data_7HNM
# 
_entry.id   7HNM 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   7HNM         pdb_00007hnm 10.2210/pdb7hnm/pdb 
WWPDB D_1001407700 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-27 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.entry_id                        7HNM 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                                   21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn '[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone' 227.283   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                                         62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                                          96.063    1   ?        ? ? ? 
5 water       nat water                                                                  18.015    140 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone' A1BFX 
3 1,2-ETHANEDIOL                                                         EDO   
4 'SULFATE ION'                                                          SO4   
5 water                                                                  HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1BFX non-polymer         . '[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone' ?                 
'C9 H13 N3 O2 S' 227.283 
ALA   'L-peptide linking' y ALANINE                                                                ?                 'C3 H7 N O2' 
89.093  
ARG   'L-peptide linking' y ARGININE                                                               ?                 
'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                                                             ?                 'C4 H8 N2 O3' 
132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                                        ?                 'C4 H7 N O4' 
133.103 
CYS   'L-peptide linking' y CYSTEINE                                                               ?                 
'C3 H7 N O2 S'   121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL                                                         'ETHYLENE GLYCOL' 'C2 H6 O2' 
62.068  
GLN   'L-peptide linking' y GLUTAMINE                                                              ?                 
'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                                        ?                 'C5 H9 N O4' 
147.129 
GLY   'peptide linking'   y GLYCINE                                                                ?                 'C2 H5 N O2' 
75.067  
HIS   'L-peptide linking' y HISTIDINE                                                              ?                 
'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                                                  ?                 'H2 O' 18.015 
ILE   'L-peptide linking' y ISOLEUCINE                                                             ?                 'C6 H13 N O2' 
131.173 
LEU   'L-peptide linking' y LEUCINE                                                                ?                 'C6 H13 N O2' 
131.173 
LYS   'L-peptide linking' y LYSINE                                                                 ?                 
'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                                             ?                 
'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                                          ?                 'C9 H11 N O2' 
165.189 
PRO   'L-peptide linking' y PROLINE                                                                ?                 'C5 H9 N O2' 
115.130 
SER   'L-peptide linking' y SERINE                                                                 ?                 'C3 H7 N O3' 
105.093 
SO4   non-polymer         . 'SULFATE ION'                                                          ?                 'O4 S -2' 
96.063  
THR   'L-peptide linking' y THREONINE                                                              ?                 'C4 H9 N O3' 
119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                                             ?                 
'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                                                               ?                 'C9 H11 N O3' 
181.189 
VAL   'L-peptide linking' y VALINE                                                                 ?                 'C5 H11 N O2' 
117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BFX 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFX 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 A1BFX 1   401 401 A1BFX LIG B . 
C 3 EDO   1   402 305 EDO   EDO B . 
D 4 SO4   1   403 1   SO4   SO4 B . 
E 5 HOH   1   501 85  HOH   HOH B . 
E 5 HOH   2   502 11  HOH   HOH B . 
E 5 HOH   3   503 12  HOH   HOH B . 
E 5 HOH   4   504 1   HOH   HOH B . 
E 5 HOH   5   505 29  HOH   HOH B . 
E 5 HOH   6   506 116 HOH   HOH B . 
E 5 HOH   7   507 4   HOH   HOH B . 
E 5 HOH   8   508 21  HOH   HOH B . 
E 5 HOH   9   509 33  HOH   HOH B . 
E 5 HOH   10  510 16  HOH   HOH B . 
E 5 HOH   11  511 40  HOH   HOH B . 
E 5 HOH   12  512 80  HOH   HOH B . 
E 5 HOH   13  513 72  HOH   HOH B . 
E 5 HOH   14  514 27  HOH   HOH B . 
E 5 HOH   15  515 99  HOH   HOH B . 
E 5 HOH   16  516 95  HOH   HOH B . 
E 5 HOH   17  517 281 HOH   HOH B . 
E 5 HOH   18  518 10  HOH   HOH B . 
E 5 HOH   19  519 90  HOH   HOH B . 
E 5 HOH   20  520 34  HOH   HOH B . 
E 5 HOH   21  521 2   HOH   HOH B . 
E 5 HOH   22  522 70  HOH   HOH B . 
E 5 HOH   23  523 102 HOH   HOH B . 
E 5 HOH   24  524 36  HOH   HOH B . 
E 5 HOH   25  525 129 HOH   HOH B . 
E 5 HOH   26  526 39  HOH   HOH B . 
E 5 HOH   27  527 63  HOH   HOH B . 
E 5 HOH   28  528 89  HOH   HOH B . 
E 5 HOH   29  529 19  HOH   HOH B . 
E 5 HOH   30  530 62  HOH   HOH B . 
E 5 HOH   31  531 51  HOH   HOH B . 
E 5 HOH   32  532 25  HOH   HOH B . 
E 5 HOH   33  533 55  HOH   HOH B . 
E 5 HOH   34  534 100 HOH   HOH B . 
E 5 HOH   35  535 11  HOH   HOH B . 
E 5 HOH   36  536 58  HOH   HOH B . 
E 5 HOH   37  537 16  HOH   HOH B . 
E 5 HOH   38  538 18  HOH   HOH B . 
E 5 HOH   39  539 68  HOH   HOH B . 
E 5 HOH   40  540 20  HOH   HOH B . 
E 5 HOH   41  541 66  HOH   HOH B . 
E 5 HOH   42  542 81  HOH   HOH B . 
E 5 HOH   43  543 2   HOH   HOH B . 
E 5 HOH   44  544 211 HOH   HOH B . 
E 5 HOH   45  545 26  HOH   HOH B . 
E 5 HOH   46  546 31  HOH   HOH B . 
E 5 HOH   47  547 43  HOH   HOH B . 
E 5 HOH   48  548 10  HOH   HOH B . 
E 5 HOH   49  549 93  HOH   HOH B . 
E 5 HOH   50  550 267 HOH   HOH B . 
E 5 HOH   51  551 126 HOH   HOH B . 
E 5 HOH   52  552 76  HOH   HOH B . 
E 5 HOH   53  553 47  HOH   HOH B . 
E 5 HOH   54  554 29  HOH   HOH B . 
E 5 HOH   55  555 4   HOH   HOH B . 
E 5 HOH   56  556 50  HOH   HOH B . 
E 5 HOH   57  557 7   HOH   HOH B . 
E 5 HOH   58  558 156 HOH   HOH B . 
E 5 HOH   59  559 15  HOH   HOH B . 
E 5 HOH   60  560 59  HOH   HOH B . 
E 5 HOH   61  561 3   HOH   HOH B . 
E 5 HOH   62  562 86  HOH   HOH B . 
E 5 HOH   63  563 27  HOH   HOH B . 
E 5 HOH   64  564 71  HOH   HOH B . 
E 5 HOH   65  565 22  HOH   HOH B . 
E 5 HOH   66  566 61  HOH   HOH B . 
E 5 HOH   67  567 13  HOH   HOH B . 
E 5 HOH   68  568 172 HOH   HOH B . 
E 5 HOH   69  569 112 HOH   HOH B . 
E 5 HOH   70  570 9   HOH   HOH B . 
E 5 HOH   71  571 157 HOH   HOH B . 
E 5 HOH   72  572 1   HOH   HOH B . 
E 5 HOH   73  573 263 HOH   HOH B . 
E 5 HOH   74  574 64  HOH   HOH B . 
E 5 HOH   75  575 304 HOH   HOH B . 
E 5 HOH   76  576 6   HOH   HOH B . 
E 5 HOH   77  577 32  HOH   HOH B . 
E 5 HOH   78  578 3   HOH   HOH B . 
E 5 HOH   79  579 14  HOH   HOH B . 
E 5 HOH   80  580 32  HOH   HOH B . 
E 5 HOH   81  581 8   HOH   HOH B . 
E 5 HOH   82  582 303 HOH   HOH B . 
E 5 HOH   83  583 24  HOH   HOH B . 
E 5 HOH   84  584 8   HOH   HOH B . 
E 5 HOH   85  585 12  HOH   HOH B . 
E 5 HOH   86  586 60  HOH   HOH B . 
E 5 HOH   87  587 33  HOH   HOH B . 
E 5 HOH   88  588 137 HOH   HOH B . 
E 5 HOH   89  589 73  HOH   HOH B . 
E 5 HOH   90  590 25  HOH   HOH B . 
E 5 HOH   91  591 48  HOH   HOH B . 
E 5 HOH   92  592 42  HOH   HOH B . 
E 5 HOH   93  593 23  HOH   HOH B . 
E 5 HOH   94  594 97  HOH   HOH B . 
E 5 HOH   95  595 20  HOH   HOH B . 
E 5 HOH   96  596 114 HOH   HOH B . 
E 5 HOH   97  597 7   HOH   HOH B . 
E 5 HOH   98  598 49  HOH   HOH B . 
E 5 HOH   99  599 17  HOH   HOH B . 
E 5 HOH   100 600 56  HOH   HOH B . 
E 5 HOH   101 601 45  HOH   HOH B . 
E 5 HOH   102 602 18  HOH   HOH B . 
E 5 HOH   103 603 38  HOH   HOH B . 
E 5 HOH   104 604 53  HOH   HOH B . 
E 5 HOH   105 605 125 HOH   HOH B . 
E 5 HOH   106 606 54  HOH   HOH B . 
E 5 HOH   107 607 15  HOH   HOH B . 
E 5 HOH   108 608 120 HOH   HOH B . 
E 5 HOH   109 609 257 HOH   HOH B . 
E 5 HOH   110 610 30  HOH   HOH B . 
E 5 HOH   111 611 57  HOH   HOH B . 
E 5 HOH   112 612 264 HOH   HOH B . 
E 5 HOH   113 613 69  HOH   HOH B . 
E 5 HOH   114 614 41  HOH   HOH B . 
E 5 HOH   115 615 5   HOH   HOH B . 
E 5 HOH   116 616 22  HOH   HOH B . 
E 5 HOH   117 617 82  HOH   HOH B . 
E 5 HOH   118 618 140 HOH   HOH B . 
E 5 HOH   119 619 197 HOH   HOH B . 
E 5 HOH   120 620 19  HOH   HOH B . 
E 5 HOH   121 621 44  HOH   HOH B . 
E 5 HOH   122 622 103 HOH   HOH B . 
E 5 HOH   123 623 154 HOH   HOH B . 
E 5 HOH   124 624 133 HOH   HOH B . 
E 5 HOH   125 625 30  HOH   HOH B . 
E 5 HOH   126 626 266 HOH   HOH B . 
E 5 HOH   127 627 115 HOH   HOH B . 
E 5 HOH   128 628 21  HOH   HOH B . 
E 5 HOH   129 629 107 HOH   HOH B . 
E 5 HOH   130 630 23  HOH   HOH B . 
E 5 HOH   131 631 13  HOH   HOH B . 
E 5 HOH   132 632 104 HOH   HOH B . 
E 5 HOH   133 633 98  HOH   HOH B . 
E 5 HOH   134 634 166 HOH   HOH B . 
E 5 HOH   135 635 205 HOH   HOH B . 
E 5 HOH   136 636 127 HOH   HOH B . 
E 5 HOH   137 637 14  HOH   HOH B . 
E 5 HOH   138 638 270 HOH   HOH B . 
E 5 HOH   139 639 131 HOH   HOH B . 
E 5 HOH   140 640 259 HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.15   02/11/23        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HNM 
_cell.length_a           95.475 
_cell.length_b           95.475 
_cell.length_c           45.762 
_cell.angle_alpha        90.000 
_cell.angle_beta         90.000 
_cell.angle_gamma        90.000 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         7HNM 
_symmetry.Int_Tables_number                79 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HNM 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.070 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.06 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNM 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             47.740 
_reflns.d_resolution_high            1.490 
_reflns.number_obs                   33608 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.156 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        11.300 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              13.300 
_reflns.pdbx_Rrim_I_all              0.162 
_reflns.pdbx_Rpim_I_all              0.044 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     447119 
_reflns.pdbx_scaling_rejects         151 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.490 1.570  ? 52646 4888 ? 3.574 ? ? ? 10.800 ? 0.800  ? ? ? ? ? ? 100.000 3.750 1.119 0.337 
1 2 4.720 47.740 ? 14367 1117 ? 0.042 ? ? ? 12.900 ? 45.800 ? ? ? ? ? ? 99.700  0.044 0.012 0.999 
# 
_refine.entry_id                                 7HNM 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.4900 
_refine.ls_d_res_low                             47.7800 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    98.8800 
_refine.ls_number_reflns_obs                     31628 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.ls_matrix_type                           ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.details                                  
'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES      : REFINED INDIVIDUALLY' 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1823 
_refine.ls_R_factor_R_work                       0.1810 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2087 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  1612 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               20.3710 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2000 
_refine.aniso_B[2][2]                            0.2000 
_refine.aniso_B[3][3]                            -0.4100 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9670 
_refine.correlation_coeff_Fo_to_Fc_free          0.9560 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0780 
_refine.pdbx_overall_ESU_R_Free                  0.0780 
_refine.overall_SU_ML                            0.0630 
_refine.overall_SU_B                             1.8250 
_refine.solvent_model_details                    MASK 
_refine.pdbx_solvent_vdw_probe_radii             1.2000 
_refine.pdbx_solvent_ion_probe_radii             0.8000 
_refine.pdbx_solvent_shrinkage_radii             0.8000 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.B_iso_max                                85.030 
_refine.B_iso_min                                12.280 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.4900 
_refine_hist.d_res_low                        47.7800 
_refine_hist.pdbx_number_atoms_ligand         24 
_refine_hist.number_atoms_solvent             140 
_refine_hist.number_atoms_total               1657 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           38.99 
_refine_hist.pdbx_B_iso_mean_solvent          30.80 
_refine_hist.pdbx_number_atoms_protein        1493 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' r_bond_refined_d       2003 0.010  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1611 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2512 1.633  1.644  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3720 1.416  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.031  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 111  27.191 20.811 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.717 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   19.494 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         221  0.078  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2230 0.009  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     488  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            952  1.539  1.890  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.489  1.862  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.373  2.794  ? ? 
