.295 1.00 16.55 C +ATOM 541 O GLY A 78 18.563 23.629 4.335 1.00 16.61 O +ATOM 542 N PRO A 79 20.264 22.146 4.537 1.00 15.89 N +ATOM 543 CA PRO A 79 19.355 20.985 4.710 1.00 17.38 C +ATOM 544 C PRO A 79 18.761 20.906 6.099 1.00 17.41 C +ATOM 545 O PRO A 79 18.930 19.907 6.813 1.00 22.20 O +ATOM 546 CB PRO A 79 20.294 19.794 4.448 1.00 18.87 C +ATOM 547 CG PRO A 79 21.651 20.287 4.854 1.00 18.38 C +ATOM 548 CD PRO A 79 21.678 21.771 4.507 1.00 17.12 C +ATOM 549 N THR A 80 18.057 21.957 6.501 1.00 17.21 N +ATOM 550 CA THR A 80 17.293 21.934 7.741 1.00 16.41 C +ATOM 551 C THR A 80 15.968 21.182 7.570 1.00 15.38 C +ATOM 552 O THR A 80 15.314 21.332 6.549 1.00 17.33 O +ATOM 553 CB THR A 80 17.017 23.373 8.210 1.00 15.23 C +ATOM 554 OG1 THR A 80 16.193 23.313 9.391 1.00 15.47 O +ATOM 555 CG2 THR A 80 16.284 24.251 7.192 1.00 15.10 C +ATOM 556 N PRO A 81 15.540 20.380 8.533 1.00 16.69 N +ATOM 557 CA PRO A 81 14.244 19.740 8.433 1.00 17.49 C +ATOM 558 C PRO A 81 13.040 20.662 8.627 1.00 17.88 C +ATOM 559 O PRO A 81 11.901 20.217 8.351 1.00 22.32 O +ATOM 560 CB PRO A 81 14.237 18.705 9.582 1.00 19.74 C +ATOM 561 CG PRO A 81 15.170 19.322 10.551 1.00 21.98 C +ATOM 562 CD PRO A 81 16.268 19.992 9.770 1.00 20.48 C +ATOM 563 N ALA A 82 13.229 21.874 9.105 1.00 18.75 N +ATOM 564 CA ALA A 82 12.218 22.876 9.255 1.00 18.74 C +ATOM 565 C ALA A 82 12.796 24.266 8.977 1.00 15.91 C +ATOM 566 O ALA A 82 13.862 24.627 9.444 1.00 18.37 O +ATOM 567 CB ALA A 82 11.656 22.862 10.674 1.00 26.90 C +ATOM 568 N ASN A 83 12.082 25.104 8.227 1.00 14.65 N +ATOM 569 CA ASN A 83 12.408 26.530 8.169 1.00 13.52 C +ATOM 570 C ASN A 83 12.218 27.146 9.545 1.00 12.84 C +ATOM 571 O ASN A 83 11.129 26.929 10.128 1.00 14.08 O +ATOM 572 CB ASN A 83 11.462 27.214 7.178 1.00 13.52 C +ATOM 573 CG ASN A 83 11.582 26.694 5.759 1.00 13.83 C +ATOM 574 OD1 ASN A 83 12.689 26.263 5.410 1.00 16.38 O +ATOM 575 ND2 ASN A 83 10.475 26.781 5.028 1.00 14.65 N +ATOM 576 N ILE A 84 13.230 27.883 10.022 1.00 11.81 N +ATOM 577 CA ILE A 84 13.091 28.430 11.366 1.00 11.69 C +ATOM 578 C ILE A 84 13.481 29.911 11.304 1.00 12.15 C +ATOM 579 O ILE A 84 14.441 30.279 10.617 1.00 14.45 O +ATOM 580 CB ILE A 84 13.945 27.716 12.418 1.00 14.75 C +ATOM 581 CG1 ILE A 84 15.418 27.767 12.089 1.00 17.91 C +ATOM 582 CG2 ILE A 84 13.460 26.270 12.644 1.00 19.10 C +ATOM 583 CD1 ILE A 84 16.306 26.955 13.011 1.00 19.51 C +ATOM 584 N ILE A 85 12.746 30.717 12.054 1.00 11.84 N +ATOM 585 CA ILE A 85 13.098 32.106 12.338 1.00 11.88 C +ATOM 586 C ILE A 85 13.732 32.145 13.726 1.00 9.91 C +ATOM 587 O ILE A 85 13.050 31.836 14.726 1.00 12.65 O +ATOM 588 CB ILE A 85 11.872 33.013 12.294 1.00 12.54 C +ATOM 589 CG1 ILE A 85 11.141 32.957 10.961 1.00 14.71 C +ATOM 590 CG2 ILE A 85 12.266 34.449 12.605 1.00 15.27 C +ATOM 591 CD1 ILE A 85 12.043 33.058 9.748 1.00 17.71 C +ATOM 592 N GLY A 86 15.025 32.426 13.770 1.00 10.76 N +ATOM 593 CA GLY A 86 15.729 32.394 15.060 1.00 11.07 C +ATOM 594 C GLY A 86 15.867 33.785 15.642 1.00 10.34 C +ATOM 595 O GLY A 86 15.333 34.770 15.130 1.00 11.85 O +ATOM 596 N ARG A 87 16.644 33.882 16.723 1.00 10.36 N +ATOM 597 CA ARG A 87 16.626 35.112 17.508 1.00 10.28 C +ATOM 598 C ARG A 87 17.165 36.300 16.729 1.00 11.41 C +ATOM 599 O ARG A 87 16.793 37.438 17.020 1.00 12.52 O +ATOM 600 CB ARG A 87 17.462 34.930 18.789 1.00 10.90 C +ATOM 601 CG ARG A 87 16.802 33.971 19.771 1.00 11.33 C +ATOM 602 CD ARG A 87 17.572 33.915 21.097 1.00 11.82 C +ATOM 603 NE ARG A 87 18.957 33.451 20.867 1.00 11.97 N +ATOM 604 CZ ARG A 87 20.053 34.184 20.803 1.00 11.90 C +ATOM 605 NH1 ARG A 87 20.056 35.535 20.976 1.00 13.99 N +ATOM 606 NH2 ARG A 87 21.204 33.580 20.557 1.00 14.71 N +ATOM 607 N ASN A 88 18.073 36.073 15.765 1.00 11.94 N +ATOM 608 CA ASN A 88 18.634 37.229 15.050 1.00 12.67 C +ATOM 609 C ASN A 88 17.563 38.029 14.329 1.00 12.79 C +ATOM 610 O ASN A 88 17.735 39.224 14.105 1.00 14.27 O +ATOM 611 CB ASN A 88 19.700 36.734 14.081 1.00 12.37 C +ATOM 612 CG ASN A 88 19.118 36.032 12.860 1.00 12.81 C +ATOM 613 OD1 ASN A 88 18.357 35.079 12.958 1.00 14.74 O +ATOM 614 ND2 ASN A 88 19.518 36.543 11.708 1.00 15.30 N +ATOM 615 N LEU A 89 16.436 37.400 13.970 1.00 12.31 N +ATOM 616 CA LEU A 89 15.351 38.160 13.348 1.00 12.39 C +ATOM 617 C LEU A 89 14.179 38.329 14.284 1.00 12.59 C +ATOM 618 O LEU A 89 13.423 39.299 14.179 1.00 13.54 O +ATOM 619 CB LEU A 89 14.896 37.514 12.034 1.00 13.87 C +ATOM 620 CG LEU A 89 15.991 37.625 10.944 1.00 16.29 C +ATOM 621 CD1 LEU A 89 15.607 36.769 9.755 1.00 21.23 C +ATOM 622 CD2 LEU A 89 16.218 39.072 10.540 1.00 21.88 C +ATOM 623 N LEU A 90 13.987 37.414 15.239 1.00 12.66 N +ATOM 624 CA LEU A 90 12.907 37.610 16.210 1.00 12.13 C +ATOM 625 C LEU A 90 13.107 38.897 16.986 1.00 13.14 C +ATOM 626 O LEU A 90 12.136 39.589 17.330 1.00 13.75 O +ATOM 627 CB LEU A 90 12.799 36.462 17.227 1.00 12.72 C +ATOM 628 CG LEU A 90 12.402 35.103 16.616 1.00 12.92 C +ATOM 629 CD1 LEU A 90 12.649 33.987 17.613 1.00 15.34 C +ATOM 630 CD2 LEU A 90 10.939 35.032 16.152 1.00 15.95 C +ATOM 631 N THR A 91 14.346 39.263 17.300 1.00 13.48 N +ATOM 632 CA THR A 91 14.491 40.545 18.020 1.00 12.35 C +ATOM 633 C THR A 91 13.961 41.732 17.226 1.00 12.55 C +ATOM 634 O THR A 91 13.424 42.697 17.786 1.00 13.82 O +ATOM 635 CB THR A 91 15.976 40.776 18.344 1.00 12.93 C +ATOM 636 OG1 THR A 91 16.686 40.796 17.071 1.00 13.73 O +ATOM 637 CG2 THR A 91 16.545 39.728 19.282 1.00 13.05 C +ATOM 638 N GLN A 92 14.178 41.673 15.898 1.00 12.86 N +ATOM 639 CA GLN A 92 13.911 42.822 15.038 1.00 14.04 C +ATOM 640 C GLN A 92 12.413 43.069 14.881 1.00 14.73 C +ATOM 641 O GLN A 92 12.027 44.181 14.597 1.00 16.92 O +ATOM 642 CB GLN A 92 14.508 42.610 13.638 1.00 13.41 C +ATOM 643 CG GLN A 92 16.036 42.438 13.683 1.00 13.22 C +ATOM 644 CD GLN A 92 16.749 43.649 14.258 1.00 13.40 C +ATOM 645 OE1 GLN A 92 16.934 44.656 13.557 1.00 14.72 O +ATOM 646 NE2 GLN A 92 17.186 43.590 15.528 1.00 14.43 N +ATOM 647 N ILE A 93 11.628 42.000 15.058 1.00 15.45 N +ATOM 648 CA ILE A 93 10.177 42.208 15.018 1.00 15.42 C +ATOM 649 C ILE A 93 9.592 42.410 16.402 1.00 15.65 C +ATOM 650 O ILE A 93 8.369 42.521 16.563 1.00 19.24 O +ATOM 651 CB ILE A 93 9.514 41.029 14.280 1.00 17.08 C +ATOM 652 CG1 ILE A 93 9.490 39.734 15.093 1.00 17.77 C +ATOM 653 CG2 ILE A 93 10.171 40.858 12.909 1.00 19.61 C +ATOM 654 CD1 ILE A 93 8.735 38.626 14.389 1.00 19.09 C +ATOM 655 N GLY A 94 10.457 42.523 17.413 1.00 15.46 N +ATOM 656 CA GLY A 94 10.023 42.829 18.758 1.00 15.87 C +ATOM 657 C GLY A 94 9.461 41.633 19.501 1.00 15.34 C +ATOM 658 O GLY A 94 8.688 41.841 20.449 1.00 20.45 O +ATOM 659 N ALA A 95 9.798 40.394 19.095 1.00 15.26 N +ATOM 660 CA ALA A 95 9.204 39.238 19.759 1.00 14.05 C +ATOM 661 C ALA A 95 9.764 39.002 21.152 1.00 14.77 C +ATOM 662 O ALA A 95 10.969 39.083 21.326 1.00 15.72 O +ATOM 663 CB ALA A 95 9.421 37.936 18.962 1.00 15.61 C +ATOM 664 N THR A 96 8.896 38.662 22.096 1.00 14.04 N +ATOM 665 CA THR A 96 9.273 38.340 23.456 1.00 15.14 C +ATOM 666 C THR A 96 8.507 37.092 23.901 1.00 14.51 C +ATOM 667 O THR A 96 7.431 36.743 23.411 1.00 14.06 O +ATOM 668 CB THR A 96 8.976 39.436 24.496 1.00 18.10 C +ATOM 669 OG1 THR A 96 7.584 39.781 24.466 1.00 20.46 O +ATOM 670 CG2 THR A 96 9.703 40.727 24.158 1.00 19.86 C +ATOM 671 N LEU A 97 9.129 36.413 24.854 1.00 15.73 N +ATOM 672 CA LEU A 97 8.485 35.316 25.543 1.00 15.66 C +ATOM 673 C LEU A 97 7.864 35.850 26.831 1.00 16.03 C +ATOM 674 O LEU A 97 8.559 36.570 27.565 1.00 21.43 O +ATOM 675 CB LEU A 97 9.486 34.218 25.903 1.00 19.80 C +ATOM 676 CG LEU A 97 9.525 32.945 25.112 1.00 25.29 C +ATOM 677 CD1 LEU A 97 10.451 31.950 25.824 1.00 31.96 C +ATOM 678 CD2 LEU A 97 8.169 32.308 24.885 1.00 22.91 C +ATOM 679 N ASN A 98 6.603 35.503 27.072 1.00 14.76 N +ATOM 680 CA ASN A 98 5.993 36.057 28.290 1.00 16.65 C +ATOM 681 C ASN A 98 5.305 34.982 29.119 1.00 17.83 C +ATOM 682 O ASN A 98 4.578 34.143 28.580 1.00 17.37 O +ATOM 683 CB ASN A 98 4.986 37.160 27.900 1.00 19.25 C +ATOM 684 CG ASN A 98 5.613 38.344 27.195 1.00 20.37 C +ATOM 685 OD1 ASN A 98 5.893 39.397 27.768 1.00 30.17 O +ATOM 686 ND2 ASN A 98 5.921 38.212 25.921 1.00 20.93 N +ATOM 687 N PHE A 99 5.553 34.993 30.437 1.00 19.07 N +ATOM 688 CA PHE A 99 4.831 34.092 31.332 1.00 20.66 C +ATOM 689 C PHE A 99 4.824 34.722 32.715 1.00 24.61 C +ATOM 690 O PHE A 99 4.237 34.103 33.617 1.00 29.91 O +ATOM 691 CB PHE A 99 5.414 32.681 31.319 1.00 20.24 C +ATOM 692 CG PHE A 99 6.872 32.527 31.686 1.00 22.25 C +ATOM 693 CD1 PHE A 99 7.862 32.616 30.717 1.00 24.67 C +ATOM 694 CD2 PHE A 99 7.186 32.284 33.013 1.00 23.81 C +ATOM 695 CE1 PHE A 99 9.196 32.457 31.079 1.00 26.35 C +ATOM 696 CE2 PHE A 99 8.518 32.152 33.376 1.00 26.08 C +ATOM 697 CZ PHE A 99 9.511 32.267 32.416 1.00 28.01 C +ATOM 698 OXT PHE A 99 5.422 35.830 32.822 1.00 28.22 O +TER 699 PHE A 99 +ATOM 700 N PRO B 1 7.540 36.850 33.674 1.00 33.19 N +ATOM 701 CA PRO B 1 8.460 37.825 33.117 1.00 31.41 C +ATOM 702 C PRO B 1 8.214 38.046 31.625 1.00 27.70 C +ATOM 703 O PRO B 1 7.489 37.283 31.017 1.00 28.51 O +ATOM 704 CB PRO B 1 9.820 37.140 33.264 1.00 34.99 C +ATOM 705 CG PRO B 1 9.539 35.672 33.254 1.00 36.02 C +ATOM 706 CD PRO B 1 8.115 35.481 33.693 1.00 35.76 C +ATOM 707 N GLN B 2 8.837 39.097 31.124 1.00 25.37 N +ATOM 708 CA GLN B 2 8.915 39.287 29.688 1.00 24.48 C +ATOM 709 C GLN B 2 10.361 39.120 29.239 1.00 24.05 C +ATOM 710 O GLN B 2 11.207 39.880 29.736 1.00 33.89 O +ATOM 711 CB GLN B 2 8.385 40.678 29.324 1.00 27.58 C +ATOM 712 CG GLN B 2 8.633 40.942 27.830 1.00 29.46 C +ATOM 713 CD GLN B 2 7.775 42.090 27.349 1.00 30.54 C +ATOM 714 OE1 GLN B 2 6.746 41.842 26.726 1.00 36.27 O +ATOM 715 NE2 GLN B 2 8.160 43.326 27.635 1.00 32.27 N +ATOM 716 N ILE B 3 10.648 38.162 28.372 1.00 18.28 N +ATOM 717 CA ILE B 3 12.019 37.845 28.017 1.00 17.41 C +ATOM 718 C ILE B 3 12.292 38.245 26.577 1.00 15.81 C +ATOM 719 O ILE B 3 11.639 37.731 25.663 1.00 15.97 O +ATOM 720 CB ILE B 3 12.248 36.317 28.182 1.00 18.78 C +ATOM 721 CG1 ILE B 3 11.927 35.848 29.591 1.00 20.74 C +ATOM 722 CG2 ILE B 3 13.657 35.956 27.719 1.00 22.88 C +ATOM 723 CD1 ILE B 3 11.890 34.351 29.802 1.00 27.32 C +ATOM 724 N THR B 4 13.227 39.173 26.403 1.00 16.74 N +ATOM 725 CA THR B 4 13.645 39.550 25.048 1.00 16.22 C +ATOM 726 C THR B 4 14.631 38.501 24.531 1.00 14.65 C +ATOM 727 O THR B 4 15.035 37.621 25.305 1.00 15.97 O +ATOM 728 CB THR B 4 14.223 40.977 25.042 1.00 16.68 C +ATOM 729 OG1 THR B 4 15.379 41.043 25.889 1.00 18.59 O +ATOM 730 CG2 THR B 4 13.242 41.998 25.619 1.00 22.58 C +ATOM 731 N LEU B 5 14.977 38.647 23.258 1.00 12.73 N +ATOM 732 CA LEU B 5 15.757 37.578 22.618 1.00 12.75 C +ATOM 733 C LEU B 5 17.117 37.996 22.089 1.00 11.37 C +ATOM 734 O LEU B 5 17.657 37.307 21.221 1.00 12.60 O +ATOM 735 CB LEU B 5 14.848 36.954 21.543 1.00 13.32 C +ATOM 736 CG LEU B 5 13.577 36.309 22.117 1.00 13.68 C +ATOM 737 CD1 LEU B 5 12.597 35.983 20.989 1.00 17.29 C +ATOM 738 CD2 LEU B 5 13.878 35.048 22.927 1.00 14.44 C +ATOM 739 N TRP B 6 17.653 39.092 22.616 1.00 12.15 N +ATOM 740 CA TRP B 6 18.981 39.566 22.255 1.00 12.94 C +ATOM 741 C TRP B 6 20.049 38.586 22.726 1.00 13.09 C +ATOM 742 O TRP B 6 21.096 38.515 22.085 1.00 16.04 O +ATOM 743 CB TRP B 6 19.215 40.974 22.829 1.00 13.64 C +ATOM 744 CG TRP B 6 18.119 41.914 22.398 1.00 14.24 C +ATOM 745 CD1 TRP B 6 17.017 42.282 23.129 1.00 13.51 C +ATOM 746 CD2 TRP B 6 17.999 42.596 21.131 1.00 14.71 C +ATOM 747 NE1 TRP B 6 16.230 43.154 22.415 1.00 14.33 N +ATOM 748 CE2 TRP B 6 16.811 43.352 21.194 1.00 14.62 C +ATOM 749 CE3 TRP B 6 18.815 42.606 19.997 1.00 13.53 C +ATOM 750 CZ2 TRP B 6 16.357 44.151 20.158 1.00 14.01 C +ATOM 751 CZ3 TRP B 6 18.369 43.406 18.948 1.00 14.10 C +ATOM 752 CH2 TRP B 6 17.177 44.130 19.070 1.00 14.26 C +ATOM 753 N LYS B 7 19.768 37.865 23.811 1.00 13.99 N +ATOM 754 CA LYS B 7 20.590 36.765 24.282 1.00 15.82 C +ATOM 755 C LYS B 7 19.786 35.459 24.315 1.00 12.78 C +ATOM 756 O LYS B 7 18.564 35.497 24.187 1.00 13.43 O +ATOM 757 CB LYS B 7 21.180 37.067 25.657 0.37 19.06 C +ATOM 758 CG LYS B 7 21.590 38.524 25.808 0.37 20.63 C +ATOM 759 CD LYS B 7 22.555 38.703 26.963 0.37 23.49 C +ATOM 760 CE LYS B 7 22.283 37.744 28.109 0.37 24.87 C +ATOM 761 NZ LYS B 7 23.463 37.684 29.025 0.37 28.54 N +ATOM 762 N ARG B 8 20.426 34.305 24.462 1.00 13.82 N +ATOM 763 CA ARG B 8 19.677 33.025 24.570 1.00 12.56 C +ATOM 764 C ARG B 8 18.774 33.126 25.770 1.00 12.48 C +ATOM 765 O ARG B 8 19.195 33.619 26.824 1.00 14.72 O +ATOM 766 CB ARG B 8 20.613 31.835 24.672 1.00 13.33 C +ATOM 767 CG ARG B 8 21.379 31.544 23.389 1.00 13.57 C +ATOM 768 CD ARG B 8 22.453 30.486 23.676 1.00 14.85 C +ATOM 769 NE ARG B 8 23.145 30.239 22.392 1.00 15.49 N +ATOM 770 CZ ARG B 8 24.312 29.590 22.333 1.00 18.68 C +ATOM 771 NH1 ARG B 8 24.873 29.174 23.481 1.00 22.94 N +ATOM 772 NH2 ARG B 8 24.856 29.397 21.141 1.00 19.04 N +ATOM 773 N PRO B 9 17.515 32.709 25.656 1.00 12.72 N +ATOM 774 CA PRO B 9 16.611 32.687 26.823 1.00 13.32 C +ATOM 775 C PRO B 9 16.867 31.517 27.768 1.00 12.45 C +ATOM 776 O PRO B 9 16.133 30.527 27.801 1.00 13.92 O +ATOM 777 CB PRO B 9 15.252 32.640 26.118 1.00 13.12 C +ATOM 778 CG PRO B 9 15.526 31.817 24.880 1.00 12.92 C +ATOM 779 CD PRO B 9 16.856 32.367 24.392 1.00 13.52 C +ATOM 780 N LEU B 10 17.943 31.685 28.540 1.00 13.94 N +ATOM 781 CA LEU B 10 18.365 30.712 29.513 1.00 13.43 C +ATOM 782 C LEU B 10 17.720 31.012 30.851 1.00 12.79 C +ATOM 783 O LEU B 10 17.698 32.181 31.254 1.00 17.46 O +ATOM 784 CB LEU B 10 19.896 30.673 29.724 1.00 15.34 C +ATOM 785 CG LEU B 10 20.666 30.237 28.461 1.00 18.50 C +ATOM 786 CD1 LEU B 10 22.129 30.598 28.623 1.00 23.00 C +ATOM 787 CD2 LEU B 10 20.550 28.748 28.161 1.00 23.59 C +ATOM 788 N VAL B 11 17.211 29.947 31.485 1.00 12.50 N +ATOM 789 CA VAL B 11 16.624 30.128 32.814 1.00 13.43 C +ATOM 790 C VAL B 11 17.122 29.039 33.744 1.00 12.99 C +ATOM 791 O VAL B 11 17.656 28.011 33.267 1.00 15.53 O +ATOM 792 CB VAL B 11 15.091 30.046 32.769 1.00 13.93 C +ATOM 793 CG1 VAL B 11 14.516 31.149 31.888 1.00 18.30 C +ATOM 794 CG2 VAL B 11 14.640 28.662 32.340 1.00 14.60 C +ATOM 795 N THR B 12 16.975 29.223 35.040 1.00 13.61 N +ATOM 796 CA THR B 12 17.269 28.108 35.951 1.00 13.94 C +ATOM 797 C THR B 12 16.063 27.202 36.097 1.00 12.93 C +ATOM 798 O THR B 12 14.915 27.659 36.223 1.00 15.80 O +ATOM 799 CB THR B 12 17.683 28.639 37.350 1.00 17.84 C +ATOM 800 OG1 THR B 12 18.802 29.490 37.176 1.00 24.61 O +ATOM 801 CG2 THR B 12 18.145 27.488 38.239 1.00 23.91 C +ATOM 802 N ILE B 13 16.305 25.885 36.093 1.00 13.03 N +ATOM 803 CA ILE B 13 15.293 24.869 36.319 1.00 12.54 C +ATOM 804 C ILE B 13 15.700 24.075 37.550 1.00 11.49 C +ATOM 805 O ILE B 13 16.885 24.077 37.945 1.00 14.88 O +ATOM 806 CB ILE B 13 15.080 23.921 35.115 1.00 12.79 C +ATOM 807 CG1 ILE B 13 16.292 23.067 34.775 1.00 14.94 C +ATOM 808 CG2 ILE B 13 14.659 24.712 33.881 1.00 13.63 C +ATOM 809 CD1 ILE B 13 16.007 21.940 33.812 1.00 14.99 C +ATOM 810 N LYS B 14 14.727 23.443 38.175 1.00 13.44 N +ATOM 811 CA LYS B 14 15.023 22.548 39.296 1.00 13.32 C +ATOM 812 C LYS B 14 14.355 21.204 39.012 1.00 13.05 C +ATOM 813 O LYS B 14 13.152 21.140 38.766 1.00 14.43 O +ATOM 814 CB LYS B 14 14.562 23.110 40.652 1.00 15.17 C +ATOM 815 CG LYS B 14 15.077 22.227 41.790 1.00 14.59 C +ATOM 816 CD LYS B 14 14.985 22.885 43.158 1.00 18.37 C +ATOM 817 CE LYS B 14 13.600 23.179 43.649 1.00 21.03 C +ATOM 818 NZ LYS B 14 13.656 23.586 45.121 1.00 22.56 N +ATOM 819 N ILE B 15 15.198 20.172 39.047 1.00 15.00 N +ATOM 820 CA ILE B 15 14.691 18.818 38.754 1.00 15.68 C +ATOM 821 C ILE B 15 15.486 17.887 39.654 1.00 17.92 C +ATOM 822 O ILE B 15 16.705 18.086 39.809 1.00 19.61 O +ATOM 823 CB ILE B 15 14.804 18.513 37.245 1.00 18.13 C +ATOM 824 CG1 ILE B 15 14.233 17.134 36.876 1.00 20.39 C +ATOM 825 CG2 ILE B 15 16.220 18.685 36.726 1.00 19.30 C +ATOM 826 CD1 ILE B 15 14.013 16.988 35.376 1.00 23.12 C +ATOM 827 N GLY B 16 14.873 16.925 40.316 1.00 20.44 N +ATOM 828 CA GLY B 16 15.575 15.997 41.190 1.00 24.25 C +ATOM 829 C GLY B 16 16.401 16.737 42.236 1.00 26.13 C +ATOM 830 O GLY B 16 17.495 16.297 42.617 1.00 28.49 O +ATOM 831 N LEU B 23 17.333 26.107 28.157 1.00 10.31 N +ATOM 832 CA LEU B 23 16.928 27.064 27.123 1.00 11.15 C +ATOM 833 C LEU B 23 15.435 27.009 26.844 1.00 10.78 C +ATOM 834 O LEU B 23 14.940 25.916 26.537 1.00 12.41 O +ATOM 835 CB LEU B 23 17.722 26.719 25.889 1.00 13.11 C +ATOM 836 CG LEU B 23 17.637 27.552 24.636 1.00 14.39 C +ATOM 837 CD1 LEU B 23 18.305 28.903 24.895 1.00 16.58 C +ATOM 838 CD2 LEU B 23 18.290 26.849 23.458 1.00 14.81 C +ATOM 839 N LEU B 24 14.712 28.140 26.958 1.00 10.58 N +ATOM 840 CA LEU B 24 13.289 28.108 26.570 1.00 11.47 C +ATOM 841 C LEU B 24 13.133 28.080 25.065 1.00 11.08 C +ATOM 842 O LEU B 24 13.577 29.051 24.433 1.00 13.45 O +ATOM 843 CB LEU B 24 12.645 29.364 27.137 1.00 12.94 C +ATOM 844 CG LEU B 24 12.731 29.518 28.649 1.00 12.74 C +ATOM 845 CD1 LEU B 24 11.975 30.765 29.024 1.00 17.67 C +ATOM 846 CD2 LEU B 24 12.193 28.277 29.334 1.00 18.16 C +ATOM 847 N ASP B 25 12.547 27.026 24.487 1.00 11.24 N +ATOM 848 CA ASP B 25 12.582 26.757 23.050 1.00 10.71 C +ATOM 849 C ASP B 25 11.220 26.548 22.437 1.00 9.80 C +ATOM 850 O ASP B 25 10.674 25.428 22.523 1.00 10.98 O +ATOM 851 CB ASP B 25 13.439 25.480 22.785 1.00 11.87 C +ATOM 852 CG ASP B 25 13.735 25.372 21.301 1.00 14.54 C +ATOM 853 OD1 ASP B 25 13.220 26.217 20.508 1.00 15.42 O +ATOM 854 OD2 ASP B 25 14.427 24.438 20.912 1.00 20.84 O +ATOM 855 N THR B 26 10.690 27.625 21.834 1.00 10.01 N +ATOM 856 CA THR B 26 9.381 27.501 21.213 1.00 10.49 C +ATOM 857 C THR B 26 9.398 26.585 20.008 1.00 10.67 C +ATOM 858 O THR B 26 8.310 26.173 19.593 1.00 12.99 O +ATOM 859 CB THR B 26 8.816 28.871 20.792 1.00 10.38 C +ATOM 860 OG1 THR B 26 9.816 29.534 19.976 1.00 12.14 O +ATOM 861 CG2 THR B 26 8.573 29.762 22.011 1.00 11.68 C +ATOM 862 N GLY B 27 10.568 26.274 19.450 1.00 11.79 N +ATOM 863 CA GLY B 27 10.720 25.351 18.332 1.00 10.47 C +ATOM 864 C GLY B 27 10.856 23.908 18.773 1.00 11.32 C +ATOM 865 O GLY B 27 11.109 23.051 17.902 1.00 14.35 O +ATOM 866 N ALA B 28 10.719 23.569 20.050 1.00 9.93 N +ATOM 867 CA ALA B 28 10.864 22.198 20.542 1.00 10.19 C +ATOM 868 C ALA B 28 9.480 21.732 20.993 1.00 9.00 C +ATOM 869 O ALA B 28 8.838 22.387 21.805 1.00 12.07 O +ATOM 870 CB ALA B 28 11.926 22.059 21.617 1.00 12.06 C +ATOM 871 N ASP B 29 9.045 20.568 20.482 1.00 9.72 N +ATOM 872 CA ASP B 29 7.771 20.006 20.924 1.00 10.96 C +ATOM 873 C ASP B 29 7.874 19.558 22.368 1.00 11.00 C +ATOM 874 O ASP B 29 6.917 19.656 23.158 1.00 13.61 O +ATOM 875 CB ASP B 29 7.356 18.794 20.096 1.00 13.68 C +ATOM 876 CG ASP B 29 7.039 19.089 18.640 1.00 13.86 C +ATOM 877 OD1 ASP B 29 6.903 20.262 18.218 1.00 15.19 O +ATOM 878 OD2 ASP B 29 6.974 18.045 17.936 1.00 17.87 O +ATOM 879 N ASP B 30 9.057 19.051 22.718 1.00 12.01 N +ATOM 880 CA ASP B 30 9.280 18.354 23.970 1.00 12.36 C +ATOM 881 C ASP B 30 10.400 18.970 24.806 1.00 10.32 C +ATOM 882 O ASP B 30 11.085 19.879 24.340 1.00 14.70 O +ATOM 883 CB ASP B 30 9.716 16.910 23.644 1.00 14.24 C +ATOM 884 CG ASP B 30 8.725 16.222 22.715 1.00 16.16 C +ATOM 885 OD1 ASP B 30 7.533 16.087 23.083 1.00 19.90 O +ATOM 886 OD2 ASP B 30 9.123 15.814 21.598 1.00 20.42 O +ATOM 887 N THR B 31 10.606 18.467 26.002 1.00 11.86 N +ATOM 888 CA THR B 31 11.680 18.923 26.892 1.00 10.67 C +ATOM 889 C THR B 31 12.760 17.869 26.972 1.00 11.99 C +ATOM 890 O THR B 31 12.436 16.698 27.228 1.00 13.72 O +ATOM 891 CB THR B 31 11.035 19.192 28.256 1.00 11.20 C +ATOM 892 OG1 THR B 31 10.184 20.344 28.099 1.00 13.99 O +ATOM 893 CG2 THR B 31 12.062 19.495 29.328 1.00 13.32 C +ATOM 894 N VAL B 32 14.001 18.250 26.741 1.00 11.73 N +ATOM 895 CA VAL B 32 15.094 17.320 26.628 1.00 14.20 C +ATOM 896 C VAL B 32 16.240 17.796 27.512 1.00 13.52 C +ATOM 897 O VAL B 32 16.679 18.957 27.404 1.00 13.49 O +ATOM 898 CB VAL B 32 15.578 17.175 25.145 1.00 19.20 C +ATOM 899 CG1 VAL B 32 16.497 15.955 25.016 1.00 22.84 C +ATOM 900 CG2 VAL B 32 14.375 17.137 24.193 1.00 19.61 C +ATOM 901 N ILE B 33 16.733 16.949 28.416 1.00 12.73 N +ATOM 902 CA ILE B 33 17.787 17.286 29.360 1.00 13.09 C +ATOM 903 C ILE B 33 18.945 16.303 29.221 1.00 13.56 C +ATOM 904 O ILE B 33 18.805 15.120 28.851 1.00 15.61 O +ATOM 905 CB ILE B 33 17.188 17.216 30.789 0.61 15.73 C +ATOM 906 CG1 ILE B 33 15.946 18.109 30.979 0.61 15.83 C +ATOM 907 CG2 ILE B 33 18.208 17.499 31.880 0.61 17.52 C +ATOM 908 CD1 ILE B 33 16.277 19.574 31.045 0.61 15.24 C +ATOM 909 N GLU B 34 20.130 16.823 29.539 1.00 15.07 N +ATOM 910 CA GLU B 34 21.353 16.060 29.504 1.00 19.19 C +ATOM 911 C GLU B 34 21.275 14.870 30.458 1.00 21.55 C +ATOM 912 O GLU B 34 20.457 14.954 31.374 1.00 22.66 O +ATOM 913 CB GLU B 34 22.545 16.970 29.867 1.00 20.28 C +ATOM 914 CG GLU B 34 22.718 18.088 28.852 1.00 24.05 C +ATOM 915 CD GLU B 34 23.533 19.233 29.441 1.00 27.94 C +ATOM 916 OE1 GLU B 34 23.863 19.215 30.666 1.00 33.80 O +ATOM 917 OE2 GLU B 34 23.857 20.186 28.705 1.00 38.22 O +ATOM 918 N GLU B 35 22.089 13.834 30.230 1.00 23.03 N +ATOM 919 CA GLU B 35 22.147 12.638 31.068 1.00 24.89 C +ATOM 920 C GLU B 35 22.028 12.978 32.559 1.00 24.29 C +ATOM 921 O GLU B 35 22.796 13.814 33.055 1.00 27.45 O +ATOM 922 CB GLU B 35 23.440 11.858 30.834 0.50 24.71 C +ATOM 923 CG GLU B 35 23.596 11.020 29.586 0.50 24.95 C +ATOM 924 CD GLU B 35 22.477 10.047 29.278 0.50 25.20 C +ATOM 925 OE1 GLU B 35 21.925 10.076 28.152 0.50 27.79 O +ATOM 926 OE2 GLU B 35 22.116 9.218 30.141 0.50 25.89 O +ATOM 927 N MET B 36 21.099 12.378 33.273 1.00 25.38 N +ATOM 928 CA MET B 36 20.885 12.529 34.701 1.00 25.80 C +ATOM 929 C MET B 36 20.048 11.330 35.159 1.00 26.12 C +ATOM 930 O MET B 36 19.435 10.605 34.363 1.00 26.03 O +ATOM 931 CB MET B 36 20.205 13.861 35.075 1.00 26.26 C +ATOM 932 CG MET B 36 18.692 13.874 34.856 1.00 27.92 C +ATOM 933 SD MET B 36 17.915 15.383 35.502 1.00 32.93 S +ATOM 934 CE MET B 36 17.915 15.037 37.253 1.00 31.33 C +ATOM 935 N SER B 37 19.989 11.083 36.467 1.00 28.38 N +ATOM 936 CA SER B 37 19.137 10.012 36.957 1.00 28.85 C +ATOM 937 C SER B 37 17.738 10.539 37.282 1.00 26.44 C +ATOM 938 O SER B 37 17.640 11.617 37.890 1.00 29.39 O +ATOM 939 CB SER B 37 19.738 9.409 38.228 1.00 31.78 C +ATOM 940 OG SER B 37 21.164 9.444 38.253 1.00 45.96 O +ATOM 941 N LEU B 38 16.703 9.814 36.896 1.00 23.65 N +ATOM 942 CA LEU B 38 15.336 10.177 37.230 1.00 23.03 C +ATOM 943 C LEU B 38 14.638 8.900 37.714 1.00 22.13 C +ATOM 944 O LEU B 38 15.042 7.809 37.326 1.00 21.38 O +ATOM 945 CB LEU B 38 14.582 10.788 36.063 1.00 20.74 C +ATOM 946 CG LEU B 38 14.994 12.204 35.658 1.00 19.90 C +ATOM 947 CD1 LEU B 38 14.179 12.634 34.443 1.00 17.76 C +ATOM 948 CD2 LEU B 38 14.818 13.232 36.776 1.00 21.85 C +ATOM 949 N PRO B 39 13.638 9.037 38.568 1.00 22.04 N +ATOM 950 CA PRO B 39 13.027 7.858 39.184 1.00 24.30 C +ATOM 951 C PRO B 39 12.056 7.217 38.209 1.00 23.99 C +ATOM 952 O PRO B 39 11.544 7.904 37.331 1.00 24.32 O +ATOM 953 CB PRO B 39 12.258 8.457 40.374 1.00 25.05 C +ATOM 954 CG PRO B 39 11.880 9.812 39.842 1.00 26.87 C +ATOM 955 CD PRO B 39 13.046 10.298 39.030 1.00 24.61 C +ATOM 956 N GLY B 40 11.822 5.927 38.425 1.00 23.30 N +ATOM 957 CA GLY B 40 10.767 5.232 37.751 1.00 20.34 C +ATOM 958 C GLY B 40 11.160 4.581 36.448 1.00 19.18 C +ATOM 959 O GLY B 40 12.339 4.490 36.099 1.00 20.80 O +ATOM 960 N ARG B 41 10.127 4.087 35.756 1.00 18.44 N +ATOM 961 CA ARG B 41 10.366 3.445 34.470 1.00 18.37 C +ATOM 962 C ARG B 41 10.438 4.429 33.320 1.00 17.96 C +ATOM 963 O ARG B 41 9.813 5.484 33.379 1.00 22.41 O +ATOM 964 CB ARG B 41 9.225 2.445 34.210 1.00 21.20 C +ATOM 965 CG ARG B 41 9.335 1.339 35.263 1.00 23.26 C +ATOM 966 CD ARG B 41 8.763 0.030 34.902 1.00 22.28 C +ATOM 967 NE ARG B 41 8.792 -0.430 33.526 1.00 20.01 N +ATOM 968 CZ ARG B 41 9.630 -1.426 33.155 1.00 18.29 C +ATOM 969 NH1 ARG B 41 10.431 -1.911 34.090 1.00 16.31 N +ATOM 970 NH2 ARG B 41 9.643 -1.860 31.905 1.00 16.33 N +ATOM 971 N TRP B 42 11.200 4.101 32.283 1.00 15.98 N +ATOM 972 CA TRP B 42 11.215 4.962 31.113 1.00 14.52 C +ATOM 973 C TRP B 42 10.793 4.167 29.876 1.00 14.24 C +ATOM 974 O TRP B 42 10.735 2.928 29.883 1.00 16.26 O +ATOM 975 CB TRP B 42 12.597 5.573 30.963 1.00 15.11 C +ATOM 976 CG TRP B 42 13.749 4.631 30.838 1.00 15.68 C +ATOM 977 CD1 TRP B 42 14.462 4.038 31.832 1.00 16.17 C +ATOM 978 CD2 TRP B 42 14.321 4.198 29.591 1.00 15.02 C +ATOM 979 NE1 TRP B 42 15.437 3.253 31.292 1.00 16.08 N +ATOM 980 CE2 TRP B 42 15.375 3.341 29.911 1.00 15.72 C +ATOM 981 CE3 TRP B 42 14.039 4.464 28.235 1.00 15.08 C +ATOM 982 CZ2 TRP B 42 16.147 2.744 28.924 1.00 15.92 C +ATOM 983 CZ3 TRP B 42 14.816 3.868 27.239 1.00 15.11 C +ATOM 984 CH2 TRP B 42 15.869 3.005 27.595 1.00 14.96 C +ATOM 985 N LYS B 43 10.531 4.922 28.819 1.00 16.47 N +ATOM 986 CA LYS B 43 10.121 4.344 27.544 1.00 17.25 C +ATOM 987 C LYS B 43 10.983 4.955 26.450 1.00 15.13 C +ATOM 988 O LYS B 43 11.526 6.023 26.661 1.00 16.15 O +ATOM 989 CB LYS B 43 8.645 4.600 27.259 0.70 21.23 C +ATOM 990 CG LYS B 43 7.735 4.365 28.457 0.70 23.54 C +ATOM 991 CD LYS B 43 6.353 4.932 28.271 0.70 26.36 C +ATOM 992 CE LYS B 43 6.296 6.382 27.864 0.70 30.95 C +ATOM 993 NZ LYS B 43 5.001 7.036 28.228 0.70 38.58 N +ATOM 994 N PRO B 44 11.122 4.259 25.329 1.00 15.55 N +ATOM 995 CA PRO B 44 11.988 4.725 24.267 1.00 16.41 C +ATOM 996 C PRO B 44 11.326 5.801 23.415 1.00 15.59 C +ATOM 997 O PRO B 44 10.105 5.801 23.181 1.00 17.38 O +ATOM 998 CB PRO B 44 12.144 3.453 23.421 1.00 17.78 C +ATOM 999 CG PRO B 44 10.842 2.706 23.632 1.00 17.14 C +ATOM 1000 CD PRO B 44 10.486 2.954 25.071 1.00 17.18 C +ATOM 1001 N LYS B 45 12.175 6.736 22.965 1.00 16.06 N +ATOM 1002 CA LYS B 45 11.674 7.766 22.043 1.00 17.21 C +ATOM 1003 C LYS B 45 12.862 8.187 21.196 1.00 16.06 C +ATOM 1004 O LYS B 45 14.013 8.199 21.647 1.00 17.22 O +ATOM 1005 CB LYS B 45 11.036 8.912 22.831 1.00 20.57 C +ATOM 1006 CG LYS B 45 10.312 10.011 22.055 1.00 23.83 C +ATOM 1007 CD LYS B 45 9.288 10.677 22.959 1.00 28.67 C +ATOM 1008 CE LYS B 45 8.634 11.872 22.355 1.00 33.18 C +ATOM 1009 NZ LYS B 45 7.217 11.819 21.943 1.00 36.29 N +ATOM 1010 N MET B 46 12.554 8.552 19.969 1.00 16.15 N +ATOM 1011 CA MET B 46 13.478 9.165 19.057 1.00 18.90 C +ATOM 1012 C MET B 46 13.031 10.595 18.783 1.00 17.42 C +ATOM 1013 O MET B 46 11.836 10.791 18.601 1.00 20.62 O +ATOM 1014 CB MET B 46 13.568 8.343 17.756 0.40 21.20 C +ATOM 1015 CG MET B 46 13.875 6.886 18.091 0.40 21.54 C +ATOM 1016 SD MET B 46 13.801 5.797 16.664 0.40 53.15 S +ATOM 1017 CE MET B 46 15.272 4.802 16.908 0.40 57.11 C +ATOM 1018 N ILE B 47 13.984 11.506 18.812 1.00 17.45 N +ATOM 1019 CA ILE B 47 13.724 12.925 18.551 1.00 15.56 C +ATOM 1020 C ILE B 47 14.698 13.443 17.509 1.00 15.63 C +ATOM 1021 O ILE B 47 15.848 13.058 17.444 1.00 22.37 O +ATOM 1022 CB ILE B 47 13.818 13.792 19.820 1.00 15.86 C +ATOM 1023 CG1 ILE B 47 15.184 13.802 20.528 1.00 17.98 C +ATOM 1024 CG2 ILE B 47 12.673 13.347 20.743 1.00 16.41 C +ATOM 1025 CD1 ILE B 47 15.184 14.674 21.777 1.00 19.84 C +ATOM 1026 N GLY B 48 14.146 14.310 16.676 1.00 16.44 N +ATOM 1027 CA GLY B 48 14.851 14.804 15.506 1.00 15.60 C +ATOM 1028 C GLY B 48 14.955 16.292 15.565 1.00 14.02 C +ATOM 1029 O GLY B 48 14.104 17.013 16.109 1.00 18.45 O +ATOM 1030 N GLY B 49 16.026 16.795 14.975 1.00 17.35 N +ATOM 1031 CA GLY B 49 16.131 18.221 14.715 1.00 19.69 C +ATOM 1032 C GLY B 49 17.197 18.484 13.673 1.00 16.12 C +ATOM 1033 O GLY B 49 17.475 17.697 12.813 1.00 17.09 O +ATOM 1034 N ILE B 50 17.838 19.660 13.741 1.00 17.33 N +ATOM 1035 CA ILE B 50 18.833 19.994 12.733 1.00 15.47 C +ATOM 1036 C ILE B 50 19.927 19.010 12.524 0.48 16.59 C +ATOM 1037 O ILE B 50 20.210 19.024 11.297 0.48 21.55 O +ATOM 1038 CB ILE B 50 19.374 21.437 12.901 1.00 18.31 C +ATOM 1039 CG1 ILE B 50 18.442 22.383 12.127 1.00 18.12 C +ATOM 1040 CG2 ILE B 50 20.821 21.620 12.473 1.00 19.44 C +ATOM 1041 CD1 ILE B 50 18.571 23.873 12.312 1.00 18.62 C +ATOM 1042 N GLY B 51 20.578 18.153 13.271 0.48 17.10 N +ATOM 1043 CA GLY B 51 21.636 17.416 12.525 1.00 17.80 C +ATOM 1044 C GLY B 51 21.201 15.957 12.352 1.00 18.27 C +ATOM 1045 O GLY B 51 22.087 15.134 12.070 1.00 24.58 O +ATOM 1046 N GLY B 52 19.912 15.693 12.554 1.00 17.82 N +ATOM 1047 CA GLY B 52 19.417 14.312 12.543 1.00 17.64 C +ATOM 1048 C GLY B 52 18.675 13.982 13.836 1.00 18.17 C +ATOM 1049 O GLY B 52 18.057 14.821 14.481 1.00 19.00 O +ATOM 1050 N PHE B 53 18.713 12.733 14.207 1.00 21.35 N +ATOM 1051 CA PHE B 53 17.945 12.167 15.305 1.00 23.43 C +ATOM 1052 C PHE B 53 18.861 11.655 16.407 1.00 22.34 C +ATOM 1053 O PHE B 53 20.029 11.293 16.229 1.00 23.87 O +ATOM 1054 CB PHE B 53 17.062 11.008 14.777 1.00 29.27 C +ATOM 1055 CG PHE B 53 16.193 11.482 13.609 1.00 34.87 C +ATOM 1056 CD1 PHE B 53 16.708 11.554 12.321 1.00 37.68 C +ATOM 1057 CD2 PHE B 53 14.873 11.877 13.825 1.00 35.73 C +ATOM 1058 CE1 PHE B 53 15.946 12.029 11.269 1.00 38.00 C +ATOM 1059 CE2 PHE B 53 14.099 12.340 12.773 1.00 36.34 C +ATOM 1060 CZ PHE B 53 14.642 12.419 11.501 1.00 37.79 C +ATOM 1061 N ILE B 54 18.266 11.614 17.595 1.00 22.21 N +ATOM 1062 CA ILE B 54 18.927 10.948 18.705 1.00 20.94 C +ATOM 1063 C ILE B 54 17.921 10.083 19.468 1.00 19.46 C +ATOM 1064 O ILE B 54 16.719 10.380 19.377 1.00 18.96 O +ATOM 1065 CB ILE B 54 19.587 11.892 19.724 1.00 21.87 C +ATOM 1066 CG1 ILE B 54 18.605 12.888 20.322 1.00 20.82 C +ATOM 1067 CG2 ILE B 54 20.810 12.585 19.123 1.00 26.66 C +ATOM 1068 CD1 ILE B 54 19.167 13.818 21.351 1.00 23.66 C +ATOM 1069 N LYS B 55 18.445 9.076 20.167 1.00 18.63 N +ATOM 1070 CA LYS B 55 17.641 8.251 21.070 1.00 18.70 C +ATOM 1071 C LYS B 55 17.610 8.885 22.455 1.00 15.39 C +ATOM 1072 O LYS B 55 18.639 9.373 22.884 1.00 21.29 O +ATOM 1073 CB LYS B 55 18.193 6.832 21.194 0.60 21.15 C +ATOM 1074 CG LYS B 55 18.288 6.076 19.876 0.60 23.73 C +ATOM 1075 CD LYS B 55 19.227 4.877 20.021 0.60 25.80 C +ATOM 1076 CE LYS B 55 19.744 4.436 18.666 0.60 29.08 C +ATOM 1077 NZ LYS B 55 20.430 3.113 18.691 0.60 36.70 N +ATOM 1078 N VAL B 56 16.441 8.867 23.113 1.00 15.81 N +ATOM 1079 CA VAL B 56 16.348 9.433 24.447 1.00 15.29 C +ATOM 1080 C VAL B 56 15.519 8.498 25.326 1.00 14.90 C +ATOM 1081 O VAL B 56 14.846 7.598 24.781 1.00 18.13 O +ATOM 1082 CB VAL B 56 15.726 10.843 24.384 1.00 14.65 C +ATOM 1083 CG1 VAL B 56 16.599 11.805 23.605 1.00 17.52 C +ATOM 1084 CG2 VAL B 56 14.303 10.817 23.806 1.00 18.66 C +ATOM 1085 N ARG B 57 15.549 8.756 26.628 1.00 14.48 N +ATOM 1086 CA ARG B 57 14.724 8.029 27.584 1.00 13.73 C +ATOM 1087 C ARG B 57 13.563 8.936 27.968 1.00 13.14 C +ATOM 1088 O ARG B 57 13.791 10.090 28.384 1.00 14.75 O +ATOM 1089 CB ARG B 57 15.533 7.647 28.837 1.00 14.49 C +ATOM 1090 CG ARG B 57 16.748 6.798 28.530 1.00 17.48 C +ATOM 1091 CD ARG B 57 17.422 6.115 29.695 1.00 20.16 C +ATOM 1092 NE ARG B 57 17.656 6.994 30.835 1.00 21.28 N +ATOM 1093 CZ ARG B 57 18.696 7.778 31.056 1.00 22.14 C +ATOM 1094 NH1 ARG B 57 19.684 7.853 30.175 1.00 28.87 N +ATOM 1095 NH2 ARG B 57 18.746 8.505 32.157 1.00 28.58 N +ATOM 1096 N GLN B 58 12.324 8.462 27.827 1.00 12.41 N +ATOM 1097 CA GLN B 58 11.166 9.246 28.206 1.00 12.63 C +ATOM 1098 C GLN B 58 10.663 8.904 29.600 1.00 12.86 C +ATOM 1099 O GLN B 58 10.289 7.752 29.838 1.00 14.83 O +ATOM 1100 CB GLN B 58 10.047 8.998 27.192 1.00 13.12 C +ATOM 1101 CG GLN B 58 8.764 9.756 27.580 1.00 14.12 C +ATOM 1102 CD GLN B 58 7.645 9.456 26.603 1.00 16.44 C +ATOM 1103 OE1 GLN B 58 7.897 9.161 25.434 1.00 23.96 O +ATOM 1104 NE2 GLN B 58 6.398 9.580 27.066 1.00 22.90 N +ATOM 1105 N TYR B 59 10.671 9.884 30.494 1.00 12.89 N +ATOM 1106 CA TYR B 59 10.143 9.783 31.844 1.00 12.85 C +ATOM 1107 C TYR B 59 8.877 10.646 31.932 1.00 12.99 C +ATOM 1108 O TYR B 59 8.861 11.815 31.552 1.00 14.03 O +ATOM 1109 CB TYR B 59 11.155 10.226 32.888 1.00 13.15 C +ATOM 1110 CG TYR B 59 12.417 9.406 32.941 1.00 15.27 C +ATOM 1111 CD1 TYR B 59 13.482 9.656 32.069 1.00 14.90 C +ATOM 1112 CD2 TYR B 59 12.536 8.388 33.885 1.00 15.78 C +ATOM 1113 CE1 TYR B 59 14.645 8.897 32.135 1.00 16.71 C +ATOM 1114 CE2 TYR B 59 13.680 7.639 33.941 1.00 17.03 C +ATOM 1115 CZ TYR B 59 14.727 7.878 33.076 1.00 16.47 C +ATOM 1116 OH TYR B 59 15.865 7.104 33.174 1.00 19.89 O +ATOM 1117 N ASP B 60 7.785 10.089 32.438 1.00 15.49 N +ATOM 1118 CA ASP B 60 6.530 10.830 32.551 1.00 16.85 C +ATOM 1119 C ASP B 60 6.277 11.336 33.976 1.00 16.87 C +ATOM 1120 O ASP B 60 6.795 10.776 34.952 1.00 18.18 O +ATOM 1121 CB ASP B 60 5.382 9.907 32.122 1.00 19.01 C +ATOM 1122 CG ASP B 60 5.511 9.617 30.637 1.00 20.07 C +ATOM 1123 OD1 ASP B 60 5.812 10.515 29.820 1.00 22.29 O +ATOM 1124 OD2 ASP B 60 5.300 8.439 30.272 1.00 27.87 O +ATOM 1125 N GLN B 61 5.485 12.386 34.101 1.00 15.28 N +ATOM 1126 CA GLN B 61 5.018 12.914 35.380 1.00 15.97 C +ATOM 1127 C GLN B 61 6.175 13.222 36.329 1.00 15.82 C +ATOM 1128 O GLN B 61 6.129 12.898 37.523 1.00 18.18 O +ATOM 1129 CB GLN B 61 4.016 11.924 35.959 1.00 18.02 C +ATOM 1130 CG GLN B 61 2.863 12.480 36.794 1.00 19.80 C +ATOM 1131 CD GLN B 61 1.785 11.460 37.069 1.00 19.51 C +ATOM 1132 OE1 GLN B 61 1.612 10.482 36.318 1.00 25.06 O +ATOM 1133 NE2 GLN B 61 1.023 11.573 38.153 1.00 17.67 N +ATOM 1134 N ILE B 62 7.187 13.918 35.784 1.00 12.44 N +ATOM 1135 CA ILE B 62 8.339 14.404 36.541 1.00 12.62 C +ATOM 1136 C ILE B 62 8.074 15.823 37.021 1.00 12.35 C +ATOM 1137 O ILE B 62 7.655 16.700 36.273 1.00 14.16 O +ATOM 1138 CB ILE B 62 9.590 14.353 35.641 1.00 13.47 C +ATOM 1139 CG1 ILE B 62 9.865 12.925 35.120 1.00 14.11 C +ATOM 1140 CG2 ILE B 62 10.795 14.969 36.331 1.00 15.57 C +ATOM 1141 CD1 ILE B 62 10.156 11.955 36.289 1.00 20.76 C +ATOM 1142 N ILE B 63 8.322 16.057 38.316 1.00 15.40 N +ATOM 1143 CA ILE B 63 8.213 17.365 38.938 1.00 15.85 C +ATOM 1144 C ILE B 63 9.396 18.218 38.499 1.00 13.57 C +ATOM 1145 O ILE B 63 10.544 17.824 38.622 1.00 16.26 O +ATOM 1146 CB ILE B 63 8.179 17.227 40.466 1.00 20.64 C +ATOM 1147 CG1 ILE B 63 6.895 16.510 40.929 1.00 24.32 C +ATOM 1148 CG2 ILE B 63 8.319 18.585 41.124 1.00 24.62 C +ATOM 1149 CD1 ILE B 63 7.071 15.764 42.232 1.00 30.20 C +ATOM 1150 N ILE B 64 9.116 19.392 37.942 1.00 13.38 N +ATOM 1151 CA ILE B 64 10.194 20.245 37.459 1.00 12.67 C +ATOM 1152 C ILE B 64 9.775 21.686 37.693 1.00 14.43 C +ATOM 1153 O ILE B 64 8.613 22.023 37.519 1.00 20.39 O +ATOM 1154 CB ILE B 64 10.568 19.979 35.994 1.00 15.23 C +ATOM 1155 CG1 ILE B 64 11.587 20.948 35.369 1.00 15.34 C +ATOM 1156 CG2 ILE B 64 9.370 19.894 35.043 1.00 21.06 C +ATOM 1157 CD1 ILE B 64 12.075 20.464 33.985 1.00 15.91 C +ATOM 1158 N GLU B 65 10.716 22.521 38.101 1.00 13.78 N +ATOM 1159 CA GLU B 65 10.450 23.952 38.270 1.00 15.25 C +ATOM 1160 C GLU B 65 11.158 24.697 37.144 1.00 14.87 C +ATOM 1161 O GLU B 65 12.324 24.417 36.855 1.00 16.19 O +ATOM 1162 CB GLU B 65 10.896 24.406 39.662 1.00 21.06 C +ATOM 1163 CG GLU B 65 10.603 25.797 40.137 1.00 29.40 C +ATOM 1164 CD GLU B 65 11.105 25.951 41.586 1.00 33.80 C +ATOM 1165 OE1 GLU B 65 12.164 26.560 41.846 1.00 37.47 O +ATOM 1166 OE2 GLU B 65 10.411 25.455 42.515 1.00 41.51 O +ATOM 1167 N ILE B 66 10.487 25.650 36.500 1.00 14.98 N +ATOM 1168 CA ILE B 66 11.079 26.402 35.402 1.00 13.22 C +ATOM 1169 C ILE B 66 11.027 27.886 35.733 1.00 12.59 C +ATOM 1170 O ILE B 66 9.915 28.403 35.782 1.00 15.25 O +ATOM 1171 CB ILE B 66 10.349 26.138 34.074 1.00 14.63 C +ATOM 1172 CG1 ILE B 66 10.384 24.637 33.718 1.00 17.54 C +ATOM 1173 CG2 ILE B 66 10.970 26.995 32.996 1.00 15.15 C +ATOM 1174 CD1 ILE B 66 9.251 24.129 32.900 1.00 19.47 C +ATOM 1175 N ALA B 67 12.186 28.495 35.949 1.00 14.35 N +ATOM 1176 CA ALA B 67 12.214 29.906 36.370 1.00 15.11 C +ATOM 1177 C ALA B 67 11.257 30.121 37.533 1.00 16.04 C +ATOM 1178 O ALA B 67 10.563 31.145 37.572 1.00 21.95 O +ATOM 1179 CB ALA B 67 11.886 30.844 35.219 1.00 17.52 C +ATOM 1180 N GLY B 68 11.199 29.151 38.446 1.00 16.94 N +ATOM 1181 CA GLY B 68 10.306 29.386 39.583 1.00 18.52 C +ATOM 1182 C GLY B 68 8.871 28.940 39.388 1.00 18.22 C +ATOM 1183 O GLY B 68 8.081 28.943 40.340 1.00 29.00 O +ATOM 1184 N HIS B 69 8.461 28.542 38.197 1.00 16.65 N +ATOM 1185 CA HIS B 69 7.082 28.082 38.027 1.00 16.15 C +ATOM 1186 C HIS B 69 7.015 26.570 38.049 1.00 16.74 C +ATOM 1187 O HIS B 69 7.799 25.887 37.372 1.00 15.92 O +ATOM 1188 CB HIS B 69 6.529 28.508 36.654 1.00 17.55 C +ATOM 1189 CG HIS B 69 6.316 29.988 36.584 1.00 21.27 C +ATOM 1190 ND1 HIS B 69 7.291 30.950 36.703 1.00 23.96 N +ATOM 1191 CD2 HIS B 69 5.152 30.655 36.381 1.00 21.07 C +ATOM 1192 CE1 HIS B 69 6.754 32.152 36.599 1.00 23.55 C +ATOM 1193 NE2 HIS B 69 5.445 31.995 36.401 1.00 24.26 N +ATOM 1194 N LYS B 70 6.089 26.040 38.820 1.00 19.86 N +ATOM 1195 CA LYS B 70 5.911 24.595 38.969 1.00 21.99 C +ATOM 1196 C LYS B 70 5.219 23.949 37.777 1.00 20.04 C +ATOM 1197 O LYS B 70 4.195 24.416 37.256 1.00 25.09 O +ATOM 1198 CB LYS B 70 5.104 24.391 40.262 1.00 29.50 C +ATOM 1199 CG LYS B 70 5.588 23.251 41.153 1.00 35.92 C +ATOM 1200 CD LYS B 70 6.488 22.239 40.431 1.00 38.04 C +ATOM 1201 CE LYS B 70 5.963 20.824 40.581 1.00 39.78 C +ATOM 1202 NZ LYS B 70 5.430 20.583 41.957 1.00 47.49 N +ATOM 1203 N ALA B 71 5.774 22.830 37.315 1.00 16.97 N +ATOM 1204 CA ALA B 71 5.248 21.960 36.267 1.00 14.64 C +ATOM 1205 C ALA B 71 5.446 20.477 36.667 1.00 13.32 C +ATOM 1206 O ALA B 71 6.298 20.174 37.517 1.00 15.45 O +ATOM 1207 CB ALA B 71 5.900 22.217 34.928 1.00 16.30 C +ATOM 1208 N ILE B 72 4.616 19.656 36.041 1.00 13.71 N +ATOM 1209 CA ILE B 72 4.716 18.211 36.214 1.00 14.10 C +ATOM 1210 C ILE B 72 4.437 17.560 34.880 1.00 13.32 C +ATOM 1211 O ILE B 72 3.296 17.682 34.427 1.00 15.42 O +ATOM 1212 CB ILE B 72 3.801 17.598 37.306 1.00 12.55 C +ATOM 1213 CG1 ILE B 72 3.911 18.299 38.659 1.00 13.46 C +ATOM 1214 CG2 ILE B 72 4.111 16.127 37.445 1.00 13.71 C +ATOM 1215 CD1 ILE B 72 2.904 17.758 39.663 1.00 15.29 C +ATOM 1216 N GLY B 73 5.467 16.951 34.289 1.00 13.02 N +ATOM 1217 CA GLY B 73 5.196 16.490 32.931 1.00 13.83 C +ATOM 1218 C GLY B 73 6.320 15.606 32.410 1.00 13.07 C +ATOM 1219 O GLY B 73 7.163 15.139 33.196 1.00 13.03 O +ATOM 1220 N THR B 74 6.363 15.363 31.111 1.00 13.22 N +ATOM 1221 CA THR B 74 7.280 14.445 30.501 1.00 12.54 C +ATOM 1222 C THR B 74 8.639 15.121 30.264 1.00 12.62 C +ATOM 1223 O THR B 74 8.690 16.247 29.729 1.00 12.49 O +ATOM 1224 CB THR B 74 6.701 13.909 29.182 1.00 13.71 C +ATOM 1225 OG1 THR B 74 5.518 13.157 29.496 1.00 17.60 O +ATOM 1226 CG2 THR B 74 7.651 12.933 28.497 1.00 14.08 C +ATOM 1227 N VAL B 75 9.688 14.445 30.677 1.00 11.56 N +ATOM 1228 CA VAL B 75 11.051 14.897 30.466 1.00 12.03 C +ATOM 1229 C VAL B 75 11.815 13.841 29.685 1.00 11.91 C +ATOM 1230 O VAL B 75 11.736 12.666 30.089 1.00 14.97 O +ATOM 1231 CB VAL B 75 11.769 15.214 31.792 1.00 14.43 C +ATOM 1232 CG1 VAL B 75 13.244 15.482 31.538 1.00 17.52 C +ATOM 1233 CG2 VAL B 75 11.116 16.420 32.454 1.00 15.37 C +ATOM 1234 N LEU B 76 12.473 14.165 28.595 1.00 12.76 N +ATOM 1235 CA LEU B 76 13.306 13.275 27.827 1.00 12.16 C +ATOM 1236 C LEU B 76 14.756 13.454 28.266 1.00 13.09 C +ATOM 1237 O LEU B 76 15.179 14.587 28.505 1.00 17.91 O +ATOM 1238 CB LEU B 76 13.163 13.563 26.317 1.00 12.89 C +ATOM 1239 CG LEU B 76 11.714 13.607 25.786 1.00 12.13 C +ATOM 1240 CD1 LEU B 76 11.675 13.898 24.307 1.00 14.22 C +ATOM 1241 CD2 LEU B 76 10.958 12.314 26.119 1.00 12.26 C +ATOM 1242 N VAL B 77 15.504 12.372 28.406 1.00 12.89 N +ATOM 1243 CA VAL B 77 16.893 12.417 28.833 1.00 12.30 C +ATOM 1244 C VAL B 77 17.732 11.747 27.763 1.00 13.87 C +ATOM 1245 O VAL B 77 17.481 10.607 27.351 1.00 16.12 O +ATOM 1246 CB VAL B 77 17.119 11.680 30.194 1.00 14.80 C +ATOM 1247 CG1 VAL B 77 18.591 11.722 30.593 1.00 16.36 C +ATOM 1248 CG2 VAL B 77 16.203 12.301 31.265 1.00 17.35 C +ATOM 1249 N GLY B 78 18.780 12.466 27.330 1.00 16.26 N +ATOM 1250 CA GLY B 78 19.708 11.839 26.408 1.00 19.29 C +ATOM 1251 C GLY B 78 20.790 12.791 25.958 1.00 19.10 C +ATOM 1252 O GLY B 78 21.018 13.875 26.545 1.00 19.53 O +ATOM 1253 N PRO B 79 21.504 12.381 24.921 1.00 21.26 N +ATOM 1254 CA PRO B 79 22.667 13.163 24.492 1.00 20.80 C +ATOM 1255 C PRO B 79 22.333 14.405 23.698 1.00 19.43 C +ATOM 1256 O PRO B 79 22.890 14.609 22.623 1.00 23.49 O +ATOM 1257 CB PRO B 79 23.405 12.163 23.599 1.00 22.39 C +ATOM 1258 CG PRO B 79 22.341 11.258 23.043 1.00 22.04 C +ATOM 1259 CD PRO B 79 21.314 11.164 24.110 1.00 21.55 C +ATOM 1260 N THR B 80 21.497 15.273 24.249 1.00 19.10 N +ATOM 1261 CA THR B 80 21.259 16.584 23.656 1.00 17.95 C +ATOM 1262 C THR B 80 22.445 17.517 23.877 1.00 15.74 C +ATOM 1263 O THR B 80 23.121 17.492 24.910 1.00 15.82 O +ATOM 1264 CB THR B 80 19.992 17.216 24.287 1.00 15.84 C +ATOM 1265 OG1 THR B 80 19.838 18.546 23.787 1.00 15.72 O +ATOM 1266 CG2 THR B 80 20.096 17.377 25.792 1.00 17.11 C +ATOM 1267 N PRO B 81 22.772 18.383 22.934 1.00 17.93 N +ATOM 1268 CA PRO B 81 23.836 19.386 23.130 1.00 17.81 C +ATOM 1269 C PRO B 81 23.480 20.435 24.164 1.00 17.25 C +ATOM 1270 O PRO B 81 24.334 21.172 24.639 1.00 21.32 O +ATOM 1271 CB PRO B 81 23.921 20.096 21.755 1.00 21.06 C +ATOM 1272 CG PRO B 81 23.364 19.061 20.804 1.00 22.81 C +ATOM 1273 CD PRO B 81 22.204 18.453 21.567 1.00 20.51 C +ATOM 1274 N ALA B 82 22.195 20.532 24.515 1.00 16.43 N +ATOM 1275 CA ALA B 82 21.783 21.555 25.474 1.00 15.41 C +ATOM 1276 C ALA B 82 20.486 21.183 26.192 1.00 14.43 C +ATOM 1277 O ALA B 82 19.663 20.528 25.552 1.00 16.06 O +ATOM 1278 CB ALA B 82 21.527 22.876 24.769 1.00 17.95 C +ATOM 1279 N ASN B 83 20.314 21.617 27.440 1.00 13.33 N +ATOM 1280 CA ASN B 83 19.018 21.425 28.094 1.00 11.47 C +ATOM 1281 C ASN B 83 17.946 22.307 27.472 1.00 12.49 C +ATOM 1282 O ASN B 83 18.205 23.533 27.369 1.00 12.49 O +ATOM 1283 CB ASN B 83 19.128 21.756 29.581 1.00 13.02 C +ATOM 1284 CG ASN B 83 20.045 20.800 30.322 1.00 13.58 C +ATOM 1285 OD1 ASN B 83 20.190 19.634 29.955 1.00 17.17 O +ATOM 1286 ND2 ASN B 83 20.647 21.329 31.366 1.00 15.50 N +ATOM 1287 N ILE B 84 16.821 21.745 27.053 1.00 10.42 N +ATOM 1288 CA ILE B 84 15.808 22.502 26.313 1.00 10.85 C +ATOM 1289 C ILE B 84 14.462 22.319 26.952 1.00 10.55 C +ATOM 1290 O ILE B 84 14.078 21.178 27.230 1.00 12.83 O +ATOM 1291 CB ILE B 84 15.744 22.004 24.833 1.00 16.53 C +ATOM 1292 CG1 ILE B 84 17.047 22.433 24.089 1.00 18.59 C +ATOM 1293 CG2 ILE B 84 14.521 22.412 24.074 1.00 21.32 C +ATOM 1294 CD1 ILE B 84 17.299 21.509 22.909 1.00 22.11 C +ATOM 1295 N ILE B 85 13.776 23.436 27.203 1.00 10.91 N +ATOM 1296 CA ILE B 85 12.384 23.357 27.700 1.00 9.74 C +ATOM 1297 C ILE B 85 11.468 23.610 26.531 1.00 9.97 C +ATOM 1298 O ILE B 85 11.536 24.724 25.943 1.00 11.70 O +ATOM 1299 CB ILE B 85 12.194 24.384 28.826 1.00 11.16 C +ATOM 1300 CG1 ILE B 85 13.217 24.301 29.983 1.00 12.08 C +ATOM 1301 CG2 ILE B 85 10.751 24.343 29.333 1.00 11.74 C +ATOM 1302 CD1 ILE B 85 13.325 22.892 30.582 1.00 14.73 C +ATOM 1303 N GLY B 86 10.686 22.596 26.142 1.00 9.56 N +ATOM 1304 CA GLY B 86 9.874 22.699 24.948 1.00 10.84 C +ATOM 1305 C GLY B 86 8.413 22.991 25.256 1.00 9.82 C +ATOM 1306 O GLY B 86 8.053 23.257 26.422 1.00 11.23 O +ATOM 1307 N ARG B 87 7.594 22.963 24.206 1.00 9.88 N +ATOM 1308 CA ARG B 87 6.220 23.438 24.351 1.00 10.25 C +ATOM 1309 C ARG B 87 5.426 22.620 25.356 1.00 10.46 C +ATOM 1310 O ARG B 87 4.503 23.228 25.954 1.00 12.69 O +ATOM 1311 CB ARG B 87 5.461 23.493 23.009 1.00 11.69 C +ATOM 1312 CG ARG B 87 6.084 24.506 22.027 1.00 11.36 C +ATOM 1313 CD ARG B 87 5.256 24.644 20.733 1.00 12.14 C +ATOM 1314 NE ARG B 87 5.365 23.403 19.954 1.00 12.70 N +ATOM 1315 CZ ARG B 87 4.406 22.479 19.970 1.00 13.02 C +ATOM 1316 NH1 ARG B 87 3.261 22.674 20.668 1.00 14.76 N +ATOM 1317 NH2 ARG B 87 4.512 21.333 19.278 1.00 15.84 N +ATOM 1318 N ASN B 88 5.757 21.345 25.590 1.00 10.70 N +ATOM 1319 CA ASN B 88 4.950 20.591 26.576 1.00 11.60 C +ATOM 1320 C ASN B 88 4.976 21.258 27.942 1.00 12.54 C +ATOM 1321 O ASN B 88 3.975 21.275 28.681 1.00 14.21 O +ATOM 1322 CB ASN B 88 5.467 19.152 26.592 1.00 13.18 C +ATOM 1323 CG ASN B 88 6.808 18.963 27.277 1.00 12.37 C +ATOM 1324 OD1 ASN B 88 7.754 19.654 26.850 1.00 13.30 O +ATOM 1325 ND2 ASN B 88 6.879 18.063 28.260 1.00 13.28 N +ATOM 1326 N LEU B 89 6.151 21.809 28.318 1.00 11.38 N +ATOM 1327 CA LEU B 89 6.224 22.500 29.606 1.00 11.53 C +ATOM 1328 C LEU B 89 6.045 24.009 29.489 1.00 11.66 C +ATOM 1329 O LEU B 89 5.565 24.607 30.442 1.00 13.46 O +ATOM 1330 CB LEU B 89 7.576 22.162 30.286 1.00 13.46 C +ATOM 1331 CG LEU B 89 7.778 20.683 30.625 1.00 13.75 C +ATOM 1332 CD1 LEU B 89 9.081 20.511 31.417 1.00 16.43 C +ATOM 1333 CD2 LEU B 89 6.584 20.044 31.309 1.00 19.66 C +ATOM 1334 N LEU B 90 6.376 24.644 28.366 1.00 11.50 N +ATOM 1335 CA LEU B 90 6.092 26.065 28.225 1.00 11.47 C +ATOM 1336 C LEU B 90 4.595 26.325 28.334 1.00 12.95 C +ATOM 1337 O LEU B 90 4.197 27.346 28.875 1.00 13.74 O +ATOM 1338 CB LEU B 90 6.602 26.573 26.876 1.00 11.93 C +ATOM 1339 CG LEU B 90 8.130 26.560 26.704 1.00 12.22 C +ATOM 1340 CD1 LEU B 90 8.491 26.908 25.255 1.00 13.84 C +ATOM 1341 CD2 LEU B 90 8.809 27.484 27.681 1.00 15.19 C +ATOM 1342 N THR B 91 3.741 25.440 27.798 1.00 12.58 N +ATOM 1343 CA THR B 91 2.299 25.642 27.943 1.00 13.36 C +ATOM 1344 C THR B 91 1.899 25.464 29.419 1.00 14.34 C +ATOM 1345 O THR B 91 1.010 26.175 29.888 1.00 17.85 O +ATOM 1346 CB THR B 91 1.459 24.664 27.115 1.00 14.17 C +ATOM 1347 OG1 THR B 91 1.896 23.307 27.394 1.00 16.73 O +ATOM 1348 CG2 THR B 91 1.568 24.908 25.631 1.00 12.88 C +ATOM 1349 N GLN B 92 2.480 24.558 30.170 1.00 14.41 N +ATOM 1350 CA GLN B 92 2.160 24.399 31.610 1.00 16.76 C +ATOM 1351 C GLN B 92 2.492 25.655 32.419 1.00 17.64 C +ATOM 1352 O GLN B 92 1.818 25.918 33.411 1.00 25.98 O +ATOM 1353 CB GLN B 92 2.890 23.215 32.248 1.00 15.58 C +ATOM 1354 CG GLN B 92 2.207 21.898 31.911 1.00 15.97 C +ATOM 1355 CD GLN B 92 2.625 20.766 32.808 1.00 15.21 C +ATOM 1356 OE1 GLN B 92 2.927 20.965 33.997 1.00 16.56 O +ATOM 1357 NE2 GLN B 92 2.644 19.540 32.278 1.00 15.61 N +ATOM 1358 N ILE B 93 3.519 26.427 32.038 1.00 16.83 N +ATOM 1359 CA ILE B 93 3.820 27.640 32.801 1.00 16.77 C +ATOM 1360 C ILE B 93 3.198 28.893 32.190 1.00 17.85 C +ATOM 1361 O ILE B 93 3.476 30.014 32.625 1.00 22.21 O +ATOM 1362 CB ILE B 93 5.333 27.764 32.938 1.00 18.57 C +ATOM 1363 CG1 ILE B 93 6.022 28.088 31.601 1.00 18.21 C +ATOM 1364 CG2 ILE B 93 5.984 26.529 33.535 1.00 20.43 C +ATOM 1365 CD1 ILE B 93 7.508 28.363 31.773 1.00 18.49 C +ATOM 1366 N GLY B 94 2.320 28.710 31.203 1.00 17.73 N +ATOM 1367 CA GLY B 94 1.521 29.751 30.587 1.00 17.50 C +ATOM 1368 C GLY B 94 2.300 30.679 29.677 1.00 14.87 C +ATOM 1369 O GLY B 94 1.920 31.847 29.538 1.00 20.22 O +ATOM 1370 N ALA B 95 3.358 30.182 29.041 1.00 15.50 N +ATOM 1371 CA ALA B 95 4.174 31.041 28.186 1.00 15.09 C +ATOM 1372 C ALA B 95 3.554 31.270 26.815 1.00 14.01 C +ATOM 1373 O ALA B 95 3.005 30.342 26.242 1.00 15.73 O +ATOM 1374 CB ALA B 95 5.566 30.402 27.979 1.00 13.76 C +ATOM 1375 N THR B 96 3.736 32.495 26.312 1.00 14.84 N +ATOM 1376 CA THR B 96 3.276 32.877 24.994 1.00 15.69 C +ATOM 1377 C THR B 96 4.386 33.653 24.302 1.00 14.06 C +ATOM 1378 O THR B 96 5.246 34.236 24.987 1.00 16.95 O +ATOM 1379 CB THR B 96 1.991 33.753 24.995 1.00 15.34 C +ATOM 1380 OG1 THR B 96 2.161 34.914 25.808 1.00 18.05 O +ATOM 1381 CG2 THR B 96 0.816 32.973 25.547 1.00 19.38 C +ATOM 1382 N LEU B 97 4.332 33.638 22.985 1.00 14.53 N +ATOM 1383 CA LEU B 97 5.136 34.547 22.160 1.00 15.23 C +ATOM 1384 C LEU B 97 4.340 35.787 21.804 1.00 16.87 C +ATOM 1385 O LEU B 97 3.154 35.686 21.479 1.00 20.01 O +ATOM 1386 CB LEU B 97 5.547 33.826 20.889 1.00 18.06 C +ATOM 1387 CG LEU B 97 6.842 33.049 20.840 1.00 21.74 C +ATOM 1388 CD1 LEU B 97 6.932 32.302 19.513 1.00 25.21 C +ATOM 1389 CD2 LEU B 97 8.030 33.988 21.072 1.00 21.91 C +ATOM 1390 N ASN B 98 4.985 36.963 21.888 1.00 16.25 N +ATOM 1391 CA ASN B 98 4.246 38.195 21.653 1.00 17.28 C +ATOM 1392 C ASN B 98 5.065 39.157 20.818 1.00 17.36 C +ATOM 1393 O ASN B 98 6.240 39.384 21.089 1.00 17.43 O +ATOM 1394 CB ASN B 98 3.930 38.918 22.973 1.00 18.55 C +ATOM 1395 CG ASN B 98 2.943 38.104 23.793 1.00 20.25 C +ATOM 1396 OD1 ASN B 98 1.729 38.356 23.839 1.00 24.68 O +ATOM 1397 ND2 ASN B 98 3.497 37.108 24.449 1.00 18.98 N +ATOM 1398 N PHE B 99 4.379 39.755 19.828 1.00 20.63 N +ATOM 1399 CA PHE B 99 5.012 40.810 19.060 1.00 22.57 C +ATOM 1400 C PHE B 99 3.951 41.715 18.431 1.00 24.05 C +ATOM 1401 O PHE B 99 4.304 42.683 17.739 1.00 27.48 O +ATOM 1402 CB PHE B 99 5.977 40.266 17.980 1.00 24.60 C +ATOM 1403 CG PHE B 99 5.418 39.288 16.964 1.00 26.81 C +ATOM 1404 CD1 PHE B 99 5.365 37.934 17.241 1.00 27.56 C +ATOM 1405 CD2 PHE B 99 4.958 39.772 15.742 1.00 29.11 C +ATOM 1406 CE1 PHE B 99 4.852 37.059 16.289 1.00 30.24 C +ATOM 1407 CE2 PHE B 99 4.413 38.905 14.798 1.00 31.17 C +ATOM 1408 CZ PHE B 99 4.345 37.549 15.092 1.00 32.06 C +ATOM 1409 OXT PHE B 99 2.741 41.475 18.648 1.00 33.55 O +TER 1410 PHE B 99 +END diff --git a/core/tests/data/aln_tpl/2aoh-1_cut_A.fasta b/core/tests/data/aln_tpl/2aoh-1_cut_A.fasta new file mode 100644 index 00000000..1260c720 --- /dev/null +++ b/core/tests/data/aln_tpl/2aoh-1_cut_A.fasta @@ -0,0 +1,4 @@ +>trg +PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPANIIGRNLLTQIGATLNF +>A +PQITL------TIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPANIIGRNLLTQIGATLNF diff --git a/core/tests/data/aln_tpl/2aoh-1_cut_B.fasta b/core/tests/data/aln_tpl/2aoh-1_cut_B.fasta new file mode 100644 index 00000000..5083859c --- /dev/null +++ b/core/tests/data/aln_tpl/2aoh-1_cut_B.fasta @@ -0,0 +1,4 @@ +>trg +PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPANIIGRNLLTQIGATLNF +>B +PQITLWKRPLVTIKIG------LLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPANIIGRNLLTQIGATLNF diff --git a/core/tests/data/aln_tpl/2jlp-1.aln b/core/tests/data/aln_tpl/2jlp-1.aln new file mode 100644 index 00000000..67ee5847 --- /dev/null +++ b/core/tests/data/aln_tpl/2jlp-1.aln @@ -0,0 +1,10 @@ +CLUSTAL + +TARGET MVVKAVCVINGDAKGTVFFEQESSGTPVKVSGEVCGLAKGLHGFHVHEFGDNTNGCMSSG +A|55 -----------------------------------------RAIHVHQFGDLSQGCESTG + +TARGET PHFNPYGKEHGAPVDENRHLGDLGNIEATGDCPTKVNITDSKITLFGADSIIGRTVVVHA +A|55 PHYNPLAVPH------PQHPGDFGNF-AVRDGSLWRYRAGLAASLAGPHSIVGRAVVVHA + +TARGET DADDLGQGGHELSKSTGNAGARIGCGVIGIAKV +A|55 GEDDLGRGGNQASVENGNAGRRLACCVVGV--- \ No newline at end of file diff --git a/core/tests/data/aln_tpl/2jlp-1.fasta b/core/tests/data/aln_tpl/2jlp-1.fasta new file mode 100644 index 00000000..2c0f66dc --- /dev/null +++ b/core/tests/data/aln_tpl/2jlp-1.fasta @@ -0,0 +1,8 @@ +>trg +MVVKAVCVINGDAKGTVFFEQESSGTPVKVSGEVCGLAKGLHGFHVHEFGDNTNGCMSSGPHFNPYGKEHGA +PVDENRHLGDLGNIEATGDCPTKVNITDSKITLFGADSIIGRTVVVHADADDLGQGGHELSKSTGNAGARIG +CGVIGIAKV +> 2jlp-1.A | 55 +-----------------------------------------RAIHVHQFGDLSQGCESTGPHYNPLAVPH-- +----PQHPGDFGNF-AVRDGSLWRYRAGLAASLAGPHSIVGRAVVVHAGEDDLGRGGNQASVENGNAGRRLA +CCVVGV--- \ No newline at end of file diff --git a/core/tests/data/aln_tpl/2jlp-1.json b/core/tests/data/aln_tpl/2jlp-1.json new file mode 100644 index 00000000..337711b8 --- /dev/null +++ b/core/tests/data/aln_tpl/2jlp-1.json @@ -0,0 +1,15 @@ +{ + "alignmentlist": [ + { + "target": { + "name": "mytrg", + "seqres": "MVVKAVCVINGDAKGTVFFEQESSGTPVKVSGEVCGLAKGLHGFHVHEFGDNTNGCMSSGPHFNPYGKEHGAPVDENRHLGDLGNIEATGDCPTKVNITDSKITLFGADSIIGRTVVVHADADDLGQGGHELSKSTGNAGARIGCGVIGIAKV" + }, + "template": { + "name": "2jlp-1.A", + "offset": 55, + "seqres": "-----------------------------------------RAIHVHQFGDLSQGCESTGPHYNPLAVPH------PQHPGDFGNF-AVRDGSLWRYRAGLAASLAGPHSIVGRAVVVHAGEDDLGRGGNQASVENGNAGRRLACCVVGV---" + } + } + ] +} \ No newline at end of file diff --git a/core/tests/data/aln_tpl/2jlp-1.pdb b/core/tests/data/aln_tpl/2jlp-1.pdb new file mode 100644 index 00000000..2839d3b0 --- /dev/null +++ b/core/tests/data/aln_tpl/2jlp-1.pdb @@ -0,0 +1,5868 @@ +ATOM 1 N ASP A 38 42.089 6.311 4.941 0.50 38.91 N +ATOM 2 CA ASP A 38 43.217 7.280 5.160 0.50 39.66 C +ATOM 3 C ASP A 38 42.842 8.103 6.370 0.50 38.90 C +ATOM 4 O ASP A 38 43.326 7.860 7.474 0.50 39.82 O +ATOM 5 CB ASP A 38 43.439 8.181 3.937 0.50 39.69 C +ATOM 6 CG ASP A 38 44.644 7.760 3.090 0.50 41.04 C +ATOM 7 OD1 ASP A 38 45.121 6.604 3.214 0.50 43.13 O +ATOM 8 OD2 ASP A 38 45.120 8.604 2.290 0.50 43.30 O +ATOM 9 N GLY A 39 41.985 9.093 6.156 1.00 37.84 N +ATOM 10 CA GLY A 39 41.228 9.692 7.255 1.00 36.37 C +ATOM 11 C GLY A 39 39.958 8.886 7.541 1.00 34.03 C +ATOM 12 O GLY A 39 39.136 9.322 8.338 1.00 34.51 O +ATOM 13 N THR A 40 39.774 7.744 6.871 1.00 32.15 N +ATOM 14 CA THR A 40 38.522 6.974 7.018 1.00 31.12 C +ATOM 15 C THR A 40 38.575 6.336 8.395 1.00 29.91 C +ATOM 16 O THR A 40 39.646 5.939 8.846 1.00 29.62 O +ATOM 17 CB THR A 40 38.338 5.862 5.908 1.00 30.97 C +ATOM 18 OG1 THR A 40 38.337 6.467 4.587 1.00 34.17 O +ATOM 19 CG2 THR A 40 37.032 5.048 6.092 1.00 32.76 C +ATOM 20 N LEU A 41 37.422 6.311 9.063 1.00 28.25 N +ATOM 21 CA LEU A 41 37.236 5.690 10.378 1.00 28.43 C +ATOM 22 C LEU A 41 36.358 4.479 10.220 1.00 28.09 C +ATOM 23 O LEU A 41 35.363 4.492 9.467 1.00 27.75 O +ATOM 24 CB LEU A 41 36.588 6.652 11.322 1.00 28.65 C +ATOM 25 CG LEU A 41 37.399 7.934 11.567 1.00 32.07 C +ATOM 26 CD1 LEU A 41 36.540 9.009 12.217 1.00 35.29 C +ATOM 27 CD2 LEU A 41 38.560 7.569 12.408 1.00 36.06 C +ATOM 28 N HIS A 42 36.690 3.431 10.962 1.00 26.35 N +ATOM 29 CA HIS A 42 35.913 2.194 10.986 1.00 26.23 C +ATOM 30 C HIS A 42 35.668 1.769 12.446 1.00 25.97 C +ATOM 31 O HIS A 42 36.530 1.915 13.308 1.00 25.20 O +ATOM 32 CB HIS A 42 36.586 1.018 10.283 1.00 26.49 C +ATOM 33 CG HIS A 42 36.919 1.282 8.846 1.00 27.87 C +ATOM 34 ND1 HIS A 42 36.149 0.855 7.791 1.00 30.82 N +ATOM 35 CD2 HIS A 42 37.976 1.907 8.305 1.00 25.22 C +ATOM 36 CE1 HIS A 42 36.706 1.242 6.656 1.00 25.59 C +ATOM 37 NE2 HIS A 42 37.815 1.882 6.939 1.00 28.41 N +ATOM 38 N ALA A 43 34.475 1.248 12.694 1.00 25.79 N +ATOM 39 CA ALA A 43 34.128 0.707 13.993 1.00 24.69 C +ATOM 40 C ALA A 43 33.289 -0.561 13.808 1.00 25.43 C +ATOM 41 O ALA A 43 32.742 -0.804 12.715 1.00 25.80 O +ATOM 42 CB ALA A 43 33.425 1.689 14.872 1.00 24.86 C +ATOM 43 N ALA A 44 33.233 -1.339 14.869 1.00 26.10 N +ATOM 44 CA ALA A 44 32.458 -2.598 14.881 1.00 25.92 C +ATOM 45 C ALA A 44 31.828 -2.833 16.228 1.00 27.05 C +ATOM 46 O ALA A 44 32.312 -2.359 17.252 1.00 27.52 O +ATOM 47 CB ALA A 44 33.359 -3.766 14.462 1.00 26.98 C +ATOM 48 N CYS A 45 30.803 -3.687 16.229 1.00 27.27 N +ATOM 49 CA CYS A 45 29.978 -3.909 17.429 1.00 26.80 C +ATOM 50 C CYS A 45 29.448 -5.348 17.316 1.00 26.93 C +ATOM 51 O CYS A 45 28.759 -5.651 16.351 1.00 27.07 O +ATOM 52 CB CYS A 45 28.929 -2.802 17.534 1.00 28.83 C +ATOM 53 SG CYS A 45 28.174 -2.454 19.164 1.00 31.65 S +ATOM 54 N GLN A 46 29.866 -6.229 18.241 1.00 25.90 N +ATOM 55 CA GLN A 46 29.465 -7.665 18.222 1.00 27.08 C +ATOM 56 C GLN A 46 28.219 -7.790 19.090 1.00 25.81 C +ATOM 57 O GLN A 46 28.263 -7.942 20.312 1.00 26.45 O +ATOM 58 CB GLN A 46 30.578 -8.543 18.813 1.00 27.22 C +ATOM 59 CG GLN A 46 31.726 -8.621 17.871 1.00 33.14 C +ATOM 60 CD GLN A 46 31.376 -9.406 16.590 1.00 33.99 C +ATOM 61 OE1 GLN A 46 30.823 -10.527 16.675 1.00 37.74 O +ATOM 62 NE2 GLN A 46 31.728 -8.864 15.444 1.00 35.80 N +ATOM 63 N VAL A 47 27.084 -7.707 18.409 1.00 26.59 N +ATOM 64 CA VAL A 47 25.771 -7.770 19.094 1.00 25.01 C +ATOM 65 C VAL A 47 25.591 -9.144 19.738 1.00 26.41 C +ATOM 66 O VAL A 47 25.737 -10.181 19.078 1.00 27.29 O +ATOM 67 CB VAL A 47 24.670 -7.484 18.063 1.00 26.50 C +ATOM 68 CG1 VAL A 47 23.245 -7.776 18.703 1.00 25.93 C +ATOM 69 CG2 VAL A 47 24.719 -6.069 17.527 1.00 24.71 C +ATOM 70 N GLN A 48 25.313 -9.147 21.032 1.00 24.84 N +ATOM 71 CA GLN A 48 25.110 -10.407 21.805 1.00 25.36 C +ATOM 72 C GLN A 48 23.894 -10.242 22.707 1.00 24.48 C +ATOM 73 O GLN A 48 23.589 -9.111 23.190 1.00 26.23 O +ATOM 74 CB GLN A 48 26.356 -10.739 22.608 1.00 26.75 C +ATOM 75 CG GLN A 48 27.504 -11.130 21.658 1.00 30.10 C +ATOM 