data_7HNH
# 
_entry.id   7HNH 
# 
_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   7HNH         pdb_00007hnh 10.2210/pdb7hnh/pdb 
WWPDB D_1001407695 ?            ?                   
# 
_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                        7HNH 
_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 1,2-ETHANEDIOL                                                    62.068    2   ?        ? ? ? 
3 non-polymer syn '1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide' 209.245   1   ?        ? ? ? 
4 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'             238.305   1   ?        ? ? ? 
5 non-polymer syn 'SULFATE ION'                                                     96.063    1   ?        ? ? ? 
6 water       nat water                                                             18.015    144 ?        ? ? ? 
# 
_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 1,2-ETHANEDIOL                                                    EDO   
3 '1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide' A1BFW 
4 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'             EPE   
5 'SULFATE ION'                                                     SO4   
6 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 
A1BFW non-polymer         . '1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide' ?                 'C10 H15 N3 O2'  
209.245 
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  
EPE   non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'             HEPES             'C8 H18 N2 O4 S' 
238.305 
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        A1BFW 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFW 
_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 EDO   1   201 202 EDO   EDO B . 
C 3 A1BFW 1   202 302 A1BFW LIG B . 
D 4 EPE   1   203 303 EPE   EPE B . 
E 2 EDO   1   204 305 EDO   EDO B . 
F 5 SO4   1   205 1   SO4   SO4 B . 
G 6 HOH   1   301 11  HOH   HOH B . 
G 6 HOH   2   302 2   HOH   HOH B . 
G 6 HOH   3   303 12  HOH   HOH B . 
G 6 HOH   4   304 29  HOH   HOH B . 
G 6 HOH   5   305 26  HOH   HOH B . 
G 6 HOH   6   306 1   HOH   HOH B . 
G 6 HOH   7   307 99  HOH   HOH B . 
G 6 HOH   8   308 281 HOH   HOH B . 
G 6 HOH   9   309 27  HOH   HOH B . 
G 6 HOH   10  310 33  HOH   HOH B . 
G 6 HOH   11  311 129 HOH   HOH B . 
G 6 HOH   12  312 21  HOH   HOH B . 
G 6 HOH   13  313 16  HOH   HOH B . 
G 6 HOH   14  314 102 HOH   HOH B . 
G 6 HOH   15  315 120 HOH   HOH B . 
G 6 HOH   16  316 40  HOH   HOH B . 
G 6 HOH   17  317 90  HOH   HOH B . 
G 6 HOH   18  318 63  HOH   HOH B . 
G 6 HOH   19  319 116 HOH   HOH B . 
G 6 HOH   20  320 3   HOH   HOH B . 
G 6 HOH   21  321 5   HOH   HOH B . 
G 6 HOH   22  322 166 HOH   HOH B . 
G 6 HOH   23  323 25  HOH   HOH B . 
G 6 HOH   24  324 95  HOH   HOH B . 
G 6 HOH   25  325 18  HOH   HOH B . 
G 6 HOH   26  326 214 HOH   HOH B . 
G 6 HOH   27  327 11  HOH   HOH B . 
G 6 HOH   28  328 100 HOH   HOH B . 
G 6 HOH   29  329 80  HOH   HOH B . 
G 6 HOH   30  330 70  HOH   HOH B . 
G 6 HOH   31  331 51  HOH   HOH B . 
G 6 HOH   32  332 9   HOH   HOH B . 
G 6 HOH   33  333 34  HOH   HOH B . 
G 6 HOH   34  334 10  HOH   HOH B . 
G 6 HOH   35  335 4   HOH   HOH B . 
G 6 HOH   36  336 27  HOH   HOH B . 
G 6 HOH   37  337 36  HOH   HOH B . 
G 6 HOH   38  338 31  HOH   HOH B . 
G 6 HOH   39  339 39  HOH   HOH B . 
G 6 HOH   40  340 211 HOH   HOH B . 
G 6 HOH   41  341 267 HOH   HOH B . 
G 6 HOH   42  342 68  HOH   HOH B . 
G 6 HOH   43  343 16  HOH   HOH B . 
G 6 HOH   44  344 184 HOH   HOH B . 
G 6 HOH   45  345 89  HOH   HOH B . 
G 6 HOH   46  346 22  HOH   HOH B . 
G 6 HOH   47  347 66  HOH   HOH B . 
G 6 HOH   48  348 29  HOH   HOH B . 
G 6 HOH   49  349 3   HOH   HOH B . 
G 6 HOH   50  350 85  HOH   HOH B . 
G 6 HOH   51  351 50  HOH   HOH B . 
G 6 HOH   52  352 7   HOH   HOH B . 
G 6 HOH   53  353 58  HOH   HOH B . 
G 6 HOH   54  354 2   HOH   HOH B . 
G 6 HOH   55  355 19  HOH   HOH B . 
G 6 HOH   56  356 20  HOH   HOH B . 
G 6 HOH   57  357 62  HOH   HOH B . 
G 6 HOH   58  358 55  HOH   HOH B . 
G 6 HOH   59  359 72  HOH   HOH B . 
G 6 HOH   60  360 86  HOH   HOH B . 
G 6 HOH   61  361 157 HOH   HOH B . 
G 6 HOH   62  362 26  HOH   HOH B . 
G 6 HOH   63  363 47  HOH   HOH B . 
G 6 HOH   64  364 10  HOH   HOH B . 
G 6 HOH   65  365 59  HOH   HOH B . 
G 6 HOH   66  366 172 HOH   HOH B . 
G 6 HOH   67  367 81  HOH   HOH B . 
G 6 HOH   68  368 32  HOH   HOH B . 
G 6 HOH   69  369 76  HOH   HOH B . 
G 6 HOH   70  370 6   HOH   HOH B . 
G 6 HOH   71  371 15  HOH   HOH B . 
G 6 HOH   72  372 71  HOH   HOH B . 
G 6 HOH   73  373 93  HOH   HOH B . 
G 6 HOH   74  374 43  HOH   HOH B . 
G 6 HOH   75  375 126 HOH   HOH B . 
G 6 HOH   76  376 264 HOH   HOH B . 
G 6 HOH   77  377 156 HOH   HOH B . 
G 6 HOH   78  378 1   HOH   HOH B . 
G 6 HOH   79  379 64  HOH   HOH B . 
G 6 HOH   80  380 73  HOH   HOH B . 
G 6 HOH   81  381 197 HOH   HOH B . 
G 6 HOH   82  382 137 HOH   HOH B . 
G 6 HOH   83  383 61  HOH   HOH B . 
G 6 HOH   84  384 4   HOH   HOH B . 
G 6 HOH   85  385 304 HOH   HOH B . 
G 6 HOH   86  386 30  HOH   HOH B . 
G 6 HOH   87  387 60  HOH   HOH B . 
G 6 HOH   88  388 14  HOH   HOH B . 
G 6 HOH   89  389 24  HOH   HOH B . 
G 6 HOH   90  390 33  HOH   HOH B . 
G 6 HOH   91  391 8   HOH   HOH B . 
G 6 HOH   92  392 32  HOH   HOH B . 
G 6 HOH   93  393 48  HOH   HOH B . 
G 6 HOH   94  394 154 HOH   HOH B . 
G 6 HOH   95  395 46  HOH   HOH B . 
G 6 HOH   96  396 97  HOH   HOH B . 
G 6 HOH   97  397 303 HOH   HOH B . 
G 6 HOH   98  398 17  HOH   HOH B . 
G 6 HOH   99  399 42  HOH   HOH B . 
G 6 HOH   100 400 5   HOH   HOH B . 
G 6 HOH   101 401 125 HOH   HOH B . 
G 6 HOH   102 402 23  HOH   HOH B . 
G 6 HOH   103 403 45  HOH   HOH B . 
G 6 HOH   104 404 13  HOH   HOH B . 
G 6 HOH   105 405 12  HOH   HOH B . 
G 6 HOH   106 406 25  HOH   HOH B . 
G 6 HOH   107 407 56  HOH   HOH B . 
G 6 HOH   108 408 49  HOH   HOH B . 
G 6 HOH   109 409 22  HOH   HOH B . 
G 6 HOH   110 410 7   HOH   HOH B . 
G 6 HOH   111 411 8   HOH   HOH B . 
G 6 HOH   112 412 20  HOH   HOH B . 
G 6 HOH   113 413 41  HOH   HOH B . 
G 6 HOH   114 414 57  HOH   HOH B . 
G 6 HOH   115 415 15  HOH   HOH B . 
G 6 HOH   116 416 54  HOH   HOH B . 
G 6 HOH   117 417 31  HOH   HOH B . 
G 6 HOH   118 418 140 HOH   HOH B . 
G 6 HOH   119 419 18  HOH   HOH B . 
G 6 HOH   120 420 53  HOH   HOH B . 
G 6 HOH   121 421 38  HOH   HOH B . 
G 6 HOH   122 422 112 HOH   HOH B . 
G 6 HOH   123 423 103 HOH   HOH B . 
G 6 HOH   124 424 257 HOH   HOH B . 
G 6 HOH   125 425 69  HOH   HOH B . 
G 6 HOH   126 426 44  HOH   HOH B . 
G 6 HOH   127 427 19  HOH   HOH B . 
G 6 HOH   128 428 30  HOH   HOH B . 
G 6 HOH   129 429 266 HOH   HOH B . 
G 6 HOH   130 430 263 HOH   HOH B . 
G 6 HOH   131 431 114 HOH   HOH B . 
G 6 HOH   132 432 115 HOH   HOH B . 
G 6 HOH   133 433 133 HOH   HOH B . 
G 6 HOH   134 434 13  HOH   HOH B . 
G 6 HOH   135 435 21  HOH   HOH B . 
G 6 HOH   136 436 23  HOH   HOH B . 
G 6 HOH   137 437 98  HOH   HOH B . 
G 6 HOH   138 438 104 HOH   HOH B . 
G 6 HOH   139 439 205 HOH   HOH B . 
G 6 HOH   140 440 127 HOH   HOH B . 
G 6 HOH   141 441 259 HOH   HOH B . 
G 6 HOH   142 442 14  HOH   HOH B . 
G 6 HOH   143 443 131 HOH   HOH B . 
G 6 HOH   144 444 270 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     0.7.7    23/04/21        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           7HNH 
_cell.length_a           95.555 
_cell.length_b           95.555 
_cell.length_c           45.799 
_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                         7HNH 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                79 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HNH 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.18 
_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   2024-07-03 
_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                     7HNH 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.540 
_reflns.d_resolution_high            1.340 
_reflns.number_obs                   46437 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.900 
_reflns.pdbx_Rmerge_I_obs            0.094 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        14.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.800 
_reflns.pdbx_Rrim_I_all              0.098 
_reflns.pdbx_Rpim_I_all              0.027 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     547085 
_reflns.pdbx_scaling_rejects         0 
_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 1.340 1.360  ? 11812 2217 ? 1.759 ? ? ? 5.300  ? 0.500  ? ? ? ? ? ? 98.800 1.959 0.839 0.319 
1 2 7.340 67.540 ? 3724  308  ? 0.050 ? ? ? 12.100 ? 83.900 ? ? ? ? ? ? 99.900 0.053 0.017 0.979 
# 
_refine.entry_id                                 7HNH 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3400 
_refine.ls_d_res_low                             67.5700 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.8500 
_refine.ls_number_reflns_obs                     44189 
_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                          0.1765 
_refine.ls_R_factor_R_work                       0.1756 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1935 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2234 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               17.7510 
_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]                            -0.4000 
_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               0.9700 
_refine.correlation_coeff_Fo_to_Fc_free          0.9660 
_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                       0.0560 
_refine.pdbx_overall_ESU_R_Free                  0.0560 
_refine.overall_SU_ML                            0.0480 
_refine.overall_SU_B                             1.2910 
_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                                79.360 
_refine.B_iso_min                                9.270 
_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                       1.3400 
_refine_hist.d_res_low                        67.5700 
_refine_hist.pdbx_number_atoms_ligand         43 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1680 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           35.98 
_refine_hist.pdbx_B_iso_mean_solvent          28.49 
_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       2085 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1666 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2593 1.817  1.644  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3856 1.496  1.582  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.124  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 112  28.835 21.250 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  11.850 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.208 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         222  0.361  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2288 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     504  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            971  1.431  1.555  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.422  1.545  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.272  2.319  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3400 
_refine_ls_shell.d_res_low                        1.3750 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               98.6400 
_refine_ls_shell.number_reflns_R_work             3205 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3450 
_refine_ls_shell.R_factor_R_free                  0.3830 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             142 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3347 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNH 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z2643472210' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNH 
_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 2 ? 
F N N 5 ? 
G N N 6 ? 
# 
_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              7HNH 
_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 7HNH MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNH HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNH HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNH HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNH HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNH HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNH HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNH 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,F,G 
# 
_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 ARG A 15 ? ALA A 18 ? ARG B 21  ALA B 24  5 ? 4 
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       -0.77 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
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 
AA2 6 7 ? 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 13  ? ASP A 14  ? LEU B 19  ASP B 20  
AA1 2 MET A 52  ? GLY A 55  ? MET B 58  GLY B 61  
AA1 3 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA1 4 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA1 5 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA1 6 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA1 7 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
AA2 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA2 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA2 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA2 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA2 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA2 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA2 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
# 
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 ASP A 14  ? N ASP B 20  O LEU A 54  ? O LEU B 60  
AA1 2 3 N GLY A 55  ? N GLY B 61  O PRO A 165 ? O PRO B 171 
AA1 3 4 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA1 4 5 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA1 5 6 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA1 6 7 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
AA2 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA2 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA2 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA2 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA2 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA2 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
# 
_pdbx_entry_details.entry_id                   7HNH 
_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_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE B ARG 38 ? ? CZ B ARG 38 ? ? NH2 B ARG 38 ? ? 117.27 120.30 -3.03 0.50 N 
2 1 CG B ARG 64 ? ? CD B ARG 64 ? ? NE  B ARG 64 ? ? 127.09 111.80 15.29 2.10 N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -101.53 
_pdbx_validate_torsion.psi             53.26 
# 
_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     431 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   G 
_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 
A1BFW N1   N Y N 1   
A1BFW N3   N N N 2   
A1BFW C4   C Y N 3   
A1BFW C5   C N N 4   
A1BFW C6   C N N 5   
A1BFW C7   C N R 6   
A1BFW C8   C N N 7   
A1BFW C10  C N N 8   
A1BFW C1   C N N 9   
A1BFW C2   C Y N 10  
A1BFW C3   C Y N 11  
A1BFW C9   C N N 12  
A1BFW N2   N Y N 13  
A1BFW O1   O N N 14  
A1BFW O2   O N N 15  
A1BFW H6   H N N 16  
A1BFW H8   H N N 17  
A1BFW H7   H N N 18  
A1BFW H9   H N N 19  
A1BFW H10  H N N 20  
A1BFW H11  H N N 21  
A1BFW H14  H N N 22  
A1BFW H15  H N N 23  
A1BFW H2   H N N 24  
A1BFW H3   H N N 25  
A1BFW H1   H N N 26  
A1BFW H4   H N N 27  
A1BFW H5   H N N 28  
A1BFW H12  H N N 29  
A1BFW H13  H N N 30  
ALA   N    N N N 31  
ALA   CA   C N S 32  
ALA   C    C N N 33  
ALA   O    O N N 34  
ALA   CB   C N N 35  
ALA   OXT  O N N 36  
ALA   H    H N N 37  
ALA   H2   H N N 38  
ALA   HA   H N N 39  
ALA   HB1  H N N 40  
ALA   HB2  H N N 41  
ALA   HB3  H N N 42  
ALA   HXT  H N N 43  
ARG   N    N N N 44  
ARG   CA   C N S 45  
ARG   C    C N N 46  
ARG   O    O N N 47  
ARG   CB   C N N 48  
ARG   CG   C N N 49  
ARG   CD   C N N 50  
ARG   NE   N N N 51  
ARG   CZ   C N N 52  
ARG   NH1  N N N 53  
ARG   NH2  N N N 54  
ARG   OXT  O N N 55  
ARG   H    H N N 56  
ARG   H2   H N N 57  
ARG   HA   H N N 58  
ARG   HB2  H N N 59  
ARG   HB3  H N N 60  
ARG   HG2  H N N 61  
ARG   HG3  H N N 62  
ARG   HD2  H N N 63  
ARG   HD3  H N N 64  
ARG   HE   H N N 65  
ARG   HH11 H N N 66  
ARG   HH12 H N N 67  
ARG   HH21 H N N 68  
ARG   HH22 H N N 69  
ARG   HXT  H N N 70  
ASN   N    N N N 71  
ASN   CA   C N S 72  
ASN   C    C N N 73  
ASN   O    O N N 74  
ASN   CB   C N N 75  
ASN   CG   C N N 76  
ASN   OD1  O N N 77  
ASN   ND2  N N N 78  
ASN   OXT  O N N 79  
ASN   H    H N N 80  
ASN   H2   H N N 81  
ASN   HA   H N N 82  
ASN   HB2  H N N 83  
ASN   HB3  H N N 84  
ASN   HD21 H N N 85  
ASN   HD22 H N N 86  
ASN   HXT  H N N 87  
ASP   N    N N N 88  
ASP   CA   C N S 89  
ASP   C    C N N 90  
ASP   O    O N N 91  
ASP   CB   C N N 92  
ASP   CG   C N N 93  
ASP   OD1  O N N 94  
ASP   OD2  O N N 95  
ASP   OXT  O N N 96  
ASP   H    H N N 97  
ASP   H2   H N N 98  
ASP   HA   H N N 99  
ASP   HB2  H N N 100 
ASP   HB3  H N N 101 
ASP   HD2  H N N 102 
ASP   HXT  H N N 103 
CYS   N    N N N 104 
CYS   CA   C N R 105 
CYS   C    C N N 106 
CYS   O    O N N 107 
CYS   CB   C N N 108 
CYS   SG   S N N 109 
CYS   OXT  O N N 110 
CYS   H    H N N 111 
CYS   H2   H N N 112 
CYS   HA   H N N 113 
CYS   HB2  H N N 114 
CYS   HB3  H N N 115 
CYS   HG   H N N 116 
CYS   HXT  H N N 117 
EDO   C1   C N N 118 
EDO   O1   O N N 119 
EDO   C2   C N N 120 
EDO   O2   O N N 121 
EDO   H11  H N N 122 
EDO   H12  H N N 123 
EDO   HO1  H N N 124 
EDO   H21  H N N 125 
EDO   H22  H N N 126 
EDO   HO2  H N N 127 
EPE   N1   N N N 128 
EPE   C2   C N N 129 
EPE   C3   C N N 130 
EPE   N4   N N N 131 
EPE   C5   C N N 132 
EPE   C6   C N N 133 
EPE   C7   C N N 134 
EPE   C8   C N N 135 
EPE   O8   O N N 136 
EPE   C9   C N N 137 
EPE   C10  C N N 138 
EPE   S    S N N 139 
EPE   O1S  O N N 140 
EPE   O2S  O N N 141 
EPE   O3S  O N N 142 
EPE   H21  H N N 143 
EPE   H22  H N N 144 
EPE   H31  H N N 145 
EPE   H32  H N N 146 
EPE   H51  H N N 147 
EPE   H52  H N N 148 
EPE   H61  H N N 149 
EPE   H62  H N N 150 
EPE   H71  H N N 151 
EPE   H72  H N N 152 
EPE   H81  H N N 153 
EPE   H82  H N N 154 
EPE   HO8  H N N 155 
EPE   H91  H N N 156 
EPE   H92  H N N 157 
EPE   H101 H N N 158 
EPE   H102 H N N 159 
EPE   HOS3 H N N 160 
GLN   N    N N N 161 
GLN   CA   C N S 162 
GLN   C    C N N 163 
GLN   O    O N N 164 
GLN   CB   C N N 165 
GLN   CG   C N N 166 
GLN   CD   C N N 167 
GLN   OE1  O N N 168 
GLN   NE2  N N N 169 
GLN   OXT  O N N 170 
GLN   H    H N N 171 
GLN   H2   H N N 172 
GLN   HA   H N N 173 
GLN   HB2  H N N 174 
GLN   HB3  H N N 175 
GLN   HG2  H N N 176 
GLN   HG3  H N N 177 
GLN   HE21 H N N 178 
GLN   HE22 H N N 179 
GLN   HXT  H N N 180 
GLU   N    N N N 181 
GLU   CA   C N S 182 
GLU   C    C N N 183 
GLU   O    O N N 184 
GLU   CB   C N N 185 
GLU   CG   C N N 186 
GLU   CD   C N N 187 
GLU   OE1  O N N 188 
GLU   OE2  O N N 189 
GLU   OXT  O N N 190 
GLU   H    H N N 191 
GLU   H2   H N N 192 
GLU   HA   H N N 193 
GLU   HB2  H N N 194 
GLU   HB3  H N N 195 
GLU   HG2  H N N 196 
GLU   HG3  H N N 197 
GLU   HE2  H N N 198 
GLU   HXT  H N N 199 
GLY   N    N N N 200 
GLY   CA   C N N 201 
GLY   C    C N N 202 
GLY   O    O N N 203 
GLY   OXT  O N N 204 
GLY   H    H N N 205 
GLY   H2   H N N 206 
GLY   HA2  H N N 207 
GLY   HA3  H N N 208 
GLY   HXT  H N N 209 
HIS   N    N N N 210 
HIS   CA   C N S 211 
HIS   C    C N N 212 
HIS   O    O N N 213 
HIS   CB   C N N 214 
HIS   CG   C Y N 215 
HIS   ND1  N Y N 216 
HIS   CD2  C Y N 217 
HIS   CE1  C Y N 218 
HIS   NE2  N Y N 219 
HIS   OXT  O N N 220 
HIS   H    H N N 221 
HIS   H2   H N N 222 
HIS   HA   H N N 223 
HIS   HB2  H N N 224 
HIS   HB3  H N N 225 
HIS   HD1  H N N 226 
HIS   HD2  H N N 227 
HIS   HE1  H N N 228 
HIS   HE2  H N N 229 
HIS   HXT  H N N 230 
HOH   O    O N N 231 
HOH   H1   H N N 232 
HOH   H2   H N N 233 
ILE   N    N N N 234 
ILE   CA   C N S 235 
ILE   C    C N N 236 
ILE   O    O N N 237 
ILE   CB   C N S 238 
ILE   CG1  C N N 239 
ILE   CG2  C N N 240 
ILE   CD1  C N N 241 
ILE   OXT  O N N 242 
ILE   H    H N N 243 
ILE   H2   H N N 244 
ILE   HA   H N N 245 
ILE   HB   H N N 246 
ILE   HG12 H N N 247 
ILE   HG13 H N N 248 
ILE   HG21 H N N 249 
ILE   HG22 H N N 250 
ILE   HG23 H N N 251 
ILE   HD11 H N N 252 
ILE   HD12 H N N 253 
ILE   HD13 H N N 254 
ILE   HXT  H N N 255 
LEU   N    N N N 256 
LEU   CA   C N S 257 
LEU   C    C N N 258 
LEU   O    O N N 259 
LEU   CB   C N N 260 
LEU   CG   C N N 261 
LEU   CD1  C N N 262 
LEU   CD2  C N N 263 
LEU   OXT  O N N 264 
LEU   H    H N N 265 
LEU   H2   H N N 266 
LEU   HA   H N N 267 
LEU   HB2  H N N 268 
LEU   HB3  H N N 269 
LEU   HG   H N N 270 
LEU   HD11 H N N 271 
LEU   HD12 H N N 272 
LEU   HD13 H N N 273 
LEU   HD21 H N N 274 
LEU   HD22 H N N 275 
LEU   HD23 H N N 276 
LEU   HXT  H N N 277 
LYS   N    N N N 278 
LYS   CA   C N S 279 
LYS   C    C N N 280 
LYS   O    O N N 281 
LYS   CB   C N N 282 
LYS   CG   C N N 283 
LYS   CD   C N N 284 
LYS   CE   C N N 285 
LYS   NZ   N N N 286 
LYS   OXT  O N N 287 
LYS   H    H N N 288 
LYS   H2   H N N 289 
LYS   HA   H N N 290 
LYS   HB2  H N N 291 
LYS   HB3  H N N 292 
LYS   HG2  H N N 293 
LYS   HG3  H N N 294 
LYS   HD2  H N N 295 
LYS   HD3  H N N 296 
LYS   HE2  H N N 297 
LYS   HE3  H N N 298 
LYS   HZ1  H N N 299 
LYS   HZ2  H N N 300 
LYS   HZ3  H N N 301 
LYS   HXT  H N N 302 
MET   N    N N N 303 
MET   CA   C N S 304 
MET   C    C N N 305 
MET   O    O N N 306 
MET   CB   C N N 307 
MET   CG   C N N 308 
MET   SD   S N N 309 
MET   CE   C N N 310 
MET   OXT  O N N 311 
MET   H    H N N 312 
MET   H2   H N N 313 
MET   HA   H N N 314 
MET   HB2  H N N 315 
MET   HB3  H N N 316 
MET   HG2  H N N 317 
MET   HG3  H N N 318 
MET   HE1  H N N 319 
MET   HE2  H N N 320 
MET   HE3  H N N 321 
MET   HXT  H N N 322 
PHE   N    N N N 323 
PHE   CA   C N S 324 
PHE   C    C N N 325 
PHE   O    O N N 326 
PHE   CB   C N N 327 
PHE   CG   C Y N 328 
PHE   CD1  C Y N 329 
PHE   CD2  C Y N 330 
PHE   CE1  C Y N 331 
PHE   CE2  C Y N 332 
PHE   CZ   C Y N 333 
PHE   OXT  O N N 334 
PHE   H    H N N 335 
PHE   H2   H N N 336 
PHE   HA   H N N 337 
PHE   HB2  H N N 338 
PHE   HB3  H N N 339 
PHE   HD1  H N N 340 
PHE   HD2  H N N 341 
PHE   HE1  H N N 342 
PHE   HE2  H N N 343 
PHE   HZ   H N N 344 
PHE   HXT  H N N 345 
PRO   N    N N N 346 
PRO   CA   C N S 347 
PRO   C    C N N 348 
PRO   O    O N N 349 
PRO   CB   C N N 350 
PRO   CG   C N N 351 
PRO   CD   C N N 352 
PRO   OXT  O N N 353 
PRO   H    H N N 354 
PRO   HA   H N N 355 
PRO   HB2  H N N 356 
PRO   HB3  H N N 357 
PRO   HG2  H N N 358 
PRO   HG3  H N N 359 
PRO   HD2  H N N 360 
PRO   HD3  H N N 361 
PRO   HXT  H N N 362 
SER   N    N N N 363 
SER   CA   C N S 364 
SER   C    C N N 365 
SER   O    O N N 366 
SER   CB   C N N 367 
SER   OG   O N N 368 
SER   OXT  O N N 369 
SER   H    H N N 370 
SER   H2   H N N 371 
SER   HA   H N N 372 
SER   HB2  H N N 373 
SER   HB3  H N N 374 
SER   HG   H N N 375 
SER   HXT  H N N 376 
SO4   S    S N N 377 
SO4   O1   O N N 378 
SO4   O2   O N N 379 
SO4   O3   O N N 380 
SO4   O4   O N N 381 
THR   N    N N N 382 
THR   CA   C N S 383 
THR   C    C N N 384 
THR   O    O N N 385 
THR   CB   C N R 386 
THR   OG1  O N N 387 
THR   CG2  C N N 388 
THR   OXT  O N N 389 
THR   H    H N N 390 
