data_7HN6
# 
_entry.id   7HN6 
# 
_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   7HN6         pdb_00007hn6 10.2210/pdb7hn6/pdb 
WWPDB D_1001407684 ?            ?                   
# 
_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                        7HN6 
_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 '(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide' 214.262   1   ?        ? ? ? 
3 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'             238.305   1   ?        ? ? ? 
4 non-polymer syn 1,2-ETHANEDIOL                                                    62.068    1   ?        ? ? ? 
5 non-polymer syn 'SULFATE ION'                                                     96.063    1   ?        ? ? ? 
6 water       nat water                                                             18.015    142 ?        ? ? ? 
# 
_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 '(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide' A1BFR 
3 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'             EPE   
4 1,2-ETHANEDIOL                                                    EDO   
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 
A1BFR non-polymer         . '(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide' ?                 'C10 H18 N2 O3'  
214.262 
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        A1BFR 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFR 
_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 A1BFR 1   301 301 A1BFR LIG B . 
C 3 EPE   1   302 302 EPE   EPE B . 
D 4 EDO   1   303 305 EDO   EDO B . 
E 5 SO4   1   304 1   SO4   SO4 B . 
F 6 HOH   1   401 85  HOH   HOH B . 
F 6 HOH   2   402 12  HOH   HOH B . 
F 6 HOH   3   403 4   HOH   HOH B . 
F 6 HOH   4   404 2   HOH   HOH B . 
F 6 HOH   5   405 11  HOH   HOH B . 
F 6 HOH   6   406 26  HOH   HOH B . 
F 6 HOH   7   407 29  HOH   HOH B . 
F 6 HOH   8   408 1   HOH   HOH B . 
F 6 HOH   9   409 5   HOH   HOH B . 
F 6 HOH   10  410 21  HOH   HOH B . 
F 6 HOH   11  411 33  HOH   HOH B . 
F 6 HOH   12  412 90  HOH   HOH B . 
F 6 HOH   13  413 129 HOH   HOH B . 
F 6 HOH   14  414 25  HOH   HOH B . 
F 6 HOH   15  415 63  HOH   HOH B . 
F 6 HOH   16  416 34  HOH   HOH B . 
F 6 HOH   17  417 62  HOH   HOH B . 
F 6 HOH   18  418 51  HOH   HOH B . 
F 6 HOH   19  419 31  HOH   HOH B . 
F 6 HOH   20  420 16  HOH   HOH B . 
F 6 HOH   21  421 72  HOH   HOH B . 
F 6 HOH   22  422 10  HOH   HOH B . 
F 6 HOH   23  423 120 HOH   HOH B . 
F 6 HOH   24  424 40  HOH   HOH B . 
F 6 HOH   25  425 102 HOH   HOH B . 
F 6 HOH   26  426 89  HOH   HOH B . 
F 6 HOH   27  427 39  HOH   HOH B . 
F 6 HOH   28  428 95  HOH   HOH B . 
F 6 HOH   29  429 27  HOH   HOH B . 
F 6 HOH   30  430 11  HOH   HOH B . 
F 6 HOH   31  431 16  HOH   HOH B . 
F 6 HOH   32  432 36  HOH   HOH B . 
F 6 HOH   33  433 68  HOH   HOH B . 
F 6 HOH   34  434 66  HOH   HOH B . 
F 6 HOH   35  435 100 HOH   HOH B . 
F 6 HOH   36  436 80  HOH   HOH B . 
F 6 HOH   37  437 2   HOH   HOH B . 
F 6 HOH   38  438 99  HOH   HOH B . 
F 6 HOH   39  439 27  HOH   HOH B . 
F 6 HOH   40  440 20  HOH   HOH B . 
F 6 HOH   41  441 70  HOH   HOH B . 
F 6 HOH   42  442 211 HOH   HOH B . 
F 6 HOH   43  443 18  HOH   HOH B . 