76 CD GLN A 48 27.316 -12.546 21.028 1.00 30.03 C +ATOM 77 OE1 GLN A 48 27.015 -13.513 21.742 1.00 30.72 O +ATOM 78 NE2 GLN A 48 27.531 -12.667 19.693 1.00 34.18 N +ATOM 79 N PRO A 49 23.212 -11.339 22.978 1.00 24.94 N +ATOM 80 CA PRO A 49 22.007 -11.240 23.846 1.00 25.10 C +ATOM 81 C PRO A 49 22.290 -10.602 25.230 1.00 25.21 C +ATOM 82 O PRO A 49 23.356 -10.792 25.878 1.00 25.48 O +ATOM 83 CB PRO A 49 21.615 -12.730 24.011 1.00 24.70 C +ATOM 84 CG PRO A 49 22.066 -13.347 22.778 1.00 25.26 C +ATOM 85 CD PRO A 49 23.429 -12.718 22.587 1.00 24.70 C +ATOM 86 N SER A 50 21.341 -9.823 25.711 1.00 25.10 N +ATOM 87 CA SER A 50 21.455 -9.225 27.011 1.00 26.40 C +ATOM 88 C SER A 50 21.551 -10.291 28.115 1.00 26.97 C +ATOM 89 O SER A 50 20.797 -11.308 28.163 1.00 27.36 O +ATOM 90 CB SER A 50 20.237 -8.361 27.313 1.00 28.28 C +ATOM 91 OG SER A 50 20.299 -7.819 28.625 1.00 29.64 O +ATOM 92 N ALA A 51 22.425 -10.020 29.080 1.00 26.91 N +ATOM 93 CA ALA A 51 22.559 -10.898 30.236 1.00 28.93 C +ATOM 94 C ALA A 51 21.285 -11.057 31.058 1.00 29.31 C +ATOM 95 O ALA A 51 21.160 -12.051 31.799 1.00 30.11 O +ATOM 96 CB ALA A 51 23.757 -10.392 31.138 1.00 29.72 C +ATOM 97 N THR A 52 20.383 -10.070 30.970 1.00 30.49 N +ATOM 98 CA THR A 52 19.154 -10.044 31.774 1.00 31.38 C +ATOM 99 C THR A 52 17.924 -10.677 31.118 1.00 31.32 C +ATOM 100 O THR A 52 16.817 -10.599 31.677 1.00 32.36 O +ATOM 101 CB THR A 52 18.846 -8.598 32.131 1.00 33.11 C +ATOM 102 OG1 THR A 52 18.617 -7.849 30.936 1.00 33.10 O +ATOM 103 CG2 THR A 52 20.020 -7.989 32.893 1.00 36.02 C +ATOM 104 N LEU A 53 18.068 -11.322 29.962 1.00 30.22 N +ATOM 105 CA LEU A 53 16.875 -11.921 29.280 1.00 29.87 C +ATOM 106 C LEU A 53 16.252 -13.055 30.007 1.00 30.57 C +ATOM 107 O LEU A 53 16.984 -13.815 30.650 1.00 28.20 O +ATOM 108 CB LEU A 53 17.200 -12.471 27.882 1.00 30.85 C +ATOM 109 CG LEU A 53 17.762 -11.523 26.868 1.00 30.76 C +ATOM 110 CD1 LEU A 53 18.136 -12.331 25.571 1.00 30.49 C +ATOM 111 CD2 LEU A 53 16.817 -10.345 26.608 1.00 32.22 C +ATOM 112 N ASP A 54 14.912 -13.183 29.877 1.00 30.35 N +ATOM 113 CA ASP A 54 14.125 -14.375 30.249 1.00 29.96 C +ATOM 114 C ASP A 54 14.289 -15.459 29.220 1.00 27.56 C +ATOM 115 O ASP A 54 14.544 -15.171 28.086 1.00 26.90 O +ATOM 116 CB ASP A 54 12.579 -14.086 30.246 1.00 31.29 C +ATOM 117 CG ASP A 54 12.222 -12.962 31.134 1.00 38.47 C +ATOM 118 OD1 ASP A 54 12.728 -12.989 32.290 1.00 48.35 O +ATOM 119 OD2 ASP A 54 11.454 -12.080 30.722 1.00 42.73 O +ATOM 120 N ALA A 55 14.001 -16.708 29.608 1.00 28.77 N +ATOM 121 CA ALA A 55 14.081 -17.836 28.667 1.00 28.34 C +ATOM 122 C ALA A 55 13.144 -17.657 27.462 1.00 27.88 C +ATOM 123 O ALA A 55 13.437 -18.135 26.359 1.00 27.81 O +ATOM 124 CB ALA A 55 13.764 -19.157 29.364 1.00 29.35 C +ATOM 125 N ALA A 56 12.037 -16.939 27.657 1.00 26.22 N +ATOM 126 CA ALA A 56 11.038 -16.779 26.623 1.00 26.53 C +ATOM 127 C ALA A 56 11.476 -15.839 25.512 1.00 26.42 C +ATOM 128 O ALA A 56 10.906 -15.866 24.415 1.00 27.85 O +ATOM 129 CB ALA A 56 9.705 -16.224 27.260 1.00 26.57 C +ATOM 130 N GLN A 57 12.472 -14.975 25.755 1.00 28.17 N +ATOM 131 CA GLN A 57 12.898 -13.950 24.811 1.00 27.02 C +ATOM 132 C GLN A 57 13.824 -14.524 23.739 1.00 27.25 C +ATOM 133 O GLN A 57 14.549 -15.487 24.037 1.00 25.76 O +ATOM 134 CB GLN A 57 13.586 -12.753 25.500 1.00 27.75 C +ATOM 135 CG GLN A 57 12.645 -12.027 26.389 1.00 29.09 C +ATOM 136 CD GLN A 57 13.251 -10.879 27.067 1.00 31.77 C +ATOM 137 OE1 GLN A 57 13.207 -9.703 26.578 1.00 37.54 O +ATOM 138 NE2 GLN A 57 13.811 -11.154 28.209 1.00 29.49 N +ATOM 139 N PRO A 58 13.794 -13.960 22.527 1.00 27.70 N +ATOM 140 CA PRO A 58 14.746 -14.459 21.551 1.00 26.66 C +ATOM 141 C PRO A 58 16.154 -14.028 21.896 1.00 25.42 C +ATOM 142 O PRO A 58 16.346 -12.985 22.535 1.00 26.23 O +ATOM 143 CB PRO A 58 14.301 -13.817 20.230 1.00 28.02 C +ATOM 144 CG PRO A 58 13.604 -12.542 20.658 1.00 29.06 C +ATOM 145 CD PRO A 58 12.922 -12.898 21.958 1.00 27.08 C +ATOM 146 N ARG A 59 17.115 -14.801 21.399 1.00 24.83 N +ATOM 147 CA ARG A 59 18.543 -14.529 21.618 1.00 24.05 C +ATOM 148 C ARG A 59 19.209 -14.171 20.288 1.00 24.41 C +ATOM 149 O ARG A 59 19.441 -15.018 19.389 1.00 24.30 O +ATOM 150 CB ARG A 59 19.182 -15.786 22.238 1.00 23.61 C +ATOM 151 CG ARG A 59 18.535 -16.164 23.614 1.00 23.26 C +ATOM 152 CD ARG A 59 19.303 -17.228 24.309 1.00 24.90 C +ATOM 153 NE ARG A 59 20.472 -16.662 24.981 1.00 24.94 N +ATOM 154 CZ ARG A 59 20.449 -15.996 26.131 1.00 25.98 C +ATOM 155 NH1 ARG A 59 19.323 -15.829 26.834 1.00 27.70 N +ATOM 156 NH2 ARG A 59 21.584 -15.528 26.618 1.00 26.49 N +ATOM 157 N VAL A 60 19.384 -12.887 20.160 1.00 23.85 N +ATOM 158 CA VAL A 60 19.829 -12.229 18.936 1.00 25.01 C +ATOM 159 C VAL A 60 21.379 -11.985 19.002 1.00 25.14 C +ATOM 160 O VAL A 60 21.905 -11.416 19.949 1.00 25.30 O +ATOM 161 CB VAL A 60 19.094 -10.940 18.802 1.00 26.71 C +ATOM 162 CG1 VAL A 60 19.619 -10.126 17.609 1.00 25.26 C +ATOM 163 CG2 VAL A 60 17.566 -11.150 18.643 1.00 28.32 C +ATOM 164 N THR A 61 22.023 -12.366 17.885 1.00 26.44 N +ATOM 165 CA THR A 61 23.461 -12.257 17.735 1.00 25.81 C +ATOM 166 C THR A 61 23.755 -11.653 16.367 1.00 27.36 C +ATOM 167 O THR A 61 23.012 -11.819 15.393 1.00 27.18 O +ATOM 168 CB THR A 61 24.186 -13.591 17.837 1.00 28.64 C +ATOM 169 OG1 THR A 61 23.707 -14.493 16.837 1.00 28.90 O +ATOM 170 CG2 THR A 61 23.992 -14.262 19.221 1.00 29.28 C +ATOM 171 N GLY A 62 24.898 -10.989 16.244 1.00 25.70 N +ATOM 172 CA GLY A 62 25.396 -10.623 14.915 1.00 26.81 C +ATOM 173 C GLY A 62 26.405 -9.492 15.038 1.00 27.18 C +ATOM 174 O GLY A 62 27.062 -9.388 16.075 1.00 27.79 O +ATOM 175 N VAL A 63 26.437 -8.648 14.021 1.00 27.55 N +ATOM 176 CA VAL A 63 27.433 -7.605 13.850 1.00 27.73 C +ATOM 177 C VAL A 63 26.798 -6.334 13.326 1.00 28.25 C +ATOM 178 O VAL A 63 25.868 -6.379 12.489 1.00 27.81 O +ATOM 179 CB VAL A 63 28.603 -8.063 12.940 1.00 30.17 C +ATOM 180 CG1 VAL A 63 28.147 -8.218 11.481 1.00 29.58 C +ATOM 181 CG2 VAL A 63 29.880 -7.095 13.114 1.00 29.48 C +ATOM 182 N VAL A 64 27.307 -5.206 13.810 1.00 27.44 N +ATOM 183 CA VAL A 64 27.068 -3.922 13.219 1.00 26.36 C +ATOM 184 C VAL A 64 28.466 -3.362 12.888 1.00 25.98 C +ATOM 185 O VAL A 64 29.328 -3.366 13.793 1.00 27.15 O +ATOM 186 CB VAL A 64 26.322 -2.956 14.118 1.00 27.79 C +ATOM 187 CG1 VAL A 64 26.050 -1.609 13.381 1.00 28.93 C +ATOM 188 CG2 VAL A 64 24.980 -3.615 14.581 1.00 28.44 C +ATOM 189 N LEU A 65 28.656 -2.927 11.651 1.00 26.38 N +ATOM 190 CA LEU A 65 29.920 -2.311 11.164 1.00 26.41 C +ATOM 191 C LEU A 65 29.595 -0.851 10.881 1.00 27.30 C +ATOM 192 O LEU A 65 28.480 -0.531 10.440 1.00 28.08 O +ATOM 193 CB LEU A 65 30.517 -3.012 9.918 1.00 27.86 C +ATOM 194 CG LEU A 65 30.761 -4.519 10.038 1.00 27.86 C +ATOM 195 CD1 LEU A 65 31.275 -5.129 8.710 1.00 26.50 C +ATOM 196 CD2 LEU A 65 31.703 -4.817 11.215 1.00 28.58 C +ATOM 197 N PHE A 66 30.551 0.028 11.117 1.00 25.55 N +ATOM 198 CA PHE A 66 30.432 1.435 10.810 1.00 25.90 C +ATOM 199 C PHE A 66 31.617 1.885 9.956 1.00 26.90 C +ATOM 200 O PHE A 66 32.728 1.399 10.174 1.00 26.19 O +ATOM 201 CB PHE A 66 30.397 2.259 12.078 1.00 25.89 C +ATOM 202 CG PHE A 66 29.220 1.979 12.968 1.00 26.76 C +ATOM 203 CD1 PHE A 66 27.946 2.360 12.565 1.00 26.26 C +ATOM 204 CD2 PHE A 66 29.382 1.409 14.193 1.00 28.91 C +ATOM 205 CE1 PHE A 66 26.878 2.171 13.365 1.00 26.80 C +ATOM 206 CE2 PHE A 66 28.289 1.141 14.988 1.00 29.17 C +ATOM 207 CZ PHE A 66 27.044 1.549 14.592 1.00 27.84 C +ATOM 208 N ARG A 67 31.405 2.828 9.052 1.00 27.23 N +ATOM 209 CA ARG A 67 32.466 3.362 8.217 1.00 27.03 C +ATOM 210 C ARG A 67 32.103 4.797 7.950 1.00 27.29 C +ATOM 211 O ARG A 67 30.955 5.120 7.588 1.00 27.85 O +ATOM 212 CB ARG A 67 32.516 2.589 6.888 1.00 25.64 C +ATOM 213 CG ARG A 67 33.686 2.903 5.933 1.00 29.10 C +ATOM 214 CD ARG A 67 33.521 4.128 5.180 1.00 33.11 C +ATOM 215 NE ARG A 67 32.444 4.145 4.189 1.00 34.81 N +ATOM 216 CZ ARG A 67 32.531 3.668 2.952 1.00 34.03 C +ATOM 217 NH1 ARG A 67 33.615 3.025 2.539 1.00 34.93 N +ATOM 218 NH2 ARG A 67 31.514 3.834 2.114 1.00 31.27 N +ATOM 219 N GLN A 68 33.049 5.670 8.219 1.00 27.28 N +ATOM 220 CA GLN A 68 32.878 7.115 8.023 1.00 27.76 C +ATOM 221 C GLN A 68 34.090 7.619 7.240 1.00 29.07 C +ATOM 222 O GLN A 68 35.225 7.548 7.703 1.00 28.95 O +ATOM 223 CB GLN A 68 32.766 7.768 9.393 1.00 29.10 C +ATOM 224 CG GLN A 68 32.287 9.217 9.322 1.00 31.43 C +ATOM 225 CD GLN A 68 32.174 9.835 10.703 1.00 34.30 C +ATOM 226 OE1 GLN A 68 32.546 9.213 11.701 1.00 38.06 O +ATOM 227 NE2 GLN A 68 31.769 11.096 10.761 1.00 34.19 N +ATOM 228 N LEU A 69 33.826 8.075 6.030 1.00 29.06 N +ATOM 229 CA LEU A 69 34.870 8.477 5.107 1.00 30.68 C +ATOM 230 C LEU A 69 35.708 9.649 5.590 1.00 30.97 C +ATOM 231 O LEU A 69 36.880 9.748 5.239 1.00 32.44 O +ATOM 232 CB LEU A 69 34.250 8.731 3.751 1.00 31.33 C +ATOM 233 CG LEU A 69 33.974 7.410 3.019 1.00 35.00 C +ATOM 234 CD1 LEU A 69 33.178 7.666 1.766 1.00 39.51 C +ATOM 235 CD2 LEU A 69 35.289 6.706 2.671 1.00 38.71 C +ATOM 236 N ALA A 70 35.112 10.534 6.370 1.00 32.02 N +ATOM 237 CA ALA A 70 35.825 11.671 6.982 1.00 33.46 C +ATOM 238 C ALA A 70 34.990 12.156 8.164 1.00 35.66 C +ATOM 239 O ALA A 70 33.801 11.856 8.241 1.00 34.49 O +ATOM 240 CB ALA A 70 35.991 12.800 5.964 1.00 33.22 C +ATOM 241 N PRO A 71 35.594 12.913 9.087 1.00 38.93 N +ATOM 242 CA PRO A 71 34.854 13.430 10.257 1.00 40.22 C +ATOM 243 C PRO A 71 33.546 14.131 9.948 1.00 41.57 C +ATOM 244 O PRO A 71 32.547 13.874 10.626 1.00 42.00 O +ATOM 245 CB PRO A 71 35.854 14.385 10.886 1.00 41.07 C +ATOM 246 CG PRO A 71 37.152 13.705 10.611 1.00 40.15 C +ATOM 247 CD PRO A 71 37.020 13.270 9.171 1.00 39.68 C +ATOM 248 N ARG A 72 33.506 14.953 8.905 1.00 42.04 N +ATOM 249 CA ARG A 72 32.250 15.626 8.572 0.50 42.31 C +ATOM 250 C ARG A 72 31.272 14.732 7.778 1.00 42.07 C +ATOM 251 O ARG A 72 30.123 15.123 7.551 1.00 42.93 O +ATOM 252 CB ARG A 72 32.520 16.937 7.814 0.50 42.67 C +ATOM 253 CG ARG A 72 33.538 17.884 8.470 0.50 43.67 C +ATOM 254 CD ARG A 72 33.248 18.225 9.941 0.50 45.45 C +ATOM 255 NE ARG A 72 33.204 19.675 10.178 0.50 46.40 N +ATOM 256 CZ ARG A 72 34.230 20.519 10.062 0.50 46.31 C +ATOM 257 NH1 ARG A 72 35.438 20.099 9.692 0.50 46.11 N +ATOM 258 NH2 ARG A 72 34.035 21.811 10.311 0.50 47.29 N +ATOM 259 N ALA A 73 31.712 13.534 7.367 1.00 40.31 N +ATOM 260 CA ALA A 73 30.899 12.693 6.470 1.00 38.08 C +ATOM 261 C ALA A 73 29.770 12.099 7.237 1.00 35.93 C +ATOM 262 O ALA A 73 29.887 11.916 8.447 1.00 35.34 O +ATOM 263 CB ALA A 73 31.722 11.588 5.860 1.00 38.34 C +ATOM 264 N LYS A 74 28.673 11.795 6.546 1.00 34.16 N +ATOM 265 CA LYS A 74 27.614 11.018 7.177 1.00 33.23 C +ATOM 266 C LYS A 74 28.126 9.580 7.340 1.00 32.39 C +ATOM 267 O LYS A 74 28.931 9.089 6.544 1.00 32.28 O +ATOM 268 CB LYS A 74 26.350 10.985 6.323 1.00 34.25 C +ATOM 269 CG LYS A 74 25.731 12.309 6.057 1.00 36.16 C +ATOM 270 CD LYS A 74 25.143 12.898 7.286 1.00 42.19 C +ATOM 271 CE LYS A 74 24.303 14.145 6.942 1.00 48.25 C +ATOM 272 NZ LYS A 74 23.367 14.418 8.094 1.00 52.22 N +ATOM 273 N LEU A 75 27.586 8.894 8.338 1.00 29.80 N +ATOM 274 CA LEU A 75 27.994 7.556 8.680 1.00 29.00 C +ATOM 275 C LEU A 75 27.308 6.497 7.785 1.00 27.82 C +ATOM 276 O LEU A 75 26.092 6.532 7.553 1.00 30.45 O +ATOM 277 CB LEU A 75 27.739 7.326 10.163 1.00 28.86 C +ATOM 278 CG LEU A 75 28.234 6.095 10.896 1.00 29.56 C +ATOM 279 CD1 LEU A 75 29.738 6.007 10.789 1.00 31.39 C +ATOM 280 CD2 LEU A 75 27.833 6.047 12.412 1.00 32.16 C +ATOM 281 N ASP A 76 28.100 5.535 7.327 1.00 26.53 N +ATOM 282 CA ASP A 76 27.614 4.312 6.701 1.00 25.47 C +ATOM 283 C ASP A 76 27.657 3.167 7.707 1.00 26.00 C +ATOM 284 O ASP A 76 28.535 3.151 8.579 1.00 25.92 O +ATOM 285 CB ASP A 76 28.496 3.935 5.504 1.00 24.02 C +ATOM 286 CG ASP A 76 28.519 5.004 4.415 1.00 27.50 C +ATOM 287 OD1 ASP A 76 27.432 5.517 4.057 1.00 25.51 O +ATOM 288 OD2 ASP A 76 29.600 5.304 3.943 1.00 28.87 O +ATOM 289 N ALA A 77 26.699 2.239 7.620 1.00 26.05 N +ATOM 290 CA ALA A 77 26.630 1.130 8.535 1.00 26.18 C +ATOM 291 C ALA A 77 26.131 -0.140 7.836 1.00 26.08 C +ATOM 292 O ALA A 77 25.472 -0.111 6.786 1.00 26.10 O +ATOM 293 CB ALA A 77 25.816 1.497 9.768 1.00 27.13 C +ATOM 294 N PHE A 78 26.474 -1.253 8.443 1.00 26.54 N +ATOM 295 CA PHE A 78 26.050 -2.543 8.034 1.00 25.78 C +ATOM 296 C PHE A 78 25.553 -3.314 9.278 1.00 26.98 C +ATOM 297 O PHE A 78 26.195 -3.333 10.317 1.00 26.85 O +ATOM 298 CB PHE A 78 27.176 -3.323 7.401 1.00 27.37 C +ATOM 299 CG PHE A 78 26.821 -4.728 7.092 1.00 27.12 C +ATOM 300 CD1 PHE A 78 25.968 -5.001 6.039 1.00 28.38 C +ATOM 301 CD2 PHE A 78 27.339 -5.789 7.823 1.00 26.88 C +ATOM 302 CE1 PHE A 78 25.594 -6.302 5.740 1.00 31.17 C +ATOM 303 CE2 PHE A 78 26.996 -7.104 7.481 1.00 29.58 C +ATOM 304 CZ PHE A 78 26.155 -7.367 6.473 1.00 27.77 C +ATOM 305 N PHE A 79 24.381 -3.938 9.114 1.00 27.02 N +ATOM 306 CA PHE A 79 23.713 -4.678 10.170 1.00 27.70 C +ATOM 307 C PHE A 79 23.386 -6.082 9.711 1.00 28.52 C +ATOM 308 O PHE A 79 22.733 -6.257 8.673 1.00 27.63 O +ATOM 309 CB PHE A 79 22.398 -4.012 10.539 1.00 28.26 C +ATOM 310 CG PHE A 79 22.496 -2.572 10.895 1.00 27.43 C +ATOM 311 CD1 PHE A 79 22.512 -2.184 12.207 1.00 28.71 C +ATOM 312 CD2 PHE A 79 22.607 -1.600 9.901 1.00 25.70 C +ATOM 313 CE1 PHE A 79 22.591 -0.850 12.581 1.00 28.75 C +ATOM 314 CE2 PHE A 79 22.693 -0.250 10.250 1.00 28.07 C +ATOM 315 CZ PHE A 79 22.701 0.106 11.580 1.00 27.19 C +ATOM 316 N ALA A 80 23.817 -7.103 10.443 1.00 28.53 N +ATOM 317 CA ALA A 80 23.524 -8.494 10.061 1.00 28.44 C +ATOM 318 C ALA A 80 23.287 -9.240 11.357 1.00 28.89 C +ATOM 319 O ALA A 80 24.213 -9.449 12.120 1.00 29.19 O +ATOM 320 CB ALA A 80 24.665 -9.148 9.309 1.00 29.69 C +ATOM 321 N LEU A 81 22.032 -9.549 11.653 1.00 27.29 N +ATOM 322 CA LEU A 81 21.657 -10.215 12.901 1.00 27.61 C +ATOM 323 C LEU A 81 20.841 -11.478 12.623 1.00 27.21 C +ATOM 324 O LEU A 81 20.182 -11.611 11.614 1.00 27.28 O +ATOM 325 CB LEU A 81 20.812 -9.280 13.786 1.00 29.40 C +ATOM 326 CG LEU A 81 21.386 -7.878 14.042 1.00 30.32 C +ATOM 327 CD1 LEU A 81 20.453 -6.981 14.856 1.00 33.06 C +ATOM 328 CD2 LEU A 81 22.725 -7.917 14.813 1.00 32.57 C +ATOM 329 N GLU A 82 20.951 -12.403 13.557 1.00 27.71 N +ATOM 330 CA GLU A 82 20.147 -13.603 13.513 0.50 29.09 C +ATOM 331 C GLU A 82 19.618 -13.953 14.908 1.00 27.75 C +ATOM 332 O GLU A 82 19.975 -13.320 15.907 1.00 28.24 O +ATOM 333 CB GLU A 82 20.893 -14.754 12.816 0.50 30.59 C +ATOM 334 CG GLU A 82 21.896 -15.553 13.606 0.50 34.56 C +ATOM 335 CD GLU A 82 22.316 -16.821 12.856 0.50 37.73 C +ATOM 336 OE1 GLU A 82 22.405 -16.754 11.612 0.50 41.60 O +ATOM 337 OE2 GLU A 82 22.535 -17.895 13.491 0.50 41.79 O +ATOM 338 N GLY A 83 18.660 -14.878 14.936 1.00 27.32 N +ATOM 339 CA GLY A 83 18.108 -15.347 16.195 1.00 27.80 C +ATOM 340 C GLY A 83 16.728 -14.824 16.519 1.00 27.32 C +ATOM 341 O GLY A 83 16.165 -15.184 17.526 1.00 28.42 O +ATOM 342 N PHE A 84 16.158 -14.004 15.657 1.00 27.39 N +ATOM 343 CA PHE A 84 14.736 -13.670 15.786 1.00 28.81 C +ATOM 344 C PHE A 84 13.835 -14.878 15.533 1.00 29.26 C +ATOM 345 O PHE A 84 14.206 -15.818 14.828 1.00 30.12 O +ATOM 346 CB PHE A 84 14.365 -12.502 14.877 1.00 29.06 C +ATOM 347 CG PHE A 84 15.055 -11.230 15.206 1.00 29.89 C +ATOM 348 CD1 PHE A 84 14.574 -10.411 16.200 1.00 28.64 C +ATOM 349 CD2 PHE A 84 16.181 -10.831 14.500 1.00 30.61 C +ATOM 350 CE1 PHE A 84 15.210 -9.192 16.473 1.00 30.63 C +ATOM 351 CE2 PHE A 84 16.831 -9.607 14.793 1.00 31.73 C +ATOM 352 CZ PHE A 84 16.333 -8.816 15.762 1.00 30.23 C +ATOM 353 N PRO A 85 12.614 -14.844 16.101 1.00 32.45 N +ATOM 354 CA PRO A 85 11.615 -15.867 15.806 1.00 34.27 C +ATOM 355 C PRO A 85 11.394 -15.934 14.293 1.00 36.17 C +ATOM 356 O PRO A 85 11.351 -14.870 13.648 1.00 35.60 O +ATOM 357 CB PRO A 85 10.365 -15.363 16.543 1.00 34.42 C +ATOM 358 CG PRO A 85 10.828 -14.496 17.564 1.00 34.43 C +ATOM 359 CD PRO A 85 12.090 -13.810 17.013 1.00 32.12 C +ATOM 360 N THR A 86 11.308 -17.156 13.740 1.00 38.78 N +ATOM 361 CA THR A 86 11.003 -17.393 12.323 1.00 40.80 C +ATOM 362 C THR A 86 9.484 -17.454 12.079 1.00 43.03 C +ATOM 363 O THR A 86 9.047 -17.329 10.948 1.00 44.51 O +ATOM 364 CB THR A 86 11.604 -18.707 11.794 1.00 41.17 C +ATOM 365 OG1 THR A 86 11.019 -19.797 12.507 1.00 42.22 O +ATOM 366 CG2 THR A 86 13.134 -18.783 11.951 1.00 39.83 C +ATOM 367 N GLU A 87 8.698 -17.683 13.134 1.00 44.35 N +ATOM 368 CA GLU A 87 7.242 -17.532 13.123 1.00 45.74 C +ATOM 369 C GLU A 87 6.865 -16.489 14.185 1.00 46.66 C +ATOM 370 O GLU A 87 7.244 -16.653 15.346 1.00 47.43 O +ATOM 371 CB GLU A 87 6.567 -18.864 13.470 0.10 45.60 C +ATOM 372 CG GLU A 87 6.993 -20.047 12.609 0.10 45.65 C +ATOM 373 CD GLU A 87 6.526 -21.378 13.172 0.10 45.81 C +ATOM 374 OE1 GLU A 87 5.324 -21.507 13.487 0.10 46.07 O +ATOM 375 OE2 GLU A 87 7.360 -22.301 13.292 0.10 45.85 O +ATOM 376 N PRO A 88 6.167 -15.393 13.808 1.00 47.40 N +ATOM 377 CA PRO A 88 5.787 -14.923 12.464 1.00 47.64 C +ATOM 378 C PRO A 88 6.994 -14.834 11.546 1.00 47.63 C +ATOM 379 O PRO A 88 8.112 -14.685 12.035 1.00 47.94 O +ATOM 380 CB PRO A 88 5.216 -13.519 12.729 1.00 48.01 C +ATOM 381 CG PRO A 88 4.698 -13.587 14.151 1.00 48.05 C +ATOM 382 CD PRO A 88 5.698 -14.464 14.862 1.00 47.94 C +ATOM 383 N ASN A 89 6.783 -14.944 10.237 1.00 47.06 N +ATOM 384 CA ASN A 89 7.905 -14.946 9.294 1.00 47.08 C +ATOM 385 C ASN A 89 8.554 -13.566 9.134 1.00 46.38 C +ATOM 386 O ASN A 89 9.655 -13.471 8.602 1.00 46.51 O +ATOM 387 CB ASN A 89 7.516 -15.509 7.921 1.00 47.50 C +ATOM 388 CG ASN A 89 6.276 -14.836 7.336 1.00 49.58 C +ATOM 389 OD1 ASN A 89 6.283 -13.636 7.039 1.00 51.44 O +ATOM 390 ND2 ASN A 89 5.203 -15.609 7.181 1.00 52.34 N +ATOM 391 N SER A 90 7.882 -12.494 9.554 1.00 45.36 N +ATOM 392 CA SER A 90 8.565 -11.191 9.514 1.00 44.75 C +ATOM 393 C SER A 90 8.162 -10.199 10.611 1.00 43.41 C +ATOM 394 O SER A 90 7.133 -10.324 11.291 1.00 42.83 O +ATOM 395 CB SER A 90 8.394 -10.538 8.145 1.00 45.04 C +ATOM 396 OG SER A 90 7.033 -10.412 7.833 1.00 46.55 O +ATOM 397 N SER A 91 8.999 -9.185 10.765 1.00 40.86 N +ATOM 398 CA SER A 91 8.799 -8.247 11.836 1.00 39.18 C +ATOM 399 C SER A 91 9.601 -6.979 11.519 1.00 38.19 C +ATOM 400 O SER A 91 10.410 -6.988 10.583 1.00 38.83 O +ATOM 401 CB SER A 91 9.226 -8.892 13.155 1.00 38.43 C +ATOM 402 OG SER A 91 10.632 -9.170 13.270 1.00 38.42 O +ATOM 403 N SER A 92 9.357 -5.922 12.279 1.00 35.05 N +ATOM 404 CA SER A 92 10.144 -4.706 12.198 1.00 34.09 C +ATOM 405 C SER A 92 10.796 -4.454 13.562 1.00 31.69 C +ATOM 406 O SER A 92 10.101 -4.494 14.583 1.00 31.05 O +ATOM 407 CB SER A 92 9.184 -3.606 11.868 1.00 35.22 C +ATOM 408 OG SER A 92 9.863 -2.451 11.615 1.00 35.72 O +ATOM 409 N ARG A 93 12.114 -4.237 13.614 1.00 28.86 N +ATOM 410 CA ARG A 93 12.789 -4.063 14.906 1.00 28.75 C +ATOM 411 C ARG A 93 13.672 -2.787 14.902 1.00 28.33 C +ATOM 412 O ARG A 93 14.384 -2.558 13.943 1.00 28.60 O +ATOM 413 CB ARG A 93 13.688 -5.260 15.243 1.00 27.89 C +ATOM 414 CG ARG A 93 13.016 -6.635 15.152 1.00 29.74 C +ATOM 415 CD ARG A 93 12.019 -6.871 16.271 1.00 29.18 C +ATOM 416 NE ARG A 93 11.469 -8.247 16.034 1.00 34.26 N +ATOM 417 CZ ARG A 93 11.186 -9.200 16.911 1.00 36.58 C +ATOM 418 NH1 ARG A 93 11.242 -9.026 18.219 1.00 38.18 N +ATOM 419 NH2 ARG A 93 10.782 -10.387 16.437 1.00 34.55 N +ATOM 420 N ALA A 94 13.668 -2.079 16.023 1.00 27.09 N +ATOM 421 CA ALA A 94 14.425 -0.832 16.216 1.00 26.30 C +ATOM 422 C ALA A 94 15.894 -1.120 16.632 1.00 27.33 C +ATOM 423 O ALA A 94 16.139 -1.988 17.459 1.00 26.73 O +ATOM 424 CB ALA A 94 13.755 0.022 17.279 1.00 27.13 C +ATOM 425 N ILE A 95 16.838 -0.316 16.142 1.00 26.67 N +ATOM 426 CA ILE A 95 18.212 -0.341 16.602 1.00 24.83 C +ATOM 427 C ILE A 95 18.663 1.095 16.860 1.00 25.09 C +ATOM 428 O ILE A 95 18.426 1.983 16.006 1.00 27.31 O +ATOM 429 CB ILE A 95 19.149 -0.998 15.604 1.00 25.79 C +ATOM 430 CG1 ILE A 95 18.626 -2.438 15.281 1.00 26.83 C +ATOM 431 CG2 ILE A 95 20.552 -0.998 16.171 1.00 25.69 C +ATOM 432 CD1 ILE A 95 19.418 -3.215 14.202 1.00 27.80 C +ATOM 433 N HIS A 96 19.282 1.320 18.016 1.00 26.26 N +ATOM 434 CA HIS A 96 19.739 2.658 18.351 1.00 28.04 C +ATOM 435 C HIS A 96 21.094 2.639 19.059 1.00 27.84 C +ATOM 436 O HIS A 96 21.438 1.626 19.660 1.00 27.97 O +ATOM 437 CB HIS A 96 18.794 3.321 19.335 1.00 30.57 C +ATOM 438 CG HIS A 96 17.325 3.164 19.071 1.00 28.27 C +ATOM 439 ND1 HIS A 96 16.505 2.524 19.965 1.00 33.45 N +ATOM 440 CD2 HIS A 96 16.516 3.690 18.109 1.00 31.21 C +ATOM 441 CE1 HIS A 96 15.252 2.618 19.544 1.00 29.40 C +ATOM 442 NE2 HIS A 96 15.234 3.295 18.406 1.00 30.61 N +ATOM 443 N VAL A 97 21.654 3.834 19.233 1.00 27.02 N +ATOM 444 CA VAL A 97 22.816 4.015 20.087 1.00 26.88 C +ATOM 445 C VAL A 97 22.327 4.537 21.453 1.00 27.47 C +ATOM 446 O VAL A 97 21.600 5.541 21.505 1.00 27.21 O +ATOM 447 CB VAL A 97 23.858 5.003 19.497 1.00 27.12 C +ATOM 448 CG1 VAL A 97 25.014 5.194 20.443 1.00 27.92 C +ATOM 449 CG2 VAL A 97 24.354 4.575 18.089 1.00 29.75 C +ATOM 450 N HIS A 98 22.769 3.886 22.518 1.00 25.88 N +ATOM 451 CA HIS A 98 22.517 4.245 23.900 1.00 25.60 C +ATOM 452 C HIS A 98 23.801 4.805 24.516 1.00 26.74 C +ATOM 453 O HIS A 98 24.959 4.561 24.017 1.00 26.48 O +ATOM 454 CB HIS A 98 21.974 3.074 24.678 1.00 25.91 C +ATOM 455 CG HIS A 98 20.587 2.720 24.277 1.00 26.57 C +ATOM 456 ND1 HIS A 98 19.532 2.707 25.172 1.00 27.50 N +ATOM 457 CD2 HIS A 98 20.066 2.429 23.063 1.00 31.38 C +ATOM 458 CE1 HIS A 98 18.429 2.388 24.522 1.00 29.80 C +ATOM 459 NE2 HIS A 98 18.720 2.200 23.259 1.00 28.57 N +ATOM 460 N GLN A 99 23.606 5.593 25.552 1.00 25.86 N +ATOM 461 CA GLN A 99 24.643 6.471 26.085 1.00 27.21 C +ATOM 462 C GLN A 99 25.943 5.777 26.523 1.00 27.11 C +ATOM 463 O GLN A 99 27.059 6.299 26.251 1.00 28.08 O +ATOM 464 CB GLN A 99 24.096 7.260 27.280 1.00 27.01 C +ATOM 465 CG GLN A 99 25.060 8.326 27.771 1.00 27.93 C +ATOM 466 CD GLN A 99 24.477 9.155 28.882 1.00 32.23 C +ATOM 467 OE1 GLN A 99 23.369 8.881 29.351 1.00 30.28 O +ATOM 468 NE2 GLN A 99 25.218 10.172 29.317 1.00 30.36 N +ATOM 469 N PHE A 100 25.815 4.644 27.209 1.00 26.14 N +ATOM 470 CA PHE A 100 26.964 4.068 27.905 1.00 26.47 C +ATOM 471 C PHE A 100 27.275 2.708 27.383 1.00 25.40 C +ATOM 472 O PHE A 100 26.356 1.896 27.197 1.00 27.52 O +ATOM 473 CB PHE A 100 26.723 3.926 29.387 1.00 25.93 C +ATOM 474 CG PHE A 100 26.604 5.231 30.100 1.00 30.18 C +ATOM 475 CD1 PHE A 100 27.580 6.200 29.963 1.00 30.18 C +ATOM 476 CD2 PHE A 100 25.515 5.471 30.841 1.00 34.63 C +ATOM 477 CE1 PHE A 100 27.461 7.450 30.672 1.00 35.20 C +ATOM 478 CE2 PHE A 100 25.378 6.710 31.492 1.00 35.85 C +ATOM 479 CZ PHE A 100 26.360 7.658 31.409 1.00 33.88 C +ATOM 480 N GLY A 101 28.570 2.455 27.099 1.00 26.56 N +ATOM 481 CA GLY A 101 29.043 1.084 26.820 1.00 28.09 C +ATOM 482 C GLY A 101 29.241 0.314 28.084 1.00 28.29 C +ATOM 483 O GLY A 101 30.366 -0.121 28.373 1.00 28.75 O +ATOM 484 N ASP A 102 28.166 0.152 28.866 1.00 27.61 N +ATOM 485 CA ASP A 102 28.196 -0.419 30.188 1.00 29.01 C +ATOM 486 C ASP A 102 27.263 -1.607 30.157 1.00 31.18 C +ATOM 487 O ASP A 102 26.052 -1.419 30.115 1.00 29.89 O +ATOM 488 CB ASP A 102 27.704 0.578 31.216 1.00 29.61 C +ATOM 489 CG ASP A 102 27.623 0.006 32.632 1.00 29.06 C +ATOM 490 OD1 ASP A 102 27.864 -1.237 32.835 1.00 31.33 O +ATOM 491 OD2 ASP A 102 27.345 0.841 33.535 1.00 32.95 O +ATOM 492 N LEU A 103 27.851 -2.811 30.110 1.00 32.68 N +ATOM 493 CA LEU A 103 27.052 -4.055 29.997 1.00 33.90 C +ATOM 494 C LEU A 103 26.976 -4.798 31.319 1.00 34.00 C +ATOM 495 O LEU A 103 26.673 -6.000 31.352 1.00 32.97 O +ATOM 496 CB LEU A 103 27.637 -4.958 28.879 1.00 34.86 C +ATOM 497 CG LEU A 103 27.297 -4.698 27.400 1.00 39.49 C +ATOM 498 CD1 LEU A 103 26.981 -3.273 27.070 1.00 36.57 C +ATOM 499 CD2 LEU A 103 28.352 -5.316 26.471 1.00 40.60 C +ATOM 500 N SER A 104 27.202 -4.093 32.427 1.00 31.76 N +ATOM 501 CA SER A 104 27.196 -4.713 33.765 1.00 34.02 C +ATOM 502 C SER A 104 25.845 -5.302 34.153 1.00 34.00 C +ATOM 503 O SER A 104 25.822 -6.352 34.851 1.00 35.99 O +ATOM 504 CB SER A 104 27.690 -3.715 34.815 1.00 34.97 C +ATOM 505 OG SER A 104 26.851 -2.594 34.861 1.00 32.50 O +ATOM 506 N GLN A 105 24.738 -4.710 33.688 1.00 33.58 N +ATOM 507 CA GLN A 105 23.379 -5.271 33.864 1.00 34.74 C +ATOM 508 C GLN A 105 22.822 -5.619 32.479 1.00 33.32 C +ATOM 509 O GLN A 105 21.704 -5.227 32.134 1.00 33.94 O +ATOM 510 CB GLN A 105 22.440 -4.303 34.576 1.00 35.30 C +ATOM 511 CG GLN A 105 22.869 -3.871 35.992 1.00 40.52 C +ATOM 512 CD GLN A 105 22.443 -4.792 37.131 0.20 36.51 C +ATOM 513 OE1 GLN A 105 21.599 -5.671 36.976 0.20 33.69 O +ATOM 514 NE2 GLN A 105 23.026 -4.564 38.301 0.20 37.28 N +ATOM 515 N GLY A 106 23.634 -6.255 31.647 1.00 32.83 N +ATOM 516 CA GLY A 106 23.270 -6.479 30.233 1.00 32.65 C +ATOM 517 C GLY A 106 22.915 -5.183 29.536 1.00 31.93 C +ATOM 518 O GLY A 106 23.518 -4.141 29.824 1.00 31.23 O +ATOM 519 N CYS A 107 21.836 -5.170 28.727 1.00 31.28 N +ATOM 520 CA CYS A 107 21.536 -3.985 27.921 1.00 31.10 C +ATOM 521 C CYS A 107 20.893 -2.884 28.746 1.00 30.06 C +ATOM 522 O CYS A 107 20.808 -1.737 28.305 1.00 30.71 O +ATOM 523 CB CYS A 107 20.686 -4.388 26.691 1.00 31.45 C +ATOM 524 SG CYS A 107 21.621 -5.612 25.696 1.00 35.89 S +ATOM 525 N GLU A 108 20.456 -3.245 29.957 1.00 30.28 N +ATOM 526 CA GLU A 108 19.742 -2.317 30.840 1.00 33.01 C +ATOM 527 C GLU A 108 20.675 -1.177 31.290 1.00 33.00 C +ATOM 528 O GLU A 108 20.263 -0.027 31.339 1.00 36.03 O +ATOM 529 CB GLU A 108 19.146 -3.079 32.026 1.00 33.57 C +ATOM 530 CG GLU A 108 18.312 -4.330 31.568 1.00 35.62 C +ATOM 531 CD GLU A 108 17.151 -3.865 30.731 1.00 41.34 C +ATOM 532 OE1 GLU A 108 16.494 -2.869 31.137 1.00 46.25 O +ATOM 533 OE2 GLU A 108 16.930 -4.417 29.648 1.00 42.41 O +ATOM 534 N SER A 109 21.943 -1.477 31.460 1.00 29.78 N +ATOM 535 CA SER A 109 22.909 -0.543 32.045 1.00 29.24 C +ATOM 536 C SER A 109 23.469 0.420 30.987 1.00 28.44 C +ATOM 537 O SER A 109 24.302 1.283 31.335 1.00 27.59 O +ATOM 538 CB SER A 109 24.072 -1.272 32.743 1.00 29.87 C +ATOM 539 OG SER A 109 24.488 -2.405 32.044 1.00 30.76 O +ATOM 540 N THR A 110 23.037 0.287 29.734 1.00 27.87 N +ATOM 541 CA THR A 110 23.528 1.177 28.673 1.00 27.07 C +ATOM 542 C THR A 110 22.880 2.551 28.716 1.00 27.41 C +ATOM 543 O THR A 110 23.291 3.424 27.983 1.00 27.84 O +ATOM 544 CB THR A 110 23.377 0.570 27.282 1.00 27.17 C +ATOM 545 OG1 THR A 110 21.991 0.419 26.967 1.00 28.32 O +ATOM 546 CG2 THR A 110 24.100 -0.814 27.204 1.00 26.95 C +ATOM 547 N GLY A 111 21.878 2.749 29.580 1.00 25.60 N +ATOM 548 CA GLY A 111 21.323 4.058 29.719 1.00 27.07 C +ATOM 549 C GLY A 111 20.316 4.413 28.609 1.00 26.89 C +ATOM 550 O GLY A 111 19.845 3.552 27.873 1.00 28.07 O +ATOM 551 N PRO A 112 19.977 5.696 28.501 1.00 28.62 N +ATOM 552 CA PRO A 112 19.012 6.113 27.498 1.00 28.20 C +ATOM 553 C PRO A 112 19.654 6.338 26.151 1.00 27.96 C +ATOM 554 O PRO A 112 20.881 6.124 26.062 1.00 27.60 O +ATOM 555 CB PRO A 112 18.537 7.447 28.038 1.00 29.96 C +ATOM 556 CG PRO A 112 19.709 7.984 28.719 1.00 30.27 C +ATOM 557 CD PRO A 112 20.429 6.825 29.311 1.00 28.94 C +ATOM 558 N HIS A 113 18.873 6.792 25.147 1.00 26.94 N +ATOM 559 CA HIS A 113 19.440 7.030 23.809 1.00 27.49 C +ATOM 560 C HIS A 113 20.524 8.096 23.995 1.00 26.29 C +ATOM 561 O HIS A 113 20.334 9.051 24.776 1.00 27.77 O +ATOM 562 CB HIS A 113 18.371 7.500 22.826 1.00 26.87 C +ATOM 563 CG HIS A 113 17.413 6.428 22.454 1.00 27.94 C +ATOM 564 ND1 HIS A 113 16.577 6.513 21.361 1.00 27.48 N +ATOM 565 CD2 HIS A 113 17.182 5.212 23.027 1.00 30.70 C +ATOM 566 CE1 HIS A 113 15.861 5.402 21.284 1.00 31.26 C +ATOM 567 NE2 HIS A 113 16.231 4.585 22.261 1.00 34.04 N +ATOM 568 N TYR A 114 21.652 7.958 23.297 1.00 27.15 N +ATOM 569 CA TYR A 114 22.710 8.929 23.416 1.00 25.11 C +ATOM 570 C TYR A 114 22.189 10.261 22.859 1.00 25.44 C +ATOM 571 O TYR A 114 21.711 10.328 21.737 1.00 26.37 O +ATOM 572 CB TYR A 114 23.962 8.434 22.671 1.00 26.54 C +ATOM 573 CG TYR A 114 25.079 9.432 22.617 1.00 25.03 C +ATOM 574 CD1 TYR A 114 25.526 10.070 23.771 1.00 29.00 C +ATOM 575 CD2 TYR A 114 25.747 9.716 21.408 1.00 29.70 C +ATOM 576 CE1 TYR A 114 26.593 10.928 23.729 1.00 28.74 C +ATOM 577 CE2 TYR A 114 26.815 10.598 21.357 1.00 27.56 C +ATOM 578 CZ TYR A 114 27.240 11.208 22.520 1.00 29.13 C +ATOM 579 OH TYR A 114 28.268 12.157 22.527 1.00 30.43 O +ATOM 580 N ASN A 115 22.338 11.337 23.614 1.00 25.84 N +ATOM 581 CA ASN A 115 21.600 12.541 23.328 1.00 25.42 C +ATOM 582 C ASN A 115 22.420 13.801 23.675 1.00 26.19 C +ATOM 583 O ASN A 115 22.037 14.619 24.530 1.00 27.15 O +ATOM 584 CB ASN A 115 20.235 12.480 24.055 1.00 25.25 C +ATOM 585 CG ASN A 115 19.294 13.612 23.657 1.00 27.01 C +ATOM 586 OD1 ASN A 115 19.509 14.312 22.668 1.00 26.62 O +ATOM 587 ND2 ASN A 115 18.203 13.748 24.410 1.00 27.88 N +ATOM 588 N PRO A 116 23.578 13.942 23.034 1.00 27.35 N +ATOM 589 CA PRO A 116 24.493 15.011 23.466 1.00 27.98 C +ATOM 590 C PRO A 116 23.937 16.420 23.237 1.00 28.44 C +ATOM 591 O PRO A 116 24.400 17.376 23.882 1.00 27.96 O +ATOM 592 CB PRO A 116 25.734 14.776 22.603 1.00 28.76 C +ATOM 593 CG PRO A 116 25.213 14.150 21.357 1.00 29.35 C +ATOM 594 CD PRO A 116 24.124 13.193 21.892 1.00 28.62 C +ATOM 595 N LEU A 117 22.964 16.563 22.338 1.00 29.18 N +ATOM 596 CA LEU A 117 22.357 17.884 22.048 1.00 29.83 C +ATOM 597 C LEU A 117 21.001 18.126 22.734 1.00 29.97 C +ATOM 598 O LEU A 117 20.383 19.136 22.515 1.00 29.53 O +ATOM 599 CB LEU A 117 22.240 18.094 20.523 1.00 30.68 C +ATOM 600 CG LEU A 117 23.551 18.097 19.713 1.00 31.40 C +ATOM 601 CD1 LEU A 117 23.281 18.226 18.247 1.00 33.04 C +ATOM 602 CD2 LEU A 117 24.447 19.211 20.168 1.00 32.30 C +ATOM 603 N ALA A 118 20.567 17.187 23.571 1.00 29.71 N +ATOM 604 CA ALA A 118 19.381 17.337 24.428 1.00 28.69 C +ATOM 605 C ALA A 118 18.120 17.630 23.605 1.00 27.78 C +ATOM 606 O ALA A 118 17.421 18.643 23.819 1.00 27.15 O +ATOM 607 CB ALA A 118 19.610 18.372 25.507 1.00 29.44 C +ATOM 608 N VAL A 119 17.841 16.735 22.665 1.00 27.04 N +ATOM 609 CA VAL A 119 16.691 16.833 21.744 1.00 26.35 C +ATOM 610 C VAL A 119 15.771 15.596 21.914 1.00 27.19 C +ATOM 611 O VAL A 119 16.226 14.575 22.449 1.00 26.06 O +ATOM 612 CB VAL A 119 17.175 16.936 20.243 1.00 25.91 C +ATOM 613 CG1 VAL A 119 17.930 18.273 19.971 1.00 29.58 C +ATOM 614 CG2 VAL A 119 17.986 15.740 19.816 1.00 27.41 C +ATOM 615 N PRO A 120 14.517 15.697 21.455 1.00 26.73 N +ATOM 616 CA PRO A 120 13.646 14.528 21.546 1.00 27.31 C +ATOM 617 C PRO A 120 13.945 13.472 20.517 1.00 27.57 C +ATOM 618 O PRO A 120 14.524 13.741 19.445 1.00 27.81 O +ATOM 619 CB PRO A 120 12.253 15.119 21.359 1.00 27.57 C +ATOM 620 CG PRO A 120 12.455 16.305 20.514 1.00 28.29 C +ATOM 621 CD PRO A 120 13.783 16.878 20.946 1.00 26.78 C +ATOM 622 N HIS A 121 13.591 12.234 20.852 1.00 26.69 N +ATOM 623 CA HIS A 121 13.507 11.200 19.863 1.00 27.08 C +ATOM 624 C HIS A 121 12.495 11.573 18.790 1.00 26.51 C +ATOM 625 O HIS A 121 11.394 12.094 19.117 1.00 26.89 O +ATOM 626 CB HIS A 121 13.065 9.887 20.544 1.00 26.02 C +ATOM 627 CG HIS A 121 13.125 8.684 19.647 1.00 26.26 C +ATOM 628 ND1 HIS A 121 14.276 7.951 19.418 1.00 24.37 N +ATOM 629 CD2 HIS A 121 12.140 8.083 18.936 1.00 30.70 C +ATOM 630 CE1 HIS A 121 13.994 6.976 18.573 1.00 26.86 C +ATOM 631 NE2 HIS A 121 12.694 7.001 18.301 1.00 25.87 N +ATOM 632 N PRO A 122 12.801 11.286 17.493 1.00 27.54 N +ATOM 633 CA PRO A 122 13.916 10.547 16.908 1.00 27.55 C +ATOM 634 C PRO A 122 15.012 11.410 16.333 1.00 27.61 C +ATOM 635 O PRO A 122 15.538 11.104 15.225 1.00 29.87 O +ATOM 636 CB PRO A 122 13.216 9.754 15.800 1.00 28.69 C +ATOM 637 CG PRO A 122 12.252 10.731 15.245 1.00 27.75 C +ATOM 638 CD PRO A 122 11.845 11.645 16.437 1.00 28.46 C +ATOM 639 N GLN A 123 15.348 12.507 17.033 1.00 27.73 N +ATOM 640 CA GLN A 123 16.431 13.396 16.607 1.00 27.66 C +ATOM 641 C GLN A 123 17.812 13.042 17.168 1.00 29.03 C +ATOM 642 O GLN A 123 18.777 13.743 16.934 1.00 27.67 O +ATOM 643 CB GLN A 123 16.062 14.856 16.929 1.00 29.46 C +ATOM 644 CG GLN A 123 14.752 15.349 16.350 1.00 30.58 C +ATOM 645 CD GLN A 123 14.444 16.783 16.831 1.00 33.24 C +ATOM 646 OE1 GLN A 123 15.368 17.605 17.044 1.00 33.67 O +ATOM 647 NE2 GLN A 123 13.159 17.073 17.050 1.00 34.09 N +ATOM 648 N HIS A 124 17.916 11.918 17.880 1.00 27.47 N +ATOM 649 CA HIS A 124 19.177 11.543 18.519 1.00 26.37 C +ATOM 650 C HIS A 124 20.113 11.039 17.379 1.00 28.12 C +ATOM 651 O HIS A 124 19.635 10.468 16.407 1.00 28.49 O +ATOM 652 CB HIS A 124 18.960 10.425 19.537 1.00 27.16 C +ATOM 653 CG HIS A 124 17.945 10.705 20.590 1.00 24.80 C +ATOM 654 ND1 HIS A 124 17.010 9.752 20.964 1.00 23.31 N +ATOM 655 CD2 HIS A 124 17.689 11.816 21.322 1.00 27.79 C +ATOM 656 CE1 HIS A 124 16.248 10.274 21.921 1.00 25.15 C +ATOM 657 NE2 HIS A 124 16.643 11.517 22.162 1.00 26.60 N +ATOM 658 N PRO A 125 21.427 11.219 17.530 1.00 28.02 N +ATOM 659 CA PRO A 125 22.295 10.927 16.409 1.00 29.70 C +ATOM 660 C PRO A 125 22.341 9.456 16.054 1.00 29.45 C +ATOM 661 O PRO A 125 22.517 9.140 14.878 1.00 30.89 O +ATOM 662 CB PRO A 125 23.664 11.397 16.901 1.00 28.41 C +ATOM 663 CG PRO A 125 23.585 11.407 18.360 1.00 29.83 C +ATOM 664 CD PRO A 125 22.177 11.816 18.650 1.00 29.20 C +ATOM 665 N GLY A 126 22.092 8.606 17.049 1.00 29.35 N +ATOM 666 CA GLY A 126 22.087 7.140 16.901 1.00 29.22 C +ATOM 667 C GLY A 126 20.715 6.533 16.713 1.00 29.00 C +ATOM 668 O GLY A 126 20.547 5.292 16.843 1.00 28.42 O +ATOM 669 N ASP A 127 19.717 7.355 16.376 1.00 28.68 N +ATOM 670 CA ASP A 127 18.397 6.857 16.044 1.00 28.48 C +ATOM 671 C ASP A 127 18.385 6.251 14.634 1.00 28.93 C +ATOM 672 O ASP A 127 17.999 6.928 13.688 1.00 28.52 O +ATOM 673 CB ASP A 127 17.362 7.961 16.146 1.00 28.32 C +ATOM 674 CG ASP A 127 17.059 8.309 17.554 1.00 27.40 C +ATOM 675 OD1 ASP A 127 17.241 7.431 18.447 1.00 27.06 O +ATOM 676 OD2 ASP A 127 16.597 9.472 17.800 1.00 27.14 O +ATOM 677 N PHE A 128 18.758 4.970 14.528 1.00 28.72 N +ATOM 678 CA PHE A 128 18.911 4.324 13.223 1.00 29.91 C +ATOM 679 C PHE A 128 17.638 3.848 12.577 1.00 29.91 C +ATOM 680 O PHE A 128 17.655 3.536 11.388 1.00 31.58 O +ATOM 681 CB PHE A 128 19.845 3.144 13.298 1.00 28.78 C +ATOM 682 CG PHE A 128 21.250 3.480 13.810 1.00 29.43 C +ATOM 683 CD1 PHE A 128 21.819 4.714 13.575 1.00 31.15 C +ATOM 684 CD2 PHE A 128 22.009 2.502 14.434 1.00 28.57 C +ATOM 685 CE1 PHE A 128 23.113 4.983 13.984 1.00 32.90 C +ATOM 686 CE2 PHE A 128 23.273 2.795 14.906 1.00 31.19 C +ATOM 687 CZ PHE A 128 23.824 4.015 14.643 1.00 30.96 C +ATOM 688 N GLY A 129 16.549 3.775 13.340 1.00 30.20 N +ATOM 689 CA GLY A 129 15.251 3.461 12.831 1.00 28.70 C +ATOM 690 C GLY A 129 14.942 1.964 12.888 1.00 28.60 C +ATOM 691 O GLY A 129 15.511 1.227 13.694 1.00 28.57 O +ATOM 692 N ASN A 130 13.998 1.555 12.044 1.00 27.93 N +ATOM 693 CA ASN A 130 13.539 0.184 11.979 1.00 28.54 C +ATOM 694 C ASN A 130 14.196 -0.636 10.893 1.00 28.11 C +ATOM 695 O ASN A 130 14.482 -0.110 9.807 1.00 28.41 O +ATOM 696 CB ASN A 130 12.036 0.220 11.716 1.00 29.34 C +ATOM 697 CG ASN A 130 11.266 0.893 12.840 1.00 30.01 C +ATOM 698 OD1 ASN A 130 10.434 1.834 12.616 1.00 32.14 O +ATOM 699 ND2 ASN A 130 11.530 0.439 14.034 1.00 28.10 N +ATOM 700 N PHE A 131 14.275 -1.940 11.136 1.00 27.45 N +ATOM 701 CA PHE A 131 14.903 -2.886 10.251 1.00 28.43 C +ATOM 702 C PHE A 131 13.982 -4.066 10.051 1.00 28.78 C +ATOM 703 O PHE A 131 13.377 -4.529 11.022 1.00 29.35 O +ATOM 704 CB PHE A 131 16.255 -3.329 10.853 1.00 28.10 C +ATOM 705 CG PHE A 131 17.280 -2.201 10.902 1.00 28.72 C +ATOM 706 CD1 PHE A 131 18.254 -2.073 9.905 1.00 29.22 C +ATOM 707 CD2 PHE A 131 17.257 -1.278 11.935 1.00 29.89 C +ATOM 708 CE1 PHE A 131 19.115 -1.015 9.927 1.00 27.44 C +ATOM 709 CE2 PHE A 131 18.125 -0.225 11.964 1.00 29.59 C +ATOM 710 CZ PHE A 131 19.097 -0.107 10.999 1.00 27.57 C +ATOM 711 N ALA A 132 13.912 -4.540 8.819 1.00 29.21 N +ATOM 712 CA ALA A 132 13.000 -5.609 8.458 1.00 29.47 C +ATOM 713 C ALA A 132 13.624 -6.943 8.778 1.00 30.65 C +ATOM 714 O ALA A 132 14.741 -7.231 8.374 1.00 33.43 O +ATOM 715 CB ALA A 132 12.635 -5.552 6.992 1.00 29.19 C +ATOM 716 N VAL A 133 12.963 -7.719 9.609 1.00 30.67 N +ATOM 717 CA VAL A 133 13.409 -9.088 9.883 1.00 29.92 C +ATOM 718 C VAL A 133 12.557 -10.062 9.085 1.00 30.47 C +ATOM 719 O VAL A 133 11.331 -9.941 9.056 1.00 30.87 O +ATOM 720 CB VAL A 133 13.280 -9.381 11.398 1.00 30.65 C +ATOM 721 CG1 VAL A 133 13.667 -10.838 11.708 1.00 31.43 C +ATOM 722 CG2 VAL A 133 14.104 -8.352 12.194 1.00 30.05 C +ATOM 723 N ARG A 134 13.211 -10.985 8.390 1.00 29.21 N +ATOM 724 CA ARG A 134 12.556 -11.969 7.555 1.00 29.83 C +ATOM 725 C ARG A 134 13.184 -13.330 7.852 1.00 29.76 C +ATOM 726 O ARG A 134 14.413 -13.488 7.871 1.00 28.71 O +ATOM 727 CB ARG A 134 12.720 -11.578 6.082 1.00 30.61 C +ATOM 728 CG ARG A 134 12.016 -10.289 5.706 0.20 29.86 C +ATOM 729 CD ARG A 134 12.596 -9.656 4.450 0.20 31.11 C +ATOM 730 NE ARG A 134 12.175 -8.262 4.343 0.20 31.31 N +ATOM 731 CZ ARG A 134 10.960 -7.861 3.975 0.20 31.25 C +ATOM 732 NH1 ARG A 134 10.018 -8.741 3.634 0.20 31.85 N +ATOM 733 NH2 ARG A 134 10.689 -6.563 3.919 0.20 31.02 N +ATOM 734 N ASP A 135 12.333 -14.275 8.219 1.00 30.81 N +ATOM 735 CA ASP A 135 12.756 -15.633 8.536 1.00 32.33 C +ATOM 736 C ASP A 135 13.887 -15.667 9.590 1.00 31.27 C +ATOM 737 O ASP A 135 14.876 -16.417 9.471 1.00 29.84 O +ATOM 738 CB ASP A 135 13.169 -16.335 7.268 1.00 33.37 C +ATOM 739 CG ASP A 135 13.281 -17.833 7.447 1.00 39.72 C +ATOM 740 OD1 ASP A 135 12.490 -18.418 8.242 1.00 45.99 O +ATOM 741 OD2 ASP A 135 14.201 -18.418 6.819 1.00 50.07 O +ATOM 742 N GLY A 136 13.762 -14.788 10.574 1.00 29.79 N +ATOM 743 CA GLY A 136 14.628 -14.793 11.715 1.00 29.94 C +ATOM 744 C GLY A 136 15.886 -13.946 11.566 1.00 29.46 C +ATOM 745 O GLY A 136 16.624 -13.807 12.534 1.00 28.19 O +ATOM 746 N SER A 137 16.123 -13.385 10.374 1.00 29.63 N +ATOM 747 CA SER A 137 17.362 -12.666 10.073 0.70 30.59 C +ATOM 748 C SER A 137 17.133 -11.236 9.608 1.00 29.72 C +ATOM 749 O SER A 137 16.087 -10.894 9.036 1.00 27.85 O +ATOM 750 CB SER A 137 18.119 -13.396 8.963 0.70 31.16 C +ATOM 751 OG SER A 137 18.248 -14.771 9.252 0.70 35.47 O +ATOM 752 N LEU A 138 18.169 -10.438 9.794 1.00 31.36 N +ATOM 753 CA LEU A 138 18.200 -9.028 9.481 1.00 32.58 C +ATOM 754 C LEU A 138 19.520 -8.820 8.721 1.00 31.86 C +ATOM 755 O LEU A 138 20.592 -9.286 9.144 1.00 30.97 O +ATOM 756 CB LEU A 138 18.215 -8.288 10.802 1.00 33.62 C +ATOM 757 CG LEU A 138 18.040 -6.782 10.916 1.00 37.76 C +ATOM 758 CD1 LEU A 138 17.485 -6.291 12.289 1.00 38.35 C +ATOM 759 CD2 LEU A 138 19.294 -6.052 10.603 1.00 31.09 C +ATOM 760 N TRP A 139 19.454 -8.153 7.567 1.00 31.57 N +ATOM 761 CA TRP A 139 20.671 -7.931 6.778 1.00 30.36 C +ATOM 762 C TRP A 139 20.437 -6.661 5.975 1.00 30.80 C +ATOM 763 O TRP A 139 19.496 -6.598 5.155 1.00 30.34 O +ATOM 764 CB TRP A 139 20.956 -9.135 5.915 1.00 31.47 C +ATOM 765 CG TRP A 139 22.271 -9.208 5.243 1.00 31.78 C +ATOM 766 CD1 TRP A 139 23.272 -10.075 5.528 1.00 33.99 C +ATOM 767 CD2 TRP A 139 22.719 -8.441 4.113 1.00 34.46 C +ATOM 768 NE1 TRP A 139 24.308 -9.905 4.661 1.00 35.17 N +ATOM 769 CE2 TRP A 139 24.005 -8.896 3.791 1.00 34.67 C +ATOM 770 CE3 TRP A 139 22.169 -7.393 3.359 1.00 33.96 C +ATOM 771 CZ2 TRP A 139 24.743 -8.360 2.744 1.00 35.80 C +ATOM 772 CZ3 TRP A 139 22.906 -6.868 2.314 1.00 35.94 C +ATOM 773 CH2 TRP A 139 24.170 -7.345 2.014 1.00 34.29 C +ATOM 774 N ARG A 140 21.190 -5.620 6.314 1.00 29.36 N +ATOM 775 CA ARG A 140 20.921 -4.282 5.766 1.00 28.30 C +ATOM 776 C ARG A 140 22.170 -3.384 5.843 1.00 26.24 C +ATOM 777 O ARG A 140 22.763 -3.260 6.906 1.00 27.57 O +ATOM 778 CB ARG A 140 19.785 -3.608 6.563 1.00 28.78 C +ATOM 779 CG ARG A 140 19.345 -2.205 6.109 1.00 30.66 C +ATOM 780 CD ARG A 140 18.838 -2.185 4.664 1.00 35.96 C +ATOM 781 NE ARG A 140 18.551 -0.830 4.131 1.00 37.50 N +ATOM 782 CZ ARG A 140 17.357 -0.287 3.950 1.00 40.47 C +ATOM 783 NH1 ARG A 140 16.256 -0.934 4.329 1.00 42.01 N +ATOM 784 NH2 ARG A 140 17.255 0.941 3.392 1.00 37.97 N +ATOM 785 N TYR A 141 22.471 -2.714 4.706 1.00 26.60 N +ATOM 786 CA TYR A 141 23.336 -1.547 4.747 1.00 26.92 C +ATOM 787 C TYR A 141 22.507 -0.305 4.907 1.00 27.28 C +ATOM 788 O TYR A 141 21.359 -0.261 4.362 1.00 27.26 O +ATOM 789 CB TYR A 141 24.095 -1.420 3.441 1.00 27.32 C +ATOM 790 CG TYR A 141 25.290 -2.300 3.302 1.00 26.26 C +ATOM 791 CD1 TYR A 141 25.192 -3.570 2.746 1.00 26.87 C +ATOM 792 CD2 TYR A 141 26.569 -1.852 3.735 1.00 27.58 C +ATOM 793 CE1 TYR A 141 26.320 -4.402 2.630 1.00 27.43 C +ATOM 794 CE2 TYR A 141 27.663 -2.664 3.621 1.00 27.00 C +ATOM 795 CZ TYR A 141 27.541 -3.915 3.031 1.00 26.67 C +ATOM 796 OH TYR A 141 28.688 -4.676 2.891 1.00 27.31 O +ATOM 797 N ARG A 142 23.032 0.704 5.611 1.00 27.98 N +ATOM 798 CA ARG A 142 22.404 2.020 5.701 0.50 27.74 C +ATOM 799 C ARG A 142 23.435 3.114 5.518 1.00 28.73 C +ATOM 800 O ARG A 142 24.603 2.946 5.886 1.00 30.18 O +ATOM 801 CB ARG A 142 21.714 2.198 7.044 0.50 28.70 C +ATOM 802 CG ARG A 142 20.540 1.246 7.252 0.50 26.18 C +ATOM 803 CD ARG A 142 19.292 1.718 6.531 0.50 27.63 C +ATOM 804 NE ARG A 142 18.991 3.069 7.001 0.50 26.59 N +ATOM 805 CZ ARG A 142 18.418 3.357 8.161 0.50 27.50 C +ATOM 806 NH1 ARG A 142 17.948 2.398 8.939 0.50 28.78 N +ATOM 807 NH2 ARG A 142 18.281 4.624 8.520 0.50 26.36 N +ATOM 808 N ALA A 143 23.025 4.223 4.938 1.00 26.82 N +ATOM 809 CA ALA A 143 23.890 5.372 4.675 1.00 27.02 C +ATOM 810 C ALA A 143 23.208 6.624 5.208 1.00 29.12 C +ATOM 811 O ALA A 143 21.997 6.594 5.513 1.00 30.97 O +ATOM 812 CB ALA A 143 24.172 5.535 3.153 1.00 28.59 C +ATOM 813 N GLY A 144 23.963 7.713 5.323 1.00 29.19 N +ATOM 814 CA GLY A 144 23.364 9.022 5.650 1.00 30.84 C +ATOM 815 C GLY A 144 22.966 9.079 7.117 1.00 31.58 C +ATOM 816 O GLY A 144 22.150 9.900 7.519 1.00 32.20 O +ATOM 817 N LEU A 145 23.546 8.210 7.932 1.00 30.87 N +ATOM 818 CA LEU A 145 23.278 8.248 9.376 1.00 30.72 C +ATOM 819 C LEU A 145 23.880 9.523 10.014 1.00 30.97 C +ATOM 820 O LEU A 145 24.933 10.026 9.625 1.00 31.61 O +ATOM 821 CB LEU A 145 23.752 6.964 10.042 1.00 30.79 C +ATOM 822 CG LEU A 145 23.110 5.691 9.480 1.00 31.27 C +ATOM 823 CD1 LEU A 145 23.730 4.472 10.110 1.00 35.37 C +ATOM 824 CD2 LEU A 145 21.533 5.661 9.645 1.00 35.60 C +ATOM 825 N ALA A 146 23.214 9.982 11.060 1.00 31.59 N +ATOM 826 CA ALA A 146 23.565 11.217 11.732 1.00 31.83 C +ATOM 827 C ALA A 146 24.711 11.035 12.713 1.00 31.71 C +ATOM 828 O ALA A 146 25.294 12.025 13.122 1.00 33.37 O +ATOM 829 CB ALA A 146 22.312 11.749 12.527 1.00 33.18 C +ATOM 830 N ALA A 147 25.052 9.801 13.091 1.00 28.56 N +ATOM 831 CA ALA A 147 26.036 9.592 14.165 1.00 27.32 C +ATOM 832 C ALA A 147 27.459 9.767 13.602 1.00 27.00 C +ATOM 833 O ALA A 147 27.642 9.848 12.369 1.00 28.23 O +ATOM 834 CB ALA A 147 25.880 8.208 14.825 1.00 28.07 C +ATOM 835 N SER A 148 28.451 9.857 14.497 1.00 27.62 N +ATOM 836 CA SER A 148 29.839 10.035 14.105 1.00 28.10 C +ATOM 837 C SER A 148 30.752 9.114 14.893 1.00 28.11 C +ATOM 838 O SER A 148 30.444 8.754 16.025 1.00 28.29 O +ATOM 839 CB SER A 148 30.310 11.477 14.300 1.00 29.67 C +ATOM 840 OG SER A 148 31.615 11.671 13.747 1.00 32.99 O +ATOM 841 N LEU A 149 31.884 8.756 14.274 1.00 28.49 N +ATOM 842 CA LEU A 149 32.957 7.990 14.962 1.00 28.36 C +ATOM 843 C LEU A 149 34.041 8.931 15.489 1.00 30.10 C +ATOM 844 O LEU A 149 35.070 8.510 15.979 1.00 31.56 O +ATOM 845 CB LEU A 149 33.555 6.942 13.979 1.00 27.29 C +ATOM 846 CG LEU A 149 32.592 5.886 13.451 1.00 27.85 C +ATOM 847 CD1 LEU A 149 33.304 4.935 12.451 1.00 29.27 C +ATOM 848 CD2 LEU A 149 31.837 5.183 14.610 1.00 32.33 C +ATOM 849 N ALA A 150 33.893 10.226 15.232 1.00 30.68 N +ATOM 850 CA ALA A 150 34.921 11.198 15.551 1.00 32.08 C +ATOM 851 C ALA A 150 34.283 12.331 16.323 1.00 31.88 C +ATOM 852 O ALA A 150 33.078 12.502 16.282 1.00 33.05 O +ATOM 853 CB ALA A 150 35.581 11.741 14.238 1.00 32.03 C +ATOM 854 N GLY A 151 35.109 13.117 17.013 1.00 32.84 N +ATOM 855 CA GLY A 151 34.658 14.399 17.554 1.00 33.06 C +ATOM 856 C GLY A 151 33.961 14.228 18.895 1.00 32.67 C +ATOM 857 O GLY A 151 33.908 13.134 19.496 1.00 32.80 O +ATOM 858 N PRO A 152 33.419 15.327 19.405 1.00 32.57 N +ATOM 859 CA PRO A 152 32.849 15.309 20.739 1.00 31.81 C +ATOM 860 C PRO A 152 31.688 14.380 20.889 1.00 31.05 C +ATOM 861 O PRO A 152 31.457 13.913 22.008 1.00 32.15 O +ATOM 862 CB PRO A 152 32.378 16.772 20.953 1.00 32.39 C +ATOM 863 CG PRO A 152 32.969 17.525 19.929 1.00 33.15 C +ATOM 864 CD PRO A 152 33.299 16.637 18.768 1.00 32.92 C +ATOM 865 N HIS A 153 30.953 14.130 19.800 1.00 28.87 N +ATOM 866 CA HIS A 153 29.763 13.286 19.843 1.00 28.72 C +ATOM 867 C HIS A 153 30.002 11.913 19.296 1.00 27.44 C +ATOM 868 O HIS A 153 29.057 11.231 18.915 1.00 28.03 O +ATOM 869 CB HIS A 153 28.597 13.935 19.099 1.00 28.91 C +ATOM 870 CG HIS A 153 28.261 15.258 19.662 1.00 31.52 C +ATOM 871 ND1 HIS A 153 27.563 16.219 18.963 1.00 36.96 N +ATOM 872 CD2 HIS A 153 28.604 15.808 20.845 1.00 33.82 C +ATOM 873 CE1 HIS A 153 27.460 17.299 19.720 1.00 38.75 C +ATOM 874 NE2 HIS A 153 28.076 17.071 20.868 1.00 34.57 N +ATOM 875 N SER A 154 31.225 11.441 19.418 1.00 27.85 N +ATOM 876 CA SER A 154 31.570 10.112 18.896 1.00 27.23 C +ATOM 877 C SER A 154 30.786 9.061 19.618 1.00 27.04 C +ATOM 878 O SER A 154 30.579 9.173 20.825 1.00 28.85 O +ATOM 879 CB SER A 154 33.071 9.834 19.104 1.00 28.94 C +ATOM 880 OG SER A 154 33.381 8.470 18.711 1.00 27.67 O +ATOM 881 N ILE A 155 30.353 8.031 18.887 1.00 27.52 N +ATOM 882 CA ILE A 155 29.644 6.879 19.476 1.00 27.73 C +ATOM 883 C ILE A 155 30.622 5.758 19.818 1.00 26.69 C +ATOM 884 O ILE A 155 30.224 4.701 20.311 1.00 26.53 O +ATOM 885 CB ILE A 155 28.513 6.365 18.546 1.00 27.69 C +ATOM 886 CG1 ILE A 155 29.038 5.816 17.199 1.00 25.67 C +ATOM 887 CG2 ILE A 155 27.428 7.487 18.328 1.00 26.95 C +ATOM 888 CD1 ILE A 155 27.956 4.978 16.394 1.00 26.69 C +ATOM 889 N VAL A 156 31.890 5.960 19.507 1.00 26.83 N +ATOM 890 CA VAL A 156 32.899 4.949 19.909 1.00 26.83 C +ATOM 891 C VAL A 156 32.855 4.783 21.425 1.00 25.55 C +ATOM 892 O VAL A 156 32.889 5.783 22.187 1.00 25.23 O +ATOM 893 CB VAL A 156 34.291 5.296 19.374 1.00 26.88 C +ATOM 894 CG1 VAL A 156 35.394 4.338 20.002 1.00 26.11 C +ATOM 895 CG2 VAL A 156 34.315 5.205 17.839 1.00 25.92 C +ATOM 896 N GLY A 157 32.804 3.531 21.913 1.00 25.68 N +ATOM 897 CA GLY A 157 32.743 3.328 23.339 1.00 25.28 C +ATOM 898 C GLY A 157 31.329 3.374 23.920 1.00 24.10 C +ATOM 899 O GLY A 157 31.121 3.107 25.118 1.00 26.53 O +ATOM 900 N ARG A 158 30.352 3.697 23.064 1.00 24.11 N +ATOM 901 CA ARG A 158 28.920 3.660 23.464 1.00 25.73 C +ATOM 902 C ARG A 158 28.291 2.372 23.054 1.00 27.59 C +ATOM 903 O ARG A 158 28.992 1.462 22.641 1.00 28.73 O +ATOM 904 CB ARG A 158 28.183 4.905 22.984 1.00 25.59 C +ATOM 905 CG ARG A 158 28.958 6.175 23.369 1.00 26.68 C +ATOM 906 CD ARG A 158 28.244 7.458 23.137 1.00 26.00 C +ATOM 907 NE ARG A 158 29.067 8.597 23.523 1.00 28.34 N +ATOM 908 CZ ARG A 158 29.162 9.102 24.755 1.00 28.43 C +ATOM 909 NH1 ARG A 158 28.439 8.649 25.764 1.00 26.38 N +ATOM 910 NH2 ARG A 158 29.975 10.134 24.981 1.00 29.36 N +ATOM 911 N ALA A 159 26.976 2.243 23.174 1.00 28.60 N +ATOM 912 CA ALA A 159 26.305 0.933 22.981 1.00 25.93 C +ATOM 913 C ALA A 159 25.384 0.970 21.784 1.00 27.26 C +ATOM 914 O ALA A 159 24.709 1.973 21.544 1.00 27.80 O +ATOM 915 CB ALA A 159 25.477 0.509 24.272 1.00 26.47 C +ATOM 916 N VAL A 160 25.325 -0.116 21.017 1.00 26.61 N +ATOM 917 CA VAL A 160 24.261 -0.299 20.043 1.00 26.71 C +ATOM 918 C VAL A 160 23.309 -1.258 20.734 1.00 27.59 C +ATOM 919 O VAL A 160 23.738 -2.271 21.314 1.00 26.92 O +ATOM 920 CB VAL A 160 24.743 -0.856 18.665 1.00 27.77 C +ATOM 921 CG1 VAL A 160 23.561 -1.345 17.846 1.00 28.58 C +ATOM 922 CG2 VAL A 160 25.584 0.245 17.920 1.00 26.40 C +ATOM 923 N VAL A 161 22.032 -0.923 20.721 1.00 25.67 N +ATOM 924 CA VAL A 161 20.991 -1.744 21.304 1.00 26.55 C +ATOM 925 C VAL A 161 19.918 -2.129 20.275 1.00 24.95 C +ATOM 926 O VAL A 161 19.407 -1.266 19.526 1.00 26.53 O +ATOM 927 CB VAL A 161 20.315 -1.060 22.521 1.00 26.56 C +ATOM 928 CG1 VAL A 161 19.189 -2.000 23.106 1.00 27.26 C +ATOM 929 CG2 VAL A 161 21.390 -0.770 23.631 1.00 26.25 C +ATOM 930 N VAL A 162 19.614 -3.427 20.222 1.00 26.47 N +ATOM 931 CA VAL A 162 18.590 -3.978 19.343 1.00 26.83 C +ATOM 932 C VAL A 162 17.343 -4.290 20.192 1.00 26.78 C +ATOM 933 O VAL A 162 17.442 -4.909 21.269 1.00 26.15 O +ATOM 934 CB VAL A 162 19.051 -5.333 18.730 1.00 28.78 C +ATOM 935 CG1 VAL A 162 17.973 -5.920 17.849 1.00 29.23 C +ATOM 936 CG2 VAL A 162 20.339 -5.135 17.913 1.00 28.79 C +ATOM 937 N HIS A 163 16.180 -3.766 19.758 1.00 26.63 N +ATOM 938 CA HIS A 163 14.904 -3.877 20.509 1.00 27.18 C +ATOM 939 C HIS A 163 13.968 -4.917 19.985 1.00 26.14 C +ATOM 940 O HIS A 163 14.105 -5.403 18.877 1.00 27.76 O +ATOM 941 CB HIS A 163 14.200 -2.546 20.506 1.00 28.09 C +ATOM 942 CG HIS A 163 14.899 -1.492 21.280 1.00 26.86 C +ATOM 943 ND1 HIS A 163 14.627 -1.255 22.598 1.00 29.10 N +ATOM 944 CD2 HIS A 163 15.861 -0.589 20.916 1.00 29.74 C +ATOM 945 CE1 HIS A 163 15.332 -0.212 23.010 1.00 32.47 C +ATOM 946 NE2 HIS A 163 16.143 0.153 22.030 1.00 29.33 N +ATOM 947 N ALA A 164 13.029 -5.306 20.835 1.00 26.86 N +ATOM 948 CA ALA A 164 11.992 -6.278 20.502 1.00 26.28 C +ATOM 949 C ALA A 164 10.920 -5.721 19.589 1.00 27.25 C +ATOM 950 O ALA A 164 10.210 -6.483 18.915 1.00 27.98 O +ATOM 951 CB ALA A 164 11.320 -6.779 21.774 1.00 26.46 C +ATOM 952 N GLY A 165 10.761 -4.420 19.631 1.00 27.05 N +ATOM 953 CA GLY A 165 9.686 -3.758 18.915 1.00 27.60 C +ATOM 954 C GLY A 165 10.102 -2.739 17.881 1.00 26.90 C +ATOM 955 O GLY A 165 11.299 -2.461 17.670 1.00 27.78 O +ATOM 956 N GLU A 166 9.045 -2.198 17.260 1.00 28.64 N +ATOM 957 CA GLU A 166 9.170 -1.201 16.217 1.00 29.53 C +ATOM 958 C GLU A 166 9.214 0.204 16.872 1.00 28.23 C +ATOM 959 O GLU A 166 8.479 0.514 17.824 1.00 30.95 O +ATOM 960 CB GLU A 166 7.957 -1.296 15.298 1.00 29.79 C +ATOM 961 CG GLU A 166 8.024 -0.377 14.119 1.00 34.91 C +ATOM 962 CD GLU A 166 6.862 -0.550 13.157 1.00 39.32 C +ATOM 963 OE1 GLU A 166 6.297 -1.653 13.075 1.00 42.29 O +ATOM 964 OE2 GLU A 166 6.516 0.450 12.497 1.00 47.40 O +ATOM 965 N ASP A 167 9.998 1.069 16.270 1.00 28.48 N +ATOM 966 CA ASP A 167 10.189 2.438 16.676 1.00 27.79 C +ATOM 967 C ASP A 167 9.053 3.254 16.037 1.00 28.01 C +ATOM 968 O ASP A 167 8.858 3.255 14.810 1.00 29.54 O +ATOM 969 CB ASP A 167 11.532 2.911 16.096 1.00 27.45 C +ATOM 970 CG ASP A 167 12.019 4.237 16.675 1.00 28.84 C +ATOM 971 OD1 ASP A 167 11.228 5.151 16.916 1.00 27.30 O +ATOM 972 OD2 ASP A 167 13.226 4.353 16.889 1.00 29.19 O +ATOM 973 N ASP A 168 8.287 3.951 16.853 1.00 27.71 N +ATOM 974 CA ASP A 168 7.172 4.721 16.330 1.00 26.73 C +ATOM 975 C ASP A 168 7.609 6.131 15.869 1.00 26.80 C +ATOM 976 O ASP A 168 6.799 6.946 15.420 1.00 26.51 O +ATOM 977 CB ASP A 168 6.020 4.724 17.322 1.00 26.49 C +ATOM 978 CG ASP A 168 6.239 5.579 18.560 1.00 27.92 C +ATOM 979 OD1 ASP A 168 7.151 6.438 18.576 1.00 27.70 O +ATOM 980 OD2 ASP A 168 5.388 5.407 19.491 1.00 29.59 O +ATOM 981 N LEU A 169 8.900 6.383 15.949 1.00 26.68 N +ATOM 982 CA LEU A 169 9.491 7.586 15.407 1.00 27.49 C +ATOM 983 C LEU A 169 8.910 8.859 15.963 1.00 27.62 C +ATOM 984 O LEU A 169 8.839 9.868 15.244 1.00 28.21 O +ATOM 985 CB LEU A 169 9.451 7.574 13.861 1.00 27.15 C +ATOM 986 CG LEU A 169 10.239 6.380 13.249 1.00 29.46 C +ATOM 987 CD1 LEU A 169 10.057 6.482 11.725 1.00 33.36 C +ATOM 988 CD2 LEU A 169 11.708 6.382 13.619 1.00 34.95 C +ATOM 989 N GLY A 170 8.497 8.832 17.232 1.00 27.29 N +ATOM 990 CA GLY A 170 7.981 10.019 17.904 1.00 28.60 C +ATOM 991 C GLY A 170 6.514 10.308 17.631 1.00 28.69 C +ATOM 992 O GLY A 170 6.015 11.367 18.010 1.00 29.63 O +ATOM 993 N ARG A 171 5.788 9.342 17.037 1.00 29.48 N +ATOM 994 CA ARG A 171 4.382 9.533 16.614 0.50 30.14 C +ATOM 995 C ARG A 171 3.353 8.844 17.513 1.00 30.00 C +ATOM 996 O ARG A 171 2.151 8.849 17.210 1.00 29.07 O +ATOM 997 CB ARG A 171 4.181 8.989 15.199 0.50 30.90 C +ATOM 998 CG ARG A 171 5.231 9.402 14.169 0.50 33.51 C +ATOM 999 CD ARG A 171 5.474 10.892 14.168 0.50 36.39 C +ATOM 1000 NE ARG A 171 5.727 11.387 12.822 0.50 40.01 N +ATOM 1001 CZ ARG A 171 6.816 11.138 12.092 0.50 42.17 C +ATOM 1002 NH1 ARG A 171 7.820 10.388 12.558 0.50 41.56 N +ATOM 1003 NH2 ARG A 171 6.910 11.672 10.876 0.50 43.72 N +ATOM 1004 N GLY A 172 3.800 8.258 18.615 1.00 29.71 N +ATOM 1005 CA GLY A 172 2.903 7.558 19.558 1.00 29.39 C +ATOM 1006 C GLY A 172 2.343 8.533 20.567 1.00 30.37 C +ATOM 1007 O GLY A 172 2.858 9.649 20.704 1.00 32.52 O +ATOM 1008 N GLY A 173 1.308 8.134 21.294 1.00 28.72 N +ATOM 1009 CA GLY A 173 0.610 9.069 22.180 1.00 28.79 C +ATOM 1010 C GLY A 173 1.041 8.993 23.629 1.00 29.41 C +ATOM 1011 O GLY A 173 0.222 9.170 24.522 1.00 31.92 O +ATOM 1012 N ASN A 174 2.320 8.770 23.880 1.00 28.02 N +ATOM 1013 CA ASN A 174 2.837 8.815 25.244 1.00 27.52 C +ATOM 1014 C ASN A 174 4.199 9.445 25.254 1.00 27.16 C +ATOM 1015 O ASN A 174 4.795 9.653 24.198 1.00 25.85 O +ATOM 1016 CB ASN A 174 2.914 7.426 25.837 1.00 26.73 C +ATOM 1017 CG ASN A 174 3.773 6.496 25.050 1.00 28.61 C +ATOM 1018 OD1 ASN A 174 4.441 6.895 24.082 1.00 28.99 O +ATOM 1019 ND2 ASN A 174 3.790 5.212 25.476 1.00 25.92 N +ATOM 1020 N GLN A 175 4.689 9.729 26.455 1.00 27.40 N +ATOM 1021 CA GLN A 175 6.047 10.297 26.602 1.00 28.52 C +ATOM 1022 C GLN A 175 7.146 9.392 26.052 1.00 27.77 C +ATOM 1023 O GLN A 175 8.094 9.840 25.430 1.00 28.38 O +ATOM 1024 CB GLN A 175 6.340 10.633 28.069 1.00 28.75 C +ATOM 1025 CG GLN A 175 7.716 11.368 28.279 1.00 30.64 C +ATOM 1026 CD GLN A 175 7.747 12.711 27.596 1.00 32.45 C +ATOM 1027 OE1 GLN A 175 6.715 13.384 27.498 1.00 32.72 O +ATOM 1028 NE2 GLN A 175 8.936 13.099 27.077 1.00 31.23 N +ATOM 1029 N ALA A 176 7.034 8.082 26.258 1.00 26.89 N +ATOM 1030 CA ALA A 176 8.030 7.205 25.727 1.00 26.19 C +ATOM 1031 C ALA A 176 8.270 7.378 24.223 1.00 25.58 C +ATOM 1032 O ALA A 176 9.367 7.200 23.740 1.00 26.22 O +ATOM 1033 CB ALA A 176 7.642 5.761 25.973 1.00 27.49 C +ATOM 1034 N SER A 177 7.224 7.682 23.468 1.00 25.15 N +ATOM 1035 CA SER A 177 7.388 7.853 22.039 1.00 25.31 C +ATOM 1036 C SER A 177 8.534 8.852 21.716 1.00 26.08 C +ATOM 1037 O SER A 177 9.337 8.593 20.787 1.00 26.08 O +ATOM 1038 CB SER A 177 6.088 8.252 21.396 1.00 25.80 C +ATOM 1039 OG SER A 177 6.292 8.373 19.997 1.00 27.62 O +ATOM 1040 N VAL A 178 8.547 9.970 22.463 1.00 26.43 N +ATOM 1041 CA VAL A 178 9.548 11.022 22.287 1.00 27.11 C +ATOM 1042 C VAL A 178 10.866 10.857 23.103 1.00 28.50 C +ATOM 1043 O VAL A 178 11.754 11.773 23.121 1.00 27.77 O +ATOM 1044 CB VAL A 178 8.914 12.428 22.451 1.00 28.05 C +ATOM 1045 CG1 VAL A 178 7.887 12.669 21.312 1.00 29.85 C +ATOM 1046 CG2 VAL A 178 8.284 12.660 23.821 1.00 28.71 C +ATOM 1047 N GLU A 179 11.007 9.679 23.746 1.00 27.28 N +ATOM 1048 CA GLU A 179 12.251 9.283 24.419 1.00 28.36 C +ATOM 1049 C GLU A 179 12.919 8.152 23.663 1.00 27.95 C +ATOM 1050 O GLU A 179 14.115 8.192 23.450 1.00 28.71 O +ATOM 1051 CB GLU A 179 11.963 8.884 25.875 1.00 27.50 C +ATOM 1052 CG GLU A 179 11.305 9.998 26.653 1.00 27.62 C +ATOM 1053 CD GLU A 179 12.218 11.190 26.933 1.00 30.25 C +ATOM 1054 OE1 GLU A 179 13.443 11.037 26.874 1.00 31.17 O +ATOM 1055 OE2 GLU A 179 11.704 12.282 27.191 1.00 29.29 O +ATOM 1056 N ASN A 180 12.143 7.120 23.290 1.00 29.25 N +ATOM 1057 CA ASN A 180 12.686 5.901 22.700 1.00 30.21 C +ATOM 1058 C ASN A 180 11.819 5.274 21.638 1.00 29.98 C +ATOM 1059 O ASN A 180 12.119 4.189 21.185 1.00 30.95 O +ATOM 1060 CB ASN A 180 12.962 4.873 23.787 1.00 32.78 C +ATOM 1061 CG ASN A 180 11.748 4.532 24.614 1.00 32.60 C +ATOM 1062 OD1 ASN A 180 10.615 4.348 24.111 1.00 33.48 O +ATOM 1063 ND2 ASN A 180 11.973 4.388 25.925 1.00 36.12 N +ATOM 1064 N GLY A 181 10.719 5.931 21.252 1.00 26.83 N +ATOM 1065 CA GLY A 181 