# 
_refine_ls_shell.d_res_high                       1.4930 
_refine_ls_shell.d_res_low                        1.5320 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               86.9700 
_refine_ls_shell.number_reflns_R_work             2027 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3400 
_refine_ls_shell.R_factor_R_free                  0.3600 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             109 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2136 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNM 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z768399682' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNM 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HNM 
_struct_ref_seq.pdbx_strand_id                B 
_struct_ref_seq.seq_align_beg                 9 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 188 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q62191 
_struct_ref_seq.db_align_beg                  291 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  470 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       15 
_struct_ref_seq.pdbx_auth_seq_align_end       194 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 7HNM MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNM HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNM HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNM HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNM HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNM HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNM HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNM MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -2.86 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HNM 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.98   34.17 
2 1 ASP B 152 ? ? -104.14 54.62 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     596 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1BFX N1   N N N 1   
A1BFX N3   N Y N 2   
A1BFX C4   C N R 3   
A1BFX C5   C N N 4   
A1BFX C6   C N N 5   
A1BFX C7   C N N 6   
A1BFX C8   C Y N 7   
A1BFX C1   C N N 8   
A1BFX C2   C N R 9   
A1BFX C3   C N N 10  
A1BFX C9   C Y N 11  
A1BFX N2   N Y N 12  
A1BFX O1   O N N 13  
A1BFX O2   O N N 14  
A1BFX S1   S Y N 15  
A1BFX H7   H N N 16  
A1BFX H8   H N N 17  
A1BFX H10  H N N 18  
A1BFX H9   H N N 19  
A1BFX H12  H N N 20  
A1BFX H11  H N N 21  
A1BFX H1   H N N 22  
A1BFX H2   H N N 23  
A1BFX H3   H N N 24  
A1BFX H4   H N N 25  
A1BFX H6   H N N 26  
A1BFX H5   H N N 27  
A1BFX H13  H N N 28  
ALA   N    N N N 29  
ALA   CA   C N S 30  
ALA   C    C N N 31  
ALA   O    O N N 32  
ALA   CB   C N N 33  
ALA   OXT  O N N 34  
ALA   H    H N N 35  
ALA   H2   H N N 36  
ALA   HA   H N N 37  
ALA   HB1  H N N 38  
ALA   HB2  H N N 39  
ALA   HB3  H N N 40  
ALA   HXT  H N N 41  
ARG   N    N N N 42  
ARG   CA   C N S 43  
ARG   C    C N N 44  
ARG   O    O N N 45  
ARG   CB   C N N 46  
ARG   CG   C N N 47  
ARG   CD   C N N 48  
ARG   NE   N N N 49  
ARG   CZ   C N N 50  
ARG   NH1  N N N 51  
ARG   NH2  N N N 52  
ARG   OXT  O N N 53  
ARG   H    H N N 54  
ARG   H2   H N N 55  
ARG   HA   H N N 56  
ARG   HB2  H N N 57  
ARG   HB3  H N N 58  
ARG   HG2  H N N 59  
ARG   HG3  H N N 60  
ARG   HD2  H N N 61  
ARG   HD3  H N N 62  
ARG   HE   H N N 63  
ARG   HH11 H N N 64  
ARG   HH12 H N N 65  
ARG   HH21 H N N 66  
ARG   HH22 H N N 67  
ARG   HXT  H N N 68  
ASN   N    N N N 69  
ASN   CA   C N S 70  
ASN   C    C N N 71  
ASN   O    O N N 72  
ASN   CB   C N N 73  
ASN   CG   C N N 74  
ASN   OD1  O N N 75  
ASN   ND2  N N N 76  
ASN   OXT  O N N 77  
ASN   H    H N N 78  
ASN   H2   H N N 79  
ASN   HA   H N N 80  
ASN   HB2  H N N 81  
ASN   HB3  H N N 82  
ASN   HD21 H N N 83  
ASN   HD22 H N N 84  
ASN   HXT  H N N 85  
ASP   N    N N N 86  
ASP   CA   C N S 87  
ASP   C    C N N 88  
ASP   O    O N N 89  
ASP   CB   C N N 90  
ASP   CG   C N N 91  
ASP   OD1  O N N 92  
ASP   OD2  O N N 93  
ASP   OXT  O N N 94  
ASP   H    H N N 95  
ASP   H2   H N N 96  
ASP   HA   H N N 97  
ASP   HB2  H N N 98  
ASP   HB3  H N N 99  
ASP   HD2  H N N 100 
ASP   HXT  H N N 101 
CYS   N    N N N 102 
CYS   CA   C N R 103 
CYS   C    C N N 104 
CYS   O    O N N 105 
CYS   CB   C N N 106 
CYS   SG   S N N 107 
CYS   OXT  O N N 108 
CYS   H    H N N 109 
CYS   H2   H N N 110 
CYS   HA   H N N 111 
CYS   HB2  H N N 112 
CYS   HB3  H N N 113 
CYS   HG   H N N 114 
CYS   HXT  H N N 115 
EDO   C1   C N N 116 
EDO   O1   O N N 117 
EDO   C2   C N N 118 
EDO   O2   O N N 119 
EDO   H11  H N N 120 
EDO   H12  H N N 121 
EDO   HO1  H N N 122 
EDO   H21  H N N 123 
EDO   H22  H N N 124 
EDO   HO2  H N N 125 
GLN   N    N N N 126 
GLN   CA   C N S 127 
GLN   C    C N N 128 
GLN   O    O N N 129 
GLN   CB   C N N 130 
GLN   CG   C N N 131 
GLN   CD   C N N 132 
GLN   OE1  O N N 133 
GLN   NE2  N N N 134 
GLN   OXT  O N N 135 
GLN   H    H N N 136 
GLN   H2   H N N 137 
GLN   HA   H N N 138 
GLN   HB2  H N N 139 
GLN   HB3  H N N 140 
GLN   HG2  H N N 141 
GLN   HG3  H N N 142 
GLN   HE21 H N N 143 
GLN   HE22 H N N 144 
GLN   HXT  H N N 145 
GLU   N    N N N 146 
GLU   CA   C N S 147 
GLU   C    C N N 148 
GLU   O    O N N 149 
GLU   CB   C N N 150 
GLU   CG   C N N 151 
GLU   CD   C N N 152 
GLU   OE1  O N N 153 
GLU   OE2  O N N 154 
GLU   OXT  O N N 155 
GLU   H    H N N 156 
GLU   H2   H N N 157 
GLU   HA   H N N 158 
GLU   HB2  H N N 159 
GLU   HB3  H N N 160 
GLU   HG2  H N N 161 
GLU   HG3  H N N 162 
GLU   HE2  H N N 163 
GLU   HXT  H N N 164 
GLY   N    N N N 165 
GLY   CA   C N N 166 
GLY   C    C N N 167 
GLY   O    O N N 168 
GLY   OXT  O N N 169 
GLY   H    H N N 170 
GLY   H2   H N N 171 
GLY   HA2  H N N 172 
GLY   HA3  H N N 173 
GLY   HXT  H N N 174 
HIS   N    N N N 175 
HIS   CA   C N S 176 
HIS   C    C N N 177 
HIS   O    O N N 178 
HIS   CB   C N N 179 
HIS   CG   C Y N 180 
HIS   ND1  N Y N 181 
HIS   CD2  C Y N 182 
HIS   CE1  C Y N 183 
HIS   NE2  N Y N 184 
HIS   OXT  O N N 185 
HIS   H    H N N 186 
HIS   H2   H N N 187 
HIS   HA   H N N 188 
HIS   HB2  H N N 189 
HIS   HB3  H N N 190 
HIS   HD1  H N N 191 
HIS   HD2  H N N 192 
HIS   HE1  H N N 193 
HIS   HE2  H N N 194 
HIS   HXT  H N N 195 
HOH   O    O N N 196 
HOH   H1   H N N 197 
HOH   H2   H N N 198 
ILE   N    N N N 199 
ILE   CA   C N S 200 
ILE   C    C N N 201 
ILE   O    O N N 202 
ILE   CB   C N S 203 
ILE   CG1  C N N 204 
ILE   CG2  C N N 205 
ILE   CD1  C N N 206 
ILE   OXT  O N N 207 
ILE   H    H N N 208 
ILE   H2   H N N 209 
ILE   HA   H N N 210 
ILE   HB   H N N 211 
ILE   HG12 H N N 212 
ILE   HG13 H N N 213 
ILE   HG21 H N N 214 
ILE   HG22 H N N 215 
ILE   HG23 H N N 216 
ILE   HD11 H N N 217 
ILE   HD12 H N N 218 
ILE   HD13 H N N 219 
ILE   HXT  H N N 220 
LEU   N    N N N 221 
LEU   CA   C N S 222 
LEU   C    C N N 223 
LEU   O    O N N 224 
LEU   CB   C N N 225 
LEU   CG   C N N 226 
LEU   CD1  C N N 227 
LEU   CD2  C N N 228 
LEU   OXT  O N N 229 
LEU   H    H N N 230 
LEU   H2   H N N 231 
LEU   HA   H N N 232 
LEU   HB2  H N N 233 
LEU   HB3  H N N 234 
LEU   HG   H N N 235 
LEU   HD11 H N N 236 
LEU   HD12 H N N 237 
LEU   HD13 H N N 238 
LEU   HD21 H N N 239 
LEU   HD22 H N N 240 
LEU   HD23 H N N 241 
LEU   HXT  H N N 242 
LYS   N    N N N 243 
LYS   CA   C N S 244 
LYS   C    C N N 245 
LYS   O    O N N 246 
LYS   CB   C N N 247 
LYS   CG   C N N 248 
LYS   CD   C N N 249 
LYS   CE   C N N 250 
LYS   NZ   N N N 251 
LYS   OXT  O N N 252 
LYS   H    H N N 253 
LYS   H2   H N N 254 
LYS   HA   H N N 255 
LYS   HB2  H N N 256 
LYS   HB3  H N N 257 
LYS   HG2  H N N 258 
LYS   HG3  H N N 259 
LYS   HD2  H N N 260 
LYS   HD3  H N N 261 
LYS   HE2  H N N 262 
LYS   HE3  H N N 263 
LYS   HZ1  H N N 264 
LYS   HZ2  H N N 265 
LYS   HZ3  H N N 266 
LYS   HXT  H N N 267 
MET   N    N N N 268 
MET   CA   C N S 269 
MET   C    C N N 270 
MET   O    O N N 271 
MET   CB   C N N 272 
MET   CG   C N N 273 
MET   SD   S N N 274 
MET   CE   C N N 275 
MET   OXT  O N N 276 
MET   H    H N N 277 
MET   H2   H N N 278 
MET   HA   H N N 279 
MET   HB2  H N N 280 
MET   HB3  H N N 281 
MET   HG2  H N N 282 
MET   HG3  H N N 283 
MET   HE1  H N N 284 
MET   HE2  H N N 285 
MET   HE3  H N N 286 
MET   HXT  H N N 287 
PHE   N    N N N 288 
PHE   CA   C N S 289 
PHE   C    C N N 290 
PHE   O    O N N 291 
PHE   CB   C N N 292 
PHE   CG   C Y N 293 
PHE   CD1  C Y N 294 
PHE   CD2  C Y N 295 
PHE   CE1  C Y N 296 
PHE   CE2  C Y N 297 
PHE   CZ   C Y N 298 
PHE   OXT  O N N 299 
PHE   H    H N N 300 
PHE   H2   H N N 301 
PHE   HA   H N N 302 
PHE   HB2  H N N 303 
PHE   HB3  H N N 304 
PHE   HD1  H N N 305 
PHE   HD2  H N N 306 
PHE   HE1  H N N 307 
PHE   HE2  H N N 308 
PHE   HZ   H N N 309 
PHE   HXT  H N N 310 
PRO   N    N N N 311 
PRO   CA   C N S 312 
PRO   C    C N N 313 
PRO   O    O N N 314 
PRO   CB   C N N 315 
PRO   CG   C N N 316 
PRO   CD   C N N 317 
PRO   OXT  O N N 318 
PRO   H    H N N 319 
PRO   HA   H N N 320 
PRO   HB2  H N N 321 
PRO   HB3  H N N 322 
PRO   HG2  H N N 323 
PRO   HG3  H N N 324 
PRO   HD2  H N N 325 
PRO   HD3  H N N 326 
PRO   HXT  H N N 327 
SER   N    N N N 328 
SER   CA   C N S 329 
SER   C    C N N 330 
SER   O    O N N 331 
SER   CB   C N N 332 
SER   OG   O N N 333 
SER   OXT  O N N 334 
SER   H    H N N 335 
SER   H2   H N N 336 
SER   HA   H N N 337 
SER   HB2  H N N 338 
SER   HB3  H N N 339 
SER   HG   H N N 340 
SER   HXT  H N N 341 
SO4   S    S N N 342 
SO4   O1   O N N 343 
SO4   O2   O N N 344 
SO4   O3   O N N 345 
SO4   O4   O N N 346 
THR   N    N N N 347 
THR   CA   C N S 348 
THR   C    C N N 349 
THR   O    O N N 350 
THR   CB   C N R 351 
THR   OG1  O N N 352 
THR   CG2  C N N 353 
THR   OXT  O N N 354 
THR   H    H N N 355 
THR   H2   H N N 356 
THR   HA   H N N 357 
THR   HB   H N N 358 
THR   HG1  H N N 359 
THR   HG21 H N N 360 
THR   HG22 H N N 361 
THR   HG23 H N N 362 
THR   HXT  H N N 363 
TRP   N    N N N 364 
TRP   CA   C N S 365 
TRP   C    C N N 366 
TRP   O    O N N 367 
TRP   CB   C N N 368 
TRP   CG   C Y N 369 
TRP   CD1  C Y N 370 
TRP   CD2  C Y N 371 
TRP   NE1  N Y N 372 
TRP   CE2  C Y N 373 
TRP   CE3  C Y N 374 
TRP   CZ2  C Y N 375 
TRP   CZ3  C Y N 376 
TRP   CH2  C Y N 377 
TRP   OXT  O N N 378 
TRP   H    H N N 379 
TRP   H2   H N N 380 
TRP   HA   H N N 381 
TRP   HB2  H N N 382 
TRP   HB3  H N N 383 
TRP   HD1  H N N 384 
TRP   HE1  H N N 385 
TRP   HE3  H N N 386 
TRP   HZ2  H N N 387 
TRP   HZ3  H N N 388 
TRP   HH2  H N N 389 
TRP   HXT  H N N 390 
TYR   N    N N N 391 
TYR   CA   C N S 392 
TYR   C    C N N 393 
TYR   O    O N N 394 
TYR   CB   C N N 395 
TYR   CG   C Y N 396 
TYR   CD1  C Y N 397 
TYR   CD2  C Y N 398 
TYR   CE1  C Y N 399 
TYR   CE2  C Y N 400 
TYR   CZ   C Y N 401 
TYR   OH   O N N 402 
TYR   OXT  O N N 403 
TYR   H    H N N 404 
TYR   H2   H N N 405 
TYR   HA   H N N 406 
TYR   HB2  H N N 407 
TYR   HB3  H N N 408 
TYR   HD1  H N N 409 
TYR   HD2  H N N 410 
TYR   HE1  H N N 411 
TYR   HE2  H N N 412 
TYR   HH   H N N 413 
TYR   HXT  H N N 414 
VAL   N    N N N 415 
VAL   CA   C N S 416 
VAL   C    C N N 417 
VAL   O    O N N 418 
VAL   CB   C N N 419 
VAL   CG1  C N N 420 
VAL   CG2  C N N 421 
VAL   OXT  O N N 422 
VAL   H    H N N 423 
VAL   H2   H N N 424 
VAL   HA   H N N 425 
VAL   HB   H N N 426 
VAL   HG11 H N N 427 
VAL   HG12 H N N 428 
VAL   HG13 H N N 429 
VAL   HG21 H N N 430 
VAL   HG22 H N N 431 
VAL   HG23 H N N 432 
VAL   HXT  H N N 433 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1BFX C1  C2   sing N N 1   
A1BFX C2  C3   sing N N 2   
A1BFX C3  N1   sing N N 3   
A1BFX N1  C4   sing N N 4   
A1BFX C4  C5   sing N N 5   
A1BFX C4  C6   sing N N 6   
A1BFX C6  O1   sing N N 7   
A1BFX N1  C7   sing N N 8   
A1BFX C7  O2   doub N N 9   
A1BFX C7  C8   sing N N 10  
A1BFX C8  C9   sing Y N 11  
A1BFX C9  N2   doub Y N 12  
A1BFX N2  S1   sing Y N 13  
A1BFX S1  N3   sing Y N 14  
A1BFX C2  O1   sing N N 15  
A1BFX C8  N3   doub Y N 16  
A1BFX C4  H7   sing N N 17  
A1BFX C5  H8   sing N N 18  
A1BFX C5  H10  sing N N 19  
A1BFX C5  H9   sing N N 20  
A1BFX C6  H12  sing N N 21  
A1BFX C6  H11  sing N N 22  
A1BFX C1  H1   sing N N 23  
A1BFX C1  H2   sing N N 24  
A1BFX C1  H3   sing N N 25  
A1BFX C2  H4   sing N N 26  
A1BFX C3  H6   sing N N 27  
A1BFX C3  H5   sing N N 28  
A1BFX C9  H13  sing N N 29  
ALA   N   CA   sing N N 30  
ALA   N   H    sing N N 31  
ALA   N   H2   sing N N 32  
ALA   CA  C    sing N N 33  
ALA   CA  CB   sing N N 34  
ALA   CA  HA   sing N N 35  
ALA   C   O    doub N N 36  
ALA   C   OXT  sing N N 37  
ALA   CB  HB1  sing N N 38  
ALA   CB  HB2  sing N N 39  
ALA   CB  HB3  sing N N 40  
ALA   OXT HXT  sing N N 41  
ARG   N   CA   sing N N 42  
ARG   N   H    sing N N 43  
ARG   N   H2   sing N N 44  
ARG   CA  C    sing N N 45  
ARG   CA  CB   sing N N 46  
ARG   CA  HA   sing N N 47  
ARG   C   O    doub N N 48  
ARG   C   OXT  sing N N 49  
ARG   CB  CG   sing N N 50  
ARG   CB  HB2  sing N N 51  
ARG   CB  HB3  sing N N 52  
ARG   CG  CD   sing N N 53  
ARG   CG  HG2  sing N N 54  
ARG   CG  HG3  sing N N 55  
ARG   CD  NE   sing N N 56  
ARG   CD  HD2  sing N N 57  
ARG   CD  HD3  sing N N 58  
ARG   NE  CZ   sing N N 59  
ARG   NE  HE   sing N N 60  
ARG   CZ  NH1  sing N N 61  
ARG   CZ  NH2  doub N N 62  
ARG   NH1 HH11 sing N N 63  
ARG   NH1 HH12 sing N N 64  
ARG   NH2 HH21 sing N N 65  
ARG   NH2 HH22 sing N N 66  
ARG   OXT HXT  sing N N 67  
ASN   N   CA   sing N N 68  
ASN   N   H    sing N N 69  
ASN   N   H2   sing N N 70  
ASN   CA  C    sing N N 71  
ASN   CA  CB   sing N N 72  
ASN   CA  HA   sing N N 73  
ASN   C   O    doub N N 74  
ASN   C   OXT  sing N N 75  
ASN   CB  CG   sing N N 76  
ASN   CB  HB2  sing N N 77  
ASN   CB  HB3  sing N N 78  
ASN   CG  OD1  doub N N 79  
ASN   CG  ND2  sing N N 80  
ASN   ND2 HD21 sing N N 81  
ASN   ND2 HD22 sing N N 82  
ASN   OXT HXT  sing N N 83  
ASP   N   CA   sing N N 84  
ASP   N   H    sing N N 85  
ASP   N   H2   sing N N 86  
ASP   CA  C    sing N N 87  
ASP   CA  CB   sing N N 88  
ASP   CA  HA   sing N N 89  
ASP   C   O    doub N N 90  
ASP   C   OXT  sing N N 91  
ASP   CB  CG   sing N N 92  
ASP   CB  HB2  sing N N 93  
ASP   CB  HB3  sing N N 94  
ASP   CG  OD1  doub N N 95  
ASP   CG  OD2  sing N N 96  
ASP   OD2 HD2  sing N N 97  
ASP   OXT HXT  sing N N 98  
CYS   N   CA   sing N N 99  
CYS   N   H    sing N N 100 
CYS   N   H2   sing N N 101 
CYS   CA  C    sing N N 102 
CYS   CA  CB   sing N N 103 
CYS   CA  HA   sing N N 104 
CYS   C   O    doub N N 105 
CYS   C   OXT  sing N N 106 
CYS   CB  SG   sing N N 107 
CYS   CB  HB2  sing N N 108 
CYS   CB  HB3  sing N N 109 
CYS   SG  HG   sing N N 110 
CYS   OXT HXT  sing N N 111 
EDO   C1  O1   sing N N 112 
EDO   C1  C2   sing N N 113 
EDO   C1  H11  sing N N 114 
EDO   C1  H12  sing N N 115 
EDO   O1  HO1  sing N N 116 
EDO   C2  O2   sing N N 117 
EDO   C2  H21  sing N N 118 
EDO   C2  H22  sing N N 119 
EDO   O2  HO2  sing N N 120 
GLN   N   CA   sing N N 121 
GLN   N   H    sing N N 122 
GLN   N   H2   sing N N 123 
GLN   CA  C    sing N N 124 
GLN   CA  CB   sing N N 125 
GLN   CA  HA   sing N N 126 
GLN   C   O    doub N N 127 
GLN   C   OXT  sing N N 128 
GLN   CB  CG   sing N N 129 
GLN   CB  HB2  sing N N 130 
GLN   CB  HB3  sing N N 131 
GLN   CG  CD   sing N N 132 
GLN   CG  HG2  sing N N 133 
GLN   CG  HG3  sing N N 134 
GLN   CD  OE1  doub N N 135 
GLN   CD  NE2  sing N N 136 
GLN   NE2 HE21 sing N N 137 
GLN   NE2 HE22 sing N N 138 
GLN   OXT HXT  sing N N 139 
GLU   N   CA   sing N N 140 
GLU   N   H    sing N N 141 
GLU   N   H2   sing N N 142 
GLU   CA  C    sing N N 143 
GLU   CA  CB   sing N N 144 
GLU   CA  HA   sing N N 145 
GLU   C   O    doub N N 146 
GLU   C   OXT  sing N N 147 
GLU   CB  CG   sing N N 148 
GLU   CB  HB2  sing N N 149 
GLU   CB  HB3  sing N N 150 
GLU   CG  CD   sing N N 151 
GLU   CG  HG2  sing N N 152 
GLU   CG  HG3  sing N N 153 
GLU   CD  OE1  doub N N 154 
GLU   CD  OE2  sing N N 155 
GLU   OE2 HE2  sing N N 156 
GLU   OXT HXT  sing N N 157 
GLY   N   CA   sing N N 158 
GLY   N   H    sing N N 159 
GLY   N   H2   sing N N 160 
GLY   CA  C    sing N N 161 
GLY   CA  HA2  sing N N 162 
GLY   CA  HA3  sing N N 163 
GLY   C   O    doub N N 164 
GLY   C   OXT  sing N N 165 
GLY   OXT HXT  sing N N 166 
HIS   N   CA   sing N N 167 
HIS   N   H    sing N N 168 
HIS   N   H2   sing N N 169 
HIS   CA  C    sing N N 170 
HIS   CA  CB   sing N N 171 
HIS   CA  HA   sing N N 172 
HIS   C   O    doub N N 173 
HIS   C   OXT  sing N N 174 
HIS   CB  CG   sing N N 175 
HIS   CB  HB2  sing N N 176 
HIS   CB  HB3  sing N N 177 
HIS   CG  ND1  sing Y N 178 
HIS   CG  CD2  doub Y N 179 
HIS   ND1 CE1  doub Y N 180 
HIS   ND1 HD1  sing N N 181 
HIS   CD2 NE2  sing Y N 182 
HIS   CD2 HD2  sing N N 183 
HIS   CE1 NE2  sing Y N 184 
HIS   CE1 HE1  sing N N 185 
HIS   NE2 HE2  sing N N 186 
HIS   OXT HXT  sing N N 187 
HOH   O   H1   sing N N 188 
HOH   O   H2   sing N N 189 
ILE   N   CA   sing N N 190 
ILE   N   H    sing N N 191 
ILE   N   H2   sing N N 192 
ILE   CA  C    sing N N 193 
ILE   CA  CB   sing N N 194 
ILE   CA  HA   sing N N 195 
ILE   C   O    doub N N 196 
ILE   C   OXT  sing N N 197 
ILE   CB  CG1  sing N N 198 
ILE   CB  CG2  sing N N 199 
ILE   CB  HB   sing N N 200 
ILE   CG1 CD1  sing N N 201 
ILE   CG1 HG12 sing N N 202 
ILE   CG1 HG13 sing N N 203 
ILE   CG2 HG21 sing N N 204 
ILE   CG2 HG22 sing N N 205 
ILE   CG2 HG23 sing N N 206 
ILE   CD1 HD11 sing N N 207 
ILE   CD1 HD12 sing N N 208 
ILE   CD1 HD13 sing N N 209 
ILE   OXT HXT  sing N N 210 
LEU   N   CA   sing N N 211 
LEU   N   H    sing N N 212 
LEU   N   H2   sing N N 213 
LEU   CA  C    sing N N 214 
LEU   CA  CB   sing N N 215 
LEU   CA  HA   sing N N 216 
LEU   C   O    doub N N 217 
LEU   C   OXT  sing N N 218 
LEU   CB  CG   sing N N 219 
LEU   CB  HB2  sing N N 220 
LEU   CB  HB3  sing N N 221 
LEU   CG  CD1  sing N N 222 
LEU   CG  CD2  sing N N 223 
LEU   CG  HG   sing N N 224 
LEU   CD1 HD11 sing N N 225 
LEU   CD1 HD12 sing N N 226 
LEU   CD1 HD13 sing N N 227 
LEU   CD2 HD21 sing N N 228 
LEU   CD2 HD22 sing N N 229 
LEU   CD2 HD23 sing N N 230 
LEU   OXT HXT  sing N N 231 
LYS   N   CA   sing N N 232 
LYS   N   H    sing N N 233 
LYS   N   H2   sing N N 234 
LYS   CA  C    sing N N 235 
LYS   CA  CB   sing N N 236 
LYS   CA  HA   sing N N 237 
LYS   C   O    doub N N 238 
LYS   C   OXT  sing N N 239 
LYS   CB  CG   sing N N 240 
LYS   CB  HB2  sing N N 241 
LYS   CB  HB3  sing N N 242 
LYS   CG  CD   sing N N 243 
LYS   CG  HG2  sing N N 244 
LYS   CG  HG3  sing N N 245 
LYS   CD  CE   sing N N 246 
LYS   CD  HD2  sing N N 247 
LYS   CD  HD3  sing N N 248 
LYS   CE  NZ   sing N N 249 
LYS   CE  HE2  sing N N 250 
LYS   CE  HE3  sing N N 251 
LYS   NZ  HZ1  sing N N 252 
LYS   NZ  HZ2  sing N N 253 
LYS   NZ  HZ3  sing N N 254 
LYS   OXT HXT  sing N N 255 
MET   N   CA   sing N N 256 
MET   N   H    sing N N 257 
MET   N   H2   sing N N 258 
MET   CA  C    sing N N 259 
MET   CA  CB   sing N N 260 
MET   CA  HA   sing N N 261 
MET   C   O    doub N N 262 
MET   C   OXT  sing N N 263 
MET   CB  CG   sing N N 264 
MET   CB  HB2  sing N N 265 
MET   CB  HB3  sing N N 266 
MET   CG  SD   sing N N 267 
MET   CG  HG2  sing N N 268 
MET   CG  HG3  sing N N 269 
MET   SD  CE   sing N N 270 
MET   CE  HE1  sing N N 271 
MET   CE  HE2  sing N N 272 
MET   CE  HE3  sing N N 273 
MET   OXT HXT  sing N N 274 
PHE   N   CA   sing N N 275 
PHE   N   H    sing N N 276 
PHE   N   H2   sing N N 277 
PHE   CA  C    sing N N 278 
PHE   CA  CB   sing N N 279 
PHE   CA  HA   sing N N 280 
PHE   C   O    doub N N 281 
PHE   C   OXT  sing N N 282 
PHE   CB  CG   sing N N 283 
PHE   CB  HB2  sing N N 284 
PHE   CB  HB3  sing N N 285 
PHE   CG  CD1  doub Y N 286 
PHE   CG  CD2  sing Y N 287 
PHE   CD1 CE1  sing Y N 288 
PHE   CD1 HD1  sing N N 289 
PHE   CD2 CE2  doub Y N 290 
PHE   CD2 HD2  sing N N 291 
PHE   CE1 CZ   doub Y N 292 
PHE   CE1 HE1  sing N N 293 
PHE   CE2 CZ   sing Y N 294 
PHE   CE2 HE2  sing N N 295 
PHE   CZ  HZ   sing N N 296 
PHE   OXT HXT  sing N N 297 
PRO   N   CA   sing N N 298 
PRO   N   CD   sing N N 299 
PRO   N   H    sing N N 300 
PRO   CA  C    sing N N 301 
PRO   CA  CB   sing N N 302 
PRO   CA  HA   sing N N 303 
PRO   C   O    doub N N 304 
PRO   C   OXT  sing N N 305 
PRO   CB  CG   sing N N 306 
PRO   CB  HB2  sing N N 307 
PRO   CB  HB3  sing N N 308 
PRO   CG  CD   sing N N 309 
PRO   CG  HG2  sing N N 310 
PRO   CG  HG3  sing N N 311 
PRO   CD  HD2  sing N N 312 
PRO   CD  HD3  sing N N 313 
PRO   OXT HXT  sing N N 314 
SER   N   CA   sing N N 315 
SER   N   H    sing N N 316 
SER   N   H2   sing N N 317 
SER   CA  C    sing N N 318 
SER   CA  CB   sing N N 319 
SER   CA  HA   sing N N 320 
SER   C   O    doub N N 321 
SER   C   OXT  sing N N 322 
SER   CB  OG   sing N N 323 
SER   CB  HB2  sing N N 324 
SER   CB  HB3  sing N N 325 
SER   OG  HG   sing N N 326 
SER   OXT HXT  sing N N 327 
SO4   S   O1   doub N N 328 
SO4   S   O2   doub N N 329 
SO4   S   O3   sing N N 330 
SO4   S   O4   sing N N 331 
THR   N   CA   sing N N 332 
THR   N   H    sing N N 333 
THR   N   H2   sing N N 334 
THR   CA  C    sing N N 335 
THR   CA  CB   sing N N 336 
THR   CA  HA   sing N N 337 
THR   C   O    doub N N 338 
THR   C   OXT  sing N N 339 
THR   CB  OG1  sing N N 340 
THR   CB  CG2  sing N N 341 
THR   CB  HB   sing N N 342 
THR   OG1 HG1  sing N N 343 
THR   CG2 HG21 sing N N 344 
THR   CG2 HG22 sing N N 345 
THR   CG2 HG23 sing N N 346 
THR   OXT HXT  sing N N 347 
TRP   N   CA   sing N N 348 
TRP   N   H    sing N N 349 
TRP   N   H2   sing N N 350 
TRP   CA  C    sing N N 351 
TRP   CA  CB   sing N N 352 
TRP   CA  HA   sing N N 353 
TRP   C   O    doub N N 354 
TRP   C   OXT  sing N N 355 
TRP   CB  CG   sing N N 356 
TRP   CB  HB2  sing N N 357 
TRP   CB  HB3  sing N N 358 
TRP   CG  CD1  doub Y N 359 
TRP   CG  CD2  sing Y N 360 
TRP   CD1 NE1  sing Y N 361 
TRP   CD1 HD1  sing N N 362 
TRP   CD2 CE2  doub Y N 363 
TRP   CD2 CE3  sing Y N 364 
TRP   NE1 CE2  sing Y N 365 
TRP   NE1 HE1  sing N N 366 
TRP   CE2 CZ2  sing Y N 367 
TRP   CE3 CZ3  doub Y N 368 
TRP   CE3 HE3  sing N N 369 
TRP   CZ2 CH2  doub Y N 370 
TRP   CZ2 HZ2  sing N N 371 
TRP   CZ3 CH2  sing Y N 372 
TRP   CZ3 HZ3  sing N N 373 
TRP   CH2 HH2  sing N N 374 
TRP   OXT HXT  sing N N 375 
TYR   N   CA   sing N N 376 
TYR   N   H    sing N N 377 
TYR   N   H2   sing N N 378 
TYR   CA  C    sing N N 379 
TYR   CA  CB   sing N N 380 
TYR   CA  HA   sing N N 381 
TYR   C   O    doub N N 382 
TYR   C   OXT  sing N N 383 
TYR   CB  CG   sing N N 384 
TYR   CB  HB2  sing N N 385 
TYR   CB  HB3  sing N N 386 
TYR   CG  CD1  doub Y N 387 
TYR   CG  CD2  sing Y N 388 
TYR   CD1 CE1  sing Y N 389 
TYR   CD1 HD1  sing N N 390 
TYR   CD2 CE2  doub Y N 391 
TYR   CD2 HD2  sing N N 392 
TYR   CE1 CZ   doub Y N 393 
TYR   CE1 HE1  sing N N 394 
TYR   CE2 CZ   sing Y N 395 
TYR   CE2 HE2  sing N N 396 
TYR   CZ  OH   sing N N 397 
TYR   OH  HH   sing N N 398 
TYR   OXT HXT  sing N N 399 
VAL   N   CA   sing N N 400 
VAL   N   H    sing N N 401 
VAL   N   H2   sing N N 402 
VAL   CA  C    sing N N 403 
VAL   CA  CB   sing N N 404 
VAL   CA  HA   sing N N 405 
VAL   C   O    doub N N 406 
VAL   C   OXT  sing N N 407 
VAL   CB  CG1  sing N N 408 
VAL   CB  CG2  sing N N 409 
VAL   CB  HB   sing N N 410 
VAL   CG1 HG11 sing N N 411 
VAL   CG1 HG12 sing N N 412 
VAL   CG1 HG13 sing N N 413 
VAL   CG2 HG21 sing N N 414 
VAL   CG2 HG22 sing N N 415 
VAL   CG2 HG23 sing N N 416 
VAL   OXT HXT  sing N N 417 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HNM 