F 6 HOH   44  444 15  HOH   HOH B . 
F 6 HOH   45  445 81  HOH   HOH B . 
F 6 HOH   46  446 43  HOH   HOH B . 
F 6 HOH   47  447 22  HOH   HOH B . 
F 6 HOH   48  448 6   HOH   HOH B . 
F 6 HOH   49  449 126 HOH   HOH B . 
F 6 HOH   50  450 58  HOH   HOH B . 
F 6 HOH   51  451 19  HOH   HOH B . 
F 6 HOH   52  452 267 HOH   HOH B . 
F 6 HOH   53  453 26  HOH   HOH B . 
F 6 HOH   54  454 29  HOH   HOH B . 
F 6 HOH   55  455 172 HOH   HOH B . 
F 6 HOH   56  456 7   HOH   HOH B . 
F 6 HOH   57  457 50  HOH   HOH B . 
F 6 HOH   58  458 73  HOH   HOH B . 
F 6 HOH   59  459 137 HOH   HOH B . 
F 6 HOH   60  460 4   HOH   HOH B . 
F 6 HOH   61  461 93  HOH   HOH B . 
F 6 HOH   62  462 10  HOH   HOH B . 
F 6 HOH   63  463 156 HOH   HOH B . 
F 6 HOH   64  464 125 HOH   HOH B . 
F 6 HOH   65  465 76  HOH   HOH B . 
F 6 HOH   66  466 47  HOH   HOH B . 
F 6 HOH   67  467 24  HOH   HOH B . 
F 6 HOH   68  468 3   HOH   HOH B . 
F 6 HOH   69  469 304 HOH   HOH B . 
F 6 HOH   70  470 61  HOH   HOH B . 
F 6 HOH   71  471 86  HOH   HOH B . 
F 6 HOH   72  472 13  HOH   HOH B . 
F 6 HOH   73  473 1   HOH   HOH B . 
F 6 HOH   74  474 71  HOH   HOH B . 
F 6 HOH   75  475 263 HOH   HOH B . 
F 6 HOH   76  476 46  HOH   HOH B . 
F 6 HOH   77  477 33  HOH   HOH B . 
F 6 HOH   78  478 59  HOH   HOH B . 
F 6 HOH   79  479 157 HOH   HOH B . 
F 6 HOH   80  480 303 HOH   HOH B . 
F 6 HOH   81  481 55  HOH   HOH B . 
F 6 HOH   82  482 32  HOH   HOH B . 
F 6 HOH   83  483 64  HOH   HOH B . 
F 6 HOH   84  484 97  HOH   HOH B . 
F 6 HOH   85  485 8   HOH   HOH B . 
F 6 HOH   86  486 8   HOH   HOH B . 
F 6 HOH   87  487 9   HOH   HOH B . 
F 6 HOH   88  488 45  HOH   HOH B . 
F 6 HOH   89  489 82  HOH   HOH B . 
F 6 HOH   90  490 12  HOH   HOH B . 
F 6 HOH   91  491 23  HOH   HOH B . 
F 6 HOH   92  492 42  HOH   HOH B . 
F 6 HOH   93  493 5   HOH   HOH B . 
F 6 HOH   94  494 14  HOH   HOH B . 
F 6 HOH   95  495 60  HOH   HOH B . 
F 6 HOH   96  496 3   HOH   HOH B . 
F 6 HOH   97  497 257 HOH   HOH B . 
F 6 HOH   98  498 264 HOH   HOH B . 
F 6 HOH   99  499 56  HOH   HOH B . 
F 6 HOH   100 500 49  HOH   HOH B . 
F 6 HOH   101 501 25  HOH   HOH B . 
F 6 HOH   102 502 17  HOH   HOH B . 
F 6 HOH   103 503 48  HOH   HOH B . 
F 6 HOH   104 504 31  HOH   HOH B . 
F 6 HOH   105 505 197 HOH   HOH B . 
F 6 HOH   106 506 281 HOH   HOH B . 