9.923 5.461 20.139 1.00 26.19 C +ATOM 1066 C GLY A 181 9.085 4.250 20.467 1.00 25.69 C +ATOM 1067 O GLY A 181 8.544 3.619 19.534 1.00 27.12 O +ATOM 1068 N ASN A 182 8.900 3.925 21.754 1.00 24.96 N +ATOM 1069 CA ASN A 182 8.132 2.733 22.148 1.00 25.54 C +ATOM 1070 C ASN A 182 8.669 1.463 21.578 1.00 26.40 C +ATOM 1071 O ASN A 182 7.903 0.523 21.320 1.00 28.59 O +ATOM 1072 CB ASN A 182 6.640 2.889 21.835 1.00 25.04 C +ATOM 1073 CG ASN A 182 5.944 3.826 22.807 1.00 27.11 C +ATOM 1074 OD1 ASN A 182 5.915 3.558 24.016 1.00 28.03 O +ATOM 1075 ND2 ASN A 182 5.392 4.940 22.285 1.00 26.23 N +ATOM 1076 N ALA A 183 9.997 1.418 21.430 1.00 26.37 N +ATOM 1077 CA ALA A 183 10.650 0.307 20.776 1.00 27.42 C +ATOM 1078 C ALA A 183 10.683 -0.942 21.645 1.00 28.05 C +ATOM 1079 O ALA A 183 11.017 -2.025 21.161 1.00 29.03 O +ATOM 1080 CB ALA A 183 12.036 0.698 20.320 1.00 27.81 C +ATOM 1081 N GLY A 184 10.314 -0.815 22.907 1.00 27.51 N +ATOM 1082 CA GLY A 184 10.190 -1.985 23.788 1.00 28.87 C +ATOM 1083 C GLY A 184 11.507 -2.534 24.331 1.00 27.85 C +ATOM 1084 O GLY A 184 12.509 -1.832 24.479 1.00 27.08 O +ATOM 1085 N ARG A 185 11.460 -3.818 24.648 1.00 27.54 N +ATOM 1086 CA ARG A 185 12.481 -4.431 25.463 1.00 26.71 C +ATOM 1087 C ARG A 185 13.814 -4.513 24.704 1.00 26.15 C +ATOM 1088 O ARG A 185 13.833 -4.526 23.488 1.00 27.46 O +ATOM 1089 CB ARG A 185 11.989 -5.790 25.960 1.00 26.66 C +ATOM 1090 CG ARG A 185 10.787 -5.669 26.925 1.00 29.24 C +ATOM 1091 CD ARG A 185 10.180 -7.014 27.291 1.00 34.82 C +ATOM 1092 NE ARG A 185 10.980 -7.688 28.297 1.00 35.06 N +ATOM 1093 CZ ARG A 185 10.807 -8.945 28.681 1.00 35.42 C +ATOM 1094 NH1 ARG A 185 9.911 -9.717 28.104 1.00 33.29 N +ATOM 1095 NH2 ARG A 185 11.605 -9.446 29.627 1.00 38.07 N +ATOM 1096 N ARG A 186 14.918 -4.461 25.447 1.00 26.10 N +ATOM 1097 CA ARG A 186 16.293 -4.437 24.909 1.00 25.62 C +ATOM 1098 C ARG A 186 16.747 -5.918 24.838 1.00 25.82 C +ATOM 1099 O ARG A 186 16.813 -6.590 25.852 1.00 28.44 O +ATOM 1100 CB ARG A 186 17.215 -3.633 25.805 1.00 26.88 C +ATOM 1101 CG ARG A 186 16.817 -2.212 25.930 1.00 28.61 C +ATOM 1102 CD ARG A 186 17.640 -1.463 26.970 1.00 28.98 C +ATOM 1103 NE ARG A 186 17.129 -0.093 27.161 1.00 29.97 N +ATOM 1104 CZ ARG A 186 17.857 0.926 27.663 1.00 30.38 C +ATOM 1105 NH1 ARG A 186 19.099 0.734 28.096 1.00 30.47 N +ATOM 1106 NH2 ARG A 186 17.312 2.149 27.766 1.00 30.83 N +ATOM 1107 N LEU A 187 16.869 -6.403 23.606 1.00 25.46 N +ATOM 1108 CA LEU A 187 17.158 -7.801 23.348 1.00 24.78 C +ATOM 1109 C LEU A 187 18.654 -8.077 23.374 1.00 25.25 C +ATOM 1110 O LEU A 187 19.087 -9.057 23.943 1.00 25.46 O +ATOM 1111 CB LEU A 187 16.576 -8.254 22.049 1.00 24.71 C +ATOM 1112 CG LEU A 187 15.047 -8.410 22.024 1.00 26.42 C +ATOM 1113 CD1 LEU A 187 14.652 -8.789 20.591 1.00 27.42 C +ATOM 1114 CD2 LEU A 187 14.598 -9.433 23.066 1.00 24.76 C +ATOM 1115 N ALA A 188 19.427 -7.182 22.748 1.00 26.54 N +ATOM 1116 CA ALA A 188 20.850 -7.522 22.502 1.00 25.07 C +ATOM 1117 C ALA A 188 21.607 -6.249 22.286 1.00 27.10 C +ATOM 1118 O ALA A 188 21.010 -5.200 21.970 1.00 26.08 O +ATOM 1119 CB ALA A 188 20.946 -8.515 21.269 1.00 26.79 C +ATOM 1120 N CYS A 189 22.894 -6.270 22.601 1.00 25.72 N +ATOM 1121 CA CYS A 189 23.661 -5.029 22.536 1.00 26.64 C +ATOM 1122 C CYS A 189 25.159 -5.369 22.481 1.00 26.90 C +ATOM 1123 O CYS A 189 25.566 -6.521 22.577 1.00 26.92 O +ATOM 1124 CB CYS A 189 23.412 -4.163 23.744 1.00 28.22 C +ATOM 1125 SG CYS A 189 23.645 -4.899 25.317 1.00 31.44 S +ATOM 1126 N CYS A 190 25.918 -4.321 22.351 1.00 26.11 N +ATOM 1127 CA CYS A 190 27.385 -4.382 22.245 1.00 26.81 C +ATOM 1128 C CYS A 190 27.955 -3.010 22.444 1.00 26.45 C +ATOM 1129 O CYS A 190 27.264 -1.988 22.246 1.00 28.51 O +ATOM 1130 CB CYS A 190 27.795 -4.895 20.877 1.00 28.44 C +ATOM 1131 SG CYS A 190 27.039 -4.094 19.491 1.00 30.85 S +ATOM 1132 N VAL A 191 29.264 -2.998 22.724 1.00 25.84 N +ATOM 1133 CA VAL A 191 30.053 -1.746 22.810 1.00 25.89 C +ATOM 1134 C VAL A 191 30.750 -1.472 21.486 1.00 25.81 C +ATOM 1135 O VAL A 191 31.370 -2.346 20.914 1.00 26.12 O +ATOM 1136 CB VAL A 191 31.116 -1.838 23.943 1.00 24.84 C +ATOM 1137 CG1 VAL A 191 31.890 -0.525 23.979 1.00 24.93 C +ATOM 1138 CG2 VAL A 191 30.441 -2.125 25.307 1.00 27.81 C +ATOM 1139 N VAL A 192 30.633 -0.238 20.997 1.00 25.54 N +ATOM 1140 CA VAL A 192 31.180 0.130 19.694 1.00 24.78 C +ATOM 1141 C VAL A 192 32.701 0.298 19.880 1.00 24.82 C +ATOM 1142 O VAL A 192 33.207 1.159 20.680 1.00 25.25 O +ATOM 1143 CB VAL A 192 30.594 1.501 19.190 1.00 26.02 C +ATOM 1144 CG1 VAL A 192 31.236 1.881 17.917 1.00 24.61 C +ATOM 1145 CG2 VAL A 192 29.031 1.382 19.051 1.00 26.26 C +ATOM 1146 N GLY A 193 33.387 -0.543 19.136 1.00 24.87 N +ATOM 1147 CA GLY A 193 34.842 -0.625 19.111 1.00 25.38 C +ATOM 1148 C GLY A 193 35.525 -0.068 17.869 1.00 25.02 C +ATOM 1149 O GLY A 193 35.019 -0.170 16.776 1.00 26.26 O +ATOM 1150 N VAL A 194 36.707 0.534 18.044 1.00 25.01 N +ATOM 1151 CA VAL A 194 37.598 0.932 16.938 1.00 26.23 C +ATOM 1152 C VAL A 194 38.038 -0.320 16.209 1.00 27.10 C +ATOM 1153 O VAL A 194 38.392 -1.327 16.856 1.00 27.37 O +ATOM 1154 CB VAL A 194 38.833 1.677 17.457 1.00 26.25 C +ATOM 1155 CG1 VAL A 194 39.786 2.112 16.321 1.00 29.09 C +ATOM 1156 CG2 VAL A 194 38.395 2.878 18.303 1.00 28.38 C +ATOM 1157 N CYS A 195 37.997 -0.299 14.877 1.00 26.75 N +ATOM 1158 CA CYS A 195 38.500 -1.438 14.133 1.00 27.95 C +ATOM 1159 C CYS A 195 39.242 -0.996 12.880 1.00 27.81 C +ATOM 1160 O CYS A 195 39.272 0.168 12.533 1.00 26.99 O +ATOM 1161 CB CYS A 195 37.415 -2.467 13.871 1.00 27.72 C +ATOM 1162 SG CYS A 195 36.205 -1.941 12.647 1.00 29.35 S +ATOM 1163 N GLY A 196 39.919 -1.966 12.263 1.00 29.34 N +ATOM 1164 CA GLY A 196 40.582 -1.750 10.976 1.00 29.33 C +ATOM 1165 C GLY A 196 39.587 -1.751 9.818 1.00 29.40 C +ATOM 1166 O GLY A 196 38.390 -2.027 10.023 1.00 27.82 O +ATOM 1167 N PRO A 197 40.076 -1.482 8.591 1.00 30.72 N +ATOM 1168 CA PRO A 197 39.236 -1.531 7.382 1.00 30.25 C +ATOM 1169 C PRO A 197 38.804 -2.911 6.928 1.00 30.79 C +ATOM 1170 O PRO A 197 37.854 -3.027 6.112 1.00 30.20 O +ATOM 1171 CB PRO A 197 40.122 -0.895 6.307 1.00 31.35 C +ATOM 1172 CG PRO A 197 41.467 -0.983 6.803 1.00 31.45 C +ATOM 1173 CD PRO A 197 41.430 -0.992 8.283 1.00 30.87 C +ATOM 1174 N GLY A 198 39.479 -3.952 7.422 1.00 29.84 N +ATOM 1175 CA GLY A 198 39.223 -5.346 6.978 1.00 30.55 C +ATOM 1176 C GLY A 198 37.790 -5.852 7.001 1.00 29.59 C +ATOM 1177 O GLY A 198 37.320 -6.460 6.015 1.00 31.16 O +ATOM 1178 N LEU A 199 37.104 -5.636 8.111 1.00 29.16 N +ATOM 1179 CA LEU A 199 35.766 -6.179 8.313 1.00 29.22 C +ATOM 1180 C LEU A 199 34.852 -5.615 7.246 1.00 28.79 C +ATOM 1181 O LEU A 199 34.112 -6.367 6.623 1.00 28.61 O +ATOM 1182 CB LEU A 199 35.215 -5.850 9.684 1.00 30.22 C +ATOM 1183 CG LEU A 199 35.710 -6.763 10.809 1.00 31.17 C +ATOM 1184 CD1 LEU A 199 35.177 -6.210 12.123 1.00 29.55 C +ATOM 1185 CD2 LEU A 199 35.217 -8.196 10.564 1.00 34.27 C +ATOM 1186 N TRP A 200 34.915 -4.297 7.047 1.00 27.49 N +ATOM 1187 CA TRP A 200 34.031 -3.657 6.059 1.00 28.20 C +ATOM 1188 C TRP A 200 34.372 -4.110 4.659 1.00 28.84 C +ATOM 1189 O TRP A 200 33.478 -4.412 3.856 1.00 28.14 O +ATOM 1190 CB TRP A 200 34.131 -2.142 6.177 1.00 27.64 C +ATOM 1191 CG TRP A 200 33.148 -1.418 5.301 1.00 27.74 C +ATOM 1192 CD1 TRP A 200 33.321 -1.044 4.012 1.00 29.23 C +ATOM 1193 CD2 TRP A 200 31.890 -0.920 5.704 1.00 26.75 C +ATOM 1194 NE1 TRP A 200 32.207 -0.372 3.548 1.00 29.88 N +ATOM 1195 CE2 TRP A 200 31.303 -0.296 4.563 1.00 27.22 C +ATOM 1196 CE3 TRP A 200 31.148 -1.006 6.880 1.00 29.72 C +ATOM 1197 CZ2 TRP A 200 30.026 0.269 4.612 1.00 25.86 C +ATOM 1198 CZ3 TRP A 200 29.881 -0.408 6.930 1.00 28.25 C +ATOM 1199 CH2 TRP A 200 29.357 0.231 5.817 1.00 27.17 C +ATOM 1200 N GLU A 201 35.683 -4.128 4.327 1.00 28.72 N +ATOM 1201 CA GLU A 201 36.140 -4.573 3.000 1.00 30.90 C +ATOM 1202 C GLU A 201 35.693 -5.997 2.720 1.00 30.96 C +ATOM 1203 O GLU A 201 35.205 -6.267 1.611 1.00 32.08 O +ATOM 1204 CB GLU A 201 37.674 -4.502 2.913 1.00 31.60 C +ATOM 1205 CG GLU A 201 38.167 -3.086 2.884 1.00 36.14 C +ATOM 1206 CD GLU A 201 39.711 -2.918 3.035 1.00 43.08 C +ATOM 1207 OE1 GLU A 201 40.450 -3.805 3.567 1.00 47.51 O +ATOM 1208 OE2 GLU A 201 40.164 -1.820 2.644 1.00 48.39 O +ATOM 1209 N ARG A 202 35.862 -6.906 3.693 1.00 31.30 N +ATOM 1210 CA ARG A 202 35.554 -8.321 3.471 1.00 32.54 C +ATOM 1211 C ARG A 202 34.040 -8.528 3.291 1.00 32.80 C +ATOM 1212 O ARG A 202 33.585 -9.284 2.405 1.00 32.96 O +ATOM 1213 CB ARG A 202 36.076 -9.216 4.602 1.00 33.36 C +ATOM 1214 CG ARG A 202 37.593 -9.279 4.662 1.00 36.37 C +ATOM 1215 CD ARG A 202 38.078 -10.384 5.611 1.00 36.52 C +ATOM 1216 NE ARG A 202 37.746 -10.123 7.011 1.00 39.96 N +ATOM 1217 CZ ARG A 202 38.456 -9.341 7.833 1.00 40.27 C +ATOM 1218 NH1 ARG A 202 39.569 -8.727 7.422 1.00 43.52 N +ATOM 1219 NH2 ARG A 202 38.042 -9.176 9.077 1.00 44.30 N +ATOM 1220 N GLN A 203 33.284 -7.805 4.083 1.00 31.64 N +ATOM 1221 CA GLN A 203 31.814 -7.908 4.008 1.00 32.21 C +ATOM 1222 C GLN A 203 31.332 -7.413 2.660 1.00 33.11 C +ATOM 1223 O GLN A 203 30.434 -8.027 2.090 1.00 34.10 O +ATOM 1224 CB GLN A 203 31.154 -7.121 5.131 1.00 31.81 C +ATOM 1225 CG GLN A 203 29.631 -7.197 5.149 1.00 33.21 C +ATOM 1226 CD GLN A 203 29.118 -8.639 5.195 1.00 37.12 C +ATOM 1227 OE1 GLN A 203 29.425 -9.369 6.136 1.00 37.10 O +ATOM 1228 NE2 GLN A 203 28.323 -9.037 4.188 1.00 41.13 N +ATOM 1229 N ALA A 204 31.909 -6.316 2.156 1.00 34.09 N +ATOM 1230 CA ALA A 204 31.503 -5.714 0.859 1.00 35.80 C +ATOM 1231 C ALA A 204 31.920 -6.601 -0.323 1.00 38.02 C +ATOM 1232 O ALA A 204 31.234 -6.674 -1.340 1.00 38.69 O +ATOM 1233 CB ALA A 204 32.083 -4.291 0.702 1.00 35.80 C +ATOM 1234 N ARG A 205 33.071 -7.252 -0.159 1.00 40.32 N +ATOM 1235 CA ARG A 205 33.597 -8.424 -0.930 1.00 43.22 C +ATOM 1236 C ARG A 205 34.745 -8.012 -1.792 1.00 43.87 C +ATOM 1237 O ARG A 205 35.896 -8.113 -1.366 1.00 46.34 O +ATOM 1238 CB ARG A 205 32.557 -9.194 -1.728 1.00 43.99 C +ATOM 1239 CG ARG A 205 31.389 -9.700 -0.899 1.00 47.22 C +ATOM 1240 CD ARG A 205 31.717 -10.929 -0.095 1.00 52.28 C +ATOM 1241 NE ARG A 205 30.831 -11.072 1.073 1.00 58.48 N +ATOM 1242 CZ ARG A 205 30.651 -12.201 1.768 1.00 63.17 C +ATOM 1243 NH1 ARG A 205 31.282 -13.331 1.421 1.00 65.15 N +ATOM 1244 NH2 ARG A 205 29.828 -12.205 2.823 1.00 64.39 N +TER 1245 ARG A 205 +ATOM 1246 N GLY B 39 36.072 17.562 33.986 1.00 37.54 N +ATOM 1247 CA GLY B 39 35.106 16.519 34.422 1.00 36.45 C +ATOM 1248 C GLY B 39 35.767 15.139 34.382 1.00 36.03 C +ATOM 1249 O GLY B 39 36.464 14.804 33.414 1.00 36.78 O +ATOM 1250 N THR B 40 35.540 14.342 35.427 1.00 34.30 N +ATOM 1251 CA THR B 40 36.068 12.982 35.494 1.00 32.94 C +ATOM 1252 C THR B 40 35.497 12.106 34.394 1.00 31.90 C +ATOM 1253 O THR B 40 34.312 12.224 34.037 1.00 31.50 O +ATOM 1254 CB THR B 40 35.752 12.368 36.863 1.00 33.06 C +ATOM 1255 OG1 THR B 40 36.254 13.259 37.875 1.00 36.03 O +ATOM 1256 CG2 THR B 40 36.345 10.949 37.004 1.00 34.67 C +ATOM 1257 N LEU B 41 36.345 11.239 33.846 1.00 28.89 N +ATOM 1258 CA LEU B 41 35.886 10.285 32.845 1.00 29.33 C +ATOM 1259 C LEU B 41 35.954 8.927 33.515 1.00 26.47 C +ATOM 1260 O LEU B 41 36.851 8.660 34.305 1.00 25.75 O +ATOM 1261 CB LEU B 41 36.755 10.284 31.568 1.00 29.68 C +ATOM 1262 CG LEU B 41 36.773 11.603 30.769 1.00 34.62 C +ATOM 1263 CD1 LEU B 41 37.774 11.499 29.627 1.00 37.09 C +ATOM 1264 CD2 LEU B 41 35.383 11.928 30.224 1.00 37.68 C +ATOM 1265 N HIS B 42 34.978 8.087 33.189 1.00 25.79 N +ATOM 1266 CA HIS B 42 34.954 6.715 33.652 1.00 24.95 C +ATOM 1267 C HIS B 42 34.765 5.804 32.449 1.00 25.08 C +ATOM 1268 O HIS B 42 34.119 6.179 31.490 1.00 23.21 O +ATOM 1269 CB HIS B 42 33.770 6.497 34.601 1.00 26.30 C +ATOM 1270 CG HIS B 42 33.862 7.272 35.871 1.00 25.92 C +ATOM 1271 ND1 HIS B 42 33.381 8.549 35.982 1.00 24.83 N +ATOM 1272 CD2 HIS B 42 34.377 6.954 37.087 1.00 26.55 C +ATOM 1273 CE1 HIS B 42 33.589 8.995 37.214 1.00 27.07 C +ATOM 1274 NE2 HIS B 42 34.187 8.041 37.902 1.00 27.06 N +ATOM 1275 N ALA B 43 35.271 4.577 32.524 1.00 24.13 N +ATOM 1276 CA ALA B 43 35.063 3.612 31.475 1.00 23.97 C +ATOM 1277 C ALA B 43 34.966 2.234 32.149 1.00 23.67 C +ATOM 1278 O ALA B 43 35.393 2.076 33.296 1.00 24.99 O +ATOM 1279 CB ALA B 43 36.220 3.585 30.477 1.00 25.82 C +ATOM 1280 N ALA B 44 34.364 1.305 31.442 1.00 24.65 N +ATOM 1281 CA ALA B 44 34.198 -0.065 31.933 1.00 25.68 C +ATOM 1282 C ALA B 44 34.437 -1.044 30.833 1.00 25.87 C +ATOM 1283 O ALA B 44 34.323 -0.751 29.652 1.00 26.48 O +ATOM 1284 CB ALA B 44 32.787 -0.250 32.470 1.00 27.28 C +ATOM 1285 N CYS B 45 34.848 -2.255 31.219 1.00 26.65 N +ATOM 1286 CA CYS B 45 35.176 -3.270 30.199 1.00 27.01 C +ATOM 1287 C CYS B 45 34.758 -4.602 30.824 1.00 27.01 C +ATOM 1288 O CYS B 45 35.224 -4.984 31.916 1.00 27.22 O +ATOM 1289 CB CYS B 45 36.663 -3.236 29.858 1.00 28.36 C +ATOM 1290 SG CYS B 45 37.233 -3.960 28.321 1.00 30.43 S +ATOM 1291 N GLN B 46 33.749 -5.231 30.212 1.00 27.08 N +ATOM 1292 CA GLN B 46 33.099 -6.401 30.773 1.00 27.07 C +ATOM 1293 C GLN B 46 33.833 -7.636 30.230 1.00 26.89 C +ATOM 1294 O GLN B 46 33.524 -8.146 29.165 1.00 26.88 O +ATOM 1295 CB GLN B 46 31.617 -6.472 30.367 1.00 29.29 C +ATOM 1296 CG GLN B 46 30.845 -7.245 31.350 1.00 35.84 C +ATOM 1297 CD GLN B 46 30.687 -6.518 32.766 1.00 41.92 C +ATOM 1298 OE1 GLN B 46 30.809 -5.276 32.920 1.00 47.39 O +ATOM 1299 NE2 GLN B 46 30.432 -7.307 33.769 1.00 43.31 N +ATOM 1300 N VAL B 47 34.862 -8.058 30.962 1.00 26.96 N +ATOM 1301 CA VAL B 47 35.718 -9.146 30.503 1.00 26.09 C +ATOM 1302 C VAL B 47 34.899 -10.432 30.385 1.00 26.32 C +ATOM 1303 O VAL B 47 34.216 -10.862 31.335 1.00 27.04 O +ATOM 1304 CB VAL B 47 36.911 -9.342 31.450 1.00 26.13 C +ATOM 1305 CG1 VAL B 47 37.763 -10.543 31.037 1.00 26.94 C +ATOM 1306 CG2 VAL B 47 37.762 -8.030 31.420 1.00 27.79 C +ATOM 1307 N GLN B 48 34.992 -11.017 29.208 1.00 26.15 N +ATOM 1308 CA GLN B 48 34.346 -12.297 28.898 0.50 26.17 C +ATOM 1309 C GLN B 48 35.274 -13.237 28.146 1.00 25.80 C +ATOM 1310 O GLN B 48 36.166 -12.785 27.418 1.00 25.38 O +ATOM 1311 CB GLN B 48 33.101 -12.040 28.040 0.50 26.78 C +ATOM 1312 CG GLN B 48 31.964 -11.356 28.777 0.50 27.83 C +ATOM 1313 CD GLN B 48 31.498 -12.167 29.966 0.50 30.16 C +ATOM 1314 OE1 GLN B 48 31.180 -13.351 29.862 0.50 32.54 O +ATOM 1315 NE2 GLN B 48 31.475 -11.531 31.118 0.50 37.48 N +ATOM 1316 N PRO B 49 35.092 -14.563 28.313 1.00 25.83 N +ATOM 1317 CA PRO B 49 35.929 -15.443 27.522 1.00 26.38 C +ATOM 1318 C PRO B 49 35.920 -15.153 26.029 1.00 25.66 C +ATOM 1319 O PRO B 49 34.886 -14.776 25.439 1.00 27.30 O +ATOM 1320 CB PRO B 49 35.337 -16.806 27.786 1.00 26.52 C +ATOM 1321 CG PRO B 49 34.678 -16.704 29.099 1.00 26.78 C +ATOM 1322 CD PRO B 49 34.129 -15.320 29.144 1.00 25.68 C +ATOM 1323 N SER B 50 37.022 -15.430 25.373 1.00 25.51 N +ATOM 1324 CA SER B 50 37.096 -15.228 23.932 1.00 25.67 C +ATOM 1325 C SER B 50 36.062 -16.091 23.237 1.00 25.92 C +ATOM 1326 O SER B 50 35.929 -17.309 23.547 1.00 25.52 O +ATOM 1327 CB SER B 50 38.461 -15.644 23.424 1.00 26.65 C +ATOM 1328 OG SER B 50 38.575 -15.456 22.029 1.00 26.27 O +ATOM 1329 N ALA B 51 35.419 -15.518 22.233 1.00 26.14 N +ATOM 1330 CA ALA B 51 34.505 -16.264 21.393 1.00 28.47 C +ATOM 1331 C ALA B 51 35.123 -17.509 20.763 1.00 28.93 C +ATOM 1332 O ALA B 51 34.392 -18.448 20.446 1.00 29.53 O +ATOM 1333 CB ALA B 51 33.943 -15.338 20.282 1.00 30.13 C +ATOM 1334 N THR B 52 36.440 -17.514 20.580 1.00 28.23 N +ATOM 1335 CA THR B 52 37.112 -18.518 19.774 1.00 30.17 C +ATOM 1336 C THR B 52 37.860 -19.530 20.656 1.00 28.98 C +ATOM 1337 O THR B 52 38.670 -20.291 20.144 1.00 30.85 O +ATOM 1338 CB THR B 52 38.076 -17.836 18.776 1.00 31.32 C +ATOM 1339 OG1 THR B 52 38.960 -17.016 19.494 1.00 34.20 O +ATOM 1340 CG2 THR B 52 37.342 -16.955 17.749 1.00 34.34 C +ATOM 1341 N LEU B 53 37.629 -19.534 21.973 1.00 27.04 N +ATOM 1342 CA LEU B 53 38.259 -20.576 22.833 1.00 26.30 C +ATOM 1343 C LEU B 53 37.834 -21.960 22.443 1.00 26.00 C +ATOM 1344 O LEU B 53 36.647 -22.199 21.991 1.00 25.61 O +ATOM 1345 CB LEU B 53 37.952 -20.377 24.329 1.00 25.69 C +ATOM 1346 CG LEU B 53 38.364 -19.109 25.066 1.00 26.12 C +ATOM 1347 CD1 LEU B 53 37.966 -19.320 26.517 1.00 26.05 C +ATOM 1348 CD2 LEU B 53 39.832 -18.868 24.899 1.00 22.74 C +ATOM 1349 N ASP B 54 38.743 -22.932 22.606 1.00 25.91 N +ATOM 1350 CA ASP B 54 38.333 -24.323 22.611 1.00 26.01 C +ATOM 1351 C ASP B 54 37.782 -24.759 23.953 1.00 25.47 C +ATOM 1352 O ASP B 54 37.858 -24.046 24.945 1.00 28.33 O +ATOM 1353 CB ASP B 54 39.471 -25.266 22.146 1.00 27.10 C +ATOM 1354 CG ASP B 54 40.686 -25.246 23.095 1.00 24.56 C +ATOM 1355 OD1 ASP B 54 40.583 -25.894 24.158 1.00 26.89 O +ATOM 1356 OD2 ASP B 54 41.731 -24.737 22.665 1.00 27.00 O +ATOM 1357 N ALA B 55 37.157 -25.948 23.968 1.00 29.14 N +ATOM 1358 CA ALA B 55 36.457 -26.434 25.158 1.00 29.60 C +ATOM 1359 C ALA B 55 37.310 -26.689 26.395 1.00 31.02 C +ATOM 1360 O ALA B 55 36.770 -26.744 27.511 1.00 32.06 O +ATOM 1361 CB ALA B 55 35.652 -27.767 24.819 1.00 30.07 C +ATOM 1362 N ALA B 56 38.641 -26.810 26.212 1.00 28.51 N +ATOM 1363 CA ALA B 56 39.527 -27.148 27.316 1.00 28.07 C +ATOM 1364 C ALA B 56 40.175 -25.926 27.976 1.00 26.99 C +ATOM 1365 O ALA B 56 40.867 -26.068 28.966 1.00 29.11 O +ATOM 1366 CB ALA B 56 40.595 -28.139 26.835 1.00 25.62 C +ATOM 1367 N GLN B 57 39.927 -24.728 27.463 1.00 25.88 N +ATOM 1368 CA GLN B 57 40.508 -23.531 28.002 1.00 25.44 C +ATOM 1369 C GLN B 57 39.641 -22.964 29.136 1.00 27.15 C +ATOM 1370 O GLN B 57 38.373 -23.176 29.120 1.00 27.54 O +ATOM 1371 CB GLN B 57 40.686 -22.490 26.874 1.00 24.65 C +ATOM 1372 CG GLN B 57 41.746 -22.913 25.814 1.00 24.83 C +ATOM 1373 CD GLN B 57 41.955 -21.895 24.777 1.00 25.76 C +ATOM 1374 OE1 GLN B 57 41.166 -21.791 23.794 1.00 24.01 O +ATOM 1375 NE2 GLN B 57 43.061 -21.105 24.918 1.00 24.92 N +ATOM 1376 N PRO B 58 40.289 -22.302 30.118 1.00 28.49 N +ATOM 1377 CA PRO B 58 39.515 -21.703 31.220 1.00 29.44 C +ATOM 1378 C PRO B 58 38.698 -20.534 30.765 1.00 30.60 C +ATOM 1379 O PRO B 58 39.038 -19.879 29.763 1.00 31.42 O +ATOM 1380 CB PRO B 58 40.566 -21.237 32.218 1.00 30.38 C +ATOM 1381 CG PRO B 58 41.808 -21.100 31.435 1.00 29.24 C +ATOM 1382 CD PRO B 58 41.740 -22.079 30.296 1.00 28.46 C +ATOM 1383 N ARG B 59 37.635 -20.288 31.542 1.00 29.78 N +ATOM 1384 CA ARG B 59 36.627 -19.298 31.217 0.50 29.95 C +ATOM 1385 C ARG B 59 36.738 -18.170 32.240 1.00 29.17 C +ATOM 1386 O ARG B 59 36.220 -18.296 33.359 1.00 28.82 O +ATOM 1387 CB ARG B 59 35.230 -19.904 31.303 0.50 30.71 C +ATOM 1388 CG ARG B 59 34.928 -21.014 30.306 0.50 31.20 C +ATOM 1389 CD ARG B 59 34.710 -20.396 28.947 0.50 32.93 C +ATOM 1390 NE ARG B 59 34.745 -21.399 27.890 0.50 32.75 N +ATOM 1391 CZ ARG B 59 34.777 -21.110 26.600 0.50 25.38 C +ATOM 1392 NH1 ARG B 59 34.815 -19.869 26.214 0.50 34.38 N +ATOM 1393 NH2 ARG B 59 34.780 -22.083 25.684 0.50 29.51 N +ATOM 1394 N VAL B 60 37.398 -17.093 31.849 1.00 28.07 N +ATOM 1395 CA VAL B 60 37.701 -15.948 32.720 1.00 26.96 C +ATOM 1396 C VAL B 60 36.670 -14.845 32.421 1.00 26.52 C +ATOM 1397 O VAL B 60 36.410 -14.495 31.251 1.00 26.93 O +ATOM 1398 CB VAL B 60 39.165 -15.410 32.502 1.00 27.03 C +ATOM 1399 CG1 VAL B 60 39.389 -14.103 33.270 1.00 25.84 C +ATOM 1400 CG2 VAL B 60 40.220 -16.468 32.898 1.00 29.34 C +ATOM 1401 N THR B 61 36.055 -14.370 33.491 1.00 27.90 N +ATOM 1402 CA THR B 61 35.036 -13.311 33.396 0.70 27.86 C +ATOM 1403 C THR B 61 35.276 -12.287 34.517 1.00 28.18 C +ATOM 1404 O THR B 61 35.847 -12.578 35.523 1.00 28.01 O +ATOM 1405 CB THR B 61 33.595 -13.832 33.556 0.70 29.47 C +ATOM 1406 OG1 THR B 61 33.489 -14.481 34.824 0.70 30.70 O +ATOM 1407 CG2 THR B 61 33.176 -14.845 32.412 0.70 29.01 C +ATOM 1408 N GLY B 62 34.839 -11.054 34.317 1.00 25.80 N +ATOM 1409 CA GLY B 62 34.874 -10.069 35.381 1.00 26.20 C +ATOM 1410 C GLY B 62 34.802 -8.680 34.790 1.00 26.65 C +ATOM 1411 O GLY B 62 34.201 -8.485 33.743 1.00 26.41 O +ATOM 1412 N VAL B 63 35.416 -7.720 35.475 1.00 27.78 N +ATOM 1413 CA VAL B 63 35.292 -6.305 35.130 1.00 28.95 C +ATOM 1414 C VAL B 63 36.660 -5.621 35.267 1.00 28.45 C +ATOM 1415 O VAL B 63 37.444 -5.942 36.167 1.00 28.48 O +ATOM 1416 CB VAL B 63 34.234 -5.587 36.020 1.00 30.76 C +ATOM 1417 CG1 VAL B 63 34.707 -5.413 37.448 1.00 32.67 C +ATOM 1418 CG2 VAL B 63 33.845 -4.251 35.375 1.00 33.26 C +ATOM 1419 N VAL B 64 36.940 -4.727 34.334 1.00 27.14 N +ATOM 1420 CA VAL B 64 37.983 -3.739 34.515 1.00 27.12 C +ATOM 1421 C VAL B 64 37.288 -2.379 34.430 1.00 26.73 C +ATOM 1422 O VAL B 64 36.551 -2.119 33.452 1.00 28.10 O +ATOM 1423 CB VAL B 64 39.045 -3.862 33.448 1.00 28.25 C +ATOM 1424 CG1 VAL B 64 40.200 -2.878 33.708 1.00 29.88 C +ATOM 1425 CG2 VAL B 64 39.589 -5.366 33.429 1.00 28.48 C +ATOM 1426 N LEU B 65 37.534 -1.557 35.427 1.00 27.23 N +ATOM 1427 CA LEU B 65 37.009 -0.208 35.500 1.00 27.56 C +ATOM 1428 C LEU B 65 38.163 0.764 35.405 1.00 27.37 C +ATOM 1429 O LEU B 65 39.261 0.488 35.938 1.00 27.14 O +ATOM 1430 CB LEU B 65 36.249 0.013 36.797 1.00 28.31 C +ATOM 1431 CG LEU B 65 35.121 -1.016 37.061 1.00 29.10 C +ATOM 1432 CD1 LEU B 65 34.378 -0.720 38.358 1.00 28.66 C +ATOM 1433 CD2 LEU B 65 34.128 -1.014 35.844 1.00 30.26 C +ATOM 1434 N PHE B 66 37.890 1.927 34.807 1.00 25.87 N +ATOM 1435 CA PHE B 66 38.860 2.985 34.638 1.00 25.34 C +ATOM 1436 C PHE B 66 38.303 4.276 35.143 1.00 25.81 C +ATOM 1437 O PHE B 66 37.129 4.548 34.957 1.00 25.35 O +ATOM 1438 CB PHE B 66 39.253 3.176 33.188 1.00 26.05 C +ATOM 1439 CG PHE B 66 39.882 1.942 32.562 1.00 27.23 C +ATOM 1440 CD1 PHE B 66 41.174 1.598 32.895 1.00 27.53 C +ATOM 1441 CD2 PHE B 66 39.161 1.132 31.686 1.00 28.69 C +ATOM 1442 CE1 PHE B 66 41.781 0.483 32.364 1.00 29.08 C +ATOM 1443 CE2 PHE B 66 39.786 -0.007 31.122 1.00 28.40 C +ATOM 1444 CZ PHE B 66 41.108 -0.300 31.465 1.00 26.51 C +ATOM 1445 N ARG B 67 39.172 5.125 35.663 1.00 24.99 N +ATOM 1446 CA ARG B 67 38.741 6.461 36.089 1.00 24.98 C +ATOM 1447 C ARG B 67 39.880 7.416 35.780 1.00 26.52 C +ATOM 1448 O ARG B 67 41.011 7.152 36.190 1.00 27.65 O +ATOM 1449 CB ARG B 67 38.444 6.403 37.604 1.00 26.21 C +ATOM 1450 CG ARG B 67 37.836 7.622 38.282 1.00 28.92 C +ATOM 1451 CD ARG B 67 38.863 8.637 38.864 1.00 31.46 C +ATOM 1452 NE ARG B 67 39.896 8.103 39.767 1.00 30.39 N +ATOM 1453 CZ ARG B 67 39.777 7.987 41.096 1.00 34.02 C +ATOM 1454 NH1 ARG B 67 38.655 8.321 41.729 1.00 34.05 N +ATOM 1455 NH2 ARG B 67 40.789 7.523 41.815 1.00 35.67 N +ATOM 1456 N GLN B 68 39.581 8.544 35.126 1.00 27.30 N +ATOM 1457 CA GLN B 68 40.573 9.559 34.856 1.00 27.00 C +ATOM 1458 C GLN B 68 40.064 10.910 35.396 1.00 28.75 C +ATOM 1459 O GLN B 68 39.017 11.346 34.996 1.00 28.01 O +ATOM 1460 CB GLN B 68 40.860 9.614 33.344 1.00 27.73 C +ATOM 1461 CG GLN B 68 42.171 10.351 32.978 1.00 28.12 C +ATOM 1462 CD GLN B 68 42.408 10.432 31.482 1.00 33.41 C +ATOM 1463 OE1 GLN B 68 41.511 10.123 30.690 1.00 36.31 O +ATOM 1464 NE2 GLN B 68 43.605 10.854 31.080 1.00 31.62 N +ATOM 1465 N LEU B 69 40.797 11.536 36.325 1.00 29.32 N +ATOM 1466 CA LEU B 69 40.261 12.722 37.018 1.00 31.04 C +ATOM 1467 C LEU B 69 40.197 13.964 36.106 1.00 31.68 C +ATOM 1468 O LEU B 69 39.326 14.825 36.275 1.00 32.64 O +ATOM 1469 CB LEU B 69 41.031 12.993 38.323 1.00 31.80 C +ATOM 1470 CG LEU B 69 40.822 11.964 39.453 1.00 33.37 C +ATOM 1471 CD1 LEU B 69 41.566 12.331 40.731 1.00 33.96 C +ATOM 1472 CD2 LEU B 69 39.306 11.728 39.738 1.00 37.87 C +ATOM 1473 N ALA B 70 41.109 14.053 35.143 1.00 32.44 N +ATOM 1474 CA ALA B 70 41.120 15.141 34.166 1.00 33.83 C +ATOM 1475 C ALA B 70 41.811 14.638 32.912 1.00 35.61 C +ATOM 1476 O ALA B 70 42.503 13.628 32.974 1.00 35.67 O +ATOM 1477 CB ALA B 70 41.857 16.373 34.735 1.00 32.50 C +ATOM 1478 N PRO B 71 41.580 15.289 31.751 1.00 37.83 N +ATOM 1479 CA PRO B 71 42.001 14.680 30.462 1.00 39.38 C +ATOM 1480 C PRO B 71 43.462 14.241 30.355 1.00 40.26 C +ATOM 1481 O PRO B 71 43.777 13.273 29.624 1.00 42.53 O +ATOM 1482 CB PRO B 71 41.697 15.785 29.445 1.00 38.95 C +ATOM 1483 CG PRO B 71 40.556 16.494 30.051 1.00 39.31 C +ATOM 1484 CD PRO B 71 40.844 16.543 31.524 1.00 38.72 C +ATOM 1485 N ARG B 72 44.305 14.924 31.115 1.00 40.52 N +ATOM 1486 CA ARG B 72 45.742 14.650 31.091 0.50 40.47 C +ATOM 1487 C ARG B 72 46.266 14.047 32.412 1.00 40.22 C +ATOM 1488 O ARG B 72 47.489 13.916 32.606 1.00 40.67 O +ATOM 1489 CB ARG B 72 46.493 15.934 30.744 0.50 40.41 C +ATOM 1490 CG ARG B 72 45.882 16.711 29.574 0.50 40.51 C +ATOM 1491 CD ARG B 72 46.211 16.080 28.248 0.50 40.67 C +ATOM 1492 NE ARG B 72 45.655 16.851 27.132 0.50 41.35 N +ATOM 1493 CZ ARG B 72 44.642 16.476 26.345 0.50 42.43 C +ATOM 1494 NH1 ARG B 72 44.006 15.311 26.505 0.50 41.90 N +ATOM 1495 NH2 ARG B 72 44.253 17.286 25.371 0.50 43.04 N +ATOM 1496 N ALA B 73 45.356 13.662 33.309 1.00 38.35 N +ATOM 1497 CA ALA B 73 45.756 12.930 34.503 1.00 36.46 C +ATOM 1498 C ALA B 73 46.158 11.518 34.087 1.00 35.41 C +ATOM 1499 O ALA B 73 45.790 11.057 33.008 1.00 35.52 O +ATOM 1500 CB ALA B 73 44.616 12.910 35.526 1.00 36.04 C +ATOM 1501 N LYS B 74 46.928 10.838 34.928 1.00 34.06 N +ATOM 1502 CA LYS B 74 47.179 9.409 34.761 1.00 33.48 C +ATOM 1503 C LYS B 74 45.897 8.655 35.115 1.00 32.84 C +ATOM 1504 O LYS B 74 45.017 9.146 35.840 1.00 32.92 O +ATOM 1505 CB LYS B 74 48.342 8.950 35.638 1.00 33.67 C +ATOM 1506 CG LYS B 74 49.662 9.651 35.329 1.00 34.35 C +ATOM 1507 CD LYS B 74 50.300 9.095 34.068 0.50 35.07 C +ATOM 1508 CE LYS B 74 51.769 9.460 34.006 0.50 36.46 C +ATOM 1509 NZ LYS B 74 52.535 8.765 35.078 0.50 39.14 N +ATOM 1510 N LEU B 75 45.799 7.461 34.570 1.00 31.81 N +ATOM 1511 CA LEU B 75 44.613 6.688 34.647 1.00 31.25 C +ATOM 1512 C LEU B 75 44.654 5.760 35.861 1.00 30.61 C +ATOM 1513 O LEU B 75 45.715 5.244 36.222 1.00 31.18 O +ATOM 1514 CB LEU B 75 44.527 5.919 33.310 1.00 31.51 C +ATOM 1515 CG LEU B 75 43.285 5.156 33.035 1.00 34.81 C +ATOM 1516 CD1 LEU B 75 42.085 6.014 33.165 1.00 35.41 C +ATOM 1517 CD2 LEU B 75 43.379 4.518 31.674 1.00 34.39 C +ATOM 1518 N ASP B 76 43.525 5.642 36.557 1.00 28.82 N +ATOM 1519 CA ASP B 76 43.367 4.691 37.638 1.00 28.15 C +ATOM 1520 C ASP B 76 42.527 3.525 37.116 1.00 27.64 C +ATOM 1521 O ASP B 76 41.621 3.723 36.323 1.00 26.76 O +ATOM 1522 CB ASP B 76 42.678 5.338 38.828 1.00 28.26 C +ATOM 1523 CG ASP B 76 43.471 6.500 39.393 1.00 30.87 C +ATOM 1524 OD1 ASP B 76 44.719 6.443 39.490 1.00 30.75 O +ATOM 1525 OD2 ASP B 76 42.841 7.523 39.706 1.00 34.20 O +ATOM 1526 N ALA B 77 42.814 2.328 37.594 1.00 27.80 N +ATOM 1527 CA ALA B 77 42.132 1.124 37.089 1.00 26.84 C +ATOM 1528 C ALA B 77 41.881 0.114 38.203 1.00 27.18 C +ATOM 1529 O ALA B 77 42.631 0.008 39.215 1.00 26.79 O +ATOM 1530 CB ALA B 77 42.877 0.508 35.931 1.00 28.21 C +ATOM 1531 N PHE B 78 40.761 -0.592 38.064 1.00 26.43 N +ATOM 1532 CA PHE B 78 40.391 -1.636 39.014 1.00 26.10 C +ATOM 1533 C PHE B 78 40.119 -2.884 38.211 1.00 26.28 C +ATOM 1534 O PHE B 78 39.389 -2.836 37.224 1.00 27.25 O +ATOM 1535 CB PHE B 78 39.160 -1.202 39.807 1.00 27.11 C +ATOM 1536 CG PHE B 78 38.520 -2.282 40.602 1.00 30.80 C +ATOM 1537 CD1 PHE B 78 39.086 -2.703 41.787 1.00 37.04 C +ATOM 1538 CD2 PHE B 78 37.320 -2.864 40.183 1.00 35.36 C +ATOM 1539 CE1 PHE B 78 38.503 -3.716 42.554 1.00 39.53 C +ATOM 1540 CE2 PHE B 78 36.705 -3.863 40.966 1.00 37.39 C +ATOM 1541 CZ PHE B 78 37.305 -4.288 42.137 1.00 39.36 C +ATOM 1542 N PHE B 79 40.690 -4.000 38.672 1.00 26.01 N +ATOM 1543 CA PHE B 79 40.588 -5.277 38.003 1.00 26.86 C +ATOM 1544 C PHE B 79 40.025 -6.286 38.931 1.00 27.24 C +ATOM 1545 O PHE B 79 40.509 -6.425 40.057 1.00 27.90 O +ATOM 1546 CB PHE B 79 41.971 -5.776 37.522 1.00 27.47 C +ATOM 1547 CG PHE B 79 42.726 -4.794 36.685 1.00 26.77 C +ATOM 1548 CD1 PHE B 79 42.863 -4.977 35.311 1.00 27.12 C +ATOM 1549 CD2 PHE B 79 43.353 -3.689 37.278 1.00 25.02 C +ATOM 1550 CE1 PHE B 79 43.564 -4.048 34.520 1.00 28.44 C +ATOM 1551 CE2 PHE B 79 44.077 -2.766 36.479 1.00 28.93 C +ATOM 1552 CZ PHE B 79 44.183 -2.955 35.145 1.00 29.89 C +ATOM 1553 N ALA B 80 38.945 -6.937 38.514 1.00 28.29 N +ATOM 1554 CA ALA B 80 38.298 -7.966 39.323 1.00 28.69 C +ATOM 1555 C ALA B 80 37.831 -9.096 38.415 1.00 28.39 C +ATOM 1556 O ALA B 80 36.775 -9.000 37.811 1.00 28.24 O +ATOM 1557 CB ALA B 80 37.094 -7.392 40.131 1.00 29.83 C +ATOM 1558 N LEU B 81 38.579 -10.189 38.401 1.00 27.45 N +ATOM 1559 CA LEU B 81 38.304 -11.335 37.518 1.00 27.35 C +ATOM 1560 C LEU B 81 38.244 -12.677 38.291 1.00 28.07 C +ATOM 1561 O LEU B 81 38.848 -12.831 39.340 1.00 28.74 O +ATOM 1562 CB LEU B 81 39.400 -11.415 36.464 1.00 29.09 C +ATOM 1563 CG LEU B 81 39.716 -10.153 35.669 1.00 29.81 C +ATOM 1564 CD1 LEU B 81 40.928 -10.443 34.742 1.00 28.92 C +ATOM 1565 CD2 LEU B 81 38.526 -9.720 34.832 1.00 29.49 C +ATOM 1566 N GLU B 82 37.484 -13.618 37.758 1.00 28.20 N +ATOM 1567 CA GLU B 82 37.412 -14.969 38.270 1.00 29.21 C +ATOM 1568 C GLU B 82 37.406 -15.984 37.122 1.00 27.98 C +ATOM 1569 O GLU B 82 37.257 -15.641 35.972 1.00 28.17 O +ATOM 1570 CB GLU B 82 36.198 -15.138 39.188 1.00 31.78 C +ATOM 1571 CG GLU B 82 34.904 -15.092 38.506 1.00 36.66 C +ATOM 1572 CD GLU B 82 33.750 -15.043 39.524 1.00 42.60 C +ATOM 1573 OE1 GLU B 82 33.681 -15.921 40.397 1.00 46.54 O +ATOM 1574 OE2 GLU B 82 32.919 -14.110 39.436 1.00 49.27 O +ATOM 1575 N GLY B 83 37.590 -17.258 37.430 1.00 27.75 N +ATOM 1576 CA GLY B 83 37.521 -18.270 36.403 1.00 28.08 C +ATOM 1577 C GLY B 83 38.893 -18.843 36.028 1.00 30.11 C +ATOM 1578 O GLY B 83 38.965 -19.719 35.195 1.00 31.07 O +ATOM 1579 N PHE B 84 39.988 -18.333 36.596 1.00 31.04 N +ATOM 1580 CA PHE B 84 41.299 -18.889 36.279 1.00 30.66 C +ATOM 1581 C PHE B 84 41.394 -20.300 36.831 1.00 32.64 C +ATOM 1582 O PHE B 84 40.687 -20.621 37.778 1.00 29.75 O +ATOM 1583 CB PHE B 84 42.414 -18.044 36.852 1.00 30.15 C +ATOM 1584 CG PHE B 84 42.597 -16.761 36.160 1.00 31.90 C +ATOM 1585 CD1 PHE B 84 43.369 -16.656 34.976 1.00 30.97 C +ATOM 1586 CD2 PHE B 84 42.022 -15.625 36.685 1.00 30.07 C +ATOM 1587 CE1 PHE B 84 43.543 -15.417 34.341 1.00 32.42 C +ATOM 1588 CE2 PHE B 84 42.200 -14.388 36.054 1.00 30.71 C +ATOM 1589 CZ PHE B 84 42.948 -14.287 34.888 1.00 28.61 C +ATOM 1590 N PRO B 85 42.254 -21.139 36.224 1.00 34.82 N +ATOM 1591 CA PRO B 85 42.519 -22.452 36.825 1.00 36.56 C +ATOM 1592 C PRO B 85 42.925 -22.307 38.309 1.00 38.33 C +ATOM 1593 O PRO B 85 43.698 -21.422 38.681 1.00 37.56 O +ATOM 1594 CB PRO B 85 43.664 -23.004 35.966 1.00 36.51 C +ATOM 1595 CG PRO B 85 43.522 -22.315 34.649 1.00 36.38 C +ATOM 1596 CD PRO B 85 42.964 -20.945 34.951 1.00 34.94 C +ATOM 1597 N THR B 86 42.362 -23.141 39.158 1.00 40.94 N +ATOM 1598 CA THR B 86 42.600 -23.043 40.614 1.00 43.31 C +ATOM 1599 C THR B 86 43.842 -23.824 41.100 1.00 44.68 C +ATOM 1600 O THR B 86 44.210 -23.749 42.280 1.00 44.66 O +ATOM 1601 CB THR B 86 41.394 -23.531 41.390 1.00 43.35 C +ATOM 1602 OG1 THR B 86 41.216 -24.931 41.142 1.00 45.57 O +ATOM 1603 CG2 THR B 86 40.151 -22.767 40.962 1.00 43.22 C +ATOM 1604 N GLU B 87 44.448 -24.584 40.184 1.00 46.10 N +ATOM 1605 CA GLU B 87 45.759 -25.186 40.367 1.00 47.12 C +ATOM 1606 C GLU B 87 46.542 -24.889 39.083 1.00 47.19 C +ATOM 1607 O GLU B 87 46.037 -25.112 37.987 1.00 47.96 O +ATOM 1608 CB GLU B 87 45.658 -26.703 40.602 1.00 47.36 C +ATOM 1609 CG GLU B 87 44.497 -27.177 41.510 1.00 49.25 C +ATOM 1610 CD GLU B 87 43.232 -27.572 40.733 1.00 51.62 C +ATOM 1611 OE1 GLU B 87 42.911 -26.907 39.718 1.00 54.97 O +ATOM 1612 OE2 GLU B 87 42.550 -28.542 41.141 1.00 54.33 O +ATOM 1613 N PRO B 88 47.755 -24.335 39.198 1.00 47.59 N +ATOM 1614 CA PRO B 88 48.462 -24.007 40.438 1.00 47.62 C +ATOM 1615 C PRO B 88 47.697 -22.912 41.184 1.00 47.69 C +ATOM 1616 O PRO B 88 47.231 -21.950 40.551 1.00 47.39 O +ATOM 1617 CB PRO B 88 49.818 -23.485 39.950 1.00 47.52 C +ATOM 1618 CG PRO B 88 49.563 -22.973 38.557 1.00 48.12 C +ATOM 1619 CD PRO B 88 48.492 -23.895 38.000 1.00 47.97 C +ATOM 1620 N ASN B 89 47.548 -23.078 42.497 1.00 47.35 N +ATOM 1621 CA ASN B 89 46.800 -22.122 43.318 1.00 47.35 C +ATOM 1622 C ASN B 89 47.241 -20.680 43.058 1.00 45.82 C +ATOM 1623 O ASN B 89 46.395 -19.806 42.858 1.00 46.82 O +ATOM 1624 CB ASN B 89 46.919 -22.455 44.816 1.00 47.96 C +ATOM 1625 CG ASN B 89 45.932 -21.662 45.673 1.00 50.57 C +ATOM 1626 OD1 ASN B 89 46.258 -21.242 46.789 1.00 55.27 O +ATOM 1627 ND2 ASN B 89 44.717 -21.455 45.153 1.00 52.07 N +ATOM 1628 N SER B 90 48.557 -20.448 43.016 1.00 44.05 N +ATOM 1629 CA SER B 90 49.091 -19.125 42.665 1.00 43.15 C +ATOM 1630 C SER B 90 49.624 -19.082 41.232 1.00 41.59 C +ATOM 1631 O SER B 90 50.202 -20.047 40.735 1.00 41.76 O +ATOM 1632 CB SER B 90 50.187 -18.700 43.641 1.00 43.19 C +ATOM 1633 OG SER B 90 49.612 -18.454 44.914 1.00 44.71 O +ATOM 1634 N SER B 91 49.404 -17.958 40.561 1.00 38.74 N +ATOM 1635 CA SER B 91 49.977 -17.757 39.266 1.00 37.11 C +ATOM 1636 C SER B 91 49.966 -16.232 38.999 1.00 35.41 C +ATOM 1637 O SER B 91 49.404 -15.460 39.786 1.00 33.23 O +ATOM 1638 CB SER B 91 49.182 -18.516 38.203 1.00 37.32 C +ATOM 1639 OG SER B 91 47.886 -17.960 38.005 1.00 39.29 O +ATOM 1640 N SER B 92 50.670 -15.853 37.950 1.00 32.98 N +ATOM 1641 CA SER B 92 50.807 -14.444 37.521 1.00 32.39 C +ATOM 1642 C SER B 92 50.353 -14.370 36.074 1.00 31.84 C +ATOM 1643 O SER B 92 50.752 -15.189 35.243 1.00 30.77 O +ATOM 1644 CB SER B 92 52.274 -14.060 37.698 1.00 33.75 C +ATOM 1645 OG SER B 92 52.539 -12.795 37.208 1.00 34.33 O +ATOM 1646 N ARG B 93 49.439 -13.438 35.774 1.00 28.40 N +ATOM 1647 CA ARG B 93 48.805 -13.359 34.442 1.00 29.44 C +ATOM 1648 C ARG B 93 48.827 -11.909 33.931 1.00 28.10 C +ATOM 1649 O ARG B 93 48.574 -10.951 34.677 1.00 29.09 O +ATOM 1650 CB ARG B 93 47.361 -13.869 34.455 1.00 29.87 C +ATOM 1651 CG ARG B 93 47.217 -15.273 35.084 1.00 31.56 C +ATOM 1652 CD ARG B 93 47.491 -16.454 34.154 1.00 35.23 C +ATOM 1653 NE ARG B 93 47.093 -17.671 34.902 1.00 40.19 N +ATOM 1654 CZ ARG B 93 46.609 -18.839 34.439 1.00 40.43 C +ATOM 1655 NH1 ARG B 93 46.435 -19.143 33.146 1.00 38.35 N +ATOM 1656 NH2 ARG B 93 46.306 -19.779 35.344 1.00 42.98 N +ATOM 1657 N ALA B 94 49.108 -11.774 32.650 1.00 26.19 N +ATOM 1658 CA ALA B 94 49.249 -10.481 31.970 1.00 25.61 C +ATOM 1659 C ALA B 94 47.871 -9.929 31.520 1.00 25.93 C +ATOM 1660 O ALA B 94 46.977 -10.664 31.071 1.00 25.97 O +ATOM 1661 CB ALA B 94 50.152 -10.655 30.768 1.00 26.22 C +ATOM 1662 N ILE B 95 47.734 -8.613 31.533 1.00 26.19 N +ATOM 1663 CA ILE B 95 46.589 -7.942 30.980 1.00 25.12 C +ATOM 1664 C ILE B 95 47.131 -6.719 30.185 1.00 25.63 C +ATOM 1665 O ILE B 95 48.003 -5.990 30.684 1.00 26.26 O +ATOM 1666 CB ILE B 95 45.591 -7.451 32.073 1.00 24.88 C +ATOM 1667 CG1 ILE B 95 45.179 -8.638 32.970 1.00 26.44 C +ATOM 1668 CG2 ILE B 95 44.364 -6.737 31.385 1.00 24.43 C +ATOM 1669 CD1 ILE B 95 44.194 -8.260 34.053 1.00 26.41 C +ATOM 1670 N HIS B 96 46.632 -6.535 28.973 1.00 26.63 N +ATOM 1671 CA HIS B 96 47.071 -5.434 28.112 1.00 27.11 C +ATOM 1672 C HIS B 96 45.898 -4.813 27.391 1.00 28.84 C +ATOM 1673 O HIS B 96 44.853 -5.426 27.274 1.00 28.45 O +ATOM 1674 CB HIS B 96 47.962 -5.908 26.998 1.00 28.89 C +ATOM 1675 CG HIS B 96 49.046 -6.850 27.412 1.00 29.09 C +ATOM 1676 ND1 HIS B 96 49.157 -8.086 26.830 1.00 28.86 N +ATOM 1677 CD2 HIS B 96 50.113 -6.713 28.246 1.00 29.12 C +ATOM 1678 CE1 HIS B 96 50.249 -8.674 27.284 1.00 27.74 C +ATOM 1679 NE2 HIS B 96 50.829 -7.887 28.169 1.00 27.98 N +ATOM 1680 N VAL B 97 46.103 -3.608 26.870 1.00 27.73 N +ATOM 1681 CA VAL B 97 45.189 -3.007 25.907 1.00 26.31 C +ATOM 1682 C VAL B 97 45.667 -3.302 24.493 1.00 26.38 C +ATOM 1683 O VAL B 97 46.847 -2.975 24.145 1.00 26.98 O +ATOM 1684 CB VAL B 97 45.083 -1.508 26.112 1.00 26.87 C +ATOM 1685 CG1 VAL B 97 44.299 -0.808 24.987 1.00 29.94 C +ATOM 1686 CG2 VAL B 97 44.530 -1.208 27.520 1.00 29.31 C +ATOM 1687 N HIS B 98 44.825 -3.894 23.657 1.00 25.35 N +ATOM 1688 CA HIS B 98 45.144 -4.162 22.262 1.00 26.98 C +ATOM 1689 C HIS B 98 44.479 -3.118 21.372 1.00 26.79 C +ATOM 1690 O HIS B 98 43.492 -2.464 21.804 1.00 25.67 O +ATOM 1691 CB HIS B 98 44.791 -5.572 21.848 1.00 28.22 C +ATOM 1692 CG HIS B 98 45.688 -6.601 22.467 1.00 27.83 C +ATOM 1693 ND1 HIS B 98 46.384 -7.527 21.701 1.00 27.74 N +ATOM 1694 CD2 HIS B 98 46.031 -6.832 23.754 1.00 31.15 C +ATOM 1695 CE1 HIS B 98 47.093 -8.296 22.512 1.00 27.90 C +ATOM 1696 NE2 HIS B 98 46.899 -7.902 23.763 1.00 29.54 N +ATOM 1697 N GLN B 99 44.923 -3.041 20.128 1.00 27.04 N +ATOM 1698 CA GLN B 99 44.617 -1.878 19.289 1.00 26.41 C +ATOM 1699 C GLN B 99 43.112 -1.730 18.968 1.00 27.31 C +ATOM 1700 O GLN B 99 42.590 -0.597 18.943 1.00 27.71 O +ATOM 1701 CB GLN B 99 45.411 -1.953 18.008 1.00 27.06 C +ATOM 1702 CG GLN B 99 45.241 -0.754 17.128 1.00 27.09 C +ATOM 1703 CD GLN B 99 46.152 -0.790 15.914 1.00 29.28 C +ATOM 1704 OE1 GLN B 99 46.898 -1.754 15.727 1.00 29.33 O +ATOM 1705 NE2 GLN B 99 46.080 0.243 15.081 1.00 28.82 N +ATOM 1706 N PHE B 100 42.470 -2.859 18.690 1.00 24.97 N +ATOM 1707 CA PHE B 100 41.098 -2.828 18.110 1.00 25.99 C +ATOM 1708 C PHE B 100 40.044 -3.432 19.024 1.00 26.48 C +ATOM 1709 O PHE B 100 40.230 -4.518 19.555 1.00 24.69 O +ATOM 1710 CB PHE B 100 41.072 -3.518 16.780 1.00 25.79 C +ATOM 1711 CG PHE B 100 41.950 -2.872 15.732 1.00 27.27 C +ATOM 1712 CD1 PHE B 100 41.839 -1.515 15.442 1.00 29.72 C +ATOM 1713 CD2 PHE B 100 42.801 -3.655 14.999 1.00 33.82 C +ATOM 1714 CE1 PHE B 100 42.615 -0.934 14.465 1.00 33.73 C +ATOM 1715 CE2 PHE B 100 43.625 -3.053 14.024 1.00 33.81 C +ATOM 1716 CZ PHE B 100 43.488 -1.697 13.777 1.00 32.02 C +ATOM 1717 N GLY B 101 38.957 -2.700 19.246 1.00 26.71 N +ATOM 1718 CA GLY B 101 37.798 -3.217 19.963 1.00 27.41 C +ATOM 1719 C GLY B 101 36.984 -4.070 18.980 1.00 27.70 C +ATOM 1720 O GLY B 101 35.784 -3.769 18.761 1.00 27.96 O +ATOM 1721 N ASP B 102 37.615 -5.133 18.436 1.00 27.75 N +ATOM 1722 CA ASP B 102 37.038 -5.957 17.391 1.00 27.51 C +ATOM 1723 C ASP B 102 37.019 -7.391 17.940 1.00 27.59 C +ATOM 1724 O ASP B 102 38.054 -8.047 17.960 1.00 27.01 O +ATOM 1725 CB ASP B 102 37.856 -5.844 16.093 1.00 29.56 C +ATOM 1726 CG ASP B 102 37.397 -6.820 14.985 1.00 27.56 C +ATOM 1727 OD1 ASP B 102 36.358 -7.502 15.194 1.00 28.66 O +ATOM 1728 OD2 ASP B 102 38.070 -6.880 13.901 1.00 29.75 O +ATOM 1729 N LEU B 103 35.836 -7.839 18.349 1.00 26.17 N +ATOM 1730 CA LEU B 103 35.665 -9.215 18.866 1.00 26.52 C +ATOM 1731 C LEU B 103 35.081 -10.179 17.869 1.00 26.57 C +ATOM 1732 O LEU B 103 34.558 -11.268 18.240 1.00 25.07 O +ATOM 1733 CB LEU B 103 34.832 -9.109 20.135 1.00 27.88 C +ATOM 1734 CG LEU B 103 35.542 -8.695 21.433 1.00 32.43 C +ATOM 1735 CD1 LEU B 103 36.740 -7.759 21.389 1.00 34.40 C +ATOM 1736 CD2 LEU B 103 34.475 -8.415 22.503 1.00 32.40 C +ATOM 1737 N SER B 104 35.200 -9.877 16.565 1.00 26.68 N +ATOM 1738 CA SER B 104 34.639 -10.726 15.523 1.00 27.27 C +ATOM 1739 C SER B 104 35.215 -12.163 15.576 1.00 27.42 C +ATOM 1740 O SER B 104 34.515 -13.148 15.256 1.00 26.13 O +ATOM 1741 CB SER B 104 34.849 -10.080 14.145 1.00 26.74 C +ATOM 1742 OG SER B 104 36.222 -9.768 13.886 1.00 28.16 O +ATOM 1743 N GLN B 105 36.487 -12.234 15.894 1.00 27.50 N +ATOM 1744 CA GLN B 105 37.181 -13.496 16.120 1.00 29.08 C +ATOM 1745 C GLN B 105 37.596 -13.583 17.596 1.00 27.79 C +ATOM 1746 O GLN B 105 38.733 -13.990 17.911 1.00 27.87 O +ATOM 1747 CB GLN B 105 38.371 -13.617 15.161 1.00 29.95 C +ATOM 1748 CG GLN B 105 37.969 -13.638 13.697 1.00 34.82 C +ATOM 1749 CD GLN B 105 36.988 -14.766 13.375 1.00 40.54 C +ATOM 1750 OE1 GLN B 105 37.134 -15.893 13.872 1.00 44.53 O +ATOM 1751 NE2 GLN B 105 36.003 -14.480 12.508 1.00 43.88 N +ATOM 1752 N GLY B 106 36.702 -13.197 18.504 1.00 27.45 N +ATOM 1753 CA GLY B 106 37.018 -13.112 19.928 1.00 27.64 C +ATOM 1754 C GLY B 106 38.233 -12.223 20.155 1.00 28.73 C +ATOM 1755 O GLY B 106 38.413 -11.230 19.488 1.00 27.70 O +ATOM 1756 N CYS B 107 39.109 -12.608 21.085 1.00 28.03 N +ATOM 1757 CA CYS B 107 40.311 -11.834 21.392 1.00 28.87 C +ATOM 1758 C CYS B 107 41.328 -11.809 20.246 1.00 28.01 C +ATOM 1759 O CYS B 107 42.211 -10.944 20.218 1.00 27.77 O +ATOM 1760 CB CYS B 107 40.991 -12.439 22.652 1.00 29.28 C +ATOM 1761 SG CYS B 107 39.864 -12.507 23.989 1.00 38.37 S +ATOM 1762 N GLU B 108 41.211 -12.724 19.286 1.00 26.63 N +ATOM 1763 CA GLU B 108 42.181 -12.828 18.201 1.00 28.10 C +ATOM 1764 C GLU B 108 42.185 -11.666 17.260 1.00 27.68 C +ATOM 1765 O GLU B 108 43.224 -11.361 16.710 1.00 30.67 O +ATOM 1766 CB GLU B 108 41.997 -14.106 17.410 1.00 29.51 C +ATOM 1767 CG GLU B 108 42.077 -15.360 18.293 1.00 30.55 C +ATOM 1768 CD GLU B 108 43.374 -15.471 19.072 1.00 35.22 C +ATOM 1769 OE1 GLU B 108 44.479 -15.243 18.499 1.00 42.42 O +ATOM 1770 OE2 GLU B 108 43.324 -15.796 20.254 1.00 39.71 O +ATOM 1771 N SER B 109 41.026 -11.031 17.066 1.00 25.95 N +ATOM 1772 CA SER B 109 40.848 -9.929 16.132 1.00 25.40 C +ATOM 1773 C SER B 109 41.139 -8.546 16.743 1.00 25.49 C +ATOM 1774 O SER B 109 40.977 -7.535 16.035 1.00 26.26 O +ATOM 1775 CB SER B 109 39.408 -9.975 15.558 1.00 25.89 C +ATOM 1776 OG SER B 109 38.511 -10.289 16.585 1.00 25.16 O +ATOM 1777 N THR B 110 41.609 -8.489 17.981 1.00 26.61 N +ATOM 1778 CA THR B 110 41.855 -7.216 18.678 1.00 26.22 C +ATOM 1779 C THR B 110 43.204 -6.605 18.281 1.00 27.36 C +ATOM 1780 O THR B 110 43.530 -5.492 18.676 1.00 27.76 O +ATOM 1781 CB THR B 110 41.749 -7.362 20.186 1.00 28.62 C +ATOM 1782 OG1 THR B 110 42.809 -8.226 20.644 1.00 27.11 O +ATOM 1783 CG2 THR B 110 40.351 -7.864 20.624 1.00 26.48 C +ATOM 1784 N GLY B 111 43.956 -7.296 17.437 1.00 26.68 N +ATOM 1785 CA GLY B 111 45.224 -6.747 16.938 1.00 26.47 C +ATOM 1786 C GLY B 111 46.363 -6.792 17.935 1.00 26.82 C +ATOM 1787 O GLY B 111 46.292 -7.504 18.953 1.00 26.59 O +ATOM 1788 N PRO B 112 47.431 -6.028 17.634 1.00 27.51 N +ATOM 1789 CA PRO B 112 48.594 -6.014 18.501 1.00 27.61 C +ATOM 1790 C PRO B 112 48.364 -5.057 19.671 1.00 27.43 C +ATOM 1791 O PRO B 112 47.247 -4.502 19.827 1.00 27.47 O +ATOM 1792 CB PRO B 112 49.692 -5.512 17.574 1.00 27.26 C +ATOM 1793 CG PRO B 112 49.024 -4.572 16.677 1.00 27.61 C +ATOM 1794 CD PRO B 112 47.631 -5.136 16.474 1.00 26.43 C +ATOM 1795 N HIS B 113 49.374 -4.881 20.513 1.00 25.71 N +ATOM 1796 CA HIS B 113 49.257 -3.906 21.605 1.00 25.60 C +ATOM 1797 C HIS B 113 49.023 -2.491 21.034 1.00 26.35 C +ATOM 1798 O HIS B 113 49.660 -2.069 20.054 1.00 26.45 O +ATOM 1799 CB HIS B 113 50.518 -3.892 22.497 1.00 26.56 C +ATOM 1800 CG HIS B 113 50.698 -5.160 23.257 1.00 22.52 C +ATOM 1801 ND1 HIS B 113 51.572 -5.293 24.319 1.00 26.35 N +ATOM 1802 CD2 HIS B 113 50.078 -6.349 23.130 1.00 28.67 C +ATOM 1803 CE1 HIS B 113 51.483 -6.515 24.799 1.00 28.25 C +ATOM 1804 NE2 HIS B 113 50.596 -7.183 24.090 1.00 28.88 N +ATOM 1805 N TYR B 114 48.153 -1.757 21.715 1.00 25.95 N +ATOM 1806 CA TYR B 114 47.946 -0.355 21.322 1.00 25.68 C +ATOM 1807 C TYR B 114 49.232 0.448 21.576 1.00 26.05 C +ATOM 1808 O TYR B 114 49.752 0.462 22.693 1.00 26.93 O +ATOM 1809 CB TYR B 114 46.709 0.231 22.002 1.00 27.14 C +ATOM 1810 CG TYR B 114 46.379 1.651 21.624 1.00 26.32 C +ATOM 1811 CD1 TYR B 114 46.265 2.062 20.294 1.00 27.36 C +ATOM 1812 CD2 TYR B 114 46.114 2.596 22.628 1.00 29.00 C +ATOM 1813 CE1 TYR B 114 45.982 3.402 19.981 1.00 30.00 C +ATOM 1814 CE2 TYR B 114 45.779 3.916 22.312 1.00 31.49 C +ATOM 1815 CZ TYR B 114 45.714 4.305 21.005 1.00 29.94 C +ATOM 1816 OH TYR B 114 45.415 5.639 20.727 1.00 30.00 O +ATOM 1817 N ASN B 115 49.737 1.095 20.538 1.00 27.09 N +ATOM 1818 CA ASN B 115 51.037 1.780 20.646 1.00 27.79 C +ATOM 1819 C ASN B 115 51.057 3.148 19.908 1.00 27.95 C +ATOM 1820 O ASN B 115 51.851 3.366 19.010 1.00 28.24 O +ATOM 1821 CB ASN B 115 52.095 0.809 20.161 1.00 27.26 C +ATOM 1822 CG ASN B 115 53.468 1.300 20.398 1.00 27.63 C +ATOM 1823 OD1 ASN B 115 53.703 2.230 21.193 1.00 26.76 O +ATOM 1824 ND2 ASN B 115 54.383 0.734 19.693 1.00 27.40 N +ATOM 1825 N PRO B 116 50.202 4.091 20.362 1.00 28.16 N +ATOM 1826 CA PRO B 116 50.050 5.387 19.698 1.00 29.52 C +ATOM 1827 C PRO B 116 51.298 6.245 19.759 1.00 31.01 C +ATOM 1828 O PRO B 116 51.452 7.093 18.906 1.00 31.63 O +ATOM 1829 CB PRO B 116 48.923 6.059 20.497 1.00 29.07 C +ATOM 1830 CG PRO B 116 48.993 5.472 21.776 1.00 29.03 C +ATOM 1831 CD PRO B 116 49.357 4.015 21.546 1.00 28.69 C +ATOM 1832 N LEU B 117 52.169 6.046 20.762 1.00 31.92 N +ATOM 1833 CA LEU B 117 53.340 6.947 20.942 1.00 32.44 C +ATOM 1834 C LEU B 117 54.616 6.300 20.411 1.00 31.13 C +ATOM 1835 O LEU B 117 55.697 6.883 20.518 1.00 32.65 O +ATOM 1836 CB LEU B 117 53.516 7.407 22.415 1.00 33.14 C +ATOM 1837 CG LEU B 117 52.355 8.118 23.159 1.00 35.96 C +ATOM 1838 CD1 LEU B 117 52.766 8.541 24.616 1.00 37.51 C +ATOM 1839 CD2 LEU B 117 51.895 9.359 22.409 1.00 35.52 C +ATOM 1840 N ALA B 118 54.483 5.132 19.779 1.00 30.71 N +ATOM 1841 CA ALA B 118 55.606 4.440 19.119 1.00 30.68 C +ATOM 1842 C ALA B 118 56.769 4.164 20.093 1.00 30.19 C +ATOM 1843 O ALA B 118 57.866 4.692 19.910 1.00 32.23 O +ATOM 1844 CB ALA B 118 56.123 5.233 17.929 1.00 29.04 C +ATOM 1845 N VAL B 119 56.517 3.326 21.099 1.00 29.69 N +ATOM 1846 CA VAL B 119 57.535 2.915 22.089 1.00 28.70 C +ATOM 1847 C VAL B 119 57.498 1.352 22.217 1.00 29.03 C +ATOM 1848 O VAL B 119 56.475 0.714 21.901 1.00 27.55 O +ATOM 1849 CB VAL B 119 57.303 3.616 23.463 1.00 27.56 C +ATOM 1850 CG1 VAL B 119 57.423 5.150 23.331 1.00 28.76 C +ATOM 1851 CG2 VAL B 119 55.975 3.271 24.068 1.00 28.73 C +ATOM 1852 N PRO B 120 58.614 0.712 22.648 1.00 28.27 N +ATOM 1853 CA PRO B 120 58.598 -0.768 22.756 1.00 28.67 C +ATOM 1854 C PRO B 120 57.797 -1.277 23.941 1.00 27.34 C +ATOM 1855 O PRO B 120 57.635 -0.564 24.939 1.00 27.98 O +ATOM 1856 CB PRO B 120 60.074 -1.133 22.976 1.00 29.32 C +ATOM 1857 CG PRO B 120 60.697 0.118 23.524 1.00 29.76 C +ATOM 1858 CD PRO B 120 59.933 1.291 22.996 1.00 28.91 C +ATOM 1859 N HIS B 121 57.371 -2.519 23.843 1.00 27.15 N +ATOM 1860 CA HIS B 121 56.851 -3.229 25.023 1.00 26.53 C +ATOM 1861 C HIS B 121 57.981 -3.299 26.068 1.00 26.53 C +ATOM 1862 O HIS B 121 59.125 -3.598 25.730 1.00 28.49 O +ATOM 1863 CB HIS B 121 56.352 -4.646 24.658 1.00 25.56 C +ATOM 1864 CG HIS B 121 55.662 -5.343 25.789 1.00 26.46 C +ATOM 1865 ND1 HIS B 121 54.327 -5.132 26.061 1.00 24.65 N +ATOM 1866 CD2 HIS B 121 56.084 -6.290 26.678 1.00 25.56 C +ATOM 1867 CE1 HIS B 121 53.987 -5.832 27.128 1.00 24.67 C +ATOM 1868 NE2 HIS B 121 55.032 -6.569 27.513 1.00 26.14 N +ATOM 1869 N PRO B 122 57.678 -3.064 27.362 1.00 26.76 N +ATOM 1870 CA PRO B 122 56.403 -2.837 28.044 1.00 26.18 C +ATOM 1871 C PRO B 122 56.037 -1.390 28.376 1.00 27.03 C +ATOM 1872 O PRO B 122 55.454 -1.126 29.431 1.00 28.49 O +ATOM 1873 CB PRO B 122 56.605 -3.618 29.328 1.00 27.07 C +ATOM 1874 CG PRO B 122 58.044 -3.301 29.672 1.00 26.62 C +ATOM 1875 CD PRO B 122 58.774 -3.145 28.341 1.00 26.26 C +ATOM 1876 N GLN B 123 56.345 -0.480 27.474 1.00 27.31 N +ATOM 1877 CA GLN B 123 56.005 0.937 27.663 1.00 28.72 C +ATOM 1878 C GLN B 123 54.770 1.377 26.944 1.00 28.30 C +ATOM 1879 O GLN B 123 54.461 2.597 26.892 1.00 27.97 O +ATOM 1880 CB GLN B 123 57.168 1.802 27.222 1.00 29.10 C +ATOM 1881 CG GLN B 123 58.429 1.584 27.998 1.00 30.44 C +ATOM 1882 CD GLN B 123 59.468 2.582 27.641 1.00 34.38 C +ATOM 1883 OE1 GLN B 123 59.180 3.794 27.532 1.00 35.80 O +ATOM 1884 NE2 GLN B 123 60.698 2.106 27.452 1.00 39.36 N +ATOM 1885 N HIS B 124 54.027 0.422 26.389 1.00 26.38 N +ATOM 1886 CA HIS B 124 52.746 0.785 25.766 1.00 26.68 C +ATOM 1887 C HIS B 124 51.803 1.284 26.849 1.00 28.42 C +ATOM 1888 O HIS B 124 51.887 0.883 28.018 1.00 28.93 O +ATOM 1889 CB HIS B 124 52.119 -0.398 25.036 1.00 28.13 C +ATOM 1890 CG HIS B 124 53.022 -1.048 24.041 1.00 27.00 C +ATOM 1891 ND1 HIS B 124 53.151 -2.419 23.918 1.00 25.02 N +ATOM 1892 CD2 HIS B 124 53.830 -0.498 23.106 1.00 26.53 C +ATOM 1893 CE1 HIS B 124 53.976 -2.672 22.913 1.00 25.66 C +ATOM 1894 NE2 HIS B 124 54.413 -1.518 22.411 1.00 26.06 N +ATOM 1895 N PRO B 125 50.907 2.207 26.491 1.00 30.76 N +ATOM 1896 CA PRO B 125 50.028 2.790 27.521 1.00 32.04 C +ATOM 1897 C PRO B 125 49.167 1.815 28.327 1.00 32.92 C +ATOM 1898 O PRO B 125 49.022 1.983 29.563 1.00 33.78 O +ATOM 1899 CB PRO B 125 49.132 3.765 26.699 1.00 33.06 C +ATOM 1900 CG PRO B 125 49.282 3.319 25.275 1.00 32.57 C +ATOM 1901 CD PRO B 125 50.667 2.782 25.155 1.00 31.56 C +ATOM 1902 N GLY B 126 48.652 0.791 27.653 1.00 31.08 N +ATOM 1903 CA GLY B 126 47.886 -0.273 28.257 1.00 31.18 C +ATOM 1904 C GLY B 126 48.668 -1.513 28.614 1.00 31.28 C +ATOM 1905 O GLY B 126 48.104 -2.566 28.847 1.00 31.76 O +ATOM 1906 N ASP B 127 49.989 -1.383 28.771 1.00 30.01 N +ATOM 1907 CA ASP B 127 50.818 -2.483 29.272 1.00 28.82 C +ATOM 1908 C ASP B 127 50.627 -2.501 30.800 1.00 29.96 C +ATOM 1909 O ASP B 127 51.363 -1.865 31.528 1.00 30.70 O +ATOM 1910 CB ASP B 127 52.285 -2.288 28.881 1.00 27.56 C +ATOM 1911 CG ASP B 127 52.582 -2.691 27.470 1.00 25.57 C +ATOM 1912 OD1 ASP B 127 51.793 -3.461 26.810 1.00 24.35 O +ATOM 1913 OD2 ASP B 127 53.659 -2.267 27.023 1.00 26.57 O +ATOM 1914 N PHE B 128 49.616 -3.222 31.271 1.00 30.00 N +ATOM 1915 CA PHE B 128 49.266 -3.188 32.707 1.00 30.41 C +ATOM 1916 C PHE B 128 50.055 -4.097 33.623 1.00 30.74 C +ATOM 1917 O PHE B 128 49.901 -4.009 34.847 1.00 30.54 O +ATOM 1918 CB PHE B 128 47.777 -3.481 32.898 1.00 30.24 C +ATOM 1919 CG PHE B 128 46.844 -2.520 32.176 1.00 30.92 C +ATOM 1920 CD1 PHE B 128 47.100 -1.146 32.140 1.00 30.79 C +ATOM 1921 CD2 PHE B 128 45.654 -2.971 31.597 1.00 29.42 C +ATOM 1922 CE1 PHE B 128 46.244 -0.273 31.514 1.00 31.56 C +ATOM 1923 CE2 PHE B 128 44.768 -2.049 30.946 1.00 29.90 C +ATOM 1924 CZ PHE B 128 45.089 -0.728 30.916 1.00 32.79 C +ATOM 1925 N GLY B 129 50.821 -5.002 33.034 1.00 29.65 N +ATOM 1926 CA GLY B 129 51.754 -5.827 33.745 1.00 29.84 C +ATOM 1927 C GLY B 129 51.106 -7.133 34.148 1.00 28.53 C +ATOM 1928 O GLY B 129 50.119 -7.573 33.555 1.00 28.44 O +ATOM 1929 N ASN B 130 51.708 -7.746 35.148 1.00 28.83 N +ATOM 1930 CA ASN B 130 51.280 -9.050 35.651 1.00 27.62 C +ATOM 1931 C ASN B 130 50.467 -8.872 36.916 1.00 28.45 C +ATOM 1932 O ASN B 130 50.759 -7.978 37.737 1.00 29.79 O +ATOM 1933 CB ASN B 130 52.488 -9.916 35.967 1.00 28.09 C +ATOM 1934 CG ASN B 130 53.261 -10.278 34.739 1.00 25.54 C +ATOM 1935 OD1 ASN B 130 54.520 -10.127 34.698 1.00 30.57 O +ATOM 1936 ND2 ASN B 130 52.561 -10.724 33.736 1.00 23.48 N +ATOM 1937 N PHE B 131 49.464 -9.727 37.070 1.00 26.34 N +ATOM 1938 CA PHE B 131 48.570 -9.711 38.229 1.00 27.21 C +ATOM 1939 C PHE B 131 48.574 -11.064 38.920 1.00 28.53 C +ATOM 1940 O PHE B 131 48.554 -12.069 38.250 1.00 28.74 O +ATOM 1941 CB PHE B 131 47.136 -9.407 37.774 1.00 26.97 C +ATOM 1942 CG PHE B 131 46.960 -8.026 37.193 1.00 26.91 C +ATOM 1943 CD1 PHE B 131 46.401 -7.004 37.948 1.00 31.04 C +ATOM 1944 CD2 PHE B 131 47.398 -7.725 35.904 1.00 28.19 C +ATOM 1945 CE1 PHE B 131 46.271 -5.729 37.411 1.00 29.23 C +ATOM 1946 CE2 PHE B 131 47.277 -6.427 35.377 1.00 29.24 C +ATOM 1947 CZ PHE B 131 46.726 -5.443 36.136 1.00 27.28 C +ATOM 1948 N ALA B 132 48.577 -11.041 40.248 1.00 28.57 N +ATOM 1949 CA ALA B 132 48.570 -12.263 41.082 1.00 29.40 C +ATOM 1950 C ALA B 132 47.178 -12.850 41.054 1.00 30.37 C +ATOM 1951 O ALA B 132 46.177 -12.175 41.339 1.00 32.54 O +ATOM 1952 CB ALA B 132 48.953 -11.946 42.501 1.00 29.76 C +ATOM 1953 N VAL B 133 47.103 -14.075 40.599 1.00 30.49 N +ATOM 1954 CA VAL B 133 45.900 -14.844 40.663 1.00 30.70 C +ATOM 1955 C VAL B 133 46.033 -15.824 41.826 1.00 31.52 C +ATOM 1956 O VAL B 133 47.047 -16.526 41.951 1.00 30.74 O +ATOM 1957 CB VAL B 133 45.693 -15.598 39.348 1.00 31.23 C +ATOM 1958 CG1 VAL B 133 44.487 -16.541 39.459 1.00 31.65 C +ATOM 1959 CG2 VAL B 133 45.519 -14.615 38.199 1.00 31.23 C +ATOM 1960 N ARG B 134 45.024 -15.860 42.687 1.00 31.84 N +ATOM 1961 CA ARG B 134 45.037 -16.758 43.846 1.00 32.83 C +ATOM 1962 C ARG B 134 43.694 -17.436 43.929 1.00 32.59 C +ATOM 1963 O ARG B 134 42.675 -16.764 43.955 1.00 32.86 O +ATOM 1964 CB ARG B 134 45.318 -15.971 45.126 1.00 33.14 C +ATOM 1965 CG ARG B 134 46.592 -15.079 45.054 1.00 37.05 C +ATOM 1966 CD ARG B 134 46.775 -14.272 46.341 0.50 39.58 C +ATOM 1967 NE ARG B 134 47.769 -13.197 46.222 0.50 41.20 N +ATOM 1968 CZ ARG B 134 47.553 -11.989 45.700 0.50 42.27 C +ATOM 1969 NH1 ARG B 134 46.370 -11.659 45.185 0.50 41.48 N +ATOM 1970 NH2 ARG B 134 48.551 -11.105 45.670 0.50 43.20 N +ATOM 1971 N ASP B 135 43.697 -18.765 43.908 1.00 33.08 N +ATOM 1972 CA ASP B 135 42.478 -19.559 44.001 1.00 33.73 C +ATOM 1973 C ASP B 135 41.434 -19.219 42.919 1.00 32.68 C +ATOM 1974 O ASP B 135 40.230 -19.186 43.183 1.00 32.98 O +ATOM 1975 CB ASP B 135 41.873 -19.399 45.391 1.00 33.98 C +ATOM 1976 CG ASP B 135 40.946 -20.546 45.757 1.00 39.06 C +ATOM 1977 OD1 ASP B 135 41.354 -21.721 45.557 1.00 41.72 O +ATOM 1978 OD2 ASP B 135 39.810 -20.273 46.240 1.00 44.63 O +ATOM 1979 N GLY B 136 41.911 -18.944 41.714 1.00 32.77 N +ATOM 1980 CA GLY B 136 41.060 -18.702 40.564 1.00 32.34 C +ATOM 1981 C GLY B 136 40.722 -17.244 40.335 1.00 31.97 C +ATOM 1982 O GLY B 136 40.161 -16.927 39.298 1.00 31.64 O +ATOM 1983 N SER B 137 41.078 -16.374 41.282 1.00 32.01 N +ATOM 1984 CA SER B 137 40.642 -14.986 41.265 1.00 33.08 C +ATOM 1985 C SER B 137 41.753 -13.979 41.247 1.00 32.83 C +ATOM 1986 O SER B 137 42.826 -14.203 41.779 1.00 30.49 O +ATOM 1987 CB SER B 137 39.806 -14.703 42.495 1.00 34.75 C +ATOM 1988 OG SER B 137 38.715 -15.595 42.541 1.00 37.96 O +ATOM 1989 N LEU B 138 41.411 -12.814 40.722 1.00 32.01 N +ATOM 1990 CA LEU B 138 42.338 -11.706 40.517 1.00 34.39 C +ATOM 1991 C LEU B 138 41.605 -10.428 40.999 1.00 34.60 C +ATOM 1992 O LEU B 138 40.424 -10.234 40.694 1.00 34.73 O +ATOM 1993 CB LEU B 138 42.651 -11.646 39.028 1.00 34.44 C +ATOM 1994 CG LEU B 138 43.643 -10.651 38.478 1.00 36.26 C +ATOM 1995 CD1 LEU B 138 44.095 -11.092 37.065 1.00 34.66 C +ATOM 1996 CD2 LEU B 138 43.084 -9.228 38.451 1.00 32.30 C +ATOM 1997 N TRP B 139 42.277 -9.583 41.774 1.00 33.26 N +ATOM 1998 CA TRP B 139 41.625 -8.381 42.340 1.00 32.91 C +ATOM 1999 C TRP B 139 42.718 -7.390 42.650 1.00 32.29 C +ATOM 2000 O TRP B 139 43.614 -7.663 43.473 1.00 31.66 O +ATOM 2001 CB TRP B 139 40.794 -8.743 43.574 1.00 33.39 C +ATOM 2002 CG TRP B 139 40.224 -7.581 44.354 0.50 34.54 C +ATOM 2003 CD1 TRP B 139 40.918 -6.683 45.120 0.50 37.11 C +ATOM 2004 CD2 TRP B 139 38.840 -7.237 44.493 0.50 36.29 C +ATOM 2005 NE1 TRP B 139 40.054 -5.789 45.709 0.50 38.22 N +ATOM 2006 CE2 TRP B 139 38.772 -6.103 45.338 0.50 37.91 C +ATOM 2007 CE3 TRP B 139 37.654 -7.765 43.975 0.50 37.02 C +ATOM 2008 CZ2 TRP B 139 37.560 -5.491 45.684 0.50 37.94 C +ATOM 2009 CZ3 TRP B 139 36.443 -7.150 44.305 0.50 36.87 C +ATOM 2010 CH2 TRP B 139 36.407 -6.026 45.158 0.50 37.34 C +ATOM 2011 N ARG B 140 42.687 -6.255 41.971 1.00 29.85 N +ATOM 2012 CA ARG B 140 43.765 -5.327 42.083 1.00 30.88 C +ATOM 2013 C ARG B 140 43.352 -3.925 41.681 1.00 28.36 C +ATOM 2014 O ARG B 140 42.632 -3.762 40.725 1.00 29.15 O +ATOM 2015 CB ARG B 140 44.907 -5.811 41.200 1.00 31.46 C +ATOM 2016 CG ARG B 140 46.126 -4.918 41.208 1.00 36.53 C +ATOM 2017 CD ARG B 140 46.978 -5.148 42.406 1.00 43.70 C +ATOM 2018 NE ARG B 140 48.282 -4.566 42.140 1.00 50.33 N +ATOM 2019 CZ ARG B 140 48.777 -3.494 42.744 1.00 55.98 C +ATOM 2020 NH1 ARG B 140 48.113 -2.902 43.737 1.00 58.79 N +ATOM 2021 NH2 ARG B 140 49.979 -3.046 42.377 1.00 58.02 N +ATOM 2022 N TYR B 141 43.839 -2.943 42.423 1.00 28.39 N +ATOM 2023 CA TYR B 141 43.736 -1.558 42.047 1.00 28.29 C +ATOM 2024 C TYR B 141 45.097 -1.045 41.598 1.00 28.71 C +ATOM 2025 O TYR B 141 46.108 -1.242 42.330 1.00 28.51 O +ATOM 2026 CB TYR B 141 43.282 -0.811 43.252 1.00 28.75 C +ATOM 2027 CG TYR B 141 42.985 0.610 43.003 1.00 33.33 C +ATOM 2028 CD1 TYR B 141 41.717 0.991 42.616 1.00 35.03 C +ATOM 2029 CD2 TYR B 141 43.958 1.588 43.169 1.00 36.69 C +ATOM 2030 CE1 TYR B 141 41.418 2.325 42.400 