THR   H2   H N N 391 
THR   HA   H N N 392 
THR   HB   H N N 393 
THR   HG1  H N N 394 
THR   HG21 H N N 395 
THR   HG22 H N N 396 
THR   HG23 H N N 397 
THR   HXT  H N N 398 
TRP   N    N N N 399 
TRP   CA   C N S 400 
TRP   C    C N N 401 
TRP   O    O N N 402 
TRP   CB   C N N 403 
TRP   CG   C Y N 404 
TRP   CD1  C Y N 405 
TRP   CD2  C Y N 406 
TRP   NE1  N Y N 407 
TRP   CE2  C Y N 408 
TRP   CE3  C Y N 409 
TRP   CZ2  C Y N 410 
TRP   CZ3  C Y N 411 
TRP   CH2  C Y N 412 
TRP   OXT  O N N 413 
TRP   H    H N N 414 
TRP   H2   H N N 415 
TRP   HA   H N N 416 
TRP   HB2  H N N 417 
TRP   HB3  H N N 418 
TRP   HD1  H N N 419 
TRP   HE1  H N N 420 
TRP   HE3  H N N 421 
TRP   HZ2  H N N 422 
TRP   HZ3  H N N 423 
TRP   HH2  H N N 424 
TRP   HXT  H N N 425 
TYR   N    N N N 426 
TYR   CA   C N S 427 
TYR   C    C N N 428 
TYR   O    O N N 429 
TYR   CB   C N N 430 
TYR   CG   C Y N 431 
TYR   CD1  C Y N 432 
TYR   CD2  C Y N 433 
TYR   CE1  C Y N 434 
TYR   CE2  C Y N 435 
TYR   CZ   C Y N 436 
TYR   OH   O N N 437 
TYR   OXT  O N N 438 
TYR   H    H N N 439 
TYR   H2   H N N 440 
TYR   HA   H N N 441 
TYR   HB2  H N N 442 
TYR   HB3  H N N 443 
TYR   HD1  H N N 444 
TYR   HD2  H N N 445 
TYR   HE1  H N N 446 
TYR   HE2  H N N 447 
TYR   HH   H N N 448 
TYR   HXT  H N N 449 
VAL   N    N N N 450 
VAL   CA   C N S 451 
VAL   C    C N N 452 
VAL   O    O N N 453 
VAL   CB   C N N 454 
VAL   CG1  C N N 455 
VAL   CG2  C N N 456 
VAL   OXT  O N N 457 
VAL   H    H N N 458 
VAL   H2   H N N 459 
VAL   HA   H N N 460 
VAL   HB   H N N 461 
VAL   HG11 H N N 462 
VAL   HG12 H N N 463 
VAL   HG13 H N N 464 
VAL   HG21 H N N 465 
VAL   HG22 H N N 466 
VAL   HG23 H N N 467 
VAL   HXT  H N N 468 
# 
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 
A1BFW C1  N1   sing N N 1   
A1BFW N1  C2   sing Y N 2   
A1BFW C2  C3   doub Y N 3   
A1BFW C3  C4   sing Y N 4   
A1BFW C4  N2   doub Y N 5   
A1BFW C4  C5   sing N N 6   
A1BFW C5  O1   doub N N 7   
A1BFW C5  N3   sing N N 8   
A1BFW N3  C6   sing N N 9   
A1BFW C6  C7   sing N N 10  
A1BFW C7  C8   sing N N 11  
A1BFW C8  C9   sing N N 12  
A1BFW C9  C10  sing N N 13  
A1BFW C10 O2   sing N N 14  
A1BFW N1  N2   sing Y N 15  
A1BFW C7  O2   sing N N 16  
A1BFW N3  H6   sing N N 17  
A1BFW C6  H8   sing N N 18  
A1BFW C6  H7   sing N N 19  
A1BFW C7  H9   sing N N 20  
A1BFW C8  H10  sing N N 21  
A1BFW C8  H11  sing N N 22  
A1BFW C10 H14  sing N N 23  
A1BFW C10 H15  sing N N 24  
A1BFW C1  H2   sing N N 25  
A1BFW C1  H3   sing N N 26  
A1BFW C1  H1   sing N N 27  
A1BFW C2  H4   sing N N 28  
A1BFW C3  H5   sing N N 29  
A1BFW C9  H12  sing N N 30  
A1BFW C9  H13  sing N N 31  
ALA   N   CA   sing N N 32  
ALA   N   H    sing N N 33  
ALA   N   H2   sing N N 34  
ALA   CA  C    sing N N 35  
ALA   CA  CB   sing N N 36  
ALA   CA  HA   sing N N 37  
ALA   C   O    doub N N 38  
ALA   C   OXT  sing N N 39  
ALA   CB  HB1  sing N N 40  
ALA   CB  HB2  sing N N 41  
ALA   CB  HB3  sing N N 42  
ALA   OXT HXT  sing N N 43  
ARG   N   CA   sing N N 44  
ARG   N   H    sing N N 45  
ARG   N   H2   sing N N 46  
ARG   CA  C    sing N N 47  
ARG   CA  CB   sing N N 48  
ARG   CA  HA   sing N N 49  
ARG   C   O    doub N N 50  
ARG   C   OXT  sing N N 51  
ARG   CB  CG   sing N N 52  
ARG   CB  HB2  sing N N 53  
ARG   CB  HB3  sing N N 54  
ARG   CG  CD   sing N N 55  
ARG   CG  HG2  sing N N 56  
ARG   CG  HG3  sing N N 57  
ARG   CD  NE   sing N N 58  
ARG   CD  HD2  sing N N 59  
ARG   CD  HD3  sing N N 60  
ARG   NE  CZ   sing N N 61  
ARG   NE  HE   sing N N 62  
ARG   CZ  NH1  sing N N 63  
ARG   CZ  NH2  doub N N 64  
ARG   NH1 HH11 sing N N 65  
ARG   NH1 HH12 sing N N 66  
ARG   NH2 HH21 sing N N 67  
ARG   NH2 HH22 sing N N 68  
ARG   OXT HXT  sing N N 69  
ASN   N   CA   sing N N 70  
ASN   N   H    sing N N 71  
ASN   N   H2   sing N N 72  
ASN   CA  C    sing N N 73  
ASN   CA  CB   sing N N 74  
ASN   CA  HA   sing N N 75  
ASN   C   O    doub N N 76  
ASN   C   OXT  sing N N 77  
ASN   CB  CG   sing N N 78  
ASN   CB  HB2  sing N N 79  
ASN   CB  HB3  sing N N 80  
ASN   CG  OD1  doub N N 81  
ASN   CG  ND2  sing N N 82  
ASN   ND2 HD21 sing N N 83  
ASN   ND2 HD22 sing N N 84  
ASN   OXT HXT  sing N N 85  
ASP   N   CA   sing N N 86  
ASP   N   H    sing N N 87  
ASP   N   H2   sing N N 88  
ASP   CA  C    sing N N 89  
ASP   CA  CB   sing N N 90  
ASP   CA  HA   sing N N 91  
ASP   C   O    doub N N 92  
ASP   C   OXT  sing N N 93  
ASP   CB  CG   sing N N 94  
ASP   CB  HB2  sing N N 95  
ASP   CB  HB3  sing N N 96  
ASP   CG  OD1  doub N N 97  
ASP   CG  OD2  sing N N 98  
ASP   OD2 HD2  sing N N 99  
ASP   OXT HXT  sing N N 100 
CYS   N   CA   sing N N 101 
CYS   N   H    sing N N 102 
CYS   N   H2   sing N N 103 
CYS   CA  C    sing N N 104 
CYS   CA  CB   sing N N 105 
CYS   CA  HA   sing N N 106 
CYS   C   O    doub N N 107 
CYS   C   OXT  sing N N 108 
CYS   CB  SG   sing N N 109 
CYS   CB  HB2  sing N N 110 
CYS   CB  HB3  sing N N 111 
CYS   SG  HG   sing N N 112 
CYS   OXT HXT  sing N N 113 
EDO   C1  O1   sing N N 114 
EDO   C1  C2   sing N N 115 
EDO   C1  H11  sing N N 116 
EDO   C1  H12  sing N N 117 
EDO   O1  HO1  sing N N 118 
EDO   C2  O2   sing N N 119 
EDO   C2  H21  sing N N 120 
EDO   C2  H22  sing N N 121 
EDO   O2  HO2  sing N N 122 
EPE   N1  C2   sing N N 123 
EPE   N1  C6   sing N N 124 
EPE   N1  C9   sing N N 125 
EPE   C2  C3   sing N N 126 
EPE   C2  H21  sing N N 127 
EPE   C2  H22  sing N N 128 
EPE   C3  N4   sing N N 129 
EPE   C3  H31  sing N N 130 
EPE   C3  H32  sing N N 131 
EPE   N4  C5   sing N N 132 
EPE   N4  C7   sing N N 133 
EPE   C5  C6   sing N N 134 
EPE   C5  H51  sing N N 135 
EPE   C5  H52  sing N N 136 
EPE   C6  H61  sing N N 137 
EPE   C6  H62  sing N N 138 
EPE   C7  C8   sing N N 139 
EPE   C7  H71  sing N N 140 
EPE   C7  H72  sing N N 141 
EPE   C8  O8   sing N N 142 
EPE   C8  H81  sing N N 143 
EPE   C8  H82  sing N N 144 
EPE   O8  HO8  sing N N 145 
EPE   C9  C10  sing N N 146 
EPE   C9  H91  sing N N 147 
EPE   C9  H92  sing N N 148 
EPE   C10 S    sing N N 149 
EPE   C10 H101 sing N N 150 
EPE   C10 H102 sing N N 151 
EPE   S   O1S  doub N N 152 
EPE   S   O2S  doub N N 153 
EPE   S   O3S  sing N N 154 
EPE   O3S HOS3 sing N N 155 
GLN   N   CA   sing N N 156 
GLN   N   H    sing N N 157 
GLN   N   H2   sing N N 158 
GLN   CA  C    sing N N 159 
GLN   CA  CB   sing N N 160 
GLN   CA  HA   sing N N 161 
GLN   C   O    doub N N 162 
GLN   C   OXT  sing N N 163 
GLN   CB  CG   sing N N 164 
GLN   CB  HB2  sing N N 165 
GLN   CB  HB3  sing N N 166 
GLN   CG  CD   sing N N 167 
GLN   CG  HG2  sing N N 168 
GLN   CG  HG3  sing N N 169 
GLN   CD  OE1  doub N N 170 
GLN   CD  NE2  sing N N 171 
GLN   NE2 HE21 sing N N 172 
GLN   NE2 HE22 sing N N 173 
GLN   OXT HXT  sing N N 174 
GLU   N   CA   sing N N 175 
GLU   N   H    sing N N 176 
GLU   N   H2   sing N N 177 
GLU   CA  C    sing N N 178 
GLU   CA  CB   sing N N 179 
GLU   CA  HA   sing N N 180 
GLU   C   O    doub N N 181 
GLU   C   OXT  sing N N 182 
GLU   CB  CG   sing N N 183 
GLU   CB  HB2  sing N N 184 
GLU   CB  HB3  sing N N 185 
GLU   CG  CD   sing N N 186 
GLU   CG  HG2  sing N N 187 
GLU   CG  HG3  sing N N 188 
GLU   CD  OE1  doub N N 189 
GLU   CD  OE2  sing N N 190 
GLU   OE2 HE2  sing N N 191 
GLU   OXT HXT  sing N N 192 
GLY   N   CA   sing N N 193 
GLY   N   H    sing N N 194 
GLY   N   H2   sing N N 195 
GLY   CA  C    sing N N 196 
GLY   CA  HA2  sing N N 197 
GLY   CA  HA3  sing N N 198 
GLY   C   O    doub N N 199 
GLY   C   OXT  sing N N 200 
GLY   OXT HXT  sing N N 201 
HIS   N   CA   sing N N 202 
HIS   N   H    sing N N 203 
HIS   N   H2   sing N N 204 
HIS   CA  C    sing N N 205 
HIS   CA  CB   sing N N 206 
HIS   CA  HA   sing N N 207 
HIS   C   O    doub N N 208 
HIS   C   OXT  sing N N 209 
HIS   CB  CG   sing N N 210 
HIS   CB  HB2  sing N N 211 
HIS   CB  HB3  sing N N 212 
HIS   CG  ND1  sing Y N 213 
HIS   CG  CD2  doub Y N 214 
HIS   ND1 CE1  doub Y N 215 
HIS   ND1 HD1  sing N N 216 
HIS   CD2 NE2  sing Y N 217 
HIS   CD2 HD2  sing N N 218 
HIS   CE1 NE2  sing Y N 219 
HIS   CE1 HE1  sing N N 220 
HIS   NE2 HE2  sing N N 221 
HIS   OXT HXT  sing N N 222 
HOH   O   H1   sing N N 223 
HOH   O   H2   sing N N 224 
ILE   N   CA   sing N N 225 
ILE   N   H    sing N N 226 
ILE   N   H2   sing N N 227 
ILE   CA  C    sing N N 228 
ILE   CA  CB   sing N N 229 
ILE   CA  HA   sing N N 230 
ILE   C   O    doub N N 231 
ILE   C   OXT  sing N N 232 
ILE   CB  CG1  sing N N 233 
ILE   CB  CG2  sing N N 234 
ILE   CB  HB   sing N N 235 
ILE   CG1 CD1  sing N N 236 
ILE   CG1 HG12 sing N N 237 
ILE   CG1 HG13 sing N N 238 
ILE   CG2 HG21 sing N N 239 
ILE   CG2 HG22 sing N N 240 
ILE   CG2 HG23 sing N N 241 
ILE   CD1 HD11 sing N N 242 
ILE   CD1 HD12 sing N N 243 
ILE   CD1 HD13 sing N N 244 
ILE   OXT HXT  sing N N 245 
LEU   N   CA   sing N N 246 
LEU   N   H    sing N N 247 
LEU   N   H2   sing N N 248 
LEU   CA  C    sing N N 249 
LEU   CA  CB   sing N N 250 
LEU   CA  HA   sing N N 251 
LEU   C   O    doub N N 252 
LEU   C   OXT  sing N N 253 
LEU   CB  CG   sing N N 254 
LEU   CB  HB2  sing N N 255 
LEU   CB  HB3  sing N N 256 
LEU   CG  CD1  sing N N 257 
LEU   CG  CD2  sing N N 258 
LEU   CG  HG   sing N N 259 
LEU   CD1 HD11 sing N N 260 
LEU   CD1 HD12 sing N N 261 
LEU   CD1 HD13 sing N N 262 
LEU   CD2 HD21 sing N N 263 
LEU   CD2 HD22 sing N N 264 
LEU   CD2 HD23 sing N N 265 
LEU   OXT HXT  sing N N 266 
LYS   N   CA   sing N N 267 
LYS   N   H    sing N N 268 
LYS   N   H2   sing N N 269 
LYS   CA  C    sing N N 270 
LYS   CA  CB   sing N N 271 
LYS   CA  HA   sing N N 272 
LYS   C   O    doub N N 273 
LYS   C   OXT  sing N N 274 
LYS   CB  CG   sing N N 275 
LYS   CB  HB2  sing N N 276 
LYS   CB  HB3  sing N N 277 
LYS   CG  CD   sing N N 278 
LYS   CG  HG2  sing N N 279 
LYS   CG  HG3  sing N N 280 
LYS   CD  CE   sing N N 281 
LYS   CD  HD2  sing N N 282 
LYS   CD  HD3  sing N N 283 
LYS   CE  NZ   sing N N 284 
LYS   CE  HE2  sing N N 285 
LYS   CE  HE3  sing N N 286 
LYS   NZ  HZ1  sing N N 287 
LYS   NZ  HZ2  sing N N 288 
LYS   NZ  HZ3  sing N N 289 
LYS   OXT HXT  sing N N 290 
MET   N   CA   sing N N 291 
MET   N   H    sing N N 292 
MET   N   H2   sing N N 293 
MET   CA  C    sing N N 294 
MET   CA  CB   sing N N 295 
MET   CA  HA   sing N N 296 
MET   C   O    doub N N 297 
MET   C   OXT  sing N N 298 
MET   CB  CG   sing N N 299 
MET   CB  HB2  sing N N 300 
MET   CB  HB3  sing N N 301 
MET   CG  SD   sing N N 302 
MET   CG  HG2  sing N N 303 
MET   CG  HG3  sing N N 304 
MET   SD  CE   sing N N 305 
MET   CE  HE1  sing N N 306 
MET   CE  HE2  sing N N 307 
MET   CE  HE3  sing N N 308 
MET   OXT HXT  sing N N 309 
PHE   N   CA   sing N N 310 
PHE   N   H    sing N N 311 
PHE   N   H2   sing N N 312 
PHE   CA  C    sing N N 313 
PHE   CA  CB   sing N N 314 
PHE   CA  HA   sing N N 315 
PHE   C   O    doub N N 316 
PHE   C   OXT  sing N N 317 
PHE   CB  CG   sing N N 318 
PHE   CB  HB2  sing N N 319 
PHE   CB  HB3  sing N N 320 
PHE   CG  CD1  doub Y N 321 
PHE   CG  CD2  sing Y N 322 
PHE   CD1 CE1  sing Y N 323 
PHE   CD1 HD1  sing N N 324 
PHE   CD2 CE2  doub Y N 325 
PHE   CD2 HD2  sing N N 326 
PHE   CE1 CZ   doub Y N 327 
PHE   CE1 HE1  sing N N 328 
PHE   CE2 CZ   sing Y N 329 
PHE   CE2 HE2  sing N N 330 
PHE   CZ  HZ   sing N N 331 
PHE   OXT HXT  sing N N 332 
PRO   N   CA   sing N N 333 
PRO   N   CD   sing N N 334 
PRO   N   H    sing N N 335 
PRO   CA  C    sing N N 336 
PRO   CA  CB   sing N N 337 
PRO   CA  HA   sing N N 338 
PRO   C   O    doub N N 339 
PRO   C   OXT  sing N N 340 
PRO   CB  CG   sing N N 341 
PRO   CB  HB2  sing N N 342 
PRO   CB  HB3  sing N N 343 
PRO   CG  CD   sing N N 344 
PRO   CG  HG2  sing N N 345 
PRO   CG  HG3  sing N N 346 
PRO   CD  HD2  sing N N 347 
PRO   CD  HD3  sing N N 348 
PRO   OXT HXT  sing N N 349 
SER   N   CA   sing N N 350 
SER   N   H    sing N N 351 
SER   N   H2   sing N N 352 
SER   CA  C    sing N N 353 
SER   CA  CB   sing N N 354 
SER   CA  HA   sing N N 355 
SER   C   O    doub N N 356 
SER   C   OXT  sing N N 357 
SER   CB  OG   sing N N 358 
SER   CB  HB2  sing N N 359 
SER   CB  HB3  sing N N 360 
SER   OG  HG   sing N N 361 
SER   OXT HXT  sing N N 362 
SO4   S   O1   doub N N 363 
SO4   S   O2   doub N N 364 
SO4   S   O3   sing N N 365 
SO4   S   O4   sing N N 366 
THR   N   CA   sing N N 367 
THR   N   H    sing N N 368 
THR   N   H2   sing N N 369 
THR   CA  C    sing N N 370 
THR   CA  CB   sing N N 371 
THR   CA  HA   sing N N 372 
THR   C   O    doub N N 373 
THR   C   OXT  sing N N 374 
THR   CB  OG1  sing N N 375 
THR   CB  CG2  sing N N 376 
THR   CB  HB   sing N N 377 
THR   OG1 HG1  sing N N 378 
THR   CG2 HG21 sing N N 379 
THR   CG2 HG22 sing N N 380 
THR   CG2 HG23 sing N N 381 
THR   OXT HXT  sing N N 382 
TRP   N   CA   sing N N 383 
TRP   N   H    sing N N 384 
TRP   N   H2   sing N N 385 
TRP   CA  C    sing N N 386 
TRP   CA  CB   sing N N 387 
TRP   CA  HA   sing N N 388 
TRP   C   O    doub N N 389 
TRP   C   OXT  sing N N 390 
TRP   CB  CG   sing N N 391 
TRP   CB  HB2  sing N N 392 
TRP   CB  HB3  sing N N 393 
TRP   CG  CD1  doub Y N 394 
TRP   CG  CD2  sing Y N 395 
TRP   CD1 NE1  sing Y N 396 
TRP   CD1 HD1  sing N N 397 
TRP   CD2 CE2  doub Y N 398 
TRP   CD2 CE3  sing Y N 399 
TRP   NE1 CE2  sing Y N 400 
TRP   NE1 HE1  sing N N 401 
TRP   CE2 CZ2  sing Y N 402 
TRP   CE3 CZ3  doub Y N 403 
TRP   CE3 HE3  sing N N 404 
TRP   CZ2 CH2  doub Y N 405 
TRP   CZ2 HZ2  sing N N 406 
TRP   CZ3 CH2  sing Y N 407 
TRP   CZ3 HZ3  sing N N 408 
TRP   CH2 HH2  sing N N 409 
TRP   OXT HXT  sing N N 410 
TYR   N   CA   sing N N 411 
TYR   N   H    sing N N 412 
TYR   N   H2   sing N N 413 
TYR   CA  C    sing N N 414 
TYR   CA  CB   sing N N 415 
TYR   CA  HA   sing N N 416 
TYR   C   O    doub N N 417 
TYR   C   OXT  sing N N 418 
TYR   CB  CG   sing N N 419 
TYR   CB  HB2  sing N N 420 
TYR   CB  HB3  sing N N 421 
TYR   CG  CD1  doub Y N 422 
TYR   CG  CD2  sing Y N 423 
TYR   CD1 CE1  sing Y N 424 
TYR   CD1 HD1  sing N N 425 
TYR   CD2 CE2  doub Y N 426 
TYR   CD2 HD2  sing N N 427 
TYR   CE1 CZ   doub Y N 428 
TYR   CE1 HE1  sing N N 429 
TYR   CE2 CZ   sing Y N 430 
TYR   CE2 HE2  sing N N 431 
TYR   CZ  OH   sing N N 432 
TYR   OH  HH   sing N N 433 
TYR   OXT HXT  sing N N 434 
VAL   N   CA   sing N N 435 
VAL   N   H    sing N N 436 
VAL   N   H2   sing N N 437 
VAL   CA  C    sing N N 438 
VAL   CA  CB   sing N N 439 
VAL   CA  HA   sing N N 440 
VAL   C   O    doub N N 441 
VAL   C   OXT  sing N N 442 
VAL   CB  CG1  sing N N 443 
VAL   CB  CG2  sing N N 444 
VAL   CB  HB   sing N N 445 
VAL   CG1 HG11 sing N N 446 
VAL   CG1 HG12 sing N N 447 
VAL   CG1 HG13 sing N N 448 
VAL   CG2 HG21 sing N N 449 
VAL   CG2 HG22 sing N N 450 
VAL   CG2 HG23 sing N N 451 
VAL   OXT HXT  sing N N 452 
# 
_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                    7HNH 
_atom_sites.fract_transf_matrix[1][1]   0.010465 
_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]   0.010465 
_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]   0.021835 
_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   ? -13.206 -13.033 -9.832  1.00 68.43 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.818 -13.587 -11.176 1.00 62.09 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.745 -12.697 -11.813 1.00 60.93 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.695 -11.483 -11.481 1.00 65.29 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -14.052 -13.748 -12.090 1.00 54.48 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.587 -12.483 -12.692 1.00 48.58 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.006 -11.883 -13.798 1.00 47.90 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.668 -11.725 -12.389 1.00 45.77 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.677 -10.791 -14.118 1.00 46.00 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.710 -10.672 -13.282 1.00 42.26 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.969 -13.271 -12.736 1.00 55.07 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.838  -12.619 -13.448 1.00 54.66 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.054 -12.680 -14.974 1.00 48.13 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.046  -12.860 -15.697 1.00 48.40 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.524  -13.260 -12.956 1.00 62.15 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.365  -13.197 -11.466 1.00 73.74 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.000  -12.030 -10.798 1.00 72.38 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.542  -14.134 -10.505 1.00 77.98 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.947  -12.258 -9.501  1.00 74.39 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.269  -13.543 -9.295  1.00 79.36 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.307 -12.489 -15.448 1.00 37.40 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.743 -12.666 -16.871 1.00 31.61 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.710 -11.339 -17.630 1.00 30.70 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.827 -11.353 -18.877 1.00 28.85 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.167 -13.250 -16.951 1.00 30.27 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.321 -14.601 -16.333 1.00 30.72 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.424 -15.655 -16.566 1.00 31.40 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.269 -15.091 -15.506 1.00 29.08 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.836 -16.726 -15.896 1.00 35.60 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.967 -16.397 -15.239 1.00 33.12 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.553 -10.222 -16.919 1.00 32.04 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.671 -8.844  -17.472 1.00 33.87 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.781 -8.654  -18.708 1.00 33.28 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.231 -7.955  -19.642 1.00 33.48 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.378 -7.772  -16.395 1.00 41.47 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.191 -7.917  -15.150 1.00 51.08 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.736 -8.631  -14.040 1.00 63.17 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.418 -7.449  -14.821 1.00 57.02 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.654 -8.597  -13.086 1.00 62.79 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.701 -7.877  -13.540 1.00 59.73 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.600  -9.292  -18.757 1.00 31.58 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.609  -9.146  -19.855 1.00 31.70 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.090  -9.794  -21.163 1.00 29.68 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.444  -9.571  -22.196 1.00 30.75 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.236  -9.661  -19.409 1.00 37.66 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.174  -11.120 -19.135 1.00 37.49 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.565  -12.008 -20.008 1.00 46.52 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.600  -11.851 -18.081 1.00 41.71 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.636  -13.232 -19.519 1.00 39.32 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.265  -13.166 -18.336 1.00 47.10 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.168 -10.588 -21.163 1.00 24.37 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.791 -11.137 -22.408 1.00 20.80 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.901 -10.218 -22.893 1.00 19.69 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.751 -10.690 -23.666 1.00 17.21 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.349 -12.527 -22.160 1.00 20.06 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.295 -13.493 -21.727 1.00 21.47 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.249  -13.835 -22.570 1.00 23.01 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.155 -14.192 -20.579 1.00 22.44 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.474  -14.698 -21.924 1.00 22.04 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.992  -14.943 -20.715 1.00 25.64 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.941 -8.994  -22.390 1.00 20.30 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.995 -8.007  -22.721 1.00 21.84 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.108 -7.851  -24.242 1.00 21.92 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.079 -7.715  -24.957 1.00 23.93 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.671 -6.657  -22.074 1.00 27.10 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.694 -5.546  -22.306 1.00 33.62 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.284 -5.740  -21.392 1.00 45.66 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.830 -5.120  -19.775 1.00 36.36 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.336 -7.819  -24.748 1.00 18.22 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.630 -7.618  -26.192 1.00 18.98 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.627 -6.444  -26.292 1.00 20.29 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.475 -6.274  -25.384 1.00 20.26 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.149 -8.886  -26.893 1.00 20.32 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.055 -9.940  -27.012 1.00 22.18 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.366 -9.478  -26.229 1.00 21.34 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.560 -5.691  -27.382 1.00 19.74 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.427 -4.513  -27.613 1.00 19.96 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.656 -4.999  -28.383 1.00 19.62 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.539 -5.380  -29.565 1.00 23.28 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.686 -3.442  -28.406 1.00 21.35 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.466 -2.187  -28.639 1.00 25.28 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.608 -1.210  -27.666 1.00 29.84 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.157 -1.758  -29.726 1.00 29.39 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.331 -0.207  -28.148 1.00 26.94 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.693 -0.528  -29.426 1.00 31.25 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.779 -5.136  -27.686 1.00 16.30 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -20.026 -5.648  -28.286 1.00 16.78 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.856 -4.455  -28.799 1.00 16.74 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.874 -3.426  -28.165 1.00 15.83 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.831 -6.466  -27.262 1.00 16.40 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -20.031 -7.664  -26.738 1.00 17.21 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.169 -6.876  -27.873 1.00 15.73 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.486 -8.587  -27.807 1.00 17.01 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.451 -4.625  -29.962 1.00 16.29 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.444 -3.656  -30.493 1.00 16.31 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.699 -4.424  -30.875 1.00 16.27 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.641 -5.640  -31.143 1.00 17.67 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.883 -2.895  -31.695 1.00 18.58 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.503 -3.802  -32.710 1.00 19.16 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.703 -2.000  -31.365 1.00 20.94 