_atom_sites.fract_transf_matrix[1][1]   0.010474 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.010474 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   -0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.021852 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS   A 1 2   ? -13.352 -12.766 -9.944  1.00 70.89 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.899 -13.407 -11.228 1.00 66.00 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.764 -12.582 -11.847 1.00 67.00 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.653 -11.371 -11.533 1.00 69.73 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -14.079 -13.592 -12.202 1.00 57.64 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.622 -12.326 -12.785 1.00 52.83 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.072 -11.732 -13.905 1.00 50.80 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.674 -11.553 -12.432 1.00 50.95 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.743 -10.635 -14.198 1.00 51.78 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.733 -10.498 -13.311 1.00 46.17 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.980 -13.212 -12.723 1.00 60.80 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.820  -12.606 -13.426 1.00 62.87 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.029 -12.678 -14.952 1.00 55.51 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.022  -12.862 -15.656 1.00 55.54 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.529  -13.293 -12.930 1.00 70.62 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.394  -13.331 -11.438 1.00 79.58 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -7.988  -12.227 -10.694 1.00 78.35 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.609  -14.324 -10.543 1.00 82.88 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.960  -12.542 -9.414  1.00 80.73 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.333  -13.825 -9.295  1.00 85.03 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.275 -12.498 -15.442 1.00 44.53 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.695 -12.659 -16.869 1.00 38.51 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.678 -11.316 -17.618 1.00 36.19 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.822 -11.329 -18.868 1.00 33.80 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.106 -13.273 -16.977 1.00 35.37 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.233 -14.633 -16.376 1.00 36.38 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.301 -15.650 -16.606 1.00 32.86 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.176 -15.158 -15.567 1.00 34.09 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.686 -16.741 -15.974 1.00 39.50 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.833 -16.465 -15.325 1.00 38.34 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.520 -10.194 -16.899 1.00 37.18 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.571 -8.804  -17.438 1.00 39.67 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.680 -8.642  -18.686 1.00 37.74 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.105 -7.909  -19.617 1.00 41.39 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.225 -7.780  -16.336 1.00 45.83 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.068 -7.910  -15.109 1.00 55.76 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.625 -8.579  -13.970 1.00 65.98 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.328 -7.492  -14.835 1.00 61.09 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.575 -8.554  -13.047 1.00 66.07 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.634 -7.892  -13.553 1.00 60.61 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.524  -9.318  -18.747 1.00 35.49 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.529  -9.219  -19.854 1.00 34.86 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.050  -9.802  -21.174 1.00 32.40 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.424  -9.515  -22.207 1.00 34.91 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.174  -9.854  -19.483 1.00 41.05 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.186  -11.285 -19.056 1.00 43.56 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.584  -12.291 -19.808 1.00 45.59 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.633  -11.878 -17.929 1.00 46.65 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.705  -13.443 -19.185 1.00 45.15 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.346  -13.221 -18.030 1.00 52.03 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.119 -10.608 -21.163 1.00 29.46 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.756 -11.163 -22.396 1.00 25.53 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.872 -10.229 -22.872 1.00 22.52 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.716 -10.680 -23.670 1.00 21.13 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.320 -12.552 -22.139 1.00 25.86 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.283 -13.522 -21.690 1.00 27.27 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.211  -13.844 -22.504 1.00 25.53 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.137 -14.210 -20.538 1.00 27.49 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.437  -14.692 -21.861 1.00 27.36 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.966  -14.936 -20.657 1.00 28.08 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.917 -9.011  -22.341 1.00 23.19 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.960 -8.000  -22.678 1.00 26.02 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.062 -7.837  -24.203 1.00 26.81 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.035 -7.691  -24.891 1.00 27.55 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.624 -6.660  -22.011 1.00 31.73 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.614 -5.518  -22.278 1.00 36.26 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.261 -5.701  -21.472 1.00 46.38 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.881 -5.174  -19.803 1.00 38.15 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.280 -7.857  -24.738 1.00 21.61 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.568 -7.613  -26.178 1.00 21.86 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.565 -6.435  -26.271 1.00 24.75 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.417 -6.253  -25.373 1.00 22.01 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.084 -8.872  -26.902 1.00 25.29 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -13.981 -9.915  -27.000 1.00 26.71 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.326 -9.451  -26.250 1.00 25.37 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.487 -5.666  -27.348 1.00 24.64 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.365 -4.490  -27.571 1.00 23.94 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.606 -4.972  -28.324 1.00 23.21 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.513 -5.323  -29.509 1.00 24.73 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.627 -3.405  -28.350 1.00 25.07 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.402 -2.138  -28.546 1.00 28.01 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.537 -1.173  -27.554 1.00 33.09 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.088 -1.677  -29.623 1.00 30.45 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.263 -0.160  -28.020 1.00 29.55 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.625 -0.449  -29.293 1.00 32.80 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.728 -5.111  -27.622 1.00 18.76 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.977 -5.627  -28.239 1.00 19.94 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.803 -4.444  -28.763 1.00 19.53 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.838 -3.436  -28.119 1.00 20.22 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.785 -6.473  -27.237 1.00 19.81 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.977 -7.658  -26.700 1.00 21.62 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.114 -6.872  -27.871 1.00 19.45 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.397 -8.585  -27.765 1.00 21.14 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.381 -4.601  -29.941 1.00 19.21 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.381 -3.639  -30.493 1.00 19.70 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.649 -4.402  -30.890 1.00 20.06 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.585 -5.622  -31.164 1.00 20.18 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.749 -2.829  -31.633 1.00 21.04 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.418 -3.735  -32.665 1.00 22.32 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.544 -2.002  -31.235 1.00 25.76 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.801 -3.729  -30.884 1.00 18.09 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.095 -4.366  -31.178 1.00 19.00 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.355 -4.338  -32.684 1.00 19.04 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.001 -3.336  -33.349 1.00 18.84 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.163 -3.631  -30.367 1.00 19.01 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.913 -3.653  -28.865 1.00 19.23 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.849 -2.723  -28.118 1.00 21.10 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.016 -5.088  -28.320 1.00 19.37 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.949 -5.392  -33.194 1.00 17.49 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.297 -5.553  -34.620 1.00 19.35 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.780 -5.142  -34.785 1.00 20.50 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.662 -5.943  -34.495 1.00 18.70 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.014 -6.978  -35.074 1.00 18.85 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.317 -7.276  -36.529 1.00 23.87 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.962 -6.419  -37.182 1.00 22.48 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -26.955 -8.383  -36.986 1.00 22.92 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.002 -3.910  -35.262 0.25 20.38 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.009 -3.915  -35.262 0.25 21.76 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.335 -3.306  -35.555 0.25 21.50 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.357 -3.325  -35.501 0.25 23.80 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.227 -4.283  -36.320 0.25 20.81 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.234 -4.271  -36.330 0.25 22.13 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.449 -4.281  -36.080 0.25 19.04 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.462 -4.250  -36.127 0.25 20.11 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.183 -2.047  -36.423 0.25 22.08 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.228 -1.976  -36.224 0.25 26.71 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.158 -1.052  -35.906 0.25 24.15 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.843 -0.811  -35.322 0.25 30.67 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.145 0.279   -36.645 0.25 24.03 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.355 -0.487  -35.357 0.25 35.11 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.594 1.331   -35.802 0.25 23.53 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -27.958 0.479   -36.382 0.25 37.16 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.285 1.941   -34.853 0.25 22.55 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.435 0.175   -37.570 0.25 39.57 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.542 1.596   -34.663 0.25 22.91 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.240 -1.081  -37.928 0.25 41.46 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.724 2.864   -34.095 0.25 23.12 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.099 1.142   -38.402 0.25 41.97 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.649 -5.047  -37.249 1.00 21.71 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.430 -5.892  -38.181 1.00 21.86 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.076 -7.078  -37.460 1.00 19.21 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.116 -7.560  -37.956 1.00 20.37 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.588 -6.310  -39.386 1.00 26.61 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.377 -5.149  -40.333 1.00 30.88 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.124 -4.174  -40.319 1.00 40.01 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.341 -5.240  -41.144 1.00 41.13 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.561 -7.473  -36.280 1.00 16.65 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.111 -8.597  -35.496 1.00 16.80 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.173 -8.088  -34.517 1.00 17.04 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.813 -8.902  -33.869 1.00 16.50 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.010 -9.365  -34.744 1.00 16.45 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.503 -8.522  -33.702 1.00 17.60 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -29.945 -9.854  -35.703 1.00 18.23 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.268 -6.779  -34.298 1.00 16.43 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.081 -6.239  -33.175 1.00 15.69 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.574 -6.397  -33.468 1.00 16.83 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.025 -6.147  -34.591 1.00 17.37 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.745 -4.792  -32.953 1.00 17.52 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.338 -6.740  -32.442 1.00 16.13 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.797 -6.536  -32.430 1.00 15.98 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.091 -5.097  -32.897 1.00 15.84 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.372 -4.155  -32.536 1.00 15.33 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.330 -6.886  -31.047 1.00 17.96 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.804 -6.626  -30.971 1.00 19.27 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.203 -5.499  -30.738 1.00 18.74 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.599 -7.653  -31.187 1.00 21.06 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.165 -4.940  -33.649 1.00 15.74 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.520 -3.678  -34.350 1.00 16.49 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.874 -2.551  -33.379 1.00 16.24 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -39.935 -1.400  -33.851 1.00 17.14 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.649 -3.894  -35.314 1.00 18.39 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.771 -4.351  -34.575 1.00 21.00 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.063 -2.820  -32.098 1.00 15.88 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.378 -1.815  -31.074 1.00 15.53 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.126 -1.354  -30.350 1.00 15.28 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.235 -0.418  -29.536 1.00 16.05 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.388 -2.343  -30.080 1.00 15.45 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.776 -2.430  -30.615 1.00 16.70 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.188 -2.992  -31.790 1.00 17.62 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.949 -2.011  -29.924 1.00 19.05 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.560 -2.909  -31.898 1.00 20.60 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.044 -2.337  -30.748 1.00 18.85 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.161 -1.404  -28.682 1.00 20.59 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.352 -2.026  -30.365 1.00 23.16 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.454 -1.095  -28.306 1.00 22.12 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.524 -1.438  -29.125 1.00 23.08 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.940 -1.909  -30.658 1.00 15.56 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.743 -1.498  -29.889 1.00 15.58 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.120 -0.234  -30.504 1.00 16.17 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.145 -0.045  -31.725 1.00 15.92 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.712 -2.636  -29.868 1.00 14.63 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.162 -3.915  -29.176 1.00 15.64 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.044 -4.930  -29.132 1.00 15.90 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.621 -3.650  -27.757 1.00 16.88 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.475 0.522   -29.639 1.00 15.95 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.709 1.735   -30.008 1.00 16.17 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.269 1.478   -29.575 1.00 16.81 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.001 1.394   -28.365 1.00 16.85 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.277 2.988   -29.346 1.00 16.52 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.747 3.272   -29.727 1.00 17.52 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.380 4.184   -29.687 1.00 18.14 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.412 4.267   -28.865 1.00 18.15 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.394 1.392   -30.554 1.00 18.72 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.935 1.189   -30.349 1.00 19.95 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.243 2.536   -30.533 1.00 22.40 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.517 3.264   -31.542 1.00 21.84 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.399 0.138   -31.312 1.00 20.82 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.976 -1.227  -30.960 1.00 22.64 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.866 0.108   -31.306 1.00 20.49 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.707 -2.207  -31.935 1.00 25.00 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.350 2.875   -29.617 1.00 19.99 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.668 4.183   -29.635 1.00 19.94 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.770 4.272   -30.885 1.00 19.33 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.434 3.251   -31.495 1.00 21.12 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.895 4.383   -28.363 1.00 20.76 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.955 3.332   -28.223 1.00 21.45 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.390 5.502   -31.271 1.00 22.95 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.520 5.761   -32.438 1.00 23.96 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.217 4.967   -32.321 1.00 21.94 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.741 4.492   -33.356 1.00 25.50 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.215 7.261   -32.489 1.00 27.01 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.258 7.660   -33.590 1.00 32.89 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.329 9.139   -33.840 1.00 34.45 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.108 9.922   -32.566 1.00 38.11 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.311 11.358  -32.813 1.00 41.43 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.667 4.841   -31.111 1.00 23.38 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.373 4.124   -30.904 1.00 23.12 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.582 2.599   -30.887 1.00 22.42 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.578 1.860   -30.751 1.00 21.42 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.654 4.630   -29.657 1.00 23.41 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.327 4.340   -28.322 1.00 24.21 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.401 3.662   -28.303 1.00 23.67 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.750 4.776   -27.295 1.00 28.47 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.815 2.132   -30.967 1.00 20.13 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.158 0.693   -30.964 1.00 19.50 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.705 0.040   -29.640 1.00 17.72 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.556 -1.187  -29.629 1.00 17.95 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.612 0.024   -32.235 1.00 23.12 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.223 0.624   -33.498 1.00 27.34 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.913 -0.080  -34.785 1.00 36.47 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.501 -0.348  -34.973 1.00 45.69 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.913 -1.563  -34.956 1.00 61.45 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.599 -2.685  -34.742 1.00 54.84 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.606 -1.646  -35.169 1.00 66.63 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.684 0.776   -28.537 1.00 16.93 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.304 0.235   -27.201 1.00 19.52 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.456 0.251   -26.189 1.00 18.31 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.281 -0.306  -25.065 1.00 18.88 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.125 1.018   -26.620 1.00 19.82 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.908 0.931   -27.533 1.00 20.76 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -20.989 -0.228  -27.263 1.00 23.23 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.254 -0.066  -26.011 1.00 25.01 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.543 -1.036  -25.427 1.00 23.76 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.478 -2.217  -25.998 1.00 24.23 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.904 -0.818  -24.290 1.00 23.45 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.617 0.809   -26.537 1.00 17.62 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.785 0.858   -25.627 1.00 16.34 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.050 0.481   -26.400 1.00 16.27 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.142 0.730   -27.653 1.00 16.05 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.031 2.249   -25.018 1.00 19.93 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.794 2.871   -24.430 1.00 23.53 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.161 4.098   -23.637 1.00 26.18 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.310 4.292   -23.226 1.00 28.29 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.154 4.892   -23.359 1.00 30.17 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.978 -0.156  -25.685 1.00 15.62 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.269 -0.578  -26.298 1.00 15.94 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.347 -0.389  -25.229 1.00 15.51 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.144 -0.766  -24.057 1.00 15.58 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.201 -1.992  -26.916 1.00 15.20 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.772 -3.072  -25.912 1.00 14.75 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.523 -2.403  -27.570 1.00 15.88 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.511 0.088   -25.656 1.00 15.88 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.711 0.157   -24.794 1.00 15.98 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.954 -0.116  -25.629 1.00 16.72 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.924 -0.035  -26.868 1.00 13.96 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.842 1.496   -24.076 1.00 16.94 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.093 2.651   -25.030 1.00 19.97 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -34.954 3.972   -24.279 1.00 22.94 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.159 5.086   -25.198 1.00 27.72 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.326 5.630   -25.523 1.00 27.89 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.456 5.170   -25.027 1.00 28.16 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.353 6.659   -26.368 1.00 31.20 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -37.026 -0.448  -24.910 0.36 17.24 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.039 -0.521  -24.981 0.35 16.52 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.391 -0.674  -25.453 0.36 19.40 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.300 -0.795  -25.720 0.35 17.60 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -38.995 0.686   -25.809 0.36 18.59 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.084 0.513   -25.820 0.35 17.91 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -38.984 1.576   -24.942 0.36 19.02 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.321 1.142   -24.774 0.35 19.24 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.250 -1.374  -24.392 0.36 20.44 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.158 -1.857  -25.034 0.35 17.87 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.673 -1.646  -24.838 0.36 22.44 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.466 -2.096  -25.778 0.35 19.17 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.678 -2.737  -26.290 0.36 24.67 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.316 -3.577  -25.205 0.35 19.77 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.102 -3.763  -25.942 0.36 26.29 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.542 -3.708  -26.509 0.35 21.12 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.425 0.872   -27.057 1.00 18.70 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.175 2.084   -27.426 1.00 18.79 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.632 1.938   -27.037 1.00 18.41 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.069 0.816   -26.651 1.00 17.82 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.401 3.037   -27.110 1.00 21.97 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.832 2.951   -26.692 1.00 25.18 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.695 2.526   -27.901 1.00 24.24 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.909 2.226   -27.678 1.00 25.89 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.273 4.214   -25.926 1.00 33.00 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.866 4.229   -24.438 1.00 40.80 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.594 3.142   -23.873 1.00 44.53 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.847 5.323   -23.812 1.00 43.14 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.091 2.345   -29.076 1.00 19.77 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.788 1.854   -30.310 1.00 21.32 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.805 1.162   -31.254 1.00 19.96 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.547 1.203   -31.019 1.00 16.94 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.481 3.014   -31.055 1.00 20.17 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.303 2.531   -32.122 1.00 26.13 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.508 3.925   -31.742 1.00 19.79 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.303 0.665   -32.382 1.00 21.15 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.460 0.236   -33.538 1.00 19.48 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.509 1.363   -33.937 1.00 20.93 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.003 2.490   -34.086 1.00 20.66 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.383 -0.184  -34.677 1.00 19.03 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.767 -0.855  -35.853 1.00 17.04 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -42.997 -0.202  -36.788 1.00 16.49 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -43.895 -2.129  -36.292 1.00 16.93 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.678 -1.044  -37.740 1.00 17.08 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.197 -2.255  -37.454 1.00 15.85 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.224 1.060   -34.214 1.00 16.81 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.203 2.091   -34.482 1.00 17.52 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.019 2.339   -35.986 1.00 18.75 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.011 2.973   -36.378 1.00 20.28 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -38.913 1.721   -33.746 1.00 17.51 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.112 1.793   -32.267 1.00 17.40 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.613 3.122   -31.771 1.00 18.81 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.587 3.209   -31.024 1.00 20.76 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.983 4.205   -32.212 1.00 18.12 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -40.999 1.966   -36.815 1.00 17.48 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.095 2.432   -38.234 1.00 18.39 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.012 1.801   -39.091 1.00 19.67 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.568 2.412   -40.079 1.00 20.82 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.126 3.973   -38.337 1.00 18.30 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.806 4.431   -39.613 1.00 18.76 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.688 3.744   -40.129 1.00 18.44 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.374 5.554   -40.186 1.00 17.72 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.645 0.546   -38.788 1.00 20.80 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.654 -0.237  -39.578 1.00 21.95 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.414 -1.272  -40.413 1.00 20.66 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.455 -1.684  -39.976 1.00 19.61 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.617 -0.894  -38.645 1.00 22.50 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.742 0.155   -37.977 1.00 25.92 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.252 -1.777  -37.578 1.00 24.65 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.886 -1.680  -41.562 1.00 21.30 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.420 -2.824  -42.340 1.00 23.90 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.222 -4.144  -41.589 1.00 21.94 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.304 -4.271  -40.779 1.00 21.73 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.836 -2.908  -43.729 1.00 27.33 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.441 -3.119  -43.650 1.00 25.81 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.038 -5.145  -41.893 1.00 21.71 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.886 -6.487  -41.289 1.00 22.13 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.797 -7.230  -42.061 1.00 22.58 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.531 -6.897  -43.240 1.00 21.89 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.206 -7.231  -41.263 1.00 23.14 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.175 -8.455  -40.385 1.00 26.82 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.404 -8.473  -39.343 1.00 20.83 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -41.773 -9.432  -40.842 1.00 31.86 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.161 -8.201  -41.415 1.00 21.40 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.154 -9.080  -42.055 1.00 21.78 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.107 -10.394 -41.269 1.00 23.48 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.699 -10.491 -40.148 1.00 23.14 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.813 -8.403  -42.239 1.00 22.80 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.071 -8.253  -40.931 1.00 22.64 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -34.877 -9.228  -40.220 1.00 26.74 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.725 -7.049  -40.579 1.00 22.89 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.523 -11.417 -41.867 1.00 22.94 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.577 -12.783 -41.293 1.00 23.71 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.674 -12.857 -40.038 1.00 21.83 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.848 -13.849 -39.261 1.00 21.99 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.112 -13.779 -42.369 1.00 28.28 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.667 -13.575 -42.768 1.00 34.93 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.198 -14.410 -43.934 1.00 43.56 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.685 -14.435 -44.004 1.00 48.08 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.231 -15.538 -44.883 1.00 57.09 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.759 -11.905 -39.850 1.00 21.50 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.862 -11.880 -38.652 1.00 23.32 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.602 -11.401 -37.388 1.00 21.12 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.194 -11.782 -36.258 1.00 21.63 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.645 -11.018 -38.923 1.00 27.26 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.709 -11.565 -39.986 1.00 31.54 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.567 -10.589 -40.195 1.00 37.62 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.568 -9.903  -41.240 1.00 45.87 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.734 -10.427 -39.278 1.00 43.67 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.620 -10.549 -37.505 1.00 19.13 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.168 -9.858  -36.304 1.00 19.34 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.886 -10.822 -35.367 1.00 17.23 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.713 -11.666 -35.811 1.00 19.05 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.158 -8.750  -36.691 1.00 18.52 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.568 -7.626  -37.509 1.00 20.67 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.516 -6.406  -37.465 1.00 18.58 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -36.997 -5.395  -38.365 1.00 19.00 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.922 -4.652  -38.134 1.00 20.02 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.263 -4.725  -36.979 1.00 19.20 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.469 -3.824  -39.058 1.00 22.13 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.608 -10.710 -34.062 1.00 16.67 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.405 -11.423 -33.050 1.00 15.23 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.829 -10.821 -33.101 1.00 18.20 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -38.969 -9.629  -32.825 1.00 17.82 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.803 -11.322 -31.661 1.00 14.74 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.559 -12.165 -31.503 1.00 14.11 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.689 -13.521 -31.274 1.00 14.51 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.289 -11.609 -31.558 1.00 16.02 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.562 -14.327 -31.125 1.00 15.46 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.170 -12.420 -31.398 1.00 15.38 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.316 -13.784 -31.211 1.00 15.01 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.837 -11.633 -33.344 1.00 20.21 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.218 -11.113 -33.573 1.00 20.89 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -42.001 -10.952 -32.269 1.00 20.38 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.765 -9.949  -32.162 1.00 23.75 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -41.951 -11.980 -34.572 1.00 20.54 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.129 -13.301 -34.085 1.00 19.84 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.874 -11.860 -31.311 1.00 18.15 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.814 -12.003 -30.170 1.00 18.90 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.315 -11.262 -28.936 1.00 17.85 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.114 -11.070 -27.985 1.00 19.14 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.136 -13.446 -29.842 1.00 19.36 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -44.082 -14.109 -30.842 1.00 23.30 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.911 -13.995 -32.054 1.00 23.12 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -45.017 -14.889 -30.337 1.00 27.30 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -41.006 -11.008 -28.855 1.00 16.37 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.396 -10.528 -27.596 1.00 16.08 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.411 -9.405  -27.905 1.00 16.26 ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.881 -9.301  -29.014 1.00 15.69 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.639 -11.652 -26.876 1.00 15.91 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.357 -12.982 -26.796 1.00 16.49 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.375 -13.170 -25.874 1.00 17.92 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -40.031 -14.048 -27.623 1.00 17.30 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -42.045 -14.385 -25.756 1.00 20.95 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.717 -15.263 -27.551 1.00 17.81 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.728 -15.422 -26.614 1.00 21.17 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.360 -16.630 -26.503 1.00 20.67 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.131 -8.531  -26.912 1.00 15.31 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.272 -7.354  -27.098 1.00 15.82 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.769 -7.704  -27.055 1.00 14.77 ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -36.042 -7.194  -26.240 1.00 15.92 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.654 -6.434  -25.920 1.00 16.77 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.838 -7.092  -25.261 1.00 16.76 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.758 -8.547  -25.589 1.00 16.21 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.372 -8.590  -27.979 1.00 15.28 ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -35.013 -9.179  -28.061 1.00 13.06 ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.185 -8.600  -29.211 1.00 14.17 ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.713 -8.131  -30.243 1.00 14.33 ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.118 -10.703 -28.223 1.00 13.84 ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.715 -11.380 -27.025 1.00 13.43 ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.216 -13.094 -27.432 1.00 15.82 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.873 -13.744 -25.899 1.00 16.25 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.857 -8.675  -29.054 1.00 14.21 ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.888 -8.213  -30.086 1.00 15.00 ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.586 -8.992  -29.861 1.00 14.58 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.330 -9.398  -28.672 1.00 14.63 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.696 -6.680  -30.042 1.00 14.29 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.152 -6.199  -28.720 1.00 14.50 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.832 -6.147  -31.205 1.00 14.89 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.824 -9.200  -30.923 1.00 15.12 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.487 -9.844  -30.823 1.00 15.11 ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.373 -8.826  -30.945 1.00 16.39 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.511 -7.758  -31.631 1.00 16.78 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.337 -10.915 -31.909 1.00 15.65 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.407 -11.984 -31.959 1.00 15.32 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.101 -13.082 -32.966 1.00 16.56 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.649 -12.615 -30.583 1.00 16.34 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.227 -9.150  -30.362 1.00 15.34 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -24.984 -8.449  -30.715 1.00 15.37 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.575 -8.810  -32.138 1.00 15.69 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.931 -9.905  -32.614 1.00 17.09 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.811 -7.943  -32.775 1.00 17.53 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.319 -8.133  -34.167 1.00 18.57 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.207 -9.194  -34.186 1.00 20.60 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.059 -9.887  -35.218 1.00 22.81 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.815 -6.818  -34.649 1.00 20.87 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.458 -9.297  -33.096 1.00 19.53 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.244 -10.151 -33.032 1.00 19.66 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.685 -11.620 -33.051 1.00 21.44 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.704 -11.965 -32.407 1.00 20.33 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.392 -9.794  -31.803 1.00 21.39 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.699 -8.440  -31.876 1.00 23.59 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.666 -7.270  -31.778 1.00 24.28 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.653 -7.316  -31.057 1.00 21.82 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.418 -6.206  -32.510 1.00 24.91 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.978 -12.462 -33.824 1.00 20.94 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.127 -13.938 -33.806 1.00 20.57 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.848 -14.555 -33.221 1.00 19.68 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.742 -14.132 -33.607 1.00 21.65 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.319 -14.541 -35.206 1.00 25.79 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.697 -14.344 -35.834 1.00 32.59 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.138 -12.891 -35.854 1.00 36.38 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -23.093 -12.326 -36.827 1.00 42.80 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.750 -12.945 -37.814 1.00 41.10 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.576 -12.244 -38.573 1.00 45.77 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.634 -14.233 -38.048 1.00 42.96 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.991 -15.500 -32.300 1.00 20.05 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.831 -16.145 -31.627 1.00 19.28 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.888 -17.646 -31.918 1.00 17.36 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.906 -18.273 -31.672 1.00 15.70 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.890 -15.852 -30.115 1.00 22.51 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.875 -14.376 -29.786 1.00 21.65 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.881 -13.550 -30.286 1.00 24.28 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.848 -13.807 -28.996 1.00 28.72 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.846 -12.191 -30.000 1.00 27.91 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.797 -12.454 -28.690 1.00 24.09 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.826 -11.653 -29.214 1.00 27.24 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.780 -18.222 -32.401 0.25 17.88 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.779 -18.223 -32.407 0.25 18.39 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.683 -19.671 -32.715 0.25 17.77 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.656 -19.676 -32.708 0.25 18.69 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.465 -20.298 -32.011 0.25 17.39 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.380 -20.261 -32.091 0.25 18.88 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.325 -21.534 -32.062 0.25 17.31 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -15.002 -21.379 -32.471 0.25 19.05 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.697 -19.889 -34.213 0.25 18.19 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.681 -19.929 -34.185 0.25 18.91 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.031 -19.750 -34.727 0.25 18.15 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.604 -19.271 -34.818 0.25 18.47 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.666 -19.484 -31.315 0.25 17.05 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.742 -19.532 -31.181 0.25 19.33 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.481 -19.931 -30.542 0.25 17.62 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.475 -19.951 -30.543 0.25 20.34 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.190 -18.961 -29.395 0.25 18.63 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.052 -18.916 -29.506 0.25 20.12 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.830 -17.902 -29.337 0.25 18.66 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.420 -17.742 -29.683 0.25 18.91 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.283 -20.056 -31.448 0.25 17.37 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.409 -20.131 -31.590 0.25 21.59 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.837 -18.775 -31.852 0.25 16.14 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.202 -20.562 -30.991 0.25 23.78 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.259 -19.337 -28.514 1.00 19.42 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.625 -18.394 -27.587 1.00 21.41 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.472 -18.089 -26.373 1.00 19.45 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.504 -18.760 -26.158 1.00 18.47 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.974 -17.112 -25.628 1.00 18.77 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.543 -16.614 -24.377 1.00 19.87 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.945 -15.151 -24.618 1.00 19.71 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.144 -14.340 -25.106 1.00 20.51 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.525 -16.811 -23.260 1.00 20.93 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.141 -18.257 -22.943 1.00 20.44 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -10.014 -18.315 -21.875 1.00 24.22 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.587  -19.726 -21.538 1.00 27.84 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.612  -19.713 -20.424 1.00 29.96 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.164 -14.818 -24.221 1.00 18.28 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.802 -13.498 -24.430 1.00 17.15 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.474 -13.056 -23.130 1.00 16.13 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.038 -13.890 -22.432 1.00 16.66 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.900 -13.619 -25.482 1.00 17.01 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.434 -13.740 -26.915 1.00 18.52 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.707 -15.326 -27.440 1.00 21.57 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.915 -16.559 -26.981 1.00 20.57 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.442 -11.764 -22.850 1.00 16.49 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.035 -11.190 -21.616 1.00 17.35 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.644 -9.849  -21.991 1.00 17.31 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -15.999 -9.014  -22.724 1.00 18.97 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -15.001 -11.062 -20.496 1.00 19.33 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.533 -10.428 -19.234 1.00 17.58 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.224 -11.185 -18.326 1.00 17.86 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.342 -9.069  -18.962 1.00 18.68 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.769 -10.621 -17.180 1.00 19.04 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.847 -8.496  -17.806 1.00 18.51 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.580 -9.265  -16.928 1.00 18.13 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.066 -8.681  -15.797 1.00 20.42 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.859 -9.596  -21.515 1.00 15.33 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.430 -8.233  -21.604 1.00 15.24 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.330 -7.956  -20.389 1.00 16.22 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.680 -8.912  -19.653 1.00 16.43 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.182 -8.025  -22.948 1.00 15.21 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.364 -8.904  -23.197 1.00 15.32 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.702 -8.605  -22.997 1.00 14.69 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.346 -10.232 -23.734 1.00 15.98 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.484 -9.652  -23.425 1.00 15.38 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.682 -10.676 -23.827 1.00 15.92 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.313 -11.095 -24.128 1.00 17.57 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -22.016 -11.930 -24.309 1.00 17.05 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.643 -12.343 -24.604 1.00 19.92 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -20.970 -12.745 -24.708 1.00 18.23 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.742 -6.686  -20.217 1.00 15.28 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.568 -6.253  -19.058 1.00 15.16 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.788 -5.515  -19.568 1.00 15.69 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.668 -4.777  -20.546 1.00 16.30 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.775 -5.398  -18.090 1.00 16.93 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.689 -6.233  -17.416 1.00 19.66 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.835 -5.487  -16.416 