F 6 HOH   107 507 112 HOH   HOH B . 
F 6 HOH   108 508 15  HOH   HOH B . 
F 6 HOH   109 509 20  HOH   HOH B . 
F 6 HOH   110 510 7   HOH   HOH B . 
F 6 HOH   111 511 107 HOH   HOH B . 
F 6 HOH   112 512 18  HOH   HOH B . 
F 6 HOH   113 513 30  HOH   HOH B . 
F 6 HOH   114 514 154 HOH   HOH B . 
F 6 HOH   115 515 53  HOH   HOH B . 
F 6 HOH   116 516 140 HOH   HOH B . 
F 6 HOH   117 517 38  HOH   HOH B . 
F 6 HOH   118 518 69  HOH   HOH B . 
F 6 HOH   119 519 57  HOH   HOH B . 
F 6 HOH   120 520 44  HOH   HOH B . 
F 6 HOH   121 521 54  HOH   HOH B . 
F 6 HOH   122 522 19  HOH   HOH B . 
F 6 HOH   123 523 41  HOH   HOH B . 
F 6 HOH   124 524 103 HOH   HOH B . 
F 6 HOH   125 525 22  HOH   HOH B . 
F 6 HOH   126 526 114 HOH   HOH B . 
F 6 HOH   127 527 133 HOH   HOH B . 
F 6 HOH   128 528 30  HOH   HOH B . 
F 6 HOH   129 529 266 HOH   HOH B . 
F 6 HOH   130 530 115 HOH   HOH B . 
F 6 HOH   131 531 13  HOH   HOH B . 
F 6 HOH   132 532 98  HOH   HOH B . 
F 6 HOH   133 533 21  HOH   HOH B . 
F 6 HOH   134 534 23  HOH   HOH B . 
F 6 HOH   135 535 104 HOH   HOH B . 
F 6 HOH   136 536 205 HOH   HOH B . 
F 6 HOH   137 537 127 HOH   HOH B . 
F 6 HOH   138 538 259 HOH   HOH B . 
F 6 HOH   139 539 166 HOH   HOH B . 
F 6 HOH   140 540 131 HOH   HOH B . 
F 6 HOH   141 541 14  HOH   HOH B . 
F 6 HOH   142 542 270 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           7HN6 
_cell.length_a           95.754 
_cell.length_b           95.754 
_cell.length_c           45.603 
_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                         7HN6 
_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          7HN6 
_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   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HN6 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.690 
_reflns.d_resolution_high            1.400 
_reflns.number_obs                   40788 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.122 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        11.100 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.500 
_reflns.pdbx_Rrim_I_all              0.127 
_reflns.pdbx_Rpim_I_all              0.035 
_reflns.pdbx_CC_half                 0.997 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     511561 
_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 1.400 1.420  ? 16972 1996 ? 2.358 ? ? ? 8.500  ? 0.500  ? ? ? ? ? ? 100.000 2.511 0.855 0.386 
1 2 7.670 67.690 ? 3275  275  ? 0.091 ? ? ? 11.900 ? 54.300 ? ? ? ? ? ? 99.900  0.096 0.030 0.953 
# 
_refine.entry_id                                 7HN6 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.4000 
_refine.ls_d_res_low                             67.7100 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.8900 
_refine.ls_number_reflns_obs                     38783 
_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                          0.1813 
_refine.ls_R_factor_R_work                       0.1798 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2120 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  1995 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               19.2450 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2000 
_refine.aniso_B[2][2]                            0.2000 
_refine.aniso_B[3][3]                            -0.4100 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9480 
_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                       0.0640 
_refine.pdbx_overall_ESU_R_Free                  0.0680 
_refine.overall_SU_ML                            0.0590 
_refine.overall_SU_B                             1.6680 
_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                                80.350 
_refine.B_iso_min                                10.680 
_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                       1.4000 
_refine_hist.d_res_low                        67.7100 
_refine_hist.pdbx_number_atoms_ligand         39 
_refine_hist.number_atoms_solvent             142 
_refine_hist.number_atoms_total               1674 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           37.19 
_refine_hist.pdbx_B_iso_mean_solvent          29.90 
_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       2054 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1653 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2554 1.690  1.655  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3824 1.410  1.576  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  6.983  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 111  28.708 20.811 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.595 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   19.795 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         219  0.087  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2224 0.010  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     486  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            954  1.479  1.750  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         946  1.466  1.727  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.336  2.593  ? ? 