1.00 38.83 C +ATOM 2031 CE2 TYR B 141 43.671 2.957 42.945 1.00 39.25 C +ATOM 2032 CZ TYR B 141 42.395 3.305 42.559 1.00 38.67 C +ATOM 2033 OH TYR B 141 42.031 4.617 42.346 1.00 39.66 O +ATOM 2034 N ARG B 142 45.152 -0.405 40.441 1.00 28.83 N +ATOM 2035 CA ARG B 142 46.375 0.251 39.963 1.00 30.79 C +ATOM 2036 C ARG B 142 46.175 1.726 39.724 1.00 30.99 C +ATOM 2037 O ARG B 142 45.257 2.120 39.005 1.00 31.89 O +ATOM 2038 CB ARG B 142 46.799 -0.325 38.643 1.00 32.20 C +ATOM 2039 CG ARG B 142 47.299 -1.731 38.711 1.00 37.22 C +ATOM 2040 CD ARG B 142 48.807 -1.736 38.505 1.00 39.41 C +ATOM 2041 NE ARG B 142 49.238 -2.874 37.686 1.00 45.93 N +ATOM 2042 CZ ARG B 142 49.431 -4.105 38.171 1.00 47.40 C +ATOM 2043 NH1 ARG B 142 49.191 -4.357 39.447 1.00 50.79 N +ATOM 2044 NH2 ARG B 142 49.885 -5.101 37.409 1.00 44.55 N +ATOM 2045 N ALA B 143 47.055 2.536 40.299 1.00 29.58 N +ATOM 2046 CA ALA B 143 46.980 3.982 40.157 1.00 30.56 C +ATOM 2047 C ALA B 143 48.072 4.459 39.186 1.00 31.49 C +ATOM 2048 O ALA B 143 49.140 3.853 39.086 1.00 33.03 O +ATOM 2049 CB ALA B 143 47.167 4.642 41.504 1.00 29.33 C +ATOM 2050 N GLY B 144 47.794 5.527 38.459 1.00 32.43 N +ATOM 2051 CA GLY B 144 48.857 6.240 37.775 1.00 32.97 C +ATOM 2052 C GLY B 144 49.367 5.566 36.523 1.00 32.84 C +ATOM 2053 O GLY B 144 50.558 5.649 36.233 1.00 33.59 O +ATOM 2054 N LEU B 145 48.457 4.923 35.785 1.00 32.38 N +ATOM 2055 CA LEU B 145 48.756 4.250 34.510 1.00 32.19 C +ATOM 2056 C LEU B 145 48.913 5.291 33.422 1.00 32.26 C +ATOM 2057 O LEU B 145 48.263 6.351 33.456 1.00 31.54 O +ATOM 2058 CB LEU B 145 47.656 3.254 34.138 1.00 33.13 C +ATOM 2059 CG LEU B 145 47.497 2.126 35.168 1.00 32.94 C +ATOM 2060 CD1 LEU B 145 46.191 1.380 35.048 1.00 36.93 C +ATOM 2061 CD2 LEU B 145 48.714 1.202 35.077 1.00 36.63 C +ATOM 2062 N ALA B 146 49.802 5.024 32.471 0.70 33.41 N +ATOM 2063 CA ALA B 146 50.040 5.958 31.373 0.70 34.16 C +ATOM 2064 C ALA B 146 49.182 5.617 30.160 0.70 35.05 C +ATOM 2065 O ALA B 146 49.725 5.577 29.066 0.70 37.07 O +ATOM 2066 CB ALA B 146 51.512 5.952 30.982 0.70 35.12 C +ATOM 2067 N ALA B 147 47.924 5.193 30.369 1.00 34.50 N +ATOM 2068 CA ALA B 147 46.850 5.196 29.352 1.00 32.71 C +ATOM 2069 C ALA B 147 45.904 6.387 29.596 1.00 31.90 C +ATOM 2070 O ALA B 147 45.976 7.032 30.650 1.00 32.01 O +ATOM 2071 CB ALA B 147 46.098 3.881 29.354 1.00 34.10 C +ATOM 2072 N SER B 148 45.040 6.718 28.618 1.00 29.92 N +ATOM 2073 CA SER B 148 44.120 7.845 28.739 1.00 28.83 C +ATOM 2074 C SER B 148 42.748 7.426 28.243 1.00 28.09 C +ATOM 2075 O SER B 148 42.673 6.583 27.391 1.00 27.98 O +ATOM 2076 CB SER B 148 44.580 9.054 27.905 1.00 29.38 C +ATOM 2077 OG SER B 148 43.725 10.171 28.117 1.00 30.07 O +ATOM 2078 N LEU B 149 41.688 8.009 28.806 1.00 27.47 N +ATOM 2079 CA LEU B 149 40.340 7.904 28.254 1.00 28.95 C +ATOM 2080 C LEU B 149 39.981 9.104 27.380 1.00 30.67 C +ATOM 2081 O LEU B 149 38.931 9.149 26.770 1.00 31.36 O +ATOM 2082 CB LEU B 149 39.324 7.816 29.377 1.00 28.20 C +ATOM 2083 CG LEU B 149 39.524 6.691 30.380 1.00 27.97 C +ATOM 2084 CD1 LEU B 149 38.427 6.839 31.417 1.00 26.34 C +ATOM 2085 CD2 LEU B 149 39.532 5.278 29.687 1.00 26.06 C +ATOM 2086 N ALA B 150 40.800 10.143 27.429 1.00 32.94 N +ATOM 2087 CA ALA B 150 40.594 11.340 26.643 1.00 32.48 C +ATOM 2088 C ALA B 150 41.664 11.446 25.546 1.00 33.79 C +ATOM 2089 O ALA B 150 42.781 10.941 25.684 1.00 33.77 O +ATOM 2090 CB ALA B 150 40.692 12.575 27.561 1.00 33.54 C +ATOM 2091 N GLY B 151 41.334 12.139 24.463 1.00 33.80 N +ATOM 2092 CA GLY B 151 42.391 12.700 23.608 1.00 34.52 C +ATOM 2093 C GLY B 151 42.653 11.766 22.452 1.00 35.23 C +ATOM 2094 O GLY B 151 42.014 10.696 22.325 1.00 35.59 O +ATOM 2095 N PRO B 152 43.647 12.114 21.631 1.00 35.46 N +ATOM 2096 CA PRO B 152 43.848 11.305 20.434 1.00 35.51 C +ATOM 2097 C PRO B 152 44.321 9.910 20.729 1.00 34.23 C +ATOM 2098 O PRO B 152 44.213 9.016 19.873 1.00 35.01 O +ATOM 2099 CB PRO B 152 44.922 12.064 19.680 1.00 35.89 C +ATOM 2100 CG PRO B 152 45.686 12.852 20.751 1.00 36.68 C +ATOM 2101 CD PRO B 152 44.608 13.226 21.742 1.00 36.51 C +ATOM 2102 N HIS B 153 44.865 9.702 21.925 1.00 32.50 N +ATOM 2103 CA HIS B 153 45.402 8.400 22.244 1.00 30.82 C +ATOM 2104 C HIS B 153 44.506 7.578 23.175 1.00 30.39 C +ATOM 2105 O HIS B 153 44.971 6.642 23.785 1.00 30.37 O +ATOM 2106 CB HIS B 153 46.795 8.507 22.807 1.00 31.08 C +ATOM 2107 CG HIS B 153 47.688 9.388 21.997 1.00 34.37 C +ATOM 2108 ND1 HIS B 153 48.499 10.348 22.560 1.00 42.70 N +ATOM 2109 CD2 HIS B 153 47.861 9.477 20.662 1.00 36.93 C +ATOM 2110 CE1 HIS B 153 49.135 10.997 21.599 1.00 41.57 C +ATOM 2111 NE2 HIS B 153 48.787 10.466 20.436 1.00 41.10 N +ATOM 2112 N SER B 154 43.221 7.861 23.185 1.00 29.01 N +ATOM 2113 CA SER B 154 42.265 7.225 24.098 1.00 27.95 C +ATOM 2114 C SER B 154 42.187 5.745 23.887 1.00 27.24 C +ATOM 2115 O SER B 154 42.249 5.285 22.752 1.00 28.61 O +ATOM 2116 CB SER B 154 40.879 7.808 23.825 1.00 28.28 C +ATOM 2117 OG SER B 154 39.880 7.213 24.625 1.00 26.76 O +ATOM 2118 N ILE B 155 42.068 5.014 24.982 1.00 24.60 N +ATOM 2119 CA ILE B 155 41.793 3.559 24.929 1.00 25.63 C +ATOM 2120 C ILE B 155 40.289 3.191 24.806 1.00 25.49 C +ATOM 2121 O ILE B 155 39.934 1.982 24.721 1.00 25.76 O +ATOM 2122 CB ILE B 155 42.415 2.823 26.093 1.00 26.26 C +ATOM 2123 CG1 ILE B 155 41.843 3.192 27.474 1.00 28.47 C +ATOM 2124 CG2 ILE B 155 44.005 2.983 26.006 1.00 26.87 C +ATOM 2125 CD1 ILE B 155 42.191 2.131 28.558 1.00 30.02 C +ATOM 2126 N VAL B 156 39.427 4.210 24.877 1.00 24.88 N +ATOM 2127 CA VAL B 156 37.972 3.993 24.682 1.00 25.01 C +ATOM 2128 C VAL B 156 37.764 3.373 23.305 1.00 24.00 C +ATOM 2129 O VAL B 156 38.295 3.840 22.279 1.00 25.07 O +ATOM 2130 CB VAL B 156 37.143 5.252 24.856 1.00 25.81 C +ATOM 2131 CG1 VAL B 156 35.704 4.998 24.542 1.00 25.62 C +ATOM 2132 CG2 VAL B 156 37.253 5.687 26.303 1.00 25.84 C +ATOM 2133 N GLY B 157 36.949 2.312 23.270 1.00 26.13 N +ATOM 2134 CA GLY B 157 36.719 1.566 22.043 1.00 26.30 C +ATOM 2135 C GLY B 157 37.790 0.592 21.634 1.00 26.79 C +ATOM 2136 O GLY B 157 37.684 -0.009 20.580 1.00 27.57 O +ATOM 2137 N ARG B 158 38.849 0.471 22.446 1.00 26.81 N +ATOM 2138 CA ARG B 158 39.903 -0.531 22.200 1.00 26.04 C +ATOM 2139 C ARG B 158 39.617 -1.749 23.088 1.00 28.48 C +ATOM 2140 O ARG B 158 38.571 -1.809 23.770 1.00 27.98 O +ATOM 2141 CB ARG B 158 41.258 0.136 22.352 1.00 26.87 C +ATOM 2142 CG ARG B 158 41.316 1.321 21.446 1.00 27.96 C +ATOM 2143 CD ARG B 158 42.665 1.924 21.321 1.00 27.75 C +ATOM 2144 NE ARG B 158 42.641 3.163 20.558 1.00 27.49 N +ATOM 2145 CZ ARG B 158 42.746 3.247 19.228 1.00 26.03 C +ATOM 2146 NH1 ARG B 158 42.894 2.160 18.483 1.00 26.42 N +ATOM 2147 NH2 ARG B 158 42.724 4.426 18.612 1.00 27.43 N +ATOM 2148 N ALA B 159 40.537 -2.703 23.132 1.00 27.37 N +ATOM 2149 CA ALA B 159 40.263 -3.986 23.790 1.00 27.37 C +ATOM 2150 C ALA B 159 41.173 -4.158 25.008 1.00 28.19 C +ATOM 2151 O ALA B 159 42.403 -3.882 24.914 1.00 28.34 O +ATOM 2152 CB ALA B 159 40.423 -5.198 22.791 1.00 27.17 C +ATOM 2153 N VAL B 160 40.641 -4.639 26.121 1.00 26.22 N +ATOM 2154 CA VAL B 160 41.463 -5.171 27.201 1.00 25.88 C +ATOM 2155 C VAL B 160 41.510 -6.688 26.946 1.00 26.37 C +ATOM 2156 O VAL B 160 40.485 -7.274 26.683 1.00 27.25 O +ATOM 2157 CB VAL B 160 40.905 -4.870 28.595 1.00 26.42 C +ATOM 2158 CG1 VAL B 160 41.622 -5.675 29.720 1.00 30.40 C +ATOM 2159 CG2 VAL B 160 40.978 -3.323 28.825 1.00 25.51 C +ATOM 2160 N VAL B 161 42.698 -7.265 27.031 1.00 26.45 N +ATOM 2161 CA VAL B 161 42.910 -8.703 26.776 1.00 26.65 C +ATOM 2162 C VAL B 161 43.638 -9.311 27.961 1.00 26.49 C +ATOM 2163 O VAL B 161 44.668 -8.772 28.414 1.00 26.57 O +ATOM 2164 CB VAL B 161 43.717 -8.943 25.455 1.00 26.92 C +ATOM 2165 CG1 VAL B 161 43.952 -10.476 25.279 1.00 26.32 C +ATOM 2166 CG2 VAL B 161 42.950 -8.389 24.213 1.00 27.92 C +ATOM 2167 N VAL B 162 43.102 -10.383 28.509 1.00 25.47 N +ATOM 2168 CA VAL B 162 43.687 -11.098 29.587 1.00 24.80 C +ATOM 2169 C VAL B 162 44.313 -12.390 29.024 1.00 26.52 C +ATOM 2170 O VAL B 162 43.682 -13.092 28.208 1.00 26.92 O +ATOM 2171 CB VAL B 162 42.584 -11.501 30.626 1.00 26.23 C +ATOM 2172 CG1 VAL B 162 43.102 -12.394 31.739 1.00 26.49 C +ATOM 2173 CG2 VAL B 162 41.831 -10.249 31.080 1.00 26.44 C +ATOM 2174 N HIS B 163 45.551 -12.662 29.442 1.00 24.69 N +ATOM 2175 CA HIS B 163 46.314 -13.768 28.861 1.00 25.22 C +ATOM 2176 C HIS B 163 46.449 -14.943 29.809 1.00 25.95 C +ATOM 2177 O HIS B 163 46.273 -14.817 31.047 1.00 26.99 O +ATOM 2178 CB HIS B 163 47.727 -13.280 28.508 1.00 26.79 C +ATOM 2179 CG HIS B 163 47.787 -12.361 27.346 1.00 26.28 C +ATOM 2180 ND1 HIS B 163 48.087 -12.794 26.083 1.00 26.29 N +ATOM 2181 CD2 HIS B 163 47.536 -11.034 27.238 1.00 26.31 C +ATOM 2182 CE1 HIS B 163 48.050 -11.773 25.251 1.00 27.82 C +ATOM 2183 NE2 HIS B 163 47.723 -10.692 25.923 1.00 24.85 N +ATOM 2184 N ALA B 164 46.820 -16.105 29.263 1.00 26.04 N +ATOM 2185 CA ALA B 164 47.054 -17.299 30.044 1.00 26.46 C +ATOM 2186 C ALA B 164 48.372 -17.304 30.775 1.00 26.39 C +ATOM 2187 O ALA B 164 48.564 -18.092 31.690 1.00 28.16 O +ATOM 2188 CB ALA B 164 47.019 -18.514 29.092 1.00 26.36 C +ATOM 2189 N GLY B 165 49.329 -16.513 30.291 1.00 25.55 N +ATOM 2190 CA GLY B 165 50.644 -16.528 30.888 1.00 26.20 C +ATOM 2191 C GLY B 165 51.092 -15.191 31.442 1.00 25.42 C +ATOM 2192 O GLY B 165 50.319 -14.253 31.516 1.00 27.04 O +ATOM 2193 N GLU B 166 52.374 -15.191 31.820 1.00 26.07 N +ATOM 2194 CA GLU B 166 53.012 -14.056 32.461 1.00 26.22 C +ATOM 2195 C GLU B 166 53.734 -13.226 31.391 1.00 26.58 C +ATOM 2196 O GLU B 166 54.360 -13.758 30.484 1.00 28.79 O +ATOM 2197 CB GLU B 166 54.001 -14.598 33.504 1.00 26.29 C +ATOM 2198 CG GLU B 166 54.785 -13.560 34.309 0.50 27.44 C +ATOM 2199 CD GLU B 166 55.785 -14.208 35.256 0.50 27.43 C +ATOM 2200 OE1 GLU B 166 55.587 -15.360 35.668 0.50 26.67 O +ATOM 2201 OE2 GLU B 166 56.799 -13.559 35.565 0.50 31.37 O +ATOM 2202 N ASP B 167 53.645 -11.916 31.518 1.00 26.16 N +ATOM 2203 CA ASP B 167 54.342 -10.966 30.651 1.00 26.64 C +ATOM 2204 C ASP B 167 55.850 -10.979 31.014 1.00 27.16 C +ATOM 2205 O ASP B 167 56.210 -10.763 32.169 1.00 29.04 O +ATOM 2206 CB ASP B 167 53.784 -9.591 30.938 1.00 24.78 C +ATOM 2207 CG ASP B 167 54.118 -8.563 29.854 1.00 25.61 C +ATOM 2208 OD1 ASP B 167 55.302 -8.451 29.412 1.00 25.66 O +ATOM 2209 OD2 ASP B 167 53.161 -7.843 29.495 1.00 28.19 O +ATOM 2210 N ASP B 168 56.730 -11.209 30.033 1.00 27.76 N +ATOM 2211 CA ASP B 168 58.184 -11.230 30.295 1.00 26.40 C +ATOM 2212 C ASP B 168 58.790 -9.804 30.355 1.00 26.72 C +ATOM 2213 O ASP B 168 60.009 -9.603 30.561 1.00 25.96 O +ATOM 2214 CB ASP B 168 58.933 -12.152 29.312 1.00 26.73 C +ATOM 2215 CG ASP B 168 59.060 -11.608 27.900 1.00 26.38 C +ATOM 2216 OD1 ASP B 168 58.921 -10.373 27.615 1.00 26.51 O +ATOM 2217 OD2 ASP B 168 59.292 -12.475 27.013 1.00 28.69 O +ATOM 2218 N LEU B 169 57.922 -8.820 30.203 1.00 25.84 N +ATOM 2219 CA LEU B 169 58.253 -7.375 30.382 1.00 26.89 C +ATOM 2220 C LEU B 169 59.451 -6.916 29.568 1.00 26.90 C +ATOM 2221 O LEU B 169 60.207 -6.026 29.982 1.00 28.76 O +ATOM 2222 CB LEU B 169 58.423 -7.020 31.851 1.00 27.35 C +ATOM 2223 CG LEU B 169 57.172 -7.384 32.688 1.00 31.22 C +ATOM 2224 CD1 LEU B 169 57.471 -7.385 34.147 1.00 35.05 C +ATOM 2225 CD2 LEU B 169 56.017 -6.471 32.377 1.00 34.59 C +ATOM 2226 N GLY B 170 59.587 -7.483 28.386 1.00 26.14 N +ATOM 2227 CA GLY B 170 60.625 -7.086 27.492 1.00 26.84 C +ATOM 2228 C GLY B 170 61.937 -7.747 27.804 1.00 26.79 C +ATOM 2229 O GLY B 170 62.950 -7.403 27.196 1.00 27.44 O +ATOM 2230 N ARG B 171 61.947 -8.706 28.739 1.00 26.87 N +ATOM 2231 CA ARG B 171 63.192 -9.387 29.161 1.00 27.53 C +ATOM 2232 C ARG B 171 63.286 -10.858 28.750 1.00 26.77 C +ATOM 2233 O ARG B 171 64.137 -11.593 29.293 1.00 28.30 O +ATOM 2234 CB ARG B 171 63.376 -9.236 30.673 1.00 27.78 C +ATOM 2235 CG ARG B 171 63.349 -7.798 31.158 1.00 30.94 C +ATOM 2236 CD ARG B 171 63.376 -7.701 32.680 0.50 33.30 C +ATOM 2237 NE ARG B 171 63.683 -6.324 33.033 0.50 36.04 N +ATOM 2238 CZ ARG B 171 62.832 -5.303 32.953 0.50 37.82 C +ATOM 2239 NH1 ARG B 171 61.574 -5.482 32.556 0.50 39.87 N +ATOM 2240 NH2 ARG B 171 63.245 -4.084 33.276 0.50 37.60 N +ATOM 2241 N GLY B 172 62.553 -11.249 27.711 1.00 26.97 N +ATOM 2242 CA GLY B 172 62.534 -12.627 27.205 1.00 28.69 C +ATOM 2243 C GLY B 172 63.613 -13.031 26.237 1.00 28.13 C +ATOM 2244 O GLY B 172 63.817 -14.235 25.978 1.00 29.31 O +ATOM 2245 N GLY B 173 64.349 -12.051 25.701 1.00 28.26 N +ATOM 2246 CA GLY B 173 65.510 -12.335 24.860 1.00 28.50 C +ATOM 2247 C GLY B 173 65.193 -12.610 23.403 1.00 28.77 C +ATOM 2248 O GLY B 173 66.011 -13.207 22.700 1.00 29.66 O +ATOM 2249 N ASN B 174 64.030 -12.192 22.941 1.00 29.46 N +ATOM 2250 CA ASN B 174 63.628 -12.340 21.542 1.00 29.82 C +ATOM 2251 C ASN B 174 62.769 -11.186 21.067 1.00 31.37 C +ATOM 2252 O ASN B 174 62.393 -10.302 21.843 1.00 30.12 O +ATOM 2253 CB ASN B 174 62.916 -13.683 21.269 1.00 29.96 C +ATOM 2254 CG ASN B 174 61.672 -13.899 22.119 1.00 30.51 C +ATOM 2255 OD1 ASN B 174 60.924 -12.984 22.404 1.00 28.14 O +ATOM 2256 ND2 ASN B 174 61.461 -15.152 22.528 1.00 36.26 N +ATOM 2257 N GLN B 175 62.465 -11.191 19.781 1.00 33.13 N +ATOM 2258 CA GLN B 175 61.790 -10.031 19.201 1.00 35.07 C +ATOM 2259 C GLN B 175 60.422 -9.797 19.787 1.00 35.16 C +ATOM 2260 O GLN B 175 60.029 -8.630 20.026 1.00 36.90 O +ATOM 2261 CB GLN B 175 61.732 -10.172 17.685 1.00 36.00 C +ATOM 2262 CG GLN B 175 63.127 -10.075 17.045 0.50 37.00 C +ATOM 2263 CD GLN B 175 63.652 -8.654 17.002 0.50 38.48 C +ATOM 2264 OE1 GLN B 175 64.819 -8.480 16.628 0.50 35.93 O +ATOM 2265 NE2 GLN B 175 62.889 -7.712 17.344 0.50 41.17 N +ATOM 2266 N ALA B 176 59.671 -10.887 19.975 1.00 33.49 N +ATOM 2267 CA ALA B 176 58.311 -10.851 20.519 1.00 33.68 C +ATOM 2268 C ALA B 176 58.261 -10.193 21.884 1.00 32.61 C +ATOM 2269 O ALA B 176 57.308 -9.473 22.214 1.00 32.00 O +ATOM 2270 CB ALA B 176 57.750 -12.240 20.616 1.00 33.39 C +ATOM 2271 N SER B 177 59.321 -10.384 22.655 1.00 30.55 N +ATOM 2272 CA SER B 177 59.379 -9.879 24.011 1.00 29.38 C +ATOM 2273 C SER B 177 59.165 -8.356 24.046 1.00 28.83 C +ATOM 2274 O SER B 177 58.433 -7.870 24.900 1.00 28.09 O +ATOM 2275 CB SER B 177 60.693 -10.286 24.680 1.00 29.02 C +ATOM 2276 OG SER B 177 60.768 -9.760 25.994 1.00 29.65 O +ATOM 2277 N VAL B 178 59.743 -7.628 23.088 1.00 28.06 N +ATOM 2278 CA VAL B 178 59.638 -6.150 23.050 1.00 29.30 C +ATOM 2279 C VAL B 178 58.448 -5.650 22.170 1.00 30.16 C +ATOM 2280 O VAL B 178 58.273 -4.434 21.946 1.00 30.33 O +ATOM 2281 CB VAL B 178 60.976 -5.494 22.614 1.00 30.35 C +ATOM 2282 CG1 VAL B 178 62.060 -5.764 23.653 1.00 31.12 C +ATOM 2283 CG2 VAL B 178 61.386 -6.000 21.234 1.00 32.04 C +ATOM 2284 N GLU B 179 57.658 -6.596 21.688 1.00 30.13 N +ATOM 2285 CA GLU B 179 56.398 -6.297 20.996 1.00 31.73 C +ATOM 2286 C GLU B 179 55.203 -6.612 21.893 1.00 31.37 C +ATOM 2287 O GLU B 179 54.273 -5.803 21.982 1.00 30.31 O +ATOM 2288 CB GLU B 179 56.269 -7.098 19.707 1.00 32.87 C +ATOM 2289 CG GLU B 179 57.309 -6.763 18.658 1.00 35.80 C +ATOM 2290 CD GLU B 179 57.204 -7.648 17.411 1.00 43.56 C +ATOM 2291 OE1 GLU B 179 56.503 -8.695 17.431 1.00 48.79 O +ATOM 2292 OE2 GLU B 179 57.882 -7.299 16.415 1.00 47.73 O +ATOM 2293 N ASN B 180 55.240 -7.777 22.553 1.00 30.09 N +ATOM 2294 CA ASN B 180 54.106 -8.213 23.365 1.00 31.26 C +ATOM 2295 C ASN B 180 54.349 -8.910 24.666 1.00 29.68 C +ATOM 2296 O ASN B 180 53.377 -9.237 25.367 1.00 31.10 O +ATOM 2297 CB ASN B 180 53.225 -9.081 22.531 1.00 32.12 C +ATOM 2298 CG ASN B 180 53.910 -10.299 21.947 1.00 35.60 C +ATOM 2299 OD1 ASN B 180 54.320 -11.196 22.661 1.00 33.31 O +ATOM 2300 ND2 ASN B 180 53.958 -10.364 20.604 1.00 35.50 N +ATOM 2301 N GLY B 181 55.617 -9.221 24.988 1.00 26.69 N +ATOM 2302 CA GLY B 181 55.972 -9.793 26.270 1.00 25.93 C +ATOM 2303 C GLY B 181 55.736 -11.310 26.384 1.00 25.93 C +ATOM 2304 O GLY B 181 55.950 -11.870 27.445 1.00 28.14 O +ATOM 2305 N ASN B 182 55.444 -11.991 25.282 1.00 26.61 N +ATOM 2306 CA ASN B 182 55.376 -13.458 25.304 1.00 27.09 C +ATOM 2307 C ASN B 182 54.421 -13.977 26.403 1.00 26.91 C +ATOM 2308 O ASN B 182 54.709 -14.963 27.098 1.00 26.72 O +ATOM 2309 CB ASN B 182 56.764 -14.042 25.470 1.00 27.60 C +ATOM 2310 CG ASN B 182 57.633 -13.857 24.216 1.00 32.29 C +ATOM 2311 OD1 ASN B 182 57.247 -14.264 23.106 1.00 33.37 O +ATOM 2312 ND2 ASN B 182 58.795 -13.243 24.391 1.00 29.77 N +ATOM 2313 N ALA B 183 53.253 -13.331 26.498 1.00 27.27 N +ATOM 2314 CA ALA B 183 52.301 -13.612 27.601 1.00 27.57 C +ATOM 2315 C ALA B 183 51.348 -14.770 27.298 1.00 27.32 C +ATOM 2316 O ALA B 183 50.456 -15.023 28.062 1.00 26.45 O +ATOM 2317 CB ALA B 183 51.522 -12.350 27.999 1.00 29.02 C +ATOM 2318 N GLY B 184 51.605 -15.523 26.237 1.00 27.54 N +ATOM 2319 CA GLY B 184 50.753 -16.672 25.963 1.00 26.78 C +ATOM 2320 C GLY B 184 49.391 -16.302 25.386 1.00 26.25 C +ATOM 2321 O GLY B 184 49.130 -15.214 24.888 1.00 25.26 O +ATOM 2322 N ARG B 185 48.531 -17.311 25.383 1.00 24.91 N +ATOM 2323 CA ARG B 185 47.286 -17.179 24.643 0.50 25.59 C +ATOM 2324 C ARG B 185 46.329 -16.128 25.224 1.00 25.53 C +ATOM 2325 O ARG B 185 46.332 -15.785 26.423 1.00 26.30 O +ATOM 2326 CB ARG B 185 46.643 -18.549 24.443 0.50 24.97 C +ATOM 2327 CG ARG B 185 47.481 -19.469 23.558 0.50 23.74 C +ATOM 2328 CD ARG B 185 46.826 -20.848 23.326 0.50 21.41 C +ATOM 2329 NE ARG B 185 47.707 -21.763 22.624 0.50 23.37 N +ATOM 2330 CZ ARG B 185 48.595 -22.584 23.189 0.50 20.04 C +ATOM 2331 NH1 ARG B 185 48.678 -22.769 24.525 0.50 19.74 N +ATOM 2332 NH2 ARG B 185 49.347 -23.322 22.395 0.50 25.99 N +ATOM 2333 N ARG B 186 45.494 -15.630 24.351 1.00 25.41 N +ATOM 2334 CA ARG B 186 44.493 -14.602 24.722 1.00 25.08 C +ATOM 2335 C ARG B 186 43.216 -15.364 25.211 1.00 27.50 C +ATOM 2336 O ARG B 186 42.540 -16.019 24.407 1.00 30.05 O +ATOM 2337 CB ARG B 186 44.190 -13.791 23.517 1.00 26.82 C +ATOM 2338 CG ARG B 186 45.398 -13.047 22.976 1.00 26.41 C +ATOM 2339 CD ARG B 186 45.017 -12.261 21.746 1.00 29.54 C +ATOM 2340 NE ARG B 186 46.197 -11.722 21.070 1.00 28.94 N +ATOM 2341 CZ ARG B 186 46.164 -10.766 20.137 1.00 28.76 C +ATOM 2342 NH1 ARG B 186 45.042 -10.214 19.752 1.00 29.70 N +ATOM 2343 NH2 ARG B 186 47.275 -10.338 19.594 1.00 28.74 N +ATOM 2344 N LEU B 187 42.911 -15.271 26.502 1.00 25.83 N +ATOM 2345 CA LEU B 187 41.806 -16.012 27.133 1.00 24.76 C +ATOM 2346 C LEU B 187 40.481 -15.243 27.165 1.00 25.41 C +ATOM 2347 O LEU B 187 39.442 -15.827 27.007 1.00 23.86 O +ATOM 2348 CB LEU B 187 42.155 -16.358 28.551 1.00 24.75 C +ATOM 2349 CG LEU B 187 43.208 -17.412 28.827 1.00 26.66 C +ATOM 2350 CD1 LEU B 187 43.455 -17.599 30.323 1.00 27.31 C +ATOM 2351 CD2 LEU B 187 42.734 -18.695 28.138 1.00 28.52 C +ATOM 2352 N ALA B 188 40.532 -13.919 27.410 1.00 25.84 N +ATOM 2353 CA ALA B 188 39.317 -13.166 27.699 1.00 25.47 C +ATOM 2354 C ALA B 188 39.559 -11.712 27.341 1.00 26.94 C +ATOM 2355 O ALA B 188 40.717 -11.216 27.355 1.00 26.06 O +ATOM 2356 CB ALA B 188 38.922 -13.318 29.171 1.00 26.50 C +ATOM 2357 N CYS B 189 38.490 -11.021 26.985 1.00 26.84 N +ATOM 2358 CA CYS B 189 38.662 -9.662 26.496 1.00 26.25 C +ATOM 2359 C CYS B 189 37.306 -8.952 26.491 1.00 27.97 C +ATOM 2360 O CYS B 189 36.262 -9.533 26.773 1.00 26.58 O +ATOM 2361 CB CYS B 189 39.255 -9.635 25.104 1.00 27.68 C +ATOM 2362 SG CYS B 189 38.297 -10.433 23.839 1.00 32.48 S +ATOM 2363 N CYS B 190 37.385 -7.674 26.199 1.00 26.97 N +ATOM 2364 CA CYS B 190 36.200 -6.814 26.149 1.00 26.89 C +ATOM 2365 C CYS B 190 36.581 -5.522 25.450 1.00 27.02 C +ATOM 2366 O CYS B 190 37.774 -5.203 25.333 1.00 27.61 O +ATOM 2367 CB CYS B 190 35.734 -6.470 27.550 1.00 27.45 C +ATOM 2368 SG CYS B 190 37.037 -5.943 28.670 1.00 29.46 S +ATOM 2369 N VAL B 191 35.565 -4.790 24.985 1.00 25.90 N +ATOM 2370 CA VAL B 191 35.756 -3.476 24.393 1.00 26.36 C +ATOM 2371 C VAL B 191 35.558 -2.412 25.484 1.00 26.97 C +ATOM 2372 O VAL B 191 34.584 -2.446 26.230 1.00 26.96 O +ATOM 2373 CB VAL B 191 34.747 -3.251 23.214 1.00 27.16 C +ATOM 2374 CG1 VAL B 191 34.908 -1.839 22.580 1.00 27.46 C +ATOM 2375 CG2 VAL B 191 34.886 -4.380 22.161 1.00 28.57 C +ATOM 2376 N VAL B 192 36.465 -1.455 25.568 1.00 26.42 N +ATOM 2377 CA VAL B 192 36.391 -0.443 26.636 1.00 26.17 C +ATOM 2378 C VAL B 192 35.258 0.519 26.293 1.00 26.12 C +ATOM 2379 O VAL B 192 35.287 1.175 25.246 1.00 24.70 O +ATOM 2380 CB VAL B 192 37.739 0.322 26.794 1.00 27.28 C +ATOM 2381 CG1 VAL B 192 37.564 1.446 27.807 1.00 25.02 C +ATOM 2382 CG2 VAL B 192 38.891 -0.662 27.143 1.00 25.88 C +ATOM 2383 N GLY B 193 34.304 0.624 27.217 1.00 26.00 N +ATOM 2384 CA GLY B 193 33.124 1.453 27.072 1.00 26.86 C +ATOM 2385 C GLY B 193 33.056 2.664 27.988 1.00 25.23 C +ATOM 2386 O GLY B 193 33.514 2.612 29.110 1.00 26.44 O +ATOM 2387 N VAL B 194 32.485 3.731 27.487 1.00 26.00 N +ATOM 2388 CA VAL B 194 32.219 4.931 28.278 1.00 25.78 C +ATOM 2389 C VAL B 194 31.128 4.569 29.297 1.00 24.72 C +ATOM 2390 O VAL B 194 30.125 3.907 28.958 1.00 26.63 O +ATOM 2391 CB VAL B 194 31.678 6.068 27.384 1.00 26.66 C +ATOM 2392 CG1 VAL B 194 31.292 7.218 28.249 1.00 28.89 C +ATOM 2393 CG2 VAL B 194 32.732 6.503 26.360 1.00 28.54 C +ATOM 2394 N CYS B 195 31.316 4.913 30.555 1.00 25.31 N +ATOM 2395 CA CYS B 195 30.277 4.599 31.545 1.00 26.44 C +ATOM 2396 C CYS B 195 30.108 5.718 32.519 1.00 26.48 C +ATOM 2397 O CYS B 195 30.806 6.739 32.453 1.00 27.39 O +ATOM 2398 CB CYS B 195 30.558 3.274 32.256 1.00 27.24 C +ATOM 2399 SG CYS B 195 31.973 3.345 33.344 1.00 29.39 S +ATOM 2400 N GLY B 196 29.104 5.600 33.396 1.00 27.60 N +ATOM 2401 CA GLY B 196 28.853 6.628 34.394 1.00 29.45 C +ATOM 2402 C GLY B 196 29.708 6.364 35.640 1.00 30.84 C +ATOM 2403 O GLY B 196 30.470 5.408 35.647 1.00 29.94 O +ATOM 2404 N PRO B 197 29.596 7.220 36.677 1.00 32.37 N +ATOM 2405 CA PRO B 197 30.381 7.106 37.939 1.00 33.09 C +ATOM 2406 C PRO B 197 29.994 5.915 38.814 1.00 34.46 C +ATOM 2407 O PRO B 197 30.755 5.513 39.694 1.00 34.62 O +ATOM 2408 CB PRO B 197 30.066 8.408 38.670 1.00 33.78 C +ATOM 2409 CG PRO B 197 29.379 9.270 37.702 1.00 34.12 C +ATOM 2410 CD PRO B 197 28.724 8.415 36.706 1.00 31.60 C +ATOM 2411 N GLY B 198 28.823 5.333 38.571 1.00 35.63 N +ATOM 2412 CA GLY B 198 28.251 4.345 39.499 1.00 36.06 C +ATOM 2413 C GLY B 198 29.067 3.100 39.762 1.00 36.26 C +ATOM 2414 O GLY B 198 29.212 2.705 40.920 1.00 36.89 O +ATOM 2415 N LEU B 199 29.602 2.476 38.707 1.00 36.64 N +ATOM 2416 CA LEU B 199 30.384 1.237 38.848 1.00 37.16 C +ATOM 2417 C LEU B 199 31.616 1.419 39.735 1.00 37.98 C +ATOM 2418 O LEU B 199 31.941 0.536 40.585 1.00 37.26 O +ATOM 2419 CB LEU B 199 30.849 0.737 37.487 1.00 37.28 C +ATOM 2420 CG LEU B 199 29.749 0.144 36.622 1.00 37.64 C +ATOM 2421 CD1 LEU B 199 30.357 -0.443 35.344 1.00 36.82 C +ATOM 2422 CD2 LEU B 199 29.023 -0.948 37.443 1.00 37.32 C +ATOM 2423 N TRP B 200 32.289 2.558 39.535 1.00 37.71 N +ATOM 2424 CA TRP B 200 33.527 2.844 40.240 1.00 38.22 C +ATOM 2425 C TRP B 200 33.243 3.067 41.705 1.00 40.37 C +ATOM 2426 O TRP B 200 34.021 2.667 42.565 1.00 40.76 O +ATOM 2427 CB TRP B 200 34.185 4.105 39.678 1.00 37.45 C +ATOM 2428 CG TRP B 200 35.521 4.401 40.281 1.00 34.54 C +ATOM 2429 CD1 TRP B 200 35.780 5.225 41.337 1.00 33.21 C +ATOM 2430 CD2 TRP B 200 36.802 3.910 39.825 1.00 29.79 C +ATOM 2431 NE1 TRP B 200 37.135 5.241 41.609 1.00 32.97 N +ATOM 2432 CE2 TRP B 200 37.785 4.448 40.693 1.00 28.66 C +ATOM 2433 CE3 TRP B 200 37.207 3.044 38.800 1.00 32.91 C +ATOM 2434 CZ2 TRP B 200 39.155 4.158 40.546 1.00 29.94 C +ATOM 2435 CZ3 TRP B 200 38.592 2.753 38.649 1.00 31.35 C +ATOM 2436 CH2 TRP B 200 39.527 3.307 39.515 1.00 28.49 C +ATOM 2437 N GLU B 201 32.137 3.737 41.989 1.00 42.46 N +ATOM 2438 CA GLU B 201 31.742 3.994 43.374 1.00 44.53 C +ATOM 2439 C GLU B 201 31.388 2.682 44.101 1.00 45.99 C +ATOM 2440 O GLU B 201 31.763 2.505 45.261 1.00 46.94 O +ATOM 2441 CB GLU B 201 30.613 5.037 43.425 1.00 45.06 C +ATOM 2442 CG GLU B 201 31.008 6.449 42.856 1.00 46.47 C +ATOM 2443 CD GLU B 201 32.231 7.092 43.548 1.00 49.35 C +ATOM 2444 OE1 GLU B 201 32.427 6.884 44.782 1.00 48.97 O +ATOM 2445 OE2 GLU B 201 32.992 7.814 42.857 1.00 49.99 O +ATOM 2446 N ARG B 202 30.759 1.738 43.405 0.70 47.50 N +ATOM 2447 CA ARG B 202 30.269 0.510 44.034 0.70 49.02 C +ATOM 2448 C ARG B 202 31.286 -0.646 44.047 0.70 49.66 C +ATOM 2449 O ARG B 202 31.356 -1.395 45.030 0.70 50.09 O +ATOM 2450 CB ARG B 202 28.952 0.077 43.372 0.70 49.36 C +ATOM 2451 CG ARG B 202 27.766 0.986 43.719 0.70 51.36 C +ATOM 2452 CD ARG B 202 26.517 0.702 42.857 0.70 54.18 C +ATOM 2453 NE ARG B 202 25.774 -0.509 43.250 0.70 56.51 N +ATOM 2454 CZ ARG B 202 24.491 -0.772 42.960 0.70 57.45 C +ATOM 2455 NH1 ARG B 202 23.739 0.090 42.267 0.70 58.96 N +ATOM 2456 NH2 ARG B 202 23.946 -1.913 43.377 0.70 57.27 N +ATOM 2457 N GLN B 203 32.183 -0.676 43.196 1.00 30.14 N +ATOM 2458 CA GLN B 203 33.089 -1.831 42.929 1.00 35.53 C +ATOM 2459 C GLN B 203 34.522 -1.571 43.500 1.00 54.74 C +ATOM 2460 O GLN B 203 35.241 -2.501 43.888 0.50 28.34 O +ATOM 2461 CB GLN B 203 33.122 -2.190 41.454 1.00 51.59 C +ATOM 2462 CG GLN B 203 31.762 -2.550 40.731 1.00 32.71 C +ATOM 2463 CD GLN B 203 32.050 -2.951 39.310 1.00 42.26 C +ATOM 2464 OE1 GLN B 203 33.171 -2.667 38.804 1.00 54.67 O +ATOM 2465 NE2 GLN B 203 31.090 -3.614 38.626 1.00 39.18 N +ATOM 2466 N ALA B 204 34.910 -0.295 43.576 1.00 60.56 N +ATOM 2467 CA ALA B 204 35.929 0.193 44.571 1.00 32.31 C +ATOM 2468 C ALA B 204 37.353 -0.328 44.291 1.00 39.49 C +ATOM 2469 O ALA B 204 38.019 -0.853 45.203 1.00 46.52 O +ATOM 2470 CB ALA B 204 35.494 -0.131 46.010 1.00 96.46 C +TER 2471 ALA B 204 +ATOM 2472 N ASP C 38 31.171 -60.587 31.414 0.50 37.50 N +ATOM 2473 CA ASP C 38 30.458 -61.084 30.201 0.50 37.40 C +ATOM 2474 C ASP C 38 30.636 -60.083 29.066 0.50 37.44 C +ATOM 2475 O ASP C 38 31.571 -59.271 29.066 0.50 37.25 O +ATOM 2476 CB ASP C 38 28.952 -61.247 30.473 0.50 37.39 C +ATOM 2477 CG ASP C 38 28.655 -61.949 31.767 0.50 37.00 C +ATOM 2478 OD1 ASP C 38 29.194 -63.056 31.993 0.50 37.88 O +ATOM 2479 OD2 ASP C 38 27.842 -61.409 32.543 0.50 36.02 O +ATOM 2480 N GLY C 39 29.711 -60.132 28.108 1.00 37.40 N +ATOM 2481 CA GLY C 39 29.622 -59.137 27.059 1.00 36.77 C +ATOM 2482 C GLY C 39 28.944 -57.860 27.529 1.00 36.01 C +ATOM 2483 O GLY C 39 28.144 -57.283 26.789 1.00 37.27 O +ATOM 2484 N THR C 40 29.251 -57.417 28.753 1.00 34.53 N +ATOM 2485 CA THR C 40 28.707 -56.162 29.286 1.00 33.56 C +ATOM 2486 C THR C 40 29.224 -55.056 28.420 1.00 32.46 C +ATOM 2487 O THR C 40 30.345 -55.141 27.925 1.00 33.68 O +ATOM 2488 CB THR C 40 29.147 -55.898 30.743 1.00 32.84 C +ATOM 2489 OG1 THR C 40 28.735 -57.007 31.567 1.00 33.74 O +ATOM 2490 CG2 THR C 40 28.563 -54.543 31.281 1.00 34.33 C +ATOM 2491 N LEU C 41 28.419 -54.017 28.232 1.00 30.77 N +ATOM 2492 CA LEU C 41 28.786 -52.918 27.358 1.00 29.67 C +ATOM 2493 C LEU C 41 28.797 -51.661 28.215 1.00 28.23 C +ATOM 2494 O LEU C 41 27.944 -51.506 29.070 1.00 26.82 O +ATOM 2495 CB LEU C 41 27.755 -52.761 26.232 1.00 30.15 C +ATOM 2496 CG LEU C 41 27.468 -54.045 25.440 1.00 33.98 C +ATOM 2497 CD1 LEU C 41 26.107 -54.011 24.741 1.00 34.93 C +ATOM 2498 CD2 LEU C 41 28.617 -54.266 24.469 1.00 36.70 C +ATOM 2499 N HIS C 42 29.782 -50.804 27.987 1.00 26.86 N +ATOM 2500 CA HIS C 42 29.866 -49.526 28.653 1.00 25.93 C +ATOM 2501 C HIS C 42 30.026 -48.401 27.633 1.00 25.01 C +ATOM 2502 O HIS C 42 30.626 -48.559 26.556 1.00 25.00 O +ATOM 2503 CB HIS C 42 31.071 -49.490 29.628 1.00 25.63 C +ATOM 2504 CG HIS C 42 30.999 -50.500 30.724 1.00 27.76 C +ATOM 2505 ND1 HIS C 42 31.513 -51.770 30.586 1.00 27.41 N +ATOM 2506 CD2 HIS C 42 30.492 -50.432 31.977 1.00 29.19 C +ATOM 2507 CE1 HIS C 42 31.309 -52.450 31.702 1.00 31.19 C +ATOM 2508 NE2 HIS C 42 30.707 -51.654 32.567 1.00 29.38 N +ATOM 2509 N ALA C 43 29.437 -47.263 27.941 1.00 24.55 N +ATOM 2510 CA ALA C 43 29.651 -46.079 27.107 1.00 23.84 C +ATOM 2511 C ALA C 43 29.718 -44.842 27.976 1.00 23.64 C +ATOM 2512 O ALA C 43 29.291 -44.830 29.149 1.00 25.02 O +ATOM 2513 CB ALA C 43 28.611 -45.939 26.015 1.00 24.32 C +ATOM 2514 N ALA C 44 30.275 -43.779 27.399 1.00 24.98 N +ATOM 2515 CA ALA C 44 30.463 -42.543 28.179 1.00 25.25 C +ATOM 2516 C ALA C 44 30.192 -41.376 27.267 1.00 26.07 C +ATOM 2517 O ALA C 44 30.393 -41.472 26.071 1.00 26.42 O +ATOM 2518 CB ALA C 44 31.865 -42.478 28.715 1.00 26.97 C +ATOM 2519 N CYS C 45 29.853 -40.241 27.872 1.00 26.20 N +ATOM 2520 CA CYS C 45 29.490 -39.052 27.118 1.00 27.02 C +ATOM 2521 C CYS C 45 29.957 -37.847 27.950 1.00 27.15 C +ATOM 2522 O CYS C 45 29.496 -37.676 29.032 1.00 27.90 O +ATOM 2523 CB CYS C 45 27.962 -39.053 26.832 1.00 28.02 C +ATOM 2524 SG CYS C 45 27.412 -38.047 25.392 1.00 31.42 S +ATOM 2525 N GLN C 46 30.953 -37.091 27.454 1.00 27.25 N +ATOM 2526 CA GLN C 46 31.558 -35.991 28.181 1.00 27.56 C +ATOM 2527 C GLN C 46 30.797 -34.733 27.844 1.00 27.04 C +ATOM 2528 O GLN C 46 31.114 -34.017 26.880 1.00 27.63 O +ATOM 2529 CB GLN C 46 33.069 -35.819 27.842 1.00 28.68 C +ATOM 2530 CG GLN C 46 33.968 -36.798 28.498 1.00 34.24 C +ATOM 2531 CD GLN C 46 33.876 -36.851 30.012 1.00 32.47 C +ATOM 2532 OE1 GLN C 46 33.943 -35.795 30.715 1.00 36.64 O +ATOM 2533 NE2 GLN C 46 33.767 -38.093 30.549 1.00 37.38 N +ATOM 2534 N VAL C 47 29.764 -34.468 28.632 1.00 26.72 N +ATOM 2535 CA VAL C 47 28.876 -33.315 28.413 1.00 26.02 C +ATOM 2536 C VAL C 47 29.659 -32.023 28.517 1.00 26.25 C +ATOM 2537 O VAL C 47 30.284 -31.752 29.550 1.00 25.52 O +ATOM 2538 CB VAL C 47 27.741 -33.336 29.371 1.00 26.19 C +ATOM 2539 CG1 VAL C 47 26.917 -32.048 29.280 1.00 24.63 C +ATOM 2540 CG2 VAL C 47 26.847 -34.567 29.114 1.00 26.21 C +ATOM 2541 N GLN C 48 29.575 -31.222 27.471 1.00 26.18 N +ATOM 2542 CA GLN C 48 30.247 -29.928 27.436 0.50 25.56 C +ATOM 2543 C GLN C 48 29.308 -28.856 26.856 1.00 25.29 C +ATOM 2544 O GLN C 48 28.438 -29.186 26.036 1.00 25.88 O +ATOM 2545 CB GLN C 48 31.476 -30.055 26.544 0.50 27.43 C +ATOM 2546 CG GLN C 48 32.581 -30.880 27.215 0.50 26.87 C +ATOM 2547 CD GLN C 48 33.205 -30.127 28.391 0.50 28.21 C +ATOM 2548 OE1 GLN C 48 33.593 -28.975 28.245 0.50 32.66 O +ATOM 2549 NE2 GLN C 48 33.259 -30.755 29.569 0.50 32.36 N +ATOM 2550 N PRO C 49 29.483 -27.608 27.251 1.00 25.95 N +ATOM 2551 CA PRO C 49 28.642 -26.567 26.635 1.00 26.57 C +ATOM 2552 C PRO C 49 28.695 -26.560 25.114 1.00 26.07 C +ATOM 2553 O PRO C 49 29.729 -26.808 24.484 1.00 27.16 O +ATOM 2554 CB PRO C 49 29.188 -25.264 27.202 1.00 26.19 C +ATOM 2555 CG PRO C 49 29.897 -25.718 28.473 1.00 28.26 C +ATOM 2556 CD PRO C 49 30.408 -27.080 28.270 1.00 26.49 C +ATOM 2557 N SER C 50 27.561 -26.233 24.519 1.00 27.04 N +ATOM 2558 CA SER C 50 27.448 -26.133 23.100 1.00 26.75 C +ATOM 2559 C SER C 50 28.480 -25.177 22.588 1.00 26.74 C +ATOM 2560 O SER C 50 28.570 -24.016 23.127 1.00 25.98 O +ATOM 2561 CB SER C 50 26.082 -25.645 22.722 1.00 26.02 C +ATOM 2562 OG SER C 50 25.994 -25.557 21.305 1.00 28.14 O +ATOM 2563 N ALA C 51 29.177 -25.573 21.515 1.00 27.18 N +ATOM 2564 CA ALA C 51 30.025 -24.625 20.808 1.00 28.85 C +ATOM 2565 C ALA C 51 29.332 -23.292 20.405 1.00 28.93 C +ATOM 2566 O ALA C 51 30.021 -22.240 20.249 1.00 30.90 O +ATOM 2567 CB ALA C 51 30.586 -25.308 19.534 1.00 29.39 C +ATOM 2568 N THR C 52 28.018 -23.298 20.247 0.50 28.48 N +ATOM 2569 CA THR C 52 27.365 -22.124 19.698 0.50 27.36 C +ATOM 2570 C THR C 52 26.531 -21.323 20.753 0.50 26.72 C +ATOM 2571 O THR C 52 25.643 -20.537 20.374 0.50 27.02 O +ATOM 2572 CB THR C 52 26.557 -22.571 18.435 0.50 27.66 C +ATOM 2573 OG1 THR C 52 25.691 -23.656 18.794 0.50 25.60 O +ATOM 2574 CG2 THR C 52 27.515 -23.059 17.332 0.50 26.60 C +ATOM 2575 N LEU C 53 26.818 -21.524 22.064 1.00 26.24 N +ATOM 2576 CA LEU C 53 26.250 -20.667 23.127 1.00 24.52 C +ATOM 2577 C LEU C 53 26.724 -19.251 23.038 1.00 25.15 C +ATOM 2578 O LEU C 53 27.873 -18.969 22.616 1.00 24.88 O +ATOM 2579 CB LEU C 53 26.539 -21.103 24.546 1.00 24.78 C +ATOM 2580 CG LEU C 53 26.152 -22.496 24.987 1.00 26.72 C +ATOM 2581 CD1 LEU C 53 26.523 -22.609 26.485 1.00 27.04 C +ATOM 2582 CD2 LEU C 53 24.647 -22.712 24.795 1.00 25.66 C +ATOM 2583 N ASP C 54 25.890 -18.321 23.472 1.00 24.40 N +ATOM 2584 CA ASP C 54 26.370 -16.946 23.726 1.00 23.58 C +ATOM 2585 C ASP C 54 26.892 -16.824 25.178 1.00 24.95 C +ATOM 2586 O ASP C 54 26.672 -17.734 25.949 1.00 25.10 O +ATOM 2587 CB ASP C 54 25.269 -15.911 23.429 1.00 25.52 C +ATOM 2588 CG ASP C 54 24.038 -16.089 24.311 1.00 22.73 C +ATOM 2589 OD1 ASP C 54 24.134 -15.601 25.459 1.00 23.96 O +ATOM 2590 OD2 ASP C 54 22.974 -16.519 23.807 1.00 25.34 O +ATOM 2591 N ALA C 55 27.591 -15.704 25.527 1.00 25.97 N +ATOM 2592 CA ALA C 55 28.278 -15.575 26.858 1.00 27.51 C +ATOM 2593 C ALA C 55 27.366 -15.531 28.072 1.00 29.06 C +ATOM 2594 O ALA C 55 27.804 -15.818 29.219 1.00 29.69 O +ATOM 2595 CB ALA C 55 29.258 -14.358 26.885 1.00 28.58 C +ATOM 2596 N ALA C 56 26.066 -15.222 27.830 1.00 26.89 N +ATOM 2597 CA ALA C 56 25.129 -15.115 28.892 1.00 26.60 C +ATOM 2598 C ALA C 56 24.467 -16.443 29.229 1.00 25.77 C +ATOM 2599 O ALA C 56 23.726 -16.505 30.223 1.00 28.01 O +ATOM 2600 CB ALA C 56 24.084 -14.005 28.523 1.00 25.33 C +ATOM 2601 N GLN C 57 24.629 -17.478 28.396 1.00 24.31 N +ATOM 2602 CA GLN C 57 24.060 -18.773 28.687 1.00 24.08 C +ATOM 2603 C GLN C 57 24.906 -19.577 29.702 1.00 26.12 C +ATOM 2604 O GLN C 57 26.133 -19.424 29.704 1.00 26.70 O +ATOM 2605 CB GLN C 57 23.852 -19.552 27.392 1.00 22.22 C +ATOM 2606 CG GLN C 57 22.858 -18.906 26.444 1.00 24.19 C +ATOM 2607 CD GLN C 57 22.608 -19.764 25.232 1.00 26.47 C +ATOM 2608 OE1 GLN C 57 23.328 -19.661 24.281 1.00 24.35 O +ATOM 2609 NE2 GLN C 57 21.557 -20.601 25.254 1.00 24.46 N +ATOM 2610 N PRO C 58 24.255 -20.391 30.563 1.00 27.48 N +ATOM 2611 CA PRO C 58 25.010 -21.204 31.527 1.00 27.53 C +ATOM 2612 C PRO C 58 25.850 -22.214 30.823 1.00 28.68 C +ATOM 2613 O PRO C 58 25.481 -22.660 29.736 1.00 28.62 O +ATOM 2614 CB PRO C 58 23.936 -21.913 32.349 1.00 29.34 C +ATOM 2615 CG PRO C 58 22.752 -21.854 31.596 1.00 28.81 C +ATOM 2616 CD PRO C 58 22.815 -20.642 30.671 1.00 27.83 C +ATOM 2617 N ARG C 59 26.973 -22.557 31.448 1.00 28.49 N +ATOM 2618 CA ARG C 59 27.884 -23.533 30.903 1.00 29.27 C +ATOM 2619 C ARG C 59 27.871 -24.822 31.747 1.00 26.58 C +ATOM 2620 O ARG C 59 28.390 -24.840 32.877 1.00 26.30 O +ATOM 2621 CB ARG C 59 29.226 -22.924 30.835 1.00 30.96 C +ATOM 2622 CG ARG C 59 29.141 -21.690 29.973 1.00 32.96 C +ATOM 2623 CD ARG C 59 30.377 -21.228 29.694 1.00 36.28 C +ATOM 2624 NE ARG C 59 31.025 -22.034 28.714 1.00 35.60 N +ATOM 2625 CZ ARG C 59 30.845 -21.944 27.395 1.00 34.25 C +ATOM 2626 NH1 ARG C 59 29.977 -21.049 26.863 1.00 31.47 N +ATOM 2627 NH2 ARG C 59 31.612 -22.705 26.628 1.00 31.78 N +ATOM 2628 N VAL C 60 27.218 -25.824 31.204 1.00 25.86 N +ATOM 2629 CA VAL C 60 26.928 -27.060 31.867 1.00 25.84 C +ATOM 2630 C VAL C 60 27.951 -28.128 31.382 1.00 25.49 C +ATOM 2631 O VAL C 60 28.120 -28.336 30.184 1.00 27.48 O +ATOM 2632 CB VAL C 60 25.440 -27.510 31.548 1.00 26.87 C +ATOM 2633 CG1 VAL C 60 25.186 -28.914 32.097 1.00 27.27 C +ATOM 2634 CG2 VAL C 60 24.475 -26.476 32.119 1.00 28.13 C +ATOM 2635 N THR C 61 28.565 -28.795 32.355 1.00 26.82 N +ATOM 2636 CA THR C 61 29.632 -29.788 32.057 1.00 26.99 C +ATOM 2637 C THR C 61 29.361 -30.986 32.921 1.00 27.17 C +ATOM 2638 O THR C 61 28.878 -30.850 34.062 1.00 27.30 O +ATOM 2639 CB THR C 61 31.047 -29.215 32.357 1.00 28.93 C +ATOM 2640 OG1 THR C 61 31.114 -28.820 33.742 1.00 30.86 O +ATOM 2641 CG2 THR C 61 31.343 -27.989 31.509 1.00 28.87 C +ATOM 2642 N GLY C 62 29.853 -32.132 32.476 1.00 25.22 N +ATOM 2643 CA GLY C 62 29.859 -33.315 33.335 1.00 25.50 C +ATOM 2644 C GLY C 62 29.929 -34.557 32.483 1.00 26.07 C +ATOM 2645 O GLY C 62 30.507 -34.555 31.405 1.00 26.43 O +ATOM 2646 N VAL C 63 29.340 -35.611 32.992 1.00 26.80 N +ATOM 2647 CA VAL C 63 29.469 -36.920 32.380 1.00 27.74 C +ATOM 2648 C VAL C 63 28.103 -37.610 32.455 1.00 28.12 C +ATOM 2649 O VAL C 63 27.333 -37.436 33.404 1.00 29.44 O +ATOM 2650 CB VAL C 63 30.526 -37.796 33.060 1.00 28.67 C +ATOM 2651 CG1 VAL C 63 30.031 -38.263 34.395 1.00 27.84 C +ATOM 2652 CG2 VAL C 63 30.922 -38.985 32.146 1.00 32.29 C +ATOM 2653 N VAL C 64 27.789 -38.308 31.367 1.00 27.10 N +ATOM 2654 CA VAL C 64 26.704 -39.338 31.371 1.00 26.98 C +ATOM 2655 C VAL C 64 27.375 -40.697 31.058 1.00 27.36 C +ATOM 2656 O VAL C 64 28.115 -40.784 30.061 1.00 28.15 O +ATOM 2657 CB VAL C 64 25.608 -38.997 30.348 1.00 28.39 C +ATOM 2658 CG1 VAL C 64 24.532 -40.052 30.423 1.00 27.95 C +ATOM 2659 CG2 VAL C 64 24.979 -37.624 30.620 1.00 27.55 C +ATOM 2660 N LEU C 65 27.180 -41.705 31.920 1.00 26.18 N +ATOM 2661 CA LEU C 65 27.775 -43.018 31.750 1.00 28.03 C +ATOM 2662 C LEU C 65 26.647 -44.011 31.516 1.00 26.71 C +ATOM 2663 O LEU C 65 25.526 -43.842 32.056 1.00 25.51 O +ATOM 2664 CB LEU C 65 28.592 -43.414 32.944 1.00 28.33 C +ATOM 2665 CG LEU C 65 29.708 -42.444 33.379 1.00 29.58 C +ATOM 2666 CD1 LEU C 65 30.388 -42.941 34.629 1.00 33.62 C +ATOM 2667 CD2 LEU C 65 30.728 -42.282 32.193 1.00 31.69 C +ATOM 2668 N PHE C 66 26.931 -45.006 30.681 1.00 27.23 N +ATOM 2669 CA PHE C 66 25.953 -46.013 30.373 1.00 26.97 C +ATOM 2670 C PHE C 66 26.559 -47.400 30.616 1.00 26.64 C +ATOM 2671 O PHE C 66 27.770 -47.617 30.432 1.00 27.30 O +ATOM 2672 CB PHE C 66 25.537 -45.902 28.905 1.00 27.44 C +ATOM 2673 CG PHE C 66 24.863 -44.601 28.525 1.00 27.41 C +ATOM 2674 CD1 PHE C 66 23.543 -44.371 28.865 1.00 28.69 C +ATOM 2675 CD2 PHE C 66 25.528 -43.653 27.786 1.00 31.46 C +ATOM 2676 CE1 PHE C 66 22.886 -43.193 28.521 1.00 29.12 C +ATOM 2677 CE2 PHE C 66 24.877 -42.433 27.445 1.00 27.83 C +ATOM 2678 CZ PHE C 66 23.549 -42.246 27.758 1.00 27.35 C +ATOM 2679 N ARG C 67 25.727 -48.335 31.068 1.00 26.64 N +ATOM 2680 CA ARG C 67 26.162 -49.746 31.254 1.00 27.26 C +ATOM 2681 C ARG C 67 24.990 -50.613 30.866 1.00 27.60 C +ATOM 2682 O ARG C 67 23.864 -50.378 31.291 1.00 27.66 O +ATOM 2683 CB ARG C 67 26.553 -50.018 32.706 1.00 27.63 C +ATOM 2684 CG ARG C 67 26.840 -51.461 33.070 1.00 32.21 C +ATOM 2685 CD ARG C 67 27.490 -51.500 34.465 1.00 35.69 C +ATOM 2686 NE ARG C 67 27.834 -52.833 34.965 0.50 35.64 N +ATOM 2687 CZ ARG C 67 27.024 -53.614 35.669 0.50 35.96 C +ATOM 2688 NH1 ARG C 67 25.792 -53.221 35.968 0.50 36.49 N +ATOM 2689 NH2 ARG C 67 27.448 -54.803 36.076 0.50 37.22 N +ATOM 2690 N GLN C 68 25.272 -51.645 30.074 1.00 29.19 N +ATOM 2691 CA GLN C 68 24.266 -52.620 29.678 1.00 29.29 C +ATOM 2692 C GLN C 68 24.870 -54.017 29.810 1.00 30.62 C +ATOM 2693 O GLN C 68 25.942 -54.289 29.251 1.00 30.47 O +ATOM 2694 CB GLN C 68 23.853 -52.337 28.251 1.00 29.29 C +ATOM 2695 CG GLN C 68 22.616 -53.048 27.719 1.00 29.45 C +ATOM 2696 CD GLN C 68 22.288 -52.657 26.292 1.00 29.95 C +ATOM 2697 OE1 GLN C 68 22.962 -51.801 25.708 1.00 36.21 O +ATOM 2698 NE2 GLN C 68 21.276 -53.271 25.715 1.00 30.49 N +ATOM 2699 N LEU C 69 24.188 -54.871 30.567 1.00 31.86 N +ATOM 2700 CA LEU C 69 24.740 -56.196 30.915 1.00 33.48 C +ATOM 2701 C LEU C 69 24.918 -57.118 29.713 1.00 34.47 C +ATOM 2702 O LEU C 69 25.895 -57.875 29.644 1.00 35.18 O +ATOM 2703 CB LEU C 69 23.913 -56.847 32.019 1.00 33.80 C +ATOM 2704 CG LEU C 69 24.167 -56.127 33.350 1.00 35.38 C +ATOM 2705 CD1 LEU C 69 23.287 -56.710 34.449 1.00 35.58 C +ATOM 2706 CD2 LEU C 69 25.677 -56.183 33.733 1.00 36.21 C +ATOM 2707 N ALA C 70 23.993 -57.029 28.765 1.00 35.70 N +ATOM 2708 CA ALA C 70 24.072 -57.765 27.497 1.00 36.70 C +ATOM 2709 C ALA C 70 23.148 -57.056 26.521 1.00 37.80 C +ATOM 2710 O ALA C 70 22.303 -56.268 26.952 1.00 37.09 O +ATOM 2711 CB ALA C 70 23.633 -59.222 27.690 1.00 36.04 C +ATOM 2712 N PRO C 71 23.302 -57.305 25.203 1.00 39.54 N +ATOM 2713 CA PRO C 71 22.420 -56.651 24.211 1.00 40.46 C +ATOM 2714 C PRO C 71 20.928 -56.735 24.549 1.00 40.47 C +ATOM 2715 O PRO C 71 20.188 -55.782 24.371 1.00 42.00 O +ATOM 2716 CB PRO C 71 22.739 -57.423 22.920 1.00 40.87 C +ATOM 2717 CG PRO C 71 24.191 -57.718 23.069 1.00 40.94 C +ATOM 2718 CD PRO C 71 24.321 -58.136 24.534 1.00 40.41 C +ATOM 2719 N ARG C 72 20.504 -57.863 25.075 1.00 40.19 N +ATOM 2720 CA ARG C 72 19.106 -58.040 25.422 1.00 40.03 C +ATOM 2721 C ARG C 72 18.677 -57.174 26.621 1.00 39.61 C +ATOM 2722 O ARG C 72 17.490 -56.884 26.771 1.00 41.33 O +ATOM 2723 CB ARG C 72 18.836 -59.528 25.694 1.00 39.58 C +ATOM 2724 CG ARG C 72 19.030 -60.446 24.482 0.10 39.79 C +ATOM 2725 CD ARG C 72 17.976 -60.199 23.409 0.10 39.58 C +ATOM 2726 NE ARG C 72 17.954 -61.244 22.384 0.10 39.56 N +ATOM 2727 CZ ARG C 72 18.808 -61.339 21.365 0.10 39.26 C +ATOM 2728 NH1 ARG C 72 19.795 -60.460 21.209 0.10 38.88 N +ATOM 2729 NH2 ARG C 72 18.679 -62.333 20.494 0.10 39.17 N +ATOM 2730 N ALA C 73 19.628 -56.731 27.450 1.00 38.16 N +ATOM 2731 CA ALA C 73 19.293 -56.185 28.770 1.00 36.26 C +ATOM 2732 C ALA C 73 18.929 -54.725 28.674 1.00 35.12 C +ATOM 2733 O ALA C 73 19.279 -54.042 27.702 1.00 33.07 O +ATOM 2734 CB ALA C 73 20.435 -56.397 29.756 1.00 36.71 C +ATOM 2735 N LYS C 74 18.210 -54.243 29.685 1.00 33.83 N +ATOM 2736 CA LYS C 74 17.880 -52.836 29.738 1.00 34.58 C +ATOM 2737 C LYS C 74 19.167 -52.054 30.033 1.00 33.58 C +ATOM 2738 O LYS C 74 20.171 -52.625 30.454 1.00 34.06 O +ATOM 2739 CB LYS C 74 16.791 -52.546 30.776 1.00 35.08 C +ATOM 2740 CG LYS C 74 15.411 -53.114 30.441 1.00 36.91 C +ATOM 2741 CD LYS C 74 14.949 -52.702 29.029 0.50 36.81 C +ATOM 2742 CE LYS C 74 13.448 -52.948 28.832 0.50 36.51 C +ATOM 2743 NZ LYS C 74 12.651 -51.743 29.208 0.50 37.77 N +ATOM 2744 N LEU C 75 19.112 -50.757 29.803 1.00 32.79 N +ATOM 2745 CA LEU C 75 20.270 -49.868 29.929 1.00 31.51 C +ATOM 2746 C LEU C 75 20.202 -49.132 31.262 1.00 30.98 C +ATOM 2747 O LEU C 75 19.147 -48.640 31.648 1.00 31.41 O +ATOM 2748 CB LEU C 75 20.238 -48.895 28.767 1.00 32.36 C +ATOM 2749 CG LEU C 75 21.352 -47.882 28.689 1.00 32.33 C +ATOM 2750 CD1 LEU C 75 22.674 -48.571 28.503 1.00 31.91 C +ATOM 2751 CD2 LEU C 75 21.109 -46.896 27.568 1.00 37.63 C +ATOM 2752 N ASP C 76 21.321 -49.069 31.980 1.00 29.58 N +ATOM 2753 CA ASP C 76 21.429 -48.207 33.140 1.00 28.98 C +ATOM 2754 C ASP C 76 22.283 -47.016 32.798 1.00 28.67 C +ATOM 2755 O ASP C 76 23.178 -47.121 31.966 1.00 27.82 O +ATOM 2756 CB ASP C 76 22.070 -48.944 34.284 1.00 28.68 C +ATOM 2757 CG ASP C 76 21.284 -50.186 34.691 1.00 31.53 C +ATOM 2758 OD1 ASP C 76 20.031 -50.185 34.626 1.00 33.33 O +ATOM 2759 OD2 ASP C 76 21.935 -51.173 35.066 1.00 33.21 O +ATOM 2760 N ALA C 77 22.007 -45.896 33.451 1.00 27.74 N +ATOM 2761 CA ALA C 77 22.723 -44.656 33.123 1.00 27.51 C +ATOM 2762 C ALA C 77 22.985 -43.839 34.399 1.00 28.72 C +ATOM 2763 O ALA C 77 22.270 -43.956 35.394 1.00 27.93 O +ATOM 2764 CB ALA C 77 21.958 -43.862 32.121 1.00 27.86 C +ATOM 2765 N PHE C 78 24.054 -43.049 34.383 1.00 28.00 N +ATOM 2766 CA PHE C 78 24.406 -42.226 35.540 1.00 28.07 C +ATOM 2767 C PHE C 78 24.710 -40.833 34.962 1.00 27.90 C +ATOM 2768 O PHE C 78 25.427 -40.764 34.000 1.00 28.23 O +ATOM 2769 CB PHE C 78 25.634 -42.779 36.259 1.00 28.73 C +ATOM 2770 CG PHE C 78 26.206 -41.822 37.274 1.00 33.03 C +ATOM 2771 CD1 PHE C 78 25.502 -41.544 38.431 1.00 34.44 C +ATOM 2772 CD2 PHE C 78 27.418 -41.159 37.039 1.00 33.85 C +ATOM 2773 CE1 PHE C 78 26.004 -40.644 39.374 1.00 35.10 C +ATOM 2774 CE2 PHE C 78 27.948 -40.279 37.982 1.00 35.21 C +ATOM 2775 CZ PHE C 78 27.236 -40.015 39.151 1.00 34.78 C +ATOM 2776 N PHE C 79 24.161 -39.795 35.583 1.00 25.88 N +ATOM 2777 CA PHE C 79 24.211 -38.419 35.107 1.00 27.21 C +ATOM 2778 C PHE C 79 24.805 -37.596 36.215 1.00 26.27 C +ATOM 2779 O PHE C 79 24.342 -37.636 37.338 1.00 26.52 O +ATOM 2780 CB PHE C 79 22.810 -37.886 34.821 1.00 28.47 C +ATOM 2781 CG PHE C 79 22.032 -38.700 33.825 1.00 27.96 C +ATOM 2782 CD1 PHE C 79 21.941 -38.312 32.497 1.00 28.49 C +ATOM 2783 CD2 PHE C 79 21.435 -39.901 34.203 1.00 27.33 C +ATOM 2784 CE1 PHE C 79 21.222 -39.076 31.548 1.00 27.62 C +ATOM 2785 CE2 PHE C 79 20.704 -40.679 33.246 1.00 28.77 C +ATOM 2786 CZ PHE C 79 20.624 -40.257 31.910 1.00 28.03 C +ATOM 2787 N ALA C 80 25.890 -36.901 35.915 1.00 26.60 N +ATOM 2788 CA ALA C 80 26.508 -36.057 36.901 1.00 26.88 C +ATOM 2789 C ALA C 80 26.928 -34.790 36.172 1.00 27.41 C +ATOM 2790 O ALA C 80 27.934 -34.765 35.470 1.00 27.27 O +ATOM 2791 CB ALA C 80 27.669 -36.745 37.611 1.00 27.65 C +ATOM 2792 N LEU C 81 26.161 -33.725 36.383 1.00 27.08 N +ATOM 2793 CA LEU C 81 26.412 -32.441 35.726 1.00 26.49 C +ATOM 2794 C LEU C 81 26.473 -31.277 36.711 1.00 26.73 C +ATOM 2795 O LEU C 81 25.897 -31.324 37.798 1.00 26.36 O +ATOM 2796 CB LEU C 81 25.321 -32.140 34.692 1.00 27.59 C +ATOM 2797 CG LEU C 81 25.006 -33.222 33.678 1.00 27.16 C +ATOM 2798 CD1 LEU C 81 23.859 -32.771 32.718 1.00 30.06 C +ATOM 2799 CD2 LEU C 81 26.216 -33.561 32.831 1.00 29.74 C +ATOM 2800 N GLU C 82 27.206 -30.224 36.309 1.00 26.77 N +ATOM 2801 CA GLU C 82 27.218 -28.984 37.071 0.70 28.11 C +ATOM 2802 C GLU C 82 27.210 -27.776 36.114 1.00 26.58 C +ATOM 2803 O GLU C 82 27.341 -27.963 34.917 1.00 27.54 O +ATOM 2804 CB GLU C 82 28.426 -28.937 37.970 0.70 29.22 C +ATOM 2805 CG GLU C 82 29.733 -29.006 37.242 0.70 33.36 C +ATOM 2806 CD GLU C 82 30.886 -29.074 38.221 0.70 39.70 C +ATOM 2807 OE1 GLU C 82 31.513 -28.018 38.498 0.70 42.04 O +ATOM 2808 OE2 GLU C 82 31.146 -30.199 38.715 0.70 45.03 O +ATOM 2809 N GLY C 83 26.969 -26.578 36.676 1.00 27.79 N +ATOM 2810 CA GLY C 83 27.027 -25.347 35.893 1.00 28.65 C +ATOM 2811 C GLY C 83 25.676 -24.734 35.558 1.00 31.59 C +ATOM 2812 O GLY C 83 25.619 -23.676 34.912 1.00 31.98 O +ATOM 2813 N PHE C 84 24.586 -25.329 36.045 1.00 31.38 N +ATOM 2814 CA PHE C 84 23.272 -24.700 35.938 1.00 31.56 C +ATOM 2815 C PHE C 84 23.217 -23.472 36.791 1.00 32.56 C +ATOM 2816 O PHE C 84 23.923 -23.366 37.794 1.00 31.29 O +ATOM 2817 CB PHE C 84 22.147 -25.671 36.341 1.00 30.65 C +ATOM 2818 CG PHE C 84 21.992 -26.825 35.407 1.00 32.41 C +ATOM 2819 CD1 PHE C 84 21.271 -26.681 34.236 1.00 33.02 C +ATOM 2820 CD2 PHE C 84 22.558 -28.065 35.683 1.00 33.35 C +ATOM 2821 CE1 PHE C 84 21.084 -27.711 33.388 1.00 32.46 C +ATOM 2822 CE2 PHE C 84 22.395 -29.131 34.798 1.00 33.48 C +ATOM 2823 CZ PHE C 84 21.634 -28.967 33.644 1.00 31.13 C +ATOM 2824 N PRO C 85 22.362 -22.514 36.408 1.00 35.02 N +ATOM 2825 CA PRO C 85 22.146 -21.396 37.299 1.00 37.94 C +ATOM 2826 C PRO C 85 21.781 -21.873 38.730 1.00 39.94 C +ATOM 2827 O PRO C 85 21.070 -22.883 38.894 1.00 40.17 O +ATOM 2828 CB PRO C 85 20.987 -20.659 36.626 1.00 38.45 C +ATOM 2829 CG PRO C 85 21.097 -21.005 35.196 1.00 37.59 C +ATOM 2830 CD PRO C 85 21.555 -22.420 35.178 1.00 36.07 C +ATOM 2831 N THR C 86 22.308 -21.182 39.733 1.00 43.24 N +ATOM 2832 CA THR C 86 22.026 -21.478 41.147 1.00 45.27 C +ATOM 2833 C THR C 86 20.791 -20.739 41.683 1.00 47.61 C +ATOM 2834 O THR C 86 20.261 -21.087 42.734 1.00 47.99 O +ATOM 2835 CB THR C 86 23.195 -21.047 42.008 1.00 45.94 C +ATOM 2836 OG1 THR C 86 23.502 -19.680 41.698 1.00 45.99 O +ATOM 2837 CG2 THR C 86 24.422 -21.925 41.778 1.00 44.81 C +ATOM 2838 N GLU C 87 20.398 -19.665 41.007 1.00 49.77 N +ATOM 2839 CA GLU C 87 19.120 -19.002 41.254 1.00 51.46 C +ATOM 2840 C GLU C 87 18.346 -19.249 39.965 1.00 52.14 C +ATOM 2841 O GLU C 87 18.760 -18.783 38.904 1.00 53.64 O +ATOM 2842 CB GLU C 87 19.291 -17.488 41.491 1.00 51.88 C +ATOM 2843 CG GLU C 87 20.479 -17.081 42.395 1.00 54.90 C +ATOM 2844 CD GLU C 87 20.146 -17.072 43.902 1.00 59.19 C +ATOM 2845 OE1 GLU C 87 19.981 -15.961 44.488 1.00 60.02 O +ATOM 2846 OE2 GLU C 87 20.058 -18.180 44.494 1.00 61.34 O +ATOM 2847 N PRO C 88 17.252 -20.020 40.025 1.00 52.05 N +ATOM 2848 CA PRO C 88 16.607 -20.566 41.206 1.00 51.24 C +ATOM 2849 C PRO C 88 17.348 -21.800 41.742 1.00 50.43 C +ATOM 2850 O PRO C 88 17.732 -22.679 40.972 1.00 49.49 O +ATOM 2851 CB PRO C 88 15.215 -20.955 40.690 1.00 51.49 C +ATOM 2852 CG PRO C 88 15.434 -21.301 39.236 1.00 52.56 C +ATOM 2853 CD PRO C 88 16.613 -20.475 38.772 1.00 52.42 C +ATOM 2854 N ASN C 89 17.601 -21.786 43.046 1.00 49.07 N +ATOM 2855 CA ASN C 89 17.870 -22.970 43.881 1.00 48.42 C +ATOM 2856 C ASN C 89 17.618 -24.362 43.295 1.00 46.99 C +ATOM 2857 O ASN C 89 18.518 -25.205 43.225 1.00 46.88 O +ATOM 2858 CB ASN C 89 16.989 -22.843 45.136 1.00 48.78 C +ATOM 2859 CG ASN C 89 15.644 -22.148 44.842 1.00 50.41 C +ATOM 2860 OD1 ASN C 89 14.706 -22.764 44.307 1.00 52.70 O +ATOM 2861 ND2 ASN C 89 15.568 -20.847 45.155 1.00 49.57 N +ATOM 2862 N SER C 90 16.371 -24.594 42.906 1.00 45.25 N +ATOM 2863 CA SER C 90 15.917 -25.901 42.470 1.00 44.09 C +ATOM 2864 C SER C 90 15.178 -25.740 41.144 1.00 43.49 C +ATOM 2865 O SER C 90 14.272 -24.895 41.051 1.00 43.66 O +ATOM 2866 CB SER C 90 14.960 -26.473 43.515 1.00 44.20 C +ATOM 2867 OG SER C 90 14.481 -27.738 43.088 1.00 44.66 O +ATOM 2868 N SER C 91 15.545 -26.562 40.146 1.00 40.48 N +ATOM 2869 CA SER C 91 14.879 -26.568 38.838 1.00 39.18 C +ATOM 2870 C SER C 91 14.800 -27.999 38.254 1.00 37.21 C +ATOM 2871 O SER C 91 15.292 -28.967 38.860 1.00 37.21 O +ATOM 2872 CB SER C 91 15.614 -25.608 37.894 1.00 39.32 C +ATOM 2873 OG SER C 91 16.853 -26.139 37.438 1.00 40.49 O +ATOM 2874 N SER C 92 14.144 -28.137 37.101 1.00 34.95 N +ATOM 2875 CA SER C 92 13.936 -29.425 36.437 1.00 34.20 C +ATOM 2876 C SER C 92 14.352 -29.247 34.975 1.00 32.88 C +ATOM 2877 O SER C 92 13.998 -28.248 34.336 1.00 33.44 O +ATOM 2878 CB SER C 92 12.481 -29.836 36.547 1.00 35.88 C +ATOM 2879 OG SER C 92 12.300 -31.117 36.014 1.00 39.60 O +ATOM 2880 N ARG C 93 15.219 -30.127 34.481 1.00 29.87 N +ATOM 2881 CA ARG C 93 15.838 -29.947 33.142 1.00 28.27 C +ATOM 2882 C ARG C 93 15.800 -31.256 32.342 1.00 28.27 C +ATOM 2883 O ARG C 93 16.023 -32.317 32.922 1.00 28.10 O +ATOM 2884 CB ARG C 93 17.308 -29.448 33.255 1.00 29.05 C +ATOM 2885 CG ARG C 93 17.505 -28.249 34.155 1.00 31.57 C +ATOM 2886 CD ARG C 93 17.245 -26.924 33.406 1.00 35.37 C +ATOM 2887 NE ARG C 93 17.435 -25.804 34.352 1.00 38.44 N +ATOM 2888 CZ ARG C 93 17.897 -24.575 34.070 1.00 41.30 C +ATOM 2889 NH1 ARG C 93 18.250 -24.167 32.844 1.00 42.45 N +ATOM 2890 NH2 ARG C 93 18.022 -23.709 35.065 1.00 42.31 N +ATOM 2891 N ALA C 94 15.556 -31.162 31.032 1.00 26.32 N +ATOM 2892 CA ALA C 94 15.376 -32.351 30.174 1.00 25.72 C +ATOM 2893 C ALA C 94 16.720 -32.811 29.635 1.00 25.81 C +ATOM 2894 O ALA C 94 17.574 -31.994 29.286 1.00 25.61 O +ATOM 2895 CB ALA C 94 14.434 -32.069 29.002 1.00 26.70 C +ATOM 2896 N ILE C 95 16.863 -34.130 29.473 1.00 25.96 N +ATOM 2897 CA ILE C 95 17.966 -34.695 28.739 1.00 26.19 C +ATOM 2898 C ILE C 95 17.438 -35.744 27.754 1.00 26.81 C +ATOM 2899 O ILE C 95 16.604 -36.585 28.146 1.00 28.09 O +ATOM 2900 CB ILE C 95 18.996 -35.330 29.701 1.00 26.28 C +ATOM 2901 CG1 ILE C 95 19.389 -34.308 30.805 1.00 25.94 C +ATOM 2902 CG2 ILE C 95 20.266 -35.867 28.910 1.00 27.03 C +ATOM 2903 CD1 ILE C 95 20.437 -34.850 31.794 1.00 27.39 C +ATOM 2904 N HIS C 96 17.927 -35.697 26.512 1.00 27.12 N +ATOM 2905 CA HIS C 96 17.499 -36.609 25.453 1.00 27.62 C +ATOM 2906 C HIS C 96 18.682 -37.118 24.632 1.00 27.74 C +ATOM 2907 O HIS C 96 19.712 -36.490 24.590 1.00 27.48 O +ATOM 2908 CB HIS C 96 16.648 -35.872 24.410 1.00 29.78 C +ATOM 2909 CG HIS C 96 15.545 -35.041 24.951 1.00 30.05 C +ATOM 2910 ND1 HIS C 96 15.411 -33.698 24.611 1.00 29.58 N +ATOM 2911 CD2 HIS C 96 14.505 -35.338 25.777 1.00 29.20 C +ATOM 2912 CE1 HIS C 96 14.334 -33.223 25.196 1.00 29.79 C +ATOM 2913 NE2 HIS C 96 13.754 -34.194 25.894 1.00 30.12 N +ATOM 2914 N VAL C 97 18.475 -38.190 23.904 1.00 26.18 N +ATOM 2915 CA VAL C 97 19.375 -38.595 22.861 1.00 26.93 C +ATOM 2916 C VAL C 97 18.882 -38.029 21.559 1.00 26.64 C +ATOM 2917 O VAL C 97 17.690 -38.237 21.183 1.00 27.72 O +ATOM 2918 CB VAL C 97 19.494 -40.108 22.785 1.00 26.50 C +ATOM 2919 CG1 VAL C 97 20.416 -40.509 21.636 1.00 27.91 C +ATOM 2920 CG2 VAL C 97 20.026 -40.642 24.124 1.00 28.28 C +ATOM 2921 N HIS C 98 19.773 -37.352 20.844 1.00 26.12 N +ATOM 2922 CA HIS C 98 19.452 -36.847 19.526 1.00 26.03 C +ATOM 2923 C HIS C 98 20.155 -37.689 18.471 1.00 26.45 C +ATOM 2924 O HIS C 98 21.138 -38.389 18.752 1.00 26.54 O +ATOM 2925 CB HIS C 98 19.816 -35.355 19.404 1.00 27.20 C +ATOM 2926 CG HIS C 98 18.915 -34.447 20.166 1.00 27.36 C +ATOM 2927 ND1 HIS C 98 18.261 -33.404 19.561 1.00 30.08 N +ATOM 2928 CD2 HIS C 98 18.534 -34.426 21.473 1.00 27.44 C +ATOM 2929 CE1 HIS C 98 17.514 -32.790 20.459 1.00 29.28 C +ATOM 2930 NE2 HIS C 98 17.652 -33.384 21.625 1.00 27.83 N +ATOM 2931 N GLN C 99 19.672 -37.568 17.251 1.00 26.16 N +ATOM 2932 CA GLN C 99 19.996 -38.558 16.183 1.00 26.47 C +ATOM 2933 C GLN C 99 21.456 -38.608 15.840 1.00 26.01 C +ATOM 2934 O GLN C 99 22.006 -39.705 15.610 1.00 27.64 O +ATOM 2935 CB GLN C 99 19.213 -38.232 14.925 1.00 27.06 C +ATOM 2936 CG GLN C 99 19.314 -39.312 13.854 1.00 28.94 C +ATOM 2937 CD GLN C 99 18.474 -38.976 12.636 1.00 29.64 C +ATOM 2938 OE1 GLN C 99 17.751 -37.988 12.640 1.00 29.06 O +ATOM 2939 NE2 GLN C 99 18.523 -39.821 11.622 1.00 26.76 N +ATOM 2940 N PHE C 100 22.073 -37.443 15.729 1.00 24.80 N +ATOM 2941 CA PHE C 100 23.480 -37.360 15.207 1.00 25.56 C +ATOM 2942 C PHE C 100 24.507 -36.895 16.203 1.00 26.30 C +ATOM 2943 O PHE C 100 24.270 -35.894 16.904 1.00 26.52 O +ATOM 2944 CB PHE C 100 23.521 -36.439 13.995 1.00 25.51 C +ATOM 2945 CG PHE C 100 22.633 -36.862 12.851 1.00 28.24 C +ATOM 2946 CD1 PHE C 100 22.693 -38.148 12.333 1.00 28.06 C +ATOM 2947 CD2 PHE C 100 21.791 -35.951 12.263 1.00 32.56 C +ATOM 2948 CE1 PHE C 100 21.902 -38.508 11.246 1.00 32.03 C +ATOM 2949 CE2 PHE C 100 21.001 -36.326 11.194 1.00 31.02 C +ATOM 2950 CZ PHE C 100 21.089 -37.600 10.697 1.00 30.86 C +ATOM 2951 N GLY C 101 25.646 -37.602 16.265 1.00 27.44 N +ATOM 2952 CA GLY C 101 26.791 -37.211 17.076 1.00 27.80 C +ATOM 2953 C GLY C 101 27.595 -36.225 16.269 1.00 27.62 C +ATOM 2954 O GLY C 101 28.785 -36.429 15.975 1.00 27.04 O +ATOM 2955 N ASP C 102 26.933 -35.104 15.956 1.00 28.66 N +ATOM 2956 CA ASP C 102 27.482 -34.102 15.038 1.00 27.96 C +ATOM 2957 C ASP C 102 27.523 -32.765 15.813 1.00 28.18 C +ATOM 2958 O ASP C 102 26.490 -32.101 15.975 1.00 26.86 O +ATOM 2959 CB ASP C 102 26.663 -34.006 13.754 1.00 27.66 C +ATOM 2960 CG ASP C 102 27.116 -32.868 12.843 1.00 27.92 C +ATOM 2961 OD1 ASP C 102 28.133 -32.184 13.179 1.00 28.74 O +ATOM 2962 OD2 ASP C 102 26.521 -32.704 11.762 1.00 30.29 O +ATOM 2963 N LEU C 103 28.724 -32.429 16.274 1.00 28.10 N +ATOM 2964 CA LEU C 103 28.946 -31.197 17.060 1.00 27.89 C +ATOM 2965 C LEU C 103 29.529 -30.035 16.246 1.00 27.21 C +ATOM 2966 O LEU C 103 30.039 -29.060 16.830 1.00 27.97 O +ATOM 2967 CB LEU C 103 29.840 -31.521 18.261 1.00 28.76 C +ATOM 2968 CG LEU C 103 29.219 -32.133 19.519 1.00 34.15 C +ATOM 2969 CD1 LEU C 103 27.933 -32.856 19.406 1.00 34.23 C +ATOM 2970 CD2 LEU C 103 30.245 -32.749 20.509 1.00 33.25 C +ATOM 2971 N SER C 104 29.408 -30.089 14.921 1.00 25.96 N +ATOM 2972 CA SER C 104 29.912 -29.082 14.014 1.00 27.41 C +ATOM 2973 C SER C 104 29.324 -27.702 14.314 1.00 27.30 C +ATOM 2974 O SER C 104 30.014 -26.689 14.130 1.00 28.95 O +ATOM 2975 CB SER C 104 29.687 -29.477 12.568 1.00 27.94 C +ATOM 2976 OG SER C 104 28.361 -29.695 12.230 1.00 28.23 O +ATOM 2977 N GLN C 105 28.042 -27.683 14.701 1.00 28.65 N +ATOM 2978 CA GLN C 105 27.345 -26.430 15.098 1.00 28.98 C +ATOM 2979 C GLN C 105 26.918 -26.612 16.532 1.00 28.82 C +ATOM 2980 O GLN C 105 25.780 -26.329 16.924 1.00 29.13 O +ATOM 2981 CB GLN C 105 26.138 -26.139 14.199 1.00 31.07 C +ATOM 2982 CG GLN C 105 26.530 -25.916 12.774 1.00 35.85 C +ATOM 2983 CD GLN C 105 27.409 -24.686 12.649 1.00 41.64 C +ATOM 2984 OE1 GLN C 105 27.265 -23.723 13.431 1.00 48.01 O +ATOM 2985 NE2 GLN C 105 28.350 -24.712 11.689 1.00 48.21 N +ATOM 2986 N GLY C 106 27.837 -27.075 17.366 1.00 28.72 N +ATOM 2987 CA GLY C 106 27.498 -27.420 18.730 1.00 28.81 C +ATOM 2988 C GLY C 106 26.310 -28.368 18.797 1.00 29.23 