1.00 23.03 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -17.980 -4.214  -16.368 1.00 26.27 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -17.024 -6.156  -15.679 1.00 22.15 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.896 -5.694  -18.866 1.00 15.96 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.177 -5.036  -19.214 1.00 15.45 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.745 -4.344  -17.978 1.00 15.04 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.823 -4.981  -16.915 1.00 14.40 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.184 -6.065  -19.754 1.00 15.30 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.443 -5.370  -20.220 1.00 16.65 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.571 -6.930  -20.832 1.00 16.56 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.191 -3.099  -18.148 1.00 15.05 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.849 -2.294  -17.092 1.00 16.20 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.338 -2.593  -17.139 1.00 14.85 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -27.958 -2.491  -18.250 1.00 16.53 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.543 -0.796  -17.244 1.00 18.38 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.951 0.006   -16.017 1.00 19.66 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.126 0.025   -15.679 1.00 19.95 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.051 0.476   -15.317 1.00 25.88 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.901 -2.997  -16.001 1.00 15.75 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.337 -3.364  -15.826 1.00 16.31 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.017 -2.436  -14.796 1.00 17.11 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.119 -2.769  -14.290 1.00 15.93 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.501 -4.867  -15.460 1.00 16.02 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -28.916 -5.783  -16.564 1.00 15.58 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.888 -5.219  -14.106 1.00 16.83 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.396 -1.299  -14.472 1.00 16.66 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.872 -0.377  -13.420 1.00 19.01 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.367 -0.069  -13.615 1.00 18.63 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.816 0.247   -14.749 1.00 18.72 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.078 0.925   -13.420 1.00 19.42 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.721 0.613   -13.077 1.00 21.61 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.675 1.865   -12.393 1.00 23.31 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.082 -0.174  -12.492 1.00 21.75 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.529 0.093   -12.249 1.00 26.95 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.484 -0.792  -13.061 1.00 27.01 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.717 -0.643  -12.869 1.00 28.99 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.826 1.587   -12.380 1.00 34.39 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.588 2.212   -13.747 1.00 38.81 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.558 3.321   -14.103 1.00 44.63 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.175 4.361   -14.644 1.00 47.92 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.841 3.065   -13.890 1.00 52.21 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.036 -1.758  -13.853 1.00 17.85 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -35.008 -2.604  -14.565 1.00 16.67 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.678 -3.649  -13.642 1.00 15.50 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.070 -4.130  -12.649 1.00 17.63 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.291 -3.272  -15.737 1.00 17.14 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.844 -2.263  -16.795 1.00 17.49 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.382 -2.914  -18.091 1.00 17.94 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.473 -3.693  -18.798 1.00 17.13 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.649 -2.855  -19.200 1.00 15.90 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -36.930 -3.951  -13.949 1.00 14.43 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.720 -4.992  -13.257 1.00 15.01 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.648 -6.347  -13.971 1.00 14.66 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.012 -7.362  -13.372 1.00 15.23 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.198 -4.559  -13.196 1.00 15.82 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.397 -3.321  -12.373 1.00 17.48 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -40.846 -2.827  -12.450 1.00 17.90 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.131 -1.897  -11.730 1.00 23.07 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.615 -3.346  -13.275 1.00 20.95 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.305 -6.383  -15.260 1.00 14.62 ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.344 -7.636  -16.038 1.00 14.30 ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.368 -7.529  -17.206 1.00 15.27 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.285 -6.463  -17.825 1.00 14.26 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.744 -7.929  -16.538 1.00 14.97 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.640 -8.607  -17.473 1.00 13.82 ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.628 -8.675  -18.569 1.00 14.11 ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.141 -10.109 -18.677 1.00 14.22 ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.215 -10.852 -17.686 1.00 14.18 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.457 -7.675  -18.397 1.00 14.88 ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.791 -7.691  -17.057 1.00 13.98 ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -33.010 -6.828  -16.031 1.00 15.08 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.853 -8.662  -16.535 1.00 14.40 ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.259 -7.148  -14.936 1.00 16.20 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.559 -8.293  -15.214 1.00 15.84 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.232 -9.800  -17.076 1.00 15.64 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.637 -8.968  -14.426 1.00 15.63 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.361 -10.508 -16.275 1.00 15.21 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -30.063 -10.085 -14.974 1.00 15.64 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.625 -10.453 -19.849 1.00 13.72 ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.860 -11.705 -20.084 1.00 14.44 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.504 -11.303 -20.670 1.00 14.23 ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.474 -10.383 -21.528 1.00 13.87 ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.552 -12.674 -21.040 1.00 15.87 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -35.050 -12.895 -20.881 1.00 18.38 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.500 -12.915 -19.765 1.00 19.93 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.730 -13.058 -21.919 1.00 20.01 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.433 -11.982 -20.272 1.00 13.70 ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.073 -11.751 -20.803 1.00 13.12 ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.343 -13.082 -20.999 1.00 13.55 ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.477 -13.960 -20.165 1.00 13.00 ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.239 -10.877 -19.870 1.00 13.66 ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.606 -9.404  -19.763 1.00 14.22 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.807 -8.789  -18.605 1.00 15.20 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.365 -8.715  -21.081 1.00 14.43 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.479 -13.121 -22.004 1.00 12.44 ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.473 -14.191 -22.108 1.00 13.80 ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -25.974 -14.288 -23.528 1.00 13.01 ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.633 -13.278 -24.120 1.00 12.94 ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.915 -15.513 -24.051 0.25 12.76 ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -25.992 -15.497 -24.080 0.25 13.21 ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.515 -15.809 -25.459 0.25 12.96 ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.461 -15.796 -25.440 0.25 13.69 ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.505 -16.800 -26.069 0.25 13.41 ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.350 -16.881 -26.064 0.25 13.77 ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.243 -17.494 -25.342 0.25 14.22 ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.914 -17.698 -25.314 0.25 14.33 ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.086 -16.370 -25.557 0.25 13.26 ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.977 -16.198 -25.329 0.25 14.70 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.053 -15.334 -25.176 0.25 12.85 ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.814 -17.578 -24.715 0.25 15.31 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.916 -17.637 -24.735 0.25 13.69 ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.249 -16.120 -26.656 0.25 15.40 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.507 -16.880 -27.391 1.00 13.02 ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.339 -17.854 -28.084 1.00 13.87 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.666 -18.257 -29.392 1.00 14.00 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.760 -17.526 -29.881 1.00 14.21 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.736 -17.313 -28.357 1.00 15.20 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.786 -15.927 -29.525 1.00 16.23 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.071 -19.399 -29.931 0.25 14.40 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.078 -19.396 -29.939 0.25 13.86 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.649 -19.841 -31.283 0.25 15.42 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.624 -19.885 -31.269 0.25 14.48 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.076 -18.795 -32.311 0.25 15.03 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.126 -18.924 -32.359 0.25 14.63 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.115 -18.154 -32.127 0.25 14.56 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.290 -18.481 -32.270 0.25 14.41 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.271 -21.194 -31.625 0.25 16.95 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.133 -21.315 -31.487 0.25 15.03 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.693 -22.329 -30.804 0.25 17.86 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.412 -22.070 -32.592 0.25 15.09 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.327 -23.640 -31.197 0.25 19.37 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -26.968 -23.456 -32.801 0.25 15.18 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -27.034 -24.679 -30.226 0.25 18.62 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.833 -24.274 -31.613 0.25 15.16 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.877 -25.645 -29.911 0.25 18.75 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.850 -24.856 -30.977 0.25 15.27 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.075 -25.679 -30.468 0.25 18.13 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.075 -24.757 -31.454 0.25 16.41 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.525 -26.567 -29.035 0.25 19.73 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.624 -25.558 -29.883 0.25 15.00 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.303 -18.644 -33.377 1.00 15.22 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.679 -17.706 -34.473 1.00 16.83 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -27.978 -18.204 -35.102 1.00 18.24 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.712 -17.360 -35.638 1.00 21.27 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.553 -17.585 -35.496 1.00 20.10 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.203 -18.875 -36.202 1.00 23.81 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.678 -19.989 -35.785 1.00 29.36 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.398 -18.772 -37.166 1.00 27.62 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.291 -19.510 -35.039 1.00 17.35 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.435 -20.143 -35.745 1.00 20.20 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.701 -20.276 -34.879 1.00 17.11 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.604 -20.991 -35.285 1.00 18.07 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -28.988 -21.483 -36.303 1.00 21.20 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.520 -22.312 -35.276 1.00 21.90 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.805 -19.582 -33.736 1.00 16.15 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -32.010 -19.675 -32.880 1.00 17.01 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.223 -19.197 -33.695 1.00 16.45 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.088 -18.265 -34.536 1.00 17.20 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.906 -18.929 -31.527 1.00 16.38 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.897 -19.599 -30.611 1.00 16.30 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.653 -17.448 -31.666 1.00 16.74 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.350 -19.810 -33.398 1.00 18.33 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.690 -19.415 -33.928 1.00 19.99 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.916 -17.925 -33.630 1.00 19.01 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.665 -17.504 -32.493 1.00 19.96 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.735 -20.315 -33.268 1.00 22.92 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.202 -19.923 -33.431 1.00 26.74 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.105 -20.764 -32.534 1.00 31.35 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.706 -21.796 -31.955 1.00 31.20 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.368 -20.350 -32.402 1.00 33.19 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.444 -17.178 -34.601 1.00 17.34 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.732 -15.724 -34.431 1.00 16.26 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.242 -15.486 -34.301 1.00 18.48 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.583 -14.475 -33.662 1.00 17.92 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.198 -14.860 -35.565 1.00 16.89 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.734 -15.088 -35.905 1.00 16.67 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.831 -14.906 -34.705 1.00 18.53 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.445 -15.316 -35.026 1.00 20.22 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.513 -14.585 -35.620 1.00 19.77 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.739 -13.338 -35.990 1.00 21.85 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.344 -15.129 -35.878 1.00 21.42 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.093 -16.339 -34.872 1.00 17.43 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.551 -16.060 -35.012 1.00 18.50 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.356 -16.951 -34.087 1.00 19.89 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.996 -18.136 -33.938 1.00 22.57 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -40.982 -16.211 -36.479 1.00 19.88 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.092 -15.527 -37.501 1.00 20.55 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.004 -14.027 -37.316 1.00 21.05 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.235 -13.343 -38.419 1.00 21.12 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.118 -11.885 -38.179 1.00 21.51 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.429 -16.421 -33.505 1.00 18.82 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.346 -17.205 -32.680 1.00 21.15 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.885 -17.314 -31.246 1.00 21.25 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.900 -16.570 -30.865 1.00 19.71 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.511 -18.226 -30.500 1.00 20.28 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.253 -18.439 -29.063 1.00 23.50 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.195 -19.525 -28.890 1.00 21.62 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.092 -20.465 -29.737 1.00 20.52 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.551 -18.797 -28.336 1.00 27.77 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.541 -17.661 -28.422 1.00 32.76 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.877 -18.180 -27.989 1.00 42.10 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.098 -18.388 -26.798 1.00 52.78 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.729 -18.465 -28.966 1.00 44.98 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.327 -19.327 -27.912 1.00 19.87 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.282 -20.306 -27.558 1.00 19.83 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.796 -20.039 -26.138 1.00 20.22 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.959 -18.911 -25.592 1.00 20.63 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.122 -20.262 -28.554 1.00 19.46 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.482 -18.907 -28.684 1.00 19.43 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.486 -18.517 -27.811 1.00 20.61 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.837 -18.044 -29.708 1.00 19.25 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.893 -17.276 -27.934 1.00 19.61 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.208 -16.830 -29.867 1.00 20.37 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.236 -16.452 -28.978 1.00 20.13 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.216 -21.060 -25.512 0.25 20.57 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.194 -21.068 -25.542 0.25 19.64 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.593 -20.946 -24.171 0.25 21.14 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.561 -21.013 -24.203 0.25 19.64 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.084 -20.757 -24.334 0.25 19.33 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.064 -20.746 -24.359 0.25 18.50 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.510 -21.277 -25.325 0.25 20.10 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.471 -21.211 -25.371 0.25 19.23 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.902 -22.143 -23.324 0.25 23.16 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.802 -22.283 -23.441 0.25 20.36 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.690 -23.330 -24.065 0.25 25.25 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.192 -22.458 -23.216 0.25 20.27 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.480 -20.030 -23.396 1.00 18.16 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -35.019 -19.869 -23.322 1.00 19.15 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.430 -21.094 -22.625 1.00 19.07 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.581 -21.248 -21.414 1.00 20.06 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.659 -18.588 -22.567 1.00 18.45 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.149 -17.285 -23.168 1.00 19.86 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.792 -16.125 -22.242 1.00 20.78 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.586 -17.046 -24.556 1.00 20.48 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.773 -21.995 -23.367 1.00 18.80 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.147 -23.213 -22.810 1.00 18.18 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.947 -23.566 -23.683 1.00 16.07 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.927 -23.232 -24.876 1.00 15.44 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.097 -24.381 -22.779 1.00 18.86 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.465 -24.746 -24.120 1.00 21.78 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -30.991 -24.326 -23.137 1.00 15.88 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.889 -24.828 -23.952 1.00 16.11 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.400 -25.690 -25.117 1.00 16.67 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.816 -25.594 -26.232 1.00 15.78 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -29.012 -25.572 -22.939 1.00 17.64 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.284 -24.813 -21.636 1.00 17.16 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.777 -24.572 -21.705 1.00 17.38 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.489 -26.436 -24.909 1.00 17.21 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.038 -27.291 -26.008 1.00 21.64 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.464 -26.405 -27.185 1.00 20.87 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.319 -26.840 -28.354 1.00 21.31 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.205 -28.154 -25.544 1.00 27.58 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.852 -28.927 -24.291 1.00 36.58 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.325 -28.263 -23.005 1.00 44.48 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.497 -27.559 -22.349 1.00 31.92 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.532 -28.478 -22.651 1.00 53.04 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.935 -25.178 -26.917 1.00 19.28 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.325 -24.225 -27.989 1.00 18.36 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.156 -23.332 -28.435 1.00 17.68 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.368 -22.475 -29.327 1.00 17.96 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.544 -23.395 -27.564 1.00 18.93 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.835 -24.176 -27.541 1.00 21.77 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.944 -25.249 -28.159 1.00 22.38 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.797 -23.687 -26.774 1.00 22.68 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.947 -23.494 -27.888 1.00 16.43 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.766 -22.728 -28.306 1.00 15.52 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.556 -21.450 -27.512 1.00 14.85 ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.885 -20.578 -28.029 1.00 14.77 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -30.011 -21.389 -26.243 1.00 14.86 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.779 -20.182 -25.403 1.00 13.64 ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.084 -20.552 -24.088 1.00 13.12 ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.506 -21.543 -23.452 1.00 14.93 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.110 -19.501 -25.045 1.00 14.23 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.917 -19.022 -26.229 1.00 13.94 ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.817 -19.866 -26.859 1.00 14.38 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.776 -17.723 -26.698 1.00 13.91 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.540 -19.426 -27.950 1.00 15.17 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.562 -17.259 -27.743 1.00 15.12 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.440 -18.115 -28.362 1.00 14.12 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.154 -19.712 -23.644 1.00 12.67 ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.471 -19.847 -22.329 1.00 12.78 ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.626 -18.500 -21.632 1.00 12.28 ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.895 -17.533 -21.988 1.00 12.84 ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -26.004 -20.299 -22.509 1.00 12.78 ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.917 -21.671 -23.115 1.00 13.75 ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.854 -22.873 -22.466 1.00 15.32 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.945 -21.983 -24.531 1.00 14.44 ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.865 -23.912 -23.374 1.00 14.94 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.914 -23.392 -24.644 1.00 15.75 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -25.984 -21.200 -25.688 1.00 14.89 ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.986 -24.038 -25.888 1.00 17.44 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.008 -21.845 -26.905 1.00 15.86 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.011 -23.232 -26.995 1.00 16.14 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.672 -18.390 -20.797 1.00 13.79 ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.165 -17.078 -20.307 1.00 13.79 ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.501 -17.135 -18.813 1.00 12.95 ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.735 -18.203 -18.270 1.00 12.85 ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.397 -16.600 -21.082 1.00 13.86 ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.444 -17.518 -20.823 1.00 14.03 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.113 -16.457 -22.564 1.00 13.83 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.522 -15.956 -18.209 1.00 12.53 ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.150 -15.718 -16.885 1.00 13.53 ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.157 -14.582 -17.060 1.00 14.00 ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.120 -13.848 -18.071 1.00 13.52 ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.139 -15.409 -15.773 1.00 14.49 ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.499 -14.022 -15.914 1.00 15.28 ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.096 -16.518 -15.668 1.00 14.65 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.623 -13.589 -14.749 1.00 14.65 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -32.019 -14.450 -16.083 1.00 14.58 ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.027 -13.373 -16.115 1.00 14.51 ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.450 -12.921 -14.742 1.00 14.17 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.284 -13.625 -13.742 1.00 13.48 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.214 -13.775 -16.946 1.00 16.44 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -35.026 -14.920 -16.449 1.00 19.15 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.887 -14.936 -15.382 1.00 18.65 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.140 -16.185 -17.093 1.00 21.05 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.537 -16.129 -15.334 1.00 22.74 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.128 -16.900 -16.391 1.00 21.18 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.546 -16.750 -18.226 1.00 20.87 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.464 -18.199 -16.736 1.00 22.44 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.949 -17.995 -18.604 1.00 22.66 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.873 -18.713 -17.862 1.00 20.56 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.015 -11.699 -14.740 1.00 15.14 ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.808 -11.165 -13.626 1.00 15.14 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.283 -11.143 -14.032 1.00 14.65 ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.603 -10.684 -15.129 1.00 13.23 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.323 -9.741  -13.330 1.00 15.42 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.174 -8.949  -12.340 1.00 14.94 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.225 -9.631  -10.980 1.00 15.88 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.681 -7.527  -12.204 1.00 16.63 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.179 -11.588 -13.153 1.00 14.93 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.631 -11.603 -13.412 1.00 15.79 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.350 -11.661 -12.066 1.00 18.54 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -38.994 -12.550 -11.243 1.00 17.91 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -38.975 -12.827 -14.266 1.00 20.52 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.423 -13.071 -14.425 1.00 23.09 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.197 -14.064 -13.877 1.00 23.65 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.285 -12.254 -15.210 1.00 24.30 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.487 -13.912 -14.281 1.00 24.52 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.572 -12.816 -15.101 1.00 23.01 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.089 -11.115 -15.981 1.00 24.12 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.666 -12.286 -15.767 1.00 28.02 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.176 -10.576 -16.620 1.00 27.59 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.447 -11.140 -16.499 1.00 28.25 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.244 -10.685 -11.811 1.00 17.08 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.066 -10.689 -10.581 1.00 17.97 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.179 -10.862 -9.376  1.00 19.03 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.506 -11.741 -8.494  1.00 20.97 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.151 -11.757 -10.701 1.00 20.67 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.091 -11.480 -11.859 1.00 21.98 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.375 -12.269 -11.876 1.00 24.69 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.329 -11.904 -12.584 1.00 28.85 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.408 -13.349 -11.126 1.00 21.20 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.138 -10.050 -9.291  1.00 19.48 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.332 -9.940  -8.061  1.00 25.10 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.587 -11.249 -7.765  1.00 25.15 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -37.130 -11.412 -6.616  1.00 29.33 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.278 -9.670  -6.893  1.00 28.01 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.633 -9.016  -5.706  1.00 34.30 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.696 -8.212  -5.901  1.00 37.69 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.118 -9.300  -4.577  1.00 46.61 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.435 -12.148 -8.734  1.00 20.44 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.481 -13.276 -8.552  1.00 22.05 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.557 -13.427 -9.770  1.00 19.78 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.939 -13.057 -10.911 1.00 18.65 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.218 -14.523 -8.151  1.00 26.03 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.937 -15.077 -9.222  1.00 33.79 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.367 -13.953 -9.529  1.00 17.40 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.358 -14.203 -10.588 1.00 16.16 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.334 -15.703 -10.832 1.00 16.36 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.360 -16.479 -9.876  1.00 16.17 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -31.995 -13.671 -10.169 1.00 15.77 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.950 -12.171 -9.944  1.00 16.58 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.179 -11.643 -8.688  1.00 17.19 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.582 -11.293 -10.942 1.00 15.92 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.080 -10.284 -8.430  1.00 17.57 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.524 -9.924  -10.714 1.00 15.57 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.765 -9.419  -9.458  1.00 18.10 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.733 -8.070  -9.236  1.00 18.18 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.308 -16.116 -12.101 0.25 16.28 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.330 -16.100 -12.109 0.25 16.03 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.291 -17.557 -12.475 0.25 16.76 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.336 -17.524 -12.546 0.25 16.34 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.395 -17.796 -13.693 0.25 15.74 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.282 -17.740 -13.643 0.25 15.47 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.327 -16.931 -14.573 0.25 15.29 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.942 -16.783 -14.365 0.25 14.54 ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.698 -18.068 -12.765 0.25 18.35 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.715 -17.937 -13.062 0.25 17.57 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.610 -18.032 -11.545 0.25 20.31 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.837 -17.756 -12.042 0.25 19.49 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.059 -18.319 -11.879 0.25 22.55 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -35.983 -18.909 -11.059 0.25 20.75 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.491 -17.896 -12.969 0.25 24.83 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.597 -20.042 -11.403 0.25 23.48 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.744 -18.971 -11.062 0.25 21.82 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.508 -18.677 -9.961  0.25 26.24 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.741 -18.960 -13.735 1.00 15.42 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -30.980 -19.392 -14.906 1.00 15.10 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.930 -20.122 -15.866 1.00 15.37 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.769 -20.954 -15.433 1.00 16.08 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.792 -20.264 -14.518 1.00 15.05 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.759 -19.842 -17.157 1.00 16.44 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.545 -20.420 -18.256 1.00 15.79 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.206 -21.869 -18.538 1.00 18.17 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.932 -22.201 -19.667 1.00 17.49 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.193 -22.726 -17.536 1.00 19.01 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.174 -24.184 -17.746 1.00 20.55 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.608 -24.662 -17.996 1.00 21.61 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.540 -23.871 -17.814 1.00 23.81 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.539 -24.825 -16.523 1.00 18.72 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.235 -24.379 -15.363 1.00 17.94 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.070 -24.550 -16.390 1.00 19.89 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.796 -25.942 -18.332 1.00 23.56 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.144 -26.514 -18.512 1.00 26.75 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.326 -27.700 -17.562 1.00 27.31 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.701 -28.743 -17.742 1.00 28.69 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.359 -26.927 -19.951 1.00 33.16 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.715 -27.303 -20.131 1.00 36.39 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.108 -27.582 -16.472 1.00 26.84 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.779 -26.347 -16.074 1.00 26.82 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.775 -25.344 -15.485 1.00 23.55 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.622 -25.704 -15.202 1.00 21.73 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.755 -26.809 -14.985 1.00 30.06 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.036 -27.977 -14.345 1.00 30.05 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.304 -28.666 -15.487 1.00 28.63 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.223 -24.118 -15.281 1.00 22.18 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.351 -23.015 -14.818 1.00 22.61 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.822 -23.276 -13.402 1.00 20.85 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.481 -23.948 -12.601 1.00 20.32 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.022 -21.645 -14.922 1.00 27.40 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.073 -21.362 -13.865 1.00 35.31 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.474 -21.558 -14.380 1.00 45.78 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.789 -22.533 -15.072 1.00 47.76 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.339 -20.640 -13.988 1.00 51.92 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.675 -22.685 -13.115 1.00 18.20 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -32.963 -22.823 -11.833 1.00 16.73 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -32.979 -21.519 -11.040 1.00 16.81 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.510 -20.473 -11.544 1.00 16.14 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.539 -23.323 -12.081 1.00 16.64 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.625 -24.549 -12.800 1.00 17.25 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.775 -23.515 -10.805 1.00 17.72 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.416 -21.603 -9.780  1.00 16.11 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.327 -20.497 -8.799  1.00 17.05 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.893 -20.022 -8.582  1.00 15.99 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -30.958 -20.853 -8.294  1.00 18.43 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -33.979 -20.945 -7.482  1.00 19.12 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.350 -21.223 -7.752  1.00 22.93 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.791 -19.931 -6.385  1.00 22.87 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.648 -18.718 -8.684  1.00 13.98 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.334 -18.104 -8.370  1.00 14.95 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.405 -17.518 -6.951  1.00 18.56 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.523 -17.223 -6.462  1.00 21.74 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.940 -17.025 -9.389  1.00 15.25 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.848 -17.573 -10.819 1.00 15.16 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.679 -16.458 -11.812 1.00 16.26 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.723 -18.599 -10.988 1.00 16.13 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.255 -17.415 -6.314  1.00 17.20 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.116 -16.968 -4.905  1.00 18.05 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.292 -15.686 -4.916  1.00 19.93 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.043 -15.737 -4.905  1.00 24.26 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.453 -18.061 -4.065  1.00 19.34 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.244 -19.335 -4.023  1.00 20.13 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -28.932 -20.423 -4.818  1.00 22.18 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.350 -19.680 -3.329  1.00 22.30 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.826 -21.370 -4.609  1.00 25.33 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.680 -20.962 -3.677  1.00 22.14 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -28.946 -14.545 -4.964  1.00 21.99 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.251 -13.235 -5.089  1.00 24.45 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.638 -12.387 -3.860  1.00 24.80 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.807 -12.111 -3.670  1.00 30.05 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.619 -12.566 -6.426  1.00 27.32 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.188 -13.445 -7.612  1.00 25.33 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -27.992 -11.181 -6.489  1.00 30.21 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.427 -12.842 -8.974  1.00 26.34 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.666 -12.007 -3.056  1.00 29.20 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.902 -11.224 -1.813  1.00 30.86 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.901 -9.733  -2.171  1.00 28.33 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.656 -8.974  -1.546  1.00 27.87 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.823 -11.629 -0.799  1.00 36.05 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -26.900 -10.884 0.532   1.00 45.19 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.201 -11.085 1.284   1.00 48.16 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -28.921 -12.059 1.086   1.00 52.52 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.524 -10.141 2.157   1.00 51.45 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.146 -9.345  -3.192  1.00 24.61 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -26.965 -7.919  -3.613  1.00 24.46 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.499 -7.745  -5.035  1.00 24.61 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.879 -8.224  -5.988  1.00 23.10 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.491 -7.503  -3.510  1.00 26.74 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.247 -6.095  -4.038  1.00 25.29 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -24.981 -7.612  -2.080  1.00 28.97 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.725 -7.204  -5.212  1.00 24.08 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.317 -7.067  -6.546  1.00 23.13 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.318 -6.406  -7.470  1.00 22.70 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.811 -5.350  -7.164  1.00 19.66 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.573 -6.208  -6.291  1.00 27.01 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -30.969 -6.613  -4.872  1.00 25.67 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.668 -6.796  -4.146  1.00 24.89 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.932 -7.024  -8.599  1.00 20.19 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.925 -6.422  -9.461  1.00 19.35 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.374 -5.201  -10.273 1.00 17.95 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.488 -5.218  -10.763 1.00 19.39 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.491 -7.563  -10.393 1.00 20.56 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.560 -8.606  -10.296 1.00 21.67 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.302 -8.390  -8.997  1.00 19.35 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.512 -4.181  -10.364 1.00 19.46 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.685 -3.050  -11.314 1.00 19.64 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.924 -3.316  -12.619 1.00 18.17 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.283 -2.739  -13.652 1.00 16.28 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.258 -1.724  -10.709 1.00 23.05 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.362 -1.305  -9.333  1.00 30.15 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.868 -4.137  -12.579 0.25 18.57 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -24.915 -4.192  -12.569 0.25 18.87 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.129 -4.560  -13.802 0.25 19.30 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.086 -4.561  -13.746 0.25 20.03 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.822 -6.058  -13.709 0.25 18.79 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.810 -6.069  -13.699 0.25 19.14 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.553 -6.556  -12.596 0.25 16.77 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.578 -6.599  -12.592 0.25 17.01 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.824 -3.789  -14.029 0.25 20.71 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.786 -3.752  -13.775 0.25 22.22 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -23.007 -2.308  -14.312 0.25 22.24 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -22.991 -2.252  -13.901 0.25 24.45 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -22.939 -1.523  -13.029 0.25 23.37 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.717 -1.529  -14.263 0.25 25.37 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.177 -1.858  -12.125 0.25 23.20 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.688 -2.137  -14.561 0.25 31.49 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.762 -0.488  -12.934 0.25 23.20 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -21.778 -0.212  -14.250 0.25 27.74 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.892 -6.728  -14.861 1.00 17.52 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.697 -8.196  -15.001 1.00 17.18 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.476 -8.388  -15.900 1.00 17.51 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.425 -7.806  -17.016 1.00 16.50 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.942 -8.858  -15.610 1.00 17.41 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.221 -8.657  -14.787 1.00 19.36 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.657 -10.330 -15.899 1.00 16.87 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.287 -9.421  -13.544 1.00 18.52 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.544 -9.247  -15.477 1.00 17.63 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.441 -9.715  -16.347 1.00 17.00 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.779 -11.071 -16.959 1.00 15.48 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.332 -11.940 -16.263 1.00 15.42 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.530 -11.218 -18.270 1.00 15.68 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.771 -12.479 -19.009 1.00 14.77 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.445 -12.966 -19.606 1.00 15.64 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.777 -12.217 -20.298 1.00 15.45 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.816 -12.253 -20.116 1.00 16.13 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.116 -11.716 -19.515 1.00 19.02 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.026 -13.519 -20.931 1.00 16.95 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.169 -11.359 -20.501 1.00 22.45 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.083 -14.190 -19.276 1.00 15.32 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.824 -14.841 -19.717 1.00 15.31 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.175 -16.074 -20.527 1.00 14.44 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.969 -16.898 -20.055 1.00 15.25 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -16.999 -15.280 -18.512 1.00 16.88 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.746 -16.039 -18.875 1.00 17.88 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.736 -15.395 -19.564 1.00 19.65 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.592 -17.377 -18.556 1.00 19.34 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.559 -16.071 -19.872 1.00 22.18 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.425 -18.064 -18.893 1.00 20.74 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.420 -17.402 -19.559 1.00 20.18 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.576 -16.208 -21.714 1.00 14.29 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.788 -17.406 -22.579 1.00 14.35 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.399 -18.004 -22.858 1.00 13.90 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.544 -17.291 -23.335 1.00 16.40 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.499 -17.076 -23.900 1.00 15.54 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.628 -18.316 -24.775 1.00 16.57 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.867 -16.461 -23.609 1.00 17.37 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.225 -19.279 -22.543 1.00 15.39 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.048 -20.082 -22.993 1.00 16.29 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.558 -21.107 -24.011 1.00 15.57 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.222 -22.106 -23.634 1.00 16.02 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.329 -20.683 -21.797 1.00 16.46 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.062 -21.425 -22.180 1.00 20.78 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.947 -21.834 -23.361 1.00 18.82 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.234 -21.612 -21.254 1.00 22.87 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.344 -20.812 -25.292 1.00 16.81 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.913 -21.635 -26.370 1.00 15.70 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.395 -23.079 -26.270 1.00 16.73 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.167 -24.023 -26.240 1.00 18.11 