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.845 -3.734  -30.866 1.00 14.76 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.130 -4.385  -31.169 1.00 15.56 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.412 -4.378  -32.667 1.00 14.93 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.100 -3.353  -33.331 1.00 17.29 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.213 -3.649  -30.385 1.00 15.15 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -27.020 -3.695  -28.874 1.00 16.26 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.987 -2.778  -28.130 1.00 17.92 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.096 -5.129  -28.347 1.00 17.24 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -27.039 -5.416  -33.147 1.00 14.12 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.403 -5.594  -34.577 1.00 14.04 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.894 -5.193  -34.731 1.00 15.68 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.791 -6.004  -34.425 1.00 14.59 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.123 -7.017  -35.058 1.00 14.60 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.428 -7.287  -36.522 1.00 19.96 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -28.047 -6.402  -37.138 1.00 18.77 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.077 -8.389  -37.032 1.00 18.86 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.110 -3.955  -35.208 0.25 16.53 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.139 -3.970  -35.211 0.25 17.12 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.431 -3.338  -35.543 0.25 17.88 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.504 -3.404  -35.416 0.25 18.69 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.334 -4.325  -36.278 0.25 17.34 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.363 -4.325  -36.288 0.25 17.88 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.547 -4.352  -36.001 0.25 17.04 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.591 -4.333  -36.092 0.25 17.27 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.261 -2.130  -36.481 0.25 18.73 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.420 -2.019  -36.074 0.25 20.86 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.275 -1.081  -35.992 0.25 21.27 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.858 -0.931  -35.171 0.25 23.46 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.356 0.257   -36.719 0.25 21.01 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.416 -0.563  -35.511 0.25 27.04 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.792 1.289   -35.861 0.25 20.81 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.261 0.460   -36.548 0.25 29.09 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.470 1.850   -34.881 0.25 19.62 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.805 0.258   -37.788 0.25 31.10 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.724 1.494   -34.697 0.25 19.95 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.440 -0.941  -38.205 0.25 32.26 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.910 2.751   -34.100 0.25 20.61 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.718 1.279   -38.619 0.25 33.09 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.773 -5.046  -37.248 1.00 17.02 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.562 -5.903  -38.164 1.00 18.00 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.220 -7.082  -37.446 1.00 15.94 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.220 -7.579  -37.915 1.00 15.64 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.704 -6.349  -39.348 1.00 21.64 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.463 -5.215  -40.325 1.00 27.19 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.269 -4.288  -40.446 1.00 34.49 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.372 -5.309  -41.055 1.00 37.98 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.704 -7.476  -36.265 1.00 13.90 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.237 -8.595  -35.477 1.00 13.84 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.268 -8.108  -34.455 1.00 12.43 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.938 -8.934  -33.853 1.00 12.97 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.141 -9.374  -34.731 1.00 13.75 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.592 -8.559  -33.682 1.00 14.11 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.113 -9.930  -35.710 1.00 14.54 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.364 -6.805  -34.259 1.00 12.67 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.182 -6.257  -33.148 1.00 12.27 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.676 -6.434  -33.408 1.00 13.41 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.163 -6.186  -34.518 1.00 13.88 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.862 -4.804  -32.950 1.00 13.27 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.425 -6.757  -32.384 1.00 13.21 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.887 -6.541  -32.377 1.00 12.57 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.167 -5.107  -32.834 1.00 12.60 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.454 -4.156  -32.466 1.00 12.25 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.413 -6.860  -30.982 1.00 13.15 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.883 -6.624  -30.870 1.00 16.18 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.316 -5.504  -30.674 1.00 15.33 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.632 -7.697  -30.901 1.00 19.91 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.242 -4.953  -33.588 1.00 12.72 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.585 -3.692  -34.266 1.00 13.28 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.964 -2.590  -33.289 1.00 12.99 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.074 -1.445  -33.762 1.00 14.57 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.683 -3.905  -35.280 1.00 15.22 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.826 -4.378  -34.589 1.00 19.03 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.152 -2.855  -32.000 1.00 12.27 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.456 -1.812  -30.997 1.00 12.76 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.202 -1.330  -30.271 1.00 13.48 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.311 -0.404  -29.460 1.00 14.57 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.459 -2.323  -30.002 1.00 13.25 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.855 -2.442  -30.535 1.00 14.05 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.236 -2.968  -31.737 1.00 13.98 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -44.044 -1.981  -29.886 1.00 16.11 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.613 -2.880  -31.860 1.00 17.54 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.123 -2.319  -30.726 1.00 15.74 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.289 -1.362  -28.664 1.00 17.91 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.445 -1.995  -30.378 1.00 19.65 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.597 -1.047  -28.315 1.00 19.53 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.652 -1.429  -29.140 1.00 20.90 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -38.032 -1.932  -30.543 1.00 13.49 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.805 -1.526  -29.824 1.00 13.35 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.212 -0.263  -30.455 1.00 13.45 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.207 -0.102  -31.692 1.00 14.16 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.772 -2.666  -29.819 1.00 12.16 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.219 -3.927  -29.089 1.00 13.56 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.110 -4.960  -29.083 1.00 13.10 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.646 -3.652  -27.668 1.00 14.43 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.553 0.518   -29.609 1.00 13.21 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.770 1.717   -29.977 1.00 13.69 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.331 1.483   -29.539 1.00 13.68 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.067 1.376   -28.321 1.00 14.58 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.338 2.964   -29.341 1.00 14.76 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.816 3.207   -29.734 1.00 15.06 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.482 4.184   -29.709 1.00 16.27 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.478 4.292   -29.007 1.00 17.32 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.467 1.360   -30.536 1.00 16.94 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -31.004 1.167   -30.342 1.00 16.99 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.335 2.521   -30.512 1.00 18.70 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.604 3.234   -31.532 1.00 19.50 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.476 0.091   -31.278 1.00 18.09 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -31.058 -1.262  -30.881 1.00 20.64 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.940 0.056   -31.284 1.00 18.08 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.825 -2.289  -31.830 1.00 23.81 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.442 2.872   -29.604 1.00 17.33 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.749 4.173   -29.639 1.00 16.62 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.832 4.260   -30.877 1.00 16.26 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.466 3.242   -31.458 1.00 17.03 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.998 4.350   -28.363 1.00 18.48 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -27.010 3.328   -28.226 1.00 18.19 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.418 5.487   -31.233 1.00 19.46 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.564 5.738   -32.420 1.00 20.70 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.268 4.930   -32.314 1.00 17.87 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.823 4.416   -33.345 1.00 21.71 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.259 7.238   -32.485 1.00 23.98 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.293 7.632   -33.576 1.00 28.14 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.411 9.100   -33.837 1.00 28.16 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.295 9.895   -32.561 1.00 33.87 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.346 11.328  -32.893 1.00 36.83 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.709 4.835   -31.103 1.00 18.77 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.431 4.090   -30.892 1.00 19.21 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.644 2.569   -30.846 1.00 17.87 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.644 1.823   -30.750 1.00 17.37 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.686 4.588   -29.665 1.00 19.33 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.367 4.343   -28.332 1.00 20.20 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.451 3.699   -28.302 1.00 20.86 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.759 4.747   -27.337 1.00 24.25 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.883 2.114   -30.931 1.00 16.51 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.208 0.668   -30.960 1.00 16.02 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.766 0.011   -29.629 1.00 14.04 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.624 -1.240  -29.593 1.00 14.61 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.669 -0.015  -32.227 1.00 20.45 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.356 0.511   -33.488 1.00 23.06 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.908 -0.052  -34.808 1.00 32.83 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.477 -0.222  -34.950 1.00 41.56 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.804 -1.389  -34.876 1.00 59.91 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.424 -2.552  -34.652 1.00 58.18 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.486 -1.381  -35.042 1.00 62.66 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.753 0.751   -28.546 1.00 14.04 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.353 0.233   -27.213 1.00 15.46 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.507 0.225   -26.218 1.00 14.99 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.327 -0.353  -25.123 1.00 15.49 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.175 1.007   -26.629 1.00 16.29 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.955 0.904   -27.528 1.00 17.74 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.093 -0.288  -27.277 1.00 19.28 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.350 -0.096  -26.033 1.00 20.22 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.614 -1.039  -25.444 1.00 19.50 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.549 -2.232  -25.987 1.00 20.11 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.955 -0.765  -24.327 1.00 20.56 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.669 0.817   -26.514 1.00 13.90 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.821 0.848   -25.586 1.00 13.79 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.084 0.460   -26.341 1.00 12.81 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.190 0.715   -27.590 1.00 13.86 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.059 2.232   -24.974 1.00 16.16 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.813 2.854   -24.415 1.00 19.68 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.176 4.081   -23.610 1.00 22.98 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.333 4.295   -23.226 1.00 24.10 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.171 4.880   -23.357 1.00 28.02 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -30.016 -0.173  -25.644 1.00 12.23 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.317 -0.551  -26.257 1.00 12.62 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.397 -0.365  -25.208 1.00 12.78 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.201 -0.727  -24.042 1.00 11.97 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.286 -1.955  -26.873 1.00 11.74 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.839 -3.031  -25.867 1.00 12.38 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.630 -2.323  -27.506 1.00 13.46 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.549 0.121   -25.631 1.00 13.22 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.731 0.191   -24.747 1.00 14.11 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.996 -0.114  -25.562 1.00 13.83 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.994 -0.034  -26.789 1.00 12.48 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.855 1.555   -24.057 1.00 15.35 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.140 2.684   -25.036 1.00 18.14 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -35.069 4.009   -24.283 1.00 20.50 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.390 5.113   -25.166 1.00 24.83 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.588 5.586   -25.452 1.00 22.16 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.699 5.028   -25.006 1.00 26.38 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.653 6.626   -26.303 1.00 28.13 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -37.056 -0.433  -24.823 0.25 13.96 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.072 -0.493  -24.882 0.25 15.20 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.431 -0.655  -25.338 0.25 14.94 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.353 -0.786  -25.577 0.25 16.84 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -39.020 0.706   -25.718 0.25 15.00 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.147 0.511   -25.705 0.25 16.19 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -38.984 1.632   -24.894 0.25 16.26 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.489 1.094   -24.650 0.25 15.77 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.281 -1.343  -24.263 0.25 15.36 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.216 -1.823  -24.860 0.25 19.24 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.678 -1.768  -24.729 0.25 16.36 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.542 -2.065  -25.607 0.25 22.04 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.590 -2.779  -26.257 0.25 17.49 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.331 -3.624  -25.147 0.25 25.09 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.156 -3.649  -26.268 0.25 17.99 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.590 -3.711  -26.422 0.25 24.88 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.472 0.849   -26.957 1.00 15.80 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.264 2.032   -27.349 1.00 16.55 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.717 1.857   -26.950 1.00 17.68 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.131 0.753   -26.534 1.00 18.31 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.474 2.962   -27.029 1.00 22.61 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.906 2.915   -26.602 1.00 25.84 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.755 2.545   -27.842 1.00 26.03 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.981 2.404   -27.699 1.00 25.20 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.321 4.187   -25.832 1.00 32.53 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.914 4.221   -24.340 1.00 44.13 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.634 3.133   -23.756 1.00 47.82 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.895 5.337   -23.727 1.00 40.55 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.128 2.256   -28.987 1.00 19.70 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.841 1.922   -30.265 1.00 18.66 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.898 1.231   -31.260 1.00 16.04 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.611 1.212   -31.071 1.00 15.02 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.411 3.234   -30.802 1.00 20.08 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.285 2.981   -31.881 1.00 22.17 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.316 4.146   -31.297 1.00 21.12 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.403 0.768   -32.402 1.00 16.00 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.581 0.295   -33.546 1.00 15.77 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.625 1.387   -34.006 1.00 17.21 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.072 2.547   -34.223 1.00 17.87 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.526 -0.218  -34.642 1.00 15.75 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.904 -0.866  -35.833 1.00 14.67 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.151 -0.192  -36.766 1.00 14.41 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -43.975 -2.153  -36.255 1.00 14.47 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.783 -1.020  -37.718 1.00 14.95 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.292 -2.269  -37.429 1.00 14.83 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.344 1.051   -34.214 1.00 15.24 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.302 2.052   -34.497 1.00 15.18 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.121 2.320   -36.002 1.00 16.85 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.111 2.919   -36.403 1.00 16.71 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -39.005 1.649   -33.789 1.00 15.44 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.141 1.744   -32.303 1.00 14.68 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.657 3.073   -31.810 1.00 14.99 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.614 3.193   -31.030 1.00 18.84 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -39.005 4.134   -32.263 1.00 14.41 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.092 1.964   -36.827 1.00 14.99 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.172 2.436   -38.244 1.00 14.70 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.076 1.819   -39.115 1.00 15.39 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.641 2.419   -40.108 1.00 17.39 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.284 3.982   -38.335 1.00 14.67 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.895 4.408   -39.669 1.00 15.93 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.754 3.728   -40.231 1.00 14.39 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.462 5.544   -40.221 1.00 15.10 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.740 0.558   -38.858 1.00 17.36 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.772 -0.246  -39.656 1.00 17.77 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.543 -1.312  -40.454 1.00 16.79 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.599 -1.723  -39.990 1.00 17.54 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.722 -0.896  -38.730 1.00 18.83 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.833 0.169   -38.101 1.00 21.60 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.351 -1.755  -37.635 1.00 20.92 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.985 -1.766  -41.568 1.00 18.95 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.538 -2.921  -42.309 1.00 18.98 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.324 -4.223  -41.524 1.00 18.87 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.378 -4.311  -40.729 1.00 16.97 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.959 -3.000  -43.706 1.00 21.91 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.565 -3.189  -43.621 1.00 23.77 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.196 -5.209  -41.716 1.00 18.91 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -40.068 -6.565  -41.142 1.00 18.05 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -39.004 -7.292  -41.958 1.00 17.99 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.751 -6.956  -43.140 1.00 19.08 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.404 -7.318  -41.051 1.00 19.42 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.448 -8.383  -39.934 1.00 23.64 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.448 -8.513  -39.210 1.00 17.63 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -42.563 -8.982  -39.651 1.00 26.34 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.372 -8.286  -41.328 1.00 17.69 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.389 -9.165  -41.991 1.00 18.01 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.349 -10.478 -41.209 1.00 18.30 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.898 -10.553 -40.066 1.00 18.56 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -36.044 -8.493  -42.192 1.00 17.40 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.283 -8.300  -40.898 1.00 18.48 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -35.099 -9.264  -40.160 1.00 20.20 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.895 -7.099  -40.604 1.00 18.11 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.720 -11.488 -41.779 1.00 20.23 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.765 -12.849 -41.197 1.00 20.34 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.866 -12.924 -39.942 1.00 18.43 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -36.051 -13.891 -39.175 1.00 18.76 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.262 -13.863 -42.240 1.00 24.24 