# 
_refine_ls_shell.d_res_high                       1.4000 
_refine_ls_shell.d_res_low                        1.4360 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               98.9600 
_refine_ls_shell.number_reflns_R_work             2803 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3630 
_refine_ls_shell.R_factor_R_free                  0.3510 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             159 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2962 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HN6 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1998104358' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HN6 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
F 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              7HN6 
_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 7HN6 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HN6 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HN6 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HN6 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HN6 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HN6 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HN6 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HN6 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 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -3.14 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HN6 
_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 CG B ARG 64 ? ? CD B ARG 64 ? ? NE  B ARG 64 ? ? 124.60 111.80 12.80 2.10 N 
2 1 NE B ARG 64 ? ? CZ B ARG 64 ? ? NH2 B ARG 64 ? ? 123.42 120.30 3.12  0.50 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             -103.02 
_pdbx_validate_torsion.psi             53.44 
# 
_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     526 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_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 
A1BFR N1   N N N 1   
A1BFR C4   C N N 2   
A1BFR C5   C N N 3   
A1BFR C6   C N N 4   
A1BFR C7   C N S 5   
A1BFR C8   C N N 6   
A1BFR C10  C N N 7   
A1BFR C1   C N N 8   
A1BFR C2   C N N 9   
A1BFR C3   C N N 10  
A1BFR C9   C N N 11  
A1BFR N2   N N N 12  
A1BFR O1   O N N 13  
A1BFR O2   O N N 14  
A1BFR O3   O N N 15  
A1BFR H7   H N N 16  
A1BFR H8   H N N 17  
A1BFR H9   H N N 18  
A1BFR H10  H N N 19  
A1BFR H11  H N N 20  
A1BFR H12  H N N 21  
A1BFR H14  H N N 22  
A1BFR H13  H N N 23  
A1BFR H18  H N N 24  
A1BFR H17  H N N 25  
A1BFR H1   H N N 26  
A1BFR H2   H N N 27  
A1BFR H3   H N N 28  
A1BFR H5   H N N 29  
A1BFR H6   H N N 30  
A1BFR H4   H N N 31  