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.622 -21.035 -27.756 1.00 16.43 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.593 -21.579 -28.769 1.00 16.71 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.444 -22.858 -29.267 1.00 17.06 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.726 -20.875 -29.169 1.00 17.18 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.331 -23.428 -30.144 1.00 17.24 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.643 -21.445 -30.030 1.00 15.44 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.447 -22.715 -30.554 1.00 16.63 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.317 -23.341 -31.395 1.00 16.84 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.077 -23.228 -26.201 1.00 18.64 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.460 -24.578 -26.211 1.00 20.00 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.903 -25.362 -24.979 1.00 18.57 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.231 -26.555 -25.133 1.00 20.63 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.943 -24.467 -26.330 1.00 21.85 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.493 -24.299 -27.788 1.00 28.67 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.899 -22.983 -28.384 1.00 31.87 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.231 -22.967 -29.557 1.00 30.17 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.900 -21.967 -27.637 1.00 35.77 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.960 -24.748 -23.793 1.00 17.34 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.327 -25.439 -22.540 1.00 19.57 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.838 -25.709 -22.470 1.00 19.65 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.263 -26.620 -21.732 1.00 19.24 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.867 -24.639 -21.355 1.00 21.19 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.655 -25.060 -23.291 1.00 15.64 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.108 -25.225 -23.211 1.00 15.29 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.682 -24.599 -21.942 1.00 14.86 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.448 -25.296 -21.254 1.00 15.59 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.296 -23.375 -21.639 1.00 15.36 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.656 -22.682 -20.364 1.00 15.35 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.258 -21.315 -20.662 1.00 14.05 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.691 -20.552 -21.477 1.00 15.50 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.427 -22.531 -19.462 1.00 17.08 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.699 -21.565 -18.295 1.00 18.58 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.993 -23.908 -19.002 1.00 17.60 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.365 -20.991 -19.983 1.00 14.47 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.911 -19.609 -19.942 1.00 14.18 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.100 -19.256 -18.459 1.00 13.16 ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.852 -19.967 -17.781 1.00 14.61 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.254 -19.493 -20.692 1.00 14.67 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.697 -18.033 -20.707 1.00 15.63 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.124 -20.053 -22.101 1.00 15.01 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.463 -18.197 -18.002 1.00 14.25 ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.547 -17.788 -16.576 1.00 14.77 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -21.032 -16.347 -16.461 1.00 14.40 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.737 -15.524 -17.312 1.00 15.87 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.187 -17.962 -15.926 1.00 15.75 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.864 -19.348 -15.771 1.00 15.38 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.734 -16.068 -15.366 1.00 13.96 ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.329 -14.753 -15.084 1.00 13.31 ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.805 -14.286 -13.736 1.00 13.38 ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.834 -15.106 -12.782 1.00 14.65 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.868 -14.857 -15.066 1.00 13.45 ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.451 -15.250 -16.395 1.00 13.84 ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.538 -16.595 -16.739 1.00 13.28 ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -24.968 -14.297 -17.266 1.00 14.89 ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -25.023 -16.980 -17.978 1.00 13.38 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.493 -14.695 -18.491 1.00 13.34 ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.524 -16.031 -18.844 1.00 12.77 ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.461 -13.004 -13.661 1.00 14.99 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.835 -12.394 -12.456 1.00 16.49 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.602 -11.129 -12.038 1.00 18.11 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.086 -10.354 -12.861 1.00 17.52 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.353 -12.114 -12.720 1.00 16.96 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.578 -13.370 -13.015 1.00 17.57 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.085 -14.147 -11.981 1.00 19.28 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.366 -13.807 -14.315 1.00 18.00 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.400 -15.323 -12.242 1.00 19.44 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.649 -14.966 -14.586 1.00 19.01 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.129 -15.715 -13.544 1.00 19.28 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.464 -16.906 -13.804 1.00 20.84 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.662 -10.906 -10.729 1.00 17.09 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.359 -9.738  -10.112 1.00 17.34 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.324 -8.621  -9.904  1.00 19.49 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.571 -8.638  -8.922  1.00 20.48 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -23.000 -10.174 -8.801  1.00 18.09 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.807 -9.074  -8.152  1.00 18.24 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.623 -7.900  -8.489  1.00 18.89 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.681 -9.466  -7.258  1.00 19.60 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.247 -7.671  -10.822 1.00 18.47 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.170 -6.647  -10.792 1.00 20.61 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.398 -5.781  -9.533  1.00 21.78 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.406 -5.315  -8.953  1.00 23.08 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.187 -5.824  -12.082 1.00 21.51 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -19.995 -6.666  -13.353 1.00 22.77 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.173 -4.682  -12.007 1.00 22.95 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.941 -7.750  -13.227 1.00 25.89 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.651 -5.556  -9.168  1.00 20.91 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.047 -4.716  -7.990  1.00 21.01 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.517 -5.326  -6.700  1.00 24.79 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.130 -4.561  -5.807  1.00 27.98 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.572 -4.558  -7.918  1.00 20.80 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -24.002 -4.065  -9.182  1.00 20.32 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -24.005 -3.600  -6.831  1.00 25.89 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.455 -6.650  -6.628  1.00 25.00 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -20.953 -7.396  -5.445  1.00 25.61 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.541 -7.947  -5.690  1.00 26.59 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.352 -9.150  -5.523  1.00 28.04 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -21.968 -8.451  -5.091  1.00 23.82 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.607 -9.244  -3.860  1.00 29.23 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.186 -8.601  -2.869  1.00 27.44 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.786 -10.481 -3.905  1.00 29.79 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.595 -7.085  -6.064  1.00 27.04 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.155 -7.423  -6.203  1.00 31.49 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -16.978 -8.601  -7.172  1.00 28.70 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -16.074 -9.394  -6.952  1.00 30.12 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.551 -7.847  -4.850  1.00 36.98 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.785 -6.934  -3.691  1.00 44.96 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.111 -5.734  -3.543  1.00 53.09 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.553 -7.082  -2.589  1.00 49.45 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.498 -5.153  -2.422  1.00 56.91 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.384 -5.964  -1.816  1.00 53.40 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.845 -8.779  -8.169  1.00 25.01 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.612 -9.822  -9.195  1.00 20.98 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -18.016 -11.212 -8.764  1.00 18.54 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.454 -12.138 -9.345  1.00 19.72 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.865 -11.370 -7.743  1.00 19.77 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.238 -12.693 -7.178  1.00 18.67 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.910 -13.539 -8.267  1.00 19.30 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.681 -13.001 -9.083  1.00 18.65 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.102 -12.566 -5.946  1.00 20.13 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.261 -11.771 -6.172  1.00 20.95 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.683 -14.846 -8.268  1.00 18.69 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.346 -15.725 -9.273  1.00 17.48 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.859 -15.780 -9.049  1.00 17.90 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.340 -16.019 -7.903  1.00 16.76 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.739 -17.136 -9.170  1.00 16.80 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.320 -18.202 -10.100 1.00 16.46 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.979 -17.937 -11.555 1.00 16.71 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.769 -19.596 -9.710  1.00 17.24 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.607 -15.655 -10.141 1.00 14.07 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.066 -15.854 -10.155 1.00 15.51 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.375 -17.276 -10.618 1.00 14.96 ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.206 -17.966 -9.997  1.00 15.20 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.737 -14.775 -11.036 1.00 16.07 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.550 -13.375 -10.460 1.00 16.96 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.204 -15.104 -11.250 1.00 15.84 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -25.008 -12.262 -11.385 1.00 17.54 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.816 -17.674 -11.768 1.00 13.60 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.199 -18.977 -12.361 1.00 13.09 ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.161 -19.387 -13.402 1.00 13.75 ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.689 -18.517 -14.165 1.00 14.02 ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.576 -18.929 -13.062 1.00 14.46 ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.109 -20.284 -13.413 1.00 13.63 ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.742 -21.083 -12.468 1.00 13.54 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -25.972 -20.810 -14.686 1.00 13.75 ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.174 -22.358 -12.778 1.00 14.79 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.424 -22.075 -15.011 1.00 15.07 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -27.021 -22.863 -14.059 1.00 14.31 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.420 -24.140 -14.325 1.00 17.56 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.907 -20.699 -13.487 1.00 14.09 ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.061 -21.304 -14.553 1.00 14.74 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.844 -22.406 -15.255 1.00 14.36 ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.230 -23.409 -14.605 1.00 15.21 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.737 -21.854 -13.988 1.00 15.15 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.931 -20.750 -13.599 1.00 14.86 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.967 -22.673 -15.005 1.00 15.70 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.036 -22.246 -16.568 1.00 14.87 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.426 -23.344 -17.485 1.00 13.80 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.124 -24.028 -17.900 1.00 15.22 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.262 -23.389 -18.495 1.00 14.68 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.100 -22.839 -18.755 1.00 15.31 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.465 -22.248 -18.590 1.00 13.36 ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.604 -20.887 -18.322 1.00 12.98 ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.616 -22.982 -18.807 1.00 14.12 ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.862 -20.304 -18.211 1.00 13.95 ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.873 -22.384 -18.728 1.00 13.94 ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -27.987 -21.037 -18.454 1.00 13.15 ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.022 -25.318 -17.615 1.00 15.71 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.875 -26.112 -18.085 1.00 16.77 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.383 -27.274 -18.940 1.00 16.75 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.626 -27.550 -19.027 1.00 18.95 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.055 -26.548 -16.906 1.00 19.40 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.719 -27.528 -16.163 1.00 21.32 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.437 -27.912 -19.626 1.00 18.17 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.770 -28.979 -20.612 1.00 19.91 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.741 -28.437 -21.674 1.00 19.14 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.661 -29.199 -22.118 1.00 20.09 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.466 -30.161 -19.955 1.00 24.26 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.821 -30.648 -18.689 1.00 30.04 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.415 -31.986 -18.293 1.00 40.54 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.490 -31.997 -17.655 1.00 42.74 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -20.840 -33.018 -18.697 1.00 49.78 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.563 -27.175 -22.072 1.00 17.69 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.475 -26.546 -23.057 1.00 16.92 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.226 -27.180 -24.417 1.00 18.94 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -21.037 -27.360 -24.786 1.00 19.49 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.239 -25.054 -23.209 1.00 17.07 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.633 -24.130 -21.692 1.00 17.61 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.290 -27.411 -25.169 1.00 17.21 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.129 -27.900 -26.566 1.00 19.37 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.539 -26.759 -27.506 1.00 18.20 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.710 -26.664 -27.901 1.00 20.49 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.876 -29.235 -26.778 1.00 21.98 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.754 -29.707 -28.222 1.00 23.63 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.360 -30.306 -25.835 1.00 24.09 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.606 -25.859 -27.824 1.00 16.70 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.928 -24.607 -28.542 1.00 17.36 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.488 -24.984 -29.922 1.00 20.82 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.508 -24.426 -30.352 1.00 18.47 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.725 -23.679 -28.560 1.00 17.71 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.299 -23.187 -27.196 1.00 15.40 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.234 -22.703 -26.300 1.00 16.53 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -19.970 -23.212 -26.811 1.00 16.37 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.839 -22.223 -25.062 1.00 15.54 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.572 -22.731 -25.581 1.00 17.39 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.510 -22.244 -24.704 1.00 15.64 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.824 -25.904 -30.613 1.00 18.54 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.273 -26.454 -31.912 1.00 18.35 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.363 -25.383 -33.008 1.00 18.22 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.163 -25.596 -33.975 1.00 19.33 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.563 -27.180 -31.761 1.00 18.49 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.572 -24.326 -32.917 1.00 19.03 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.514 -23.248 -33.917 1.00 19.70 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.917 -21.966 -33.376 1.00 18.28 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.514 -21.904 -32.206 1.00 19.11 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.800 -20.947 -34.233 1.00 16.83 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.342 -19.636 -33.806 1.00 15.61 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.321 -19.101 -32.746 1.00 15.86 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.518 -19.371 -32.808 1.00 16.29 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.350 -18.757 -35.054 1.00 15.99 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.501 -19.726 -36.211 1.00 16.11 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.152 -20.964 -35.662 1.00 16.72 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.765 -18.380 -31.789 1.00 15.80 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.559 -17.732 -30.696 1.00 15.33 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.669 -16.230 -30.933 1.00 15.25 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.719 -15.599 -31.381 1.00 17.02 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.859 -17.979 -29.361 1.00 15.78 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.871 -19.420 -28.845 1.00 15.49 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.026 -19.494 -27.578 1.00 16.16 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.305 -19.904 -28.632 1.00 15.69 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.814 -15.665 -30.510 1.00 14.94 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -24.049 -14.211 -30.527 1.00 14.80 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.445 -13.734 -29.142 1.00 13.60 ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.216 -14.420 -28.479 1.00 14.89 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.097 -13.871 -31.581 1.00 16.20 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.565 -14.267 -32.957 1.00 18.37 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.413 -13.893 -34.111 1.00 21.48 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.466 -12.446 -34.205 1.00 20.06 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.172 -11.806 -35.120 1.00 21.83 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.776 -12.509 -36.055 1.00 19.88 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.197 -10.483 -35.138 1.00 18.93 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -23.978 -12.554 -28.707 1.00 14.75 ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.510 -11.950 -27.472 1.00 13.89 ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -26.031 -11.797 -27.627 1.00 13.47 ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.501 -11.466 -28.706 1.00 14.45 ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.824 -10.586 -27.388 1.00 13.90 ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.535 -10.801 -28.184 1.00 14.99 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.998 -11.661 -29.359 1.00 15.56 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.784 -12.058 -26.547 1.00 13.00 ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.260 -12.083 -26.537 1.00 13.63 ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.775 -11.138 -25.442 1.00 13.49 ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.275 -11.136 -24.311 1.00 12.95 ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.743 -13.514 -26.294 1.00 13.43 ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.232 -13.591 -26.106 1.00 13.24 ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.082 -13.578 -27.197 1.00 13.56 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.793 -13.600 -24.828 1.00 13.62 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.457 -13.641 -27.032 1.00 14.06 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.164 -13.691 -24.665 1.00 13.68 ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -32.994 -13.701 -25.766 1.00 14.29 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.843 -10.394 -25.777 1.00 13.86 ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.439 -9.352  -24.911 1.00 12.96 ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.957 -9.412  -25.015 1.00 14.30 ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.473 -9.488  -26.130 1.00 14.07 ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -29.958 -7.940  -25.298 1.00 12.89 ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.457 -7.808  -25.395 1.00 13.25 ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.819 -8.143  -26.580 1.00 13.51 ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.692 -7.338  -24.323 1.00 14.00 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.432 -8.074  -26.663 1.00 13.86 ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.321 -7.214  -24.437 1.00 14.47 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.697 -7.584  -25.617 1.00 14.22 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.630 -9.240  -23.875 1.00 13.59 ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.091 -8.989  -23.850 1.00 12.88 ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.312 -7.845  -22.857 1.00 13.11 ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -33.995 -8.027  -21.660 1.00 13.95 ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.878 -10.240 -23.477 1.00 14.53 ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.373 -10.061 -23.558 1.00 15.35 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.865 -8.991  -23.857 1.00 15.09 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.096 -11.142 -23.328 1.00 16.63 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.836 -6.697  -23.329 1.00 13.21 ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.098 -5.531  -22.429 1.00 12.69 ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.373 -5.765  -21.609 1.00 14.04 ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.616 -4.968  -20.670 1.00 14.09 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.165 -4.194  -23.192 1.00 14.55 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.874 -3.919  -23.895 1.00 15.14 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.328 -4.136  -24.166 1.00 14.78 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.171 -6.782  -21.955 1.00 14.63 ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.458 -7.044  -21.277 1.00 15.33 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.567 -6.099  -21.691 1.00 15.19 ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.327 -5.050  -22.297 1.00 14.50 ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.791 -6.481  -21.369 1.00 16.00 