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.807 -13.642 -42.602 1.00 29.75 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.291 -14.257 -43.894 1.00 42.37 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.791 -14.063 -44.005 1.00 47.85 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.212 -14.962 -45.029 1.00 55.03 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.931 -11.987 -39.772 1.00 17.58 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -34.019 -11.983 -38.582 1.00 18.13 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.726 -11.454 -37.326 1.00 17.22 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.285 -11.761 -36.203 1.00 17.23 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.820 -11.102 -38.854 1.00 20.46 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.934 -11.520 -40.026 1.00 24.82 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.753 -10.560 -40.193 1.00 32.72 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.726 -9.798  -41.212 1.00 42.31 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.881 -10.489 -39.290 1.00 39.43 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.750 -10.615 -37.442 1.00 14.71 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.276 -9.907  -36.244 1.00 14.91 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.991 -10.837 -35.285 1.00 13.93 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.868 -11.653 -35.672 1.00 14.80 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.266 -8.807  -36.643 1.00 14.40 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.675 -7.666  -37.440 1.00 15.36 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.599 -6.428  -37.398 1.00 15.16 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -37.099 -5.422  -38.297 1.00 15.52 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.996 -4.702  -38.092 1.00 16.15 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.346 -4.737  -36.926 1.00 14.39 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.556 -3.874  -39.024 1.00 18.91 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.697 -10.756 -33.985 1.00 12.99 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.504 -11.464 -32.984 1.00 12.86 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.922 -10.864 -32.991 1.00 14.88 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -39.060 -9.636  -32.770 1.00 14.49 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.885 -11.389 -31.600 1.00 12.70 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.630 -12.211 -31.478 1.00 12.25 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.730 -13.563 -31.212 1.00 12.30 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.374 -11.635 -31.559 1.00 13.16 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.592 -14.360 -31.089 1.00 13.45 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.246 -12.428 -31.391 1.00 13.34 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.365 -13.798 -31.192 1.00 11.97 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.937 -11.685 -33.214 1.00 15.56 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.322 -11.157 -33.388 1.00 17.43 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -42.078 -11.090 -32.069 1.00 17.14 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.843 -10.118 -31.890 1.00 19.44 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -42.056 -11.999 -34.422 1.00 17.72 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.190 -13.328 -33.983 1.00 17.47 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.921 -12.014 -31.154 1.00 15.54 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.861 -12.159 -30.013 1.00 16.56 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.367 -11.387 -28.790 1.00 16.59 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.144 -11.219 -27.821 1.00 18.58 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.139 -13.605 -29.650 1.00 17.71 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -44.034 -14.323 -30.654 1.00 21.99 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.870 -14.163 -31.864 1.00 24.03 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -44.944 -15.148 -30.133 1.00 26.47 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -41.051 -11.109 -28.713 1.00 14.27 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.451 -10.621 -27.455 1.00 13.87 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.502 -9.475  -27.774 1.00 12.63 ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.964 -9.404  -28.881 1.00 13.91 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.662 -11.751 -26.787 1.00 13.94 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.359 -13.090 -26.711 1.00 14.64 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.379 -13.288 -25.796 1.00 16.93 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -40.032 -14.160 -27.541 1.00 16.66 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -42.047 -14.509 -25.693 1.00 20.49 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.717 -15.365 -27.493 1.00 18.05 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.694 -15.554 -26.525 1.00 18.86 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.351 -16.759 -26.439 1.00 18.75 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.176 -8.604  -26.795 1.00 12.01 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.318 -7.441  -27.031 1.00 12.25 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.808 -7.790  -27.009 1.00 11.63 ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -36.051 -7.239  -26.217 1.00 12.57 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.715 -6.464  -25.886 1.00 13.92 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.924 -7.088  -25.227 1.00 13.91 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.806 -8.543  -25.481 1.00 12.15 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.427 -8.666  -27.962 1.00 11.82 ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -35.069 -9.254  -28.022 1.00 10.80 ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.269 -8.665  -29.174 1.00 11.02 ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.794 -8.177  -30.195 1.00 11.48 ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.191 -10.774 -28.193 1.00 11.23 ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.775 -11.450 -27.016 1.00 11.05 ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.252 -13.160 -27.410 1.00 13.01 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.872 -13.763 -25.852 1.00 14.05 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.949 -8.723  -29.023 1.00 11.13 ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.976 -8.263  -30.047 1.00 11.41 ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.663 -9.039  -29.853 1.00 11.75 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.367 -9.440  -28.684 1.00 11.45 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.793 -6.726  -30.014 1.00 11.63 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.258 -6.254  -28.675 1.00 12.52 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.901 -6.210  -31.147 1.00 12.18 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.893 -9.211  -30.910 1.00 11.76 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.563 -9.858  -30.846 1.00 11.33 ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.447 -8.854  -30.966 1.00 12.37 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.580 -7.783  -31.649 1.00 12.70 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.401 -10.923 -31.938 1.00 12.22 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.468 -11.997 -31.974 1.00 12.52 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.143 -13.108 -32.989 1.00 14.75 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.683 -12.630 -30.595 1.00 12.82 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.303 -9.190  -30.386 1.00 11.45 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -25.057 -8.500  -30.761 1.00 11.89 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.662 -8.817  -32.195 1.00 12.20 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.967 -9.921  -32.680 1.00 13.78 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.868 -7.951  -32.780 1.00 13.48 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.377 -8.128  -34.167 1.00 15.69 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.265 -9.177  -34.213 1.00 16.24 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.111 -9.871  -35.251 1.00 19.49 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.909 -6.790  -34.642 1.00 16.93 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.516 -9.285  -33.130 1.00 16.05 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.314 -10.142 -33.115 1.00 15.33 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.750 -11.610 -33.126 1.00 17.69 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.749 -11.971 -32.464 1.00 17.38 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.459 -9.800  -31.882 1.00 17.68 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.770 -8.445  -31.941 1.00 19.13 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.730 -7.276  -31.826 1.00 19.06 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.708 -7.334  -31.084 1.00 18.08 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.458 -6.187  -32.521 1.00 20.80 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.996 -12.460 -33.833 1.00 16.80 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.143 -13.923 -33.837 1.00 16.40 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.875 -14.555 -33.281 1.00 16.26 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.781 -14.107 -33.624 1.00 18.82 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.273 -14.506 -35.257 1.00 20.94 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.638 -14.401 -35.938 1.00 30.76 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.203 -13.002 -35.827 1.00 31.32 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -23.091 -12.326 -36.784 1.00 37.23 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.778 -12.837 -37.803 1.00 36.24 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.520 -12.015 -38.531 1.00 39.26 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.737 -14.115 -38.113 1.00 36.75 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -19.021 -15.485 -32.362 1.00 15.66 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.863 -16.144 -31.694 1.00 15.29 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.913 -17.641 -31.971 1.00 14.02 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.938 -18.288 -31.726 1.00 13.95 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.925 -15.890 -30.171 1.00 16.94 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.942 -14.422 -29.805 1.00 17.87 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.935 -13.587 -30.280 1.00 20.72 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.926 -13.868 -29.026 1.00 25.44 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.903 -12.222 -30.000 1.00 23.25 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.871 -12.510 -28.707 1.00 20.40 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.907 -11.696 -29.242 1.00 21.37 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.802 -18.218 -32.452 0.25 14.02 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.805 -18.208 -32.468 0.25 14.22 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.700 -19.672 -32.750 0.25 14.57 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.668 -19.660 -32.762 0.25 14.96 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.469 -20.288 -32.065 0.25 14.49 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.389 -20.218 -32.146 0.25 15.21 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.309 -21.523 -32.141 0.25 14.28 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.982 -21.310 -32.555 0.25 15.32 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.731 -19.908 -34.248 0.25 14.71 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.647 -19.905 -34.235 0.25 14.81 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.073 -19.760 -34.751 0.25 15.55 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.597 -19.175 -34.819 0.25 15.69 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.682 -19.480 -31.346 0.25 14.31 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.769 -19.488 -31.223 0.25 15.67 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.498 -19.940 -30.581 0.25 15.17 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.502 -19.905 -30.590 0.25 16.88 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.203 -18.953 -29.453 0.25 16.04 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.087 -18.882 -29.540 0.25 16.90 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.837 -17.902 -29.419 0.25 15.51 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.478 -17.707 -29.686 0.25 15.30 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.301 -20.081 -31.499 0.25 15.56 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.434 -20.065 -31.647 0.25 18.41 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.840 -18.804 -31.892 0.25 15.03 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.225 -20.477 -31.045 0.25 20.54 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.262 -19.301 -28.578 1.00 17.67 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.654 -18.342 -27.646 1.00 18.94 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.473 -18.084 -26.382 1.00 15.09 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.508 -18.743 -26.145 1.00 16.32 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.994 -17.084 -25.676 1.00 15.93 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.559 -16.624 -24.413 1.00 15.86 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.987 -15.179 -24.665 1.00 15.50 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.189 -14.373 -25.165 1.00 16.76 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.521 -16.749 -23.309 1.00 16.66 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.121 -18.183 -22.983 1.00 17.14 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -9.960  -18.255 -21.945 1.00 20.46 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.581  -19.665 -21.553 1.00 24.27 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.503  -19.619 -20.534 1.00 28.39 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.201 -14.829 -24.244 1.00 14.20 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.818 -13.503 -24.454 1.00 13.97 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.484 -13.055 -23.156 1.00 13.51 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.065 -13.886 -22.458 1.00 14.79 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.928 -13.624 -25.485 1.00 14.45 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.508 -13.764 -26.936 1.00 15.35 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.746 -15.333 -27.448 1.00 17.35 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -16.002 -16.520 -27.037 1.00 17.01 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.471 -11.764 -22.868 1.00 13.43 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.059 -11.183 -21.633 1.00 14.30 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.673 -9.853  -22.013 1.00 15.28 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -16.054 -9.048  -22.741 1.00 15.31 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -15.005 -10.992 -20.535 1.00 15.48 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.522 -10.394 -19.254 1.00 15.08 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.261 -11.157 -18.370 1.00 14.89 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.345 -9.041  -18.989 1.00 15.25 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.755 -10.618 -17.188 1.00 15.76 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.860 -8.471  -17.837 1.00 14.17 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.562 -9.256  -16.948 1.00 14.51 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.064 -8.682  -15.813 1.00 17.05 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.877 -9.598  -21.532 1.00 12.67 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.471 -8.248  -21.636 1.00 12.70 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.375 -7.973  -20.428 1.00 13.41 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.709 -8.905  -19.678 1.00 13.62 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.207 -8.050  -22.986 1.00 12.27 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.388 -8.927  -23.240 1.00 12.11 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.724 -8.640  -23.010 1.00 13.03 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.384 -10.250 -23.770 1.00 12.80 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.515 -9.693  -23.406 1.00 13.24 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.714 -10.704 -23.869 1.00 13.74 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.356 -11.092 -24.212 1.00 15.54 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -22.047 -11.946 -24.378 1.00 14.92 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.674 -12.336 -24.695 1.00 17.43 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -20.997 -12.760 -24.774 1.00 15.44 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.795 -6.713  -20.253 1.00 13.35 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.622 -6.290  -19.089 1.00 13.14 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.835 -5.502  -19.550 1.00 12.68 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.743 -4.808  -20.576 1.00 13.25 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.837 -5.435  -18.095 1.00 14.40 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.726 -6.255  -17.425 1.00 17.14 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.866 -5.512  -16.424 1.00 21.56 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -18.035 -4.262  -16.333 1.00 27.05 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -17.029 -6.186  -15.705 1.00 19.40 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.950 -5.742  -18.872 1.00 12.78 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.220 -5.084  -19.210 1.00 12.02 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.798 -4.401  -17.970 1.00 11.74 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.886 -5.030  -16.902 1.00 13.07 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.233 -6.079  -19.786 1.00 12.17 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.476 -5.332  -20.213 1.00 13.42 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.628 -6.927  -20.896 1.00 13.15 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.239 -3.147  -18.122 1.00 12.24 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.908 -2.348  -17.077 1.00 14.07 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.400 -2.623  -17.109 1.00 12.21 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -28.012 -2.553  -18.241 1.00 12.95 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.610 -0.857  -17.264 1.00 15.41 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.981 -0.047  -16.026 1.00 18.01 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.139 -0.061  -15.625 1.00 16.46 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.050 0.407   -15.335 1.00 24.11 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.962 -3.052  -15.980 1.00 12.43 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.397 -3.397  -15.824 1.00 13.64 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.083 -2.497  -14.786 1.00 14.15 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.171 -2.830  -14.323 1.00 13.98 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.562 -4.904  -15.492 1.00 13.60 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -28.979 -5.810  -16.610 1.00 13.43 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.952 -5.291  -14.148 1.00 13.74 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.452 -1.386  -14.420 1.00 14.61 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.954 -0.486  -13.367 1.00 15.77 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.444 -0.170  -13.566 1.00 15.88 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.866 0.215   -14.675 1.00 14.84 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.171 0.816   -13.366 1.00 16.26 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.786 0.551   -13.098 1.00 18.16 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.783 1.729   -12.319 1.00 18.69 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.210 -0.365  -12.492 0.50 17.58 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.640 0.005   -12.328 0.50 18.43 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.553 -0.702  -13.327 0.50 18.67 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.669 -0.192  -13.583 0.50 19.72 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.802 1.515   -12.431 0.50 20.89 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.574 2.178   -11.088 0.50 21.72 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.492 1.622   -10.024 0.50 21.83 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.075 0.881   -9.141  0.50 23.59 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.762 1.958   -10.117 0.50 22.27 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.128 -1.840  -13.863 1.00 15.47 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -35.068 -2.690  -14.615 1.00 14.39 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.751 -3.716  -13.704 1.00 12.57 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.124 -4.211  -12.711 1.00 15.48 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.324 -3.360  -15.758 1.00 14.55 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.860 -2.375  -16.844 1.00 14.63 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.385 -3.006  -18.131 1.00 15.38 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.490 -3.727  -18.872 1.00 14.09 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.664 -2.876  -19.224 1.00 13.20 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -37.004 -4.018  -14.010 1.00 11.83 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.831 -5.030  -13.333 1.00 12.48 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.729 -6.406  -14.002 1.00 12.31 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.073 -7.414  -13.436 1.00 13.06 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.307 -4.613  -13.338 1.00 13.09 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.559 -3.364  -12.528 1.00 14.16 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -41.032 -2.922  -12.620 1.00 14.81 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.430 -2.083  -11.784 1.00 18.20 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.762 -3.440  -13.484 1.00 17.29 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.354 -6.439  -15.275 1.00 11.64 ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.348 -7.689  -16.040 1.00 11.71 ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.393 -7.552  -17.210 1.00 12.72 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.352 -6.494  -17.877 1.00 12.72 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.719 -8.018  -16.572 1.00 12.76 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.675 -8.635  -17.485 1.00 10.73 ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.681 -8.704  -18.596 1.00 11.33 ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.169 -10.126 -18.676 1.00 11.42 ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.271 -10.877 -17.707 1.00 11.64 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.517 -7.716  -18.380 1.00 11.68 ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.828 -7.747  -17.047 1.00 11.51 ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -33.047 -6.910  -15.995 1.00 12.52 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.880 -8.714  -16.528 1.00 11.76 ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.268 -7.208  -14.923 1.00 12.52 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.572 -8.357  -15.207 1.00 12.56 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.271 -9.874  -17.063 1.00 12.66 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.642 -9.032  -14.419 1.00 12.63 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.349 -10.547 -16.293 1.00 12.20 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -30.066 -10.148 -14.981 1.00 12.99 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.640 -10.465 -19.855 1.00 11.01 ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.887 -11.739 -20.075 1.00 11.37 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.505 -11.340 -20.633 1.00 11.34 ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.478 -10.447 -21.505 1.00 11.22 ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.549 -12.703 -21.061 1.00 12.37 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -35.037 -12.939 -20.926 1.00 14.39 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.471 -12.977 -19.799 1.00 17.70 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.719 -13.113 -21.964 1.00 16.65 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.429 -12.044 -20.280 1.00 10.23 ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.082 -11.786 -20.824 1.00 10.49 ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.347 -13.112 -20.990 1.00 10.24 ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.508 -14.036 -20.176 1.00 10.84 ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.269 -10.930 -19.867 1.00 10.55 ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.627 -9.463  -19.747 1.00 12.14 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.772 -8.842  -18.646 1.00 13.16 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.413 -8.770  -21.069 1.00 12.10 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.516 -13.157 -22.033 1.00 9.27  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.532 -14.243 -22.145 1.00 10.38 ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -26.028 -14.329 -23.561 1.00 9.68  ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.660 -13.329 -24.137 1.00 10.08 ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.936 -15.559 -24.071 0.25 9.87  ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -26.032 -15.536 -24.109 0.25 10.32 ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.552 -15.847 -25.482 0.25 10.01 ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.478 -15.801 -25.461 0.25 10.76 ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.553 -16.815 -26.094 0.25 10.44 ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.349 -16.901 -26.087 0.25 10.82 ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.282 -17.526 -25.385 0.25 10.67 ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.912 -17.714 -25.344 0.25 10.87 ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.156 -16.468 -25.643 0.25 10.28 ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.975 -16.139 -25.348 0.25 11.90 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.075 -15.481 -25.271 0.25 9.76  ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.727 -17.455 -24.626 0.25 11.87 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -24.014 -17.764 -24.860 0.25 10.32 ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.271 -16.134 -26.690 0.25 12.43 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.516 -16.891 -27.410 1.00 10.59 ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.316 -17.886 -28.111 1.00 11.48 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.658 -18.296 -29.416 1.00 11.61 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.770 -17.573 -29.941 1.00 12.09 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.724 -17.377 -28.377 1.00 12.91 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.832 -15.955 -29.502 1.00 13.52 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.076 -19.436 -29.935 0.25 12.13 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.065 -19.444 -29.935 0.25 11.29 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.670 -19.838 -31.300 0.25 13.05 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.621 -19.896 -31.280 0.25 11.59 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.089 -18.765 -32.305 0.25 12.48 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.135 -18.907 -32.347 0.25 11.86 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.138 -18.131 -32.149 0.25 12.10 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.320 -18.477 -32.271 0.25 11.60 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.319 -21.163 -31.687 0.25 14.19 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.117 -21.328 -31.517 0.25 11.46 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.748 -22.327 -30.907 0.25 15.38 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.412 -22.052 -32.653 0.25 11.32 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.427 -23.627 -31.268 0.25 16.59 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -26.998 -23.413 -32.919 0.25 10.93 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -27.075 -24.690 -30.340 0.25 16.03 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.858 -24.241 -31.740 0.25 10.43 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.908 -25.651 -29.983 0.25 16.88 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.872 -24.823 -31.092 0.25 10.28 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.139 -25.668 -30.462 0.25 16.99 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.096 -24.736 -31.541 0.25 10.99 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.503 -26.587 -29.149 0.25 18.38 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.642 -25.506 -29.990 0.25 10.32 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.306 -18.615 -33.360 1.00 13.19 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.711 -17.709 -34.462 1.00 14.41 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -28.018 -18.216 -35.074 1.00 15.90 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.744 -17.388 -35.626 1.00 19.30 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.581 -17.629 -35.491 1.00 16.81 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.185 -18.912 -36.192 1.00 19.16 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.677 -20.027 -35.829 1.00 22.20 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.383 -18.790 -37.194 1.00 23.48 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.324 -19.516 -35.060 1.00 13.93 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.493 -20.092 -35.767 1.00 15.89 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.744 -20.226 -34.895 1.00 14.50 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.638 -20.956 -35.255 1.00 15.60 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -29.079 -21.410 -36.376 1.00 18.05 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.587 -22.285 -35.426 1.00 18.34 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.796 -19.589 -33.726 1.00 13.68 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -32.020 -19.684 -32.896 1.00 14.71 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.230 -19.200 -33.703 1.00 14.18 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.131 -18.258 -34.525 1.00 14.42 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.927 -18.955 -31.539 1.00 13.43 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.922 -19.629 -30.630 1.00 13.64 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.686 -17.463 -31.674 1.00 12.82 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.348 -19.821 -33.373 1.00 15.77 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.702 -19.408 -33.854 1.00 16.66 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.916 -17.924 -33.548 1.00 15.80 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.638 -17.493 -32.450 1.00 15.64 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.723 -20.306 -33.139 1.00 18.81 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.207 -20.017 -33.373 1.00 22.39 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.109 -20.869 -32.485 1.00 25.10 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.691 -21.863 -31.848 1.00 27.11 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.393 -20.497 -32.403 1.00 26.41 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.535 -17.204 -34.462 1.00 13.75 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.812 -15.744 -34.339 1.00 13.36 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.318 -15.524 -34.183 1.00 14.31 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.661 -14.505 -33.587 1.00 14.60 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.265 -14.932 -35.506 1.00 13.96 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.784 -15.120 -35.828 1.00 13.76 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.876 -14.903 -34.613 1.00 14.89 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.500 -15.339 -34.971 1.00 15.50 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.572 -14.612 -35.570 1.00 15.81 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.837 -13.387 -35.959 1.00 16.72 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.406 -15.146 -35.899 1.00 17.41 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.164 -16.365 -34.775 1.00 14.83 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.607 -16.079 -34.936 1.00 14.92 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.416 -16.986 -34.035 1.00 17.11 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -41.024 -18.175 -33.880 1.00 18.81 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -41.043 -16.265 -36.388 1.00 15.88 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.221 -15.527 -37.402 1.00 16.88 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.209 -14.001 -37.153 1.00 17.94 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.426 -13.316 -38.229 1.00 17.89 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.387 -11.840 -38.077 1.00 18.84 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.488 -16.482 -33.453 1.00 17.88 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.358 -17.319 -32.624 1.00 17.75 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.870 -17.467 -31.197 1.00 18.91 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.886 -16.726 -30.791 1.00 18.62 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.509 -18.367 -30.456 1.00 18.92 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.254 -18.578 -29.023 1.00 20.93 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.182 -19.649 -28.847 1.00 19.53 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.095 -20.594 -29.651 1.00 20.44 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.544 -18.995 -28.300 1.00 25.74 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.576 -17.891 -28.288 1.00 33.68 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.933 -18.450 -27.969 1.00 45.95 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.249 -18.695 -26.806 1.00 56.11 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.723 -18.681 -29.013 1.00 48.50 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.289 -19.435 -27.888 1.00 16.83 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.251 -20.420 -27.532 1.00 16.92 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.764 -20.148 -26.119 1.00 16.68 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.937 -19.052 -25.578 1.00 17.90 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.083 -20.379 -28.518 1.00 17.31 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.460 -19.014 -28.653 1.00 17.14 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.458 -18.611 -27.782 1.00 17.93 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.830 -18.153 -29.669 1.00 16.96 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.870 -17.367 -27.917 1.00 16.48 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.189 -16.942 -29.844 1.00 16.28 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.225 -16.539 -28.955 1.00 16.56 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.207 -21.170 -25.479 0.25 17.31 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.180 -21.186 -25.525 0.25 16.65 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.572 -21.024 -24.148 0.25 17.76 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.532 -21.154 -24.192 0.25 16.72 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.065 -20.837 -24.318 0.25 16.60 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.042 -20.837 -24.344 0.25 15.94 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.479 -21.369 -25.288 0.25 16.40 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.434 -21.282 -25.351 0.25 15.61 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.854 -22.190 -23.257 0.25 20.61 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.722 -22.465 -23.479 0.25 18.31 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.528 -23.391 -23.928 0.25 23.42 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.096 -22.663 -23.166 0.25 19.84 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.473 -20.109 -23.380 1.00 15.43 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -35.015 -19.926 -23.317 1.00 15.28 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.412 -21.144 -22.621 1.00 15.48 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.495 -21.294 -21.399 1.00 17.20 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.649 -18.642 -22.569 1.00 15.31 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.138 -17.342 -23.181 1.00 17.47 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.778 -16.160 -22.288 1.00 17.73 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.590 -17.151 -24.586 1.00 18.88 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.738 -22.023 -23.362 1.00 14.94 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.150 -23.270 -22.830 1.00 14.80 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.954 -23.610 -23.688 1.00 12.88 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.943 -23.285 -24.891 1.00 13.04 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.100 -24.437 -22.846 1.00 16.35 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.465 -24.754 -24.178 1.00 19.57 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -31.007 -24.376 -23.167 1.00 12.64 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.909 -24.863 -24.004 1.00 14.02 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.398 -25.757 -25.146 1.00 13.60 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.835 -25.660 -26.271 1.00 14.78 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -29.008 -25.617 -23.017 1.00 14.89 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.269 -24.907 -21.694 1.00 14.70 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.762 -24.634 -21.743 1.00 13.79 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.471 -26.519 -24.924 1.00 14.88 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.043 -27.344 -26.033 1.00 18.36 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.452 -26.452 -27.211 1.00 17.18 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.389 -26.879 -28.388 1.00 18.07 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.218 -28.182 -25.538 1.00 22.70 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.863 -29.009 -24.326 1.00 32.57 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.272 -28.395 -22.987 1.00 39.09 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.442 -27.611 -22.356 1.00 26.26 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.420 -28.744 -22.548 1.00 47.48 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.939 -25.229 -26.965 1.00 15.19 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.332 -24.284 -28.040 1.00 14.37 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.181 -23.361 -28.441 1.00 13.62 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.402 -22.493 -29.311 1.00 15.45 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.545 -23.441 -27.629 1.00 16.20 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.819 -24.233 -27.566 1.00 18.74 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.918 -25.280 -28.232 1.00 20.27 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.780 -23.757 -26.779 1.00 19.92 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.965 -23.550 -27.929 1.00 12.56 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.814 -22.738 -28.340 1.00 11.58 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.553 -21.472 -27.538 1.00 11.40 ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.873 -20.590 -28.054 1.00 11.59 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -30.008 -21.414 -26.280 1.00 12.30 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.797 -20.219 -25.414 1.00 11.21 ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.102 -20.584 -24.101 1.00 10.61 ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.547 -21.577 -23.468 1.00 12.25 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.145 -19.565 -25.040 1.00 11.60 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.943 -19.068 -26.226 1.00 10.89 ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.826 -19.912 -26.879 1.00 11.47 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.816 -17.766 -26.674 1.00 11.26 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.547 -19.466 -27.972 1.00 12.52 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.556 -17.322 -27.755 1.00 12.64 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.446 -18.159 -28.372 1.00 11.65 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.160 -19.750 -23.664 1.00 10.16 ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.472 -19.864 -22.350 1.00 10.04 ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.633 -18.515 -21.669 1.00 9.67  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.894 -17.562 -22.013 1.00 10.52 ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -26.009 -20.299 -22.518 1.00 10.42 ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.944 -21.671 -23.123 1.00 10.35 ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.822 -22.859 -22.467 1.00 11.91 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.964 -21.996 -24.534 1.00 10.98 ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.859 -23.907 -23.372 1.00 12.07 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.925 -23.400 -24.636 1.00 11.68 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -26.008 -21.221 -25.695 1.00 11.31 ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.969 -24.044 -25.888 1.00 12.68 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.043 -21.861 -26.932 1.00 12.83 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.044 -23.240 -26.999 1.00 12.30 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.639 -18.426 -20.778 1.00 10.83 ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.161 -17.108 -20.330 1.00 10.27 ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.493 -17.161 -18.828 1.00 10.38 ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.755 -18.239 -18.303 1.00 10.79 ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.422 -16.681 -21.089 1.00 11.08 ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.479 -17.598 -20.861 1.00 11.35 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.107 -16.512 -22.568 1.00 11.21 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.541 -15.974 -18.231 1.00 10.58 ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.185 -15.764 -16.904 1.00 10.62 ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.205 -14.636 -17.099 1.00 10.96 ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.136 -13.882 -18.085 1.00 11.05 ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.171 -15.457 -15.779 1.00 11.34 ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.472 -14.113 -15.961 1.00 12.08 ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.164 -16.592 -15.671 1.00 12.38 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.643 -13.655 -14.765 1.00 11.99 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -32.044 -14.482 -16.091 1.00 10.65 ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.060 -13.420 -16.149 1.00 11.09 ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.485 -12.982 -14.776 1.00 11.73 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.321 -13.665 -13.762 1.00 12.47 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.245 -13.835 -16.977 1.00 13.63 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -35.049 -14.972 -16.461 1.00 16.42 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.910 -14.976 -15.402 1.00 16.69 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.146 -16.241 -17.088 1.00 17.43 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.554 -16.170 -15.340 1.00 19.94 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.121 -16.961 -16.368 1.00 17.91 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.554 -16.798 -18.221 1.00 18.62 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.485 -18.254 -16.716 1.00 20.91 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.956 -18.057 -18.582 1.00 20.36 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.893 -18.769 -17.846 1.00 19.25 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.102 -11.782 -14.800 1.00 11.78 ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.880 -11.237 -13.670 1.00 11.84 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.347 -11.208 -14.085 1.00 11.24 ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.654 -10.723 -15.174 1.00 11.75 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.413 -9.830  -13.355 1.00 11.95 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.238 -9.039  -12.327 1.00 11.96 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.257 -9.720  -10.953 1.00 13.71 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.793 -7.603  -12.230 1.00 13.64 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.230 -11.644 -13.186 1.00 12.66 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.690 -11.644 -13.422 1.00 13.97 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.394 -11.681 -12.080 1.00 15.60 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -39.100 -12.597 -11.291 1.00 15.29 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -39.061 -12.864 -14.260 1.00 18.36 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.513 -13.094 -14.422 1.00 22.00 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.295 -14.065 -13.846 1.00 21.90 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.367 -12.266 -15.194 1.00 22.18 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.577 -13.909 -14.259 1.00 23.29 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.657 -12.826 -15.089 1.00 20.55 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.169 -11.135 -15.981 1.00 21.50 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.754 -12.266 -15.716 1.00 25.73 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.264 -10.557 -16.574 1.00 25.41 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.532 -11.122 -16.455 1.00 24.92 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.266 -10.693 -11.811 1.00 14.74 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.077 -10.711 -10.565 1.00 15.31 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.195 -10.905 -9.359  1.00 16.11 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.544 -11.754 -8.472  1.00 17.66 