A1BFR H16  H N N 32  
A1BFR H15  H N N 33  
ALA   N    N N N 34  
ALA   CA   C N S 35  
ALA   C    C N N 36  
ALA   O    O N N 37  
ALA   CB   C N N 38  
ALA   OXT  O N N 39  
ALA   H    H N N 40  
ALA   H2   H N N 41  
ALA   HA   H N N 42  
ALA   HB1  H N N 43  
ALA   HB2  H N N 44  
ALA   HB3  H N N 45  
ALA   HXT  H N N 46  
ARG   N    N N N 47  
ARG   CA   C N S 48  
ARG   C    C N N 49  
ARG   O    O N N 50  
ARG   CB   C N N 51  
ARG   CG   C N N 52  
ARG   CD   C N N 53  
ARG   NE   N N N 54  
ARG   CZ   C N N 55  
ARG   NH1  N N N 56  
ARG   NH2  N N N 57  
ARG   OXT  O N N 58  
ARG   H    H N N 59  
ARG   H2   H N N 60  
ARG   HA   H N N 61  
ARG   HB2  H N N 62  
ARG   HB3  H N N 63  
ARG   HG2  H N N 64  
ARG   HG3  H N N 65  
ARG   HD2  H N N 66  
ARG   HD3  H N N 67  
ARG   HE   H N N 68  
ARG   HH11 H N N 69  
ARG   HH12 H N N 70  
ARG   HH21 H N N 71  
ARG   HH22 H N N 72  
ARG   HXT  H N N 73  
ASN   N    N N N 74  
ASN   CA   C N S 75  
ASN   C    C N N 76  
ASN   O    O N N 77  
ASN   CB   C N N 78  
ASN   CG   C N N 79  
ASN   OD1  O N N 80  
ASN   ND2  N N N 81  
ASN   OXT  O N N 82  
ASN   H    H N N 83  
ASN   H2   H N N 84  
ASN   HA   H N N 85  
ASN   HB2  H N N 86  
ASN   HB3  H N N 87  
ASN   HD21 H N N 88  
ASN   HD22 H N N 89  
ASN   HXT  H N N 90  
ASP   N    N N N 91  
ASP   CA   C N S 92  
ASP   C    C N N 93  
ASP   O    O N N 94  
ASP   CB   C N N 95  
ASP   CG   C N N 96  
ASP   OD1  O N N 97  
ASP   OD2  O N N 98  
ASP   OXT  O N N 99  
ASP   H    H N N 100 
ASP   H2   H N N 101 
ASP   HA   H N N 102 
ASP   HB2  H N N 103 
ASP   HB3  H N N 104 
ASP   HD2  H N N 105 
ASP   HXT  H N N 106 
CYS   N    N N N 107 
CYS   CA   C N R 108 
CYS   C    C N N 109 
CYS   O    O N N 110 
CYS   CB   C N N 111 
CYS   SG   S N N 112 
CYS   OXT  O N N 113 
CYS   H    H N N 114 
CYS   H2   H N N 115 
CYS   HA   H N N 116 
CYS   HB2  H N N 117 
CYS   HB3  H N N 118 
CYS   HG   H N N 119 
CYS   HXT  H N N 120 
EDO   C1   C N N 121 
EDO   O1   O N N 122 
EDO   C2   C N N 123 
EDO   O2   O N N 124 
EDO   H11  H N N 125 
EDO   H12  H N N 126 
EDO   HO1  H N N 127 
EDO   H21  H N N 128 
EDO   H22  H N N 129 
EDO   HO2  H N N 130 
EPE   N1   N N N 131 
EPE   C2   C N N 132 
EPE   C3   C N N 133 
EPE   N4   N N N 134 
EPE   C5   C N N 135 
EPE   C6   C N N 136 
EPE   C7   C N N 137 
EPE   C8   C N N 138 
EPE   O8   O N N 139 
EPE   C9   C N N 140 
EPE   C10  C N N 141 
EPE   S    S N N 142 
EPE   O1S  O N N 143 
EPE   O2S  O N N 144 
EPE   O3S  O N N 145 
EPE   H21  H N N 146 
EPE   H22  H N N 147 
EPE   H31  H N N 148 
EPE   H32  H N N 149 