C +ATOM 2989 O GLY C 106 26.174 -29.314 17.987 1.00 27.95 O +ATOM 2990 N CYS C 107 25.438 -28.153 19.780 1.00 28.78 N +ATOM 2991 CA CYS C 107 24.292 -29.001 19.997 1.00 30.27 C +ATOM 2992 C CYS C 107 23.290 -28.856 18.876 1.00 27.77 C +ATOM 2993 O CYS C 107 22.415 -29.706 18.714 1.00 26.41 O +ATOM 2994 CB CYS C 107 23.648 -28.768 21.410 1.00 29.55 C +ATOM 2995 SG CYS C 107 24.814 -28.900 22.715 1.00 38.24 S +ATOM 2996 N GLU C 108 23.382 -27.764 18.099 1.00 26.68 N +ATOM 2997 CA GLU C 108 22.373 -27.487 17.096 1.00 27.17 C +ATOM 2998 C GLU C 108 22.383 -28.492 15.947 1.00 27.22 C +ATOM 2999 O GLU C 108 21.311 -28.772 15.375 1.00 30.03 O +ATOM 3000 CB GLU C 108 22.490 -26.072 16.584 1.00 28.06 C +ATOM 3001 CG GLU C 108 22.458 -25.001 17.727 1.00 28.85 C +ATOM 3002 CD GLU C 108 21.154 -25.006 18.450 1.00 34.63 C +ATOM 3003 OE1 GLU C 108 20.107 -25.164 17.782 1.00 38.71 O +ATOM 3004 OE2 GLU C 108 21.152 -24.796 19.669 1.00 39.34 O +ATOM 3005 N SER C 109 23.542 -29.078 15.647 1.00 26.59 N +ATOM 3006 CA SER C 109 23.734 -29.972 14.527 1.00 26.19 C +ATOM 3007 C SER C 109 23.421 -31.459 14.865 1.00 26.14 C +ATOM 3008 O SER C 109 23.578 -32.342 14.006 1.00 26.83 O +ATOM 3009 CB SER C 109 25.193 -29.865 13.992 1.00 26.14 C +ATOM 3010 OG SER C 109 26.098 -29.724 15.039 1.00 25.70 O +ATOM 3011 N THR C 110 22.934 -31.718 16.081 1.00 27.60 N +ATOM 3012 CA THR C 110 22.707 -33.088 16.538 1.00 28.03 C +ATOM 3013 C THR C 110 21.377 -33.620 16.047 1.00 27.52 C +ATOM 3014 O THR C 110 21.081 -34.796 16.246 1.00 28.13 O +ATOM 3015 CB THR C 110 22.776 -33.218 18.022 1.00 28.75 C +ATOM 3016 OG1 THR C 110 21.805 -32.364 18.656 1.00 28.19 O +ATOM 3017 CG2 THR C 110 24.204 -32.873 18.563 1.00 27.12 C +ATOM 3018 N GLY C 111 20.589 -32.788 15.389 1.00 26.09 N +ATOM 3019 CA GLY C 111 19.381 -33.273 14.746 1.00 26.34 C +ATOM 3020 C GLY C 111 18.228 -33.405 15.704 1.00 25.98 C +ATOM 3021 O GLY C 111 18.264 -32.829 16.816 1.00 27.32 O +ATOM 3022 N PRO C 112 17.187 -34.105 15.248 1.00 28.18 N +ATOM 3023 CA PRO C 112 16.021 -34.308 16.127 1.00 28.59 C +ATOM 3024 C PRO C 112 16.250 -35.459 17.095 1.00 28.36 C +ATOM 3025 O PRO C 112 17.359 -36.004 17.152 1.00 28.48 O +ATOM 3026 CB PRO C 112 14.902 -34.621 15.126 1.00 28.04 C +ATOM 3027 CG PRO C 112 15.615 -35.411 14.079 1.00 28.98 C +ATOM 3028 CD PRO C 112 17.000 -34.758 13.945 1.00 28.39 C +ATOM 3029 N HIS C 113 15.223 -35.833 17.871 1.00 27.91 N +ATOM 3030 CA HIS C 113 15.353 -36.974 18.778 1.00 26.83 C +ATOM 3031 C HIS C 113 15.599 -38.202 17.952 1.00 26.43 C +ATOM 3032 O HIS C 113 14.981 -38.377 16.922 1.00 27.05 O +ATOM 3033 CB HIS C 113 14.105 -37.164 19.636 1.00 26.93 C +ATOM 3034 CG HIS C 113 13.925 -36.060 20.620 1.00 25.33 C +ATOM 3035 ND1 HIS C 113 13.049 -36.111 21.682 1.00 27.10 N +ATOM 3036 CD2 HIS C 113 14.509 -34.842 20.671 1.00 27.33 C +ATOM 3037 CE1 HIS C 113 13.114 -34.976 22.349 1.00 26.87 C +ATOM 3038 NE2 HIS C 113 14.001 -34.192 21.767 1.00 27.30 N +ATOM 3039 N TYR C 114 16.466 -39.059 18.453 1.00 26.75 N +ATOM 3040 CA TYR C 114 16.677 -40.372 17.844 1.00 27.64 C +ATOM 3041 C TYR C 114 15.382 -41.221 17.945 1.00 27.21 C +ATOM 3042 O TYR C 114 14.895 -41.476 19.030 1.00 28.11 O +ATOM 3043 CB TYR C 114 17.877 -41.085 18.455 1.00 28.43 C +ATOM 3044 CG TYR C 114 18.205 -42.403 17.824 1.00 26.26 C +ATOM 3045 CD1 TYR C 114 18.277 -42.583 16.442 1.00 25.26 C +ATOM 3046 CD2 TYR C 114 18.445 -43.522 18.624 1.00 28.98 C +ATOM 3047 CE1 TYR C 114 18.582 -43.812 15.900 1.00 28.50 C +ATOM 3048 CE2 TYR C 114 18.733 -44.741 18.080 1.00 28.05 C +ATOM 3049 CZ TYR C 114 18.813 -44.905 16.732 1.00 27.95 C +ATOM 3050 OH TYR C 114 19.147 -46.165 16.184 1.00 28.45 O +ATOM 3051 N ASN C 115 14.874 -41.657 16.811 1.00 27.98 N +ATOM 3052 CA ASN C 115 13.543 -42.255 16.744 1.00 28.68 C +ATOM 3053 C ASN C 115 13.536 -43.386 15.691 1.00 30.80 C +ATOM 3054 O ASN C 115 12.871 -43.296 14.651 1.00 31.40 O +ATOM 3055 CB ASN C 115 12.525 -41.181 16.438 1.00 29.02 C +ATOM 3056 CG ASN C 115 11.109 -41.693 16.522 1.00 28.11 C +ATOM 3057 OD1 ASN C 115 10.848 -42.792 17.067 1.00 28.23 O +ATOM 3058 ND2 ASN C 115 10.181 -40.925 15.982 1.00 31.06 N +ATOM 3059 N PRO C 116 14.284 -44.467 15.975 1.00 30.77 N +ATOM 3060 CA PRO C 116 14.420 -45.576 15.033 1.00 31.61 C +ATOM 3061 C PRO C 116 13.154 -46.379 14.819 1.00 32.10 C +ATOM 3062 O PRO C 116 13.019 -46.983 13.759 1.00 33.16 O +ATOM 3063 CB PRO C 116 15.497 -46.444 15.678 1.00 31.75 C +ATOM 3064 CG PRO C 116 15.414 -46.161 17.094 1.00 31.68 C +ATOM 3065 CD PRO C 116 15.078 -44.672 17.188 1.00 31.29 C +ATOM 3066 N LEU C 117 12.252 -46.379 15.802 1.00 32.47 N +ATOM 3067 CA LEU C 117 11.009 -47.169 15.734 1.00 34.36 C +ATOM 3068 C LEU C 117 9.828 -46.304 15.289 1.00 33.79 C +ATOM 3069 O LEU C 117 8.712 -46.817 15.164 1.00 34.76 O +ATOM 3070 CB LEU C 117 10.694 -47.834 17.086 1.00 34.93 C +ATOM 3071 CG LEU C 117 11.641 -48.920 17.608 1.00 37.03 C +ATOM 3072 CD1 LEU C 117 11.038 -49.541 18.871 1.00 39.32 C +ATOM 3073 CD2 LEU C 117 11.959 -49.984 16.558 1.00 39.47 C +ATOM 3074 N ALA C 118 10.080 -45.022 14.992 1.00 33.17 N +ATOM 3075 CA ALA C 118 9.048 -44.151 14.425 1.00 33.16 C +ATOM 3076 C ALA C 118 7.841 -44.055 15.379 1.00 32.61 C +ATOM 3077 O ALA C 118 6.684 -44.376 15.010 1.00 34.06 O +ATOM 3078 CB ALA C 118 8.583 -44.683 13.111 1.00 31.99 C +ATOM 3079 N VAL C 119 8.097 -43.603 16.597 1.00 31.31 N +ATOM 3080 CA VAL C 119 7.052 -43.425 17.590 1.00 29.29 C +ATOM 3081 C VAL C 119 7.108 -41.972 18.097 1.00 29.58 C +ATOM 3082 O VAL C 119 8.113 -41.284 17.969 1.00 28.20 O +ATOM 3083 CB VAL C 119 7.245 -44.408 18.739 1.00 28.88 C +ATOM 3084 CG1 VAL C 119 7.057 -45.876 18.241 1.00 28.28 C +ATOM 3085 CG2 VAL C 119 8.621 -44.247 19.340 1.00 29.21 C +ATOM 3086 N PRO C 120 5.995 -41.480 18.644 1.00 29.53 N +ATOM 3087 CA PRO C 120 5.977 -40.112 19.108 1.00 28.93 C +ATOM 3088 C PRO C 120 6.788 -39.900 20.362 1.00 27.69 C +ATOM 3089 O PRO C 120 6.975 -40.832 21.142 1.00 28.15 O +ATOM 3090 CB PRO C 120 4.487 -39.868 19.459 1.00 28.28 C +ATOM 3091 CG PRO C 120 3.787 -41.041 19.092 1.00 30.65 C +ATOM 3092 CD PRO C 120 4.717 -42.154 18.861 1.00 30.78 C +ATOM 3093 N HIS C 121 7.185 -38.655 20.573 1.00 26.83 N +ATOM 3094 CA HIS C 121 7.714 -38.207 21.852 1.00 26.52 C +ATOM 3095 C HIS C 121 6.563 -38.280 22.883 1.00 25.93 C +ATOM 3096 O HIS C 121 5.444 -37.880 22.565 1.00 26.43 O +ATOM 3097 CB HIS C 121 8.206 -36.765 21.746 1.00 25.86 C +ATOM 3098 CG HIS C 121 8.908 -36.287 22.975 1.00 25.13 C +ATOM 3099 ND1 HIS C 121 10.229 -36.601 23.260 1.00 24.39 N +ATOM 3100 CD2 HIS C 121 8.463 -35.550 24.015 1.00 25.08 C +ATOM 3101 CE1 HIS C 121 10.555 -36.070 24.422 1.00 24.34 C +ATOM 3102 NE2 HIS C 121 9.502 -35.433 24.911 1.00 25.22 N +ATOM 3103 N PRO C 122 6.840 -38.743 24.118 1.00 27.06 N +ATOM 3104 CA PRO C 122 8.133 -39.141 24.701 1.00 26.08 C +ATOM 3105 C PRO C 122 8.428 -40.654 24.713 1.00 27.28 C +ATOM 3106 O PRO C 122 8.928 -41.139 25.719 1.00 29.39 O +ATOM 3107 CB PRO C 122 7.981 -38.671 26.157 1.00 27.40 C +ATOM 3108 CG PRO C 122 6.528 -38.881 26.445 1.00 26.01 C +ATOM 3109 CD PRO C 122 5.768 -38.812 25.137 1.00 25.87 C +ATOM 3110 N GLN C 123 8.161 -41.360 23.629 1.00 27.63 N +ATOM 3111 CA GLN C 123 8.384 -42.828 23.568 1.00 27.57 C +ATOM 3112 C GLN C 123 9.683 -43.143 22.838 1.00 27.86 C +ATOM 3113 O GLN C 123 10.009 -44.313 22.597 1.00 27.48 O +ATOM 3114 CB GLN C 123 7.216 -43.538 22.876 1.00 29.08 C +ATOM 3115 CG GLN C 123 5.923 -43.462 23.672 1.00 32.65 C +ATOM 3116 CD GLN C 123 4.828 -44.214 23.015 1.00 36.48 C +ATOM 3117 OE1 GLN C 123 5.074 -45.113 22.196 1.00 40.36 O +ATOM 3118 NE2 GLN C 123 3.589 -43.870 23.353 1.00 39.95 N +ATOM 3119 N HIS C 124 10.453 -42.105 22.504 1.00 25.92 N +ATOM 3120 CA HIS C 124 11.786 -42.307 21.855 1.00 26.47 C +ATOM 3121 C HIS C 124 12.743 -43.010 22.827 1.00 27.22 C +ATOM 3122 O HIS C 124 12.614 -42.841 24.041 1.00 27.10 O +ATOM 3123 CB HIS C 124 12.386 -40.960 21.440 1.00 26.82 C +ATOM 3124 CG HIS C 124 11.508 -40.161 20.540 1.00 25.44 C +ATOM 3125 ND1 HIS C 124 11.431 -38.788 20.634 1.00 25.77 N +ATOM 3126 CD2 HIS C 124 10.712 -40.530 19.505 1.00 27.16 C +ATOM 3127 CE1 HIS C 124 10.606 -38.354 19.688 1.00 26.07 C +ATOM 3128 NE2 HIS C 124 10.172 -39.385 18.985 1.00 25.33 N +ATOM 3129 N PRO C 125 13.667 -43.857 22.310 1.00 30.02 N +ATOM 3130 CA PRO C 125 14.473 -44.646 23.253 1.00 31.23 C +ATOM 3131 C PRO C 125 15.293 -43.839 24.235 1.00 30.75 C +ATOM 3132 O PRO C 125 15.459 -44.240 25.378 1.00 32.32 O +ATOM 3133 CB PRO C 125 15.389 -45.474 22.324 1.00 30.66 C +ATOM 3134 CG PRO C 125 15.344 -44.777 20.998 1.00 31.57 C +ATOM 3135 CD PRO C 125 13.965 -44.229 20.918 1.00 29.92 C +ATOM 3136 N GLY C 126 15.772 -42.691 23.790 1.00 30.20 N +ATOM 3137 CA GLY C 126 16.570 -41.829 24.609 1.00 30.41 C +ATOM 3138 C GLY C 126 15.862 -40.640 25.203 1.00 29.60 C +ATOM 3139 O GLY C 126 16.514 -39.663 25.535 1.00 30.81 O +ATOM 3140 N ASP C 127 14.535 -40.722 25.354 1.00 28.20 N +ATOM 3141 CA ASP C 127 13.764 -39.746 26.076 1.00 28.89 C +ATOM 3142 C ASP C 127 13.953 -39.982 27.570 1.00 29.30 C +ATOM 3143 O ASP C 127 13.166 -40.687 28.192 1.00 28.85 O +ATOM 3144 CB ASP C 127 12.292 -39.857 25.677 1.00 28.46 C +ATOM 3145 CG ASP C 127 12.008 -39.218 24.318 1.00 28.17 C +ATOM 3146 OD1 ASP C 127 12.813 -38.357 23.849 1.00 27.16 O +ATOM 3147 OD2 ASP C 127 10.947 -39.503 23.747 1.00 27.47 O +ATOM 3148 N PHE C 128 14.994 -39.384 28.145 1.00 29.05 N +ATOM 3149 CA PHE C 128 15.325 -39.644 29.558 1.00 29.44 C +ATOM 3150 C PHE C 128 14.484 -38.811 30.540 1.00 31.18 C +ATOM 3151 O PHE C 128 14.464 -39.090 31.714 1.00 31.06 O +ATOM 3152 CB PHE C 128 16.814 -39.461 29.841 1.00 29.52 C +ATOM 3153 CG PHE C 128 17.749 -40.265 28.969 1.00 29.22 C +ATOM 3154 CD1 PHE C 128 17.527 -41.594 28.655 1.00 33.33 C +ATOM 3155 CD2 PHE C 128 18.920 -39.651 28.466 1.00 30.58 C +ATOM 3156 CE1 PHE C 128 18.430 -42.281 27.899 1.00 32.37 C +ATOM 3157 CE2 PHE C 128 19.808 -40.357 27.703 1.00 32.75 C +ATOM 3158 CZ PHE C 128 19.570 -41.675 27.448 1.00 30.41 C +ATOM 3159 N GLY C 129 13.791 -37.790 30.053 1.00 30.44 N +ATOM 3160 CA GLY C 129 12.825 -37.091 30.849 1.00 30.28 C +ATOM 3161 C GLY C 129 13.498 -35.978 31.624 1.00 30.07 C +ATOM 3162 O GLY C 129 14.531 -35.508 31.203 1.00 28.27 O +ATOM 3163 N ASN C 130 12.849 -35.528 32.699 1.00 28.79 N +ATOM 3164 CA ASN C 130 13.352 -34.368 33.469 1.00 28.53 C +ATOM 3165 C ASN C 130 14.170 -34.796 34.681 1.00 29.05 C +ATOM 3166 O ASN C 130 13.905 -35.803 35.325 1.00 28.33 O +ATOM 3167 CB ASN C 130 12.193 -33.521 33.934 1.00 29.45 C +ATOM 3168 CG ASN C 130 11.405 -32.981 32.774 1.00 30.32 C +ATOM 3169 OD1 ASN C 130 10.146 -33.156 32.679 1.00 32.01 O +ATOM 3170 ND2 ASN C 130 12.104 -32.360 31.883 1.00 24.23 N +ATOM 3171 N PHE C 131 15.150 -33.968 35.007 1.00 28.17 N +ATOM 3172 CA PHE C 131 16.056 -34.229 36.130 1.00 28.78 C +ATOM 3173 C PHE C 131 16.059 -33.060 37.101 1.00 28.31 C +ATOM 3174 O PHE C 131 16.038 -31.914 36.670 1.00 29.52 O +ATOM 3175 CB PHE C 131 17.491 -34.425 35.593 1.00 28.32 C +ATOM 3176 CG PHE C 131 17.668 -35.686 34.785 1.00 27.96 C +ATOM 3177 CD1 PHE C 131 18.251 -36.814 35.361 1.00 28.34 C +ATOM 3178 CD2 PHE C 131 17.188 -35.773 33.495 1.00 29.82 C +ATOM 3179 CE1 PHE C 131 18.393 -37.991 34.637 1.00 30.20 C +ATOM 3180 CE2 PHE C 131 17.349 -36.937 32.748 1.00 28.89 C +ATOM 3181 CZ PHE C 131 17.948 -38.051 33.325 1.00 29.87 C +ATOM 3182 N ALA C 132 16.156 -33.381 38.389 1.00 28.84 N +ATOM 3183 CA ALA C 132 16.231 -32.415 39.474 1.00 28.71 C +ATOM 3184 C ALA C 132 17.618 -31.770 39.452 1.00 29.47 C +ATOM 3185 O ALA C 132 18.662 -32.458 39.351 1.00 31.05 O +ATOM 3186 CB ALA C 132 15.995 -33.103 40.849 1.00 29.09 C +ATOM 3187 N VAL C 133 17.628 -30.460 39.457 1.00 29.66 N +ATOM 3188 CA VAL C 133 18.848 -29.706 39.599 1.00 29.67 C +ATOM 3189 C VAL C 133 18.776 -28.988 40.966 1.00 30.18 C +ATOM 3190 O VAL C 133 17.749 -28.377 41.318 1.00 29.94 O +ATOM 3191 CB VAL C 133 18.991 -28.728 38.438 1.00 29.91 C +ATOM 3192 CG1 VAL C 133 20.112 -27.683 38.803 1.00 29.36 C +ATOM 3193 CG2 VAL C 133 19.202 -29.536 37.069 1.00 31.59 C +ATOM 3194 N ARG C 134 19.847 -29.095 41.771 1.00 29.70 N +ATOM 3195 CA ARG C 134 19.901 -28.494 43.096 1.00 30.39 C +ATOM 3196 C ARG C 134 21.207 -27.699 43.187 1.00 30.01 C +ATOM 3197 O ARG C 134 22.269 -28.271 42.999 1.00 29.92 O +ATOM 3198 CB ARG C 134 19.836 -29.589 44.192 1.00 30.78 C +ATOM 3199 CG ARG C 134 20.132 -29.176 45.591 1.00 31.70 C +ATOM 3200 CD ARG C 134 19.928 -30.304 46.650 1.00 31.90 C +ATOM 3201 NE ARG C 134 21.010 -31.303 46.624 1.00 33.98 N +ATOM 3202 CZ ARG C 134 22.195 -31.166 47.238 1.00 35.59 C +ATOM 3203 NH1 ARG C 134 22.486 -30.074 47.948 1.00 36.57 N +ATOM 3204 NH2 ARG C 134 23.106 -32.133 47.137 1.00 36.63 N +ATOM 3205 N ASP C 135 21.109 -26.413 43.495 1.00 30.10 N +ATOM 3206 CA ASP C 135 22.294 -25.563 43.670 1.00 30.82 C +ATOM 3207 C ASP C 135 23.247 -25.703 42.486 1.00 29.05 C +ATOM 3208 O ASP C 135 24.475 -25.750 42.679 1.00 30.08 O +ATOM 3209 CB ASP C 135 23.056 -25.970 44.916 1.00 30.55 C +ATOM 3210 CG ASP C 135 24.083 -24.898 45.368 1.00 38.45 C +ATOM 3211 OD1 ASP C 135 23.891 -23.683 45.068 1.00 46.54 O +ATOM 3212 OD2 ASP C 135 25.082 -25.275 46.043 1.00 47.43 O +ATOM 3213 N GLY C 136 22.684 -25.798 41.292 1.00 28.82 N +ATOM 3214 CA GLY C 136 23.424 -25.802 40.033 1.00 28.24 C +ATOM 3215 C GLY C 136 23.895 -27.147 39.540 1.00 26.92 C +ATOM 3216 O GLY C 136 24.507 -27.223 38.462 1.00 27.13 O +ATOM 3217 N SER C 137 23.614 -28.221 40.291 1.00 26.10 N +ATOM 3218 CA SER C 137 24.128 -29.538 39.979 0.70 26.93 C +ATOM 3219 C SER C 137 23.006 -30.560 39.806 1.00 27.05 C +ATOM 3220 O SER C 137 21.966 -30.440 40.436 1.00 27.30 O +ATOM 3221 CB SER C 137 25.096 -29.982 41.088 0.70 28.68 C +ATOM 3222 OG SER C 137 26.351 -29.223 41.040 0.70 29.61 O +ATOM 3223 N LEU C 138 23.301 -31.579 39.044 1.00 27.75 N +ATOM 3224 CA LEU C 138 22.379 -32.672 38.733 1.00 28.64 C +ATOM 3225 C LEU C 138 23.155 -33.966 38.973 1.00 28.99 C +ATOM 3226 O LEU C 138 24.237 -34.127 38.439 1.00 30.23 O +ATOM 3227 CB LEU C 138 22.008 -32.517 37.274 1.00 29.19 C +ATOM 3228 CG LEU C 138 21.076 -33.472 36.540 1.00 29.09 C +ATOM 3229 CD1 LEU C 138 20.586 -32.795 35.258 1.00 30.66 C +ATOM 3230 CD2 LEU C 138 21.701 -34.802 36.228 1.00 28.67 C +ATOM 3231 N TRP C 139 22.615 -34.888 39.756 1.00 27.41 N +ATOM 3232 CA TRP C 139 23.324 -36.118 40.085 1.00 28.39 C +ATOM 3233 C TRP C 139 22.250 -37.183 40.222 1.00 27.11 C +ATOM 3234 O TRP C 139 21.419 -37.128 41.120 1.00 26.64 O +ATOM 3235 CB TRP C 139 24.123 -35.942 41.360 1.00 27.87 C +ATOM 3236 CG TRP C 139 25.126 -37.029 41.762 1.00 28.43 C +ATOM 3237 CD1 TRP C 139 26.474 -37.030 41.511 1.00 30.72 C +ATOM 3238 CD2 TRP C 139 24.860 -38.208 42.489 1.00 30.67 C +ATOM 3239 NE1 TRP C 139 27.056 -38.133 42.057 1.00 32.75 N +ATOM 3240 CE2 TRP C 139 26.091 -38.877 42.674 1.00 31.05 C +ATOM 3241 CE3 TRP C 139 23.710 -38.768 43.033 1.00 31.61 C +ATOM 3242 CZ2 TRP C 139 26.185 -40.080 43.349 1.00 33.21 C +ATOM 3243 CZ3 TRP C 139 23.809 -39.949 43.707 1.00 30.73 C +ATOM 3244 CH2 TRP C 139 25.032 -40.601 43.858 1.00 33.12 C +ATOM 3245 N ARG C 140 22.253 -38.131 39.303 1.00 26.60 N +ATOM 3246 CA ARG C 140 21.168 -39.099 39.244 1.00 26.98 C +ATOM 3247 C ARG C 140 21.577 -40.371 38.548 1.00 26.89 C +ATOM 3248 O ARG C 140 22.175 -40.349 37.499 1.00 27.02 O +ATOM 3249 CB ARG C 140 19.980 -38.505 38.516 1.00 27.23 C +ATOM 3250 CG ARG C 140 18.774 -39.453 38.411 1.00 31.27 C +ATOM 3251 CD ARG C 140 18.063 -39.595 39.733 1.00 34.29 C +ATOM 3252 NE ARG C 140 17.200 -40.785 39.695 1.00 39.03 N +ATOM 3253 CZ ARG C 140 15.885 -40.789 39.492 1.00 39.95 C +ATOM 3254 NH1 ARG C 140 15.203 -39.664 39.351 1.00 43.69 N +ATOM 3255 NH2 ARG C 140 15.245 -41.941 39.462 1.00 42.11 N +ATOM 3256 N TYR C 141 21.166 -41.472 39.166 1.00 28.86 N +ATOM 3257 CA TYR C 141 21.206 -42.784 38.576 1.00 30.54 C +ATOM 3258 C TYR C 141 19.827 -43.127 37.988 1.00 31.18 C +ATOM 3259 O TYR C 141 18.799 -42.848 38.611 1.00 31.69 O +ATOM 3260 CB TYR C 141 21.568 -43.817 39.635 1.00 30.87 C +ATOM 3261 CG TYR C 141 21.651 -45.228 39.110 1.00 33.81 C +ATOM 3262 CD1 TYR C 141 20.767 -46.216 39.543 1.00 38.17 C +ATOM 3263 CD2 TYR C 141 22.638 -45.584 38.200 1.00 35.61 C +ATOM 3264 CE1 TYR C 141 20.860 -47.535 39.070 1.00 39.30 C +ATOM 3265 CE2 TYR C 141 22.739 -46.903 37.726 1.00 37.99 C +ATOM 3266 CZ TYR C 141 21.846 -47.858 38.142 1.00 38.94 C +ATOM 3267 OH TYR C 141 21.962 -49.151 37.660 1.00 43.42 O +ATOM 3268 N ARG C 142 19.831 -43.741 36.800 1.00 31.86 N +ATOM 3269 CA ARG C 142 18.626 -44.226 36.148 1.00 32.97 C +ATOM 3270 C ARG C 142 18.799 -45.670 35.701 1.00 33.16 C +ATOM 3271 O ARG C 142 19.711 -46.001 34.958 1.00 32.59 O +ATOM 3272 CB ARG C 142 18.350 -43.356 34.948 1.00 34.98 C +ATOM 3273 CG ARG C 142 18.109 -41.913 35.310 1.00 37.71 C +ATOM 3274 CD ARG C 142 16.775 -41.824 35.979 1.00 43.10 C +ATOM 3275 NE ARG C 142 15.767 -42.275 35.035 1.00 43.68 N +ATOM 3276 CZ ARG C 142 15.172 -41.478 34.160 1.00 47.10 C +ATOM 3277 NH1 ARG C 142 15.455 -40.175 34.135 1.00 47.12 N +ATOM 3278 NH2 ARG C 142 14.271 -41.986 33.317 1.00 49.52 N +ATOM 3279 N ALA C 143 17.959 -46.559 36.211 1.00 32.49 N +ATOM 3280 CA ALA C 143 18.032 -47.948 35.793 1.00 33.39 C +ATOM 3281 C ALA C 143 16.878 -48.282 34.852 1.00 33.72 C +ATOM 3282 O ALA C 143 15.844 -47.609 34.859 1.00 33.86 O +ATOM 3283 CB ALA C 143 18.034 -48.885 37.022 1.00 32.03 C +ATOM 3284 N GLY C 144 17.085 -49.325 34.036 1.00 33.94 N +ATOM 3285 CA GLY C 144 16.019 -49.932 33.251 1.00 34.24 C +ATOM 3286 C GLY C 144 15.524 -49.107 32.076 1.00 34.43 C +ATOM 3287 O GLY C 144 14.329 -49.123 31.782 1.00 34.42 O +ATOM 3288 N LEU C 145 16.446 -48.448 31.378 1.00 34.74 N +ATOM 3289 CA LEU C 145 16.086 -47.539 30.265 1.00 35.45 C +ATOM 3290 C LEU C 145 15.831 -48.341 28.989 1.00 35.61 C +ATOM 3291 O LEU C 145 16.356 -49.432 28.830 1.00 32.92 O +ATOM 3292 CB LEU C 145 17.165 -46.472 30.030 1.00 36.24 C +ATOM 3293 CG LEU C 145 17.469 -45.500 31.180 1.00 36.76 C +ATOM 3294 CD1 LEU C 145 18.656 -44.539 30.873 1.00 39.01 C +ATOM 3295 CD2 LEU C 145 16.220 -44.722 31.544 1.00 38.51 C +ATOM 3296 N ALA C 146 15.049 -47.773 28.068 1.00 36.57 N +ATOM 3297 CA ALA C 146 14.657 -48.503 26.849 1.00 37.32 C +ATOM 3298 C ALA C 146 15.767 -48.428 25.758 1.00 36.30 C +ATOM 3299 O ALA C 146 15.817 -49.274 24.835 1.00 37.84 O +ATOM 3300 CB ALA C 146 13.332 -47.994 26.317 1.00 38.10 C +ATOM 3301 N ALA C 147 16.680 -47.497 25.914 1.00 35.93 N +ATOM 3302 CA ALA C 147 17.789 -47.355 24.969 1.00 33.85 C +ATOM 3303 C ALA C 147 18.762 -48.555 25.043 1.00 32.84 C +ATOM 3304 O ALA C 147 18.723 -49.356 25.990 1.00 32.38 O +ATOM 3305 CB ALA C 147 18.506 -46.080 25.191 1.00 34.74 C +ATOM 3306 N SER C 148 19.620 -48.682 24.018 1.00 31.15 N +ATOM 3307 CA SER C 148 20.585 -49.764 23.926 1.00 30.31 C +ATOM 3308 C SER C 148 21.917 -49.266 23.387 1.00 28.68 C +ATOM 3309 O SER C 148 21.951 -48.319 22.648 1.00 27.43 O +ATOM 3310 CB SER C 148 20.069 -50.890 23.030 1.00 30.13 C +ATOM 3311 OG SER C 148 20.963 -52.011 22.998 1.00 30.39 O +ATOM 3312 N LEU C 149 23.001 -49.914 23.808 1.00 27.20 N +ATOM 3313 CA LEU C 149 24.347 -49.679 23.265 1.00 28.10 C +ATOM 3314 C LEU C 149 24.696 -50.698 22.161 1.00 29.71 C +ATOM 3315 O LEU C 149 25.754 -50.627 21.553 1.00 32.34 O +ATOM 3316 CB LEU C 149 25.347 -49.799 24.404 1.00 26.50 C +ATOM 3317 CG LEU C 149 25.216 -48.927 25.642 1.00 26.69 C +ATOM 3318 CD1 LEU C 149 26.357 -49.212 26.601 1.00 27.54 C +ATOM 3319 CD2 LEU C 149 25.224 -47.424 25.173 1.00 25.15 C +ATOM 3320 N ALA C 150 23.831 -51.680 21.983 1.00 30.99 N +ATOM 3321 CA ALA C 150 24.024 -52.740 21.008 1.00 31.33 C +ATOM 3322 C ALA C 150 22.927 -52.729 19.953 1.00 32.28 C +ATOM 3323 O ALA C 150 21.826 -52.196 20.142 1.00 32.44 O +ATOM 3324 CB ALA C 150 24.045 -54.068 21.703 1.00 32.00 C +ATOM 3325 N GLY C 151 23.235 -53.352 18.828 1.00 32.25 N +ATOM 3326 CA GLY C 151 22.223 -53.677 17.844 1.00 33.24 C +ATOM 3327 C GLY C 151 21.914 -52.538 16.910 1.00 33.08 C +ATOM 3328 O GLY C 151 22.579 -51.486 16.954 1.00 35.09 O +ATOM 3329 N PRO C 152 20.876 -52.722 16.083 1.00 33.04 N +ATOM 3330 CA PRO C 152 20.663 -51.738 15.034 1.00 32.83 C +ATOM 3331 C PRO C 152 20.206 -50.409 15.583 1.00 31.41 C +ATOM 3332 O PRO C 152 20.423 -49.387 14.935 1.00 32.87 O +ATOM 3333 CB PRO C 152 19.581 -52.382 14.154 1.00 33.52 C +ATOM 3334 CG PRO C 152 18.823 -53.305 15.070 1.00 33.50 C +ATOM 3335 CD PRO C 152 19.894 -53.821 16.029 1.00 34.50 C +ATOM 3336 N HIS C 153 19.627 -50.376 16.782 1.00 29.90 N +ATOM 3337 CA HIS C 153 19.166 -49.098 17.337 1.00 29.79 C +ATOM 3338 C HIS C 153 20.080 -48.526 18.402 1.00 28.02 C +ATOM 3339 O HIS C 153 19.638 -47.754 19.276 1.00 28.07 O +ATOM 3340 CB HIS C 153 17.757 -49.250 17.861 1.00 30.14 C +ATOM 3341 CG HIS C 153 16.830 -49.772 16.814 1.00 34.53 C +ATOM 3342 ND1 HIS C 153 15.731 -50.544 17.107 1.00 41.04 N +ATOM 3343 CD2 HIS C 153 16.892 -49.689 15.465 1.00 37.15 C +ATOM 3344 CE1 HIS C 153 15.145 -50.910 15.980 1.00 41.01 C +ATOM 3345 NE2 HIS C 153 15.815 -50.380 14.972 1.00 40.01 N +ATOM 3346 N SER C 154 21.368 -48.849 18.301 1.00 27.81 N +ATOM 3347 CA SER C 154 22.346 -48.397 19.290 1.00 26.66 C +ATOM 3348 C SER C 154 22.422 -46.871 19.345 1.00 26.70 C +ATOM 3349 O SER C 154 22.372 -46.193 18.281 1.00 28.00 O +ATOM 3350 CB SER C 154 23.749 -48.936 18.950 1.00 27.38 C +ATOM 3351 OG SER C 154 24.695 -48.437 19.898 1.00 25.59 O +ATOM 3352 N ILE C 155 22.587 -46.334 20.557 1.00 25.55 N +ATOM 3353 CA ILE C 155 22.835 -44.877 20.745 1.00 26.16 C +ATOM 3354 C ILE C 155 24.345 -44.539 20.706 1.00 26.11 C +ATOM 3355 O ILE C 155 24.715 -43.379 20.824 1.00 27.25 O +ATOM 3356 CB ILE C 155 22.217 -44.302 22.014 1.00 27.15 C +ATOM 3357 CG1 ILE C 155 22.809 -44.939 23.298 1.00 26.53 C +ATOM 3358 CG2 ILE C 155 20.652 -44.452 21.991 1.00 28.44 C +ATOM 3359 CD1 ILE C 155 22.438 -44.206 24.648 1.00 29.78 C +ATOM 3360 N VAL C 156 25.185 -45.537 20.547 1.00 26.22 N +ATOM 3361 CA VAL C 156 26.626 -45.267 20.394 1.00 26.96 C +ATOM 3362 C VAL C 156 26.843 -44.387 19.128 1.00 25.95 C +ATOM 3363 O VAL C 156 26.306 -44.631 18.026 1.00 27.00 O +ATOM 3364 CB VAL C 156 27.453 -46.563 20.358 1.00 26.58 C +ATOM 3365 CG1 VAL C 156 28.950 -46.249 20.069 1.00 26.82 C +ATOM 3366 CG2 VAL C 156 27.316 -47.303 21.679 1.00 28.31 C +ATOM 3367 N GLY C 157 27.597 -43.320 19.300 1.00 26.67 N +ATOM 3368 CA GLY C 157 27.885 -42.428 18.167 1.00 27.14 C +ATOM 3369 C GLY C 157 26.831 -41.357 18.014 1.00 26.15 C +ATOM 3370 O GLY C 157 26.916 -40.520 17.114 1.00 26.85 O +ATOM 3371 N ARG C 158 25.766 -41.424 18.815 1.00 25.43 N +ATOM 3372 CA ARG C 158 24.725 -40.405 18.826 1.00 26.51 C +ATOM 3373 C ARG C 158 24.964 -39.362 19.904 1.00 28.45 C +ATOM 3374 O ARG C 158 26.006 -39.352 20.567 1.00 27.61 O +ATOM 3375 CB ARG C 158 23.328 -41.046 18.856 1.00 27.10 C +ATOM 3376 CG ARG C 158 23.243 -42.147 17.805 1.00 28.91 C +ATOM 3377 CD ARG C 158 21.847 -42.637 17.497 1.00 26.41 C +ATOM 3378 NE ARG C 158 21.910 -43.663 16.466 1.00 26.24 N +ATOM 3379 CZ ARG C 158 21.777 -43.477 15.151 1.00 26.96 C +ATOM 3380 NH1 ARG C 158 21.674 -42.274 14.606 1.00 27.31 N +ATOM 3381 NH2 ARG C 158 21.860 -44.529 14.355 1.00 27.09 N +ATOM 3382 N ALA C 159 24.054 -38.423 20.078 1.00 27.65 N +ATOM 3383 CA ALA C 159 24.302 -37.300 20.988 1.00 27.06 C +ATOM 3384 C ALA C 159 23.422 -37.309 22.205 1.00 27.89 C +ATOM 3385 O ALA C 159 22.239 -37.546 22.064 1.00 29.76 O +ATOM 3386 CB ALA C 159 24.097 -35.951 20.272 1.00 25.94 C +ATOM 3387 N VAL C 160 23.938 -37.003 23.377 1.00 26.56 N +ATOM 3388 CA VAL C 160 23.111 -36.689 24.525 1.00 25.89 C +ATOM 3389 C VAL C 160 23.114 -35.149 24.567 1.00 27.08 C +ATOM 3390 O VAL C 160 24.153 -34.499 24.418 1.00 27.54 O +ATOM 3391 CB VAL C 160 23.712 -37.227 25.795 1.00 26.37 C +ATOM 3392 CG1 VAL C 160 22.993 -36.741 27.040 1.00 29.86 C +ATOM 3393 CG2 VAL C 160 23.718 -38.799 25.745 1.00 26.77 C +ATOM 3394 N VAL C 161 21.898 -34.617 24.671 1.00 26.06 N +ATOM 3395 CA VAL C 161 21.638 -33.175 24.714 1.00 26.37 C +ATOM 3396 C VAL C 161 20.906 -32.820 26.001 1.00 26.48 C +ATOM 3397 O VAL C 161 19.873 -33.399 26.312 1.00 26.94 O +ATOM 3398 CB VAL C 161 20.886 -32.640 23.475 1.00 27.85 C +ATOM 3399 CG1 VAL C 161 20.655 -31.108 23.594 1.00 27.16 C +ATOM 3400 CG2 VAL C 161 21.695 -32.959 22.158 1.00 27.27 C +ATOM 3401 N VAL C 162 21.439 -31.812 26.717 1.00 25.57 N +ATOM 3402 CA VAL C 162 20.923 -31.275 27.938 1.00 25.84 C +ATOM 3403 C VAL C 162 20.317 -29.934 27.596 1.00 26.43 C +ATOM 3404 O VAL C 162 20.937 -29.088 26.914 1.00 25.62 O +ATOM 3405 CB VAL C 162 22.064 -31.031 28.977 1.00 27.51 C +ATOM 3406 CG1 VAL C 162 21.571 -30.430 30.270 1.00 28.58 C +ATOM 3407 CG2 VAL C 162 22.821 -32.367 29.219 1.00 27.96 C +ATOM 3408 N HIS C 163 19.076 -29.755 28.071 1.00 26.98 N +ATOM 3409 CA HIS C 163 18.280 -28.592 27.707 1.00 25.96 C +ATOM 3410 C HIS C 163 18.142 -27.572 28.868 1.00 26.41 C +ATOM 3411 O HIS C 163 18.328 -27.896 30.041 1.00 28.19 O +ATOM 3412 CB HIS C 163 16.858 -29.038 27.279 1.00 27.13 C +ATOM 3413 CG HIS C 163 16.796 -29.684 25.947 1.00 25.27 C +ATOM 3414 ND1 HIS C 163 16.521 -28.994 24.781 1.00 24.59 N +ATOM 3415 CD2 HIS C 163 17.048 -30.963 25.556 1.00 25.74 C +ATOM 3416 CE1 HIS C 163 16.512 -29.827 23.761 1.00 27.16 C +ATOM 3417 NE2 HIS C 163 16.831 -31.034 24.198 1.00 26.14 N +ATOM 3418 N ALA C 164 17.723 -26.336 28.539 1.00 26.03 N +ATOM 3419 CA ALA C 164 17.535 -25.274 29.490 1.00 26.06 C +ATOM 3420 C ALA C 164 16.203 -25.397 30.194 1.00 26.21 C +ATOM 3421 O ALA C 164 15.981 -24.797 31.246 1.00 27.49 O +ATOM 3422 CB ALA C 164 17.547 -23.913 28.743 1.00 26.21 C +ATOM 3423 N GLY C 165 15.259 -26.062 29.545 1.00 26.93 N +ATOM 3424 CA GLY C 165 13.942 -26.166 30.147 1.00 27.77 C +ATOM 3425 C GLY C 165 13.498 -27.581 30.459 1.00 27.25 C +ATOM 3426 O GLY C 165 14.302 -28.559 30.428 1.00 29.48 O +ATOM 3427 N GLU C 166 12.194 -27.645 30.767 1.00 28.08 N +ATOM 3428 CA GLU C 166 11.535 -28.860 31.170 1.00 28.15 C +ATOM 3429 C GLU C 166 10.818 -29.451 29.943 1.00 27.72 C +ATOM 3430 O GLU C 166 10.177 -28.749 29.179 1.00 27.92 O +ATOM 3431 CB GLU C 166 10.508 -28.537 32.252 1.00 28.08 C +ATOM 3432 CG GLU C 166 9.865 -29.762 32.917 1.00 32.38 C +ATOM 3433 CD GLU C 166 9.250 -29.419 34.297 0.50 32.14 C +ATOM 3434 OE1 GLU C 166 8.943 -28.240 34.548 0.50 29.05 O +ATOM 3435 OE2 GLU C 166 9.108 -30.326 35.141 0.50 33.13 O +ATOM 3436 N ASP C 167 10.829 -30.765 29.877 1.00 26.07 N +ATOM 3437 CA ASP C 167 10.164 -31.546 28.832 1.00 25.61 C +ATOM 3438 C ASP C 167 8.690 -31.652 29.180 1.00 25.95 C +ATOM 3439 O ASP C 167 8.349 -32.032 30.322 1.00 26.34 O +ATOM 3440 CB ASP C 167 10.779 -32.955 28.873 1.00 25.59 C +ATOM 3441 CG ASP C 167 10.474 -33.798 27.622 1.00 27.56 C +ATOM 3442 OD1 ASP C 167 9.316 -33.795 27.171 1.00 26.19 O +ATOM 3443 OD2 ASP C 167 11.391 -34.494 27.099 1.00 27.96 O +ATOM 3444 N ASP C 168 7.805 -31.307 28.223 1.00 25.79 N +ATOM 3445 CA ASP C 168 6.368 -31.377 28.454 1.00 25.16 C +ATOM 3446 C ASP C 168 5.762 -32.775 28.302 1.00 24.42 C +ATOM 3447 O ASP C 168 4.557 -32.977 28.512 1.00 23.63 O +ATOM 3448 CB ASP C 168 5.595 -30.306 27.671 1.00 25.49 C +ATOM 3449 CG ASP C 168 5.494 -30.574 26.210 1.00 25.75 C +ATOM 3450 OD1 ASP C 168 5.639 -31.740 25.749 1.00 25.41 O +ATOM 3451 OD2 ASP C 168 5.214 -29.576 25.513 1.00 27.04 O +ATOM 3452 N LEU C 169 6.616 -33.711 27.928 1.00 23.86 N +ATOM 3453 CA LEU C 169 6.286 -35.137 27.852 1.00 25.61 C +ATOM 3454 C LEU C 169 5.103 -35.373 26.901 1.00 25.19 C +ATOM 3455 O LEU C 169 4.332 -36.333 27.073 1.00 26.47 O +ATOM 3456 CB LEU C 169 6.029 -35.721 29.259 1.00 26.30 C +ATOM 3457 CG LEU C 169 7.151 -35.558 30.295 1.00 27.97 C +ATOM 3458 CD1 LEU C 169 6.741 -36.244 31.605 1.00 34.02 C +ATOM 3459 CD2 LEU C 169 8.433 -36.132 29.725 1.00 30.81 C +ATOM 3460 N GLY C 170 5.046 -34.558 25.837 1.00 24.71 N +ATOM 3461 CA GLY C 170 3.980 -34.713 24.823 1.00 25.07 C +ATOM 3462 C GLY C 170 2.631 -34.181 25.180 1.00 25.21 C +ATOM 3463 O GLY C 170 1.660 -34.391 24.441 1.00 24.40 O +ATOM 3464 N ARG C 171 2.574 -33.474 26.299 1.00 25.36 N +ATOM 3465 CA ARG C 171 1.340 -32.922 26.836 1.00 26.80 C +ATOM 3466 C ARG C 171 1.252 -31.399 26.707 1.00 26.39 C +ATOM 3467 O ARG C 171 0.499 -30.773 27.445 1.00 28.14 O +ATOM 3468 CB ARG C 171 1.168 -33.330 28.314 1.00 27.86 C +ATOM 3469 CG ARG C 171 1.378 -34.821 28.639 1.00 31.57 C +ATOM 3470 CD ARG C 171 0.291 -35.698 28.204 1.00 33.23 C +ATOM 3471 NE ARG C 171 -1.005 -35.274 28.731 1.00 37.24 N +ATOM 3472 CZ ARG C 171 -2.148 -35.935 28.533 1.00 39.32 C +ATOM 3473 NH1 ARG C 171 -2.155 -37.074 27.844 1.00 39.17 N +ATOM 3474 NH2 ARG C 171 -3.288 -35.460 29.030 1.00 40.64 N +ATOM 3475 N GLY C 172 1.971 -30.833 25.734 1.00 26.65 N +ATOM 3476 CA GLY C 172 2.031 -29.375 25.549 1.00 27.15 C +ATOM 3477 C GLY C 172 0.974 -28.813 24.627 1.00 27.36 C +ATOM 3478 O GLY C 172 0.767 -27.598 24.585 1.00 26.53 O +ATOM 3479 N GLY C 173 0.260 -29.684 23.900 1.00 26.65 N +ATOM 3480 CA GLY C 173 -0.846 -29.197 23.098 1.00 27.55 C +ATOM 3481 C GLY C 173 -0.480 -28.646 21.723 1.00 28.33 C +ATOM 3482 O GLY C 173 -1.337 -28.037 21.079 1.00 30.20 O +ATOM 3483 N ASN C 174 0.740 -28.892 21.248 1.00 28.82 N +ATOM 3484 CA ASN C 174 1.147 -28.538 19.888 1.00 29.56 C +ATOM 3485 C ASN C 174 1.965 -29.643 19.220 1.00 30.27 C +ATOM 3486 O ASN C 174 2.321 -30.615 19.879 1.00 30.12 O +ATOM 3487 CB ASN C 174 1.916 -27.222 19.865 1.00 29.54 C +ATOM 3488 CG ASN C 174 3.094 -27.198 20.841 1.00 31.03 C +ATOM 3489 OD1 ASN C 174 3.803 -28.190 21.009 1.00 27.68 O +ATOM 3490 ND2 ASN C 174 3.303 -26.042 21.479 1.00 35.59 N +ATOM 3491 N GLN C 175 2.261 -29.498 17.924 1.00 31.69 N +ATOM 3492 CA GLN C 175 3.029 -30.541 17.188 1.00 32.86 C +ATOM 3493 C GLN C 175 4.429 -30.767 17.777 1.00 33.16 C +ATOM 3494 O GLN C 175 4.881 -31.914 17.908 1.00 33.45 O +ATOM 3495 CB GLN C 175 3.086 -30.234 15.673 1.00 33.38 C +ATOM 3496 CG GLN C 175 3.863 -31.290 14.816 0.50 33.22 C +ATOM 3497 CD GLN C 175 3.310 -32.713 14.955 0.50 31.50 C +ATOM 3498 OE1 GLN C 175 2.103 -32.922 15.015 0.50 34.95 O +ATOM 3499 NE2 GLN C 175 4.196 -33.688 15.018 0.50 31.04 N +ATOM 3500 N ALA C 176 5.118 -29.693 18.152 1.00 31.90 N +ATOM 3501 CA ALA C 176 6.442 -29.798 18.759 1.00 31.74 C +ATOM 3502 C ALA C 176 6.424 -30.698 19.992 1.00 30.63 C +ATOM 3503 O ALA C 176 7.356 -31.463 20.247 1.00 29.11 O +ATOM 3504 CB ALA C 176 6.998 -28.394 19.104 1.00 31.60 C +ATOM 3505 N SER C 177 5.355 -30.613 20.760 1.00 28.77 N +ATOM 3506 CA SER C 177 5.264 -31.373 21.986 1.00 28.50 C +ATOM 3507 C SER C 177 5.460 -32.861 21.741 1.00 27.51 C +ATOM 3508 O SER C 177 6.155 -33.486 22.514 1.00 28.30 O +ATOM 3509 CB SER C 177 3.922 -31.121 22.702 1.00 29.31 C +ATOM 3510 OG SER C 177 3.895 -31.800 23.948 1.00 27.27 O +ATOM 3511 N VAL C 178 4.890 -33.418 20.673 1.00 27.99 N +ATOM 3512 CA VAL C 178 4.957 -34.863 20.398 1.00 28.98 C +ATOM 3513 C VAL C 178 6.117 -35.235 19.464 1.00 30.15 C +ATOM 3514 O VAL C 178 6.264 -36.406 19.031 1.00 30.03 O +ATOM 3515 CB VAL C 178 3.613 -35.381 19.828 1.00 30.37 C +ATOM 3516 CG1 VAL C 178 2.552 -35.280 20.849 1.00 28.47 C +ATOM 3517 CG2 VAL C 178 3.228 -34.625 18.527 1.00 30.72 C +ATOM 3518 N GLU C 179 6.917 -34.221 19.157 1.00 30.59 N +ATOM 3519 CA GLU C 179 8.208 -34.411 18.483 1.00 31.03 C +ATOM 3520 C GLU C 179 9.367 -34.300 19.429 1.00 31.47 C +ATOM 3521 O GLU C 179 10.298 -35.101 19.331 1.00 31.18 O +ATOM 3522 CB GLU C 179 8.389 -33.426 17.350 1.00 31.71 C +ATOM 3523 CG GLU C 179 7.475 -33.711 16.198 1.00 35.63 C +ATOM 3524 CD GLU C 179 7.452 -32.617 15.134 1.00 43.04 C +ATOM 3525 OE1 GLU C 179 8.017 -31.510 15.355 1.00 47.59 O +ATOM 3526 OE2 GLU C 179 6.816 -32.866 14.077 1.00 45.89 O +ATOM 3527 N ASN C 180 9.346 -33.298 20.323 1.00 30.21 N +ATOM 3528 CA ASN C 180 10.452 -33.101 21.227 1.00 31.32 C +ATOM 3529 C ASN C 180 10.241 -32.567 22.601 1.00 30.62 C +ATOM 3530 O ASN C 180 11.210 -32.350 23.302 1.00 29.52 O +ATOM 3531 CB ASN C 180 11.394 -32.151 20.569 1.00 32.39 C +ATOM 3532 CG ASN C 180 10.725 -30.791 20.209 1.00 32.14 C +ATOM 3533 OD1 ASN C 180 10.322 -30.002 21.087 1.00 31.65 O +ATOM 3534 ND2 ASN C 180 10.637 -30.523 18.903 1.00 35.10 N +ATOM 3535 N GLY C 181 9.001 -32.292 22.978 1.00 27.69 N +ATOM 3536 CA GLY C 181 8.670 -31.956 24.335 1.00 27.39 C +ATOM 3537 C GLY C 181 8.829 -30.506 24.719 1.00 26.83 C +ATOM 3538 O GLY C 181 8.637 -30.186 25.859 1.00 25.97 O +ATOM 3539 N ASN C 182 9.148 -29.630 23.756 1.00 27.06 N +ATOM 3540 CA ASN C 182 9.262 -28.193 24.053 1.00 28.08 C +ATOM 3541 C ASN C 182 10.175 -27.925 25.258 1.00 28.03 C +ATOM 3542 O ASN C 182 9.828 -27.130 26.165 1.00 27.82 O +ATOM 3543 CB ASN C 182 7.907 -27.580 24.296 1.00 27.64 C +ATOM 3544 CG ASN C 182 7.033 -27.580 23.058 1.00 31.05 C +ATOM 3545 OD1 ASN C 182 7.431 -27.069 21.990 1.00 32.37 O +ATOM 3546 ND2 ASN C 182 5.843 -28.183 23.170 1.00 30.11 N +ATOM 3547 N ALA C 183 11.339 -28.589 25.262 1.00 28.29 N +ATOM 3548 CA ALA C 183 12.252 -28.492 26.417 1.00 28.39 C +ATOM 3549 C ALA C 183 13.228 -27.297 26.313 1.00 28.67 C +ATOM 3550 O ALA C 183 14.148 -27.164 27.114 1.00 27.81 O +ATOM 3551 CB ALA C 183 13.030 -29.745 26.588 1.00 30.48 C +ATOM 3552 N GLY C 184 13.003 -26.431 25.347 1.00 28.25 N +ATOM 3553 CA GLY C 184 13.808 -25.219 25.263 1.00 27.80 C +ATOM 3554 C GLY C 184 15.157 -25.443 24.628 1.00 27.23 C +ATOM 3555 O GLY C 184 15.440 -26.432 23.912 1.00 27.44 O +ATOM 3556 N ARG C 185 16.018 -24.482 24.885 1.00 26.95 N +ATOM 3557 CA ARG C 185 17.331 -24.427 24.244 0.50 26.56 C +ATOM 3558 C ARG C 185 18.245 -25.572 24.623 1.00 27.21 C +ATOM 3559 O ARG C 185 18.206 -26.089 25.746 1.00 27.33 O +ATOM 3560 CB ARG C 185 18.005 -23.097 24.586 0.50 26.63 C +ATOM 3561 CG ARG C 185 17.293 -21.938 23.966 0.50 25.05 C +ATOM 3562 CD ARG C 185 17.946 -20.620 24.128 0.50 25.26 C +ATOM 3563 NE ARG C 185 17.098 -19.674 23.408 0.50 25.41 N +ATOM 3564 CZ ARG C 185 16.109 -18.935 23.936 0.50 23.35 C +ATOM 3565 NH1 ARG C 185 15.850 -18.891 25.251 0.50 23.59 N +ATOM 3566 NH2 ARG C 185 15.397 -18.159 23.122 0.50 26.58 N +ATOM 3567 N ARG C 186 19.095 -25.922 23.682 1.00 26.57 N +ATOM 3568 CA ARG C 186 20.075 -26.996 23.826 1.00 26.82 C +ATOM 3569 C ARG C 186 21.334 -26.363 24.430 1.00 27.35 C +ATOM 3570 O ARG C 186 22.005 -25.552 23.760 1.00 30.75 O +ATOM 3571 CB ARG C 186 20.384 -27.559 22.440 1.00 28.31 C +ATOM 3572 CG ARG C 186 19.194 -28.154 21.749 1.00 27.90 C +ATOM 3573 CD ARG C 186 19.564 -28.740 20.433 1.00 30.64 C +ATOM 3574 NE ARG C 186 18.385 -29.151 19.680 1.00 29.02 N +ATOM 3575 CZ ARG C 186 18.420 -29.920 18.587 1.00 31.10 C +ATOM 3576 NH1 ARG C 186 19.565 -30.370 18.093 1.00 29.11 N +ATOM 3577 NH2 ARG C 186 17.301 -30.272 17.983 1.00 30.52 N +ATOM 3578 N LEU C 187 21.618 -26.657 25.676 1.00 26.16 N +ATOM 3579 CA LEU C 187 22.766 -26.058 26.413 1.00 25.17 C +ATOM 3580 C LEU C 187 24.092 -26.783 26.285 1.00 25.93 C +ATOM 3581 O LEU C 187 25.132 -26.157 26.215 1.00 25.29 O +ATOM 3582 CB LEU C 187 22.391 -25.980 27.906 1.00 24.34 C +ATOM 3583 CG LEU C 187 21.362 -24.938 28.352 1.00 25.17 C +ATOM 3584 CD1 LEU C 187 21.132 -25.055 29.826 1.00 27.51 C +ATOM 3585 CD2 LEU C 187 21.856 -23.510 27.934 1.00 25.98 C +ATOM 3586 N ALA C 188 24.058 -28.129 26.293 1.00 25.35 N +ATOM 3587 CA ALA C 188 25.300 -28.905 26.404 1.00 24.72 C +ATOM 3588 C ALA C 188 25.035 -30.270 25.823 1.00 27.30 C +ATOM 3589 O ALA C 188 23.870 -30.726 25.754 1.00 25.80 O +ATOM 3590 CB ALA C 188 25.759 -28.993 27.864 1.00 26.17 C +ATOM 3591 N CYS C 189 26.084 -30.863 25.263 1.00 27.14 N +ATOM 3592 CA CYS C 189 25.920 -32.142 24.561 1.00 27.93 C +ATOM 3593 C CYS C 189 27.301 -32.829 24.459 1.00 28.07 C +ATOM 3594 O CYS C 189 28.349 -32.293 24.820 1.00 26.83 O +ATOM 3595 CB CYS C 189 25.340 -31.923 23.172 1.00 27.17 C +ATOM 3596 SG CYS C 189 26.282 -30.855 22.134 1.00 32.05 S +ATOM 3597 N CYS C 190 27.244 -34.032 23.940 1.00 27.92 N +ATOM 3598 CA CYS C 190 28.427 -34.880 23.763 1.00 27.97 C +ATOM 3599 C CYS C 190 28.027 -36.022 22.860 1.00 27.09 C +ATOM 3600 O CYS C 190 26.846 -36.294 22.718 1.00 27.58 O +ATOM 3601 CB CYS C 190 28.896 -35.388 25.084 1.00 28.18 C +ATOM 3602 SG CYS C 190 27.602 -36.162 26.087 1.00 29.80 S +ATOM 3603 N VAL C 191 29.032 -36.684 22.287 1.00 25.64 N +ATOM 3604 CA VAL C 191 28.820 -37.873 21.457 1.00 25.86 C +ATOM 3605 C VAL C 191 29.041 -39.103 22.380 1.00 26.25 C +ATOM 3606 O VAL C 191 30.023 -39.178 23.131 1.00 26.35 O +ATOM 3607 CB VAL C 191 29.840 -37.911 20.309 1.00 25.46 C +ATOM 3608 CG1 VAL C 191 29.683 -39.154 19.456 1.00 26.75 C +ATOM 3609 CG2 VAL C 191 29.718 -36.627 19.393 1.00 27.19 C +ATOM 3610 N VAL C 192 28.161 -40.075 22.284 1.00 25.69 N +ATOM 3611 CA VAL C 192 28.252 -41.264 23.110 1.00 25.00 C +ATOM 3612 C VAL C 192 29.373 -42.135 22.528 1.00 25.61 C +ATOM 3613 O VAL C 192 29.306 -42.561 21.378 1.00 24.71 O +ATOM 3614 CB VAL C 192 26.918 -42.023 23.116 1.00 26.03 C +ATOM 3615 CG1 VAL C 192 27.059 -43.365 23.924 1.00 25.03 C +ATOM 3616 CG2 VAL C 192 25.745 -41.112 23.646 1.00 25.74 C +ATOM 3617 N GLY C 193 30.363 -42.420 23.380 1.00 24.97 N +ATOM 3618 CA GLY C 193 31.570 -43.195 23.035 1.00 24.51 C +ATOM 3619 C GLY C 193 31.627 -44.524 23.730 1.00 24.42 C +ATOM 3620 O GLY C 193 31.174 -44.646 24.873 1.00 24.83 O +ATOM 3621 N VAL C 194 32.188 -45.497 23.040 1.00 24.48 N +ATOM 3622 CA VAL C 194 32.523 -46.805 23.641 1.00 25.11 C +ATOM 3623 C VAL C 194 33.566 -46.583 24.732 1.00 25.39 C +ATOM 3624 O VAL C 194 34.562 -45.928 24.486 1.00 25.30 O +ATOM 3625 CB VAL C 194 33.093 -47.776 22.590 1.00 25.73 C +ATOM 3626 CG1 VAL C 194 33.443 -49.150 23.260 1.00 25.77 C +ATOM 3627 CG2 VAL C 194 32.095 -47.893 21.419 1.00 27.49 C +ATOM 3628 N CYS C 195 33.355 -47.116 25.918 1.00 26.00 N +ATOM 3629 CA CYS C 195 34.446 -47.069 26.930 1.00 26.47 C +ATOM 3630 C CYS C 195 34.622 -48.375 27.689 1.00 27.67 C +ATOM 3631 O CYS C 195 33.872 -49.341 27.480 1.00 27.62 O +ATOM 3632 CB CYS C 195 34.227 -45.878 27.884 1.00 26.86 C +ATOM 3633 SG CYS C 195 32.758 -46.098 28.931 1.00 30.11 S +ATOM 3634 N GLY C 196 35.709 -48.465 28.459 1.00 29.31 N +ATOM 3635 CA GLY C 196 35.941 -49.623 29.326 1.00 30.40 C +ATOM 3636 C GLY C 196 35.132 -49.550 30.630 1.00 31.69 C +ATOM 3637 O GLY C 196 34.462 -48.563 30.919 1.00 32.76 O +ATOM 3638 N PRO C 197 35.191 -50.604 31.434 1.00 33.84 N +ATOM 3639 CA PRO C 197 34.464 -50.648 32.726 1.00 34.92 C +ATOM 3640 C PRO C 197 34.866 -49.630 33.803 1.00 36.01 C +ATOM 3641 O PRO C 197 34.087 -49.396 34.750 1.00 37.63 O +ATOM 3642 CB PRO C 197 34.730 -52.072 33.223 1.00 34.18 C +ATOM 3643 CG PRO C 197 35.884 -52.539 32.440 1.00 33.84 C +ATOM 3644 CD PRO C 197 35.914 -51.858 31.154 1.00 33.93 C +ATOM 3645 N GLY C 198 36.042 -49.020 33.659 1.00 36.97 N +ATOM 3646 CA GLY C 198 36.609 -48.114 34.685 1.00 37.59 C +ATOM 3647 C GLY C 198 35.769 -46.950 35.219 1.00 38.39 C +ATOM 3648 O GLY C 198 35.664 -46.765 36.443 1.00 37.51 O +ATOM 3649 N LEU C 199 35.181 -46.152 34.320 1.00 38.59 N +ATOM 3650 CA LEU C 199 34.456 -44.940 34.722 1.00 39.51 C +ATOM 3651 C LEU C 199 33.218 -45.256 35.553 1.00 39.81 C +ATOM 3652 O LEU C 199 32.845 -44.520 36.465 1.00 39.89 O +ATOM 3653 CB LEU C 199 34.025 -44.145 33.476 1.00 39.50 C +ATOM 3654 CG LEU C 199 35.113 -43.436 32.666 1.00 41.77 C +ATOM 3655 CD1 LEU C 199 34.502 -42.730 31.432 1.00 39.42 C +ATOM 3656 CD2 LEU C 199 35.881 -42.428 33.506 1.00 42.26 C +ATOM 3657 N TRP C 200 32.560 -46.345 35.213 1.00 40.54 N +ATOM 3658 CA TRP C 200 31.285 -46.655 35.822 1.00 41.79 C +ATOM 3659 C TRP C 200 31.522 -47.004 37.292 1.00 43.52 C +ATOM 3660 O TRP C 200 30.668 -46.728 38.145 1.00 43.99 O +ATOM 3661 CB TRP C 200 30.607 -47.798 35.076 1.00 40.85 C +ATOM 3662 CG TRP C 200 29.302 -48.152 35.664 1.00 40.05 C +ATOM 3663 CD1 TRP C 200 29.069 -49.074 36.668 1.00 40.76 C +ATOM 3664 CD2 TRP C 200 28.030 -47.616 35.319 1.00 38.67 C +ATOM 3665 NE1 TRP C 200 27.717 -49.121 36.960 1.00 39.58 N +ATOM 3666 CE2 TRP C 200 27.063 -48.231 36.150 1.00 39.38 C +ATOM 3667 CE3 TRP C 200 27.603 -46.662 34.403 1.00 36.51 C +ATOM 3668 CZ2 TRP C 200 25.703 -47.931 36.062 1.00 37.90 C +ATOM 3669 CZ3 TRP C 200 26.248 -46.381 34.330 1.00 37.21 C +ATOM 3670 CH2 TRP C 200 25.324 -47.010 35.139 1.00 38.83 C +ATOM 3671 N GLU C 201 32.685 -47.594 37.577 1.00 46.39 N +ATOM 3672 CA GLU C 201 33.019 -48.034 38.957 1.00 47.33 C +ATOM 3673 C GLU C 201 33.403 -46.862 39.848 1.00 47.87 C +ATOM 3674 O GLU C 201 32.879 -46.742 40.964 1.00 49.27 O +ATOM 3675 CB GLU C 201 34.144 -49.083 38.996 1.00 48.03 C +ATOM 3676 CG GLU C 201 34.197 -50.099 37.837 1.00 49.65 C +ATOM 3677 CD GLU C 201 32.895 -50.875 37.597 1.00 53.05 C +ATOM 3678 OE1 GLU C 201 31.937 -50.770 38.401 1.00 51.87 O +ATOM 3679 OE2 GLU C 201 32.848 -51.620 36.587 1.00 56.95 O +ATOM 3680 N ARG C 202 34.319 -46.015 39.385 0.50 48.01 N +ATOM 3681 CA ARG C 202 34.706 -44.841 40.157 0.50 48.34 C +ATOM 3682 C ARG C 202 33.449 -43.982 40.261 0.50 48.44 C +ATOM 3683 O ARG C 202 33.149 -43.410 41.311 0.50 48.49 O +ATOM 3684 CB ARG C 202 35.864 -44.075 39.494 0.50 48.63 C +ATOM 3685 CG ARG C 202 36.924 -44.965 38.814 0.50 49.82 C +ATOM 3686 CD ARG C 202 38.355 -44.384 38.823 0.50 51.50 C +ATOM 3687 NE ARG C 202 38.566 -43.294 37.863 0.50 52.69 N +ATOM 3688 CZ ARG C 202 38.670 -43.445 36.540 0.50 53.70 C +ATOM 3689 NH1 ARG C 202 38.558 -44.647 35.974 0.50 53.40 N +ATOM 3690 NH2 ARG C 202 38.859 -42.375 35.767 0.50 53.49 N +ATOM 3691 N GLN C 203 32.711 -43.952 39.152 0.50 48.41 N +ATOM 3692 CA GLN C 203 31.379 -43.344 39.036 0.50 48.39 C +ATOM 3693 C GLN C 203 31.465 -41.929 38.487 0.50 48.37 C +ATOM 3694 O GLN C 203 30.856 -41.002 39.012 0.50 49.06 O +ATOM 3695 CB GLN C 203 30.598 -43.379 40.353 0.50 48.50 C +ATOM 3696 CG GLN C 203 29.087 -43.093 40.209 0.50 47.89 C +ATOM 3697 CD GLN C 203 28.278 -44.286 39.697 0.50 46.45 C +ATOM 3698 OE1 GLN C 203 27.333 -44.732 40.352 0.50 45.07 O +ATOM 3699 NE2 GLN C 203 28.644 -44.798 38.527 0.50 46.10 N +ATOM 3700 N ALA C 204 32.235 -41.771 37.423 0.50 48.55 N +ATOM 3701 CA ALA C 204 32.198 -40.543 36.625 0.50 48.34 C +ATOM 3702 C ALA C 204 33.576 -40.177 36.107 0.50 48.52 C +ATOM 3703 O ALA C 204 33.913 -38.998 36.007 0.50 48.39 O +ATOM 3704 CB ALA C 204 31.609 -39.393 37.433 0.50 48.14 C +TER 3705 ALA C 204 +ATOM 3706 N ASP D 37 22.883 -40.223 1.218 0.50 43.48 N +ATOM 3707 CA ASP D 37 22.941 -41.705 1.256 0.50 44.78 C +ATOM 3708 C ASP D 37 21.681 -42.486 0.789 0.50 45.23 C +ATOM 3709 O ASP D 37 20.671 -41.889 0.420 0.50 45.84 O +ATOM 3710 CB ASP D 37 23.333 -42.140 2.686 0.50 45.11 C +ATOM 3711 CG ASP D 37 22.502 -41.504 3.771 0.50 44.97 C +ATOM 3712 OD1 ASP D 37 22.590 -40.272 3.981 0.50 44.66 O +ATOM 3713 OD2 ASP D 37 21.814 -42.275 4.463 0.50 46.46 O +ATOM 3714 N ASP D 38 21.770 -43.823 0.749 1.00 45.58 N +ATOM 3715 CA ASP D 38 20.621 -44.671 1.236 1.00 46.65 C +ATOM 3716 C ASP D 38 21.067 -45.617 2.382 1.00 44.92 C +ATOM 3717 O ASP D 38 20.677 -45.406 3.536 1.00 45.52 O +ATOM 3718 CB ASP D 38 19.939 -45.480 0.138 1.00 47.81 C +ATOM 3719 CG ASP D 38 18.725 -46.334 0.668 1.00 51.87 C +ATOM 3720 OD1 ASP D 38 17.875 -45.780 1.411 1.00 58.05 O +ATOM 3721 OD2 ASP D 38 18.618 -47.545 0.330 1.00 54.10 O +ATOM 3722 N GLY D 39 21.830 -46.665 2.046 1.00 42.25 N +ATOM 3723 CA GLY D 39 22.609 -47.445 3.025 1.00 40.32 C +ATOM 3724 C GLY D 39 24.018 -46.848 3.145 1.00 37.43 C +ATOM 3725 O GLY D 39 24.976 -47.513 3.563 1.00 39.49 O +ATOM 3726 N THR D 40 24.158 -45.624 2.666 1.00 33.22 N +ATOM 3727 CA THR D 40 25.433 -44.911 2.734 1.00 29.43 C +ATOM 3728 C THR D 40 25.493 -44.460 4.171 1.00 28.89 C +ATOM 3729 O THR D 40 24.476 -44.019 4.734 1.00 27.66 O +ATOM 3730 CB THR D 40 25.453 -43.709 1.761 1.00 29.81 C +ATOM 3731 OG1 THR D 40 25.254 -44.162 0.409 1.00 28.30 O +ATOM 3732 CG2 THR D 40 26.719 -42.855 1.893 1.00 27.34 C +ATOM 3733 N LEU D 41 26.677 -44.562 4.749 1.00 25.75 N +ATOM 3734 CA LEU D 41 26.912 -44.129 6.111 1.00 27.77 C +ATOM 3735 C LEU D 41 27.856 -42.941 6.108 1.00 26.12 C +ATOM 3736 O LEU D 41 28.784 -42.874 5.286 1.00 25.11 O +ATOM 3737 CB LEU D 41 27.477 -45.273 6.938 1.00 28.13 C +ATOM 3738 CG LEU D 41 26.523 -46.463 7.188 1.00 33.68 C +ATOM 3739 CD1 LEU D 41 27.267 -47.481 8.002 1.00 37.40 C +ATOM 3740 CD2 LEU D 41 25.291 -46.022 7.983 1.00 37.15 C +ATOM 3741 N HIS D 42 27.579 -42.017 7.013 1.00 26.09 N +ATOM 3742 CA HIS D 42 28.417 -40.839 7.268 1.00 26.31 C +ATOM 3743 C HIS D 42 28.763 -40.754 8.764 1.00 26.65 C +ATOM 3744 O HIS D 42 27.924 -41.074 9.630 1.00 25.03 O +ATOM 3745 CB HIS D 42 27.711 -39.514 6.862 1.00 26.79 C +ATOM 3746 CG HIS D 42 27.358 -39.418 5.406 1.00 26.15 C +ATOM 3747 ND1 HIS D 42 26.192 -39.947 4.886 1.00 26.91 N +ATOM 3748 CD2 HIS D 42 28.016 -38.865 4.360 1.00 28.57 C +ATOM 3749 CE1 HIS D 42 26.165 -39.738 3.580 1.00 26.49 C +ATOM 3750 NE2 HIS D 42 27.250 -39.068 3.238 1.00 27.89 N +ATOM 3751 N ALA D 43 29.957 -40.243 9.075 1.00 25.92 N +ATOM 3752 CA ALA D 43 30.300 -39.961 10.462 1.00 25.10 C +ATOM 3753 C ALA D 43 31.165 -38.693 10.481 1.00 24.76 C +ATOM 3754 O ALA D 43 31.706 -38.266 9.445 1.00 25.43 O +ATOM 3755 CB ALA D 43 31.039 -41.120 11.155 1.00 26.46 C +ATOM 3756 N ALA D 44 31.254 -38.137 11.657 1.00 25.66 N +ATOM 3757 CA ALA D 44 31.968 -36.872 11.860 1.00 26.19 C +ATOM 3758 C ALA D 44 32.679 -36.897 13.202 1.00 27.33 C +ATOM 3759 O ALA D 44 32.232 -37.554 14.148 1.00 27.26 O +ATOM 3760 CB ALA D 44 31.000 -35.697 11.776 1.00 28.44 C +ATOM 3761 N CYS D 45 33.766 -36.112 13.305 1.00 26.79 N +ATOM 3762 CA CYS D 45 34.568 -36.141 14.512 1.00 27.03 C +ATOM 3763 C CYS D 45 35.119 -34.708 14.718 1.00 26.13 C +ATOM 3764 O CYS D 45 35.820 -34.209 13.852 1.00 26.84 O +ATOM 3765 CB CYS D 45 35.659 -37.235 14.397 1.00 27.75 C +ATOM 3766 SG CYS D 45 36.389 -37.879 15.970 1.00 30.95 S +ATOM 3767 N GLN D 46 34.663 -34.031 15.775 1.00 25.61 N +ATOM 3768 CA GLN D 46 35.016 -32.618 16.045 1.00 26.59 C +ATOM 3769 C GLN D 46 36.272 -32.562 16.897 1.00 25.33 C +ATOM 3770 O GLN D 46 36.245 -32.642 18.119 1.00 25.90 O +ATOM 3771 CB GLN D 46 33.897 -31.843 16.759 1.00 28.22 C +ATOM 3772 CG GLN D 46 32.742 -31.450 15.889 1.00 34.39 C +ATOM 3773 CD GLN D 46 33.083 -30.528 14.784 1.00 30.79 C +ATOM 3774 OE1 GLN D 46 32.766 -30.818 13.638 1.00 41.28 O +ATOM 3775 NE2 GLN D 46 33.754 -29.411 15.102 1.00 33.11 N +ATOM 3776 N VAL D 47 37.389 -32.494 16.190 1.00 24.49 N +ATOM 3777 CA VAL D 47 38.734 -32.527 16.833 1.00 24.41 C +ATOM 3778 C VAL D 47 38.923 -31.319 17.749 1.00 25.56 C +ATOM 3779 O VAL D 47 38.774 -30.159 17.317 1.00 27.45 O +ATOM 3780 CB VAL D 47 39.845 -32.648 15.789 1.00 25.11 C +ATOM 3781 CG1 VAL D 47 41.238 -32.539 16.445 1.00 26.51 C +ATOM 3782 CG2 VAL D 47 39.777 -34.006 15.009 1.00 24.84 C +ATOM 3783 N GLN D 48 39.199 -31.616 19.019 1.00 25.27 N +ATOM 3784 CA GLN D 48 39.437 -30.588 20.025 1.00 26.55 C +ATOM 3785 C GLN D 48 40.706 -30.881 20.837 1.00 25.49 C +ATOM 3786 O GLN D 48 41.037 -32.051 21.082 1.00 24.99 O +ATOM 3787 CB GLN D 48 38.242 -30.380 20.938 1.00 28.92 C +ATOM 3788 CG GLN D 48 37.039 -29.765 20.176 1.00 30.68 C +ATOM 3789 CD GLN D 48 37.248 -28.272 19.738 1.00 36.19 C +ATOM 3790 OE1 GLN D 48 37.565 -27.423 20.579 1.00 33.93 O +ATOM 3791 NE2 GLN D 48 37.068 -27.970 18.418 1.00 38.94 N +ATOM 3792 N PRO D 49 41.374 -29.823 21.283 1.00 24.41 N +ATOM 3793 CA PRO D 49 42.610 -30.048 22.082 1.00 26.27 C +ATOM 3794 C PRO D 49 42.393 -30.898 23.316 1.00 25.62 C +ATOM 3795 O PRO D 49 41.324 -30.804 23.997 1.00 25.73 O +ATOM 3796 CB PRO D 49 43.001 -28.647 22.469 1.00 25.59 C +ATOM 3797 CG PRO D 49 42.499 -27.838 21.310 1.00 25.45 C +ATOM 3798 CD PRO D 49 41.156 -28.391 21.073 1.00 25.69 C +ATOM 3799 N SER D 50 43.362 -31.742 23.639 1.00 25.12 N +ATOM 3800 CA SER D 50 43.237 -32.568 24.808 1.00 26.69 C +ATOM 3801 C SER D 50 43.141 -31.709 26.101 1.00 27.03 C +ATOM 3802 O SER D 50 43.900 -30.731 26.283 1.00 26.75 O +ATOM 3803 CB SER D 50 44.429 -33.512 24.899 1.00 26.38 C +ATOM 3804 OG SER D 50 44.388 -34.181 26.129 1.00 27.54 O +ATOM 3805 N ALA D 51 42.253 -32.096 27.011 1.00 28.00 N +ATOM 3806 CA ALA D 51 42.211 -31.483 28.355 1.00 30.00 C +ATOM 3807 C ALA D 51 43.547 -31.507 29.156 1.00 30.42 C +ATOM 3808 O ALA D 51 43.755 -30.735 30.104 1.00 33.40 O +ATOM 3809 CB ALA D 51 41.079 -32.155 29.159 1.00 30.99 C +ATOM 3810 N THR D 52 44.456 -32.402 28.796 1.00 30.55 N +ATOM 3811 CA THR D 52 45.701 -32.589 29.529 1.00 30.16 C +ATOM 3812 C THR D 52 46.906 -31.805 28.967 1.00 29.83 C +ATOM 3813 O THR D 52 48.012 -31.878 29.516 1.00 31.16 O +ATOM 3814 CB THR D 52 46.046 -34.107 29.592 1.00 31.30 C +ATOM 3815 OG1 THR D 52 46.330 -34.577 28.274 1.00 32.34 O +ATOM 3816 CG2 THR D 52 44.878 -34.885 30.158 1.00 31.32 C +ATOM 3817 N LEU D 53 46.716 -31.004 27.929 1.00 29.32 N +ATOM 3818 CA LEU D 53 47.849 -30.282 27.383 1.00 28.38 C +ATOM 3819 C LEU D 53 48.438 -29.256 28.338 1.00 28.72 C +ATOM 3820 O LEU D 53 47.686 -28.637 29.118 1.00 28.41 O +ATOM 3821 CB LEU D 53 47.439 -29.557 26.120 1.00 28.81 C +ATOM 3822 CG LEU D 53 46.908 -30.331 24.911 1.00 28.38 C +ATOM 3823 CD1 LEU D 53 46.487 -29.246 23.850 1.00 29.34 C +ATOM 3824 CD2 LEU D 53 47.911 -31.266 24.425 1.00 30.72 C +ATOM 3825 N ASP D 54 49.755 -29.035 28.222 1.00 28.31 N +ATOM 3826 CA ASP D 54 50.495 -27.945 28.828 0.60 29.18 C +ATOM 3827 C ASP D 54 50.404 -26.712 27.938 1.00 27.33 C +ATOM 3828 O ASP D 54 50.165 -26.845 26.731 1.00 25.58 O +ATOM 3829 CB ASP D 54 51.985 -28.329 28.955 0.60 30.87 C +ATOM 3830 CG ASP D 54 52.173 -29.634 29.688 0.60 36.48 C +ATOM 3831 OD1 ASP D 54 51.474 -29.819 30.727 0.60 42.79 O +ATOM 3832 OD2 ASP D 54 52.976 -30.483 29.214 0.60 41.43 O +ATOM 3833 N ALA D 55 50.652 -25.555 28.526 1.00 27.77 N +ATOM 3834 CA ALA D 55 50.642 -24.307 27.778 1.00 27.48 C +ATOM 3835 C ALA D 55 51.541 -24.306 26.537 1.00 26.98 C +ATOM 3836 O ALA D 55 51.186 -23.732 25.500 1.00 28.12 O +ATOM 3837 CB ALA D 55 50.973 -23.164 28.699 1.00 27.67 C +ATOM 3838 N ALA D 56 52.685 -24.981 26.598 1.00 26.11 N +ATOM 3839 CA ALA D 56 53.637 -24.986 25.468 1.00 26.50 C +ATOM 3840 C ALA D 56 53.188 -25.767 24.237 1.00 25.89 C +ATOM 3841 O ALA D 56 53.789 -25.644 23.158 1.00 27.09 O +ATOM 3842 CB ALA D 56 55.000 -25.532 25.912 1.00 25.24 C +ATOM 3843 N GLN D 57 52.195 -26.610 24.384 1.00 25.87 N +ATOM 3844 CA GLN D 57 51.764 -27.473 23.260 1.00 24.49 C +ATOM 3845 C GLN D 57 50.766 -26.778 22.331 1.00 25.30 C +ATOM 3846 O GLN D 57 49.956 -25.946 22.805 1.00 24.69 O +ATOM 3847 CB GLN D 57 51.116 -28.753 23.789 1.00 25.23 C +ATOM 3848 CG GLN D 57 52.095 -29.650 24.480 1.00 27.87 C +ATOM 3849 CD GLN D 57 51.422 -30.871 25.010 1.00 29.62 C +ATOM 3850 OE1 GLN D 57 50.886 -30.849 26.113 1.00 31.71 O +ATOM 3851 NE2 GLN D 57 51.476 -31.957 24.260 1.00 28.18 N +ATOM 3852 N PRO D 58 50.784 -27.106 21.038 1.00 25.55 N +ATOM 3853 CA PRO D 58 49.796 -26.491 20.171 1.00 25.27 C +ATOM 3854 C PRO D 58 48.386 -26.947 20.500 1.00 24.68 C +ATOM 3855 O PRO D 58 48.185 -28.096 20.960 1.00 26.23 O +ATOM 3856 CB PRO D 58 50.213 -26.940 18.767 1.00 27.04 C +ATOM 3857 CG PRO D 58 50.936 -28.241 18.996 1.00 26.77 C +ATOM 3858 CD PRO D 58 51.668 -28.036 20.289 1.00 26.22 C +ATOM 3859 N ARG D 59 47.431 -26.090 20.141 1.00 24.05 N +ATOM 3860 CA ARG D 59 46.009 -26.401 20.337 1.00 24.28 C +ATOM 3861 C ARG D 59 45.325 -26.581 18.981 1.00 24.37 C +ATOM 3862 O ARG D 59 45.079 -25.623 18.254 1.00 25.45 O +ATOM 3863 CB ARG D 59 45.389 -25.270 21.152 1.00 22.81 C +ATOM 3864 CG ARG D 59 46.064 -25.129 22.467 1.00 24.48 C +ATOM 3865 CD ARG D 59 45.345 -24.205 23.428 1.00 26.73 C +ATOM 3866 NE ARG D 59 44.174 -24.888 23.991 1.00 23.00 N +ATOM 3867 CZ ARG D 59 44.212 -25.768 25.002 1.00 26.02 C +ATOM 3868 NH1 ARG D 59 45.367 -26.089 25.602 1.00 24.85 N +ATOM 3869 NH2 ARG D 59 43.072 -26.312 25.407 1.00 27.13 N +ATOM 3870 N VAL D 60 45.126 -27.820 18.621 1.00 24.22 N +ATOM 3871 CA VAL D 60 44.684 -28.206 17.298 1.00 24.89 C +ATOM 3872 C VAL D 60 43.153 -28.451 17.309 1.00 25.48 C +ATOM 3873 O VAL D 60 42.642 -29.121 18.187 1.00 25.85 O +ATOM 3874 CB VAL D 60 45.391 -29.487 16.845 1.00 25.88 C +ATOM 3875 CG1 VAL D 60 44.861 -30.084 15.543 1.00 23.96 C +ATOM 3876 CG2 VAL D 60 46.921 -29.239 16.693 1.00 26.59 C +ATOM 3877 N THR D 61 42.508 -27.863 16.311 1.00 25.95 N +ATOM 3878 CA THR D 61 41.055 -27.954 16.194 1.00 26.61 C +ATOM 3879 C THR D 61 40.696 -28.327 14.775 1.00 25.76 C +ATOM 3880 O THR D 61 41.485 -28.185 13.865 1.00 26.65 O +ATOM 3881 CB THR D 61 40.375 -26.645 16.573 1.00 25.92 C +ATOM 3882 OG1 THR D 61 40.802 -25.558 15.716 1.00 28.38 O +ATOM 3883 CG2 THR D 61 40.629 -26.283 18.033 1.00 28.48 C +ATOM 3884 N GLY D 62 39.503 -28.868 14.570 1.00 26.06 N +ATOM 3885 CA GLY D 62 39.089 -29.173 13.239 1.00 26.59 C +ATOM 3886 C GLY D 62 38.021 -30.223 13.160 1.00 27.28 C +ATOM 3887 O GLY D 62 37.332 -30.522 14.138 1.00 26.92 O +ATOM 3888 N VAL D 63 37.934 -30.801 11.979 1.00 27.89 N +ATOM 3889 CA VAL D 63 36.937 -31.839 11.713 1.00 28.58 C +ATOM 3890 C VAL D 63 37.561 -32.952 10.922 1.00 28.03 C +ATOM 3891 O VAL D 63 38.427 -32.740 10.026 1.00 28.19 O +ATOM 3892 CB VAL D 63 35.709 -31.245 10.968 1.00 29.35 C +ATOM 3893 CG1 VAL D 63 36.082 -30.754 9.614 1.00 31.89 C +ATOM 3894 CG2 VAL D 63 34.530 -32.296 10.881 1.00 33.12 C +ATOM 3895 N VAL D 64 37.113 -34.153 11.231 1.00 27.26 N +ATOM 3896 CA VAL D 64 37.383 -35.311 10.400 1.00 26.02 C +ATOM 3897 C VAL D 64 35.999 -35.863 9.996 1.00 26.27 C +ATOM 3898 O VAL D 64 35.149 -36.065 10.903 1.00 26.77 O +ATOM 3899 CB VAL D 64 38.174 -36.420 11.074 1.00 26.74 C +ATOM 3900 CG1 VAL D 64 38.366 -37.609 10.017 1.00 26.51 C +ATOM 3901 CG2 VAL D 64 39.585 -35.925 11.596 1.00 26.81 C +ATOM 3902 N LEU D 65 35.789 -35.995 8.699 1.00 25.82 N +ATOM 3903 CA LEU D 65 34.528 -36.555 8.149 1.00 24.74 C +ATOM 3904 C LEU D 65 34.831 -37.925 7.558 1.00 25.73 C +ATOM 3905 O LEU D 65 35.877 -38.130 6.913 1.00 26.04 O +ATOM 3906 CB LEU D 65 33.886 -35.706 7.066 1.00 25.63 C +ATOM 3907 CG LEU D 65 33.612 -34.211 7.352 1.00 25.59 C +ATOM 3908 CD1 LEU D 65 33.100 -33.486 6.101 1.00 26.48 C +ATOM 3909 CD2 LEU D 65 32.694 -34.090 8.627 1.00 29.25 C +ATOM 3910 N PHE D 66 33.831 -38.808 7.639 1.00 25.07 N +ATOM 3911 CA PHE D 66 33.934 -40.165 7.060 1.00 25.10 C +ATOM 3912 C PHE D 66 32.678 -40.437 6.217 1.00 25.36 C +ATOM 3913 O PHE D 66 31.580 -40.029 6.601 1.00 25.72 O +ATOM 3914 CB PHE D 66 33.985 -41.200 8.165 1.00 25.25 C +ATOM 3915 CG PHE D 66 35.202 -41.115 9.057 1.00 26.88 C +ATOM 3916 CD1 PHE D 66 36.436 -41.452 8.578 1.00 27.34 C +ATOM 3917 CD2 PHE D 66 35.078 -40.743 10.372 1.00 29.10 C +ATOM 3918 CE1 PHE D 66 37.568 -41.375 9.397 1.00 29.09 C +ATOM 3919 CE2 PHE D 66 36.214 -40.671 11.210 1.00 28.82 C +ATOM 3920 CZ PHE D 66 37.430 -40.993 10.711 1.00 27.30 C +ATOM 3921 N ARG D 67 32.856 -41.204 5.141 1.00 25.26 N +ATOM 3922 CA ARG D 67 31.741 -41.585 4.282 1.00 25.32 C +ATOM 3923 C ARG D 67 32.025 -42.984 3.762 1.00 24.85 C +ATOM 3924 O ARG D 67 33.128 -43.267 3.313 1.00 26.60 O +ATOM 3925 CB ARG D 67 31.541 -40.586 3.154 1.00 25.24 C +ATOM 3926 CG ARG D 67 30.275 -40.865 2.286 1.00 24.25 C +ATOM 3927 CD ARG D 67 30.056 -39.766 1.316 1.00 24.36 C +ATOM 3928 NE ARG D 67 28.824 -39.869 0.564 1.00 25.84 N +ATOM 3929 CZ ARG D 67 28.742 -40.339 -0.674 1.00 25.19 C +ATOM 3930 NH1 ARG D 67 29.838 -40.796 -1.290 1.00 22.41 N +ATOM 3931 NH2 ARG D 67 27.589 -40.350 -1.319 1.00 23.42 N +ATOM 3932 N GLN D 68 31.013 -43.850 3.801 1.00 24.72 N +ATOM 3933 CA GLN D 68 31.186 -45.232 3.374 1.00 24.43 C +ATOM 3934 C GLN D 68 29.922 -45.635 2.622 1.00 24.87 C +ATOM 3935 O GLN D 68 28.800 -45.579 3.181 1.00 24.91 O +ATOM 3936 CB GLN D 68 31.394 -46.133 4.567 1.00 25.51 C +ATOM 3937 CG GLN D 68 31.742 -47.610 4.308 1.00 27.11 C +ATOM 3938 CD GLN D 68 31.903 -48.446 5.579 