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.194 -11.742 -10.691 1.00 16.87 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.136 -11.417 -11.845 1.00 17.85 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.416 -12.203 -11.895 1.00 19.97 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.374 -11.823 -12.612 1.00 22.13 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.454 -13.278 -11.128 1.00 18.15 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.161 -10.101 -9.235  1.00 16.24 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.336 -10.038 -8.013  1.00 22.07 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.564 -11.345 -7.779  1.00 21.78 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -37.005 -11.482 -6.688  1.00 28.85 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.266 -9.803  -6.815  1.00 26.61 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.675 -8.998  -5.700  1.00 37.31 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.641 -8.324  -5.917  1.00 44.51 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.289 -9.039  -4.610  1.00 53.63 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.465 -12.244 -8.747  1.00 17.60 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.551 -13.418 -8.601  1.00 18.96 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.602 -13.532 -9.803  1.00 16.55 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.969 -13.165 -10.962 1.00 15.85 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.325 -14.644 -8.275  1.00 24.81 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.946 -15.184 -9.400  1.00 33.55 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.394 -14.000 -9.545  1.00 14.21 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.389 -14.252 -10.609 1.00 13.05 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.352 -15.754 -10.866 1.00 12.62 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.346 -16.548 -9.912  1.00 13.44 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -32.021 -13.738 -10.180 1.00 12.70 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.965 -12.233 -9.949  1.00 12.92 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.222 -11.700 -8.703  1.00 14.53 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.604 -11.349 -10.946 1.00 12.04 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.135 -10.337 -8.466  1.00 15.08 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.557 -9.982  -10.729 1.00 13.45 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.793 -9.473  -9.475  1.00 14.77 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.799 -8.110  -9.249  1.00 15.33 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.331 -16.156 -12.140 0.25 12.72 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.356 -16.144 -12.145 0.25 12.54 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.300 -17.592 -12.520 0.25 13.32 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.351 -17.564 -12.582 0.25 13.01 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.398 -17.820 -13.737 0.25 12.00 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.285 -17.764 -13.670 0.25 11.68 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.340 -16.969 -14.636 0.25 12.12 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.932 -16.793 -14.371 0.25 11.30 ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.702 -18.110 -12.822 0.25 14.67 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.729 -17.975 -13.103 0.25 14.25 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.671 -17.938 -11.660 0.25 16.71 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.857 -17.820 -12.087 0.25 16.28 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.083 -18.364 -11.999 0.25 19.11 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -35.967 -18.970 -11.099 0.25 17.46 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.544 -18.021 -13.102 0.25 20.83 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.593 -20.103 -11.449 0.25 20.95 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.709 -19.048 -11.161 0.25 19.76 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.469 -18.734 -9.997  0.25 23.07 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.764 -18.993 -13.775 1.00 12.09 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -31.003 -19.439 -14.938 1.00 11.94 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.937 -20.184 -15.880 1.00 12.34 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.802 -20.989 -15.469 1.00 12.33 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.819 -20.311 -14.569 1.00 12.29 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.776 -19.926 -17.182 1.00 12.38 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.556 -20.503 -18.290 1.00 13.05 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.207 -21.945 -18.577 1.00 13.75 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.897 -22.286 -19.692 1.00 15.77 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.208 -22.809 -17.588 1.00 15.07 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.199 -24.262 -17.798 1.00 16.76 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.629 -24.746 -18.047 1.00 16.40 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.565 -23.957 -17.879 1.00 19.15 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.573 -24.888 -16.570 1.00 14.04 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.251 -24.437 -15.384 1.00 14.53 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.123 -24.581 -16.385 1.00 15.70 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.819 -26.027 -18.359 1.00 19.93 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.174 -26.587 -18.545 1.00 23.97 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.351 -27.764 -17.587 1.00 25.57 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.699 -28.791 -17.744 1.00 26.66 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.406 -26.994 -19.993 1.00 30.99 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.750 -27.447 -20.141 1.00 33.37 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.108 -27.617 -16.482 1.00 22.95 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.781 -26.382 -16.106 1.00 23.25 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.793 -25.390 -15.474 1.00 19.60 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.633 -25.739 -15.217 1.00 17.58 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.797 -26.842 -15.064 1.00 26.83 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.095 -27.993 -14.370 1.00 25.41 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.281 -28.678 -15.457 1.00 24.35 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.256 -24.170 -15.258 1.00 19.09 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.391 -23.055 -14.822 1.00 17.42 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.859 -23.298 -13.398 1.00 16.04 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.489 -24.018 -12.617 1.00 16.57 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.097 -21.707 -14.953 1.00 22.09 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.121 -21.400 -13.894 1.00 29.01 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.521 -21.646 -14.385 1.00 40.25 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.769 -22.521 -15.222 1.00 47.78 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.453 -20.900 -13.820 1.00 47.72 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.701 -22.723 -13.112 1.00 13.82 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -32.986 -22.905 -11.841 1.00 13.13 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -33.034 -21.600 -11.050 1.00 12.84 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.532 -20.566 -11.544 1.00 13.91 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.548 -23.385 -12.098 1.00 12.50 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.634 -24.611 -12.807 1.00 14.22 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.776 -23.578 -10.815 1.00 13.91 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.426 -21.660 -9.774  1.00 13.65 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.352 -20.521 -8.845  1.00 14.12 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.924 -20.047 -8.615  1.00 13.52 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -31.027 -20.895 -8.345  1.00 15.96 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -33.973 -20.971 -7.511  1.00 17.17 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.333 -21.262 -7.795  1.00 20.01 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.783 -19.952 -6.421  1.00 20.81 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.671 -18.742 -8.705  1.00 12.26 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.366 -18.141 -8.404  1.00 12.03 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.443 -17.548 -6.988  1.00 14.91 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.561 -17.227 -6.510  1.00 19.09 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.958 -17.075 -9.436  1.00 13.29 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.873 -17.594 -10.869 1.00 12.57 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.657 -16.479 -11.878 1.00 13.37 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.794 -18.666 -11.021 1.00 13.76 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.301 -17.444 -6.335  1.00 13.89 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.207 -16.969 -4.934  1.00 13.85 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.389 -15.701 -4.963  1.00 15.51 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.135 -15.771 -4.981  1.00 22.07 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.541 -18.074 -4.099  1.00 14.56 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.307 -19.355 -4.064  1.00 16.03 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -29.007 -20.440 -4.893  1.00 18.08 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.379 -19.724 -3.354  1.00 18.24 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.888 -21.407 -4.658  1.00 20.07 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.700 -21.023 -3.691  1.00 18.66 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -29.029 -14.565 -5.070  1.00 18.52 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.334 -13.257 -5.173  1.00 21.02 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.713 -12.412 -3.928  1.00 20.44 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.914 -12.150 -3.712  1.00 26.85 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.712 -12.603 -6.519  1.00 22.90 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.264 -13.473 -7.710  1.00 21.19 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -28.116 -11.199 -6.530  1.00 27.89 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.387 -12.811 -9.077  1.00 22.25 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.732 -12.078 -3.111  1.00 24.87 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.970 -11.262 -1.883  1.00 27.59 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.936 -9.762  -2.239  1.00 23.88 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.715 -8.997  -1.635  1.00 24.24 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.932 -11.681 -0.835  1.00 33.11 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -27.111 -11.029 0.537   1.00 45.90 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.481 -11.200 1.163   1.00 50.21 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -29.259 -12.095 0.828   1.00 54.74 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.801 -10.302 2.084   1.00 55.45 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.155 -9.378  -3.244  1.00 20.73 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -26.968 -7.943  -3.647  1.00 19.04 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.531 -7.751  -5.052  1.00 19.35 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.919 -8.255  -5.986  1.00 18.51 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.491 -7.549  -3.602  1.00 21.01 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.260 -6.121  -4.098  1.00 22.72 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -24.914 -7.699  -2.195  1.00 24.23 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.756 -7.219  -5.236  1.00 18.27 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.343 -7.107  -6.578  1.00 18.18 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.327 -6.442  -7.481  1.00 17.47 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.846 -5.359  -7.215  1.00 17.34 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.620 -6.264  -6.303  1.00 21.51 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -31.006 -6.704  -4.888  1.00 21.97 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.693 -6.762  -4.181  1.00 21.56 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.943 -7.055  -8.622  1.00 15.34 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.946 -6.462  -9.494  1.00 15.52 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.435 -5.256  -10.299 1.00 14.81 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.559 -5.300  -10.788 1.00 15.57 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.537 -7.626  -10.415 1.00 16.71 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.649 -8.600  -10.348 1.00 17.57 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.309 -8.428  -9.007  1.00 15.68 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.581 -4.249  -10.401 1.00 14.85 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.775 -3.118  -11.352 1.00 15.80 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.993 -3.383  -12.647 1.00 14.70 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.311 -2.816  -13.681 1.00 14.08 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.363 -1.771  -10.788 1.00 18.80 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.404 -1.334  -9.360  1.00 25.73 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.918 -4.190  -12.606 0.25 14.52 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -25.016 -4.293  -12.573 0.25 14.97 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.173 -4.600  -13.834 0.25 15.14 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.161 -4.658  -13.725 0.25 16.08 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.777 -6.076  -13.719 0.25 14.32 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.891 -6.163  -13.668 0.25 14.98 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.367 -6.504  -12.627 0.25 12.62 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.774 -6.735  -12.557 0.25 12.97 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.900 -3.792  -14.116 0.25 16.64 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.879 -3.829  -13.734 0.25 18.57 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -23.116 -2.306  -14.351 0.25 18.40 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.123 -2.360  -14.023 0.25 20.93 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -23.004 -1.547  -13.053 0.25 19.71 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.849 -1.581  -14.229 0.25 22.10 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.230 -1.918  -12.173 0.25 19.52 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.747 -2.127  -14.244 0.25 27.36 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.786 -0.483  -12.924 0.25 20.10 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -21.998 -0.282  -14.379 0.25 23.93 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.912 -6.787  -14.844 1.00 13.52 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.729 -8.251  -14.985 1.00 13.50 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.520 -8.416  -15.899 1.00 14.48 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.473 -7.827  -17.010 1.00 13.11 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.983 -8.889  -15.597 1.00 14.39 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.282 -8.714  -14.798 1.00 16.72 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.699 -10.358 -15.906 1.00 15.24 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.306 -9.463  -13.548 1.00 16.01 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.580 -9.277  -15.512 1.00 13.89 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.499 -9.724  -16.397 1.00 13.24 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.776 -11.096 -16.977 1.00 13.16 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.323 -11.946 -16.292 1.00 12.98 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.548 -11.234 -18.291 1.00 12.78 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.796 -12.497 -19.034 1.00 12.64 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.469 -12.982 -19.600 1.00 13.23 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.798 -12.229 -20.303 1.00 12.83 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.836 -12.269 -20.140 1.00 13.61 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.130 -11.769 -19.498 1.00 15.20 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.028 -13.530 -20.979 1.00 14.68 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.185 -11.393 -20.456 1.00 18.46 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.108 -14.198 -19.263 1.00 12.53 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.854 -14.849 -19.724 1.00 12.01 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.215 -16.094 -20.512 1.00 11.34 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.981 -16.960 -20.061 1.00 12.37 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -16.986 -15.270 -18.553 1.00 13.32 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.731 -16.024 -18.928 1.00 14.02 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.713 -15.397 -19.620 1.00 15.63 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.558 -17.340 -18.551 1.00 15.42 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.551 -16.093 -19.937 1.00 18.45 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.422 -18.054 -18.920 1.00 17.28 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.415 -17.416 -19.591 1.00 16.28 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.645 -16.205 -21.714 1.00 12.06 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.797 -17.395 -22.586 1.00 12.20 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.419 -18.000 -22.882 1.00 11.53 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.526 -17.314 -23.361 1.00 14.20 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.541 -17.066 -23.892 1.00 12.41 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.667 -18.307 -24.781 1.00 14.61 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.899 -16.451 -23.569 1.00 13.99 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.265 -19.279 -22.575 1.00 12.57 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.080 -20.075 -23.021 1.00 14.07 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.608 -21.087 -24.034 1.00 12.78 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.237 -22.105 -23.674 1.00 13.18 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.322 -20.666 -21.852 1.00 13.67 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.055 -21.414 -22.239 1.00 16.34 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.958 -21.867 -23.410 1.00 17.27 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.244 -21.585 -21.298 1.00 20.41 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.385 -20.801 -25.329 1.00 14.03 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.953 -21.629 -26.408 1.00 13.24 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.424 -23.074 -26.336 1.00 13.80 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.183 -24.013 -26.299 1.00 16.00 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.696 -21.009 -27.789 1.00 13.54 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.620 -21.605 -28.822 1.00 13.29 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.463 -22.904 -29.285 1.00 13.72 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.756 -20.926 -29.235 1.00 13.72 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.346 -23.467 -30.190 1.00 14.27 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.670 -21.490 -30.106 1.00 13.70 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.459 -22.764 -30.622 1.00 13.33 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.374 -23.392 -31.439 1.00 13.62 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.114 -23.213 -26.221 1.00 15.80 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.491 -24.562 -26.274 1.00 17.45 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.915 -25.367 -25.055 1.00 15.76 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.253 -26.563 -25.200 1.00 18.56 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.976 -24.454 -26.415 1.00 19.48 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.574 -24.336 -27.904 1.00 25.29 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.896 -22.978 -28.435 1.00 27.31 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.151 -22.858 -29.609 1.00 26.03 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.911 -22.026 -27.608 1.00 30.68 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.963 -24.759 -23.877 1.00 14.75 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.343 -25.440 -22.624 1.00 15.94 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.839 -25.746 -22.542 1.00 15.75 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.229 -26.609 -21.729 1.00 18.28 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.932 -24.607 -21.447 1.00 16.62 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.675 -25.092 -23.341 1.00 13.39 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.125 -25.237 -23.263 1.00 12.45 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.681 -24.613 -21.965 1.00 12.26 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.456 -25.318 -21.274 1.00 13.58 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.284 -23.378 -21.656 1.00 12.53 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.650 -22.685 -20.379 1.00 12.71 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.276 -21.325 -20.704 1.00 12.29 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.704 -20.533 -21.493 1.00 13.30 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.407 -22.532 -19.492 1.00 14.04 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.697 -21.592 -18.321 1.00 14.86 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.927 -23.890 -19.025 1.00 14.96 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.370 -21.008 -20.018 1.00 11.94 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.924 -19.623 -19.959 1.00 10.90 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.123 -19.276 -18.465 1.00 10.73 ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.890 -19.996 -17.797 1.00 12.41 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.255 -19.505 -20.728 1.00 11.07 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.710 -18.038 -20.738 1.00 11.20 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.119 -20.024 -22.145 1.00 11.60 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.476 -18.230 -18.001 1.00 10.64 ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.572 -17.827 -16.588 1.00 11.68 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -21.062 -16.382 -16.494 1.00 11.49 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.741 -15.535 -17.337 1.00 12.12 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.223 -17.968 -15.919 1.00 12.01 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.855 -19.347 -15.790 1.00 12.83 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.757 -16.117 -15.410 1.00 10.94 ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.373 -14.811 -15.098 1.00 11.15 ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.837 -14.339 -13.755 1.00 11.22 ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.863 -15.133 -12.752 1.00 11.90 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.915 -14.897 -15.099 1.00 10.86 ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.489 -15.306 -16.428 1.00 10.61 ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.558 -16.654 -16.789 1.00 10.29 ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -25.006 -14.345 -17.291 1.00 10.72 ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -25.041 -17.020 -18.036 1.00 10.87 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.482 -14.725 -18.545 1.00 10.10 ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.546 -16.061 -18.885 1.00 10.15 ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.500 -13.055 -13.703 1.00 11.84 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.869 -12.440 -12.508 1.00 13.25 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.648 -11.195 -12.078 1.00 14.22 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.135 -10.409 -12.890 1.00 14.48 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.387 -12.145 -12.750 1.00 13.67 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.580 -13.387 -13.045 1.00 14.20 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.088 -14.159 -12.019 1.00 14.87 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.392 -13.842 -14.342 1.00 15.31 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.391 -15.328 -12.274 1.00 14.98 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.702 -15.009 -14.618 1.00 15.65 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.164 -15.739 -13.580 1.00 15.35 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.510 -16.925 -13.843 1.00 16.97 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.690 -10.961 -10.769 1.00 14.82 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.378 -9.788  -10.158 1.00 14.50 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.342 -8.675  -9.973  1.00 14.78 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.595 -8.700  -8.959  1.00 16.13 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -23.028 -10.229 -8.845  1.00 14.19 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.847 -9.136  -8.175  1.00 14.73 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.663 -7.964  -8.524  1.00 16.50 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.718 -9.523  -7.281  1.00 15.83 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.275 -7.679  -10.843 1.00 15.64 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.199 -6.665  -10.813 1.00 16.30 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.452 -5.800  -9.568  1.00 18.65 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.481 -5.334  -8.964  1.00 19.75 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.186 -5.878  -12.125 1.00 17.83 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -20.024 -6.767  -13.363 1.00 19.05 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.144 -4.767  -12.104 1.00 19.52 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.979 -7.841  -13.214 1.00 23.24 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.706 -5.593  -9.195  1.00 17.40 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.089 -4.729  -8.029  1.00 18.05 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.563 -5.355  -6.734  1.00 21.79 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.147 -4.583  -5.816  1.00 24.43 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.618 -4.594  -7.963  1.00 17.07 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -24.042 -4.135  -9.247  1.00 17.32 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -24.028 -3.597  -6.905  1.00 19.87 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.518 -6.685  -6.655  1.00 19.74 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -21.000 -7.448  -5.479  1.00 20.14 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.570 -7.976  -5.725  1.00 20.67 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.358 -9.181  -5.587  1.00 21.31 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -22.010 -8.495  -5.107  1.00 19.28 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.633 -9.285  -3.875  1.00 23.87 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.164 -8.641  -2.910  1.00 25.01 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.788 -10.533 -3.914  1.00 23.93 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.629 -7.114  -6.106  1.00 23.17 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.185 -7.458  -6.237  1.00 27.39 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -17.018 -8.663  -7.179  1.00 25.91 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -16.095 -9.458  -6.994  1.00 27.07 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.546 -7.830  -4.889  1.00 31.23 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.852 -6.955  -3.710  1.00 39.20 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.251 -5.722  -3.521  1.00 46.03 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.634 -7.170  -2.626  1.00 43.27 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.685 -5.192  -2.389  1.00 48.61 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.535 -6.064  -1.818  1.00 45.06 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.886 -8.831  -8.173  1.00 20.50 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.618 -9.849  -9.203  1.00 17.29 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -18.050 -11.235 -8.784  1.00 16.30 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.522 -12.153 -9.354  1.00 16.24 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.881 -11.395 -7.775  1.00 15.45 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.242 -12.722 -7.237  1.00 13.91 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.928 -13.570 -8.306  1.00 15.49 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.704 -13.037 -9.131  1.00 14.59 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.076 -12.611 -6.002  1.00 15.58 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.284 -11.873 -6.157  1.00 16.71 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.714 -14.860 -8.284  1.00 14.49 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.361 -15.748 -9.280  1.00 14.12 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.862 -15.801 -9.061  1.00 12.70 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.370 -16.042 -7.934  1.00 13.78 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.764 -17.153 -9.168  1.00 13.56 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.307 -18.209 -10.142 1.00 13.52 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.937 -17.919 -11.581 1.00 13.95 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.743 -19.601 -9.744  1.00 15.04 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.610 -15.682 -10.161 1.00 11.31 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.063 -15.884 -10.195 1.00 12.26 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.386 -17.311 -10.642 1.00 11.45 ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.229 -17.995 -10.045 1.00 12.28 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.764 -14.826 -11.077 1.00 12.90 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.595 -13.434 -10.483 1.00 13.28 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.241 -15.163 -11.251 1.00 12.96 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -25.045 -12.310 -11.400 1.00 14.59 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.838 -17.725 -11.790 1.00 11.03 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.227 -19.027 -12.365 1.00 10.60 ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.180 -19.415 -13.418 1.00 10.94 ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.696 -18.548 -14.171 1.00 11.03 ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.597 -18.957 -13.093 1.00 11.46 ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.133 -20.306 -13.443 1.00 10.85 ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.756 -21.115 -12.491 1.00 11.49 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -26.003 -20.820 -14.725 1.00 11.05 ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.184 -22.391 -12.786 1.00 12.28 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.452 -22.093 -15.024 1.00 11.59 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -27.031 -22.885 -14.065 1.00 12.20 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.435 -24.163 -14.330 1.00 14.79 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.921 -20.714 -13.512 1.00 10.69 ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.075 -21.326 -14.566 1.00 11.63 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.858 -22.425 -15.271 1.00 11.60 ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.231 -23.433 -14.676 1.00 12.75 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.754 -21.873 -13.996 1.00 12.35 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.966 -20.747 -13.618 1.00 12.40 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.986 -22.673 -15.032 1.00 13.90 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.059 -22.268 -16.588 1.00 11.70 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.447 -23.376 -17.498 1.00 11.55 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.156 -24.079 -17.939 1.00 12.74 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.276 -23.425 -18.490 1.00 12.57 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.128 -22.856 -18.761 1.00 11.64 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.493 -22.258 -18.599 1.00 9.95  ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.644 -20.896 -18.357 1.00 10.09 ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.620 -23.022 -18.806 1.00 10.74 ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.909 -20.356 -18.270 1.00 10.95 ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.888 -22.462 -18.731 1.00 11.03 ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -28.010 -21.129 -18.467 1.00 10.48 ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.049 -25.362 -17.634 1.00 13.36 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.889 -26.133 -18.099 1.00 14.68 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.380 -27.293 -18.964 1.00 13.31 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.582 -27.572 -19.050 1.00 15.69 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.074 -26.562 -16.901 1.00 16.58 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.763 -27.524 -16.158 1.00 20.27 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.420 -27.940 -19.647 1.00 15.86 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.758 -29.025 -20.615 1.00 17.63 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.711 -28.468 -21.691 1.00 16.07 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.654 -29.192 -22.145 1.00 18.27 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.396 -30.229 -19.937 1.00 21.55 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.667 -30.752 -18.724 1.00 27.23 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.342 -32.052 -18.328 1.00 38.01 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.435 -31.999 -17.717 1.00 41.78 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -20.850 -33.106 -18.759 1.00 47.33 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.511 -27.208 -22.092 1.00 15.12 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.421 -26.598 -23.081 1.00 13.41 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.172 -27.221 -24.463 1.00 15.04 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.963 -27.420 -24.812 1.00 16.89 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.229 -25.092 -23.224 1.00 13.39 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.633 -24.140 -21.724 1.00 14.13 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.239 -27.467 -25.194 1.00 14.56 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.109 -27.961 -26.586 1.00 15.98 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.541 -26.814 -27.494 1.00 14.11 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.716 -26.713 -27.890 1.00 16.63 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.873 -29.291 -26.748 1.00 18.69 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.746 -29.745 -28.210 1.00 18.37 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.334 -30.346 -25.787 1.00 19.83 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.621 -25.913 -27.827 1.00 13.07 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.948 -24.677 -28.578 1.00 13.84 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.499 -25.038 -29.962 1.00 16.08 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.511 -24.459 -30.384 1.00 16.02 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.768 -23.722 -28.569 1.00 13.88 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.345 -23.234 -27.196 1.00 12.43 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.280 -22.717 -26.304 1.00 13.18 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -20.011 -23.243 -26.836 1.00 15.18 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.877 -22.232 -25.066 1.00 13.43 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.606 -22.751 -25.614 1.00 14.94 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.537 -22.252 -24.735 1.00 13.81 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.825 -25.949 -30.662 1.00 14.00 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.317 -26.501 -31.947 1.00 14.26 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.423 -25.415 -33.024 1.00 15.24 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.215 -25.600 -34.004 1.00 16.30 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.587 -27.258 -31.775 1.00 14.73 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.652 -24.355 -32.939 1.00 15.07 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.631 -23.284 -33.937 1.00 15.77 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.974 -22.022 -33.437 1.00 14.18 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.554 -21.959 -32.257 1.00 14.18 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.867 -20.999 -34.265 1.00 13.47 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.397 -19.696 -33.827 1.00 12.92 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.353 -19.136 -32.758 1.00 13.07 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.555 -19.390 -32.808 1.00 13.61 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.393 -18.797 -35.067 1.00 13.49 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.507 -19.798 -36.238 1.00 13.62 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.237 -20.980 -35.692 1.00 12.73 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.772 -18.392 -31.821 1.00 13.23 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.559 -17.766 -30.715 1.00 12.47 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.684 -16.270 -30.965 1.00 13.21 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.730 -15.614 -31.408 1.00 13.46 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.879 -17.988 -29.369 1.00 13.22 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.888 -19.427 -28.863 1.00 13.24 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.058 -19.487 -27.601 1.00 15.36 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.322 -19.907 -28.586 1.00 13.48 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.806 -15.697 -30.544 1.00 11.83 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -24.037 -14.248 -30.548 1.00 12.19 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.447 -13.778 -29.157 1.00 10.95 ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.233 -14.461 -28.493 1.00 11.67 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.103 -13.896 -31.588 1.00 13.19 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.587 -14.236 -32.992 1.00 15.44 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.482 -13.856 -34.128 1.00 18.34 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.553 -12.408 -34.213 1.00 16.65 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.272 -11.785 -35.124 1.00 17.04 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.874 -12.488 -36.049 1.00 17.24 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.327 -10.472 -35.135 1.00 16.18 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -23.999 -12.577 -28.742 1.00 11.23 ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.530 -11.984 -27.500 1.00 10.54 ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -26.050 -11.830 -27.654 1.00 10.67 ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.546 -11.482 -28.730 1.00 11.06 ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.847 -10.620 -27.412 1.00 11.26 ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.547 -10.813 -28.224 1.00 12.95 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.990 -11.697 -29.366 1.00 12.67 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.783 -12.085 -26.561 1.00 10.21 ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.260 -12.116 -26.545 1.00 10.15 ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.788 -11.169 -25.468 1.00 9.42  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.292 -11.166 -24.310 1.00 9.77  ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.750 -13.533 -26.307 1.00 10.46 ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.248 -13.637 -26.123 1.00 11.22 ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.103 -13.607 -27.217 1.00 11.72 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.823 -13.670 -24.854 1.00 12.13 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.481 -13.693 -27.039 1.00 12.00 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.200 -13.719 -24.688 1.00 11.28 ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -33.023 -13.732 -25.779 1.00 12.33 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.865 -10.436 -25.783 1.00 10.19 ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.464 -9.419  -24.891 1.00 9.99  ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.984 -9.491  -24.995 1.00 10.77 ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.510 -9.546  -26.123 1.00 10.85 ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -30.020 -7.995  -25.278 1.00 10.61 ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.519 -7.838  -25.399 1.00 10.80 ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.867 -8.153  -26.581 1.00 10.71 ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.742 -7.400  -24.330 1.00 12.09 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.477 -8.092  -26.699 1.00 10.91 ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.369 -7.260  -24.474 1.00 12.06 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.733 -7.634  -25.655 1.00 12.30 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.655 -9.273  -23.888 1.00 10.97 ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.117 -9.045  -23.854 1.00 10.32 ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.340 -7.892  -22.878 1.00 10.60 ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -34.037 -8.064  -21.693 1.00 11.24 ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.900 -10.281 -23.428 1.00 10.37 ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.401 -10.093 -23.523 1.00 12.45 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.897 -9.018  -23.816 1.00 13.35 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.131 -11.174 -23.332 1.00 13.87 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.868 -6.755  -23.350 1.00 10.79 ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.122 -5.598  -22.445 1.00 11.03 ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.377 -5.821  -21.587 1.00 12.13 ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.634 -4.985  -20.699 1.00 12.90 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.210 -4.254  -23.198 1.00 12.45 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.894 -3.929  -23.863 1.00 13.24 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.349 -4.227  -24.217 1.00 12.40 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.189 -6.820  -21.946 1.00 12.40 ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.478 -7.082  -21.285 1.00 13.10 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.581 -6.140  -21.696 1.00 12.92 ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.345 -5.084  -22.289 1.00 12.38 ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.816 -6.581  -21.446 1.00 13.61 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -42.017 -5.737  -21.647 1.00 13.13 ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -42.053 -4.658  -20.590 1.00 12.53 ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.341 -4.701  -19.592 1.00 11.63 ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.295 -6.581  -21.683 1.00 13.75 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.422 -7.474  -22.890 1.00 15.25 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.809 -6.983  -24.126 1.00 17.58 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.169 -8.833  -22.784 1.00 16.07 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.881 -7.822  -25.242 1.00 17.83 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.277 -9.656  -23.895 1.00 17.93 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.676 -9.162  -25.087 1.00 18.12 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.927 -3.698  -20.807 1.00 12.50 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.111 -2.599  -19.825 1.00 11.62 ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.628 -2.413  -19.635 1.00 12.17 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.147 -1.262  -19.688 1.00 13.99 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.453 -1.318  -20.296 1.00 12.57 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.496 -0.217  -19.266 1.00 12.54 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.523 -0.461  -18.068 1.00 12.71 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.465 1.026   -19.725 1.00 14.54 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.304 -3.463  -19.254 1.00 12.93 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.752 -3.394  -18.887 1.00 12.24 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.907 -2.561  -17.629 1.00 13.04 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.990 -1.931  -17.419 1.00 14.18 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.314 -4.806  -18.676 1.00 12.88 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.388 -5.658  -19.906 1.00 15.25 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.368 -5.429  -20.856 1.00 18.79 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.560 -6.752  -20.067 1.00 18.22 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.421 -6.164  -22.036 1.00 20.21 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.622 -7.515  -21.238 1.00 18.07 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.564 -7.236  -22.201 1.00 19.93 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.627 -8.029  -23.332 1.00 26.37 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.955 -2.581  -16.703 1.00 12.30 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -46.061 -1.981  -15.351 1.00 13.60 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.760 -0.478  -15.381 1.00 13.41 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -46.052 0.184   -14.366 1.00 15.35 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -45.112 -2.618  -14.398 1.00 13.95 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.757 -2.361  -14.810 1.00 14.38 