EPE   H51  H N N 150 
EPE   H52  H N N 151 
EPE   H61  H N N 152 
EPE   H62  H N N 153 
EPE   H71  H N N 154 
EPE   H72  H N N 155 
EPE   H81  H N N 156 
EPE   H82  H N N 157 
EPE   HO8  H N N 158 
EPE   H91  H N N 159 
EPE   H92  H N N 160 
EPE   H101 H N N 161 
EPE   H102 H N N 162 
EPE   HOS3 H N N 163 
GLN   N    N N N 164 
GLN   CA   C N S 165 
GLN   C    C N N 166 
GLN   O    O N N 167 
GLN   CB   C N N 168 
GLN   CG   C N N 169 
GLN   CD   C N N 170 
GLN   OE1  O N N 171 
GLN   NE2  N N N 172 
GLN   OXT  O N N 173 
GLN   H    H N N 174 
GLN   H2   H N N 175 
GLN   HA   H N N 176 
GLN   HB2  H N N 177 
GLN   HB3  H N N 178 
GLN   HG2  H N N 179 
GLN   HG3  H N N 180 
GLN   HE21 H N N 181 
GLN   HE22 H N N 182 
GLN   HXT  H N N 183 
GLU   N    N N N 184 
GLU   CA   C N S 185 
GLU   C    C N N 186 
GLU   O    O N N 187 
GLU   CB   C N N 188 
GLU   CG   C N N 189 
GLU   CD   C N N 190 
GLU   OE1  O N N 191 
GLU   OE2  O N N 192 
GLU   OXT  O N N 193 
GLU   H    H N N 194 
GLU   H2   H N N 195 
GLU   HA   H N N 196 
GLU   HB2  H N N 197 
GLU   HB3  H N N 198 
GLU   HG2  H N N 199 
GLU   HG3  H N N 200 
GLU   HE2  H N N 201 
GLU   HXT  H N N 202 
GLY   N    N N N 203 
GLY   CA   C N N 204 
GLY   C    C N N 205 
GLY   O    O N N 206 
GLY   OXT  O N N 207 
GLY   H    H N N 208 
GLY   H2   H N N 209 
GLY   HA2  H N N 210 
GLY   HA3  H N N 211 
GLY   HXT  H N N 212 
HIS   N    N N N 213 
HIS   CA   C N S 214 
HIS   C    C N N 215 
HIS   O    O N N 216 
HIS   CB   C N N 217 
HIS   CG   C Y N 218 
HIS   ND1  N Y N 219 
HIS   CD2  C Y N 220 
HIS   CE1  C Y N 221 
HIS   NE2  N Y N 222 
HIS   OXT  O N N 223 
HIS   H    H N N 224 
HIS   H2   H N N 225 
HIS   HA   H N N 226 
HIS   HB2  H N N 227 
HIS   HB3  H N N 228 
HIS   HD1  H N N 229 
HIS   HD2  H N N 230 
HIS   HE1  H N N 231 
HIS   HE2  H N N 232 
HIS   HXT  H N N 233 
HOH   O    O N N 234 
HOH   H1   H N N 235 
HOH   H2   H N N 236 
ILE   N    N N N 237 
ILE   CA   C N S 238 
ILE   C    C N N 239 
ILE   O    O N N 240 
ILE   CB   C N S 241 
ILE   CG1  C N N 242 
ILE   CG2  C N N 243 
ILE   CD1  C N N 244 
ILE   OXT  O N N 245 
ILE   H    H N N 246 
ILE   H2   H N N 247 
ILE   HA   H N N 248 
ILE   HB   H N N 249 
ILE   HG12 H N N 250 
ILE   HG13 H N N 251 
ILE   HG21 H N N 252 
ILE   HG22 H N N 253 
ILE   HG23 H N N 254 
ILE   HD11 H N N 255 
ILE   HD12 H N N 256 
ILE   HD13 H N N 257 
ILE   HXT  H N N 258 
LEU   N    N N N 259 
LEU   CA   C N S 260 
LEU   C    C N N 261 
LEU   O    O N N 262 
LEU   CB   C N N 263 
LEU   CG   C N N 264 
LEU   CD1  C N N 265 
LEU   CD2  C N N 266 
LEU   OXT  O N N 267 
LEU   H    H N N 268 