1.00 28.12 C +ATOM 3939 OE1 GLN D 68 31.492 -48.039 6.679 1.00 38.25 O +ATOM 3940 NE2 GLN D 68 32.494 -49.599 5.452 1.00 26.41 N +ATOM 3941 N LEU D 69 30.110 -46.054 1.389 1.00 24.41 N +ATOM 3942 CA LEU D 69 28.974 -46.330 0.462 1.00 23.38 C +ATOM 3943 C LEU D 69 28.242 -47.650 0.767 1.00 24.73 C +ATOM 3944 O LEU D 69 27.053 -47.822 0.408 1.00 25.53 O +ATOM 3945 CB LEU D 69 29.433 -46.229 -1.008 1.00 23.42 C +ATOM 3946 CG LEU D 69 29.702 -44.805 -1.512 1.00 22.80 C +ATOM 3947 CD1 LEU D 69 30.422 -44.816 -2.857 1.00 20.75 C +ATOM 3948 CD2 LEU D 69 28.348 -44.007 -1.657 1.00 22.70 C +ATOM 3949 N ALA D 70 28.936 -48.609 1.362 1.00 24.34 N +ATOM 3950 CA ALA D 70 28.373 -49.925 1.687 1.00 24.40 C +ATOM 3951 C ALA D 70 29.244 -50.556 2.816 1.00 25.39 C +ATOM 3952 O ALA D 70 30.436 -50.256 2.946 1.00 23.87 O +ATOM 3953 CB ALA D 70 28.315 -50.857 0.450 1.00 23.16 C +ATOM 3954 N PRO D 71 28.661 -51.456 3.621 1.00 28.38 N +ATOM 3955 CA PRO D 71 29.499 -52.070 4.717 1.00 28.85 C +ATOM 3956 C PRO D 71 30.833 -52.661 4.277 1.00 28.77 C +ATOM 3957 O PRO D 71 31.822 -52.586 5.046 1.00 30.38 O +ATOM 3958 CB PRO D 71 28.608 -53.199 5.237 1.00 29.76 C +ATOM 3959 CG PRO D 71 27.239 -52.693 5.030 1.00 30.99 C +ATOM 3960 CD PRO D 71 27.267 -51.937 3.682 1.00 28.66 C +ATOM 3961 N ARG D 72 30.867 -53.226 3.084 1.00 28.70 N +ATOM 3962 CA ARG D 72 32.090 -53.856 2.560 1.00 28.20 C +ATOM 3963 C ARG D 72 33.007 -52.859 1.832 1.00 27.60 C +ATOM 3964 O ARG D 72 34.149 -53.202 1.468 1.00 29.14 O +ATOM 3965 CB ARG D 72 31.766 -55.036 1.654 1.00 30.10 C +ATOM 3966 CG ARG D 72 30.923 -56.149 2.288 0.40 30.22 C +ATOM 3967 CD ARG D 72 30.169 -56.967 1.233 0.40 30.53 C +ATOM 3968 NE ARG D 72 31.014 -57.442 0.135 0.40 29.52 N +ATOM 3969 CZ ARG D 72 30.577 -58.100 -0.938 0.40 29.37 C +ATOM 3970 NH1 ARG D 72 29.288 -58.383 -1.092 0.40 28.74 N +ATOM 3971 NH2 ARG D 72 31.447 -58.485 -1.866 0.40 27.62 N +ATOM 3972 N ALA D 73 32.550 -51.623 1.635 1.00 25.66 N +ATOM 3973 CA ALA D 73 33.334 -50.610 0.930 1.00 26.01 C +ATOM 3974 C ALA D 73 34.429 -50.082 1.823 1.00 25.64 C +ATOM 3975 O ALA D 73 34.234 -49.946 3.015 1.00 24.47 O +ATOM 3976 CB ALA D 73 32.451 -49.402 0.496 1.00 25.81 C +ATOM 3977 N LYS D 74 35.552 -49.741 1.221 1.00 25.92 N +ATOM 3978 CA LYS D 74 36.587 -48.972 1.919 0.70 25.92 C +ATOM 3979 C LYS D 74 36.030 -47.588 2.252 1.00 26.75 C +ATOM 3980 O LYS D 74 35.128 -47.067 1.557 1.00 26.76 O +ATOM 3981 CB LYS D 74 37.841 -48.790 1.060 0.70 25.84 C +ATOM 3982 CG LYS D 74 38.675 -50.034 0.856 0.70 26.75 C +ATOM 3983 CD LYS D 74 39.697 -49.831 -0.251 0.70 29.44 C +ATOM 3984 CE LYS D 74 40.552 -51.069 -0.431 0.70 31.98 C +ATOM 3985 NZ LYS D 74 41.593 -50.949 -1.506 0.70 32.70 N +ATOM 3986 N LEU D 75 36.565 -47.009 3.293 1.00 27.60 N +ATOM 3987 CA LEU D 75 36.088 -45.773 3.859 1.00 28.98 C +ATOM 3988 C LEU D 75 36.771 -44.583 3.182 1.00 28.50 C +ATOM 3989 O LEU D 75 37.967 -44.618 2.912 1.00 29.32 O +ATOM 3990 CB LEU D 75 36.415 -45.795 5.370 1.00 31.34 C +ATOM 3991 CG LEU D 75 35.878 -44.762 6.291 1.00 35.31 C +ATOM 3992 CD1 LEU D 75 34.348 -44.727 6.189 1.00 37.15 C +ATOM 3993 CD2 LEU D 75 36.309 -45.047 7.751 1.00 36.15 C +ATOM 3994 N ASP D 76 36.022 -43.525 2.915 1.00 27.79 N +ATOM 3995 CA ASP D 76 36.586 -42.266 2.471 1.00 27.54 C +ATOM 3996 C ASP D 76 36.589 -41.287 3.636 1.00 27.02 C +ATOM 3997 O ASP D 76 35.703 -41.312 4.484 1.00 26.65 O +ATOM 3998 CB ASP D 76 35.816 -41.692 1.267 1.00 26.65 C +ATOM 3999 CG ASP D 76 35.898 -42.592 0.013 1.00 29.06 C +ATOM 4000 OD1 ASP D 76 36.942 -43.247 -0.148 1.00 27.64 O +ATOM 4001 OD2 ASP D 76 34.910 -42.638 -0.769 1.00 29.80 O +ATOM 4002 N ALA D 77 37.632 -40.455 3.717 1.00 27.72 N +ATOM 4003 CA ALA D 77 37.726 -39.476 4.792 1.00 26.88 C +ATOM 4004 C ALA D 77 38.216 -38.131 4.314 1.00 27.09 C +ATOM 4005 O ALA D 77 38.914 -37.986 3.270 1.00 27.95 O +ATOM 4006 CB ALA D 77 38.613 -40.007 5.917 1.00 26.84 C +ATOM 4007 N PHE D 78 37.860 -37.121 5.097 1.00 26.58 N +ATOM 4008 CA PHE D 78 38.305 -35.770 4.872 1.00 26.65 C +ATOM 4009 C PHE D 78 38.811 -35.234 6.196 1.00 26.74 C +ATOM 4010 O PHE D 78 38.149 -35.418 7.211 1.00 26.43 O +ATOM 4011 CB PHE D 78 37.178 -34.922 4.378 1.00 26.73 C +ATOM 4012 CG PHE D 78 37.525 -33.499 4.267 1.00 30.23 C +ATOM 4013 CD1 PHE D 78 38.387 -33.058 3.245 1.00 32.81 C +ATOM 4014 CD2 PHE D 78 37.047 -32.584 5.197 1.00 35.05 C +ATOM 4015 CE1 PHE D 78 38.752 -31.715 3.163 1.00 35.33 C +ATOM 4016 CE2 PHE D 78 37.410 -31.223 5.089 1.00 36.31 C +ATOM 4017 CZ PHE D 78 38.246 -30.808 4.066 1.00 35.33 C +ATOM 4018 N PHE D 79 39.968 -34.569 6.168 1.00 27.19 N +ATOM 4019 CA PHE D 79 40.628 -34.064 7.376 1.00 28.24 C +ATOM 4020 C PHE D 79 40.864 -32.600 7.198 1.00 28.61 C +ATOM 4021 O PHE D 79 41.542 -32.211 6.230 1.00 29.12 O +ATOM 4022 CB PHE D 79 41.984 -34.759 7.546 1.00 28.40 C +ATOM 4023 CG PHE D 79 41.902 -36.250 7.675 1.00 26.49 C +ATOM 4024 CD1 PHE D 79 41.969 -36.858 8.908 1.00 25.82 C +ATOM 4025 CD2 PHE D 79 41.772 -37.052 6.556 1.00 27.02 C +ATOM 4026 CE1 PHE D 79 41.914 -38.230 9.036 1.00 28.30 C +ATOM 4027 CE2 PHE D 79 41.688 -38.452 6.685 1.00 28.56 C +ATOM 4028 CZ PHE D 79 41.742 -39.016 7.920 1.00 27.12 C +ATOM 4029 N ALA D 80 40.343 -31.782 8.091 1.00 28.19 N +ATOM 4030 CA ALA D 80 40.642 -30.350 8.026 1.00 28.55 C +ATOM 4031 C ALA D 80 40.968 -29.805 9.440 1.00 27.97 C +ATOM 4032 O ALA D 80 40.068 -29.602 10.271 1.00 28.19 O +ATOM 4033 CB ALA D 80 39.477 -29.594 7.335 1.00 28.81 C +ATOM 4034 N LEU D 81 42.257 -29.627 9.704 1.00 26.89 N +ATOM 4035 CA LEU D 81 42.721 -29.162 11.002 1.00 27.99 C +ATOM 4036 C LEU D 81 43.501 -27.843 10.920 1.00 27.81 C +ATOM 4037 O LEU D 81 44.122 -27.496 9.877 1.00 27.95 O +ATOM 4038 CB LEU D 81 43.586 -30.261 11.622 1.00 28.56 C +ATOM 4039 CG LEU D 81 42.961 -31.659 11.686 1.00 31.02 C +ATOM 4040 CD1 LEU D 81 43.950 -32.646 12.233 1.00 34.84 C +ATOM 4041 CD2 LEU D 81 41.706 -31.650 12.529 1.00 31.61 C +ATOM 4042 N GLU D 82 43.443 -27.105 12.018 1.00 27.11 N +ATOM 4043 CA GLU D 82 44.234 -25.890 12.204 1.00 28.03 C +ATOM 4044 C GLU D 82 44.835 -25.824 13.595 1.00 28.16 C +ATOM 4045 O GLU D 82 44.516 -26.636 14.477 1.00 27.87 O +ATOM 4046 CB GLU D 82 43.384 -24.661 11.908 1.00 29.25 C +ATOM 4047 CG GLU D 82 42.249 -24.508 12.804 1.00 32.75 C +ATOM 4048 CD GLU D 82 41.326 -23.383 12.394 0.50 37.35 C +ATOM 4049 OE1 GLU D 82 41.554 -22.790 11.315 0.50 41.38 O +ATOM 4050 OE2 GLU D 82 40.376 -23.096 13.165 0.50 41.47 O +ATOM 4051 N GLY D 83 45.769 -24.898 13.782 1.00 28.15 N +ATOM 4052 CA GLY D 83 46.345 -24.666 15.105 1.00 29.37 C +ATOM 4053 C GLY D 83 47.700 -25.296 15.385 1.00 30.10 C +ATOM 4054 O GLY D 83 48.213 -25.202 16.502 1.00 30.14 O +ATOM 4055 N PHE D 84 48.315 -25.891 14.375 1.00 30.44 N +ATOM 4056 CA PHE D 84 49.729 -26.277 14.475 1.00 30.93 C +ATOM 4057 C PHE D 84 50.633 -25.041 14.378 1.00 32.93 C +ATOM 4058 O PHE D 84 50.218 -23.975 13.879 1.00 31.61 O +ATOM 4059 CB PHE D 84 50.095 -27.283 13.396 1.00 30.67 C +ATOM 4060 CG PHE D 84 49.382 -28.603 13.495 1.00 30.14 C +ATOM 4061 CD1 PHE D 84 49.839 -29.621 14.325 1.00 29.82 C +ATOM 4062 CD2 PHE D 84 48.284 -28.852 12.699 1.00 30.54 C +ATOM 4063 CE1 PHE D 84 49.204 -30.864 14.339 1.00 30.84 C +ATOM 4064 CE2 PHE D 84 47.618 -30.098 12.731 1.00 29.69 C +ATOM 4065 CZ PHE D 84 48.094 -31.094 13.564 1.00 30.46 C +ATOM 4066 N PRO D 85 51.871 -25.160 14.883 1.00 33.85 N +ATOM 4067 CA PRO D 85 52.790 -24.028 14.814 1.00 36.56 C +ATOM 4068 C PRO D 85 53.053 -23.685 13.366 1.00 38.03 C +ATOM 4069 O PRO D 85 53.064 -24.581 12.532 1.00 36.06 O +ATOM 4070 CB PRO D 85 54.058 -24.550 15.486 1.00 36.69 C +ATOM 4071 CG PRO D 85 53.715 -25.839 16.113 1.00 35.46 C +ATOM 4072 CD PRO D 85 52.452 -26.352 15.510 1.00 34.77 C +ATOM 4073 N THR D 86 53.211 -22.400 13.071 1.00 41.13 N +ATOM 4074 CA THR D 86 53.513 -21.943 11.726 1.00 43.86 C +ATOM 4075 C THR D 86 55.031 -21.859 11.512 1.00 45.74 C +ATOM 4076 O THR D 86 55.510 -21.732 10.367 1.00 46.46 O +ATOM 4077 CB THR D 86 52.905 -20.553 11.463 1.00 44.62 C +ATOM 4078 OG1 THR D 86 53.332 -19.644 12.485 1.00 45.52 O +ATOM 4079 CG2 THR D 86 51.364 -20.623 11.420 1.00 44.11 C +ATOM 4080 N GLU D 87 55.770 -21.905 12.623 1.00 47.63 N +ATOM 4081 CA GLU D 87 57.233 -22.063 12.636 1.00 49.03 C +ATOM 4082 C GLU D 87 57.531 -23.295 13.495 1.00 50.03 C +ATOM 4083 O GLU D 87 57.297 -23.260 14.712 1.00 51.40 O +ATOM 4084 CB GLU D 87 57.925 -20.826 13.227 1.00 48.94 C +ATOM 4085 CG GLU D 87 58.331 -19.771 12.190 0.10 49.00 C +ATOM 4086 CD GLU D 87 59.323 -18.741 12.727 0.10 49.10 C +ATOM 4087 OE1 GLU D 87 59.619 -18.754 13.942 0.10 49.19 O +ATOM 4088 OE2 GLU D 87 59.812 -17.914 11.927 0.10 48.79 O +ATOM 4089 N PRO D 88 58.015 -24.393 12.882 1.00 50.78 N +ATOM 4090 CA PRO D 88 58.442 -24.529 11.477 1.00 50.99 C +ATOM 4091 C PRO D 88 57.284 -24.427 10.477 1.00 50.83 C +ATOM 4092 O PRO D 88 56.129 -24.596 10.857 1.00 50.92 O +ATOM 4093 CB PRO D 88 59.090 -25.932 11.431 1.00 51.16 C +ATOM 4094 CG PRO D 88 59.247 -26.360 12.898 1.00 51.26 C +ATOM 4095 CD PRO D 88 58.137 -25.671 13.613 1.00 50.88 C +ATOM 4096 N ASN D 89 57.607 -24.119 9.221 1.00 50.20 N +ATOM 4097 CA ASN D 89 56.600 -24.021 8.167 1.00 49.74 C +ATOM 4098 C ASN D 89 55.929 -25.364 7.942 1.00 48.87 C +ATOM 4099 O ASN D 89 54.701 -25.450 7.945 1.00 49.68 O +ATOM 4100 CB ASN D 89 57.187 -23.484 6.844 1.00 49.90 C +ATOM 4101 CG ASN D 89 58.562 -24.088 6.493 1.00 50.75 C +ATOM 4102 OD1 ASN D 89 58.871 -25.234 6.844 1.00 50.70 O +ATOM 4103 ND2 ASN D 89 59.394 -23.300 5.797 1.00 50.89 N +ATOM 4104 N SER D 90 56.739 -26.408 7.778 1.00 47.63 N +ATOM 4105 CA SER D 90 56.233 -27.753 7.483 1.00 46.81 C +ATOM 4106 C SER D 90 56.293 -28.672 8.701 1.00 45.52 C +ATOM 4107 O SER D 90 57.034 -28.412 9.660 1.00 46.35 O +ATOM 4108 CB SER D 90 57.042 -28.388 6.359 1.00 46.99 C +ATOM 4109 OG SER D 90 56.952 -27.611 5.187 1.00 47.39 O +ATOM 4110 N SER D 91 55.501 -29.744 8.643 1.00 43.03 N +ATOM 4111 CA SER D 91 55.578 -30.843 9.596 1.00 40.63 C +ATOM 4112 C SER D 91 54.744 -31.999 9.030 1.00 38.47 C +ATOM 4113 O SER D 91 53.933 -31.789 8.114 1.00 37.96 O +ATOM 4114 CB SER D 91 55.104 -30.431 11.000 1.00 40.76 C +ATOM 4115 OG SER D 91 53.701 -30.193 11.075 1.00 40.81 O +ATOM 4116 N SER D 92 55.020 -33.214 9.508 1.00 35.62 N +ATOM 4117 CA SER D 92 54.240 -34.411 9.176 1.00 34.24 C +ATOM 4118 C SER D 92 53.663 -34.931 10.496 1.00 32.31 C +ATOM 4119 O SER D 92 54.399 -35.129 11.453 1.00 31.02 O +ATOM 4120 CB SER D 92 55.125 -35.460 8.531 1.00 34.05 C +ATOM 4121 OG SER D 92 54.383 -36.598 8.172 1.00 36.80 O +ATOM 4122 N ARG D 93 52.342 -35.116 10.554 1.00 29.88 N +ATOM 4123 CA ARG D 93 51.676 -35.491 11.806 1.00 29.09 C +ATOM 4124 C ARG D 93 50.778 -36.705 11.562 1.00 27.48 C +ATOM 4125 O ARG D 93 50.070 -36.767 10.549 1.00 27.34 O +ATOM 4126 CB ARG D 93 50.800 -34.361 12.354 1.00 29.17 C +ATOM 4127 CG ARG D 93 51.532 -33.032 12.449 1.00 30.51 C +ATOM 4128 CD ARG D 93 52.439 -32.893 13.663 1.00 32.19 C +ATOM 4129 NE ARG D 93 52.947 -31.504 13.663 1.00 32.22 N +ATOM 4130 CZ ARG D 93 53.303 -30.751 14.711 1.00 36.23 C +ATOM 4131 NH1 ARG D 93 53.284 -31.180 15.965 1.00 34.13 N +ATOM 4132 NH2 ARG D 93 53.691 -29.508 14.479 1.00 36.26 N +ATOM 4133 N ALA D 94 50.809 -37.621 12.519 1.00 26.23 N +ATOM 4134 CA ALA D 94 50.046 -38.853 12.446 1.00 25.49 C +ATOM 4135 C ALA D 94 48.637 -38.659 12.989 1.00 26.06 C +ATOM 4136 O ALA D 94 48.413 -37.904 13.931 1.00 25.48 O +ATOM 4137 CB ALA D 94 50.736 -39.965 13.212 1.00 25.95 C +ATOM 4138 N ILE D 95 47.692 -39.393 12.393 1.00 25.61 N +ATOM 4139 CA ILE D 95 46.328 -39.451 12.897 1.00 26.01 C +ATOM 4140 C ILE D 95 45.882 -40.894 12.898 1.00 26.01 C +ATOM 4141 O ILE D 95 46.070 -41.601 11.899 1.00 27.06 O +ATOM 4142 CB ILE D 95 45.395 -38.610 12.039 1.00 26.26 C +ATOM 4143 CG1 ILE D 95 45.938 -37.184 11.910 1.00 27.40 C +ATOM 4144 CG2 ILE D 95 43.933 -38.642 12.637 1.00 24.99 C +ATOM 4145 CD1 ILE D 95 45.044 -36.240 11.062 1.00 27.99 C +ATOM 4146 N HIS D 96 45.311 -41.347 14.018 1.00 26.10 N +ATOM 4147 CA HIS D 96 44.865 -42.740 14.085 1.00 27.93 C +ATOM 4148 C HIS D 96 43.520 -42.861 14.821 1.00 27.96 C +ATOM 4149 O HIS D 96 43.127 -41.956 15.475 1.00 28.23 O +ATOM 4150 CB HIS D 96 45.810 -43.604 14.915 1.00 29.52 C +ATOM 4151 CG HIS D 96 47.276 -43.374 14.712 1.00 27.57 C +ATOM 4152 ND1 HIS D 96 48.092 -42.925 15.733 1.00 31.82 N +ATOM 4153 CD2 HIS D 96 48.086 -43.589 13.641 1.00 30.55 C +ATOM 4154 CE1 HIS D 96 49.338 -42.880 15.293 1.00 31.66 C +ATOM 4155 NE2 HIS D 96 49.360 -43.263 14.029 1.00 27.51 N +ATOM 4156 N VAL D 97 42.875 -44.034 14.717 1.00 27.47 N +ATOM 4157 CA VAL D 97 41.745 -44.400 15.588 1.00 27.88 C +ATOM 4158 C VAL D 97 42.227 -45.157 16.830 1.00 27.03 C +ATOM 4159 O VAL D 97 42.974 -46.135 16.713 1.00 28.34 O +ATOM 4160 CB VAL D 97 40.707 -45.262 14.846 1.00 26.96 C +ATOM 4161 CG1 VAL D 97 39.546 -45.658 15.756 1.00 26.85 C +ATOM 4162 CG2 VAL D 97 40.167 -44.519 13.561 1.00 27.67 C +ATOM 4163 N HIS D 98 41.784 -44.704 17.996 1.00 26.47 N +ATOM 4164 CA HIS D 98 42.066 -45.319 19.273 1.00 26.77 C +ATOM 4165 C HIS D 98 40.815 -45.986 19.776 1.00 27.06 C +ATOM 4166 O HIS D 98 39.689 -45.710 19.349 1.00 25.75 O +ATOM 4167 CB HIS D 98 42.705 -44.346 20.318 1.00 26.70 C +ATOM 4168 CG HIS D 98 44.113 -43.926 19.970 1.00 25.99 C +ATOM 4169 ND1 HIS D 98 45.185 -44.145 20.815 1.00 28.17 N +ATOM 4170 CD2 HIS D 98 44.643 -43.414 18.825 1.00 29.41 C +ATOM 4171 CE1 HIS D 98 46.298 -43.693 20.244 1.00 28.78 C +ATOM 4172 NE2 HIS D 98 46.001 -43.261 19.032 1.00 27.36 N +ATOM 4173 N GLN D 99 41.042 -46.976 20.630 1.00 26.78 N +ATOM 4174 CA GLN D 99 39.994 -47.901 20.980 1.00 26.97 C +ATOM 4175 C GLN D 99 38.719 -47.309 21.577 1.00 27.52 C +ATOM 4176 O GLN D 99 37.630 -47.754 21.198 1.00 26.84 O +ATOM 4177 CB GLN D 99 40.548 -48.944 21.935 1.00 27.66 C +ATOM 4178 CG GLN D 99 39.593 -50.022 22.313 1.00 29.84 C +ATOM 4179 CD GLN D 99 40.271 -51.101 23.159 1.00 33.19 C +ATOM 4180 OE1 GLN D 99 41.451 -50.996 23.536 1.00 33.33 O +ATOM 4181 NE2 GLN D 99 39.493 -52.090 23.535 1.00 30.36 N +ATOM 4182 N PHE D 100 38.831 -46.345 22.493 1.00 27.51 N +ATOM 4183 CA PHE D 100 37.679 -45.920 23.293 1.00 25.93 C +ATOM 4184 C PHE D 100 37.359 -44.442 23.029 1.00 27.33 C +ATOM 4185 O PHE D 100 38.264 -43.590 23.015 1.00 26.32 O +ATOM 4186 CB PHE D 100 37.970 -46.055 24.771 1.00 27.35 C +ATOM 4187 CG PHE D 100 38.127 -47.497 25.219 1.00 28.24 C +ATOM 4188 CD1 PHE D 100 37.139 -48.428 24.966 1.00 28.85 C +ATOM 4189 CD2 PHE D 100 39.265 -47.867 25.874 1.00 31.92 C +ATOM 4190 CE1 PHE D 100 37.274 -49.723 25.388 1.00 31.26 C +ATOM 4191 CE2 PHE D 100 39.423 -49.182 26.294 1.00 32.73 C +ATOM 4192 CZ PHE D 100 38.412 -50.102 26.027 1.00 34.20 C +ATOM 4193 N GLY D 101 36.077 -44.151 22.803 1.00 27.82 N +ATOM 4194 CA GLY D 101 35.646 -42.733 22.728 1.00 28.04 C +ATOM 4195 C GLY D 101 35.428 -42.183 24.101 1.00 28.32 C +ATOM 4196 O GLY D 101 34.291 -41.812 24.483 1.00 28.58 O +ATOM 4197 N ASP D 102 36.507 -42.159 24.899 1.00 28.13 N +ATOM 4198 CA ASP D 102 36.459 -41.818 26.308 1.00 28.92 C +ATOM 4199 C ASP D 102 37.373 -40.617 26.488 1.00 28.65 C +ATOM 4200 O ASP D 102 38.590 -40.770 26.517 1.00 27.60 O +ATOM 4201 CB ASP D 102 36.890 -43.006 27.176 1.00 29.71 C +ATOM 4202 CG ASP D 102 37.003 -42.665 28.639 1.00 32.53 C +ATOM 4203 OD1 ASP D 102 36.754 -41.469 29.061 1.00 29.60 O +ATOM 4204 OD2 ASP D 102 37.390 -43.591 29.394 1.00 31.77 O +ATOM 4205 N LEU D 103 36.759 -39.438 26.539 1.00 29.11 N +ATOM 4206 CA LEU D 103 37.466 -38.179 26.689 1.00 29.34 C +ATOM 4207 C LEU D 103 37.526 -37.678 28.124 1.00 29.90 C +ATOM 4208 O LEU D 103 37.770 -36.482 28.320 1.00 30.91 O +ATOM 4209 CB LEU D 103 36.827 -37.123 25.768 1.00 29.58 C +ATOM 4210 CG LEU D 103 37.146 -37.188 24.260 1.00 35.46 C +ATOM 4211 CD1 LEU D 103 37.590 -38.457 23.678 1.00 35.05 C +ATOM 4212 CD2 LEU D 103 36.065 -36.349 23.439 1.00 35.69 C +ATOM 4213 N SER D 104 37.410 -38.574 29.123 1.00 29.73 N +ATOM 4214 CA SER D 104 37.404 -38.212 30.572 1.00 30.05 C +ATOM 4215 C SER D 104 38.740 -37.609 31.031 1.00 30.51 C +ATOM 4216 O SER D 104 38.787 -36.749 31.942 1.00 32.16 O +ATOM 4217 CB SER D 104 37.048 -39.402 31.452 1.00 30.62 C +ATOM 4218 OG SER D 104 37.889 -40.509 31.194 1.00 29.54 O +ATOM 4219 N GLN D 105 39.829 -38.058 30.404 1.00 29.78 N +ATOM 4220 CA GLN D 105 41.155 -37.502 30.656 0.50 30.43 C +ATOM 4221 C GLN D 105 41.747 -37.021 29.327 1.00 30.09 C +ATOM 4222 O GLN D 105 42.838 -37.410 28.911 1.00 29.83 O +ATOM 4223 CB GLN D 105 42.011 -38.543 31.361 0.50 30.72 C +ATOM 4224 CG GLN D 105 41.278 -39.214 32.546 0.50 32.06 C +ATOM 4225 CD GLN D 105 40.966 -38.270 33.720 0.50 34.37 C +ATOM 4226 OE1 GLN D 105 41.762 -37.406 34.050 0.50 38.52 O +ATOM 4227 NE2 GLN D 105 39.803 -38.450 34.357 0.50 34.33 N +ATOM 4228 N GLY D 106 41.005 -36.165 28.676 1.00 30.79 N +ATOM 4229 CA GLY D 106 41.358 -35.704 27.325 1.00 30.59 C +ATOM 4230 C GLY D 106 41.653 -36.879 26.432 1.00 30.42 C +ATOM 4231 O GLY D 106 40.961 -37.889 26.480 1.00 31.86 O +ATOM 4232 N CYS D 107 42.739 -36.810 25.658 1.00 30.12 N +ATOM 4233 CA CYS D 107 43.032 -37.824 24.655 1.00 29.73 C +ATOM 4234 C CYS D 107 43.687 -39.048 25.320 1.00 28.82 C +ATOM 4235 O CYS D 107 43.855 -40.084 24.689 1.00 28.73 O +ATOM 4236 CB CYS D 107 43.927 -37.236 23.540 1.00 31.50 C +ATOM 4237 SG CYS D 107 43.017 -35.866 22.731 1.00 36.06 S +ATOM 4238 N GLU D 108 44.116 -38.888 26.563 1.00 27.72 N +ATOM 4239 CA GLU D 108 44.914 -39.924 27.239 1.00 28.11 C +ATOM 4240 C GLU D 108 44.092 -41.140 27.567 1.00 27.51 C +ATOM 4241 O GLU D 108 44.635 -42.278 27.719 1.00 27.37 O +ATOM 4242 CB GLU D 108 45.533 -39.343 28.526 1.00 29.17 C +ATOM 4243 CG GLU D 108 46.435 -38.124 28.238 1.00 29.74 C +ATOM 4244 CD GLU D 108 47.596 -38.561 27.382 1.00 33.97 C +ATOM 4245 OE1 GLU D 108 48.253 -39.537 27.795 1.00 34.21 O +ATOM 4246 OE2 GLU D 108 47.833 -38.028 26.298 1.00 33.02 O +ATOM 4247 N SER D 109 42.794 -40.917 27.747 1.00 26.42 N +ATOM 4248 CA SER D 109 41.858 -41.992 28.138 1.00 27.00 C +ATOM 4249 C SER D 109 41.257 -42.809 26.960 1.00 27.18 C +ATOM 4250 O SER D 109 40.471 -43.734 27.183 1.00 28.24 O +ATOM 4251 CB SER D 109 40.741 -41.398 28.984 1.00 28.00 C +ATOM 4252 OG SER D 109 40.270 -40.152 28.432 1.00 28.20 O +ATOM 4253 N THR D 110 41.701 -42.548 25.743 1.00 26.61 N +ATOM 4254 CA THR D 110 41.199 -43.214 24.571 1.00 26.10 C +ATOM 4255 C THR D 110 41.842 -44.564 24.280 1.00 25.67 C +ATOM 4256 O THR D 110 41.441 -45.247 23.342 1.00 27.32 O +ATOM 4257 CB THR D 110 41.327 -42.308 23.358 1.00 26.17 C +ATOM 4258 OG1 THR D 110 42.718 -42.047 23.095 1.00 27.32 O +ATOM 4259 CG2 THR D 110 40.532 -40.994 23.560 1.00 27.62 C +ATOM 4260 N GLY D 111 42.829 -44.970 25.092 1.00 25.81 N +ATOM 4261 CA GLY D 111 43.341 -46.323 24.910 1.00 25.90 C +ATOM 4262 C GLY D 111 44.365 -46.388 23.798 1.00 26.83 C +ATOM 4263 O GLY D 111 44.828 -45.362 23.280 1.00 27.80 O +ATOM 4264 N PRO D 112 44.748 -47.618 23.445 1.00 27.67 N +ATOM 4265 CA PRO D 112 45.672 -47.906 22.369 1.00 28.03 C +ATOM 4266 C PRO D 112 45.002 -47.801 21.032 1.00 27.71 C +ATOM 4267 O PRO D 112 43.808 -47.538 20.970 1.00 27.80 O +ATOM 4268 CB PRO D 112 46.086 -49.375 22.646 1.00 28.09 C +ATOM 4269 CG PRO D 112 44.844 -49.960 23.263 1.00 28.78 C +ATOM 4270 CD PRO D 112 44.168 -48.842 24.023 1.00 27.30 C +ATOM 4271 N HIS D 113 45.753 -48.023 19.956 1.00 28.20 N +ATOM 4272 CA HIS D 113 45.175 -48.065 18.620 1.00 27.90 C +ATOM 4273 C HIS D 113 44.079 -49.131 18.572 1.00 26.88 C +ATOM 4274 O HIS D 113 44.254 -50.219 19.155 1.00 27.32 O +ATOM 4275 CB HIS D 113 46.300 -48.420 17.633 1.00 27.42 C +ATOM 4276 CG HIS D 113 47.229 -47.291 17.395 1.00 28.60 C +ATOM 4277 ND1 HIS D 113 47.996 -47.167 16.256 1.00 29.26 N +ATOM 4278 CD2 HIS D 113 47.499 -46.207 18.161 1.00 33.67 C +ATOM 4279 CE1 HIS D 113 48.698 -46.045 16.332 1.00 34.68 C +ATOM 4280 NE2 HIS D 113 48.401 -45.438 17.468 1.00 34.25 N +ATOM 4281 N TYR D 114 42.945 -48.826 17.925 1.00 27.68 N +ATOM 4282 CA TYR D 114 41.886 -49.789 17.813 1.00 26.85 C +ATOM 4283 C TYR D 114 42.392 -50.988 16.984 1.00 26.48 C +ATOM 4284 O TYR D 114 42.882 -50.837 15.866 1.00 26.13 O +ATOM 4285 CB TYR D 114 40.623 -49.155 17.224 1.00 26.14 C +ATOM 4286 CG TYR D 114 39.483 -50.110 17.041 1.00 28.37 C +ATOM 4287 CD1 TYR D 114 39.039 -50.904 18.082 1.00 29.44 C +ATOM 4288 CD2 TYR D 114 38.811 -50.172 15.824 1.00 31.61 C +ATOM 4289 CE1 TYR D 114 37.981 -51.783 17.915 1.00 31.29 C +ATOM 4290 CE2 TYR D 114 37.733 -51.048 15.637 1.00 29.76 C +ATOM 4291 CZ TYR D 114 37.337 -51.866 16.682 1.00 30.24 C +ATOM 4292 OH TYR D 114 36.255 -52.703 16.523 1.00 31.04 O +ATOM 4293 N ASN D 115 42.255 -52.169 17.538 1.00 27.29 N +ATOM 4294 CA ASN D 115 42.983 -53.330 16.998 1.00 27.69 C +ATOM 4295 C ASN D 115 42.192 -54.607 17.186 1.00 29.59 C +ATOM 4296 O ASN D 115 42.687 -55.549 17.814 1.00 30.63 O +ATOM 4297 CB ASN D 115 44.349 -53.424 17.698 1.00 28.64 C +ATOM 4298 CG ASN D 115 45.301 -54.396 17.037 1.00 30.14 C +ATOM 4299 OD1 ASN D 115 45.021 -54.959 15.982 1.00 27.99 O +ATOM 4300 ND2 ASN D 115 46.450 -54.581 17.666 1.00 29.74 N +ATOM 4301 N PRO D 116 41.016 -54.684 16.551 1.00 31.26 N +ATOM 4302 CA PRO D 116 40.094 -55.825 16.709 1.00 31.91 C +ATOM 4303 C PRO D 116 40.634 -57.133 16.179 1.00 32.82 C +ATOM 4304 O PRO D 116 40.191 -58.199 16.641 1.00 32.07 O +ATOM 4305 CB PRO D 116 38.882 -55.405 15.892 1.00 32.25 C +ATOM 4306 CG PRO D 116 39.435 -54.464 14.860 1.00 32.81 C +ATOM 4307 CD PRO D 116 40.462 -53.695 15.605 1.00 30.98 C +ATOM 4308 N LEU D 117 41.551 -57.066 15.209 1.00 32.66 N +ATOM 4309 CA LEU D 117 42.183 -58.274 14.679 1.00 32.56 C +ATOM 4310 C LEU D 117 43.577 -58.591 15.268 1.00 32.60 C +ATOM 4311 O LEU D 117 44.210 -59.568 14.841 1.00 31.14 O +ATOM 4312 CB LEU D 117 42.210 -58.207 13.150 1.00 33.37 C +ATOM 4313 CG LEU D 117 40.833 -58.202 12.462 1.00 34.33 C +ATOM 4314 CD1 LEU D 117 40.977 -57.843 11.008 1.00 38.67 C +ATOM 4315 CD2 LEU D 117 40.151 -59.546 12.571 1.00 39.31 C +ATOM 4316 N ALA D 118 44.046 -57.828 16.243 1.00 32.08 N +ATOM 4317 CA ALA D 118 45.253 -58.177 17.017 1.00 31.99 C +ATOM 4318 C ALA D 118 46.471 -58.365 16.119 1.00 32.31 C +ATOM 4319 O ALA D 118 47.117 -59.435 16.086 1.00 30.92 O +ATOM 4320 CB ALA D 118 44.995 -59.398 17.859 1.00 32.78 C +ATOM 4321 N VAL D 119 46.772 -57.308 15.379 1.00 31.61 N +ATOM 4322 CA VAL D 119 47.898 -57.257 14.454 1.00 31.09 C +ATOM 4323 C VAL D 119 48.745 -56.055 14.831 1.00 31.36 C +ATOM 4324 O VAL D 119 48.210 -55.123 15.435 1.00 28.89 O +ATOM 4325 CB VAL D 119 47.386 -57.085 13.012 1.00 30.90 C +ATOM 4326 CG1 VAL D 119 46.868 -58.446 12.475 1.00 31.58 C +ATOM 4327 CG2 VAL D 119 46.325 -55.948 12.913 1.00 33.96 C +ATOM 4328 N PRO D 120 50.025 -56.054 14.424 1.00 31.37 N +ATOM 4329 CA PRO D 120 50.916 -54.919 14.689 1.00 30.73 C +ATOM 4330 C PRO D 120 50.575 -53.667 13.888 1.00 30.97 C +ATOM 4331 O PRO D 120 50.040 -53.757 12.790 1.00 29.88 O +ATOM 4332 CB PRO D 120 52.307 -55.440 14.264 1.00 31.30 C +ATOM 4333 CG PRO D 120 52.070 -56.602 13.442 1.00 32.15 C +ATOM 4334 CD PRO D 120 50.699 -57.139 13.698 1.00 32.26 C +ATOM 4335 N HIS D 121 50.914 -52.516 14.456 1.00 29.65 N +ATOM 4336 CA HIS D 121 51.008 -51.277 13.720 1.00 29.77 C +ATOM 4337 C HIS D 121 52.009 -51.509 12.591 1.00 30.95 C +ATOM 4338 O HIS D 121 53.084 -52.126 12.821 1.00 29.53 O +ATOM 4339 CB HIS D 121 51.469 -50.157 14.649 1.00 29.38 C +ATOM 4340 CG HIS D 121 51.404 -48.788 14.040 1.00 28.08 C +ATOM 4341 ND1 HIS D 121 50.243 -48.063 13.952 1.00 24.59 N +ATOM 4342 CD2 HIS D 121 52.361 -48.031 13.462 1.00 28.56 C +ATOM 4343 CE1 HIS D 121 50.491 -46.899 13.380 1.00 29.01 C +ATOM 4344 NE2 HIS D 121 51.783 -46.855 13.074 1.00 27.53 N +ATOM 4345 N PRO D 122 51.707 -51.012 11.376 1.00 31.33 N +ATOM 4346 CA PRO D 122 50.631 -50.160 10.961 1.00 31.10 C +ATOM 4347 C PRO D 122 49.476 -50.881 10.237 1.00 31.39 C +ATOM 4348 O PRO D 122 48.907 -50.328 9.283 1.00 31.21 O +ATOM 4349 CB PRO D 122 51.350 -49.184 10.026 1.00 31.50 C +ATOM 4350 CG PRO D 122 52.294 -50.058 9.290 1.00 32.18 C +ATOM 4351 CD PRO D 122 52.634 -51.215 10.252 1.00 32.13 C +ATOM 4352 N GLN D 123 49.096 -52.056 10.736 1.00 31.19 N +ATOM 4353 CA GLN D 123 48.057 -52.863 10.109 1.00 31.00 C +ATOM 4354 C GLN D 123 46.677 -52.634 10.778 1.00 30.91 C +ATOM 4355 O GLN D 123 45.701 -53.322 10.473 1.00 29.16 O +ATOM 4356 CB GLN D 123 48.417 -54.341 10.158 1.00 31.56 C +ATOM 4357 CG GLN D 123 49.740 -54.731 9.533 1.00 32.22 C +ATOM 4358 CD GLN D 123 50.069 -56.194 9.825 1.00 35.28 C +ATOM 4359 OE1 GLN D 123 49.174 -57.037 9.875 1.00 34.86 O +ATOM 4360 NE2 GLN D 123 51.339 -56.482 10.077 1.00 38.39 N +ATOM 4361 N HIS D 124 46.597 -51.668 11.686 1.00 29.55 N +ATOM 4362 CA HIS D 124 45.333 -51.410 12.410 1.00 29.32 C +ATOM 4363 C HIS D 124 44.367 -50.721 11.453 1.00 28.70 C +ATOM 4364 O HIS D 124 44.766 -49.902 10.621 1.00 28.70 O +ATOM 4365 CB HIS D 124 45.567 -50.519 13.650 1.00 30.08 C +ATOM 4366 CG HIS D 124 46.645 -51.013 14.588 1.00 28.39 C +ATOM 4367 ND1 HIS D 124 47.576 -50.167 15.180 1.00 23.39 N +ATOM 4368 CD2 HIS D 124 46.904 -52.258 15.060 1.00 30.22 C +ATOM 4369 CE1 HIS D 124 48.364 -50.890 15.962 1.00 28.09 C +ATOM 4370 NE2 HIS D 124 47.973 -52.154 15.920 1.00 25.89 N +ATOM 4371 N PRO D 125 43.075 -50.988 11.588 1.00 28.75 N +ATOM 4372 CA PRO D 125 42.168 -50.470 10.553 1.00 28.91 C +ATOM 4373 C PRO D 125 42.129 -48.935 10.482 1.00 28.14 C +ATOM 4374 O PRO D 125 41.935 -48.369 9.407 1.00 31.12 O +ATOM 4375 CB PRO D 125 40.808 -51.029 10.979 1.00 28.75 C +ATOM 4376 CG PRO D 125 40.928 -51.324 12.419 1.00 28.94 C +ATOM 4377 CD PRO D 125 42.360 -51.726 12.644 1.00 29.78 C +ATOM 4378 N GLY D 126 42.303 -48.288 11.618 1.00 28.90 N +ATOM 4379 CA GLY D 126 42.347 -46.835 11.688 1.00 28.65 C +ATOM 4380 C GLY D 126 43.737 -46.192 11.653 1.00 28.14 C +ATOM 4381 O GLY D 126 43.896 -45.003 12.086 1.00 28.87 O +ATOM 4382 N ASP D 127 44.735 -46.918 11.168 1.00 28.27 N +ATOM 4383 CA ASP D 127 46.073 -46.368 10.955 1.00 28.44 C +ATOM 4384 C ASP D 127 46.057 -45.508 9.709 1.00 29.77 C +ATOM 4385 O ASP D 127 46.426 -45.971 8.622 1.00 30.74 O +ATOM 4386 CB ASP D 127 47.101 -47.481 10.814 1.00 28.66 C +ATOM 4387 CG ASP D 127 47.478 -48.115 12.123 1.00 26.70 C +ATOM 4388 OD1 ASP D 127 47.265 -47.439 13.151 1.00 28.20 O +ATOM 4389 OD2 ASP D 127 47.971 -49.297 12.108 1.00 27.77 O +ATOM 4390 N PHE D 128 45.670 -44.249 9.861 1.00 29.78 N +ATOM 4391 CA PHE D 128 45.455 -43.348 8.701 1.00 30.81 C +ATOM 4392 C PHE D 128 46.744 -42.794 8.136 1.00 31.70 C +ATOM 4393 O PHE D 128 46.743 -42.296 6.992 1.00 32.83 O +ATOM 4394 CB PHE D 128 44.509 -42.181 9.013 1.00 30.28 C +ATOM 4395 CG PHE D 128 43.104 -42.591 9.457 1.00 31.05 C +ATOM 4396 CD1 PHE D 128 42.498 -43.781 8.985 1.00 32.59 C +ATOM 4397 CD2 PHE D 128 42.398 -41.808 10.397 1.00 31.67 C +ATOM 4398 CE1 PHE D 128 41.224 -44.146 9.417 1.00 31.54 C +ATOM 4399 CE2 PHE D 128 41.130 -42.183 10.822 1.00 32.60 C +ATOM 4400 CZ PHE D 128 40.550 -43.345 10.306 1.00 29.02 C +ATOM 4401 N GLY D 129 47.826 -42.922 8.896 1.00 30.97 N +ATOM 4402 CA GLY D 129 49.160 -42.490 8.459 1.00 30.46 C +ATOM 4403 C GLY D 129 49.473 -41.026 8.745 1.00 30.13 C +ATOM 4404 O GLY D 129 48.926 -40.396 9.672 1.00 29.60 O +ATOM 4405 N ASN D 130 50.374 -40.477 7.934 1.00 29.09 N +ATOM 4406 CA ASN D 130 50.876 -39.133 8.173 1.00 28.97 C +ATOM 4407 C ASN D 130 50.230 -38.107 7.253 1.00 29.09 C +ATOM 4408 O ASN D 130 49.948 -38.418 6.084 1.00 30.01 O +ATOM 4409 CB ASN D 130 52.405 -39.124 7.929 1.00 29.24 C +ATOM 4410 CG ASN D 130 53.149 -39.961 8.932 1.00 28.93 C +ATOM 4411 OD1 ASN D 130 53.962 -40.841 8.583 1.00 31.05 O +ATOM 4412 ND2 ASN D 130 52.910 -39.682 10.180 1.00 26.16 N +ATOM 4413 N PHE D 131 50.116 -36.879 7.755 1.00 29.07 N +ATOM 4414 CA PHE D 131 49.516 -35.765 7.052 1.00 29.82 C +ATOM 4415 C PHE D 131 50.461 -34.566 7.053 1.00 29.88 C +ATOM 4416 O PHE D 131 51.003 -34.176 8.083 1.00 29.39 O +ATOM 4417 CB PHE D 131 48.137 -35.405 7.682 1.00 29.30 C +ATOM 4418 CG PHE D 131 47.126 -36.510 7.564 1.00 29.40 C +ATOM 4419 CD1 PHE D 131 46.152 -36.484 6.571 1.00 29.84 C +ATOM 4420 CD2 PHE D 131 47.168 -37.593 8.420 1.00 26.90 C +ATOM 4421 CE1 PHE D 131 45.259 -37.545 6.431 1.00 30.98 C +ATOM 4422 CE2 PHE D 131 46.266 -38.667 8.265 1.00 29.84 C +ATOM 4423 CZ PHE D 131 45.329 -38.630 7.269 1.00 28.15 C +ATOM 4424 N ALA D 132 50.612 -33.957 5.883 1.00 30.80 N +ATOM 4425 CA ALA D 132 51.469 -32.800 5.723 1.00 31.83 C +ATOM 4426 C ALA D 132 50.775 -31.553 6.260 1.00 32.72 C +ATOM 4427 O ALA D 132 49.711 -31.156 5.768 1.00 34.58 O +ATOM 4428 CB ALA D 132 51.857 -32.619 4.242 1.00 31.17 C +ATOM 4429 N VAL D 133 51.359 -30.950 7.285 1.00 32.00 N +ATOM 4430 CA VAL D 133 50.878 -29.675 7.770 1.00 31.60 C +ATOM 4431 C VAL D 133 51.724 -28.585 7.138 1.00 31.62 C +ATOM 4432 O VAL D 133 52.954 -28.725 7.027 1.00 30.13 O +ATOM 4433 CB VAL D 133 50.918 -29.628 9.289 1.00 32.12 C +ATOM 4434 CG1 VAL D 133 50.612 -28.196 9.797 1.00 31.28 C +ATOM 4435 CG2 VAL D 133 49.967 -30.661 9.850 1.00 33.20 C +ATOM 4436 N ARG D 134 51.068 -27.544 6.640 1.00 31.21 N +ATOM 4437 CA ARG D 134 51.794 -26.374 6.145 1.00 31.77 C +ATOM 4438 C ARG D 134 51.088 -25.083 6.574 1.00 31.51 C +ATOM 4439 O ARG D 134 49.850 -24.982 6.544 1.00 31.39 O +ATOM 4440 CB ARG D 134 51.984 -26.440 4.635 1.00 33.28 C +ATOM 4441 CG ARG D 134 50.718 -26.497 3.797 1.00 35.57 C +ATOM 4442 CD ARG D 134 51.031 -26.484 2.291 0.50 38.21 C +ATOM 4443 NE ARG D 134 50.901 -27.809 1.687 0.50 39.57 N +ATOM 4444 CZ ARG D 134 49.745 -28.417 1.431 0.50 41.86 C +ATOM 4445 NH1 ARG D 134 48.583 -27.846 1.735 0.50 43.13 N +ATOM 4446 NH2 ARG D 134 49.751 -29.625 0.883 0.50 43.30 N +ATOM 4447 N ASP D 135 51.884 -24.135 7.041 1.00 31.35 N +ATOM 4448 CA ASP D 135 51.418 -22.869 7.588 1.00 31.44 C +ATOM 4449 C ASP D 135 50.361 -23.106 8.676 1.00 30.92 C +ATOM 4450 O ASP D 135 49.446 -22.289 8.844 1.00 31.37 O +ATOM 4451 CB ASP D 135 50.860 -21.939 6.518 1.00 31.25 C +ATOM 4452 CG ASP D 135 50.766 -20.499 7.001 0.50 32.43 C +ATOM 4453 OD1 ASP D 135 51.757 -19.995 7.570 0.50 33.56 O +ATOM 4454 OD2 ASP D 135 49.691 -19.882 6.843 0.50 35.74 O +ATOM 4455 N GLY D 136 50.525 -24.205 9.403 1.00 30.72 N +ATOM 4456 CA GLY D 136 49.725 -24.501 10.580 1.00 30.76 C +ATOM 4457 C GLY D 136 48.420 -25.226 10.359 1.00 30.71 C +ATOM 4458 O GLY D 136 47.692 -25.477 11.321 1.00 30.43 O +ATOM 4459 N SER D 137 48.140 -25.588 9.116 1.00 30.26 N +ATOM 4460 CA SER D 137 46.869 -26.206 8.764 1.00 31.21 C +ATOM 4461 C SER D 137 47.112 -27.477 8.024 1.00 31.71 C +ATOM 4462 O SER D 137 48.175 -27.682 7.408 1.00 31.08 O +ATOM 4463 CB SER D 137 46.062 -25.288 7.849 1.00 31.50 C +ATOM 4464 OG SER D 137 45.796 -24.027 8.484 1.00 36.51 O +ATOM 4465 N LEU D 138 46.062 -28.264 8.022 1.00 32.48 N +ATOM 4466 CA LEU D 138 46.017 -29.574 7.390 1.00 34.38 C +ATOM 4467 C LEU D 138 44.673 -29.605 6.638 1.00 33.66 C +ATOM 4468 O LEU D 138 43.630 -29.269 7.199 1.00 33.25 O +ATOM 4469 CB LEU D 138 46.063 -30.604 8.514 1.00 35.02 C +ATOM 4470 CG LEU D 138 46.353 -32.103 8.432 1.00 38.14 C +ATOM 4471 CD1 LEU D 138 46.887 -32.634 9.788 1.00 36.74 C +ATOM 4472 CD2 LEU D 138 45.150 -32.849 8.052 1.00 32.62 C +ATOM 4473 N TRP D 139 44.698 -29.975 5.368 1.00 33.81 N +ATOM 4474 CA TRP D 139 43.493 -30.092 4.564 1.00 34.72 C +ATOM 4475 C TRP D 139 43.696 -31.208 3.553 1.00 34.74 C +ATOM 4476 O TRP D 139 44.440 -31.034 2.562 1.00 34.98 O +ATOM 4477 CB TRP D 139 43.216 -28.773 3.859 1.00 36.02 C +ATOM 4478 CG TRP D 139 41.846 -28.618 3.262 1.00 39.51 C +ATOM 4479 CD1 TRP D 139 40.818 -27.875 3.769 1.00 43.31 C +ATOM 4480 CD2 TRP D 139 41.375 -29.155 2.007 1.00 43.11 C +ATOM 4481 NE1 TRP D 139 39.729 -27.926 2.920 1.00 46.22 N +ATOM 4482 CE2 TRP D 139 40.042 -28.709 1.837 1.00 44.72 C +ATOM 4483 CE3 TRP D 139 41.935 -29.996 1.036 1.00 45.05 C +ATOM 4484 CZ2 TRP D 139 39.260 -29.069 0.725 1.00 44.95 C +ATOM 4485 CZ3 TRP D 139 41.149 -30.358 -0.086 1.00 45.09 C +ATOM 4486 CH2 TRP D 139 39.830 -29.888 -0.225 1.00 44.11 C +ATOM 4487 N ARG D 140 43.070 -32.353 3.784 1.00 32.66 N +ATOM 4488 CA ARG D 140 43.348 -33.535 2.976 1.00 32.60 C +ATOM 4489 C ARG D 140 42.147 -34.480 2.847 1.00 30.93 C +ATOM 4490 O ARG D 140 41.528 -34.785 3.857 1.00 29.41 O +ATOM 4491 CB ARG D 140 44.475 -34.308 3.635 1.00 32.96 C +ATOM 4492 CG ARG D 140 44.978 -35.486 2.846 1.00 37.31 C +ATOM 4493 CD ARG D 140 45.191 -35.050 1.403 1.00 42.01 C +ATOM 4494 NE ARG D 140 46.362 -35.635 0.780 1.00 48.09 N +ATOM 4495 CZ ARG D 140 46.575 -36.942 0.629 1.00 50.41 C +ATOM 4496 NH1 ARG D 140 45.704 -37.837 1.106 1.00 46.71 N +ATOM 4497 NH2 ARG D 140 47.687 -37.351 0.012 1.00 51.38 N +ATOM 4498 N TYR D 141 41.861 -34.951 1.619 1.00 31.06 N +ATOM 4499 CA TYR D 141 40.997 -36.124 1.390 1.00 30.71 C +ATOM 4500 C TYR D 141 41.856 -37.363 1.387 1.00 29.38 C +ATOM 4501 O TYR D 141 42.930 -37.357 0.773 1.00 30.32 O +ATOM 4502 CB TYR D 141 40.230 -36.047 0.028 1.00 32.20 C +ATOM 4503 CG TYR D 141 38.944 -35.233 0.069 1.00 36.30 C +ATOM 4504 CD1 TYR D 141 38.934 -33.894 -0.339 1.00 40.45 C +ATOM 4505 CD2 TYR D 141 37.726 -35.796 0.538 1.00 40.46 C +ATOM 4506 CE1 TYR D 141 37.751 -33.116 -0.283 1.00 40.77 C +ATOM 4507 CE2 TYR D 141 36.516 -35.023 0.579 1.00 39.15 C +ATOM 4508 CZ TYR D 141 36.557 -33.685 0.173 1.00 41.23 C +ATOM 4509 OH TYR D 141 35.425 -32.902 0.162 1.00 40.73 O +ATOM 4510 N ARG D 142 41.363 -38.444 1.983 1.00 29.27 N +ATOM 4511 CA ARG D 142 41.956 -39.787 1.863 1.00 30.61 C +ATOM 4512 C ARG D 142 40.889 -40.769 1.470 1.00 31.03 C +ATOM 4513 O ARG D 142 39.915 -40.955 2.193 1.00 33.70 O +ATOM 4514 CB ARG D 142 42.524 -40.353 3.172 1.00 31.27 C +ATOM 4515 CG ARG D 142 43.716 -39.728 3.707 1.00 35.43 C +ATOM 4516 CD ARG D 142 45.062 -40.574 3.479 1.00 36.81 C +ATOM 4517 NE ARG D 142 46.093 -39.549 3.366 1.00 40.69 N +ATOM 4518 CZ ARG D 142 47.187 -39.368 4.120 1.00 40.21 C +ATOM 4519 NH1 ARG D 142 47.524 -40.186 5.107 1.00 38.39 N +ATOM 4520 NH2 ARG D 142 47.958 -38.325 3.833 1.00 38.98 N +ATOM 4521 N ALA D 143 41.099 -41.453 0.375 1.00 29.34 N +ATOM 4522 CA ALA D 143 40.139 -42.464 -0.054 1.00 30.47 C +ATOM 4523 C ALA D 143 40.723 -43.804 0.256 1.00 30.90 C +ATOM 4524 O ALA D 143 41.933 -43.949 0.365 1.00 31.18 O +ATOM 4525 CB ALA D 143 39.867 -42.335 -1.542 1.00 31.20 C +ATOM 4526 N GLY D 144 39.867 -44.801 0.352 1.00 30.88 N +ATOM 4527 CA GLY D 144 40.308 -46.172 0.285 1.00 30.82 C +ATOM 4528 C GLY D 144 40.895 -46.689 1.584 1.00 31.02 C +ATOM 4529 O GLY D 144 41.738 -47.552 1.572 1.00 30.82 O +ATOM 4530 N LEU D 145 40.391 -46.197 2.699 1.00 30.33 N +ATOM 4531 CA LEU D 145 40.828 -46.624 4.030 1.00 31.57 C +ATOM 4532 C LEU D 145 40.169 -47.937 4.507 1.00 31.66 C +ATOM 4533 O LEU D 145 39.006 -48.234 4.212 1.00 32.22 O +ATOM 4534 CB LEU D 145 40.582 -45.505 5.031 1.00 31.30 C +ATOM 4535 CG LEU D 145 41.256 -44.163 4.731 1.00 33.04 C +ATOM 4536 CD1 LEU D 145 40.799 -43.001 5.649 1.00 35.06 C +ATOM 4537 CD2 LEU D 145 42.805 -44.250 4.743 1.00 34.50 C +ATOM 4538 N ALA D 146 40.900 -48.672 5.336 1.00 32.52 N +ATOM 4539 CA ALA D 146 40.495 -50.009 5.768 1.00 32.59 C +ATOM 4540 C ALA D 146 39.514 -49.948 6.939 1.00 31.99 C +ATOM 4541 O ALA D 146 38.936 -50.970 7.263 1.00 33.17 O +ATOM 4542 CB ALA D 146 41.701 -50.834 6.190 1.00 33.24 C +ATOM 4543 N ALA D 147 39.249 -48.771 7.508 1.00 30.94 N +ATOM 4544 CA ALA D 147 38.317 -48.663 8.637 1.00 29.52 C +ATOM 4545 C ALA D 147 36.871 -48.807 8.105 1.00 28.32 C +ATOM 4546 O ALA D 147 36.650 -48.773 6.898 1.00 29.76 O +ATOM 4547 CB ALA D 147 38.469 -47.353 9.361 1.00 28.71 C +ATOM 4548 N SER D 148 35.921 -49.004 9.013 1.00 28.37 N +ATOM 4549 CA SER D 148 34.510 -49.161 8.659 1.00 26.99 C +ATOM 4550 C SER D 148 33.655 -48.395 9.644 1.00 27.03 C +ATOM 4551 O SER D 148 33.999 -48.327 10.821 1.00 27.93 O +ATOM 4552 CB SER D 148 34.081 -50.649 8.650 1.00 27.54 C +ATOM 4553 OG SER D 148 32.748 -50.799 8.216 1.00 26.51 O +ATOM 4554 N LEU D 149 32.507 -47.882 9.186 1.00 26.04 N +ATOM 4555 CA LEU D 149 31.467 -47.333 10.071 1.00 27.13 C +ATOM 4556 C LEU D 149 30.349 -48.355 10.367 1.00 28.23 C +ATOM 4557 O LEU D 149 29.364 -48.048 11.001 1.00 30.77 O +ATOM 4558 CB LEU D 149 30.851 -46.112 9.394 1.00 26.45 C +ATOM 4559 CG LEU D 149 31.845 -45.040 8.929 1.00 27.67 C +ATOM 4560 CD1 LEU D 149 31.098 -43.934 8.207 1.00 28.17 C +ATOM 4561 CD2 LEU D 149 32.595 -44.482 10.146 1.00 28.18 C +ATOM 4562 N ALA D 150 30.530 -49.584 9.938 1.00 30.13 N +ATOM 4563 CA ALA D 150 29.490 -50.605 10.026 1.00 30.12 C +ATOM 4564 C ALA D 150 30.148 -51.818 10.607 1.00 30.29 C +ATOM 4565 O ALA D 150 31.353 -51.982 10.519 1.00 30.32 O +ATOM 4566 CB ALA D 150 28.903 -50.934 8.624 1.00 30.97 C +ATOM 4567 N GLY D 151 29.353 -52.688 11.178 1.00 30.46 N +ATOM 4568 CA GLY D 151 29.817 -54.043 11.451 1.00 31.46 C +ATOM 4569 C GLY D 151 30.495 -54.143 12.779 1.00 32.20 C +ATOM 4570 O GLY D 151 30.593 -53.150 13.517 1.00 32.48 O +ATOM 4571 N PRO D 152 30.979 -55.343 13.121 1.00 32.49 N +ATOM 4572 CA PRO D 152 31.604 -55.508 14.440 1.00 32.78 C +ATOM 4573 C PRO D 152 32.862 -54.681 14.661 1.00 32.04 C +ATOM 4574 O PRO D 152 33.245 -54.427 15.813 1.00 32.76 O +ATOM 4575 CB PRO D 152 31.926 -57.020 14.464 1.00 33.35 C +ATOM 4576 CG PRO D 152 32.071 -57.379 13.036 1.00 33.37 C +ATOM 4577 CD PRO D 152 30.971 -56.621 12.368 1.00 33.76 C +ATOM 4578 N HIS D 153 33.505 -54.255 13.579 1.00 30.94 N +ATOM 4579 CA HIS D 153 34.700 -53.470 13.705 1.00 30.64 C +ATOM 4580 C HIS D 153 34.482 -51.988 13.424 1.00 29.09 C +ATOM 4581 O HIS D 153 35.442 -51.263 13.168 1.00 29.75 O +ATOM 4582 CB HIS D 153 35.776 -54.006 12.803 1.00 31.28 C +ATOM 4583 CG HIS D 153 36.162 -55.407 13.134 1.00 35.51 C +ATOM 4584 ND1 HIS D 153 36.880 -56.208 12.273 1.00 39.97 N +ATOM 4585 CD2 HIS D 153 35.893 -56.160 14.223 1.00 37.87 C +ATOM 4586 CE1 HIS D 153 37.071 -57.385 12.841 1.00 39.61 C +ATOM 4587 NE2 HIS D 153 36.460 -57.390 14.013 1.00 38.15 N +ATOM 4588 N SER D 154 33.262 -51.535 13.614 1.00 27.35 N +ATOM 4589 CA SER D 154 32.932 -50.152 13.389 1.00 26.32 C +ATOM 4590 C SER D 154 33.754 -49.233 14.295 1.00 24.85 C +ATOM 4591 O SER D 154 33.968 -49.542 15.459 1.00 26.31 O +ATOM 4592 CB SER D 154 31.477 -49.892 13.703 1.00 26.22 C +ATOM 4593 OG SER D 154 31.143 -48.508 13.554 1.00 26.48 O +ATOM 4594 N ILE D 155 34.185 -48.103 13.749 1.00 24.88 N +ATOM 4595 CA ILE D 155 34.907 -47.080 14.484 1.00 25.48 C +ATOM 4596 C ILE D 155 33.940 -46.039 15.051 1.00 24.40 C +ATOM 4597 O ILE D 155 34.355 -45.104 15.771 1.00 25.77 O +ATOM 4598 CB ILE D 155 35.979 -46.425 13.638 1.00 25.69 C +ATOM 4599 CG1 ILE D 155 35.407 -45.606 12.425 1.00 27.30 C +ATOM 4600 CG2 ILE D 155 37.051 -47.452 13.214 1.00 25.32 C +ATOM 4601 CD1 ILE D 155 36.459 -44.617 11.816 1.00 27.71 C +ATOM 4602 N VAL D 156 32.637 -46.206 14.784 1.00 25.23 N +ATOM 4603 CA VAL D 156 31.672 -45.291 15.412 1.00 25.56 C +ATOM 4604 C VAL D 156 31.692 -45.438 16.960 1.00 25.53 C +ATOM 4605 O VAL D 156 31.668 -46.574 17.533 1.00 24.77 O +ATOM 4606 CB VAL D 156 30.247 -45.508 14.857 1.00 26.24 C +ATOM 4607 CG1 VAL D 156 29.189 -44.684 15.617 1.00 26.41 C +ATOM 4608 CG2 VAL D 156 30.205 -45.258 13.348 1.00 27.79 C +ATOM 4609 N GLY D 157 31.765 -44.305 17.655 1.00 25.21 N +ATOM 4610 CA GLY D 157 31.892 -44.325 19.087 1.00 25.28 C +ATOM 4611 C GLY D 157 33.311 -44.481 19.606 1.00 25.32 C +ATOM 4612 O GLY D 157 33.511 -44.484 20.818 1.00 25.43 O +ATOM 4613 N ARG D 158 34.282 -44.621 18.690 1.00 25.41 N +ATOM 4614 CA ARG D 158 35.682 -44.695 19.084 1.00 25.62 C +ATOM 4615 C ARG D 158 36.324 -43.315 18.906 1.00 26.87 C +ATOM 4616 O ARG D 158 35.631 -42.333 18.652 1.00 27.38 O +ATOM 4617 CB ARG D 158 36.374 -45.831 18.316 1.00 25.39 C +ATOM 4618 CG ARG D 158 35.620 -47.153 18.471 1.00 25.93 C +ATOM 4619 CD ARG D 158 36.372 -48.367 18.039 1.00 28.48 C +ATOM 4620 NE ARG D 158 35.550 -49.553 18.213 1.00 27.31 N +ATOM 4621 CZ ARG D 158 35.432 -50.272 19.316 1.00 28.01 C +ATOM 4622 NH1 ARG D 158 36.132 -49.989 20.379 1.00 28.03 N +ATOM 4623 NH2 ARG D 158 34.638 -51.373 19.311 1.00 26.99 N +ATOM 4624 N ALA D 159 37.641 -43.201 19.075 1.00 26.65 N +ATOM 4625 CA ALA D 159 38.313 -41.872 19.110 1.00 28.48 C +ATOM 4626 C ALA D 159 39.196 -41.702 17.892 1.00 27.94 C +ATOM 4627 O ALA D 159 39.873 -42.671 17.494 1.00 29.19 O +ATOM 4628 CB ALA D 159 39.180 -41.724 20.406 1.00 27.79 C +ATOM 4629 N VAL D 160 39.221 -40.507 17.311 1.00 26.54 N +ATOM 4630 CA VAL D 160 40.295 -40.107 16.376 1.00 26.11 C +ATOM 4631 C VAL D 160 41.273 -39.296 17.197 1.00 26.10 C +ATOM 4632 O VAL D 160 40.856 -38.426 17.952 1.00 25.28 O +ATOM 4633 CB VAL D 160 39.772 -39.314 15.179 1.00 26.96 C +ATOM 4634 CG1 VAL D 160 40.926 -38.680 14.354 1.00 28.41 C +ATOM 4635 CG2 VAL D 160 38.899 -40.257 14.271 1.00 27.22 C +ATOM 4636 N VAL D 161 42.568 -39.587 17.048 1.00 26.29 N +ATOM 4637 CA VAL D 161 43.620 -38.929 17.810 1.00 25.75 C +ATOM 4638 C VAL D 161 44.679 -38.376 16.861 1.00 25.33 C +ATOM 4639 O VAL D 161 45.175 -39.071 15.981 1.00 27.87 O +ATOM 4640 CB VAL D 161 44.261 -39.810 18.911 1.00 26.37 C +ATOM 4641 CG1 VAL D 161 45.372 -38.987 19.652 1.00 25.69 C +ATOM 4642 CG2 VAL D 161 43.225 -40.332 19.912 1.00 27.83 C +ATOM 4643 N VAL D 162 44.944 -37.086 17.024 1.00 25.64 N +ATOM 4644 CA VAL D 162 45.962 -36.402 16.273 1.00 25.33 C +ATOM 4645 C VAL D 162 47.210 -36.272 17.143 1.00 26.00 C +ATOM 4646 O VAL D 162 47.129 -35.810 18.288 1.00 24.91 O +ATOM 4647 CB VAL D 162 45.532 -34.961 15.885 1.00 27.43 C +ATOM 4648 CG1 VAL D 162 46.617 -34.304 15.049 1.00 27.67 C +ATOM 4649 CG2 VAL D 162 44.172 -34.956 15.141 1.00 26.36 C +ATOM 4650 N HIS D 163 48.371 -36.680 16.597 1.00 25.31 N +ATOM 4651 CA HIS D 163 49.641 -36.678 17.312 1.00 24.94 C +ATOM 4652 C HIS D 163 50.535 -35.546 16.960 1.00 24.75 C +ATOM 4653 O HIS D 163 50.419 -34.946 15.878 1.00 25.40 O +ATOM 4654 CB HIS D 163 50.382 -37.976 17.022 1.00 26.00 C +ATOM 4655 CG HIS D 163 49.717 -39.153 17.625 1.00 26.04 C +ATOM 4656 ND1 HIS D 163 50.025 -39.609 18.888 1.00 26.56 N +ATOM 4657 CD2 HIS D 163 48.738 -39.973 17.152 1.00 31.46 C +ATOM 4658 CE1 HIS D 163 49.290 -40.675 19.156 1.00 30.67 C +ATOM 4659 NE2 HIS D 163 48.472 -40.883 18.136 1.00 28.56 N +ATOM 4660 N ALA D 164 51.485 -35.297 17.856 1.00 24.76 N +ATOM 4661 CA ALA D 164 52.525 -34.300 17.684 1.00 25.04 C +ATOM 4662 C ALA D 164 53.590 -34.741 16.696 1.00 26.26 C +ATOM 4663 O ALA D 164 54.287 -33.909 16.145 1.00 28.04 O +ATOM 4664 CB ALA D 164 53.205 -33.956 19.044 1.00 25.33 C +ATOM 4665 N GLY D 165 53.773 -36.058 16.551 1.00 26.27 N +ATOM 4666 CA GLY D 165 54.807 -36.572 15.694 1.00 26.87 C +ATOM 4667 C GLY D 165 54.386 -37.316 14.464 1.00 26.67 C +ATOM 4668 O GLY D 165 53.196 -37.557 14.204 1.00 25.47 O +ATOM 4669 N GLU D 166 55.428 -37.728 13.738 1.00 27.22 N +ATOM 4670 CA GLU D 166 55.290 -38.481 12.549 1.00 28.20 C +ATOM 4671 C GLU D 166 55.246 -39.960 12.930 1.00 27.12 C +ATOM 4672 O GLU D 166 56.025 -40.420 13.766 1.00 28.06 O +ATOM 4673 CB GLU D 166 56.522 -38.201 11.672 1.00 28.72 C +ATOM 4674 CG GLU D 166 56.408 -38.693 10.298 1.00 34.39 C +ATOM 4675 CD GLU D 166 57.663 -38.462 9.493 1.00 37.45 C +ATOM 4676 OE1 GLU D 166 58.207 -37.329 9.476 1.00 42.22 O +ATOM 4677 OE2 GLU D 166 58.118 -39.425 8.871 1.00 42.92 O +ATOM 4678 N ASP D 167 54.393 -40.709 12.243 1.00 27.86 N +ATOM 4679 CA ASP D 167 54.283 -42.153 12.339 1.00 27.96 C +ATOM 4680 C ASP D 167 55.411 -42.799 11.524 1.00 27.79 C +ATOM 4681 O ASP D 167 55.519 -42.565 10.303 1.00 26.88 O +ATOM 4682 CB ASP D 167 52.907 -42.567 11.740 1.00 27.39 C +ATOM 4683 CG ASP D 167 52.466 -43.977 12.116 1.00 27.91 C +ATOM 4684 OD1 ASP D 167 53.300 -44.915 12.170 1.00 28.76 O +ATOM 4685 OD2 ASP D 167 51.222 -44.157 12.289 1.00 29.82 O +ATOM 4686 N ASP D 168 56.248 -43.612 12.178 1.00 27.30 N +ATOM 4687 CA ASP D 168 57.376 -44.271 11.491 1.00 27.48 C +ATOM 4688 C ASP D 168 56.932 -45.566 10.771 1.00 27.03 C +ATOM 4689 O ASP D 168 57.746 -46.278 10.161 1.00 28.80 O +ATOM 4690 CB ASP D 168 58.586 -44.507 12.435 1.00 28.10 C +ATOM 4691 CG ASP D 168 58.339 -45.560 13.550 1.00 28.49 C +ATOM 4692 OD1 ASP D 168 57.409 -46.360 13.471 1.00 26.12 O +ATOM 4693 OD2 ASP D 168 59.135 -45.567 14.531 1.00 31.12 O +ATOM 4694 N LEU D 169 55.638 -45.878 10.888 1.00 27.80 N +ATOM 4695 CA LEU D 169 54.974 -46.909 10.091 1.00 29.14 C +ATOM 4696 C LEU D 169 55.541 -48.311 10.335 1.00 29.07 C +ATOM 4697 O LEU D 169 55.625 -49.134 9.424 1.00 31.05 O +ATOM 4698 CB LEU D 169 55.002 -46.541 8.604 1.00 29.05 C +ATOM 4699 CG LEU D 169 54.232 -45.274 8.206 1.00 31.27 C +ATOM 4700 CD1 LEU D 169 54.491 -44.981 6.711 1.00 33.15 C +ATOM 4701 CD2 LEU D 169 52.766 -45.348 8.505 1.00 31.54 C +ATOM 4702 N GLY D 170 55.951 -48.556 11.580 1.00 29.99 N +ATOM 4703 CA GLY D 170 56.579 -49.826 11.988 1.00 30.69 C +ATOM 4704 C GLY D 170 58.040 -50.026 11.628 1.00 31.06 C +ATOM 4705 O GLY D 170 58.532 -51.143 11.697 1.00 30.81 O +ATOM 4706 N ARG D 171 58.741 -48.953 11.268 1.00 31.52 N +ATOM 4707 CA ARG D 171 60.117 -49.060 10.765 1.00 33.07 C +ATOM 4708 C ARG D 171 61.167 -48.545 11.742 1.00 33.52 C +ATOM 4709 O ARG D 171 62.363 -48.576 11.436 1.00 33.97 O +ATOM 4710 CB ARG D 171 60.219 -48.347 9.418 1.00 33.35 C +ATOM 4711 CG ARG D 171 59.440 -49.073 8.311 1.00 35.56 C +ATOM 4712 CD ARG D 171 59.392 -48.263 7.033 0.50 37.77 C +ATOM 4713 NE ARG D 171 58.711 -48.995 5.969 0.50 39.20 N +ATOM 4714 CZ ARG D 171 59.263 -49.983 5.268 0.50 40.08 C +ATOM 4715 NH1 ARG D 171 60.518 -50.359 5.492 0.50 40.30 N +ATOM 4716 NH2 ARG D 171 58.553 -50.594 4.324 0.50 40.42 N +ATOM 4717 N GLY D 172 60.727 -48.131 12.924 1.00 33.90 N +ATOM 4718 CA GLY D 172 61.612 -47.630 13.980 1.00 34.43 C +ATOM 4719 C GLY D 172 62.216 -48.804 14.720 1.00 35.44 C +ATOM 4720 O GLY D 172 61.755 -49.939 14.572 1.00 35.46 O +ATOM 4721 N GLY D 173 63.261 -48.549 15.506 1.00 35.32 N +ATOM 4722 CA GLY D 173 63.972 -49.628 16.161 1.00 35.77 C +ATOM 4723 C GLY D 173 63.504 -50.046 17.548 1.00 35.99 C +ATOM 4724 O GLY D 173 64.224 -50.785 18.218 1.00 36.71 O +ATOM 4725 N ASN D 174 62.314 -49.634 17.970 1.00 35.78 N +ATOM 4726 CA ASN D 174 61.773 -49.996 19.277 1.00 35.73 C +ATOM 4727 C ASN D 174 60.410 -50.677 19.194 1.00 36.60 C +ATOM 4728 O ASN D 174 59.843 -50.814 18.109 1.00 35.23 O +ATOM 4729 CB ASN D 174 61.667 -48.769 20.183 1.00 35.55 C +ATOM 4730 CG ASN D 174 60.864 -47.639 19.579 1.00 36.29 C +ATOM 4731 OD1 ASN D 174 60.248 -47.781 18.519 1.00 36.19 O +ATOM 4732 ND2 ASN D 174 60.847 -46.483 20.286 1.00 35.62 N +ATOM 4733 N GLN D 175 59.899 -51.095 20.353 1.00 37.61 N +ATOM 4734 CA GLN D 175 58.569 -51.739 20.425 1.00 38.69 C +ATOM 4735 C GLN D 175 57.457 -50.804 20.056 1.00 36.99 C +ATOM 4736 O GLN D 175 56.524 -51.183 19.347 1.00 36.23 O +ATOM 4737 CB GLN D 175 58.286 -52.321 21.822 1.00 40.04 C +ATOM 4738 CG GLN D 175 58.313 -53.841 21.863 1.00 42.90 C +ATOM 4739 CD GLN D 175 57.414 -54.495 20.791 1.00 46.99 C +ATOM 4740 OE1 GLN D 175 57.847 -55.411 20.065 1.00 49.79 O +ATOM 4741 NE2 GLN D 175 56.171 -54.029 20.693 1.00 51.66 N +ATOM 4742 N ALA D 176 57.550 -49.568 20.528 1.00 36.27 N +ATOM 4743 CA ALA D 176 56.570 -48.562 20.193 1.00 34.18 C +ATOM 4744 C ALA D 176 56.324 -48.445 18.675 1.00 33.14 C +ATOM 4745 O ALA D 176 55.197 -48.158 18.257 1.00 33.54 O +ATOM 4746 CB ALA D 176 56.961 -47.190 20.788 1.00 33.44 C +ATOM 4747 N SER D 177 57.358 -48.648 17.852 1.00 31.80 N +ATOM 4748 CA SER D 177 57.233 -48.449 16.415 1.00 30.87 C +ATOM 4749 C SER D 177 56.129 -49.357 15.863 1.00 30.73 C +ATOM 4750 O SER D 177 55.331 -48.935 15.026 1.00 29.57 O +ATOM 4751 CB SER D 177 58.545 -48.736 15.705 1.00 31.72 C +ATOM 4752 OG SER D 177 58.388 -48.748 14.296 1.00 31.06 O +ATOM 4753 N VAL D 178 56.104 -50.606 16.345 1.00 31.21 N +ATOM 4754 CA VAL D 178 55.105 -51.574 15.895 1.00 31.29 C +ATOM 4755 C VAL D 178 53.847 -51.600 16.801 1.00 32.44 C +ATOM 4756 O VAL D 178 53.003 -52.504 16.688 1.00 33.34 O +ATOM 4757 CB VAL D 178 55.755 -52.985 15.714 1.00 31.76 C +ATOM 4758 CG1 VAL D 178 56.774 -52.959 14.559 1.00 30.23 C +ATOM 4759 CG2 VAL D 178 56.417 -53.420 16.984 1.00 32.00 C +ATOM 4760 N GLU D 179 53.683 -50.586 17.647 1.00 32.60 N +ATOM 4761 CA GLU D 179 52.434 -50.359 18.405 1.00 33.83 C +ATOM 4762 C GLU D 179 51.766 -49.038 17.995 1.00 33.03 C +ATOM 4763 O GLU D 179 50.546 -48.997 17.761 1.00 33.86 O +ATOM 4764 CB GLU D 179 52.679 -50.371 19.924 1.00 34.54 C +ATOM 4765 CG GLU D 179 53.028 -51.781 20.455 1.00 39.54 C +ATOM 4766 CD GLU D 179 53.880 -51.805 21.754 1.00 45.67 C +ATOM 4767 OE1 GLU D 179 54.024 -50.749 22.454 1.00 51.57 O +ATOM 4768 OE2 GLU D 179 54.434 -52.904 22.057 1.00 50.44 O +ATOM 4769 N ASN D 180 52.547 -47.967 17.884 1.00 31.89 N +ATOM 4770 CA ASN D 180 51.962 -46.678 17.550 1.00 31.59 C +ATOM 4771 C ASN D 180 52.789 -45.819 16.583 1.00 30.45 C +ATOM 4772 O ASN D 180 52.506 -44.611 16.390 1.00 31.49 O +ATOM 4773 CB ASN D 180 51.727 -45.905 18.839 1.00 33.57 C +ATOM 4774 CG ASN D 180 52.996 -45.803 19.690 1.00 36.03 C +ATOM 4775 OD1 ASN D 180 54.081 -45.449 19.186 1.00 37.66 O +ATOM 4776 ND2 ASN D 180 52.878 -46.157 20.980 1.00 41.20 N +ATOM 4777 N GLY D 181 53.852 -46.393 16.037 1.00 28.13 N +ATOM 4778 CA GLY D 181 54.653 -45.696 15.090 1.00 26.94 C +ATOM 4779 C GLY D 181 55.469 -44.613 15.730 1.00 26.64 C +ATOM 4780 O GLY D 181 56.004 -43.803 15.010 1.00 27.92 O +ATOM 4781 N ASN D 182 55.632 -44.604 17.060 1.00 26.80 N +ATOM 4782 CA ASN D 182 56.440 -43.533 17.713 1.00 25.31 C +ATOM 4783 C ASN D 182 55.885 -42.162 17.405 1.00 25.88 C +ATOM 4784 O ASN D 182 56.618 -41.173 17.280 1.00 28.50 O +ATOM 4785 CB ASN D 182 57.923 -43.630 17.248 1.00 26.54 C +ATOM 4786 CG ASN D 182 58.681 -44.689 17.968 1.00 26.08 C +ATOM 4787 OD1 ASN D 182 58.798 -44.621 19.185 1.00 31.41 O +ATOM 4788 ND2 ASN D 182 59.236 -45.681 17.228 1.00 28.98 N +ATOM 4789 N ALA D 183 54.563 -42.090 17.302 1.00 26.57 N +ATOM 4790 CA ALA D 183 53.886 -40.897 16.851 1.00 26.15 C +ATOM 4791 C ALA D 183 53.853 -39.799 17.920 1.00 26.19 C +ATOM 4792 O ALA D 183 53.483 -38.671 17.601 1.00 26.18 O +ATOM 4793 CB ALA D 183 52.528 -41.268 16.388 1.00 26.48 C +ATOM 4794 N GLY D 184 54.283 -40.090 19.151 1.00 25.82 N +ATOM 4795 CA GLY D 184 54.462 -39.027 20.143 1.00 26.44 C +ATOM 4796 C GLY D 184 53.181 -38.631 20.829 1.00 25.68 C +ATOM 4797 O GLY D 184 52.197 -39.392 20.913 1.00 25.59 O +ATOM 4798 N ARG D 185 53.178 -37.426 21.384 1.00 26.06 N +ATOM 4799 CA ARG D 185 52.117 -37.067 22.271 1.00 24.63 C +ATOM 4800 C ARG D 185 50.814 -36.899 21.535 1.00 24.27 C +ATOM 4801 O ARG D 185 50.763 -36.548 20.365 1.00 25.45 O +ATOM 4802 CB ARG D 185 52.498 -35.785 23.047 1.00 25.49 C +ATOM 4803 CG ARG D 185 53.673 -36.043 23.984 1.00 26.74 C +ATOM 4804 CD ARG D 185 54.317 -34.781 24.551 1.00 32.92 C +ATOM 4805 NE ARG D 185 53.539 -34.262 25.667 1.00 35.89 N +ATOM 4806 CZ ARG D 185 53.738 -33.076 26.244 1.00 36.76 C +ATOM 4807 NH1 ARG D 185 54.674 -32.243 25.826 1.00 34.00 N +ATOM 4808 NH2 ARG D 185 52.952 -32.715 27.247 1.00 38.34 N +ATOM 4809 N ARG D 186 49.733 -37.140 22.258 1.00 25.19 N +ATOM 4810 CA ARG D 186 48.343 -36.994 21.772 1.00 24.92 C +ATOM 4811 C ARG D 186 47.883 -35.541 21.947 1.00 26.07 C +ATOM 4812 O ARG D 186 47.778 -35.075 23.065 1.00 28.85 O +ATOM 4813 CB ARG D 186 47.459 -37.921 22.571 1.00 26.29 C +ATOM 4814 CG ARG D 186 47.774 -39.374 22.373 1.00 27.39 C +ATOM 4815 CD ARG D 186 46.982 -40.231 23.290 1.00 28.83 C +ATOM 4816 NE ARG D 186 47.511 -41.596 23.254 1.00 28.08 N +ATOM 4817 CZ ARG D 186 46.809 -42.677 23.622 1.00 29.25 C +ATOM 4818 NH1 ARG D 186 45.550 -42.563 24.020 1.00 28.79 N +ATOM 4819 NH2 ARG D 186 47.371 -43.878 23.545 1.00 31.63 N +ATOM 4820 N LEU D 187 47.744 -34.798 20.846 1.00 24.84 N +ATOM 4821 CA LEU D 187 47.469 -33.376 20.894 1.00 22.63 C +ATOM 4822 C LEU D 187 45.950 -33.078 20.983 1.00 24.06 C +ATOM 4823 O LEU D 187 45.526 -32.181 21.703 1.00 24.82 O +ATOM 4824 CB LEU D 187 47.989 -32.696 19.640 1.00 22.87 C +ATOM 4825 CG LEU D 187 49.490 -32.485 19.630 1.00 22.75 C +ATOM 4826 CD1 LEU D 187 49.859 -31.894 18.239 1.00 27.41 C +ATOM 4827 CD2 LEU D 187 50.003 -31.650 20.815 1.00 24.53 C +ATOM 4828 N ALA D 188 45.183 -33.817 20.192 1.00 24.26 N +ATOM 4829 CA ALA D 188 43.743 -33.507 20.003 1.00 24.77 C +ATOM 4830 C ALA D 188 42.975 -34.737 19.585 1.00 25.38 C +ATOM 4831 O ALA D 188 43.549 -35.678 19.036 1.00 26.98 O +ATOM 4832 CB ALA D 188 43.560 -32.359 18.964 1.00 25.01 C +ATOM 4833 N CYS D 189 41.688 -34.757 19.898 1.00 26.30 N +ATOM 4834 CA CYS D 189 40.879 -35.924 19.649 1.00 25.70 C +ATOM 4835 C CYS D 189 39.404 -35.613 19.678 1.00 26.08 C +ATOM 4836 O CYS D 189 38.976 -34.472 19.948 1.00 24.89 O +ATOM 4837 CB CYS D 189 41.141 -37.052 20.656 1.00 26.59 C +ATOM 4838 SG CYS D 189 40.981 -36.541 22.349 1.00 30.11 S +ATOM 4839 N CYS D 190 38.655 -36.651 19.372 1.00 26.31 N +ATOM 4840 CA CYS D 190 37.177 -36.563 19.323 1.00 26.40 C +ATOM 4841 C CYS D 190 36.594 -37.949 19.260 1.00 26.22 C +ATOM 4842 O CYS D 190 37.317 -38.906 18.950 1.00 27.76 O +ATOM 4843 CB CYS D 190 36.754 -35.797 18.102 1.00 27.62 C +ATOM 4844 SG CYS D 190 37.518 -36.332 16.575 1.00 30.98 S +ATOM 4845 N VAL D 191 35.296 -38.018 19.615 1.00 26.10 N +ATOM 4846 CA VAL D 191 34.515 -39.250 19.466 1.00 26.08 C +ATOM 4847 C VAL D 191 33.826 -39.269 18.108 1.00 25.59 C +ATOM 4848 O VAL D 191 33.227 -38.283 17.692 1.00 26.13 O +ATOM 4849 CB VAL D 191 33.450 -39.383 20.599 1.00 24.55 C +ATOM 4850 CG1 VAL D 191 32.665 -40.735 20.404 1.00 24.88 C +ATOM 4851 CG2 VAL D 191 34.071 -39.279 22.035 1.00 26.75 C +ATOM 4852 N VAL D 192 33.931 -40.390 17.388 1.00 25.38 N +ATOM 4853 CA VAL D 192 33.376 -40.551 16.050 1.00 24.84 C +ATOM 4854 C VAL D 192 31.861 -40.708 16.205 1.00 26.23 C +ATOM 4855 O VAL D 192 31.391 -41.631 16.863 1.00 26.70 O +ATOM 4856 CB VAL D 192 33.962 -41.763 15.305 1.00 25.82 C +ATOM 4857 CG1 VAL D 192 33.316 -41.888 13.928 1.00 24.42 C +ATOM 4858 CG2 VAL D 192 35.540 -41.631 15.171 1.00 24.47 C +ATOM 4859 N GLY D 193 31.135 -39.737 15.662 1.00 25.81 N +ATOM 4860 CA GLY D 193 29.690 -39.759 15.668 1.00 25.51 C +ATOM 4861 C GLY D 193 28.980 -39.957 14.350 1.00 24.84 C +ATOM 4862 O GLY D 193 29.468 -39.605 13.300 1.00 25.66 O +ATOM 4863 N VAL D 194 27.814 -40.583 14.430 1.00 25.31 N +ATOM 4864 CA VAL D 194 26.930 -40.730 13.304 1.00 26.28 C +ATOM 4865 C VAL D 194 26.462 -39.344 12.870 1.00 26.74 C +ATOM 4866 O VAL D 194 26.109 -38.506 13.694 1.00 26.34 O +ATOM 4867 CB VAL D 194 25.694 -41.585 13.664 1.00 26.73 C +ATOM 4868 CG1 VAL D 194 24.765 -41.696 12.408 1.00 27.86 C +ATOM 4869 CG2 VAL D 194 26.139 -42.985 14.114 1.00 30.59 C +ATOM 4870 N CYS D 195 26.534 -39.075 11.571 1.00 26.91 N +ATOM 4871 CA CYS D 195 26.040 -37.805 11.080 1.00 27.43 C +ATOM 4872 C CYS D 195 25.235 -37.949 9.780 1.00 26.75 C +ATOM 4873 O CYS D 195 25.125 -39.036 9.217 1.00 27.35 O +ATOM 4874 CB CYS D 195 27.131 -36.764 10.982 1.00 27.16 C +ATOM 4875 SG CYS D 195 28.291 -37.088 9.648 1.00 28.60 S +ATOM 4876 N GLY D 196 24.611 -36.854 9.350 1.00 27.00 N +ATOM 4877 CA GLY D 196 23.809 -36.881 8.132 1.00 27.07 C +ATOM 4878 C GLY D 196 24.741 -36.624 6.949 1.00 27.18 C +ATOM 4879 O GLY D 196 25.913 -36.422 7.162 1.00 26.21 O +ATOM 4880 N PRO D 197 24.203 -36.624 5.722 1.00 28.21 N +ATOM 4881 CA PRO D 197 25.051 -36.397 4.531 1.00 27.77 C +ATOM 4882 C PRO D 197 25.574 -34.968 4.339 1.00 28.13 C +ATOM 4883 O PRO D 197 26.437 -34.753 3.482 1.00 27.46 O +ATOM 4884 CB PRO D 197 24.138 -36.772 3.360 1.00 28.37 C +ATOM 4885 CG PRO D 197 22.759 -36.690 3.843 1.00 30.13 C +ATOM 4886 CD PRO D 197 22.802 -36.891 5.356 1.00 29.16 C +ATOM 4887 N GLY D 198 25.048 -33.984 5.080 1.00 27.67 N +ATOM 4888 CA GLY D 198 25.287 -32.611 4.683 1.00 29.39 C +ATOM 4889 C GLY D 198 26.695 -32.077 4.828 1.00 28.44 C +ATOM 4890 O GLY D 198 27.157 -31.328 3.940 1.00 28.74 O +ATOM 4891 N LEU D 199 27.393 -32.460 5.911 1.00 29.93 N +ATOM 4892 CA LEU D 199 28.776 -32.029 6.124 1.00 29.35 C +ATOM 4893 C LEU D 199 29.623 -32.419 4.907 1.00 28.65 C +ATOM 4894 O LEU D 199 30.376 -31.600 4.376 1.00 29.30 O +ATOM 4895 CB LEU D 199 29.362 -32.670 7.363 1.00 30.35 C +ATOM 4896 CG LEU D 199 28.929 -32.021 8.678 1.00 32.67 C +ATOM 4897 CD1 LEU D 199 29.433 -32.818 9.881 1.00 32.82 C +ATOM 4898 CD2 LEU D 199 29.436 -30.543 8.715 1.00 33.74 C +ATOM 4899 N TRP D 200 29.540 -33.692 4.542 1.00 26.96 N +ATOM 4900 CA TRP D 200 30.305 -34.234 3.407 1.00 28.40 C +ATOM 4901 C TRP D 200 29.939 -33.580 2.082 1.00 29.65 C +ATOM 4902 O TRP D 200 30.847 -33.125 1.316 1.00 30.03 O +ATOM 4903 CB TRP D 200 30.112 -35.751 3.307 1.00 27.51 C +ATOM 4904 CG TRP D 200 31.023 -36.332 2.259 1.00 26.30 C +ATOM 4905 CD1 TRP D 200 30.802 -36.421 0.910 1.00 28.13 C +ATOM 4906 CD2 TRP D 200 32.288 -36.924 2.507 1.00 26.97 C +ATOM 4907 NE1 TRP D 200 31.886 -37.046 0.294 1.00 27.47 N +ATOM 4908 CE2 TRP D 200 32.815 -37.347 1.254 1.00 26.41 C +ATOM 4909 CE3 TRP D 200 33.036 -37.133 3.674 1.00 30.71 C +ATOM 4910 CZ2 TRP D 200 34.071 -37.976 1.152 1.00 29.48 C +ATOM 4911 CZ3 TRP D 200 34.279 -37.770 3.579 1.00 31.08 C +ATOM 4912 CH2 TRP D 200 34.781 -38.162 2.340 1.00 28.92 C +ATOM 4913 N GLU D 201 28.618 -33.487 1.809 1.00 31.72 N +ATOM 4914 CA GLU D 201 28.085 -32.864 0.591 0.70 32.84 C +ATOM 4915 C GLU D 201 28.611 -31.435 0.471 1.00 33.24 C +ATOM 4916 O GLU D 201 29.089 -31.038 -0.585 1.00 33.22 O +ATOM 4917 CB GLU D 201 26.531 -32.821 0.591 0.70 33.31 C +ATOM 4918 CG GLU D 201 25.817 -34.134 0.289 0.70 34.98 C +ATOM 4919 CD GLU D 201 24.262 -34.101 0.508 0.70 39.38 C +ATOM 4920 OE1 GLU D 201 23.720 -33.283 1.319 0.70 41.41 O +ATOM 4921 OE2 GLU D 201 23.581 -34.948 -0.122 0.70 41.05 O +ATOM 4922 N ARG D 202 28.520 -30.676 1.567 1.00 33.84 N +ATOM 4923 CA ARG D 202 28.945 -29.260 1.567 1.00 35.18 C +ATOM 4924 C ARG D 202 30.413 -29.169 1.304 1.00 34.87 C +ATOM 4925 O ARG D 202 30.838 -28.325 0.506 1.00 35.91 O +ATOM 4926 CB ARG D 202 28.582 -28.528 2.875 1.00 35.77 C +ATOM 4927 CG ARG D 202 27.048 -28.340 3.033 1.00 38.38 C +ATOM 4928 CD ARG D 202 26.616 -27.423 4.228 1.00 40.92 C +ATOM 4929 NE ARG D 202 26.936 -27.952 5.566 1.00 45.86 N +ATOM 4930 CZ ARG D 202 26.183 -28.807 6.258 1.00 46.92 C +ATOM 4931 NH1 ARG D 202 25.035 -29.255 5.776 1.00 48.97 N +ATOM 4932 NH2 ARG D 202 26.580 -29.202 7.461 1.00 49.56 N +ATOM 4933 N GLN D 203 31.191 -30.050 1.922 0.50 34.27 N +ATOM 4934 CA GLN D 203 32.628 -30.012 1.756 0.50 34.05 C +ATOM 4935 C GLN D 203 33.034 -30.398 0.350 0.50 34.93 C +ATOM 4936 O GLN D 203 33.963 -29.830 -0.213 0.50 34.06 O +ATOM 4937 CB GLN D 203 33.295 -30.942 2.756 0.50 33.48 C +ATOM 4938 CG GLN D 203 34.783 -30.894 2.680 0.50 32.78 C +ATOM 4939 CD GLN D 203 35.316 -29.520 2.991 0.50 33.22 C +ATOM 4940 OE1 GLN D 203 35.022 -28.963 4.043 0.50 33.56 O +ATOM 4941 NE2 GLN D 203 36.101 -28.961 2.074 0.50 35.88 N +ATOM 4942 N ALA D 204 32.330 -31.380 -0.212 1.00 36.55 N +ATOM 4943 CA ALA D 204 32.519 -31.784 -1.609 1.00 37.30 C +ATOM 4944 C ALA D 204 32.202 -30.637 -2.602 1.00 38.27 C +ATOM 4945 O ALA D 204 32.794 -30.588 -3.696 1.00 39.48 O +ATOM 4946 CB ALA D 204 31.664 -33.027 -1.919 1.00 37.95 C +ATOM 4947 N ARG D 205 31.310 -29.706 -2.251 0.50 37.87 N +ATOM 4948 CA ARG D 205 31.065 -28.530 -3.127 0.50 38.07 C +ATOM 4949 C ARG D 205 32.260 -27.592 -3.150 0.50 37.64 C +ATOM 4950 O ARG D 205 33.203 -27.774 -2.392 0.50 37.75 O +ATOM 4951 CB ARG D 205 29.835 -27.746 -2.686 0.50 38.06 C +ATOM 4952 CG ARG D 205 28.542 -28.399 -3.066 0.50 39.16 C +ATOM 4953 CD ARG D 205 27.367 -27.722 -2.411 0.50 41.06 C +ATOM 4954 NE ARG D 205 26.277 -28.673 -2.254 0.50 43.43 N +ATOM 4955 CZ ARG D 205 25.318 -28.599 -1.334 0.50 45.26 C +ATOM 4956 NH1 ARG D 205 25.276 -27.597 -0.463 0.50 45.33 N +ATOM 4957 NH2 ARG D 205 24.386 -29.545 -1.291 0.50 46.49 N +TER 4958 ARG D 205 +HETATM 4959 CU CU _ 1 17.462 1.731 21.738 0.70 31.79 CU +HETATM 4960 ZN ZN _ 2 16.287 8.084 20.148 1.00 28.74 ZN +HETATM 4961 CU CU _ 3 47.735 -8.724 25.461 0.60 30.38 CU +HETATM 4962 ZN ZN _ 4 52.792 -3.945 25.179 1.00 27.44 ZN +HETATM 4963 S SCN _ 5 49.821 -9.847 23.399 0.50 32.61 S +HETATM 4964 C SCN _ 5 50.181 -10.080 21.628 0.50 33.02 C +HETATM 4965 N SCN _ 5 50.384 -10.218 20.472 0.50 31.73 N +HETATM 4966 CU CU _ 6 16.867 -32.877 23.446 0.55 28.26 CU +HETATM 4967 ZN ZN _ 7 11.793 -37.575 22.240 1.00 27.99 ZN +HETATM 4968 S SCN _ 8 14.752 -31.432 21.628 0.50 31.36 S +HETATM 4969 C SCN _ 8 14.531 -30.771 19.953 0.50 31.39 C +HETATM 4970 N SCN _ 8 14.468 -30.347 18.845 0.50 30.72 N +HETATM 4971 CU CU _ 9 47.137 -42.380 17.450 0.60 31.65 CU +HETATM 4972 ZN ZN _ 10 48.251 -48.359 14.700 1.00 29.81 ZN +HETATM 4973 O HOH - 1 39.694 10.800 10.425 1.00 45.96 O +HETATM 4974 O HOH - 2 38.024 3.795 3.107 1.00 56.45 O +HETATM 4975 O HOH - 3 42.086 6.752 9.676 1.00 55.16 O +HETATM 4976 O HOH - 4 40.161 3.012 9.650 1.00 35.13 O +HETATM 4977 O HOH - 5 37.196 4.530 14.478 1.00 36.82 O +HETATM 4978 O HOH - 6 33.782 -1.323 10.109 1.00 18.43 O +HETATM 4979 O HOH - 7 29.407 -7.855 22.762 1.00 18.08 O +HETATM 4980 O HOH - 8 33.608 -6.722 15.881 1.00 23.15 O +HETATM 4981 O HOH - 9 31.271 -10.629 13.283 1.00 30.46 O +HETATM 4982 O HOH - 10 25.206 -8.175 25.419 1.00 23.20 O +HETATM 4983 O HOH - 11 28.449 -13.627 23.981 1.00 23.61 O +HETATM 4984 O HOH - 12 27.447 -15.961 20.862 1.00 27.58 O +HETATM 4985 O HOH - 13 27.898 -14.954 17.712 1.00 37.10 O +HETATM 4986 O HOH - 14 25.427 -12.628 25.700 1.00 25.82 O +HETATM 4987 O HOH - 15 20.555 -13.961 28.876 1.00 17.99 O +HETATM 4988 O HOH - 16 24.772 -8.432 28.216 1.00 30.69 O +HETATM 4989 O HOH - 17 14.457 -10.877 32.936 1.00 47.24 O +HETATM 4990 O HOH - 18 16.053 -7.309 30.737 1.00 47.92 O +HETATM 4991 O HOH - 19 15.955 -12.822 33.850 1.00 53.83 O +HETATM 4992 O HOH - 20 41.982 3.064 7.451 1.00 65.93 O +HETATM 4993 O HOH - 21 17.574 -16.845 29.578 1.00 40.78 O +HETATM 4994 O HOH - 22 19.347 -14.155 31.877 1.00 43.29 O +HETATM 4995 O HOH - 23 40.629 4.492 13.589 1.00 47.92 O +HETATM 4996 O HOH - 24 16.464 -15.961 26.213 1.00 16.80 O +HETATM 4997 O HOH - 25 28.003 -8.733 25.032 1.00 19.96 O +HETATM 4998 O HOH - 26 31.155 -10.060 22.702 1.00 26.79 O +HETATM 4999 O HOH - 27 28.374 -11.854 13.057 1.00 48.44 O +HETATM 5000 O HOH - 28 32.248 -9.814 11.109 1.00 62.21 O +HETATM 5001 O HOH - 29 13.879 -17.217 32.376 1.00 36.80 O +HETATM 5002 O HOH - 30 13.374 -21.045 24.789 1.00 39.29 O +HETATM 5003 O HOH - 31 30.896 -14.166 22.750 1.00 26.39 O +HETATM 5004 O HOH - 32 30.138 -16.215 20.856 1.00 32.49 O +HETATM 5005 O HOH - 33 27.613 -13.482 15.516 1.00 34.19 O +HETATM 5006 O HOH - 34 31.022 -14.855 18.069 1.00 37.58 O +HETATM 5007 O HOH - 35 12.095 -16.927 21.404 1.00 44.98 O +HETATM 5008 O HOH - 36 8.126 -16.338 24.119 1.00 42.18 O +HETATM 5009 O HOH - 37 10.736 -17.067 30.510 1.00 36.05 O +HETATM 5010 O HOH - 38 9.413 -20.030 26.998 1.00 54.00 O +HETATM 5011 O HOH - 39 11.145 -9.703 24.018 1.00 19.95 O +HETATM 5012 O HOH - 40 14.700 -7.584 27.663 1.00 24.40 O +HETATM 5013 O HOH - 41 18.481 -11.305 22.303 1.00 15.39 O +HETATM 5014 O HOH - 42 8.910 -7.945 23.910 1.00 27.89 O +HETATM 5015 O HOH - 43 21.048 -16.991 19.259 1.00 38.82 O +HETATM 5016 O HOH - 44 20.216 -17.651 29.728 1.00 37.17 O +HETATM 5017 O HOH - 45 18.917 -18.056 18.970 1.00 34.56 O +HETATM 5018 O HOH - 46 20.138 -18.921 32.458 1.00 47.15 O +HETATM 5019 O HOH - 47 21.591 -16.173 17.227 1.00 41.44 O +HETATM 5020 O HOH - 48 24.955 -14.031 14.192 1.00 26.12 O +HETATM 5021 O HOH - 49 22.266 21.632 17.012 1.00 56.34 O +HETATM 5022 O HOH - 50 28.329 -11.186 17.429 1.00 24.67 O +HETATM 5023 O HOH - 51 30.406 9.795 3.053 1.00 41.27 O +HETATM 5024 O HOH - 52 36.137 2.060 3.768 1.00 29.34 O +HETATM 5025 O HOH - 53 5.810 15.819 20.209 1.00 54.80 O +HETATM 5026 O HOH - 54 12.708 8.158 9.527 1.00 36.55 O +HETATM 5027 O HOH - 55 22.201 18.218 14.953 1.00 45.13 O +HETATM 5028 O HOH - 56 20.329 20.357 18.064 1.00 39.48 O +HETATM 5029 O HOH - 57 38.376 8.998 3.226 1.00 48.37 O +HETATM 5030 O HOH - 58 39.233 11.553 5.473 1.00 50.09 O +HETATM 5031 O HOH - 59 8.226 -16.557 19.604 1.00 43.18 O +HETATM 5032 O HOH - 60 29.958 14.077 12.096 1.00 52.96 O +HETATM 5033 O HOH - 61 36.190 16.185 7.619 1.00 47.09 O +HETATM 5034 O HOH - 62 18.969 11.465 28.805 1.00 36.10 O +HETATM 5035 O HOH - 63 22.605 0.237 35.423 1.00 45.98 O +HETATM 5036 O HOH - 64 25.959 2.245 37.895 1.00 51.67 O +HETATM 5037 O HOH - 65 28.179 11.767 3.421 1.00 38.94 O +HETATM 5038 O HOH - 66 30.796 7.895 5.135 1.00 23.33 O +HETATM 5039 O HOH - 67 23.281 -8.992 34.795 1.00 51.23 O +HETATM 5040 O HOH - 68 43.324 1.025 10.943 1.00 43.95 O +HETATM 5041 O HOH - 69 26.720 7.954 4.321 1.00 23.84 O +HETATM 5042 O HOH - 70 27.730 12.689 27.179 1.00 40.66 O +HETATM 5043 O HOH - 71 25.122 13.110 26.650 1.00 47.29 O +HETATM 5044 O HOH - 72 19.105 15.668 27.936 1.00 33.84 O +HETATM 5045 O HOH - 73 25.221 -12.189 11.843 1.00 36.75 O +HETATM 5046 O HOH - 74 8.844 16.067 19.849 1.00 34.52 O +HETATM 5047 O HOH - 75 21.527 -11.829 8.551 1.00 31.35 O +HETATM 5048 O HOH - 76 20.125 -18.465 12.471 1.00 50.84 O +HETATM 5049 O HOH - 77 20.625 -18.153 15.383 1.00 46.88 O +HETATM 5050 O HOH - 78 24.118 -13.194 9.682 0.50 28.45 O +HETATM 5051 O HOH - 79 11.854 9.936 11.664 1.00 55.02 O +HETATM 5052 O HOH - 80 15.923 14.575 13.279 1.00 59.36 O +HETATM 5053 O HOH - 81 22.992 14.842 16.491 1.00 33.47 O +HETATM 5054 O HOH - 82 20.171 17.764 16.951 1.00 31.99 O +HETATM 5055 O HOH - 83 14.036 6.217 10.683 1.00 32.31 O +HETATM 5056 O HOH - 84 18.281 -16.617 12.647 1.00 33.68 O +HETATM 5057 O HOH - 85 13.835 -17.129 18.630 1.00 47.99 O +HETATM 5058 O HOH - 86 7.470 3.910 10.175 1.00 47.42 O +HETATM 5059 O HOH - 87 11.257 -13.736 11.342 1.00 26.28 O +HETATM 5060 O HOH - 88 7.088 -18.718 9.690 1.00 66.39 O +HETATM 5061 O HOH - 89 6.924 -15.381 17.856 1.00 53.23 O +HETATM 5062 O HOH - 90 8.820 -12.762 14.372 1.00 40.23 O +HETATM 5063 O HOH - 91 19.447 12.421 9.790 1.00 57.74 O +HETATM 5064 O HOH - 92 5.765 -9.707 14.068 1.00 58.37 O +HETATM 5065 O HOH - 93 34.438 15.823 14.326 1.00 46.54 O +HETATM 5066 O HOH - 94 38.263 6.631 18.470 1.00 41.71 O +HETATM 5067 O HOH - 95 10.965 -11.812 13.682 1.00 33.45 O +HETATM 5068 O HOH - 96 9.143 -5.350 7.970 1.00 46.31 O +HETATM 5069 O HOH - 97 35.545 15.736 23.467 1.00 61.78 O +HETATM 5070 O HOH - 98 34.176 11.867 23.666 1.00 74.22 O +HETATM 5071 O HOH - 99 6.907 -6.220 13.757 1.00 49.36 O +HETATM 5072 O HOH - 100 10.645 -2.840 9.255 1.00 49.64 O +HETATM 5073 O HOH - 101 9.915 -11.995 19.256 1.00 34.07 O +HETATM 5074 O HOH - 102 10.384 -10.430 21.054 1.00 28.27 O +HETATM 5075 O HOH - 103 30.302 10.303 29.866 1.00 43.89 O +HETATM 5076 O HOH - 104 5.432 -2.287 19.473 1.00 45.91 O +HETATM 5077 O HOH - 105 19.910 6.742 19.769 1.00 23.35 O +HETATM 5078 O HOH - 106 7.964 7.106 8.647 1.00 58.41 O +HETATM 5079 O HOH - 107 22.519 8.584 31.807 1.00 47.66 O +HETATM 5080 O HOH - 108 21.491 11.626 28.396 1.00 45.34 O +HETATM 5081 O HOH - 109 31.035 -2.608 29.206 1.00 17.34 O +HETATM 5082 O HOH - 110 27.159 3.447 33.584 1.00 29.00 O +HETATM 5083 O HOH - 111 25.757 0.555 35.575 1.00 36.93 O +HETATM 5084 O HOH - 112 8.326 -4.270 29.076 1.00 52.49 O +HETATM 5085 O HOH - 113 26.963 -8.841 29.390 1.00 31.46 O +HETATM 5086 O HOH - 114 28.856 -7.831 29.691 1.00 39.39 O +HETATM 5087 O HOH - 115 24.503 -7.176 37.148 1.00 75.90 O +HETATM 5088 O HOH - 116 25.466 -2.171 37.116 1.00 47.28 O +HETATM 5089 O HOH - 117 25.642 -8.378 32.895 1.00 53.78 O +HETATM 5090 O HOH - 118 28.098 -7.727 36.032 1.00 49.54 O +HETATM 5091 O HOH - 119 19.449 -5.504 36.113 1.00 42.00 O +HETATM 5092 O HOH - 120 42.819 2.323 13.102 1.00 56.99 O +HETATM 5093 O HOH - 121 14.636 -4.106 28.352 1.00 22.53 O +HETATM 5094 O HOH - 122 18.119 -6.257 28.325 1.00 21.13 O +HETATM 5095 O HOH - 123 20.170 2.242 31.911 1.00 48.59 O +HETATM 5096 O HOH - 124 34.067 -11.881 10.676 1.00 41.71 O +HETATM 5097 O HOH - 125 31.210 -12.841 7.679 1.00 55.74 O +HETATM 5098 O HOH - 126 45.076 -2.497 6.733 1.00 58.59 O +HETATM 5099 O HOH - 127 24.415 2.904 33.413 1.00 40.69 O +HETATM 5100 O HOH - 128 15.210 2.704 24.181 1.00 27.50 O +HETATM 5101 O HOH - 129 18.256 10.509 25.877 1.00 27.83 O +HETATM 5102 O HOH - 130 28.905 13.638 24.747 1.00 25.54 O +HETATM 5103 O HOH - 131 21.422 14.701 20.733 1.00 20.39 O +HETATM 5104 O HOH - 132 17.738 13.757 27.907 1.00 46.68 O +HETATM 5105 O HOH - 133 23.212 11.202 26.443 1.00 22.87 O +HETATM 5106 O HOH - 134 21.665 15.040 27.227 1.00 39.77 O +HETATM 5107 O HOH - 135 18.224 21.478 22.725 1.00 55.95 O +HETATM 5108 O HOH - 136 17.054 20.798 25.664 1.00 50.34 O +HETATM 5109 O HOH - 137 14.691 19.111 24.143 1.00 36.20 O +HETATM 5110 O HOH - 138 9.855 13.982 18.212 1.00 24.33 O +HETATM 5111 O HOH - 139 14.682 9.660 12.768 1.00 35.77 O +HETATM 5112 O HOH - 140 20.886 15.403 18.018 1.00 24.51 O +HETATM 5113 O HOH - 141 11.059 15.499 16.461 1.00 32.35 O +HETATM 5114 O HOH - 142 19.455 13.769 13.551 1.00 47.52 O +HETATM 5115 O HOH - 143 17.715 17.952 15.585 1.00 37.66 O +HETATM 5116 O HOH - 144 18.184 11.264 14.290 1.00 24.26 O +HETATM 5117 O HOH - 145 14.894 12.202 24.245 1.00 29.14 O +HETATM 5118 O HOH - 146 21.297 8.100 12.609 1.00 30.40 O +HETATM 5119 O HOH - 147 21.925 8.422 19.771 1.00 16.49 O +HETATM 5120 O HOH - 148 14.968 7.181 13.190 1.00 24.21 O +HETATM 5121 O HOH - 149 18.628 9.361 12.370 1.00 31.86 O +HETATM 5122 O HOH - 150 13.087 3.710 10.090 1.00 27.87 O +HETATM 5123 O HOH - 151 10.235 2.921 9.983 1.00 31.20 O +HETATM 5124 O HOH - 152 12.069 -1.073 8.050 1.00 52.80 O +HETATM 5125 O HOH - 153 15.834 -3.079 6.727 1.00 13.72 O +HETATM 5126 O HOH - 154 16.821 -6.029 7.399 1.00 38.96 O +HETATM 5127 O HOH - 155 15.284 -9.479 6.231 1.00 47.71 O +HETATM 5128 O HOH - 156 10.013 -7.835 7.069 1.00 52.11 O +HETATM 5129 O HOH - 157 15.896 -13.061 5.665 1.00 50.33 O +HETATM 5130 O HOH - 158 16.972 -16.982 10.723 1.00 48.88 O +HETATM 5131 O HOH - 159 9.986 -17.854 8.120 1.00 63.54 O +HETATM 5132 O HOH - 160 16.821 -16.637 7.674 1.00 54.89 O +HETATM 5133 O HOH - 161 20.503 -12.930 6.155 1.00 40.06 O +HETATM 5134 O HOH - 162 18.562 -5.329 2.700 1.00 39.18 O +HETATM 5135 O HOH - 163 25.954 -11.966 6.710 1.00 49.87 O +HETATM 5136 O HOH - 164 16.897 -7.881 6.284 1.00 55.54 O +HETATM 5137 O HOH - 165 14.005 0.897 2.722 1.00 49.66 O +HETATM 5138 O HOH - 166 16.228 4.099 4.840 1.00 51.34 O +HETATM 5139 O HOH - 167 15.001 2.116 6.645 1.00 48.75 O +HETATM 5140 O HOH - 168 18.494 5.389 4.753 1.00 49.45 O +HETATM 5141 O HOH - 169 19.689 6.889 6.621 1.00 39.47 O +HETATM 5142 O HOH - 170 20.277 4.031 3.611 1.00 31.95 O +HETATM 5143 O HOH - 171 21.801 12.219 8.862 1.00 40.08 O +HETATM 5144 O HOH - 172 26.813 13.109 15.446 1.00 23.43 O +HETATM 5145 O HOH - 173 24.960 14.622 12.424 1.00 76.98 O +HETATM 5146 O HOH - 174 28.220 11.880 10.813 1.00 38.85 O +HETATM 5147 O HOH - 175 32.567 14.082 13.348 1.00 43.73 O +HETATM 5148 O HOH - 176 37.160 6.332 15.760 1.00 36.09 O +HETATM 5149 O HOH - 177 31.210 14.401 17.001 1.00 25.16 O +HETATM 5150 O HOH - 178 35.860 11.604 20.248 1.00 42.92 O +HETATM 5151 O HOH - 179 37.794 11.628 18.019 1.00 60.31 O +HETATM 5152 O HOH - 180 32.547 14.752 24.467 1.00 51.28 O +HETATM 5153 O HOH - 181 36.596 15.576 20.571 1.00 54.06 O +HETATM 5154 O HOH - 182 28.084 19.067 22.664 1.00 62.37 O +HETATM 5155 O HOH - 183 27.294 10.764 16.991 1.00 20.54 O +HETATM 5156 O HOH - 184 25.483 14.961 17.034 1.00 37.48 O +HETATM 5157 O HOH - 185 29.071 16.069 24.112 1.00 51.12 O +HETATM 5158 O HOH - 186 36.118 8.743 19.210 1.00 32.44 O +HETATM 5159 O HOH - 187 31.506 11.019 22.603 1.00 23.07 O +HETATM 5160 O HOH - 188 33.659 8.208 22.686 1.00 36.94 O +HETATM 5161 O HOH - 189 28.195 10.401 28.207 1.00 25.83 O +HETATM 5162 O HOH - 190 31.769 10.844 27.193 1.00 32.42 O +HETATM 5163 O HOH - 191 7.672 -6.583 19.944 1.00 30.89 O +HETATM 5164 O HOH - 192 8.254 -4.459 21.777 1.00 24.85 O +HETATM 5165 O HOH - 193 6.462 -3.458 17.603 1.00 30.98 O +HETATM 5166 O HOH - 194 4.734 -2.692 15.372 1.00 48.85 O +HETATM 5167 O HOH - 195 5.973 0.644 18.621 1.00 30.90 O +HETATM 5168 O HOH - 196 6.961 3.185 12.800 1.00 38.79 O +HETATM 5169 O HOH - 197 15.369 5.448 15.422 1.00 20.47 O +HETATM 5170 O HOH - 198 5.454 6.373 13.130 1.00 43.20 O +HETATM 5171 O HOH - 199 7.263 13.575 17.579 1.00 33.48 O +HETATM 5172 O HOH - 200 6.524 8.415 10.496 1.00 47.17 O +HETATM 5173 O HOH - 201 -0.976 10.821 13.994 1.00 69.05 O +HETATM 5174 O HOH - 202 6.952 13.502 15.019 1.00 74.35 O +HETATM 5175 O HOH - 203 4.150 11.674 20.005 1.00 37.34 O +HETATM 5176 O HOH - 204 -1.026 6.482 25.983 1.00 41.39 O +HETATM 5177 O HOH - 205 4.461 12.178 23.019 1.00 39.34 O +HETATM 5178 O HOH - 206 3.045 9.328 28.862 1.00 33.04 O +HETATM 5179 O HOH - 207 5.290 6.840 28.422 1.00 25.03 O +HETATM 5180 O HOH - 208 15.647 9.378 27.110 1.00 29.43 O +HETATM 5181 O HOH - 209 15.065 13.003 27.569 1.00 31.71 O +HETATM 5182 O HOH - 210 15.892 7.310 25.634 1.00 24.28 O +HETATM 5183 O HOH - 211 9.682 2.848 27.583 1.00 49.68 O +HETATM 5184 O HOH - 212 6.917 1.432 25.187 1.00 38.92 O +HETATM 5185 O HOH - 213 7.068 -2.021 21.783 1.00 28.25 O +HETATM 5186 O HOH - 214 12.766 0.935 24.591 1.00 31.18 O +HETATM 5187 O HOH - 215 10.012 1.495 24.774 1.00 32.03 O +HETATM 5188 O HOH - 216 10.231 -1.946 27.501 1.00 48.39 O +HETATM 5189 O HOH - 217 14.328 -9.454 30.456 1.00 43.91 O +HETATM 5190 O HOH - 218 8.912 -5.226 24.255 1.00 19.99 O +HETATM 5191 O HOH - 219 13.408 -6.162 29.640 1.00 46.86 O +HETATM 5192 O HOH - 220 15.499 4.669 26.369 1.00 32.72 O +HETATM 5193 O HOH - 221 14.298 0.579 26.881 1.00 36.05 O +HETATM 5194 O HOH - 222 17.487 3.884 30.381 1.00 29.96 O +HETATM 5195 O HOH - 223 31.637 -5.036 20.357 1.00 12.05 O +HETATM 5196 O HOH - 224 30.842 -5.540 23.094 1.00 13.34 O +HETATM 5197 O HOH - 225 39.435 2.988 12.441 1.00 37.04 O +HETATM 5198 O HOH - 226 38.376 -4.675 10.635 1.00 37.37 O +HETATM 5199 O HOH - 227 36.882 -0.636 4.454 1.00 43.10 O +HETATM 5200 O HOH - 228 41.941 -4.609 9.230 1.00 24.90 O +HETATM 5201 O HOH - 229 33.490 -8.917 7.498 1.00 27.38 O +HETATM 5202 O HOH - 230 30.931 -3.649 4.191 1.00 24.74 O +HETATM 5203 O HOH - 231 35.929 -2.483 8.844 1.00 18.24 O +HETATM 5204 O HOH - 232 42.682 -1.600 3.484 1.00 64.26 O +HETATM 5205 O HOH - 233 35.296 -4.251 -0.439 1.00 48.70 O +HETATM 5206 O HOH - 234 40.588 -7.095 9.799 1.00 53.20 O +HETATM 5207 O HOH - 235 34.850 -11.398 1.413 1.00 42.38 O +HETATM 5208 O HOH - 236 41.029 -8.632 5.119 1.00 45.61 O +HETATM 5209 O HOH - 237 35.404 -10.767 8.067 1.00 35.53 O +HETATM 5210 O HOH - 238 32.548 -10.926 5.693 1.00 44.70 O +HETATM 5211 O HOH - 239 27.746 -11.214 8.361 1.00 49.87 O +HETATM 5212 O HOH - 240 26.849 -11.521 4.513 1.00 41.20 O +HETATM 5213 O HOH - 241 27.985 -7.462 1.377 1.00 29.36 O +HETATM 5214 O HOH - 242 31.052 -8.697 8.857 1.00 36.68 O +HETATM 5215 O HOH - 243 33.233 -4.461 -3.275 1.00 52.31 O +HETATM 5216 O HOH - 244 35.775 12.356 40.545 1.00 43.54 O +HETATM 5217 O HOH - 245 33.452 15.029 37.345 1.00 55.43 O +HETATM 5218 O HOH - 246 32.260 10.225 34.201 1.00 34.72 O +HETATM 5219 O HOH - 247 35.063 7.754 29.169 1.00 31.39 O +HETATM 5220 O HOH - 248 34.631 3.248 35.847 1.00 19.97 O +HETATM 5221 O HOH - 249 32.408 -8.173 26.613 1.00 17.62 O +HETATM 5222 O HOH - 250 30.540 -2.978 32.038 1.00 24.23 O +HETATM 5223 O HOH - 251 30.557 -15.203 30.523 1.00 40.46 O +HETATM 5224 O HOH - 252 29.738 -10.831 32.160 1.00 38.50 O +HETATM 5225 O HOH - 253 29.575 -8.335 27.137 1.00 28.26 O +HETATM 5226 O HOH - 254 29.507 -13.411 32.112 1.00 40.27 O +HETATM 5227 O HOH - 255 28.545 -11.242 25.335 1.00 28.24 O +HETATM 5228 O HOH - 256 35.000 -11.715 24.900 1.00 16.58 O +HETATM 5229 O HOH - 257 31.764 -9.873 33.221 1.00 36.37 O +HETATM 5230 O HOH - 258 27.304 -10.146 31.676 1.00 44.18 O +HETATM 5231 O HOH - 259 26.747 -11.512 28.384 1.00 28.50 O +HETATM 5232 O HOH - 260 32.477 -10.365 25.141 1.00 25.08 O +HETATM 5233 O HOH - 261 32.308 -15.059 25.395 1.00 34.44 O +HETATM 5234 O HOH - 262 34.877 -12.658 22.205 1.00 17.62 O +HETATM 5235 O HOH - 263 31.944 -19.268 20.298 1.00 58.57 O +HETATM 5236 O HOH - 264 39.121 -22.915 19.413 1.00 27.46 O +HETATM 5237 O HOH - 265 41.309 -18.524 20.262 1.00 30.30 O +HETATM 5238 O HOH - 266 31.884 12.053 37.923 1.00 43.35 O +HETATM 5239 O HOH - 267 32.760 11.458 40.318 1.00 45.37 O +HETATM 5240 O HOH - 268 36.158 -20.730 16.827 1.00 48.09 O +HETATM 5241 O HOH - 269 34.834 -21.090 20.511 1.00 39.47 O +HETATM 5242 O HOH - 270 34.373 -21.348 23.100 1.00 50.05 O +HETATM 5243 O HOH - 271 41.797 -23.292 20.354 1.00 28.29 O +HETATM 5244 O HOH - 272 34.346 -25.803 29.630 1.00 53.92 O +HETATM 5245 O HOH - 273 36.118 -27.741 22.807 1.00 31.27 O +HETATM 5246 O HOH - 274 31.293 -10.870 35.642 1.00 38.99 O +HETATM 5247 O HOH - 275 26.697 -12.660 30.920 1.00 27.88 O +HETATM 5248 O HOH - 276 39.898 -28.939 30.780 1.00 54.50 O +HETATM 5249 O HOH - 277 32.180 -12.141 21.408 1.00 26.48 O +HETATM 5250 O HOH - 278 41.667 -25.021 32.640 1.00 40.59 O +HETATM 5251 O HOH - 279 44.857 -21.864 27.650 1.00 19.93 O +HETATM 5252 O HOH - 280 42.060 -20.945 21.428 1.00 29.18 O +HETATM 5253 O HOH - 281 37.187 -25.003 30.921 1.00 45.22 O +HETATM 5254 O HOH - 282 33.519 -26.828 21.865 1.00 34.06 O +HETATM 5255 O HOH - 283 38.685 -17.323 29.310 1.00 18.59 O +HETATM 5256 O HOH - 284 37.944 -29.987 29.499 1.00 28.43 O +HETATM 5257 O HOH - 285 44.301 -24.547 28.790 1.00 43.26 O +HETATM 5258 O HOH - 286 36.378 -23.141 32.432 1.00 54.79 O +HETATM 5259 O HOH - 287 31.237 -17.335 26.117 1.00 43.01 O +HETATM 5260 O HOH - 288 30.532 -17.408 29.718 1.00 44.68 O +HETATM 5261 O HOH - 289 34.944 -20.850 35.279 1.00 60.43 O +HETATM 5262 O HOH - 290 36.435 -23.078 27.001 1.00 26.70 O +HETATM 5263 O HOH - 291 33.921 -17.412 34.064 1.00 39.20 O +HETATM 5264 O HOH - 292 33.807 -18.875 24.112 1.00 31.22 O +HETATM 5265 O HOH - 293 31.925 -19.084 32.235 1.00 38.68 O +HETATM 5266 O HOH - 294 32.288 -21.502 33.463 1.00 34.53 O +HETATM 5267 O HOH - 295 32.778 -16.953 36.022 1.00 61.20 O +HETATM 5268 O HOH - 296 47.143 11.681 28.829 1.00 48.06 O +HETATM 5269 O HOH - 297 44.576 -0.980 10.400 1.00 42.97 O +HETATM 5270 O HOH - 298 42.252 10.100 43.398 1.00 46.48 O +HETATM 5271 O HOH - 299 36.069 9.730 40.626 1.00 48.46 O +HETATM 5272 O HOH - 300 35.598 -11.241 41.561 1.00 47.51 O +HETATM 5273 O HOH - 301 45.044 12.539 27.622 1.00 49.19 O +HETATM 5274 O HOH - 302 42.972 19.596 36.087 1.00 56.53 O +HETATM 5275 O HOH - 303 48.153 -21.878 30.366 1.00 42.98 O +HETATM 5276 O HOH - 304 45.378 -5.948 13.369 1.00 56.38 O +HETATM 5277 O HOH - 305 46.930 -1.793 11.394 1.00 44.82 O +HETATM 5278 O HOH - 306 52.158 -3.360 15.988 1.00 59.18 O +HETATM 5279 O HOH - 307 50.500 0.664 14.123 1.00 61.53 O +HETATM 5280 O HOH - 308 46.871 9.931 30.736 1.00 38.31 O +HETATM 5281 O HOH - 309 40.655 -11.360 12.357 1.00 51.00 O +HETATM 5282 O HOH - 310 43.143 10.020 37.435 1.00 32.51 O +HETATM 5283 O HOH - 311 52.330 6.465 34.490 1.00 56.98 O +HETATM 5284 O HOH - 312 46.346 8.323 39.333 1.00 67.03 O +HETATM 5285 O HOH - 313 43.963 9.616 41.364 1.00 31.08 O +HETATM 5286 O HOH - 314 48.283 -16.728 20.989 1.00 58.30 O +HETATM 5287 O HOH - 315 53.512 -4.866 18.369 1.00 52.54 O +HETATM 5288 O HOH - 316 46.192 4.111 16.052 1.00 47.32 O +HETATM 5289 O HOH - 317 55.773 -3.347 19.130 0.50 33.35 O +HETATM 5290 O HOH - 318 48.269 3.311 16.687 1.00 38.96 O +HETATM 5291 O HOH - 319 34.283 -9.251 39.008 1.00 48.21 O +HETATM 5292 O HOH - 320 63.396 -1.753 24.665 1.00 33.46 O +HETATM 5293 O HOH - 321 33.266 -12.462 37.321 1.00 38.25 O +HETATM 5294 O HOH - 322 54.619 -3.716 35.006 1.00 30.27 O +HETATM 5295 O HOH - 323 37.048 -18.389 40.082 1.00 35.48 O +HETATM 5296 O HOH - 324 39.238 -23.081 34.914 1.00 50.51 O +HETATM 5297 O HOH - 325 37.459 -21.611 34.207 1.00 45.57 O +HETATM 5298 O HOH - 326 38.369 -20.859 39.006 1.00 45.71 O +HETATM 5299 O HOH - 327 46.165 -20.401 38.309 1.00 57.74 O +HETATM 5300 O HOH - 328 40.774 -25.123 38.347 1.00 63.98 O +HETATM 5301 O HOH - 329 48.726 -25.134 44.219 1.00 61.72 O +HETATM 5302 O HOH - 330 44.367 -20.023 40.981 1.00 35.19 O +HETATM 5303 O HOH - 331 49.621 7.029 25.005 1.00 39.89 O +HETATM 5304 O HOH - 332 47.432 10.205 26.077 1.00 38.62 O +HETATM 5305 O HOH - 333 51.537 -14.459 41.805 1.00 48.15 O +HETATM 5306 O HOH - 334 52.396 -17.925 36.996 1.00 46.73 O +HETATM 5307 O HOH - 335 51.939 -11.164 39.713 1.00 44.55 O +HETATM 5308 O HOH - 336 50.517 -17.825 34.380 1.00 35.84 O +HETATM 5309 O HOH - 337 46.784 -22.625 34.954 1.00 59.59 O +HETATM 5310 O HOH - 338 49.536 -19.877 34.740 1.00 45.89 O +HETATM 5311 O HOH - 339 45.381 -21.502 31.108 1.00 33.83 O +HETATM 5312 O HOH - 340 51.254 -19.213 28.633 1.00 34.82 O +HETATM 5313 O HOH - 341 49.136 -2.708 25.735 1.00 22.59 O +HETATM 5314 O HOH - 342 49.540 -1.029 15.904 1.00 41.93 O +HETATM 5315 O HOH - 343 47.574 0.625 12.608 1.00 51.13 O +HETATM 5316 O HOH - 344 47.296 -3.316 13.534 1.00 32.68 O +HETATM 5317 O HOH - 345 33.739 -5.558 18.542 1.00 14.26 O +HETATM 5318 O HOH - 346 56.442 -18.469 27.141 1.00 59.36 O +HETATM 5319 O HOH - 347 39.069 -8.285 11.914 1.00 32.63 O +HETATM 5320 O HOH - 348 39.925 -4.853 13.029 1.00 24.46 O +HETATM 5321 O HOH - 349 48.750 -7.812 14.578 1.00 56.23 O +HETATM 5322 O HOH - 350 32.145 -12.275 18.709 1.00 30.68 O +HETATM 5323 O HOH - 351 36.996 -11.186 11.518 1.00 38.42 O +HETATM 5324 O HOH - 352 34.185 -15.535 16.439 1.00 56.82 O +HETATM 5325 O HOH - 353 32.186 -13.027 13.745 1.00 35.82 O +HETATM 5326 O HOH - 354 40.413 -16.670 14.552 1.00 57.56 O +HETATM 5327 O HOH - 355 44.804 -13.290 14.270 1.00 55.28 O +HETATM 5328 O HOH - 356 41.293 -15.718 21.934 1.00 22.74 O +HETATM 5329 O HOH - 357 44.267 -9.418 15.426 1.00 31.88 O +HETATM 5330 O HOH - 358 41.633 -12.700 13.874 1.00 33.72 O +HETATM 5331 O HOH - 359 45.917 -12.503 17.046 1.00 49.56 O +HETATM 5332 O HOH - 360 45.244 -16.820 21.713 1.00 26.58 O +HETATM 5333 O HOH - 361 42.034 -6.835 13.575 1.00 30.87 O +HETATM 5334 O HOH - 362 51.191 -2.110 17.862 0.50 20.71 O +HETATM 5335 O HOH - 363 51.886 -2.859 18.931 0.50 22.50 O +HETATM 5336 O HOH - 364 45.581 6.280 18.185 1.00 30.18 O +HETATM 5337 O HOH - 365 48.635 -0.280 24.929 1.00 20.08 O +HETATM 5338 O HOH - 366 56.784 1.687 17.658 1.00 51.92 O +HETATM 5339 O HOH - 367 52.453 3.134 16.443 1.00 58.36 O +HETATM 5340 O HOH - 368 48.552 0.859 17.833 1.00 25.17 O +HETATM 5341 O HOH - 369 52.455 4.138 22.783 1.00 25.28 O +HETATM 5342 O HOH - 370 53.636 -0.978 17.889 1.00 36.52 O +HETATM 5343 O HOH - 371 55.809 9.641 18.889 1.00 53.80 O +HETATM 5344 O HOH - 372 60.075 3.897 19.162 1.00 38.56 O +HETATM 5345 O HOH - 373 57.840 -0.049 19.521 1.00 63.08 O +HETATM 5346 O HOH - 374 60.396 1.332 19.732 1.00 38.97 O +HETATM 5347 O HOH - 375 61.598 -2.763 26.401 1.00 30.70 O +HETATM 5348 O HOH - 376 54.057 -0.389 31.808 1.00 52.49 O +HETATM 5349 O HOH - 377 53.455 4.900 25.585 1.00 34.43 O +HETATM 5350 O HOH - 378 62.574 3.971 28.664 1.00 42.23 O +HETATM 5351 O HOH - 379 54.105 3.569 30.177 1.00 65.26 O +HETATM 5352 O HOH - 380 61.593 -0.782 28.160 1.00 45.68 O +HETATM 5353 O HOH - 381 56.205 -2.180 20.247 0.50 18.31 O +HETATM 5354 O HOH - 382 53.308 1.405 30.365 1.00 41.74 O +HETATM 5355 O HOH - 383 50.297 1.526 31.771 1.00 50.02 O +HETATM 5356 O HOH - 384 53.991 -3.497 31.910 1.00 35.48 O +HETATM 5357 O HOH - 385 55.754 -8.457 37.085 1.00 33.85 O +HETATM 5358 O HOH - 386 53.974 -6.174 36.545 1.00 28.91 O +HETATM 5359 O HOH - 387 52.830 -6.465 39.053 1.00 54.72 O +HETATM 5360 O HOH - 388 48.223 -8.200 41.518 1.00 27.39 O +HETATM 5361 O HOH - 389 49.563 -15.213 43.334 1.00 45.49 O +HETATM 5362 O HOH - 390 44.268 -11.220 43.350 1.00 70.25 O +HETATM 5363 O HOH - 391 36.373 -14.725 42.036 1.00 61.42 O +HETATM 5364 O HOH - 392 38.087 -11.094 42.139 1.00 39.85 O +HETATM 5365 O HOH - 393 38.951 -8.971 47.988 1.00 64.06 O +HETATM 5366 O HOH - 394 49.993 -1.593 44.852 1.00 39.69 O +HETATM 5367 O HOH - 395 46.664 -1.166 45.290 1.00 46.55 O +HETATM 5368 O HOH - 396 43.859 5.876 42.782 1.00 36.50 O +HETATM 5369 O HOH - 397 44.951 -3.395 45.409 1.00 34.42 O +HETATM 5370 O HOH - 398 41.074 3.071 45.671 1.00 64.06 O +HETATM 5371 O HOH - 399 52.827 -3.658 38.120 1.00 59.38 O +HETATM 5372 O HOH - 400 49.042 1.277 42.155 1.00 42.55 O +HETATM 5373 O HOH - 401 50.861 3.755 41.047 1.00 42.51 O +HETATM 5374 O HOH - 402 48.491 7.501 26.464 1.00 35.25 O +HETATM 5375 O HOH - 403 51.803 5.989 27.243 1.00 41.65 O +HETATM 5376 O HOH - 404 35.746 9.098 27.572 1.00 44.78 O +HETATM 5377 O HOH - 405 45.283 10.938 24.497 1.00 28.79 O +HETATM 5378 O HOH - 406 39.612 10.358 21.314 1.00 39.16 O +HETATM 5379 O HOH - 407 47.208 8.414 18.468 1.00 39.64 O +HETATM 5380 O HOH - 408 46.160 5.802 26.108 1.00 20.03 O +HETATM 5381 O HOH - 409 51.455 12.398 20.359 1.00 66.41 O +HETATM 5382 O HOH - 410 37.856 8.574 23.344 1.00 49.41 O +HETATM 5383 O HOH - 411 38.979 5.821 21.028 1.00 31.57 O +HETATM 5384 O HOH - 412 42.329 6.661 20.269 1.00 26.09 O +HETATM 5385 O HOH - 413 41.657 5.317 15.886 1.00 37.22 O +HETATM 5386 O HOH - 414 43.986 2.488 15.604 1.00 22.11 O +HETATM 5387 O HOH - 415 49.921 -20.561 31.319 1.00 36.18 O +HETATM 5388 O HOH - 416 58.142 -14.218 32.947 1.00 60.21 O +HETATM 5389 O HOH - 417 56.604 -15.043 29.797 1.00 38.99 O +HETATM 5390 O HOH - 418 54.093 -17.582 31.411 1.00 33.11 O +HETATM 5391 O HOH - 419 52.493 -5.242 30.503 1.00 22.76 O +HETATM 5392 O HOH - 420 57.975 -11.454 34.113 1.00 30.22 O +HETATM 5393 O HOH - 421 60.863 -10.561 33.027 1.00 46.05 O +HETATM 5394 O HOH - 422 59.463 -14.951 27.477 1.00 31.01 O +HETATM 5395 O HOH - 423 62.082 -4.125 30.283 1.00 49.15 O +HETATM 5396 O HOH - 424 64.534 -9.165 26.066 1.00 26.41 O +HETATM 5397 O HOH - 425 63.848 -5.009 26.357 1.00 27.55 O +HETATM 5398 O HOH - 426 66.504 -12.603 28.357 1.00 29.53 O +HETATM 5399 O HOH - 427 63.161 -15.898 28.228 1.00 48.36 O +HETATM 5400 O HOH - 428 66.731 -15.305 21.250 1.00 44.38 O +HETATM 5401 O HOH - 429 63.434 -17.217 21.733 1.00 46.36 O +HETATM 5402 O HOH - 430 64.603 -8.648 21.415 1.00 37.12 O +HETATM 5403 O HOH - 431 59.955 -16.480 24.881 1.00 51.83 O +HETATM 5404 O HOH - 432 63.935 -13.027 17.891 1.00 49.22 O +HETATM 5405 O HOH - 433 60.885 -6.793 17.622 1.00 43.07 O +HETATM 5406 O HOH - 434 64.994 -5.985 15.908 1.00 33.28 O +HETATM 5407 O HOH - 435 60.095 -13.903 18.791 1.00 39.06 O +HETATM 5408 O HOH - 436 59.532 -3.000 19.810 1.00 37.20 O +HETATM 5409 O HOH - 437 52.173 -5.745 20.131 1.00 22.16 O +HETATM 5410 O HOH - 438 51.801 -11.505 24.895 1.00 27.98 O +HETATM 5411 O HOH - 439 54.257 -13.615 21.485 1.00 60.22 O +HETATM 5412 O HOH - 440 54.633 -12.784 19.085 1.00 54.67 O +HETATM 5413 O HOH - 441 53.467 -17.124 28.372 1.00 39.97 O +HETATM 5414 O HOH - 442 58.593 -15.634 20.811 1.00 47.33 O +HETATM 5415 O HOH - 443 57.111 -16.028 27.931 1.00 38.45 O +HETATM 5416 O HOH - 444 50.667 -13.599 23.318 1.00 33.04 O +HETATM 5417 O HOH - 445 53.285 -15.733 23.705 1.00 27.01 O +HETATM 5418 O HOH - 446 45.714 -22.369 18.470 1.00 43.43 O +HETATM 5419 O HOH - 447 51.104 -20.291 24.624 1.00 40.45 O +HETATM 5420 O HOH - 448 49.541 -19.741 26.687 1.00 19.66 O +HETATM 5421 O HOH - 449 44.272 -19.093 21.531 1.00 46.89 O +HETATM 5422 O HOH - 450 47.557 -21.642 27.152 1.00 26.95 O +HETATM 5423 O HOH - 451 48.717 -13.308 21.327 1.00 31.44 O +HETATM 5424 O HOH - 452 43.192 -18.593 23.433 1.00 25.67 O +HETATM 5425 O HOH - 453 47.572 -9.452 16.440 1.00 32.78 O +HETATM 5426 O HOH - 454 32.767 -5.723 25.292 1.00 14.70 O +HETATM 5427 O HOH - 455 32.753 -4.050 27.660 1.00 12.81 O +HETATM 5428 O HOH - 456 32.437 8.893 31.556 1.00 37.69 O +HETATM 5429 O HOH - 457 32.286 3.914 37.063 1.00 28.98 O +HETATM 5430 O HOH - 458 26.172 1.573 40.160 1.00 49.74 O +HETATM 5431 O HOH - 459 26.527 5.611 37.010 1.00 41.84 O +HETATM 5432 O HOH - 460 38.205 6.293 44.295 1.00 55.45 O +HETATM 5433 O HOH - 461 35.607 3.363 44.953 1.00 57.20 O +HETATM 5434 O HOH - 462 33.333 8.670 46.284 1.00 43.58 O +HETATM 5435 O HOH - 463 33.413 8.839 40.698 1.00 50.38 O +HETATM 5436 O HOH - 464 31.830 5.204 46.546 1.00 57.32 O +HETATM 5437 O HOH - 465 40.268 -2.044 44.912 1.00 57.20 O +HETATM 5438 O HOH - 466 52.868 -7.634 18.649 1.00 52.26 O +HETATM 5439 O HOH - 467 30.116 -64.915 30.271 1.00 74.15 O +HETATM 5440 O HOH - 468 32.505 -53.065 28.429 1.00 42.35 O +HETATM 5441 O HOH - 469 29.700 -50.044 24.255 1.00 37.29 O +HETATM 5442 O HOH - 470 31.846 -51.266 26.126 1.00 53.71 O +HETATM 5443 O HOH - 471 32.197 -33.620 24.363 1.00 18.37 O +HETATM 5444 O HOH - 472 34.073 -39.910 28.761 1.00 25.19 O +HETATM 5445 O HOH - 473 29.619 -29.840 23.407 1.00 17.48 O +HETATM 5446 O HOH - 474 35.173 -29.223 31.091 1.00 40.62 O +HETATM 5447 O HOH - 475 36.277 -30.329 23.705 1.00 40.59 O +HETATM 5448 O HOH - 476 32.189 -31.035 23.308 1.00 33.63 O +HETATM 5449 O HOH - 477 37.459 -33.192 26.730 1.00 48.46 O +HETATM 5450 O HOH - 478 32.865 -33.121 30.779 1.00 29.59 O +HETATM 5451 O HOH - 479 35.027 -33.614 25.035 1.00 34.81 O +HETATM 5452 O HOH - 480 37.694 -30.531 26.431 1.00 38.28 O +HETATM 5453 O HOH - 481 33.857 -26.937 26.718 1.00 38.08 O +HETATM 5454 O HOH - 482 32.339 -26.791 24.266 1.00 28.61 O +HETATM 5455 O HOH - 483 23.281 -25.274 21.338 1.00 19.83 O +HETATM 5456 O HOH - 484 30.591 -22.264 23.902 1.00 26.87 O +HETATM 5457 O HOH - 485 29.707 -28.290 21.054 1.00 16.15 O +HETATM 5458 O HOH - 486 32.102 -20.805 22.384 1.00 40.85 O +HETATM 5459 O HOH - 487 24.731 -18.646 17.549 1.00 52.94 O +HETATM 5460 O HOH - 488 23.140 -22.172 20.299 1.00 31.43 O +HETATM 5461 O HOH - 489 25.386 -17.729 20.036 1.00 22.37 O +HETATM 5462 O HOH - 490 29.359 -19.145 20.443 1.00 45.51 O +HETATM 5463 O HOH - 491 30.225 -19.758 23.802 1.00 36.97 O +HETATM 5464 O HOH - 492 22.812 -17.491 21.124 1.00 24.05 O +HETATM 5465 O HOH - 493 33.442 -30.814 20.848 1.00 31.58 O +HETATM 5466 O HOH - 494 36.502 -32.674 22.797 1.00 27.62 O +HETATM 5467 O HOH - 495 33.539 -32.580 33.722 1.00 39.01 O +HETATM 5468 O HOH - 496 37.426 -32.647 29.816 1.00 39.92 O +HETATM 5469 O HOH - 497 22.971 -18.244 33.221 1.00 44.68 O +HETATM 5470 O HOH - 498 24.532 -13.811 32.278 1.00 54.36 O +HETATM 5471 O HOH - 499 27.489 -17.700 31.480 1.00 34.63 O +HETATM 5472 O HOH - 500 22.486 -20.104 21.725 1.00 26.83 O +HETATM 5473 O HOH - 501 19.714 -20.289 28.044 1.00 15.95 O +HETATM 5474 O HOH - 502 21.350 -22.684 23.173 1.00 25.32 O +HETATM 5475 O HOH - 503 28.082 -19.154 27.811 1.00 21.82 O +HETATM 5476 O HOH - 504 28.713 -19.080 17.734 1.00 54.52 O +HETATM 5477 O HOH - 505 25.846 -25.180 28.789 1.00 16.65 O +HETATM 5478 O HOH - 506 24.654 -19.104 34.803 1.00 49.06 O +HETATM 5479 O HOH - 507 29.064 -18.472 33.108 1.00 44.54 O +HETATM 5480 O HOH - 508 29.750 -22.542 34.736 1.00 45.51 O +HETATM 5481 O HOH - 509 32.771 -23.922 30.073 1.00 31.00 O +HETATM 5482 O HOH - 510 33.593 -24.441 27.726 1.00 36.68 O +HETATM 5483 O HOH - 511 32.717 -23.784 32.350 1.00 49.19 O +HETATM 5484 O HOH - 512 30.733 -26.079 33.822 1.00 40.55 O +HETATM 5485 O HOH - 513 17.454 -53.454 22.955 1.00 50.52 O +HETATM 5486 O HOH - 514 20.159 -55.332 33.316 1.00 55.77 O +HETATM 5487 O HOH - 515 30.160 -46.408 31.478 1.00 27.65 O +HETATM 5488 O HOH - 516 32.946 -35.264 35.200 1.00 59.41 O +HETATM 5489 O HOH - 517 29.903 -35.484 40.848 1.00 59.72 O +HETATM 5490 O HOH - 518 18.068 -19.461 50.175 1.00 79.53 O +HETATM 5491 O HOH - 519 21.067 -59.439 30.940 1.00 65.20 O +HETATM 5492 O HOH - 520 19.947 -54.326 22.240 1.00 45.03 O +HETATM 5493 O HOH - 521 14.757 -33.969 11.137 1.00 55.80 O +HETATM 5494 O HOH - 522 19.545 -33.345 11.167 1.00 56.79 O +HETATM 5495 O HOH - 523 17.875 -52.174 26.136 1.00 42.16 O +HETATM 5496 O HOH - 524 23.214 -29.994 10.921 1.00 65.90 O +HETATM 5497 O HOH - 525 21.659 -53.711 31.906 1.00 38.97 O +HETATM 5498 O HOH - 526 17.473 -55.995 31.754 1.00 40.16 O +HETATM 5499 O HOH - 527 33.459 -25.647 17.430 1.00 47.00 O +HETATM 5500 O HOH - 528 30.582 -22.775 16.428 1.00 61.10 O +HETATM 5501 O HOH - 529 30.355 -27.092 9.404 1.00 46.97 O +HETATM 5502 O HOH - 530 23.898 -51.041 36.941 1.00 56.42 O +HETATM 5503 O HOH - 531 18.392 -52.318 34.230 1.00 55.13 O +HETATM 5504 O HOH - 532 16.329 -24.383 20.241 1.00 45.48 O +HETATM 5505 O HOH - 533 12.679 -35.581 12.366 1.00 55.89 O +HETATM 5506 O HOH - 534 18.627 -44.053 11.846 1.00 38.27 O +HETATM 5507 O HOH - 535 16.426 -43.226 12.736 1.00 41.60 O +HETATM 5508 O HOH - 536 30.467 -34.135 36.755 1.00 45.09 O +HETATM 5509 O HOH - 537 1.200 -39.638 20.873 1.00 36.22 O +HETATM 5510 O HOH - 538 29.463 -33.091 39.440 1.00 37.94 O +HETATM 5511 O HOH - 539 31.349 -31.092 35.850 1.00 35.36 O +HETATM 5512 O HOH - 540 32.884 -30.318 40.653 1.00 61.37 O +HETATM 5513 O HOH - 541 30.974 -25.097 36.613 1.00 45.08 O +HETATM 5514 O HOH - 542 30.362 -25.799 39.087 1.00 52.35 O +HETATM 5515 O HOH - 543 8.291 -47.345 20.139 1.00 53.74 O +HETATM 5516 O HOH - 544 12.653 -47.711 22.333 1.00 43.77 O +HETATM 5517 O HOH - 545 9.305 -38.895 31.880 0.50 26.60 O +HETATM 5518 O HOH - 546 7.812 -39.818 30.278 0.50 25.78 O +HETATM 5519 O HOH - 547 27.351 -21.851 34.327 1.00 38.92 O +HETATM 5520 O HOH - 548 27.530 -25.886 39.541 1.00 36.02 O +HETATM 5521 O HOH - 549 26.314 -23.328 38.778 1.00 40.08 O +HETATM 5522 O HOH - 550 20.145 -24.551 40.935 1.00 28.75 O +HETATM 5523 O HOH - 551 18.821 -24.066 38.028 1.00 41.91 O +HETATM 5524 O HOH - 552 24.060 -19.134 39.175 1.00 54.59 O +HETATM 5525 O HOH - 553 26.719 -30.572 50.207 1.00 48.05 O +HETATM 5526 O HOH - 554 17.552 -21.491 47.668 1.00 58.79 O +HETATM 5527 O HOH - 555 14.671 -24.904 46.415 1.00 58.43 O +HETATM 5528 O HOH - 556 17.340 -51.657 20.991 1.00 42.09 O +HETATM 5529 O HOH - 557 14.614 -48.531 20.179 1.00 38.67 O +HETATM 5530 O HOH - 558 15.902 -29.687 42.547 1.00 38.39 O +HETATM 5531 O HOH - 559 29.477 -50.285 19.857 1.00 42.06 O +HETATM 5532 O HOH - 560 13.925 -29.949 41.106 1.00 51.87 O +HETATM 5533 O HOH - 561 13.947 -25.633 33.843 1.00 38.23 O +HETATM 5534 O HOH - 562 27.505 -48.008 16.995 1.00 61.78 O +HETATM 5535 O HOH - 563 17.700 -20.539 35.216 1.00 56.90 O +HETATM 5536 O HOH - 564 19.294 -21.371 31.120 1.00 33.11 O +HETATM 5537 O HOH - 565 15.090 -23.681 34.517 1.00 55.24 O +HETATM 5538 O HOH - 566 25.945 -46.825 13.909 1.00 51.26 O +HETATM 5539 O HOH - 567 22.932 -43.273 9.587 1.00 41.22 O +HETATM 5540 O HOH - 568 12.224 -22.610 30.748 1.00 42.05 O +HETATM 5541 O HOH - 569 3.395 -27.327 28.755 1.00 44.66 O +HETATM 5542 O HOH - 570 15.396 -38.955 22.566 1.00 24.41 O +HETATM 5543 O HOH - 571 -0.223 -24.687 18.558 1.00 47.20 O +HETATM 5544 O HOH - 572 17.331 -36.209 10.675 1.00 34.75 O +HETATM 5545 O HOH - 573 17.113 -39.872 8.961 1.00 50.71 O +HETATM 5546 O HOH - 574 15.021 -38.925 12.581 1.00 39.02 O +HETATM 5547 O HOH - 575 2.395 -38.121 16.219 1.00 42.58 O +HETATM 5548 O HOH - 576 30.841 -34.693 16.008 1.00 14.88 O +HETATM 5549 O HOH - 577 25.587 -30.838 10.052 1.00 30.50 O +HETATM 5550 O HOH - 578 24.585 -34.283 10.632 1.00 25.10 O +HETATM 5551 O HOH - 579 32.523 -28.049 17.496 1.00 35.56 O +HETATM 5552 O HOH - 580 32.008 -28.646 19.629 1.00 30.81 O +HETATM 5553 O HOH - 581 27.694 -27.860 10.138 1.00 45.42 O +HETATM 5554 O HOH - 582 32.305 -26.408 12.909 1.00 34.92 O +HETATM 5555 O HOH - 583 31.254 -25.466 16.119 1.00 55.44 O +HETATM 5556 O HOH - 584 20.299 -30.255 13.633 1.00 33.65 O +HETATM 5557 O HOH - 585 18.974 -27.630 15.849 1.00 52.05 O +HETATM 5558 O HOH - 586 22.875 -27.132 12.721 1.00 37.45 O +HETATM 5559 O HOH - 587 19.185 -24.234 21.197 1.00 24.42 O +HETATM 5560 O HOH - 588 22.624 -32.384 11.442 1.00 27.19 O +HETATM 5561 O HOH - 589 13.317 -37.864 14.603 1.00 42.64 O +HETATM 5562 O HOH - 590 15.927 -41.143 21.438 1.00 19.77 O +HETATM 5563 O HOH - 591 18.960 -46.514 13.604 1.00 28.91 O +HETATM 5564 O HOH - 592 11.052 -39.132 14.508 1.00 40.65 O +HETATM 5565 O HOH - 593 12.041 -44.912 18.366 1.00 24.61 O +HETATM 5566 O HOH - 594 16.049 -40.976 14.190 1.00 22.74 O +HETATM 5567 O HOH - 595 10.702 -47.142 11.394 1.00 55.05 O +HETATM 5568 O HOH - 596 2.928 -38.459 22.716 1.00 30.57 O +HETATM 5569 O HOH - 597 10.918 -46.108 20.599 1.00 29.76 O +HETATM 5570 O HOH - 598 6.393 -47.131 22.446 1.00 56.47 O +HETATM 5571 O HOH - 599 8.590 -38.020 16.948 1.00 27.75 O +HETATM 5572 O HOH - 600 10.926 -43.468 26.280 1.00 35.11 O +HETATM 5573 O HOH - 601 10.596 -39.056 28.955 1.00 27.44 O +HETATM 5574 O HOH - 602 13.635 -38.121 34.499 1.00 56.59 O +HETATM 5575 O HOH - 603 10.353 -36.912 33.488 1.00 28.75 O +HETATM 5576 O HOH - 604 8.696 -34.695 34.598 1.00 27.83 O +HETATM 5577 O HOH - 605 24.781 -28.836 49.571 1.00 44.93 O +HETATM 5578 O HOH - 606 25.858 -31.185 47.783 1.00 37.41 O +HETATM 5579 O HOH - 607 21.018 -24.929 46.072 1.00 40.53 O +HETATM 5580 O HOH - 608 24.370 -27.341 47.475 1.00 49.37 O +HETATM 5581 O HOH - 609 23.972 -32.785 43.371 1.00 34.69 O +HETATM 5582 O HOH - 610 21.269 -32.800 42.250 1.00 33.84 O +HETATM 5583 O HOH - 611 27.255 -26.762 41.722 1.00 52.72 O +HETATM 5584 O HOH - 612 28.176 -30.979 43.040 1.00 45.79 O +HETATM 5585 O HOH - 613 23.847 -30.153 44.483 1.00 26.85 O +HETATM 5586 O HOH - 614 26.591 -33.005 42.551 1.00 31.75 O +HETATM 5587 O HOH - 615 26.953 -33.535 39.819 1.00 31.50 O +HETATM 5588 O HOH - 616 20.050 -34.465 40.573 1.00 38.51 O +HETATM 5589 O HOH - 617 18.063 -36.327 41.835 1.00 29.68 O +HETATM 5590 O HOH - 618 19.824 -38.385 42.718 1.00 35.30 O +HETATM 5591 O HOH - 619 30.013 -38.752 41.577 1.00 48.66 O +HETATM 5592 O HOH - 620 16.623 -36.712 39.110 1.00 26.53 O +HETATM 5593 O HOH - 621 20.213 -41.309 42.375 1.00 21.22 O +HETATM 5594 O HOH - 622 25.205 -49.273 40.151 1.00 58.20 O +HETATM 5595 O HOH - 623 15.277 -38.645 36.501 1.00 43.17 O +HETATM 5596 O HOH - 624 15.634 -45.469 37.992 1.00 46.46 O +HETATM 5597 O HOH - 625 16.257 -49.083 21.817 1.00 37.62 O +HETATM 5598 O HOH - 626 28.809 -50.977 22.163 1.00 46.11 O +HETATM 5599 O HOH - 627 19.350 -52.052 18.969 1.00 33.19 O +HETATM 5600 O HOH - 628 24.926 -50.707 15.993 1.00 41.99 O +HETATM 5601 O HOH - 629 25.923 -54.393 18.179 1.00 55.82 O +HETATM 5602 O HOH - 630 18.470 -47.317 21.699 1.00 25.79 O +HETATM 5603 O HOH - 631 22.330 -47.119 15.726 1.00 26.29 O +HETATM 5604 O HOH - 632 26.720 -49.946 18.712 1.00 33.91 O +HETATM 5605 O HOH - 633 25.433 -46.502 16.396 1.00 28.44 O +HETATM 5606 O HOH - 634 22.977 -45.179 11.671 1.00 33.40 O +HETATM 5607 O HOH - 635 20.632 -42.171 11.755 1.00 21.53 O +HETATM 5608 O HOH - 636 14.550 -22.257 31.317 1.00 31.67 O +HETATM 5609 O HOH - 637 13.454 -22.995 28.742 1.00 39.53 O +HETATM 5610 O HOH - 638 10.080 -26.226 34.909 1.00 56.66 O +HETATM 5611 O HOH - 639 10.580 -25.233 30.704 1.00 35.90 O +HETATM 5612 O HOH - 640 7.808 -27.709 29.657 1.00 47.30 O +HETATM 5613 O HOH - 641 6.415 -31.841 32.057 1.00 35.44 O +HETATM 5614 O HOH - 642 12.089 -37.137 27.628 1.00 23.94 O +HETATM 5615 O HOH - 643 5.102 -27.068 26.475 1.00 30.51 O +HETATM 5616 O HOH - 644 3.664 -32.926 30.986 1.00 40.84 O +HETATM 5617 O HOH - 645 3.270 -31.074 30.256 1.00 52.19 O +HETATM 5618 O HOH - 646 0.115 -32.538 23.723 1.00 32.24 O +HETATM 5619 O HOH - 647 0.742 -36.802 23.177 1.00 27.23 O +HETATM 5620 O HOH - 648 -1.822 -32.806 30.470 1.00 47.37 O +HETATM 5621 O HOH - 649 -0.161 -37.661 25.586 1.00 40.99 O +HETATM 5622 O HOH - 650 1.646 -25.894 26.502 1.00 51.86 O +HETATM 5623 O HOH - 651 -1.979 -25.998 19.390 1.00 46.62 O +HETATM 5624 O HOH - 652 -2.610 -30.281 19.038 1.00 31.21 O +HETATM 5625 O HOH - 653 -0.066 -32.058 19.229 1.00 35.53 O +HETATM 5626 O HOH - 654 0.828 -27.235 16.223 1.00 42.76 O +HETATM 5627 O HOH - 655 -0.257 -31.444 14.118 1.00 46.48 O +HETATM 5628 O HOH - 656 4.395 -26.887 17.486 1.00 43.56 O +HETATM 5629 O HOH - 657 5.176 -37.118 16.474 1.00 41.12 O +HETATM 5630 O HOH - 658 12.440 -34.794 17.665 1.00 22.30 O +HETATM 5631 O HOH - 659 12.835 -30.040 23.241 1.00 28.92 O +HETATM 5632 O HOH - 660 6.445 -25.105 20.312 1.00 49.52 O +HETATM 5633 O HOH - 661 7.678 -26.209 27.630 1.00 49.04 O +HETATM 5634 O HOH - 662 10.930 -25.423 28.115 1.00 45.93 O +HETATM 5635 O HOH - 663 14.126 -27.789 22.236 1.00 31.09 O +HETATM 5636 O HOH - 664 11.422 -25.652 22.948 1.00 32.65 O +HETATM 5637 O HOH - 665 19.489 -19.602 21.020 1.00 46.01 O +HETATM 5638 O HOH - 666 16.569 -17.107 19.712 1.00 31.31 O +HETATM 5639 O HOH - 667 15.012 -22.296 26.635 1.00 18.36 O +HETATM 5640 O HOH - 668 17.131 -20.460 27.586 1.00 27.71 O +HETATM 5641 O HOH - 669 16.039 -27.434 20.152 1.00 39.63 O +HETATM 5642 O HOH - 670 16.558 -27.212 16.222 1.00 63.70 O +HETATM 5643 O HOH - 671 16.623 -30.724 14.847 1.00 33.67 O +HETATM 5644 O HOH - 672 31.887 -35.781 22.757 1.00 13.69 O +HETATM 5645 O HOH - 673 31.843 -37.849 24.680 1.00 13.80 O +HETATM 5646 O HOH - 674 32.550 -47.377 32.523 1.00 33.64 O +HETATM 5647 O HOH - 675 38.441 -52.571 28.490 1.00 51.22 O +HETATM 5648 O HOH - 676 38.649 -49.273 31.662 1.00 47.42 O +HETATM 5649 O HOH - 677 35.867 -42.180 36.926 1.00 58.30 O +HETATM 5650 O HOH - 678 24.882 -43.680 41.043 1.00 62.61 O +HETATM 5651 O HOH - 679 34.479 -38.228 33.758 1.00 48.95 O +HETATM 5652 O HOH - 680 14.245 -30.891 15.227 1.00 59.65 O +HETATM 5653 O HOH - 681 12.126 -32.494 16.673 1.00 47.31 O +HETATM 5654 O HOH - 682 24.073 -41.191 6.011 1.00 35.52 O +HETATM 5655 O HOH - 683 21.092 -39.476 7.135 1.00 50.77 O +HETATM 5656 O HOH - 684 25.481 -39.458 0.476 1.00 27.36 O +HETATM 5657 O HOH - 685 21.062 -38.502 1.273 1.00 45.49 O +HETATM 5658 O HOH - 686 20.640 -47.445 -2.092 1.00 36.73 O +HETATM 5659 O HOH - 687 22.463 -47.966 -0.421 1.00 31.77 O +HETATM 5660 O HOH - 688 27.273 -36.752 1.540 1.00 25.79 O +HETATM 5661 O HOH - 689 27.530 -43.985 10.742 1.00 32.06 O +HETATM 5662 O HOH - 690 33.412 -28.525 11.859 1.00 33.46 O +HETATM 5663 O HOH - 691 35.067 -33.130 20.522 1.00 21.50 O +HETATM 5664 O HOH - 692 31.180 -33.054 13.715 1.00 23.63 O +HETATM 5665 O HOH - 693 37.021 -24.931 19.895 1.00 39.84 O +HETATM 5666 O HOH - 694 36.465 -28.806 16.142 1.00 36.36 O +HETATM 5667 O HOH - 695 39.272 -33.491 23.163 1.00 24.14 O +HETATM 5668 O HOH - 696 36.859 -25.171 17.337 1.00 51.94 O +HETATM 5669 O HOH - 697 39.270 -29.012 24.260 1.00 31.19 O +HETATM 5670 O HOH - 698 44.064 -28.167 27.381 1.00 19.53 O +HETATM 5671 O HOH - 699 46.456 -35.789 25.434 1.00 22.22 O +HETATM 5672 O HOH - 700 43.309 -32.497 32.763 1.00 52.39 O +HETATM 5673 O HOH - 701 39.610 -32.848 25.805 1.00 30.57 O +HETATM 5674 O HOH - 702 19.671 -36.469 7.398 1.00 59.97 O +HETATM 5675 O HOH - 703 47.501 -32.821 32.921 1.00 52.71 O +HETATM 5676 O HOH - 704 49.061 -34.490 27.647 1.00 42.69 O +HETATM 5677 O HOH - 705 46.939 -25.608 28.540 1.00 38.50 O +HETATM 5678 O HOH - 706 48.212 -25.825 25.025 1.00 18.26 O +HETATM 5679 O HOH - 707 54.281 -25.475 29.334 1.00 44.80 O +HETATM 5680 O HOH - 708 54.813 -29.283 26.241 1.00 34.88 O +HETATM 5681 O HOH - 709 35.915 -27.457 12.094 1.00 50.27 O +HETATM 5682 O HOH - 710 50.830 -25.473 31.297 1.00 43.12 O +HETATM 5683 O HOH - 711 36.858 -26.208 14.297 1.00 40.00 O +HETATM 5684 O HOH - 712 34.396 -24.947 20.109 1.00 39.78 O +HETATM 5685 O HOH - 713 56.171 -24.970 22.619 1.00 61.15 O +HETATM 5686 O HOH - 714 52.753 -24.098 20.462 1.00 44.97 O +HETATM 5687 O HOH - 715 53.495 -31.576 21.722 1.00 20.77 O +HETATM 5688 O HOH - 716 54.980 -22.636 28.866 1.00 44.21 O +HETATM 5689 O HOH - 717 46.112 -29.787 20.474 1.00 16.66 O +HETATM 5690 O HOH - 718 51.192 -23.345 18.170 1.00 55.26 O +HETATM 5691 O HOH - 719 55.612 -33.273 21.399 1.00 25.59 O +HETATM 5692 O HOH - 720 43.477 -23.665 18.385 1.00 42.42 O +HETATM 5693 O HOH - 721 43.663 -21.593 14.376 1.00 58.13 O +HETATM 5694 O HOH - 722 42.614 -23.649 16.130 1.00 39.80 O +HETATM 5695 O HOH - 723 35.176 -53.821 8.618 1.00 38.47 O +HETATM 5696 O HOH - 724 29.729 -55.272 8.323 1.00 43.49 O +HETATM 5697 O HOH - 725 34.732 -56.203 5.255 1.00 68.17 O +HETATM 5698 O HOH - 726 30.553 -37.365 6.951 1.00 19.67 O +HETATM 5699 O HOH - 727 40.544 -25.711 8.471 1.00 40.07 O +HETATM 5700 O HOH - 728 25.006 -46.561 -0.726 1.00 24.31 O +HETATM 5701 O HOH - 729 34.429 -53.033 5.706 1.00 32.93 O +HETATM 5702 O HOH - 730 32.014 -53.289 7.589 1.00 28.80 O +HETATM 5703 O HOH - 731 35.319 -55.013 3.361 1.00 58.83 O +HETATM 5704 O HOH - 732 28.633 -54.052 1.389 1.00 30.32 O +HETATM 5705 O HOH - 733 40.546 -52.185 3.044 1.00 55.59 O +HETATM 5706 O HOH - 734 32.841 -45.807 0.427 1.00 21.36 O +HETATM 5707 O HOH - 735 35.745 -50.267 -1.910 1.00 8.41 O +HETATM 5708 O HOH - 736 35.634 -47.136 -1.214 1.00 20.22 O +HETATM 5709 O HOH - 737 37.308 -45.314 -1.595 1.00 36.34 O +HETATM 5710 O HOH - 738 32.314 -42.292 0.159 1.00 26.28 O +HETATM 5711 O HOH - 739 33.850 -44.909 -1.985 1.00 26.43 O +HETATM 5712 O HOH - 740 37.902 -38.900 -1.380 1.00 52.34 O +HETATM 5713 O HOH - 741 37.262 -54.296 20.736 1.00 44.57 O +HETATM 5714 O HOH - 742 39.470 -54.607 20.154 1.00 40.45 O +HETATM 5715 O HOH - 743 44.337 -59.768 10.213 1.00 42.62 O +HETATM 5716 O HOH - 744 39.356 -26.873 10.491 1.00 38.66 O +HETATM 5717 O HOH - 745 55.327 -56.582 14.310 1.00 47.82 O +HETATM 5718 O HOH - 746 40.324 -21.637 16.251 1.00 66.08 O +HETATM 5719 O HOH - 747 39.222 -25.490 13.279 1.00 31.26 O +HETATM 5720 O HOH - 748 47.759 -61.553 10.851 1.00 58.63 O +HETATM 5721 O HOH - 749 52.484 -53.100 7.333 1.00 59.19 O +HETATM 5722 O HOH - 750 44.359 -57.328 9.901 1.00 35.18 O +HETATM 5723 O HOH - 751 45.993 -58.210 5.312 1.00 70.69 O +HETATM 5724 O HOH - 752 41.450 -54.167 9.786 1.00 36.42 O +HETATM 5725 O HOH - 753 50.273 -44.599 5.620 1.00 41.50 O +HETATM 5726 O HOH - 754 48.060 -23.672 18.795 1.00 37.92 O +HETATM 5727 O HOH - 755 46.289 -22.708 12.038 1.00 42.50 O +HETATM 5728 O HOH - 756 49.085 -21.769 13.772 1.00 53.65 O +HETATM 5729 O HOH - 757 53.838 -29.917 2.967 1.00 60.54 O +HETATM 5730 O HOH - 758 52.926 -20.706 15.221 1.00 64.41 O +HETATM 5731 O HOH - 759 46.146 -26.377 4.113 0.30 26.11 O +HETATM 5732 O HOH - 760 43.948 -25.336 4.890 1.00 52.34 O +HETATM 5733 O HOH - 761 55.356 -26.915 12.947 1.00 47.64 O +HETATM 5734 O HOH - 762 41.286 -36.360 -4.120 1.00 66.93 O +HETATM 5735 O HOH - 763 43.233 -42.395 -3.475 1.00 48.10 O +HETATM 5736 O HOH - 764 53.582 -27.738 12.022 1.00 37.38 O +HETATM 5737 O HOH - 765 26.278 -53.555 8.163 1.00 52.14 O +HETATM 5738 O HOH - 766 57.498 -32.770 11.488 1.00 60.38 O +HETATM 5739 O HOH - 767 55.791 -38.596 6.322 1.00 64.50 O +HETATM 5740 O HOH - 768 53.270 -36.272 5.673 1.00 59.13 O +HETATM 5741 O HOH - 769 56.070 -34.001 13.267 1.00 48.62 O +HETATM 5742 O HOH - 770 31.041 -51.493 17.478 1.00 41.87 O +HETATM 5743 O HOH - 771 54.656 -28.480 17.611 1.00 38.08 O +HETATM 5744 O HOH - 772 44.727 -46.967 14.593 1.00 24.27 O +HETATM 5745 O HOH - 773 42.417 -51.091 26.305 1.00 47.11 O +HETATM 5746 O HOH - 774 40.380 -54.622 25.034 1.00 54.12 O +HETATM 5747 O HOH - 775 43.082 -52.794 22.223 1.00 40.26 O +HETATM 5748 O HOH - 776 33.637 -39.615 25.909 1.00 17.64 O +HETATM 5749 O HOH - 777 38.820 -43.792 31.644 1.00 36.51 O +HETATM 5750 O HOH - 778 37.569 -46.210 28.884 1.00 33.47 O +HETATM 5751 O HOH - 779 38.803 -34.393 29.739 1.00 42.53 O +HETATM 5752 O HOH - 780 39.157 -33.911 31.804 1.00 41.49 O +HETATM 5753 O HOH - 781 39.639 -41.336 33.045 0.50 27.40 O +HETATM 5754 O HOH - 782 36.939 -36.005 33.465 1.00 51.29 O +HETATM 5755 O HOH - 783 44.699 -34.631 35.129 1.00 48.07 O +HETATM 5756 O HOH - 784 41.925 -34.381 32.318 1.00 52.40 O +HETATM 5757 O HOH - 785 39.885 -39.781 34.135 0.50 31.94 O +HETATM 5758 O HOH - 786 47.437 -35.506 33.317 1.00 39.83 O +HETATM 5759 O HOH - 787 40.767 -35.062 34.946 1.00 59.24 O +HETATM 5760 O HOH - 788 33.062 -29.920 7.383 1.00 43.26 O +HETATM 5761 O HOH - 789 44.212 -44.745 27.542 1.00 25.81 O +HETATM 5762 O HOH - 790 50.040 -37.850 24.932 1.00 23.58 O +HETATM 5763 O HOH - 791 34.801 -38.387 -2.255 1.00 49.81 O +HETATM 5764 O HOH - 792 35.465 -35.077 -3.663 1.00 53.85 O +HETATM 5765 O HOH - 793 32.368 -25.544 5.975 1.00 53.17 O +HETATM 5766 O HOH - 794 40.424 -46.063 28.514 1.00 42.30 O +HETATM 5767 O HOH - 795 49.443 -43.973 19.938 1.00 35.18 O +HETATM 5768 O HOH - 796 48.596 -48.875 20.181 0.50 20.88 O +HETATM 5769 O HOH - 797 46.451 -51.760 19.796 1.00 33.50 O +HETATM 5770 O HOH - 798 35.831 -54.637 18.431 1.00 28.74 O +HETATM 5771 O HOH - 799 42.654 -48.645 14.310 1.00 23.57 O +HETATM 5772 O HOH - 800 43.270 -56.546 20.368 1.00 47.92 O +HETATM 5773 O HOH - 801 41.331 -52.698 20.356 1.00 29.34 O +HETATM 5774 O HOH - 802 43.999 -61.635 13.248 1.00 60.22 O +HETATM 5775 O HOH - 803 43.014 -54.984 13.938 1.00 28.30 O +HETATM 5776 O HOH - 804 47.014 -61.804 14.973 1.00 61.71 O +HETATM 5777 O HOH - 805 54.681 -53.764 11.476 1.00 39.87 O +HETATM 5778 O HOH - 806 49.436 -48.606 7.142 1.00 42.56 O +HETATM 5779 O HOH - 807 43.695 -55.059 11.273 1.00 32.91 O +HETATM 5780 O HOH - 808 46.552 -57.119 8.390 1.00 49.21 O +HETATM 5781 O HOH - 809 53.275 -54.644 9.245 1.00 47.80 O +HETATM 5782 O HOH - 810 49.597 -59.658 10.165 1.00 51.69 O +HETATM 5783 O HOH - 811 46.138 -50.401 8.429 1.00 38.20 O +HETATM 5784 O HOH - 812 49.704 -53.385 17.813 1.00 35.08 O +HETATM 5785 O HOH - 813 42.938 -47.184 7.452 1.00 46.20 O +HETATM 5786 O HOH - 814 49.349 -46.117 8.138 1.00 32.19 O +HETATM 5787 O HOH - 815 45.664 -48.172 6.883 1.00 52.50 O +HETATM 5788 O HOH - 816 46.254 -43.569 4.601 1.00 59.56 O +HETATM 5789 O HOH - 817 51.744 -37.474 3.851 1.00 60.54 O +HETATM 5790 O HOH - 818 54.094 -41.561 5.663 1.00 42.12 O +HETATM 5791 O HOH - 819 51.252 -42.224 5.639 1.00 31.82 O +HETATM 5792 O HOH - 820 48.697 -35.082 3.545 1.00 27.92 O +HETATM 5793 O HOH - 821 54.571 -30.430 5.270 1.00 56.43 O +HETATM 5794 O HOH - 822 47.923 -26.087 4.503 0.70 34.76 O +HETATM 5795 O HOH - 823 52.943 -25.084 9.937 1.00 36.42 O +HETATM 5796 O HOH - 824 42.516 -26.562 7.201 1.00 37.51 O +HETATM 5797 O HOH - 825 46.712 -29.734 3.028 1.00 56.87 O +HETATM 5798 O HOH - 826 45.501 -40.176 -0.609 1.00 49.21 O +HETATM 5799 O HOH - 827 43.921 -37.784 -1.861 1.00 53.66 O +HETATM 5800 O HOH - 828 43.194 -33.714 -0.946 1.00 33.17 O +HETATM 5801 O HOH - 829 43.496 -41.065 -1.267 1.00 45.19 O +HETATM 5802 O HOH - 830 44.348 -44.934 1.071 1.00 59.23 O +HETATM 5803 O HOH - 831 42.951 -48.202 -0.744 1.00 46.81 O +HETATM 5804 O HOH - 832 42.387 -50.126 2.670 1.00 48.18 O +HETATM 5805 O HOH - 833 37.597 -52.426 9.290 1.00 27.24 O +HETATM 5806 O HOH - 834 37.924 -52.435 4.250 1.00 53.89 O +HETATM 5807 O HOH - 835 35.883 -50.604 5.111 1.00 25.10 O +HETATM 5808 O HOH - 836 27.229 -46.019 11.450 1.00 41.52 O +HETATM 5809 O HOH - 837 33.090 -54.061 10.778 1.00 27.48 O +HETATM 5810 O HOH - 838 26.448 -52.277 11.400 1.00 55.54 O +HETATM 5811 O HOH - 839 28.574 -51.711 14.742 1.00 41.24 O +HETATM 5812 O HOH - 840 31.902 -55.713 18.210 1.00 48.76 O +HETATM 5813 O HOH - 841 35.495 -56.920 17.384 1.00 45.53 O +HETATM 5814 O HOH - 842 37.190 -50.376 11.310 1.00 22.53 O +HETATM 5815 O HOH - 843 39.163 -54.546 10.519 1.00 38.91 O +HETATM 5816 O HOH - 844 36.550 -60.521 11.056 1.00 58.25 O +HETATM 5817 O HOH - 845 33.090 -51.703 16.911 1.00 24.56 O +HETATM 5818 O HOH - 846 28.587 -48.915 14.018 1.00 30.22 O +HETATM 5819 O HOH - 847 31.006 -48.968 17.467 1.00 34.33 O +HETATM 5820 O HOH - 848 36.432 -52.221 22.525 1.00 26.08 O +HETATM 5821 O HOH - 849 32.921 -52.656 21.491 1.00 39.76 O +HETATM 5822 O HOH - 850 33.576 -54.617 19.694 1.00 53.61 O +HETATM 5823 O HOH - 851 56.957 -33.832 17.106 1.00 28.85 O +HETATM 5824 O HOH - 852 56.440 -36.280 18.411 1.00 29.12 O +HETATM 5825 O HOH - 853 58.267 -36.592 14.425 1.00 34.45 O +HETATM 5826 O HOH - 854 58.377 -41.041 