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.085 0.023   -16.416 1.00 12.33 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.554 1.399   -16.363 1.00 12.81 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.309 1.514   -15.526 1.00 14.17 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.798 2.624   -15.406 1.00 16.35 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.791 0.410   -14.970 1.00 13.37 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.577 0.435   -14.145 1.00 12.79 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.362 -0.212  -14.831 1.00 13.87 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.308 -0.307  -14.159 1.00 14.81 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.489 -0.609  -16.085 1.00 11.83 ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.390 -1.307  -16.782 1.00 11.85 ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.938 -0.602  -18.068 1.00 11.73 ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.408 -1.279  -18.957 1.00 12.89 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.776 -2.752  -17.102 1.00 11.23 ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.570 -3.623  -17.390 1.00 11.60 ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.530 -3.440  -16.785 1.00 12.00 ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.738 -4.536  -18.332 1.00 11.71 ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -39.030 0.718   -18.129 1.00 12.36 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.652 1.457   -19.361 1.00 13.27 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.130 1.573   -19.526 1.00 12.96 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.702 1.854   -20.666 1.00 15.03 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.278 2.850   -19.346 1.00 13.16 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.374 1.423   -18.450 1.00 13.57 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.921 1.726   -18.506 1.00 13.13 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.217 0.827   -19.529 1.00 14.04 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.609 -0.313  -19.787 1.00 12.72 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.296 1.592   -17.154 1.00 13.03 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.127 1.327   -20.138 1.00 12.67 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.389 0.569   -21.142 1.00 12.53 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.467 -0.526  -20.561 1.00 11.59 ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.143 -0.493  -19.381 1.00 12.41 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.499 1.652   -21.777 1.00 13.49 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.226 2.600   -20.651 1.00 15.12 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.572 2.675   -19.918 1.00 14.47 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.090 -1.482  -21.406 1.00 12.29 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.848 -2.247  -21.240 1.00 11.95 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.709 -1.432  -21.866 1.00 11.80 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.880 -0.946  -23.025 1.00 13.95 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -30.002 -3.609  -21.886 1.00 12.29 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -31.019 -4.563  -21.250 1.00 12.84 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.136 -5.841  -22.062 1.00 13.82 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.670 -4.908  -19.802 1.00 14.15 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.561 -1.351  -21.187 1.00 12.62 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.394 -0.620  -21.732 1.00 12.91 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.176 -1.511  -21.706 1.00 14.00 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.854 -2.030  -20.622 1.00 13.95 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.111 0.668   -20.949 1.00 15.29 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.285 1.578   -20.690 1.00 18.46 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.841 2.881   -20.051 1.00 22.19 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.973 3.828   -19.738 1.00 26.78 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.464 4.986   -18.951 1.00 33.20 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.450 -1.556  -22.792 1.00 14.07 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.113 -2.221  -22.800 1.00 14.09 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.109 -1.271  -22.153 1.00 16.28 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.968 -0.132  -22.644 1.00 19.67 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.746 -2.620  -24.233 1.00 14.48 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.490 -3.872  -24.702 1.00 15.72 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.701 -3.953  -26.204 1.00 19.91 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.840 -5.145  -24.144 1.00 14.11 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.475 -1.713  -21.070 1.00 16.50 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.567 -0.865  -20.245 1.00 19.18 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.197 -0.792  -20.876 1.00 22.47 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.706 -1.774  -21.402 1.00 22.02 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.248 -1.481  -18.902 1.00 21.39 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.674 -2.041  -17.984 1.00 22.69 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.531 0.371   -20.750 1.00 26.43 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.204 0.559   -21.292 1.00 31.16 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.224 -0.387  -20.603 1.00 30.62 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.390 -0.637  -19.414 1.00 32.96 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.922 2.047   -20.992 1.00 30.79 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.837 2.416   -19.855 1.00 31.38 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -19.066 1.580   -20.101 1.00 28.37 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.278 -0.854  -21.419 1.00 35.97 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -14.013 -1.582  -21.131 1.00 40.05 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.060 -0.698  -20.328 1.00 42.63 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.339 -1.250  -19.488 1.00 48.17 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.375 -1.935  -22.482 1.00 40.78 ? 192 LEU   B CB  1 
HETATM 1567 C C1  . EDO   B 2 .   ? -45.697 -3.435  -22.957 1.00 27.28 ? 201 EDO   B C1  1 
HETATM 1568 O O1  . EDO   B 2 .   ? -44.334 -3.195  -23.220 1.00 21.23 ? 201 EDO   B O1  1 
HETATM 1569 C C2  . EDO   B 2 .   ? -46.511 -4.121  -23.996 1.00 35.50 ? 201 EDO   B C2  1 
HETATM 1570 O O2  . EDO   B 2 .   ? -46.347 -3.559  -25.282 1.00 41.61 ? 201 EDO   B O2  1 
HETATM 1571 N N1  . A1BFW C 3 .   ? -43.447 -16.077 -39.167 0.66 28.05 ? 202 A1BFW B N1  1 
HETATM 1572 N N3  . A1BFW C 3 .   ? -41.739 -12.965 -41.236 0.66 33.13 ? 202 A1BFW B N3  1 
HETATM 1573 C C4  . A1BFW C 3 .   ? -42.111 -15.248 -40.646 0.66 31.23 ? 202 A1BFW B C4  1 
HETATM 1574 C C5  . A1BFW C 3 .   ? -41.327 -14.225 -41.379 0.66 34.61 ? 202 A1BFW B C5  1 
HETATM 1575 C C6  . A1BFW C 3 .   ? -40.920 -11.833 -41.641 0.66 34.72 ? 202 A1BFW B C6  1 
HETATM 1576 C C7  . A1BFW C 3 .   ? -41.558 -11.046 -42.752 0.66 34.67 ? 202 A1BFW B C7  1 
HETATM 1577 C C8  . A1BFW C 3 .   ? -41.221 -9.679  -43.302 0.66 34.44 ? 202 A1BFW B C8  1 
HETATM 1578 C C10 . A1BFW C 3 .   ? -41.138 -11.454 -44.875 0.66 36.47 ? 202 A1BFW B C10 1 
HETATM 1579 C C1  . A1BFW C 3 .   ? -44.356 -16.060 -38.029 0.66 27.67 ? 202 A1BFW B C1  1 
HETATM 1580 C C2  . A1BFW C 3 .   ? -43.027 -17.124 -39.916 0.66 30.49 ? 202 A1BFW B C2  1 
HETATM 1581 C C3  . A1BFW C 3 .   ? -42.176 -16.629 -40.860 0.66 30.56 ? 202 A1BFW B C3  1 
HETATM 1582 C C9  . A1BFW C 3 .   ? -40.829 -9.997  -44.714 0.66 35.68 ? 202 A1BFW B C9  1 
HETATM 1583 N N2  . A1BFW C 3 .   ? -42.889 -14.917 -39.606 0.66 30.96 ? 202 A1BFW B N2  1 
HETATM 1584 O O1  . A1BFW C 3 .   ? -40.315 -14.530 -42.023 0.66 36.37 ? 202 A1BFW B O1  1 
HETATM 1585 O O2  . A1BFW C 3 .   ? -41.978 -11.842 -43.789 0.66 37.90 ? 202 A1BFW B O2  1 
HETATM 1586 N N1  . EPE   D 4 .   ? -38.971 -15.552 -19.742 1.00 40.11 ? 203 EPE   B N1  1 
HETATM 1587 C C2  . EPE   D 4 .   ? -38.186 -15.246 -18.533 1.00 36.22 ? 203 EPE   B C2  1 
HETATM 1588 C C3  . EPE   D 4 .   ? -38.271 -13.793 -18.133 1.00 33.18 ? 203 EPE   B C3  1 
HETATM 1589 N N4  . EPE   D 4 .   ? -37.882 -12.909 -19.239 1.00 32.17 ? 203 EPE   B N4  1 
HETATM 1590 C C5  . EPE   D 4 .   ? -38.741 -13.184 -20.391 1.00 36.99 ? 203 EPE   B C5  1 
HETATM 1591 C C6  . EPE   D 4 .   ? -38.597 -14.623 -20.823 1.00 39.49 ? 203 EPE   B C6  1 
HETATM 1592 C C7  . EPE   D 4 .   ? -37.932 -11.504 -18.840 1.00 32.19 ? 203 EPE   B C7  1 
HETATM 1593 C C8  . EPE   D 4 .   ? -39.159 -10.758 -19.305 1.00 34.98 ? 203 EPE   B C8  1 
HETATM 1594 O O8  . EPE   D 4 .   ? -39.097 -10.407 -20.677 1.00 28.18 ? 203 EPE   B O8  1 
HETATM 1595 C C9  . EPE   D 4 .   ? -38.711 -16.934 -20.173 1.00 42.49 ? 203 EPE   B C9  1 
HETATM 1596 C C10 . EPE   D 4 .   ? -39.899 -17.876 -20.016 1.00 43.22 ? 203 EPE   B C10 1 
HETATM 1597 S S   . EPE   D 4 .   ? -39.511 -19.520 -20.575 1.00 43.81 ? 203 EPE   B S   1 
HETATM 1598 O O1S . EPE   D 4 .   ? -39.734 -20.382 -19.446 1.00 41.58 ? 203 EPE   B O1S 1 
HETATM 1599 O O2S . EPE   D 4 .   ? -38.185 -19.439 -21.135 1.00 34.83 ? 203 EPE   B O2S 1 
HETATM 1600 O O3S . EPE   D 4 .   ? -40.592 -19.713 -21.689 1.00 40.90 ? 203 EPE   B O3S 1 
HETATM 1601 C C1  . EDO   E 2 .   ? -50.682 -16.826 -33.156 1.00 36.70 ? 204 EDO   B C1  1 
HETATM 1602 O O1  . EDO   E 2 .   ? -49.307 -16.482 -33.077 1.00 29.08 ? 204 EDO   B O1  1 
HETATM 1603 C C2  . EDO   E 2 .   ? -51.252 -17.153 -31.850 1.00 37.52 ? 204 EDO   B C2  1 
HETATM 1604 O O2  . EDO   E 2 .   ? -51.393 -15.981 -31.089 1.00 45.63 ? 204 EDO   B O2  1 
HETATM 1605 S S   . SO4   F 5 .   ? -40.469 -24.666 -26.270 1.00 40.35 ? 205 SO4   B S   1 
HETATM 1606 O O1  . SO4   F 5 .   ? -39.729 -23.707 -27.034 1.00 26.34 ? 205 SO4   B O1  1 
HETATM 1607 O O2  . SO4   F 5 .   ? -41.413 -25.327 -27.113 1.00 44.73 ? 205 SO4   B O2  1 
HETATM 1608 O O3  . SO4   F 5 .   ? -39.552 -25.638 -25.716 1.00 44.50 ? 205 SO4   B O3  1 
HETATM 1609 O O4  . SO4   F 5 .   ? -41.175 -24.014 -25.180 1.00 42.27 ? 205 SO4   B O4  1 
HETATM 1610 O O   . HOH   G 6 .   ? -26.907 -28.514 -27.864 1.00 24.13 ? 301 HOH   B O   1 
HETATM 1611 O O   . HOH   G 6 .   ? -45.731 3.693   -34.125 1.00 21.68 ? 302 HOH   B O   1 
HETATM 1612 O O   . HOH   G 6 .   ? -22.787 -1.829  -9.770  1.00 26.70 ? 303 HOH   B O   1 
HETATM 1613 O O   . HOH   G 6 .   ? -38.656 -15.365 -11.762 1.00 36.75 ? 304 HOH   B O   1 
HETATM 1614 O O   . HOH   G 6 .   ? -40.186 -1.236  -9.785  1.00 29.05 ? 305 HOH   B O   1 
HETATM 1615 O O   . HOH   G 6 .   ? -13.523 -23.567 -31.582 1.00 16.13 ? 306 HOH   B O   1 
HETATM 1616 O O   . HOH   G 6 .   ? -45.090 7.327   -24.671 1.00 39.91 ? 307 HOH   B O   1 
HETATM 1617 O O   . HOH   G 6 .   ? -41.373 -7.947  -3.631  1.00 52.94 ? 308 HOH   B O   1 
HETATM 1618 O O   . HOH   G 6 .   ? -38.125 2.727   -22.733 1.00 19.39 ? 309 HOH   B O   1 
HETATM 1619 O O   . HOH   G 6 .   ? -29.653 -12.522 -37.733 1.00 21.75 ? 310 HOH   B O   1 
HETATM 1620 O O   . HOH   G 6 .   ? -47.212 1.464   -25.645 1.00 33.74 ? 311 HOH   B O   1 
HETATM 1621 O O   . HOH   G 6 .   ? -18.740 -22.030 -35.779 1.00 17.31 ? 312 HOH   B O   1 
HETATM 1622 O O   . HOH   G 6 .   ? -15.633 -5.417  -13.669 1.00 30.51 ? 313 HOH   B O   1 
HETATM 1623 O O   . HOH   G 6 .   ? -24.545 -30.951 -21.976 1.00 36.72 ? 314 HOH   B O   1 
HETATM 1624 O O   . HOH   G 6 .   ? -40.008 -11.661 -22.758 1.00 31.45 ? 315 HOH   B O   1 
HETATM 1625 O O   . HOH   G 6 .   ? -38.430 0.545   -11.866 1.00 35.97 ? 316 HOH   B O   1 
HETATM 1626 O O   . HOH   G 6 .   ? -35.973 -22.534 -19.554 1.00 25.77 ? 317 HOH   B O   1 
HETATM 1627 O O   . HOH   G 6 .   ? -33.009 1.087   -33.479 1.00 20.73 ? 318 HOH   B O   1 
HETATM 1628 O O   . HOH   G 6 .   ? -35.434 -17.196 -8.139  1.00 45.55 ? 319 HOH   B O   1 
HETATM 1629 O O   . HOH   G 6 .   ? -37.092 0.859   -15.528 1.00 16.52 ? 320 HOH   B O   1 
HETATM 1630 O O   . HOH   G 6 .   ? -45.513 0.091   -11.792 1.00 22.43 ? 321 HOH   B O   1 
HETATM 1631 O O   . HOH   G 6 .   ? -38.810 -16.408 -40.956 1.00 41.18 ? 322 HOH   B O   1 
HETATM 1632 O O   . HOH   G 6 .   ? -35.834 -19.236 -30.485 1.00 33.24 ? 323 HOH   B O   1 
HETATM 1633 O O   . HOH   G 6 .   ? -36.938 -16.364 -39.371 1.00 26.10 ? 324 HOH   B O   1 
HETATM 1634 O O   . HOH   G 6 .   ? -16.226 -19.645 -15.698 1.00 25.58 ? 325 HOH   B O   1 
HETATM 1635 O O   . HOH   G 6 .   ? -21.109 -6.106  -2.128  1.00 43.89 ? 326 HOH   B O   1 
HETATM 1636 O O   . HOH   G 6 .   ? -30.855 -6.717  -11.307 1.00 15.42 ? 327 HOH   B O   1 
HETATM 1637 O O   . HOH   G 6 .   ? -49.801 -1.759  -19.358 1.00 26.85 ? 328 HOH   B O   1 
HETATM 1638 O O   . HOH   G 6 .   ? -9.034  -13.546 -25.206 1.00 34.85 ? 329 HOH   B O   1 
HETATM 1639 O O   . HOH   G 6 .   ? -25.991 -22.672 -35.867 1.00 30.82 ? 330 HOH   B O   1 
HETATM 1640 O O   . HOH   G 6 .   ? -26.301 3.388   -35.309 1.00 31.60 ? 331 HOH   B O   1 
HETATM 1641 O O   . HOH   G 6 .   ? -42.347 -11.440 -38.644 1.00 23.16 ? 332 HOH   B O   1 
HETATM 1642 O O   . HOH   G 6 .   ? -12.710 -21.353 -18.671 1.00 28.97 ? 333 HOH   B O   1 
HETATM 1643 O O   . HOH   G 6 .   ? -19.423 -29.775 -15.568 1.00 29.81 ? 334 HOH   B O   1 
HETATM 1644 O O   . HOH   G 6 .   ? -47.158 -17.031 -31.563 1.00 19.47 ? 335 HOH   B O   1 
HETATM 1645 O O   . HOH   G 6 .   ? -45.147 -12.381 -26.447 1.00 32.29 ? 336 HOH   B O   1 
HETATM 1646 O O   . HOH   G 6 .   ? -36.789 -26.043 -23.741 1.00 34.56 ? 337 HOH   B O   1 
HETATM 1647 O O   . HOH   G 6 .   ? -36.551 -23.111 -30.784 1.00 34.61 ? 338 HOH   B O   1 
HETATM 1648 O O   . HOH   G 6 .   ? -17.638 -21.375 -12.405 1.00 18.26 ? 339 HOH   B O   1 
HETATM 1649 O O   . HOH   G 6 .   ? -13.609 -20.970 -35.171 1.00 31.54 ? 340 HOH   B O   1 
HETATM 1650 O O   . HOH   G 6 .   ? -23.966 1.137   -10.767 1.00 33.99 ? 341 HOH   B O   1 
HETATM 1651 O O   . HOH   G 6 .   ? -43.096 -15.369 -10.065 1.00 24.46 ? 342 HOH   B O   1 
HETATM 1652 O O   . HOH   G 6 .   ? -37.405 -25.499 -11.399 1.00 36.28 ? 343 HOH   B O   1 
HETATM 1653 O O   . HOH   G 6 .   ? -9.538  -18.423 -30.509 1.00 47.04 ? 344 HOH   B O   1 
HETATM 1654 O O   . HOH   G 6 .   ? -11.001 -21.168 -25.159 1.00 28.96 ? 345 HOH   B O   1 
HETATM 1655 O O   . HOH   G 6 .   ? -38.833 -2.492  -21.352 1.00 14.99 ? 346 HOH   B O   1 
HETATM 1656 O O   . HOH   G 6 .   ? -38.386 3.765   -42.109 1.00 30.70 ? 347 HOH   B O   1 
HETATM 1657 O O   . HOH   G 6 .   ? -19.458 -4.309  -22.057 1.00 15.77 ? 348 HOH   B O   1 
HETATM 1658 O O   . HOH   G 6 .   ? -27.218 -20.326 -6.945  1.00 18.04 ? 349 HOH   B O   1 
HETATM 1659 O O   . HOH   G 6 .   ? -41.860 1.434   -22.576 1.00 32.71 ? 350 HOH   B O   1 
HETATM 1660 O O   . HOH   G 6 .   ? -34.142 -22.037 -31.360 1.00 19.05 ? 351 HOH   B O   1 
HETATM 1661 O O   . HOH   G 6 .   ? -18.550 -4.634  -24.718 1.00 17.79 ? 352 HOH   B O   1 
HETATM 1662 O O   . HOH   G 6 .   ? -17.581 -27.623 -19.587 1.00 19.01 ? 353 HOH   B O   1 
HETATM 1663 O O   . HOH   G 6 .   ? -30.846 -20.366 -21.330 1.00 12.67 ? 354 HOH   B O   1 
HETATM 1664 O O   . HOH   G 6 .   ? -26.584 1.959   -11.086 1.00 25.35 ? 355 HOH   B O   1 
HETATM 1665 O O   . HOH   G 6 .   ? -38.597 -7.667  -10.757 1.00 16.93 ? 356 HOH   B O   1 
HETATM 1666 O O   . HOH   G 6 .   ? -30.783 1.055   -17.052 1.00 23.40 ? 357 HOH   B O   1 
HETATM 1667 O O   . HOH   G 6 .   ? -16.778 -5.635  -9.340  1.00 32.70 ? 358 HOH   B O   1 
HETATM 1668 O O   . HOH   G 6 .   ? -32.855 -18.180 -37.257 1.00 33.64 ? 359 HOH   B O   1 
HETATM 1669 O O   . HOH   G 6 .   ? -23.354 4.350   -24.682 1.00 26.17 ? 360 HOH   B O   1 
HETATM 1670 O O   . HOH   G 6 .   ? -17.953 -19.833 -37.506 1.00 29.99 ? 361 HOH   B O   1 
HETATM 1671 O O   . HOH   G 6 .   ? -26.577 -25.816 -16.368 1.00 17.50 ? 362 HOH   B O   1 
HETATM 1672 O O   . HOH   G 6 .   ? -26.744 -17.656 -7.757  1.00 16.59 ? 363 HOH   B O   1 
HETATM 1673 O O   . HOH   G 6 .   ? -28.428 -21.643 -8.932  1.00 18.92 ? 364 HOH   B O   1 
HETATM 1674 O O   . HOH   G 6 .   ? -42.354 -3.981  -39.391 1.00 22.15 ? 365 HOH   B O   1 
HETATM 1675 O O   . HOH   G 6 .   ? -18.048 -4.407  -5.966  1.00 40.93 ? 366 HOH   B O   1 
HETATM 1676 O O   . HOH   G 6 .   ? -30.240 -23.986 -33.990 1.00 24.10 ? 367 HOH   B O   1 
HETATM 1677 O O   . HOH   G 6 .   ? -9.402  -20.696 -28.967 1.00 43.98 ? 368 HOH   B O   1 
HETATM 1678 O O   . HOH   G 6 .   ? -10.378 -23.562 -21.857 1.00 30.95 ? 369 HOH   B O   1 
HETATM 1679 O O   . HOH   G 6 .   ? -36.317 -1.831  -33.862 1.00 21.65 ? 370 HOH   B O   1 
HETATM 1680 O O   . HOH   G 6 .   ? -40.825 -14.518 -8.419  1.00 29.27 ? 371 HOH   B O   1 
HETATM 1681 O O   . HOH   G 6 .   ? -23.280 2.298   -23.020 1.00 28.70 ? 372 HOH   B O   1 
HETATM 1682 O O   . HOH   G 6 .   ? -25.786 -14.239 -3.079  1.00 32.96 ? 373 HOH   B O   1 
HETATM 1683 O O   . HOH   G 6 .   ? -19.869 1.804   -30.452 1.00 32.14 ? 374 HOH   B O   1 
HETATM 1684 O O   . HOH   G 6 .   ? -41.040 -9.343  -36.606 1.00 28.63 ? 375 HOH   B O   1 
HETATM 1685 O O   . HOH   G 6 .   ? -43.882 -0.673  -24.350 1.00 28.52 ? 376 HOH   B O   1 
HETATM 1686 O O   . HOH   G 6 .   ? -35.802 -3.427  -10.102 1.00 49.33 ? 377 HOH   B O   1 
HETATM 1687 O O   . HOH   G 6 .   ? -40.346 -14.437 -31.342 1.00 15.00 ? 378 HOH   B O   1 
HETATM 1688 O O   . HOH   G 6 .   ? -15.036 -19.779 -37.514 1.00 28.98 ? 379 HOH   B O   1 
HETATM 1689 O O   . HOH   G 6 .   ? -27.800 -27.551 -25.794 1.00 30.05 ? 380 HOH   B O   1 
HETATM 1690 O O   . HOH   G 6 .   ? -34.915 -9.039  -6.093  1.00 43.71 ? 381 HOH   B O   1 
HETATM 1691 O O   . HOH   G 6 .   ? -45.716 -14.809 -27.437 1.00 35.71 ? 382 HOH   B O   1 
HETATM 1692 O O   . HOH   G 6 .   ? -20.975 -16.360 -5.497  1.00 17.42 ? 383 HOH   B O   1 
HETATM 1693 O O   . HOH   G 6 .   ? -42.627 -5.843  -12.266 1.00 22.50 ? 384 HOH   B O   1 
HETATM 1694 O O   . HOH   G 6 .   ? -36.583 -0.977  -22.075 1.00 13.61 ? 385 HOH   B O   1 
HETATM 1695 O O   . HOH   G 6 .   ? -45.092 -7.839  -38.981 1.00 16.15 ? 386 HOH   B O   1 
HETATM 1696 O O   . HOH   G 6 .   ? -18.313 -17.387 -36.323 1.00 27.59 ? 387 HOH   B O   1 
HETATM 1697 O O   . HOH   G 6 .   ? -35.652 -4.705  -42.132 1.00 23.30 ? 388 HOH   B O   1 
HETATM 1698 O O   . HOH   G 6 .   ? -45.780 -19.715 -31.582 1.00 25.41 ? 389 HOH   B O   1 
HETATM 1699 O O   . HOH   G 6 .   ? -34.056 -21.886 -36.493 1.00 38.17 ? 390 HOH   B O   1 
HETATM 1700 O O   . HOH   G 6 .   ? -32.368 -5.039  -12.927 1.00 13.69 ? 391 HOH   B O   1 
HETATM 1701 O O   . HOH   G 6 .   ? -24.085 -12.406 -6.524  1.00 19.04 ? 392 HOH   B O   1 
HETATM 1702 O O   . HOH   G 6 .   ? -23.832 -21.125 -38.782 1.00 22.84 ? 393 HOH   B O   1 
HETATM 1703 O O   . HOH   G 6 .   ? -52.540 -14.292 -29.059 1.00 49.67 ? 394 HOH   B O   1 
HETATM 1704 O O   . HOH   G 6 .   ? -45.968 -4.320  -33.955 1.00 21.28 ? 395 HOH   B O   1 
HETATM 1705 O O   . HOH   G 6 .   ? -33.453 -14.937 -6.987  1.00 22.40 ? 396 HOH   B O   1 
HETATM 1706 O O   . HOH   G 6 .   ? -25.367 -10.514 -23.576 1.00 14.36 ? 397 HOH   B O   1 
HETATM 1707 O O   . HOH   G 6 .   ? -19.088 -29.158 -23.471 1.00 24.47 ? 398 HOH   B O   1 
HETATM 1708 O O   . HOH   G 6 .   ? -14.521 -16.572 -33.148 1.00 30.94 ? 399 HOH   B O   1 
HETATM 1709 O O   . HOH   G 6 .   ? -41.160 -8.862  -19.367 1.00 14.52 ? 400 HOH   B O   1 
HETATM 1710 O O   . HOH   G 6 .   ? -12.790 -18.472 -34.824 1.00 36.85 ? 401 HOH   B O   1 
HETATM 1711 O O   . HOH   G 6 .   ? -41.507 -8.547  -13.316 1.00 20.62 ? 402 HOH   B O   1 
HETATM 1712 O O   . HOH   G 6 .   ? -36.595 -0.279  -42.300 1.00 33.74 ? 403 HOH   B O   1 
HETATM 1713 O O   . HOH   G 6 .   ? -41.077 -5.940  -38.006 1.00 33.04 ? 404 HOH   B O   1 
HETATM 1714 O O   . HOH   G 6 .   ? -25.784 -27.025 -23.833 1.00 17.57 ? 405 HOH   B O   1 
HETATM 1715 O O   . HOH   G 6 .   ? -33.536 -1.856  -38.360 1.00 25.21 ? 406 HOH   B O   1 
HETATM 1716 O O   . HOH   G 6 .   ? -24.914 -15.046 -6.839  1.00 16.55 ? 407 HOH   B O   1 
HETATM 1717 O O   . HOH   G 6 .   ? -9.405  -15.976 -26.537 1.00 28.06 ? 408 HOH   B O   1 
HETATM 1718 O O   . HOH   G 6 .   ? -41.367 5.325   -28.409 1.00 30.31 ? 409 HOH   B O   1 
HETATM 1719 O O   . HOH   G 6 .   ? -18.060 -16.034 -6.134  1.00 23.17 ? 410 HOH   B O   1 
HETATM 1720 O O   . HOH   G 6 .   ? -31.563 3.426   -26.813 1.00 25.49 ? 411 HOH   B O   1 
HETATM 1721 O O   . HOH   G 6 .   ? -28.895 7.798   -30.082 1.00 32.39 ? 412 HOH   B O   1 
HETATM 1722 O O   . HOH   G 6 .   ? -40.438 -7.529  -34.532 1.00 22.09 ? 413 HOH   B O   1 
HETATM 1723 O O   . HOH   G 6 .   ? -24.891 -11.128 -4.123  1.00 25.10 ? 414 HOH   B O   1 
HETATM 1724 O O   . HOH   G 6 .   ? -17.969 -11.149 -35.606 1.00 25.87 ? 415 HOH   B O   1 
HETATM 1725 O O   . HOH   G 6 .   ? -13.241 -6.271  -29.197 1.00 32.98 ? 416 HOH   B O   1 
HETATM 1726 O O   . HOH   G 6 .   ? -41.404 -15.380 -17.981 1.00 50.36 ? 417 HOH   B O   1 
HETATM 1727 O O   . HOH   G 6 .   ? -16.107 -14.732 -8.680  1.00 33.76 ? 418 HOH   B O   1 
HETATM 1728 O O   . HOH   G 6 .   ? -40.895 6.331   -33.135 1.00 30.61 ? 419 HOH   B O   1 
HETATM 1729 O O   . HOH   G 6 .   ? -43.387 3.760   -18.795 1.00 19.49 ? 420 HOH   B O   1 
HETATM 1730 O O   . HOH   G 6 .   ? -42.490 -5.052  -43.702 1.00 23.32 ? 421 HOH   B O   1 
HETATM 1731 O O   . HOH   G 6 .   ? -24.353 -4.338  -36.931 1.00 35.08 ? 422 HOH   B O   1 
HETATM 1732 O O   . HOH   G 6 .   ? -16.091 -12.052 -5.405  1.00 44.09 ? 423 HOH   B O   1 
HETATM 1733 O O   . HOH   G 6 .   ? -31.114 4.008   -24.440 1.00 26.08 ? 424 HOH   B O   1 
HETATM 1734 O O   . HOH   G 6 .   ? -34.405 -7.242  -7.812  1.00 31.96 ? 425 HOH   B O   1 
HETATM 1735 O O   . HOH   G 6 .   ? -25.263 6.973   -28.921 1.00 29.71 ? 426 HOH   B O   1 
HETATM 1736 O O   . HOH   G 6 .   ? -19.951 2.329   -24.028 1.00 38.21 ? 427 HOH   B O   1 
HETATM 1737 O O   . HOH   G 6 .   ? -16.120 -7.373  -11.348 1.00 30.73 ? 428 HOH   B O   1 
HETATM 1738 O O   . HOH   G 6 .   ? -32.790 -23.548 -33.465 1.00 33.03 ? 429 HOH   B O   1 
HETATM 1739 O O   . HOH   G 6 .   ? -43.836 -9.202  -36.554 1.00 38.33 ? 430 HOH   B O   1 
HETATM 1740 O O   . HOH   G 6 .   ? -47.778 0.000   -32.866 0.50 21.79 ? 431 HOH   B O   1 
HETATM 1741 O O   . HOH   G 6 .   ? -36.786 -6.656  -8.900  1.00 31.07 ? 432 HOH   B O   1 
HETATM 1742 O O   . HOH   G 6 .   ? -30.779 -17.382 -42.773 1.00 33.87 ? 433 HOH   B O   1 
HETATM 1743 O O   . HOH   G 6 .   ? -26.227 -28.165 -21.567 1.00 38.66 ? 434 HOH   B O   1 
HETATM 1744 O O   . HOH   G 6 .   ? -21.773 6.923   -32.278 1.00 33.48 ? 435 HOH   B O   1 
HETATM 1745 O O   . HOH   G 6 .   ? -8.381  -23.139 -30.173 1.00 33.17 ? 436 HOH   B O   1 
HETATM 1746 O O   . HOH   G 6 .   ? -40.388 5.026   -22.070 1.00 35.10 ? 437 HOH   B O   1 
HETATM 1747 O O   . HOH   G 6 .   ? -22.752 3.374   -20.640 1.00 39.60 ? 438 HOH   B O   1 
HETATM 1748 O O   . HOH   G 6 .   ? -36.801 2.202   -43.288 1.00 42.18 ? 439 HOH   B O   1 
HETATM 1749 O O   . HOH   G 6 .   ? -15.976 -22.283 -14.567 1.00 29.59 ? 440 HOH   B O   1 
HETATM 1750 O O   . HOH   G 6 .   ? -42.126 -12.984 -22.378 1.00 31.74 ? 441 HOH   B O   1 
HETATM 1751 O O   . HOH   G 6 .   ? -28.388 -27.804 -16.822 1.00 26.47 ? 442 HOH   B O   1 
HETATM 1752 O O   . HOH   G 6 .   ? -16.035 -26.931 -17.227 1.00 35.62 ? 443 HOH   B O   1 
HETATM 1753 O O   . HOH   G 6 .   ? -26.391 -31.205 -23.964 1.00 28.69 ? 444 HOH   B O   1 
# 