LEU   H2   H N N 269 
LEU   HA   H N N 270 
LEU   HB2  H N N 271 
LEU   HB3  H N N 272 
LEU   HG   H N N 273 
LEU   HD11 H N N 274 
LEU   HD12 H N N 275 
LEU   HD13 H N N 276 
LEU   HD21 H N N 277 
LEU   HD22 H N N 278 
LEU   HD23 H N N 279 
LEU   HXT  H N N 280 
LYS   N    N N N 281 
LYS   CA   C N S 282 
LYS   C    C N N 283 
LYS   O    O N N 284 
LYS   CB   C N N 285 
LYS   CG   C N N 286 
LYS   CD   C N N 287 
LYS   CE   C N N 288 
LYS   NZ   N N N 289 
LYS   OXT  O N N 290 
LYS   H    H N N 291 
LYS   H2   H N N 292 
LYS   HA   H N N 293 
LYS   HB2  H N N 294 
LYS   HB3  H N N 295 
LYS   HG2  H N N 296 
LYS   HG3  H N N 297 
LYS   HD2  H N N 298 
LYS   HD3  H N N 299 
LYS   HE2  H N N 300 
LYS   HE3  H N N 301 
LYS   HZ1  H N N 302 
LYS   HZ2  H N N 303 
LYS   HZ3  H N N 304 
LYS   HXT  H N N 305 
MET   N    N N N 306 
MET   CA   C N S 307 
MET   C    C N N 308 
MET   O    O N N 309 
MET   CB   C N N 310 
MET   CG   C N N 311 
MET   SD   S N N 312 
MET   CE   C N N 313 
MET   OXT  O N N 314 
MET   H    H N N 315 
MET   H2   H N N 316 
MET   HA   H N N 317 
MET   HB2  H N N 318 
MET   HB3  H N N 319 
MET   HG2  H N N 320 
MET   HG3  H N N 321 
MET   HE1  H N N 322 
MET   HE2  H N N 323 
MET   HE3  H N N 324 
MET   HXT  H N N 325 
PHE   N    N N N 326 
PHE   CA   C N S 327 
PHE   C    C N N 328 
PHE   O    O N N 329 
PHE   CB   C N N 330 
PHE   CG   C Y N 331 
PHE   CD1  C Y N 332 
PHE   CD2  C Y N 333 
PHE   CE1  C Y N 334 
PHE   CE2  C Y N 335 
PHE   CZ   C Y N 336 
PHE   OXT  O N N 337 
PHE   H    H N N 338 
PHE   H2   H N N 339 
PHE   HA   H N N 340 
PHE   HB2  H N N 341 
PHE   HB3  H N N 342 
PHE   HD1  H N N 343 
PHE   HD2  H N N 344 
PHE   HE1  H N N 345 
PHE   HE2  H N N 346 
PHE   HZ   H N N 347 
PHE   HXT  H N N 348 
PRO   N    N N N 349 
PRO   CA   C N S 350 
PRO   C    C N N 351 
PRO   O    O N N 352 
PRO   CB   C N N 353 
PRO   CG   C N N 354 
PRO   CD   C N N 355 
PRO   OXT  O N N 356 
PRO   H    H N N 357 
PRO   HA   H N N 358 
PRO   HB2  H N N 359 
PRO   HB3  H N N 360 
PRO   HG2  H N N 361 
PRO   HG3  H N N 362 
PRO   HD2  H N N 363 
PRO   HD3  H N N 364 
PRO   HXT  H N N 365 
SER   N    N N N 366 
SER   CA   C N S 367 
SER   C    C N N 368 
SER   O    O N N 369 
SER   CB   C N N 370 
SER   OG   O N N 371 
SER   OXT  O N N 372 
SER   H    H N N 373 
SER   H2   H N N 374 
SER   HA   H N N 375 
SER   HB2  H N N 376 
SER   HB3  H N N 377 
SER   HG   H N N 378 
SER   HXT  H N N 379 
SO4   S    S N N 380 
SO4   O1   O N N 381 
SO4   O2   O N N 382 
SO4   O3   O N N 383 
SO4   O4   O N N 384 
THR   N    N N N 385 
THR   CA   C N S 386 
THR   C    C N N 387 