14.528 1.00 39.52 O +HETATM 5827 O HOH - 855 49.242 -44.943 10.670 1.00 31.50 O +HETATM 5828 O HOH - 856 57.256 -42.206 8.453 1.00 46.99 O +HETATM 5829 O HOH - 857 60.906 -43.883 14.955 1.00 46.16 O +HETATM 5830 O HOH - 858 57.335 -53.247 10.507 1.00 44.41 O +HETATM 5831 O HOH - 859 56.294 -49.669 6.654 1.00 64.78 O +HETATM 5832 O HOH - 860 60.714 -51.859 13.759 1.00 53.21 O +HETATM 5833 O HOH - 861 62.447 -53.623 18.890 1.00 63.20 O +HETATM 5834 O HOH - 862 60.301 -52.493 16.154 1.00 52.31 O +HETATM 5835 O HOH - 863 61.458 -51.256 22.681 1.00 72.93 O +HETATM 5836 O HOH - 864 48.933 -51.091 20.223 0.50 27.70 O +HETATM 5837 O HOH - 865 54.966 -45.499 22.583 1.00 61.52 O +HETATM 5838 O HOH - 866 54.553 -42.781 20.540 1.00 36.95 O +HETATM 5839 O HOH - 867 57.652 -38.737 18.350 1.00 34.25 O +HETATM 5840 O HOH - 868 51.989 -42.210 20.506 1.00 38.94 O +HETATM 5841 O HOH - 869 55.673 -35.950 21.201 1.00 20.68 O +HETATM 5842 O HOH - 870 50.483 -32.878 28.407 1.00 42.63 O +HETATM 5843 O HOH - 871 51.361 -35.969 26.646 1.00 44.52 O +HETATM 5844 O HOH - 872 49.834 -34.365 25.044 1.00 25.94 O +HETATM 5845 O HOH - 873 49.147 -45.973 21.858 1.00 30.10 O +HETATM 5846 O HOH - 874 46.905 -46.305 25.913 1.00 38.35 O +HETATM 5847 O HOH - 875 50.135 -42.805 22.382 1.00 52.60 O +HETATM 5848 O HOH - 876 32.906 -35.602 17.688 1.00 13.93 O +HETATM 5849 O HOH - 877 33.661 -35.521 20.439 1.00 13.33 O +HETATM 5850 O HOH - 878 24.870 -41.827 8.602 1.00 35.03 O +HETATM 5851 O HOH - 879 26.233 -33.790 8.342 1.00 39.47 O +HETATM 5852 O HOH - 880 28.471 -35.866 6.126 1.00 19.69 O +HETATM 5853 O HOH - 881 22.589 -33.695 6.859 1.00 24.19 O +HETATM 5854 O HOH - 882 31.098 -29.286 5.509 1.00 29.60 O +HETATM 5855 O HOH - 883 30.838 -36.889 -2.611 1.00 35.46 O +HETATM 5856 O HOH - 884 33.384 -36.088 -2.522 1.00 43.07 O +HETATM 5857 O HOH - 885 25.493 -37.159 -0.279 1.00 36.60 O +HETATM 5858 O HOH - 886 21.720 -36.431 0.420 1.00 52.06 O +HETATM 5859 O HOH - 887 23.368 -30.845 7.596 1.00 49.38 O +HETATM 5860 O HOH - 888 29.407 -27.438 6.358 1.00 41.92 O +HETATM 5861 O HOH - 889 36.225 -27.424 7.619 1.00 51.15 O +CONECT 4963 4964 +CONECT 4964 4963 4965 +CONECT 4965 4964 +CONECT 4968 4969 +CONECT 4969 4968 4970 +CONECT 4970 4969 +END diff --git a/core/tests/data/aln_tpl/5d52-1_cut.pdb b/core/tests/data/aln_tpl/5d52-1_cut.pdb new file mode 100644 index 00000000..a73fd14b --- /dev/null +++ b/core/tests/data/aln_tpl/5d52-1_cut.pdb @@ -0,0 +1,322 @@ +ATOM 1 N GLY A 1 -7.246 -25.805 8.018 0.96 37.54 N +ATOM 2 CA GLY A 1 -8.247 -25.692 6.968 0.96 35.24 C +ATOM 3 C GLY A 1 -8.086 -24.380 6.215 0.96 34.35 C +ATOM 4 O GLY A 1 -6.997 -23.786 6.239 0.96 26.21 O +ATOM 5 N ILE A 2 -9.153 -23.913 5.562 1.00 24.74 N +ATOM 6 CA ILE A 2 -9.013 -22.752 4.695 1.00 25.20 C +ATOM 7 C ILE A 2 -8.723 -21.489 5.517 1.00 21.50 C +ATOM 8 O ILE A 2 -8.013 -20.586 5.061 1.00 22.80 O +ATOM 9 CB ILE A 2 -10.262 -22.547 3.797 1.00 28.55 C +ATOM 10 CG1 ILE A 2 -9.993 -21.463 2.751 1.00 20.96 C +ATOM 11 CG2 ILE A 2 -11.525 -22.259 4.637 1.00 27.38 C +ATOM 12 CD1 ILE A 2 -11.131 -21.307 1.741 1.00 28.43 C +ATOM 13 N VAL A 3 -9.237 -21.432 6.741 1.00 22.64 N +ATOM 14 CA VAL A 3 -8.984 -20.258 7.569 1.00 24.79 C +ATOM 15 C VAL A 3 -7.485 -20.141 7.917 1.00 27.72 C +ATOM 16 O VAL A 3 -6.905 -19.050 7.880 1.00 26.67 O +ATOM 17 CB VAL A 3 -9.823 -20.298 8.860 1.00 32.00 C +ATOM 18 CG1 VAL A 3 -9.343 -19.217 9.821 1.00 25.15 C +ATOM 19 CG2 VAL A 3 -11.312 -20.148 8.506 1.00 29.09 C +ATOM 20 N GLU A 4 -6.865 -21.277 8.243 0.86 26.07 N +ATOM 21 CA GLU A 4 -5.448 -21.291 8.593 1.00 30.76 C +ATOM 22 C GLU A 4 -4.582 -20.890 7.400 1.00 28.51 C +ATOM 23 O GLU A 4 -3.628 -20.126 7.569 1.00 28.45 O +ATOM 24 CB GLU A 4 -5.028 -22.671 9.103 1.00 31.29 C +ATOM 25 CG GLU A 4 -5.543 -22.997 10.506 1.00 44.14 C +ATOM 26 CD GLU A 4 -7.026 -23.399 10.550 1.00 58.81 C +ATOM 27 OE1 GLU A 4 -7.598 -23.809 9.507 1.00 38.93 O +ATOM 28 OE2 GLU A 4 -7.621 -23.309 11.649 1.00 67.91 O +ATOM 29 N GLN A 5 -4.928 -21.395 6.212 0.96 22.52 N +ATOM 30 CA GLN A 5 -4.136 -21.143 4.991 0.96 21.52 C +ATOM 31 C GLN A 5 -4.350 -19.754 4.349 0.96 27.08 C +ATOM 32 O GLN A 5 -3.428 -19.224 3.712 0.96 22.00 O +ATOM 33 CB GLN A 5 -4.422 -22.218 3.930 0.96 23.76 C +ATOM 34 CG GLN A 5 -4.170 -23.658 4.386 0.96 34.88 C +ATOM 35 CD GLN A 5 -2.779 -23.854 5.026 0.96 44.17 C +ATOM 36 OE1 GLN A 5 -1.772 -23.334 4.535 0.96 33.43 O +ATOM 37 NE2 GLN A 5 -2.729 -24.607 6.127 0.96 37.57 N +ATOM 38 N SER A 12 -3.568 -17.972 -1.595 1.00 20.07 N +ATOM 39 CA SER A 12 -3.051 -18.076 -2.968 1.00 17.86 C +ATOM 40 C SER A 12 -4.117 -18.666 -3.883 1.00 19.04 C +ATOM 41 O SER A 12 -5.026 -19.324 -3.406 1.00 16.35 O +ATOM 42 CB SER A 12 -1.808 -18.954 -3.004 1.00 23.72 C +ATOM 43 OG SER A 12 -2.125 -20.327 -2.793 1.00 21.65 O +ATOM 44 N LEU A 13 -3.977 -18.474 -5.191 1.00 17.89 N +ATOM 45 CA LEU A 13 -4.988 -18.979 -6.140 1.00 16.11 C +ATOM 46 C LEU A 13 -5.053 -20.506 -6.123 1.00 19.21 C +ATOM 47 O LEU A 13 -6.133 -21.104 -6.193 1.00 17.40 O +ATOM 48 CB LEU A 13 -4.680 -18.477 -7.555 1.00 16.01 C +ATOM 49 CG LEU A 13 -5.641 -18.927 -8.656 1.00 18.23 C +ATOM 50 CD1 LEU A 13 -7.055 -18.503 -8.331 1.00 19.39 C +ATOM 51 CD2 LEU A 13 -5.198 -18.324 -9.978 1.00 17.70 C +ATOM 52 N TYR A 14 -3.883 -21.128 -6.020 0.94 19.87 N +ATOM 53 CA TYR A 14 -3.771 -22.577 -5.929 0.94 19.85 C +ATOM 54 C TYR A 14 -4.663 -23.125 -4.824 0.94 24.26 C +ATOM 55 O TYR A 14 -5.420 -24.078 -5.029 0.94 23.88 O +ATOM 56 CB TYR A 14 -2.313 -22.960 -5.660 0.94 27.85 C +ATOM 57 CG TYR A 14 -2.060 -24.448 -5.686 0.94 33.53 C +ATOM 58 CD1 TYR A 14 -1.423 -25.049 -6.778 0.94 34.32 C +ATOM 59 CD2 TYR A 14 -2.438 -25.252 -4.614 0.94 30.29 C +ATOM 60 CE1 TYR A 14 -1.197 -26.423 -6.798 0.94 32.43 C +ATOM 61 CE2 TYR A 14 -2.228 -26.611 -4.626 0.94 34.32 C +ATOM 62 CZ TYR A 14 -1.602 -27.195 -5.708 0.94 36.66 C +ATOM 63 OH TYR A 14 -1.400 -28.555 -5.695 0.94 51.30 O +ATOM 64 N GLN A 15 -4.550 -22.523 -3.636 0.97 18.73 N +ATOM 65 CA GLN A 15 -5.325 -22.967 -2.472 0.97 25.24 C +ATOM 66 C GLN A 15 -6.827 -22.693 -2.586 0.97 20.08 C +ATOM 67 O GLN A 15 -7.648 -23.550 -2.232 0.97 19.68 O +ATOM 68 CB GLN A 15 -4.779 -22.305 -1.202 0.97 22.47 C +ATOM 69 CG GLN A 15 -3.415 -22.821 -0.827 0.97 25.71 C +ATOM 70 CD GLN A 15 -3.491 -24.235 -0.323 0.97 44.45 C +ATOM 71 OE1 GLN A 15 -4.384 -24.566 0.461 0.97 44.27 O +ATOM 72 NE2 GLN A 15 -2.569 -25.091 -0.781 0.97 37.81 N +ATOM 73 N LEU A 16 -7.197 -21.516 -3.084 1.00 16.17 N +ATOM 74 CA LEU A 16 -8.624 -21.223 -3.244 1.00 16.25 C +ATOM 75 C LEU A 16 -9.322 -22.222 -4.179 1.00 19.04 C +ATOM 76 O LEU A 16 -10.435 -22.677 -3.903 1.00 18.54 O +ATOM 77 CB LEU A 16 -8.830 -19.804 -3.791 1.00 20.87 C +ATOM 78 CG LEU A 16 -8.671 -18.672 -2.792 1.00 21.02 C +ATOM 79 CD1 LEU A 16 -8.591 -17.359 -3.564 1.00 21.88 C +ATOM 80 CD2 LEU A 16 -9.830 -18.660 -1.808 1.00 21.62 C +ATOM 81 N GLU A 17 -8.671 -22.566 -5.294 1.00 18.89 N +ATOM 82 CA GLU A 17 -9.323 -23.426 -6.278 1.00 17.92 C +ATOM 83 C GLU A 17 -9.545 -24.839 -5.719 1.00 19.49 C +ATOM 84 O GLU A 17 -10.379 -25.569 -6.236 1.00 21.45 O +ATOM 85 CB GLU A 17 -8.527 -23.472 -7.589 1.00 15.48 C +ATOM 86 CG GLU A 17 -8.766 -22.246 -8.472 1.00 15.89 C +ATOM 87 CD GLU A 17 -8.300 -22.442 -9.924 1.00 25.52 C +ATOM 88 OE1 GLU A 17 -7.327 -23.202 -10.174 1.00 20.98 O +ATOM 89 OE2 GLU A 17 -8.904 -21.829 -10.822 1.00 21.91 O +ATOM 90 N ASN A 18 -8.809 -25.217 -4.675 1.00 15.93 N +ATOM 91 CA ASN A 18 -9.064 -26.513 -4.030 1.00 21.51 C +ATOM 92 C ASN A 18 -10.461 -26.595 -3.419 1.00 26.23 C +ATOM 93 O ASN A 18 -10.945 -27.694 -3.124 1.00 25.14 O +ATOM 94 CB ASN A 18 -8.031 -26.787 -2.948 1.00 20.06 C +ATOM 95 CG ASN A 18 -6.669 -27.196 -3.526 1.00 26.37 C +ATOM 96 OD1 ASN A 18 -6.573 -27.671 -4.666 1.00 28.17 O +ATOM 97 ND2 ASN A 18 -5.618 -27.007 -2.740 1.00 31.83 N +ATOM 98 N TYR A 19 -11.096 -25.443 -3.195 1.00 20.00 N +ATOM 99 CA TYR A 19 -12.421 -25.438 -2.554 1.00 23.06 C +ATOM 100 C TYR A 19 -13.574 -25.163 -3.536 1.00 27.23 C +ATOM 101 O TYR A 19 -14.733 -25.035 -3.120 1.00 23.44 O +ATOM 102 CB TYR A 19 -12.440 -24.427 -1.398 1.00 22.03 C +ATOM 103 CG TYR A 19 -11.516 -24.826 -0.270 1.00 23.81 C +ATOM 104 CD1 TYR A 19 -10.174 -24.461 -0.284 1.00 26.32 C +ATOM 105 CD2 TYR A 19 -11.973 -25.617 0.789 1.00 33.38 C +ATOM 106 CE1 TYR A 19 -9.323 -24.838 0.729 1.00 26.07 C +ATOM 107 CE2 TYR A 19 -11.130 -26.000 1.809 1.00 28.72 C +ATOM 108 CZ TYR A 19 -9.805 -25.616 1.768 1.00 32.20 C +ATOM 109 OH TYR A 19 -8.948 -25.980 2.775 1.00 39.65 O +ATOM 110 N CYS A 20 -13.274 -25.068 -4.835 0.96 19.60 N +ATOM 111 CA CYS A 20 -14.343 -25.004 -5.844 0.96 19.26 C +ATOM 112 C CYS A 20 -14.985 -26.380 -5.998 0.96 27.17 C +ATOM 113 O CYS A 20 -14.325 -27.392 -5.747 0.96 29.22 O +ATOM 114 CB CYS A 20 -13.818 -24.533 -7.204 0.96 23.22 C +ATOM 115 SG CYS A 20 -13.010 -22.932 -7.224 0.96 19.45 S +ATOM 116 N ASN A 21 -16.248 -26.433 -6.415 0.91 23.02 N +ATOM 117 CA ASN A 21 -16.884 -27.735 -6.696 0.91 30.01 C +ATOM 118 C ASN A 21 -16.483 -28.275 -8.055 0.91 35.48 C +ATOM 119 O ASN A 21 -15.883 -27.596 -8.894 0.91 36.19 O +ATOM 120 CB ASN A 21 -18.414 -27.662 -6.658 0.91 27.31 C +ATOM 121 CG ASN A 21 -18.951 -27.265 -5.310 0.91 32.14 C +ATOM 122 OD1 ASN A 21 -18.528 -27.784 -4.282 0.91 37.42 O +ATOM 123 ND2 ASN A 21 -19.891 -26.324 -5.305 0.91 34.73 N +ATOM 124 OXT ASN A 21 -16.796 -29.422 -8.345 0.91 45.73 O +TER 125 ASN A 21 +ATOM 126 N PHE B 1 -6.420 -9.634 -6.004 0.93 36.49 N +ATOM 127 CA PHE B 1 -7.262 -9.832 -4.837 0.93 36.09 C +ATOM 128 C PHE B 1 -7.081 -11.183 -4.101 0.93 33.51 C +ATOM 129 O PHE B 1 -7.674 -11.370 -3.032 0.93 34.32 O +ATOM 130 CB PHE B 1 -8.745 -9.665 -5.234 0.93 39.69 C +ATOM 131 CG PHE B 1 -9.245 -10.680 -6.233 0.93 31.23 C +ATOM 132 CD1 PHE B 1 -10.269 -11.541 -5.905 0.93 36.81 C +ATOM 133 CD2 PHE B 1 -8.697 -10.772 -7.490 0.93 35.99 C +ATOM 134 CE1 PHE B 1 -10.733 -12.467 -6.821 0.93 33.18 C +ATOM 135 CE2 PHE B 1 -9.154 -11.707 -8.402 0.93 34.35 C +ATOM 136 CZ PHE B 1 -10.176 -12.544 -8.066 0.93 27.69 C +ATOM 137 N VAL B 2 -6.287 -12.114 -4.638 1.00 23.59 N +ATOM 138 CA VAL B 2 -6.165 -13.419 -3.985 1.00 22.21 C +ATOM 139 C VAL B 2 -4.923 -13.548 -3.088 1.00 23.32 C +ATOM 140 O VAL B 2 -4.920 -14.333 -2.141 1.00 24.29 O +ATOM 141 CB VAL B 2 -6.151 -14.570 -4.999 1.00 28.74 C +ATOM 142 CG1 VAL B 2 -7.514 -14.665 -5.719 1.00 28.20 C +ATOM 143 CG2 VAL B 2 -5.023 -14.390 -6.014 1.00 31.47 C +ATOM 144 N ASN B 3 -3.876 -12.782 -3.374 0.97 21.56 N +ATOM 145 CA ASN B 3 -2.614 -12.961 -2.644 0.97 20.38 C +ATOM 146 C ASN B 3 -2.500 -12.038 -1.417 0.97 25.47 C +ATOM 147 O ASN B 3 -1.593 -11.211 -1.325 0.97 23.49 O +ATOM 148 CB ASN B 3 -1.440 -12.741 -3.601 0.97 22.47 C +ATOM 149 CG ASN B 3 -1.429 -13.768 -4.723 0.97 26.59 C +ATOM 150 OD1 ASN B 3 -1.716 -13.442 -5.885 0.97 31.36 O +ATOM 151 ND2 ASN B 3 -1.157 -15.006 -4.374 0.97 21.03 N +ATOM 152 N GLN B 4 -3.426 -12.198 -0.473 0.93 21.56 N +ATOM 153 CA GLN B 4 -3.441 -11.400 0.764 0.93 19.85 C +ATOM 154 C GLN B 4 -4.135 -12.198 1.888 0.93 21.71 C +ATOM 155 O GLN B 4 -4.559 -13.350 1.672 0.93 18.59 O +ATOM 156 CB GLN B 4 -4.156 -10.071 0.522 0.93 22.50 C +ATOM 157 CG GLN B 4 -5.586 -10.273 0.077 0.93 20.79 C +ATOM 158 CD GLN B 4 -6.286 -8.965 -0.209 0.93 34.77 C +ATOM 159 OE1 GLN B 4 -6.597 -8.213 0.710 0.93 44.38 O +ATOM 160 NE2 GLN B 4 -6.534 -8.685 -1.480 0.93 33.92 N +ATOM 161 N HIS B 5 -4.208 -11.622 3.089 0.97 18.56 N +ATOM 162 CA HIS B 5 -4.977 -12.246 4.165 0.97 17.98 C +ATOM 163 C HIS B 5 -6.464 -12.017 3.864 0.97 21.81 C +ATOM 164 O HIS B 5 -6.893 -10.857 3.696 0.97 20.05 O +ATOM 165 CB HIS B 5 -4.639 -11.648 5.544 0.97 18.65 C +ATOM 166 CG HIS B 5 -3.219 -11.837 5.971 0.97 23.46 C +ATOM 167 ND1 HIS B 5 -2.791 -12.939 6.687 0.97 23.34 N +ATOM 168 CD2 HIS B 5 -2.133 -11.040 5.830 0.97 24.37 C +ATOM 169 CE1 HIS B 5 -1.499 -12.831 6.933 0.97 25.19 C +ATOM 170 NE2 HIS B 5 -1.073 -11.692 6.420 0.97 26.12 N +ATOM 171 N LEU B 6 -7.231 -13.103 3.778 1.00 19.52 N +ATOM 172 CA LEU B 6 -8.671 -13.043 3.457 1.00 18.17 C +ATOM 173 C LEU B 6 -9.449 -13.694 4.587 1.00 19.14 C +ATOM 174 O LEU B 6 -9.310 -14.903 4.795 1.00 17.60 O +ATOM 175 CB LEU B 6 -8.965 -13.775 2.127 1.00 17.61 C +ATOM 176 CG LEU B 6 -8.286 -13.183 0.886 1.00 18.49 C +ATOM 177 CD1 LEU B 6 -8.446 -14.113 -0.327 1.00 24.84 C +ATOM 178 CD2 LEU B 6 -8.838 -11.786 0.602 1.00 24.63 C +ATOM 179 N CYS B 7 -10.273 -12.918 5.303 0.95 15.25 N +ATOM 180 CA CYS B 7 -11.034 -13.479 6.436 0.95 17.79 C +ATOM 181 C CYS B 7 -12.523 -13.124 6.340 0.95 18.72 C +ATOM 182 O CYS B 7 -12.867 -12.058 5.797 0.95 16.06 O +ATOM 183 CB CYS B 7 -10.499 -12.950 7.773 0.95 18.51 C +ATOM 184 SG CYS B 7 -8.694 -13.076 7.988 0.95 23.37 S +ATOM 185 N GLY B 8 -13.383 -13.990 6.877 1.00 18.08 N +ATOM 186 CA GLY B 8 -14.805 -13.670 6.974 1.00 20.80 C +ATOM 187 C GLY B 8 -15.440 -13.401 5.625 1.00 21.43 C +ATOM 188 O GLY B 8 -15.207 -14.150 4.659 1.00 17.90 O +ATOM 189 N SER B 9 -16.255 -12.347 5.523 1.00 14.91 N +ATOM 190 CA SER B 9 -16.961 -12.123 4.260 1.00 15.26 C +ATOM 191 C SER B 9 -15.999 -11.878 3.092 1.00 16.00 C +ATOM 192 O SER B 9 -16.358 -12.117 1.935 1.00 15.58 O +ATOM 193 CB SER B 9 -17.933 -10.936 4.383 1.00 15.39 C +ATOM 194 OG SER B 9 -17.229 -9.738 4.657 1.00 19.01 O +ATOM 195 N HIS B 10 -14.798 -11.373 3.393 0.97 13.09 N +ATOM 196 CA HIS B 10 -13.770 -11.103 2.372 0.97 16.40 C +ATOM 197 C HIS B 10 -13.272 -12.409 1.708 0.97 15.13 C +ATOM 198 O HIS B 10 -12.933 -12.441 0.521 0.97 18.10 O +ATOM 199 CB HIS B 10 -12.570 -10.355 2.997 0.97 19.68 C +ATOM 200 CG HIS B 10 -12.914 -9.046 3.666 0.97 30.89 C +ATOM 201 ND1 HIS B 10 -11.966 -8.072 3.926 0.97 35.73 N +ATOM 202 CD2 HIS B 10 -14.089 -8.551 4.141 0.97 34.99 C +ATOM 203 CE1 HIS B 10 -12.544 -7.029 4.503 0.97 35.88 C +ATOM 204 NE2 HIS B 10 -13.832 -7.293 4.648 0.97 34.62 N +ATOM 205 N LEU B 11 -13.245 -13.489 2.484 1.00 14.69 N +ATOM 206 CA LEU B 11 -12.812 -14.812 1.994 1.00 13.20 C +ATOM 207 C LEU B 11 -13.891 -15.427 1.113 1.00 16.15 C +ATOM 208 O LEU B 11 -13.615 -15.967 0.038 1.00 15.54 O +ATOM 209 CB LEU B 11 -12.499 -15.741 3.182 1.00 16.61 C +ATOM 210 CG LEU B 11 -12.031 -17.172 2.868 1.00 18.99 C +ATOM 211 CD1 LEU B 11 -10.870 -17.140 1.893 1.00 19.21 C +ATOM 212 CD2 LEU B 11 -11.615 -17.854 4.148 1.00 19.28 C +ATOM 213 N VAL B 12 -15.142 -15.351 1.574 1.00 14.20 N +ATOM 214 CA VAL B 12 -16.287 -15.852 0.847 0.53 14.73 C +ATOM 215 C VAL B 12 -16.409 -15.147 -0.521 1.00 16.13 C +ATOM 216 O VAL B 12 -16.741 -15.742 -1.555 1.00 15.47 O +ATOM 217 CB VAL B 12 -17.546 -15.640 1.723 0.53 16.94 C +ATOM 218 CG1 VAL B 12 -18.729 -16.040 1.019 0.53 16.44 C +ATOM 219 CG2 VAL B 12 -17.431 -16.432 3.023 0.53 20.51 C +ATOM 220 N GLU B 13 -16.172 -13.846 -0.509 0.97 15.04 N +ATOM 221 CA GLU B 13 -16.266 -13.048 -1.723 0.97 15.18 C +ATOM 222 C GLU B 13 -15.196 -13.523 -2.748 0.97 15.86 C +ATOM 223 O GLU B 13 -15.471 -13.653 -3.943 0.97 13.25 O +ATOM 224 CB GLU B 13 -16.095 -11.574 -1.358 0.97 18.68 C +ATOM 225 CG GLU B 13 -15.659 -10.703 -2.464 0.97 24.81 C +ATOM 226 CD GLU B 13 -15.722 -9.229 -2.044 0.97 28.82 C +ATOM 227 OE1 GLU B 13 -16.839 -8.770 -1.672 0.97 22.95 O +ATOM 228 OE2 GLU B 13 -14.649 -8.567 -2.054 0.97 31.65 O +ATOM 229 N ALA B 14 -13.981 -13.788 -2.275 1.00 14.38 N +ATOM 230 CA ALA B 14 -12.920 -14.317 -3.158 1.00 17.39 C +ATOM 231 C ALA B 14 -13.268 -15.671 -3.752 1.00 15.60 C +ATOM 232 O ALA B 14 -13.043 -15.882 -4.959 1.00 17.26 O +ATOM 233 CB ALA B 14 -11.587 -14.402 -2.386 1.00 16.85 C +ATOM 234 N LEU B 15 -13.774 -16.603 -2.932 1.00 13.12 N +ATOM 235 CA LEU B 15 -14.236 -17.911 -3.427 1.00 12.70 C +ATOM 236 C LEU B 15 -15.313 -17.748 -4.490 1.00 17.17 C +ATOM 237 O LEU B 15 -15.288 -18.408 -5.534 1.00 15.13 O +ATOM 238 CB LEU B 15 -14.764 -18.787 -2.289 1.00 12.40 C +ATOM 239 CG LEU B 15 -13.675 -19.392 -1.399 1.00 17.26 C +ATOM 240 CD1 LEU B 15 -14.261 -19.969 -0.107 1.00 21.09 C +ATOM 241 CD2 LEU B 15 -12.921 -20.469 -2.136 1.00 18.43 C +ATOM 242 N TYR B 16 -16.247 -16.839 -4.243 1.00 16.24 N +ATOM 243 CA TYR B 16 -17.305 -16.534 -5.224 1.00 17.04 C +ATOM 244 C TYR B 16 -16.754 -16.112 -6.591 1.00 18.67 C +ATOM 245 O TYR B 16 -17.195 -16.634 -7.618 1.00 16.38 O +ATOM 246 CB TYR B 16 -18.213 -15.427 -4.684 1.00 14.83 C +ATOM 247 CG TYR B 16 -19.250 -14.920 -5.670 1.00 15.58 C +ATOM 248 CD1 TYR B 16 -20.319 -15.715 -6.062 1.00 18.48 C +ATOM 249 CD2 TYR B 16 -19.175 -13.616 -6.186 1.00 14.61 C +ATOM 250 CE1 TYR B 16 -21.298 -15.232 -6.984 1.00 17.23 C +ATOM 251 CE2 TYR B 16 -20.126 -13.123 -7.076 1.00 17.34 C +ATOM 252 CZ TYR B 16 -21.194 -13.937 -7.483 1.00 19.35 C +ATOM 253 OH TYR B 16 -22.148 -13.406 -8.365 1.00 18.43 O +ATOM 254 N GLY B 23 -19.350 -23.047 -8.360 0.96 25.10 N +ATOM 255 CA GLY B 23 -19.599 -22.883 -6.933 0.96 21.70 C +ATOM 256 C GLY B 23 -18.475 -23.391 -6.041 0.96 21.12 C +ATOM 257 O GLY B 23 -17.380 -23.748 -6.517 0.96 22.38 O +ATOM 258 N PHE B 24 -18.736 -23.440 -4.741 1.00 16.93 N +ATOM 259 CA PHE B 24 -17.685 -23.759 -3.782 1.00 17.02 C +ATOM 260 C PHE B 24 -18.274 -24.253 -2.472 1.00 19.40 C +ATOM 261 O PHE B 24 -19.501 -24.172 -2.254 1.00 21.96 O +ATOM 262 CB PHE B 24 -16.802 -22.521 -3.538 1.00 18.37 C +ATOM 263 CG PHE B 24 -17.555 -21.338 -2.938 1.00 19.09 C +ATOM 264 CD1 PHE B 24 -18.154 -20.395 -3.761 1.00 21.52 C +ATOM 265 CD2 PHE B 24 -17.683 -21.201 -1.551 1.00 23.22 C +ATOM 266 CE1 PHE B 24 -18.866 -19.304 -3.234 1.00 21.38 C +ATOM 267 CE2 PHE B 24 -18.389 -20.111 -1.003 1.00 17.68 C +ATOM 268 CZ PHE B 24 -18.983 -19.165 -1.851 1.00 17.86 C +ATOM 269 N PHE B 25 -17.421 -24.750 -1.594 0.92 19.74 N +ATOM 270 CA PHE B 25 -17.856 -24.971 -0.229 0.92 21.37 C +ATOM 271 C PHE B 25 -16.958 -24.242 0.756 0.92 27.41 C +ATOM 272 O PHE B 25 -15.746 -24.120 0.565 0.92 25.94 O +ATOM 273 CB PHE B 25 -17.918 -26.455 0.093 0.92 28.15 C +ATOM 274 CG PHE B 25 -16.636 -27.171 -0.093 0.92 32.79 C +ATOM 275 CD1 PHE B 25 -16.282 -27.673 -1.345 0.92 36.37 C +ATOM 276 CD2 PHE B 25 -15.779 -27.366 0.983 0.92 43.52 C +ATOM 277 CE1 PHE B 25 -15.075 -28.357 -1.525 0.92 49.26 C +ATOM 278 CE2 PHE B 25 -14.569 -28.052 0.818 0.92 42.38 C +ATOM 279 CZ PHE B 25 -14.217 -28.550 -0.438 0.92 44.18 C +ATOM 280 N TYR B 26 -17.577 -23.741 1.812 0.99 23.33 N +ATOM 281 CA TYR B 26 -16.893 -22.946 2.813 0.99 21.74 C +ATOM 282 C TYR B 26 -17.044 -23.605 4.179 0.99 28.01 C +ATOM 283 O TYR B 26 -18.157 -23.706 4.704 0.99 22.87 O +ATOM 284 CB TYR B 26 -17.457 -21.532 2.828 0.99 21.52 C +ATOM 285 CG TYR B 26 -16.951 -20.674 3.967 0.99 24.62 C +ATOM 286 CD1 TYR B 26 -17.806 -20.260 4.996 0.99 26.27 C +ATOM 287 CD2 TYR B 26 -15.627 -20.246 4.003 0.99 25.04 C +ATOM 288 CE1 TYR B 26 -17.348 -19.464 6.020 0.99 25.34 C +ATOM 289 CE2 TYR B 26 -15.163 -19.454 5.024 0.99 29.38 C +ATOM 290 CZ TYR B 26 -16.031 -19.066 6.037 0.99 31.74 C +ATOM 291 OH TYR B 26 -15.577 -18.273 7.064 0.99 30.88 O +ATOM 292 N THR B 27 -15.928 -24.069 4.732 0.99 26.36 N +ATOM 293 CA THR B 27 -15.931 -24.817 5.982 1.00 36.20 C +ATOM 294 C THR B 27 -14.879 -24.223 6.913 1.00 35.29 C +ATOM 295 O THR B 27 -13.713 -24.606 6.856 1.00 40.53 O +ATOM 296 CB THR B 27 -15.643 -26.334 5.743 1.00 48.39 C +ATOM 297 OG1 THR B 27 -14.389 -26.490 5.059 1.00 55.78 O +ATOM 298 CG2 THR B 27 -16.737 -26.966 4.898 1.00 35.59 C +ATOM 299 N PRO B 28 -15.280 -23.263 7.754 1.00 31.73 N +ATOM 300 CA PRO B 28 -14.305 -22.569 8.606 1.00 40.27 C +ATOM 301 C PRO B 28 -13.773 -23.406 9.774 1.00 48.15 C +ATOM 302 O PRO B 28 -12.723 -23.062 10.319 1.00 44.45 O +ATOM 303 CB PRO B 28 -15.092 -21.363 9.127 1.00 37.28 C +ATOM 304 CG PRO B 28 -16.523 -21.768 9.046 1.00 31.62 C +ATOM 305 CD PRO B 28 -16.621 -22.653 7.834 1.00 36.69 C +ATOM 306 N LYS B 29 -14.483 -24.467 10.151 0.94 49.56 N +ATOM 307 CA LYS B 29 -14.056 -25.316 11.264 0.94 56.37 C +ATOM 308 C LYS B 29 -13.652 -26.699 10.783 0.94 61.59 C +ATOM 309 O LYS B 29 -13.873 -27.684 11.474 0.94 69.77 O +ATOM 310 CB LYS B 29 -15.158 -25.450 12.322 0.94 56.92 C +ATOM 311 CG LYS B 29 -15.598 -24.141 12.967 0.94 61.36 C +ATOM 312 CD LYS B 29 -14.479 -23.463 13.744 0.94 71.95 C +ATOM 313 CE LYS B 29 -14.941 -22.112 14.279 0.94 73.59 C +ATOM 314 NZ LYS B 29 -13.873 -21.408 15.042 0.94 79.17 N +ATOM 315 N ALA B 30 -13.071 -26.772 9.592 1.00 62.85 N +ATOM 316 CA ALA B 30 -12.506 -28.024 9.094 1.00 75.73 C +ATOM 317 C ALA B 30 -11.070 -27.801 8.633 1.00 87.30 C +ATOM 318 O ALA B 30 -10.212 -28.681 8.728 1.00 89.48 O +ATOM 319 CB ALA B 30 -13.349 -28.588 7.962 1.00 65.65 C +ATOM 320 OXT ALA B 30 -10.736 -26.715 8.159 1.00 85.55 O +TER 321 ALA B 30 +END diff --git a/core/tests/data/aln_tpl/5d52-1_cut_A.fasta b/core/tests/data/aln_tpl/5d52-1_cut_A.fasta new file mode 100644 index 00000000..5d54de24 --- /dev/null +++ b/core/tests/data/aln_tpl/5d52-1_cut_A.fasta @@ -0,0 +1,4 @@ +>trg +GIVEQCCTSICSLYQLENYCN +>A +GIVEQ------SLYQLENYCN diff --git a/core/tests/data/aln_tpl/5d52-1_cut_B.fasta b/core/tests/data/aln_tpl/5d52-1_cut_B.fasta new file mode 100644 index 00000000..b0afff15 --- /dev/null +++ b/core/tests/data/aln_tpl/5d52-1_cut_B.fasta @@ -0,0 +1,4 @@ +>trg +FVNQHLCGSHLVEALYLVCGERGFFYTPKA +>B +FVNQHLCGSHLVEALY------GFFYTPKA diff --git a/core/tests/data/fasta/1ake.fas b/core/tests/data/fasta/1ake.fas index 6e08a6c4..6a3174f1 100644 --- a/core/tests/data/fasta/1ake.fas +++ b/core/tests/data/fasta/1ake.fas @@ -1,8 +1,8 @@ > 1AKE.B -MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG -FLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ -EETVRKRLVEYHQMTAPLIGYYYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEKILG +APGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLIGYYYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEK > target --------APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG -FLLDGFPRTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ -EETVRKRLVEYHQMTAPLL--YYYYKEAEAGNTKYAKVDGTKPVAEVRADLEKILG--- +APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLL--YYYYKEAEAGNTKYAKVDGTKPVAEVRADLEKILG diff --git a/core/tests/data/fasta/1ake.fas.gz b/core/tests/data/fasta/1ake.fas.gz index bb5e75d520a68a70bc4d67b94bf43b8fae4174f0..4faef03c7cfb0870850ab9028ac4bc3e6e82d595 100644 GIT binary patch literal 223 zcmb2|=HQ62{2Ru=Y?zpxs+X2n%&_#lVU~*{N5jK^bCdK98e<X;x*S*kC1>2n5xk7! z<>7nteH3!GuDo{2ss6{h>EQuYmA4ldZYU~w5z2Sz<fUCb2{vaKgV_0vuJLshJ=nFC zN5z}bTUGo;%lo<_Q|EQLpCcF@ET%L(^_i0yVtBi1lFRgz?{^mRew$OBWgC52CF}@~ z+9r<pYW1#?uV*JcyVu{4cBuGl#M7&G&gvOT?b~#gGAw15dReyjj@`cfcKQDw&-h>P h`hDe{t|`w8!%nS#$M{Z9`0-nIVTY@`cQG<B000S_Y5f2I literal 230 zcmb2|=HNK^;%q1rvteR(s$N=RF~ib+!z>m<9@pymN%{tjF$s>HCQ^!(8&VYuW-2Y= zudctQs2QYk^`F<#>%aHBekwU-UYu8{pmE!=1E(%7d>`bg?)}=RY2z&BC46!zYh*>1 zK6(|!Hfd?Y(n;JUhr;c5zDYY#{W*fcVTIR$BDHfSw+wGrO>&u@^4(?u@3%Sbuj;lf z^IX#*>60S3?_FGnQtaJH&n{*=7(cW;{z&hWq?Mzv<(8-0avfeaxM>}GTD5a;ZQY*x or@qatSDjg}68^IA<ocDzRdd(<QT%zkfOo2Ovi}E;Q;ZA@06H~ntpET3 diff --git a/core/tests/data/fasta/1ake_1.fas b/core/tests/data/fasta/1ake_1.fas new file mode 100644 index 00000000..b12f40e2 --- /dev/null +++ b/core/tests/data/fasta/1ake_1.fas @@ -0,0 +1,4 @@ +> target +MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG +FLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ +EETVRKRLVEYHQMTAPLIGYYYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG diff --git a/core/tests/data/fasta/1ake_2trg.fas b/core/tests/data/fasta/1ake_2trg.fas new file mode 100644 index 00000000..4522faeb --- /dev/null +++ b/core/tests/data/fasta/1ake_2trg.fas @@ -0,0 +1,12 @@ +> target +APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLL--YYYYKEAEAGNTKYAKVDGTKPVAEVRADLEKILG +> 1AKE.B +APGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLIGYYYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEK +> target +APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLL--YYYYKEAEAGNTKYAKVDGTKPVAEVRADLEKILG diff --git a/core/tests/data/fasta/1ake_3.fas b/core/tests/data/fasta/1ake_3.fas index 859543a4..3d372d99 100644 --- a/core/tests/data/fasta/1ake_3.fas +++ b/core/tests/data/fasta/1ake_3.fas @@ -1,12 +1,12 @@ +> target +APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLL--YYYYKEAEAGNTKYAKVDGTKPVAEVRADLEKILG > 1AKE.B -MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG -FLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ -EETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEKILG +APGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLIGYYYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEK > 1AKE.B -MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG -FLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ -EETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEKILG -> target --------APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG -FLLDGFPRTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ -EETVRKRLVEYHQMTAPLLYYYYKEAEAGNTKYAKVDGTKPVAEVRADLEKILG--- +APGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLIGYYYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEK diff --git a/core/tests/data/fasta/1ake_nel.fas b/core/tests/data/fasta/1ake_nel.fas index a1ac37bf..c7574463 100644 --- a/core/tests/data/fasta/1ake_nel.fas +++ b/core/tests/data/fasta/1ake_nel.fas @@ -1,8 +1,8 @@ > 1AKE.B -MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG -FLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ -EETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG +APGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLIGYYYYSKEAEAGNTKYAKVDGTKPVAEVRADLEK > target --------APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG -FLLDGFPRTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ -EETVRKRLVEYHQMTAPLLYYYYKEAEAGNTKYAKVDGTKPVAEVRADLEKILG--- +APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLL--YYYYKEAEAGNTKYAKVDGTKPVAEVRADLEKILG diff --git a/core/tests/data/fasta/1ake_sw.fas b/core/tests/data/fasta/1ake_sw.fas index ed5f3c08..0f2edda1 100644 --- a/core/tests/data/fasta/1ake_sw.fas +++ b/core/tests/data/fasta/1ake_sw.fas @@ -1,9 +1,8 @@ > target --------APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG -FLLDGFPRTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ -EETVRKRLVEYHQMTAPLL--YYYYKEAEAGNTKYAKVDGTKPVAEVRADLEKILG--- +APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLL--YYYYKEAEAGNTKYAKVDGTKPVAEVRADLEKILG > 1AKE.B -MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNG -FLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQ -EETVRKRLVEYHQMTAPLIGYYYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEKILG - +APGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFP +RTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKR +LVEYHQMTAPLIGYYYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEK diff --git a/core/tests/test_pm3argparse.py b/core/tests/test_pm3argparse.py index 350a37a8..daa54464 100644 --- a/core/tests/test_pm3argparse.py +++ b/core/tests/test_pm3argparse.py @@ -105,78 +105,20 @@ class PM3ArgParseTests(unittest.TestCase): 'test.\n\noptional arguments:\n -h, --help show '+ 'this help message and exit']) - def testAddAlignmentNoTrgArg(self): - # check failure on missing trg: argument - parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) - parser.AddAlignment() - parser.AssembleParser() - with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'data/fasta/alignment.fas']) - self.assertEqual(ecd.exception.code, 2) - self.assertEqual(len(self.log.messages['ERROR']), 2) - self.assertEqual(self.log.messages['ERROR'], - ['usage: test_pm3argparse.py [-h] (-f trg:<NAME> '+ - '<FILE> | -j <OBJECT>|<FILE>)', - 'test_pm3argparse.py: error: argument -f/--fasta: '+ - 'expected 2 argument(s)']) - def testAddAlignmentNoFileArg(self): # check failure on missing file argument parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) parser.AddAlignment() parser.AssembleParser() with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'trg:target']) + parser.Parse(['--fasta']) self.assertEqual(ecd.exception.code, 2) self.assertEqual(len(self.log.messages['ERROR']), 2) self.assertEqual(self.log.messages['ERROR'], - ['usage: test_pm3argparse.py [-h] (-f trg:<NAME> '+ - '<FILE> | -j <OBJECT>|<FILE>)', + ['usage: test_pm3argparse.py [-h] (-f '+ + '<FILE> | -c <FILE> | -j <OBJECT>|<FILE>)', 'test_pm3argparse.py: error: argument -f/--fasta: '+ - 'expected 2 argument(s)']) - - def testAddAlignemntNoTrgPfx(self): - # checking that we fail on missing 'trg:' prefix for arguments of - # --fasta - parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) - parser.AddAlignment() - parser.AssembleParser() - with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'foo', 'bar']) - self.assertEqual(ecd.exception.code, 11) - self.assertEqual(len(self.log.messages['ERROR']), 1) - self.assertEqual(self.log.messages['ERROR'][0], - "'--fasta foo bar' requires one "+ - "argument prefixed with 'trg:' marking the target "+ - "sequence name") - - def testAddAlignemntEmptyTrgPfx(self): - # checking that we fail on empty 'trg:' prefix for arguments of - # --fasta - parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) - parser.AddAlignment() - parser.AssembleParser() - with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'trg:', 'bar']) - self.assertEqual(ecd.exception.code, 14) - self.assertEqual(len(self.log.messages['ERROR']), 1) - self.assertEqual(self.log.messages['ERROR'][0], "'--fasta trg: bar' "+ - "requires argument 'trg:' defining the target "+ - "sequence name, empty one found: 'trg: bar'") - - def testAddAlignemntSwapTrgPfx(self): - # checking that we fail on empty 'trg:' prefix for arguments of - # --fasta - parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) - parser.AddAlignment() - parser.AssembleParser() - with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'bar', 'trg:']) - self.assertEqual(ecd.exception.code, 14) - self.assertEqual(len(self.log.messages['ERROR']), 1) - self.assertEqual(self.log.messages['ERROR'][0], "'--fasta bar trg:' "+ - "requires argument 'trg:' defining the target "+ - "sequence name, empty one found: 'bar trg:'") + 'expected one argument']) def testAddAlignmentNoFile(self): # check that we throw an error if a non-exisiting file is given @@ -184,7 +126,7 @@ class PM3ArgParseTests(unittest.TestCase): parser.AddAlignment() parser.AssembleParser() with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'trg:foo', 'notexistingfile.fas']) + parser.Parse(['--fasta', 'notexistingfile.fas']) self.assertEqual(ecd.exception.code, 12) self.assertEqual(len(self.log.messages['ERROR']), 1) self.assertEqual(self.log.messages['ERROR'][0], @@ -196,68 +138,69 @@ class PM3ArgParseTests(unittest.TestCase): parser.AddAlignment() parser.AssembleParser() with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'trg:foo', 'data/fasta/alignment.fas']) + parser.Parse(['--fasta', 'data/fasta/alignment.fas']) self.assertEqual(ecd.exception.code, 15) self.assertEqual(len(self.log.messages['ERROR']), 1) self.assertEqual(self.log.messages['ERROR'][0], - "'--fasta trg:foo data/fasta/alignment.fas' refers "+ + "'--fasta data/fasta/alignment.fas' refers "+ "to an empty file or its in the wrong format.") - def testAddAlignmentToMany(self): + def testAddAlignmentSingleSequence(self): + # we want to fail if we get a fasta with 1 seq. parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) parser.AddAlignment() parser.AssembleParser() with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'trg:target', 'data/fasta/1ake_3.fas']) + parser.Parse(['--fasta', 'data/fasta/1ake_1.fas']) self.assertEqual(ecd.exception.code, 16) self.assertEqual(len(self.log.messages['ERROR']), 1) - self.assertEqual(self.log.messages['ERROR'][0], "'--fasta trg:target "+ - "data/fasta/1ake_3.fas' points to an alignment with "+ - "more than 2 sequences.") + self.assertEqual(self.log.messages['ERROR'][0], + "'--fasta data/fasta/1ake_1.fas' points to an "+ + "alignment with only 1 sequence.") - def testAddAlignmentMissingTargetName(self): + def testAddAlignmentToManyDisallowed(self): parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) - parser.AddAlignment() + parser.AddAlignment(allow_multitemplate=False) parser.AssembleParser() with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'trg:trg', 'data/fasta/1ake.fas']) + parser.Parse(['--fasta', 'data/fasta/1ake_3.fas']) + self.assertEqual(ecd.exception.code, 16) + self.assertEqual(len(self.log.messages['ERROR']), 1) + self.assertEqual(self.log.messages['ERROR'][0], + "'--fasta data/fasta/1ake_3.fas' points to an "+ + "alignment with more than 2 sequences and we do "+ + "not allow this.") + + def testAddAlignmentMultipleTargets(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment(allow_multitemplate=True) + parser.AssembleParser() + with self.assertRaises(SystemExit) as ecd: + parser.Parse(['--fasta', 'data/fasta/1ake_2trg.fas']) self.assertEqual(ecd.exception.code, 17) self.assertEqual(len(self.log.messages['ERROR']), 1) - self.assertEqual(self.log.messages['ERROR'][0], "'--fasta trg:trg "+ - "data/fasta/1ake.fas' does not define a target name "+ - "found in the alignment.") + self.assertEqual(self.log.messages['ERROR'][0], "'--fasta "+ + "data/fasta/1ake_2trg.fas': multiple targets found!") def testAddAlignmentDifferentSeqLens(self): parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) parser.AddAlignment() parser.AssembleParser() with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'trg:target', 'data/fasta/1ake_nel.fas']) + parser.Parse(['--fasta', 'data/fasta/1ake_nel.fas']) self.assertEqual(ecd.exception.code, 18) self.assertEqual(len(self.log.messages['ERROR']), 1) - self.assertEqual(self.log.messages['ERROR'][0], "'--fasta trg:target "+ - "data/fasta/1ake_nel.fas': sequences in the "+ - "alignment have different length.") + self.assertEqual(self.log.messages['ERROR'][0], "'--fasta "+ + "data/fasta/1ake_nel.fas': error when reading "+ + "alignment file: sequences have different lengths") def testAddAlignmentGzipIn(self): parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) parser.AddAlignment() parser.AssembleParser() - opts = parser.Parse(['--fasta', 'trg:target', - 'data/fasta/1ake.fas.gz', '--fasta', 'trg:target', - 'data/fasta/1ake.fas']) + opts = parser.Parse(['--fasta', 'data/fasta/1ake.fas.gz', + '--fasta', 'data/fasta/1ake.fas']) self.assertEqual(str(opts.alignments[0]), 'target APGAGKGTQAQFIMEKYG'+ - 'IPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQED'+ - 'CRN\n1AKE.B APGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSEL'+ - 'GKQAKDIMDAGKLVTDELVIALVKERIAQEDCRN\n\ntarget GFLLD'+ - 'GFPRTIPQADAMKEAGINVDYVLEF----ELIVDRIVGRRVHAPSGRVYHV'+ - 'KFNPPKVEGKDDVTGE\n1AKE.B GFLLDGFPRTIPQADAMKEAGINVD'+ - 'YVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGE\n\n'+ - 'target ELTTRKDDQEETVRKRLVEYHQMTAPLLYYYYKEAEAGNTKYA'+ - 'KVDGTKPVAEVRADLEKILG\n1AKE.B ELTTRKDDQEETVRKRLVEYH'+ - 'QMTAPLIGYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEK\n') - self.assertEqual(opts.alignments[0].GetSequence(1).offset, 7) - self.assertEqual(str(opts.alignments[1]), 'target APGAGKGTQAQFIMEKYG'+ 'IPQISTGGGLRAAVKS---LGKQAKDIMDAGKLVTDELVIALVKERIAQED'+ 'CRN\n1AKE.B APGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSEL'+ 'GKQAKDIMDAGKLVTDELVIALVKERIAQEDCRN\n\ntarget GFLLD'+ @@ -267,7 +210,7 @@ class PM3ArgParseTests(unittest.TestCase): 'target ELTTRKDDQEETVRKRLVEYHQMTAPLL--YYYYKEAEAGNTK'+ 'YAKVDGTKPVAEVRADLEKILG\n1AKE.B ELTTRKDDQEETVRKRLVE'+ 'YHQMTAPLIGYYYYSKEAEAGNTKYAKVDGTKPV---AEVRADLEK\n') - self.assertEqual(opts.json, None) + self.assertEqual(str(opts.alignments[0]), str(opts.alignments[1])) def testAddAlignmentGzipNoExist(self): # using a gzip FastA file which does not exist @@ -275,8 +218,7 @@ class PM3ArgParseTests(unittest.TestCase): parser.AddAlignment() parser.AssembleParser() with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'trg:target', - 'data/fasta/notthere.fas.gz']) + parser.Parse(['--fasta', 'data/fasta/notthere.fas.gz']) self.assertEqual(ecd.exception.code, 12) self.assertEqual(len(self.log.messages['ERROR']), 1) self.assertEqual(self.log.messages['ERROR'][0], @@ -287,8 +229,7 @@ class PM3ArgParseTests(unittest.TestCase): parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) parser.AddAlignment() parser.AssembleParser() - opts = parser.Parse(['--fasta', 'trg:target', - 'data/fasta/1ake.fas']) + opts = parser.Parse(['--fasta', 'data/fasta/1ake.fas']) self.assertEqual(str(opts.alignments[0].GetSequence(0)), 'APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGK'+ 'LVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEAGINVDYVL'+ @@ -299,8 +240,7 @@ class PM3ArgParseTests(unittest.TestCase): parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) parser.AddAlignment() parser.AssembleParser() - opts = parser.Parse(['--fasta', 'trg:target', - 'data/fasta/1ake_sw.fas']) + opts = parser.Parse(['--fasta', 'data/fasta/1ake_sw.fas']) self.assertEqual(str(opts.alignments[0].GetSequence(0)), 'APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKS---LGKQAKDIMDAGK'+ 'LVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEAGINVDYVL'+ @@ -312,12 +252,11 @@ class PM3ArgParseTests(unittest.TestCase): parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) parser.AddAlignment() parser.AssembleParser() - opts = parser.Parse(['--fasta', 'trg:target', - 'data/fasta/1ake.fas']) + opts = parser.Parse(['--fasta', 'data/fasta/1ake.fas']) self.assertEqual(len(opts.alignments), 1) self.assertEqual(opts.alignments[0].GetLength(), 209) self.assertEqual(opts.alignments[0].GetSequenceOffset(0), 0) - self.assertEqual(opts.alignments[0].GetSequenceOffset(1), 7) + self.assertEqual(opts.alignments[0].GetSequenceOffset(1), 0) self.assertEqual(opts.alignments[0].GetSequence(0).gapless_string, 'APGAGKGTQAQFIMEKYGIPQISTGGGLRAAVKSLGKQAKDIMDAGKLVT'+ 'DELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEAGINVDYVLEFE'+ @@ -327,6 +266,14 @@ class PM3ArgParseTests(unittest.TestCase): self.assertEqual(opts.alignments[0].GetSequence(1).name, '1AKE.B') self.assertEqual(opts.aln_sources[0], 'data/fasta/1ake.fas') + def testAddAlignmentToMany(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment(allow_multitemplate=True) + parser.AssembleParser() + opts = parser.Parse(['--fasta', 'data/fasta/1ake_3.fas']) + self.assertEqual(len(opts.alignments), 1) + self.assertEqual(opts.alignments[0].GetCount(), 3) + def testAddAlignmentNoneGiven(self): # if we have none of '--fasta', '--json', fail. parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) @@ -338,10 +285,10 @@ class PM3ArgParseTests(unittest.TestCase): self.assertEqual(len(self.log.messages['ERROR']), 2) self.assertEqual(len(self.log.messages['ERROR']), 2) self.assertEqual(self.log.messages['ERROR'], - ['usage: test_pm3argparse.py [-h] (-f trg:<NAME> '+ - '<FILE> | -j <OBJECT>|<FILE>)', + ['usage: test_pm3argparse.py [-h] (-f '+ + '<FILE> | -c <FILE> | -j <OBJECT>|<FILE>)', 'test_pm3argparse.py: error: one of the arguments '+ - '-f/--fasta -j/--json is required']) + '-f/--fasta -c/--clustal -j/--json is required']) def testAddAlignmentFastaAndJson(self): # testing that --fasta and --json DO NOT work together @@ -349,32 +296,16 @@ class PM3ArgParseTests(unittest.TestCase): parser.AddAlignment() parser.AssembleParser() with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--fasta', 'trg:target', 'data/fasta/1ake.fas', + parser.Parse(['--fasta', 'data/fasta/1ake.fas', '--json', 'foo']) self.assertEqual(ecd.exception.code, 2) self.assertEqual(len(self.log.messages['ERROR']), 2) self.assertEqual(self.log.messages['ERROR'], - ['usage: test_pm3argparse.py [-h] (-f trg:<NAME> '+ - '<FILE> | -j <OBJECT>|<FILE>)', + ['usage: test_pm3argparse.py [-h] (-f '+ + '<FILE> | -c <FILE> | -j <OBJECT>|<FILE>)', 'test_pm3argparse.py: error: argument -j/--json: '+ 'not allowed with argument -f/--fasta']) - def testAddAlignmentJsonMulti(self): - # passing --json multiple times is not allowed - # also serves as a unit test for PM3StoreOnceAction - parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) - parser.AddAlignment() - parser.AssembleParser() - with self.assertRaises(SystemExit) as ecd: - parser.Parse(['--json', 'foo', '--json', 'bar']) - self.assertEqual(ecd.exception.code, 2) - self.assertEqual(len(self.log.messages['ERROR']), 2) - self.assertEqual(self.log.messages['ERROR'], - ['usage: test_pm3argparse.py [-h] (-f trg:<NAME> '+ - '<FILE> | -j <OBJECT>|<FILE>)', - 'test_pm3argparse.py: error: argument -j/--json: '+ - 'may only be used once.']) - def testAddAlignmentJsonNoArg(self): # make sure --json always needs an argument parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) @@ -385,8 +316,8 @@ class PM3ArgParseTests(unittest.TestCase): self.assertEqual(ecd.exception.code, 2) self.assertEqual(len(self.log.messages['ERROR']), 2) self.assertEqual(self.log.messages['ERROR'], - ['usage: test_pm3argparse.py [-h] (-f trg:<NAME> '+ - '<FILE> | -j <OBJECT>|<FILE>)', + ['usage: test_pm3argparse.py [-h] (-f '+ + '<FILE> | -c <FILE> | -j <OBJECT>|<FILE>)', 'test_pm3argparse.py: error: argument -j/--json: '+ 'expected one argument']) @@ -397,11 +328,11 @@ class PM3ArgParseTests(unittest.TestCase): parser.AssembleParser() with self.assertRaises(SystemExit) as ecd: parser.Parse(['--json', 'fileshouldnotexist']) - self.assertEqual(ecd.exception.code, 19) + self.assertEqual(ecd.exception.code, 12) self.assertEqual(len(self.log.messages['ERROR']), 1) self.assertEqual(self.log.messages['ERROR'], - ["'--json' file 'fileshouldnotexist' can not be "+ - "processed: No such file or directory"]) + ["JSON Alignment file does not exist: " + + "fileshouldnotexist"]) def testAddAlignmentJsonGzipNoExist(self): # lets see what happens on json with a missing gzip file @@ -410,11 +341,11 @@ class PM3ArgParseTests(unittest.TestCase): parser.AssembleParser() with self.assertRaises(SystemExit) as ecd: parser.Parse(['--json', 'fileshouldnotexist.gzip']) - self.assertEqual(ecd.exception.code, 19) + self.assertEqual(ecd.exception.code, 12) self.assertEqual(len(self.log.messages['ERROR']), 1) self.assertEqual(self.log.messages['ERROR'], - ["'--json' file 'fileshouldnotexist.gzip' can not be "+ - "processed: No such file or directory"]) + ["JSON Alignment file does not exist: " + + "fileshouldnotexist.gzip"]) def testAddAlignmentJsonEmptyFile(self): # we want to fail on empty JSON files @@ -887,7 +818,292 @@ class PM3ArgParseTests(unittest.TestCase): 'E AFSDGLAHLDNLKGTFATLSELHC-DKLHVDPENFRLLGNVLVCVLAH'+ 'HFGKEFTPPVQAAYQKVVAGVA\n\nTARGET TVLTSKYR\nTEMPL'+ 'ATE NALAHKYH\n') - self.assertEqual(opts.fasta, None) + + def testAddAlignmentJsonMulti(self): + # passing --json multiple times is not allowed + # also serves as a unit test for PM3StoreOnceAction + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AssembleParser() + json_obj = _GetJsonTestObj() + tmp_json = tempfile.NamedTemporaryFile(suffix='.json') + json.dump(json_obj, tmp_json) + tmp_json.flush() + json_str = json.dumps(json_obj) + opts = parser.Parse(['--json', tmp_json.name, + '--json', json_str]) + self.assertEqual(len(opts.aln_sources), 2) + self.assertEqual(opts.aln_sources[0], tmp_json.name) + self.assertEqual(opts.aln_sources[1], json_str) + self.assertEqual(len(opts.alignments), 2) + self.assertEqual(str(opts.alignments[0]), + 'TARGET VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKT'+ + 'YFPHF-DLS-----HGSAQVKGHGKKVAD\nTEMPLATE HLTPEEKSAV'+ + 'TALWGKVN--VDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKV'+ + 'KAHGKKVLG\n\nTARGET ALTNAVAHVDDMPNALSALSDLHAHK-L'+ + 'RVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVS\nTEMPLAT'+ + 'E AFSDGLAHLDNLKGTFATLSELHC-DKLHVDPENFRLLGNVLVCVLAH'+ + 'HFGKEFTPPVQAAYQKVVAGVA\n\nTARGET TVLTSKYR\nTEMPL'+ + 'ATE NALAHKYH\n') + self.assertEqual(str(opts.alignments[0]), str(opts.alignments[1])) + + def testAddAlignmentClustal(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AssembleParser() + opts = parser.Parse(['--clustal', 'data/aln_tpl/2jlp-1.aln', + '-c', 'data/aln_tpl/2jlp-1.aln']) + self.assertEqual(str(opts.alignments[0]), + 'TARGET MVVKAVCVINGDAKGTVFFEQESSGTPVKVSGEVCGLAKGLHG'+ + 'FHVHEFGDNTNGCMSSGPHFNPYGKEHGA\nA|55 ------------'+ + '-----------------------------RAIHVHQFGDLSQGCESTGPHY'+ + 'NPLAVPH--\n\nTARGET PVDENRHLGDLGNIEATGDCPTKVNITDSK'+ + 'ITLFGADSIIGRTVVVHADADDLGQGGHELSKSTGNAGARIG\nA|55 '+ + ' ----PQHPGDFGNF-AVRDGSLWRYRAGLAASLAGPHSIVGRAVVVHAGE'+ + 'DDLGRGGNQASVENGNAGRRLA\n\nTARGET CGVIGIAKV\nA|55 '+ + ' CCVVGV---\n') + self.assertEqual(str(opts.alignments[0]), str(opts.alignments[1])) + + def testStructuresPDB(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddStructure() + parser.AssembleParser() + opts = parser.Parse(['--pdb', 'data/aln_tpl/1crn_cut.pdb', + '-p', 'data/aln_tpl/2aoh-1_cut.pdb']) + self.assertEqual(len(opts.structure_sources), 2) + self.assertEqual(opts.structure_sources[0], 'data/aln_tpl/1crn_cut.pdb') + self.assertEqual(opts.structure_sources[1], 'data/aln_tpl/2aoh-1_cut.pdb') + self.assertEqual(len(opts.structures), len(opts.structure_sources)) + self.assertEqual(opts.structures[0].chain_count, 1) + self.assertEqual(opts.structures[0].residue_count, 40) + self.assertEqual(opts.structures[1].chain_count, 2) + self.assertEqual(opts.structures[1].residue_count, 186) + + def testStructuresEntity(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddStructure() + parser.AssembleParser() + opts = parser.Parse(['--entity', 'data/aln_tpl/2jlp-1.pdb', + '-e', 'data/aln_tpl/5d52-1_cut.pdb']) + self.assertEqual(len(opts.structure_sources), 2) + self.assertEqual(opts.structure_sources[0], 'data/aln_tpl/2jlp-1.pdb') + self.assertEqual(opts.structure_sources[1], 'data/aln_tpl/5d52-1_cut.pdb') + self.assertEqual(len(opts.structures), len(opts.structure_sources)) + self.assertEqual(opts.structures[0].chain_count, 6) + self.assertEqual(opts.structures[0].residue_count, 1569) + self.assertEqual(opts.structures[1].chain_count, 2) + self.assertEqual(opts.structures[1].residue_count, 39) + + def testStructuresNoFile(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddStructure() + parser.AssembleParser() + with self.assertRaises(SystemExit) as ecd: + parser.Parse(['--pdb', 'data/missingfile.pdb']) + self.assertEqual(ecd.exception.code, 32) + self.assertEqual(len(self.log.messages['ERROR']), 1) + self.assertEqual(self.log.messages['ERROR'], + ['PDB Structure file does not exist: data/missingfile.pdb']) + + def testStructuresFailToRead(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddStructure() + parser.AssembleParser() + with self.assertRaises(SystemExit) as ecd: + parser.Parse(['--pdb', 'data/aln_tpl/2jlp-1.aln']) + self.assertEqual(ecd.exception.code, 33) + self.assertEqual(len(self.log.messages['ERROR']), 1) + exp_str = "'--pdb data/aln_tpl/2jlp-1.aln': failure to parse PDB file" + self.assertTrue(self.log.messages['ERROR'][0].startswith(exp_str)) + + def testStructuresNoFormat(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddStructure() + parser.AssembleParser() + with self.assertRaises(SystemExit) as ecd: + parser.Parse(['--entity', 'data/aln_tpl/2jlp-1.aln']) + self.assertEqual(ecd.exception.code, 34) + self.assertEqual(len(self.log.messages['ERROR']), 1) + exp_str = "'--entity data/aln_tpl/2jlp-1.aln': not a supported format" + self.assertTrue(self.log.messages['ERROR'][0].startswith(exp_str)) + + def testGetChains(self): + # test internal _GetChains function as it's important + tpl_single_chain = ost.io.LoadPDB('data/aln_tpl/1crn_cut.pdb') + tpl_many_chains = ost.io.LoadPDB('data/aln_tpl/2jlp-1.pdb') + chain_entities = pm3argparse._GetChains([tpl_single_chain], ['a/b.pdb']) + # single + exp_keys = ['UNIQUE'] + self.assertEqual(sorted(chain_entities.keys()), exp_keys) + chain_entities = pm3argparse._GetChains([tpl_many_chains], ['a/2.pdb']) + exp_keys = ['2.A', '2.B', '2.C', '2.D', 'A', 'B', 'C', 'D'] + self.assertEqual(sorted(chain_entities.keys()), exp_keys) + chain_entities = pm3argparse._GetChains([tpl_many_chains], ['2.pdb.gz']) + exp_keys = ['2.A', '2.B', '2.C', '2.D', 'A', 'B', 'C', 'D'] + self.assertEqual(sorted(chain_entities.keys()), exp_keys) + # combine + structures = [tpl_single_chain, tpl_many_chains, tpl_single_chain] + sources = ['a/1.pdb', 'd/2.pdb', '3.pdb.gz'] + chain_entities = pm3argparse._GetChains(structures, sources) + exp_keys = ['1', '1.A', '2.A', '2.B', '2.C', '2.D', '3', '3.A'] + self.assertEqual(sorted(chain_entities.keys()), exp_keys) + + def checkView(self, alns): + # helper: checks if all alignments have attached views for templates + for aln in alns: + self.assertTrue(aln.GetSequence(1).HasAttachedView()) + for col in aln: + res = col.GetResidue(1) + all_good = (res.IsValid() and res.one_letter_code == col[1])\ + or (not res.IsValid() and '-' == col[1]) + mymsg = "mismatch col. " + str(col) + " with res. " + str(res) + self.assertTrue(all_good, msg=mymsg) + + def testAttachView(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AddStructure(attach_views=True) + parser.AssembleParser() + opts = parser.Parse(['-f', 'data/aln_tpl/1crn.fasta', + '-e', 'data/aln_tpl/1crn_cut.pdb']) + self.assertEqual(len(opts.alignments), 1) + self.checkView(opts.alignments) + + def testAttachViewHomo(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AddStructure(attach_views=True) + parser.AssembleParser() + opts = parser.Parse(['-f', 'data/aln_tpl/2aoh-1_cut_A.fasta', + '-p', 'data/aln_tpl/2aoh-1_cut.pdb', + '-f', 'data/aln_tpl/2aoh-1_cut_B.fasta']) + self.assertEqual(len(opts.alignments), 2) + self.checkView(opts.alignments) + + def testAttachViewOffset(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AddStructure(attach_views=True) + parser.AssembleParser() + opts = parser.Parse(['-p', 'data/aln_tpl/2jlp-1.pdb', + '-f', 'data/aln_tpl/2jlp-1.fasta']) + self.assertEqual(len(opts.alignments), 1) + self.checkView(opts.alignments) + + def testAttachViewOffsetClustal(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AddStructure(attach_views=True) + parser.AssembleParser() + opts = parser.Parse(['-p', 'data/aln_tpl/2jlp-1.pdb', + '-c', 'data/aln_tpl/2jlp-1.aln']) + self.assertEqual(len(opts.alignments), 1) + self.checkView(opts.alignments) + + def testAttachViewOffsetJSON(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AddStructure(attach_views=True) + parser.AssembleParser() + opts = parser.Parse(['-p', 'data/aln_tpl/2jlp-1.pdb', + '-j', 'data/aln_tpl/2jlp-1.json']) + self.assertEqual(len(opts.alignments), 1) + self.checkView(opts.alignments) + + def testAttachViewHetero(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AddStructure(attach_views=True) + parser.AssembleParser() + opts = parser.Parse(['-p', 'data/aln_tpl/5d52-1_cut.pdb', + '-f', 'data/aln_tpl/5d52-1_cut_A.fasta', + '-f', 'data/aln_tpl/5d52-1_cut_B.fasta']) + self.assertEqual(len(opts.alignments), 2) + self.checkView(opts.alignments) + + def testAttachViewNoAln(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddStructure(attach_views=True) + parser.AssembleParser() + with self.assertRaises(SystemExit) as ecd: + parser.Parse(['-p', 'data/aln_tpl/1crn_cut.pdb']) + self.assertEqual(ecd.exception.code, 41) + self.assertEqual(len(self.log.messages['ERROR']), 1) + exp_str = "Need to have structures and alignments to attach views." + self.assertEqual(self.log.messages['ERROR'], [exp_str]) + + def testAttachViewBadOffsets(self): + # this may happen with JSON input by doubly defining offsets + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AddStructure(attach_views=True) + parser.AssembleParser() + # mess up JSON input + with open('data/aln_tpl/2jlp-1.json') as jfh: + json_obj = json.load(jfh) + json_obj['alignmentlist'][0]['template']['name'] = 'A|54' + json_str = json.dumps(json_obj) + with self.assertRaises(SystemExit) as ecd: + parser.Parse(['-p', 'data/aln_tpl/2jlp-1.pdb', + '-j', json_str]) + self.assertEqual(ecd.exception.code, 42) + self.assertEqual(len(self.log.messages['ERROR']), 1) + self.assertEqual(self.log.messages['ERROR'], + ['Inconsistent offsets between seq. name and seq. '+ + 'in alignment for A|54']) + + def testAttachViewNonIntegerOffset(self): + # this may happen with JSON input by doubly defining offsets + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AddStructure(attach_views=True) + parser.AssembleParser() + # mess up JSON input + with open('data/aln_tpl/2jlp-1.json') as jfh: + json_obj = json.load(jfh) + json_obj['alignmentlist'][0]['template']['name'] = 'A|5a5' + json_str = json.dumps(json_obj) + with self.assertRaises(SystemExit) as ecd: + parser.Parse(['-p', 'data/aln_tpl/2jlp-1.pdb', + '-j', json_str]) + self.assertEqual(ecd.exception.code, 43) + self.assertEqual(len(self.log.messages['ERROR']), 1) + self.assertEqual(self.log.messages['ERROR'], + ['Non-integer offset defined in seq. name A|5a5']) + + def testAttachViewTooManyBars(self): + # this may happen with JSON input by doubly defining offsets + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AddStructure(attach_views=True) + parser.AssembleParser() + # mess up JSON input + with open('data/aln_tpl/2jlp-1.json') as jfh: + json_obj = json.load(jfh) + json_obj['alignmentlist'][0]['template']['name'] = 'A|B|55' + json_str = json.dumps(json_obj) + with self.assertRaises(SystemExit) as ecd: + parser.Parse(['-p', 'data/aln_tpl/2jlp-1.pdb', + '-j', json_str]) + self.assertEqual(ecd.exception.code, 44) + self.assertEqual(len(self.log.messages['ERROR']), 1) + self.assertEqual(self.log.messages['ERROR'], + ["Too many '|' in seq. name A|B|55"]) + + def testAttachViewUnknownChain(self): + parser = pm3argparse.PM3ArgumentParser(__doc__, action=False) + parser.AddAlignment() + parser.AddStructure(attach_views=True) + parser.AssembleParser() + with self.assertRaises(SystemExit) as ecd: + parser.Parse(['-f', 'data/aln_tpl/1crn.fasta', + '-p', 'data/aln_tpl/1crn_cut.pdb', + '-p', 'data/aln_tpl/2jlp-1.pdb']) + self.assertEqual(ecd.exception.code, 45) + self.assertEqual(len(self.log.messages['ERROR']), 1) + self.assertEqual(self.log.messages['ERROR'], + ['Could not find chain with ID tpl (should be '+ + '<FILE>.<CHAIN>) to attach to sequence named tpl']) # test options: --disable-aln check (for amino acids) # test options: --disable-input-checks (for all) diff --git a/modelling/tests/data/2jlp-1.fasta b/modelling/tests/data/2jlp-1.fasta index 8a681b0f..5d845e51 100644 --- a/modelling/tests/data/2jlp-1.fasta +++ b/modelling/tests/data/2jlp-1.fasta @@ -2,7 +2,7 @@ MVVKAVCVINGDAKGTVFFEQESSGTPVKVSGEVCGLAKGLHGFHVHEFGDNTNGCMSSGPHFNPYGKEHGA PVDENRHLGDLGNIEATGDCPTKVNITDSKITLFGADSIIGRTVVVHADADDLGQGGHELSKSTGNAGARIG CGVIGIAKV ->2jlp-1|A|93 +>2jlp-1.A|55 -----------------------------------------RAIHVHQFGDLSQGCESTGPHYNPLAVPH-- ----PQHPGDFGNF-AVRDGSLWRYRAGLAASLAGPHSIVGRAVVVHAGEDDLGRGGNQASVENGNAGRRLA CCVVGV--- \ No newline at end of file diff --git a/modelling/tests/test_modelling.py b/modelling/tests/test_modelling.py index 6c771d71..56b5588d 100644 --- a/modelling/tests/test_modelling.py +++ b/modelling/tests/test_modelling.py @@ -121,18 +121,6 @@ class ModellingTests(unittest.TestCase): mhandle = modelling.BuildRawModel(aln) self.assertEqual(len(mhandle.gaps), 4) - def testOffsetFromFasta(self): - # test if we can construct a raw model with custom info encoded in fasta - tpl = io.LoadPDB('data/2jlp-1.pdb') - aln = io.LoadAlignment('data/2jlp-1.fasta') - info = aln.GetSequence(1).name.split('|') - cname = info[1] - res_start = info[2] - query = "cname=" + cname + " and rnum>=" + res_start - aln.AttachView(1, tpl.Select(query).CreateFullView()) - mhandle = modelling.BuildRawModel(aln) - self.assertEqual(len(mhandle.gaps), 4) - ####################################################################### def testMergeGaps(self): -- GitLab