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -42.005 -5.655  -21.563 1.00 15.91 ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -42.052 -4.597  -20.485 1.00 15.37 ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.281 -4.654  -19.506 1.00 13.80 ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.266 -6.517  -21.590 1.00 15.85 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.361 -7.415  -22.798 1.00 17.98 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.856 -6.944  -24.013 1.00 20.30 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.009 -8.753  -22.709 1.00 19.04 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.945 -7.791  -25.120 1.00 22.14 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.100 -9.586  -23.819 1.00 19.70 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.580 -9.110  -25.008 1.00 18.79 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.956 -3.640  -20.672 1.00 15.09 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.095 -2.535  -19.693 1.00 14.32 ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.596 -2.350  -19.417 1.00 15.62 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.096 -1.209  -19.508 1.00 17.28 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.454 -1.267  -20.215 1.00 16.23 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.440 -0.165  -19.186 1.00 16.54 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.450 -0.417  -17.996 1.00 15.19 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.466 1.089   -19.641 1.00 17.55 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.286 -3.422  -19.088 1.00 16.14 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.716 -3.344  -18.685 1.00 16.48 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.841 -2.545  -17.388 1.00 16.96 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.922 -1.932  -17.138 1.00 15.60 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.307 -4.744  -18.513 1.00 17.32 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.415 -5.556  -19.773 1.00 18.45 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.392 -5.273  -20.710 1.00 22.08 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.559 -6.617  -20.006 1.00 20.72 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.482 -5.982  -21.894 1.00 22.81 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.628 -7.319  -21.204 1.00 22.57 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.589 -7.003  -22.145 1.00 23.16 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.703 -7.728  -23.313 1.00 25.99 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.844 -2.601  -16.507 1.00 16.09 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -45.893 -2.050  -15.123 1.00 16.75 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.596 -0.545  -15.118 1.00 16.33 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -45.778 0.086   -14.044 1.00 16.51 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -44.900 -2.708  -14.204 1.00 17.36 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.551 -2.401  -14.614 1.00 17.31 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -44.999 -0.021  -16.187 1.00 14.71 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.478 1.365   -16.187 1.00 14.56 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.198 1.539   -15.395 1.00 15.76 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.710 2.687   -15.310 1.00 17.11 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.627 0.463   -14.839 1.00 15.58 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.362 0.553   -14.108 1.00 14.95 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.194 -0.119  -14.823 1.00 15.53 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.129 -0.205  -14.154 1.00 17.20 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.379 -0.577  -16.066 1.00 13.75 ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.286 -1.285  -16.768 1.00 13.15 ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.867 -0.600  -18.084 1.00 14.56 ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.318 -1.291  -18.965 1.00 15.68 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.679 -2.735  -17.042 1.00 13.77 ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.478 -3.602  -17.363 1.00 13.66 ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.437 -3.448  -16.739 1.00 14.18 ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.665 -4.533  -18.285 1.00 14.17 ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -38.966 0.721   -18.205 1.00 15.40 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.606 1.406   -19.469 1.00 16.01 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.087 1.538   -19.625 1.00 16.28 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.643 1.777   -20.773 1.00 17.58 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.263 2.791   -19.507 1.00 16.75 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.318 1.440   -18.542 1.00 16.26 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.871 1.765   -18.591 1.00 16.06 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.170 0.854   -19.598 1.00 16.10 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.556 -0.303  -19.799 1.00 15.51 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.221 1.630   -17.245 1.00 16.50 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.084 1.349   -20.240 1.00 15.51 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.331 0.568   -21.225 1.00 15.91 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.420 -0.512  -20.612 1.00 15.39 ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.103 -0.413  -19.413 1.00 15.07 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.449 1.634   -21.902 1.00 16.55 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.249 2.688   -20.839 1.00 17.89 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.583 2.728   -20.107 1.00 17.84 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.024 -1.482  -21.434 1.00 14.69 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.786 -2.273  -21.249 1.00 14.36 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.655 -1.458  -21.894 1.00 15.80 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.833 -0.978  -23.042 1.00 17.07 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -29.972 -3.640  -21.904 1.00 14.76 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -31.015 -4.549  -21.272 1.00 15.10 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.174 -5.857  -22.036 1.00 17.04 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.636 -4.858  -19.827 1.00 16.28 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.509 -1.374  -21.227 1.00 15.70 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.342 -0.637  -21.784 1.00 16.16 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.101 -1.508  -21.714 1.00 15.96 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.812 -2.023  -20.626 1.00 17.03 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.093 0.661   -21.009 1.00 18.35 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.289 1.565   -20.803 1.00 20.96 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.844 2.855   -20.137 1.00 26.05 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.985 3.749   -19.725 1.00 30.84 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.486 4.881   -18.907 1.00 34.27 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.374 -1.596  -22.809 1.00 17.27 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.035 -2.236  -22.809 1.00 17.20 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.070 -1.266  -22.140 1.00 18.85 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.955 -0.114  -22.607 1.00 22.09 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.672 -2.619  -24.239 1.00 17.24 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.429 -3.864  -24.689 1.00 18.51 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.611 -3.943  -26.195 1.00 22.97 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.774 -5.129  -24.132 1.00 17.22 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.461 -1.697  -21.042 1.00 20.71 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.570 -0.841  -20.200 1.00 23.79 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.202 -0.735  -20.845 1.00 25.65 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.705 -1.695  -21.403 1.00 23.90 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.252 -1.456  -18.854 1.00 26.42 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.683 -2.028  -17.940 1.00 27.04 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.544 0.433   -20.744 1.00 31.80 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.204 0.602   -21.278 1.00 37.13 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.229 -0.346  -20.575 1.00 36.71 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.412 -0.612  -19.391 1.00 36.76 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.904 2.093   -21.023 1.00 35.51 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.835 2.489   -19.901 1.00 36.49 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -19.078 1.659   -20.127 1.00 33.72 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.301 -0.873  -21.375 1.00 41.66 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -14.003 -1.486  -20.998 1.00 45.30 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.185 -0.483  -20.185 1.00 48.68 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.446 -0.952  -19.328 1.00 61.03 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.262 -1.856  -22.289 1.00 43.01 ? 192 LEU   B CB  1 
HETATM 1567 N N1  . A1BFX B 2 .   ? -45.617 -6.247  -29.489 0.71 33.75 ? 401 A1BFX B N1  1 
HETATM 1568 N N3  . A1BFX B 2 .   ? -46.138 -4.225  -27.595 0.71 36.55 ? 401 A1BFX B N3  1 
HETATM 1569 C C4  . A1BFX B 2 .   ? -45.737 -6.760  -30.871 0.71 33.49 ? 401 A1BFX B C4  1 
HETATM 1570 C C5  . A1BFX B 2 .   ? -47.096 -7.337  -31.229 0.71 36.07 ? 401 A1BFX B C5  1 
HETATM 1571 C C6  . A1BFX B 2 .   ? -44.558 -7.694  -31.087 0.71 33.70 ? 401 A1BFX B C6  1 
HETATM 1572 C C7  . A1BFX B 2 .   ? -46.556 -6.388  -28.530 0.71 35.07 ? 401 A1BFX B C7  1 
HETATM 1573 C C8  . A1BFX B 2 .   ? -46.547 -5.485  -27.446 0.71 34.63 ? 401 A1BFX B C8  1 
HETATM 1574 C C1  . A1BFX B 2 .   ? -42.885 -7.467  -28.672 0.71 32.57 ? 401 A1BFX B C1  1 
HETATM 1575 C C2  . A1BFX B 2 .   ? -43.168 -6.358  -29.659 0.71 30.99 ? 401 A1BFX B C2  1 
HETATM 1576 C C3  . A1BFX B 2 .   ? -44.365 -5.514  -29.272 0.71 31.41 ? 401 A1BFX B C3  1 
HETATM 1577 C C9  . A1BFX B 2 .   ? -46.965 -5.824  -26.152 0.71 33.94 ? 401 A1BFX B C9  1 
HETATM 1578 N N2  . A1BFX B 2 .   ? -47.020 -4.743  -25.401 0.71 33.07 ? 401 A1BFX B N2  1 
HETATM 1579 O O1  . A1BFX B 2 .   ? -43.339 -6.961  -30.944 0.71 30.55 ? 401 A1BFX B O1  1 
HETATM 1580 O O2  . A1BFX B 2 .   ? -47.434 -7.242  -28.574 0.71 41.28 ? 401 A1BFX B O2  1 
HETATM 1581 S S1  . A1BFX B 2 .   ? -46.540 -3.416  -26.244 0.71 39.40 ? 401 A1BFX B S1  1 
HETATM 1582 C C1  . EDO   C 3 .   ? -50.308 -17.058 -33.287 1.00 48.21 ? 402 EDO   B C1  1 
HETATM 1583 O O1  . EDO   C 3 .   ? -49.085 -16.367 -33.209 1.00 41.92 ? 402 EDO   B O1  1 
HETATM 1584 C C2  . EDO   C 3 .   ? -50.959 -17.202 -31.966 1.00 46.04 ? 402 EDO   B C2  1 
HETATM 1585 O O2  . EDO   C 3 .   ? -51.229 -15.958 -31.376 1.00 48.45 ? 402 EDO   B O2  1 
HETATM 1586 S S   . SO4   D 4 .   ? -40.511 -24.509 -26.335 1.00 42.49 ? 403 SO4   B S   1 
HETATM 1587 O O1  . SO4   D 4 .   ? -39.782 -23.539 -27.090 1.00 28.26 ? 403 SO4   B O1  1 
HETATM 1588 O O2  . SO4   D 4 .   ? -41.470 -25.144 -27.193 1.00 49.40 ? 403 SO4   B O2  1 
HETATM 1589 O O3  . SO4   D 4 .   ? -39.581 -25.488 -25.815 1.00 51.14 ? 403 SO4   B O3  1 
HETATM 1590 O O4  . SO4   D 4 .   ? -41.211 -23.898 -25.224 1.00 42.81 ? 403 SO4   B O4  1 
HETATM 1591 O O   . HOH   E 5 .   ? -42.635 1.494   -22.635 1.00 38.62 ? 501 HOH   B O   1 
HETATM 1592 O O   . HOH   E 5 .   ? -26.915 -28.494 -27.872 1.00 26.05 ? 502 HOH   B O   1 
HETATM 1593 O O   . HOH   E 5 .   ? -22.653 -1.798  -9.787  1.00 31.08 ? 503 HOH   B O   1 
HETATM 1594 O O   . HOH   E 5 .   ? -13.527 -23.570 -31.530 1.00 19.08 ? 504 HOH   B O   1 
HETATM 1595 O O   . HOH   E 5 .   ? -38.613 -15.292 -11.601 1.00 34.49 ? 505 HOH   B O   1 
HETATM 1596 O O   . HOH   E 5 .   ? -35.631 -17.018 -8.312  1.00 44.35 ? 506 HOH   B O   1 
HETATM 1597 O O   . HOH   E 5 .   ? -47.088 -16.914 -31.739 1.00 25.18 ? 507 HOH   B O   1 
HETATM 1598 O O   . HOH   E 5 .   ? -18.650 -21.979 -35.782 1.00 21.15 ? 508 HOH   B O   1 
HETATM 1599 O O   . HOH   E 5 .   ? -29.529 -12.506 -37.764 1.00 26.98 ? 509 HOH   B O   1 
HETATM 1600 O O   . HOH   E 5 .   ? -15.593 -5.430  -13.657 1.00 36.70 ? 510 HOH   B O   1 
HETATM 1601 O O   . HOH   E 5 .   ? -38.392 0.671   -11.838 1.00 34.30 ? 511 HOH   B O   1 
HETATM 1602 O O   . HOH   E 5 .   ? -9.005  -13.562 -25.071 1.00 38.17 ? 512 HOH   B O   1 
HETATM 1603 O O   . HOH   E 5 .   ? -32.922 -18.300 -37.122 1.00 39.76 ? 513 HOH   B O   1 
HETATM 1604 O O   . HOH   E 5 .   ? -38.013 2.805   -22.870 1.00 24.12 ? 514 HOH   B O   1 
HETATM 1605 O O   . HOH   E 5 .   ? -45.219 7.376   -24.636 1.00 38.16 ? 515 HOH   B O   1 
HETATM 1606 O O   . HOH   E 5 .   ? -36.774 -16.276 -39.439 1.00 29.15 ? 516 HOH   B O   1 
HETATM 1607 O O   . HOH   E 5 .   ? -41.067 -8.082  -3.344  1.00 47.75 ? 517 HOH   B O   1 
HETATM 1608 O O   . HOH   E 5 .   ? -19.352 -29.685 -15.606 1.00 29.70 ? 518 HOH   B O   1 
HETATM 1609 O O   . HOH   E 5 .   ? -35.965 -22.445 -19.533 1.00 28.63 ? 519 HOH   B O   1 
HETATM 1610 O O   . HOH   E 5 .   ? -12.744 -21.343 -18.693 1.00 33.12 ? 520 HOH   B O   1 
HETATM 1611 O O   . HOH   E 5 .   ? -46.702 4.118   -34.175 1.00 26.55 ? 521 HOH   B O   1 
HETATM 1612 O O   . HOH   E 5 .   ? -25.974 -22.677 -35.805 1.00 32.03 ? 522 HOH   B O   1 
HETATM 1613 O O   . HOH   E 5 .   ? -24.504 -31.075 -21.967 1.00 36.94 ? 523 HOH   B O   1 
HETATM 1614 O O   . HOH   E 5 .   ? -36.790 -25.950 -23.789 1.00 39.68 ? 524 HOH   B O   1 
HETATM 1615 O O   . HOH   E 5 .   ? -46.970 1.214   -25.480 1.00 38.41 ? 525 HOH   B O   1 
HETATM 1616 O O   . HOH   E 5 .   ? -17.642 -21.298 -12.373 1.00 20.60 ? 526 HOH   B O   1 
HETATM 1617 O O   . HOH   E 5 .   ? -32.917 1.120   -33.572 1.00 21.70 ? 527 HOH   B O   1 
HETATM 1618 O O   . HOH   E 5 .   ? -11.024 -21.213 -25.091 1.00 35.77 ? 528 HOH   B O   1 
HETATM 1619 O O   . HOH   E 5 .   ? -26.577 1.997   -11.112 1.00 34.34 ? 529 HOH   B O   1 
HETATM 1620 O O   . HOH   E 5 .   ? -30.753 1.066   -17.050 1.00 35.17 ? 530 HOH   B O   1 
HETATM 1621 O O   . HOH   E 5 .   ? -26.215 3.446   -35.322 1.00 35.51 ? 531 HOH   B O   1 
HETATM 1622 O O   . HOH   E 5 .   ? -35.878 -19.168 -30.410 1.00 35.90 ? 532 HOH   B O   1 
HETATM 1623 O O   . HOH   E 5 .   ? -16.772 -5.515  -9.383  1.00 35.63 ? 533 HOH   B O   1 
HETATM 1624 O O   . HOH   E 5 .   ? -49.702 -1.639  -19.122 1.00 29.37 ? 534 HOH   B O   1 
HETATM 1625 O O   . HOH   E 5 .   ? -30.806 -6.660  -11.323 1.00 16.84 ? 535 HOH   B O   1 
HETATM 1626 O O   . HOH   E 5 .   ? -17.588 -27.670 -19.647 1.00 19.47 ? 536 HOH   B O   1 
HETATM 1627 O O   . HOH   E 5 .   ? -37.355 -25.436 -11.361 1.00 38.97 ? 537 HOH   B O   1 
HETATM 1628 O O   . HOH   E 5 .   ? -16.192 -19.642 -15.568 1.00 28.39 ? 538 HOH   B O   1 
HETATM 1629 O O   . HOH   E 5 .   ? -43.034 -15.427 -10.082 1.00 25.03 ? 539 HOH   B O   1 
HETATM 1630 O O   . HOH   E 5 .   ? -38.669 -7.636  -10.765 1.00 19.67 ? 540 HOH   B O   1 
HETATM 1631 O O   . HOH   E 5 .   ? -38.433 3.724   -42.152 1.00 32.86 ? 541 HOH   B O   1 
HETATM 1632 O O   . HOH   E 5 .   ? -30.203 -23.951 -33.935 1.00 28.43 ? 542 HOH   B O   1 
HETATM 1633 O O   . HOH   E 5 .   ? -30.867 -20.346 -21.326 1.00 15.80 ? 543 HOH   B O   1 
HETATM 1634 O O   . HOH   E 5 .   ? -13.530 -20.973 -35.230 1.00 36.21 ? 544 HOH   B O   1 
HETATM 1635 O O   . HOH   E 5 .   ? -26.568 -25.744 -16.343 1.00 19.24 ? 545 HOH   B O   1 
HETATM 1636 O O   . HOH   E 5 .   ? -36.531 -22.981 -30.837 1.00 42.28 ? 546 HOH   B O   1 
HETATM 1637 O O   . HOH   E 5 .   ? -19.867 1.812   -30.551 1.00 33.57 ? 547 HOH   B O   1 
HETATM 1638 O O   . HOH   E 5 .   ? -28.411 -21.584 -8.912  1.00 22.05 ? 548 HOH   B O   1 
HETATM 1639 O O   . HOH   E 5 .   ? -25.642 -14.222 -3.130  1.00 32.95 ? 549 HOH   B O   1 
HETATM 1640 O O   . HOH   E 5 .   ? -23.916 1.178   -10.783 1.00 33.48 ? 550 HOH   B O   1 
HETATM 1641 O O   . HOH   E 5 .   ? -40.950 -9.462  -36.854 1.00 32.04 ? 551 HOH   B O   1 
HETATM 1642 O O   . HOH   E 5 .   ? -10.370 -23.543 -21.787 1.00 31.19 ? 552 HOH   B O   1 
HETATM 1643 O O   . HOH   E 5 .   ? -26.778 -17.707 -7.772  1.00 20.42 ? 553 HOH   B O   1 
HETATM 1644 O O   . HOH   E 5 .   ? -19.399 -4.303  -22.010 1.00 19.19 ? 554 HOH   B O   1 
HETATM 1645 O O   . HOH   E 5 .   ? -42.678 -5.679  -12.301 1.00 23.62 ? 555 HOH   B O   1 
HETATM 1646 O O   . HOH   E 5 .   ? -34.175 -21.983 -31.334 1.00 22.49 ? 556 HOH   B O   1 
HETATM 1647 O O   . HOH   E 5 .   ? -18.507 -4.605  -24.692 1.00 20.81 ? 557 HOH   B O   1 
HETATM 1648 O O   . HOH   E 5 .   ? -35.841 -3.639  -10.052 1.00 46.26 ? 558 HOH   B O   1 
HETATM 1649 O O   . HOH   E 5 .   ? -40.715 -14.486 -8.531  1.00 33.21 ? 559 HOH   B O   1 
HETATM 1650 O O   . HOH   E 5 .   ? -42.214 -3.988  -39.367 1.00 22.93 ? 560 HOH   B O   1 
HETATM 1651 O O   . HOH   E 5 .   ? -27.228 -20.355 -6.991  1.00 20.40 ? 561 HOH   B O   1 
HETATM 1652 O O   . HOH   E 5 .   ? -23.339 4.281   -24.642 1.00 27.97 ? 562 HOH   B O   1 
HETATM 1653 O O   . HOH   E 5 .   ? -45.175 -12.241 -26.566 1.00 37.02 ? 563 HOH   B O   1 
HETATM 1654 O O   . HOH   E 5 .   ? -23.207 2.320   -22.992 1.00 31.46 ? 564 HOH   B O   1 
HETATM 1655 O O   . HOH   E 5 .   ? -38.885 -2.407  -21.431 1.00 16.37 ? 565 HOH   B O   1 
HETATM 1656 O O   . HOH   E 5 .   ? -20.999 -16.321 -5.497  1.00 21.66 ? 566 HOH   B O   1 
HETATM 1657 O O   . HOH   E 5 .   ? -41.094 -6.145  -37.995 1.00 33.65 ? 567 HOH   B O   1 
HETATM 1658 O O   . HOH   E 5 .   ? -17.773 -4.469  -5.377  1.00 49.04 ? 568 HOH   B O   1 
HETATM 1659 O O   . HOH   E 5 .   ? -24.291 -4.261  -36.926 1.00 37.98 ? 569 HOH   B O   1 
HETATM 1660 O O   . HOH   E 5 .   ? -36.228 5.672   -16.019 1.00 32.55 ? 570 HOH   B O   1 
HETATM 1661 O O   . HOH   E 5 .   ? -17.892 -19.861 -37.523 1.00 31.17 ? 571 HOH   B O   1 
HETATM 1662 O O   . HOH   E 5 .   ? -40.282 -14.343 -31.405 1.00 15.82 ? 572 HOH   B O   1 
HETATM 1663 O O   . HOH   E 5 .   ? -38.498 3.963   -13.850 1.00 34.91 ? 573 HOH   B O   1 
HETATM 1664 O O   . HOH   E 5 .   ? -14.930 -19.785 -37.494 1.00 29.39 ? 574 HOH   B O   1 
HETATM 1665 O O   . HOH   E 5 .   ? -36.550 -1.000  -22.192 1.00 16.00 ? 575 HOH   B O   1 
HETATM 1666 O O   . HOH   E 5 .   ? -36.244 -1.838  -33.899 1.00 23.73 ? 576 HOH   B O   1 
HETATM 1667 O O   . HOH   E 5 .   ? -9.438  -20.706 -28.786 1.00 43.14 ? 577 HOH   B O   1 
HETATM 1668 O O   . HOH   E 5 .   ? -36.965 0.917   -15.596 1.00 19.41 ? 578 HOH   B O   1 
HETATM 1669 O O   . HOH   E 5 .   ? -35.533 -4.651  -42.193 1.00 25.31 ? 579 HOH   B O   1 
HETATM 1670 O O   . HOH   E 5 .   ? -24.028 -12.324 -6.566  1.00 21.41 ? 580 HOH   B O   1 
HETATM 1671 O O   . HOH   E 5 .   ? -32.315 -4.974  -12.925 1.00 16.50 ? 581 HOH   B O   1 
HETATM 1672 O O   . HOH   E 5 .   ? -25.347 -10.484 -23.576 1.00 15.84 ? 582 HOH   B O   1 
HETATM 1673 O O   . HOH   E 5 .   ? -45.749 -19.642 -31.582 1.00 28.83 ? 583 HOH   B O   1 
HETATM 1674 O O   . HOH   E 5 .   ? -31.579 3.402   -26.897 1.00 27.05 ? 584 HOH   B O   1 
HETATM 1675 O O   . HOH   E 5 .   ? -25.779 -27.028 -23.799 1.00 19.65 ? 585 HOH   B O   1 
HETATM 1676 O O   . HOH   E 5 .   ? -18.227 -17.280 -36.201 1.00 28.58 ? 586 HOH   B O   1 
HETATM 1677 O O   . HOH   E 5 .   ? -34.059 -21.849 -36.531 1.00 41.44 ? 587 HOH   B O   1 
HETATM 1678 O O   . HOH   E 5 .   ? -45.718 -14.624 -27.552 1.00 38.28 ? 588 HOH   B O   1 
HETATM 1679 O O   . HOH   E 5 .   ? -27.844 -27.648 -25.748 1.00 37.90 ? 589 HOH   B O   1 
HETATM 1680 O O   . HOH   E 5 .   ? -33.471 -1.854  -38.366 1.00 28.22 ? 590 HOH   B O   1 
HETATM 1681 O O   . HOH   E 5 .   ? -23.745 -21.038 -38.837 1.00 24.73 ? 591 HOH   B O   1 
HETATM 1682 O O   . HOH   E 5 .   ? -14.506 -16.538 -33.061 1.00 30.66 ? 592 HOH   B O   1 
HETATM 1683 O O   . HOH   E 5 .   ? -41.519 -8.560  -13.335 1.00 22.93 ? 593 HOH   B O   1 
HETATM 1684 O O   . HOH   E 5 .   ? -33.424 -14.853 -6.928  1.00 26.41 ? 594 HOH   B O   1 
HETATM 1685 O O   . HOH   E 5 .   ? -28.856 7.750   -30.137 1.00 35.30 ? 595 HOH   B O   1 
HETATM 1686 O O   . HOH   E 5 .   ? -47.737 0.000   -32.473 0.50 28.41 ? 596 HOH   B O   1 
HETATM 1687 O O   . HOH   E 5 .   ? -17.950 -15.996 -6.194  1.00 26.61 ? 597 HOH   B O   1 
HETATM 1688 O O   . HOH   E 5 .   ? -9.484  -15.793 -26.476 1.00 32.75 ? 598 HOH   B O   1 
HETATM 1689 O O   . HOH   E 5 .   ? -19.153 -29.201 -23.466 1.00 29.39 ? 599 HOH   B O   1 
HETATM 1690 O O   . HOH   E 5 .   ? -24.894 -15.039 -6.797  1.00 19.45 ? 600 HOH   B O   1 
HETATM 1691 O O   . HOH   E 5 .   ? -36.440 -0.110  -42.103 1.00 39.62 ? 601 HOH   B O   1 
HETATM 1692 O O   . HOH   E 5 .   ? -40.804 6.315   -33.209 1.00 29.22 ? 602 HOH   B O   1 
HETATM 1693 O O   . HOH   E 5 .   ? -42.452 -4.929  -43.602 1.00 23.63 ? 603 HOH   B O   1 
HETATM 1694 O O   . HOH   E 5 .   ? -43.420 3.749   -18.703 1.00 24.94 ? 604 HOH   B O   1 
HETATM 1695 O O   . HOH   E 5 .   ? -12.704 -18.586 -34.781 1.00 40.21 ? 605 HOH   B O   1 
HETATM 1696 O O   . HOH   E 5 .   ? -13.200 -6.198  -29.191 1.00 36.65 ? 606 HOH   B O   1 
HETATM 1697 O O   . HOH   E 5 .   ? -17.883 -11.174 -35.533 1.00 29.12 ? 607 HOH   B O   1 
HETATM 1698 O O   . HOH   E 5 .   ? -39.990 -11.652 -22.736 1.00 32.51 ? 608 HOH   B O   1 
HETATM 1699 O O   . HOH   E 5 .   ? -31.058 4.015   -24.403 1.00 27.05 ? 609 HOH   B O   1 
HETATM 1700 O O   . HOH   E 5 .   ? -39.824 2.771   -16.162 1.00 19.59 ? 610 HOH   B O   1 
HETATM 1701 O O   . HOH   E 5 .   ? -24.854 -11.041 -4.172  1.00 27.37 ? 611 HOH   B O   1 
HETATM 1702 O O   . HOH   E 5 .   ? -43.661 -0.459  -24.427 1.00 42.34 ? 612 HOH   B O   1 
HETATM 1703 O O   . HOH   E 5 .   ? -34.281 -7.094  -7.942  1.00 33.00 ? 613 HOH   B O   1 
HETATM 1704 O O   . HOH   E 5 .   ? -40.316 -7.493  -34.801 1.00 26.23 ? 614 HOH   B O   1 
HETATM 1705 O O   . HOH   E 5 .   ? -41.123 -8.715  -19.342 1.00 16.79 ? 615 HOH   B O   1 
HETATM 1706 O O   . HOH   E 5 .   ? -41.166 5.418   -28.538 1.00 30.03 ? 616 HOH   B O   1 
HETATM 1707 O O   . HOH   E 5 .   ? -41.671 -9.766  -43.891 1.00 34.63 ? 617 HOH   B O   1 
HETATM 1708 O O   . HOH   E 5 .   ? -16.096 -14.802 -8.573  1.00 37.55 ? 618 HOH   B O   1 
HETATM 1709 O O   . HOH   E 5 .   ? -34.690 -8.906  -6.070  1.00 42.25 ? 619 HOH   B O   1 
HETATM 1710 O O   . HOH   E 5 .   ? -19.980 2.336   -24.002 1.00 36.79 ? 620 HOH   B O   1 
HETATM 1711 O O   . HOH   E 5 .   ? -25.199 7.004   -28.885 1.00 30.99 ? 621 HOH   B O   1 
HETATM 1712 O O   . HOH   E 5 .   ? -15.908 -12.267 -5.558  1.00 44.93 ? 622 HOH   B O   1 
HETATM 1713 O O   . HOH   E 5 .   ? -52.602 -14.135 -29.086 1.00 50.61 ? 623 HOH   B O   1 
HETATM 1714 O O   . HOH   E 5 .   ? -30.758 -17.406 -42.693 1.00 36.00 ? 624 HOH   B O   1 
HETATM 1715 O O   . HOH   E 5 .   ? -16.099 -7.420  -11.252 1.00 34.50 ? 625 HOH   B O   1 
HETATM 1716 O O   . HOH   E 5 .   ? -32.648 -23.645 -33.174 1.00 36.80 ? 626 HOH   B O   1 
HETATM 1717 O O   . HOH   E 5 .   ? -36.740 -6.514  -8.934  1.00 35.22 ? 627 HOH   B O   1 
HETATM 1718 O O   . HOH   E 5 .   ? -21.709 6.918   -32.182 1.00 34.93 ? 628 HOH   B O   1 
HETATM 1719 O O   . HOH   E 5 .   ? -42.229 -13.175 -41.122 1.00 36.59 ? 629 HOH   B O   1 
HETATM 1720 O O   . HOH   E 5 .   ? -8.408  -23.052 -30.149 1.00 33.72 ? 630 HOH   B O   1 
HETATM 1721 O O   . HOH   E 5 .   ? -26.192 -27.928 -21.303 1.00 44.63 ? 631 HOH   B O   1 
HETATM 1722 O O   . HOH   E 5 .   ? -22.814 3.221   -20.617 1.00 39.08 ? 632 HOH   B O   1 
HETATM 1723 O O   . HOH   E 5 .   ? -40.270 5.072   -22.027 1.00 31.05 ? 633 HOH   B O   1 
HETATM 1724 O O   . HOH   E 5 .   ? -38.666 -16.356 -40.952 1.00 37.37 ? 634 HOH   B O   1 
HETATM 1725 O O   . HOH   E 5 .   ? -36.889 2.133   -43.401 1.00 43.58 ? 635 HOH   B O   1 
HETATM 1726 O O   . HOH   E 5 .   ? -15.924 -22.289 -14.524 1.00 34.17 ? 636 HOH   B O   1 
HETATM 1727 O O   . HOH   E 5 .   ? -28.398 -27.704 -16.783 1.00 28.20 ? 637 HOH   B O   1 
HETATM 1728 O O   . HOH   E 5 .   ? -26.337 -31.203 -23.953 1.00 33.45 ? 638 HOH   B O   1 
HETATM 1729 O O   . HOH   E 5 .   ? -15.940 -27.066 -17.151 1.00 36.20 ? 639 HOH   B O   1 
HETATM 1730 O O   . HOH   E 5 .   ? -42.224 -12.841 -22.430 1.00 30.71 ? 640 HOH   B O   1 
# 