THR   O    O N N 388 
THR   CB   C N R 389 
THR   OG1  O N N 390 
THR   CG2  C N N 391 
THR   OXT  O N N 392 
THR   H    H N N 393 
THR   H2   H N N 394 
THR   HA   H N N 395 
THR   HB   H N N 396 
THR   HG1  H N N 397 
THR   HG21 H N N 398 
THR   HG22 H N N 399 
THR   HG23 H N N 400 
THR   HXT  H N N 401 
TRP   N    N N N 402 
TRP   CA   C N S 403 
TRP   C    C N N 404 
TRP   O    O N N 405 
TRP   CB   C N N 406 
TRP   CG   C Y N 407 
TRP   CD1  C Y N 408 
TRP   CD2  C Y N 409 
TRP   NE1  N Y N 410 
TRP   CE2  C Y N 411 
TRP   CE3  C Y N 412 
TRP   CZ2  C Y N 413 
TRP   CZ3  C Y N 414 
TRP   CH2  C Y N 415 
TRP   OXT  O N N 416 
TRP   H    H N N 417 
TRP   H2   H N N 418 
TRP   HA   H N N 419 
TRP   HB2  H N N 420 
TRP   HB3  H N N 421 
TRP   HD1  H N N 422 
TRP   HE1  H N N 423 
TRP   HE3  H N N 424 
TRP   HZ2  H N N 425 
TRP   HZ3  H N N 426 
TRP   HH2  H N N 427 
TRP   HXT  H N N 428 
TYR   N    N N N 429 
TYR   CA   C N S 430 
TYR   C    C N N 431 
TYR   O    O N N 432 
TYR   CB   C N N 433 
TYR   CG   C Y N 434 
TYR   CD1  C Y N 435 
TYR   CD2  C Y N 436 
TYR   CE1  C Y N 437 
TYR   CE2  C Y N 438 
TYR   CZ   C Y N 439 
TYR   OH   O N N 440 
TYR   OXT  O N N 441 
TYR   H    H N N 442 
TYR   H2   H N N 443 
TYR   HA   H N N 444 
TYR   HB2  H N N 445 
TYR   HB3  H N N 446 
TYR   HD1  H N N 447 
TYR   HD2  H N N 448 
TYR   HE1  H N N 449 
TYR   HE2  H N N 450 
TYR   HH   H N N 451 
TYR   HXT  H N N 452 
VAL   N    N N N 453 
VAL   CA   C N S 454 
VAL   C    C N N 455 
VAL   O    O N N 456 
VAL   CB   C N N 457 
VAL   CG1  C N N 458 
VAL   CG2  C N N 459 
VAL   OXT  O N N 460 
VAL   H    H N N 461 
VAL   H2   H N N 462 
VAL   HA   H N N 463 
VAL   HB   H N N 464 
VAL   HG11 H N N 465 
VAL   HG12 H N N 466 
VAL   HG13 H N N 467 
VAL   HG21 H N N 468 
VAL   HG22 H N N 469 
VAL   HG23 H N N 470 
VAL   HXT  H N N 471 
# 
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 
A1BFR C1  N1   sing N N 1   
A1BFR N1  C2   sing N N 2   
A1BFR N1  C3   sing N N 3   
A1BFR C3  O1   doub N N 4   
A1BFR C3  N2   sing N N 5   
A1BFR N2  C4   sing N N 6   
A1BFR C4  C5   sing N N 7   
A1BFR C5  O2   sing N N 8   
A1BFR O2  C6   sing N N 9   
A1BFR C6  C7   sing N N 10  
A1BFR C7  C8   sing N N 11  
A1BFR C8  C9   sing N N 12  
A1BFR C9  O3   sing N N 13  
A1BFR O3  C10  sing N N 14  
A1BFR N2  C7   sing N N 15  
A1BFR C7  C10  sing N N 16  
A1BFR C4  H7   sing N N 17  
A1BFR C4  H8   sing N N 18  
A1BFR C5  H9   sing N N 19  
A1BFR C5  H10  sing N N 20  
A1BFR C6  H11  sing N N 21  
A1BFR C6  H12  sing N N 22  
A1BFR C8  H14  sing N N 23  
A1BFR C8  H13  sing N N 24  
A1BFR C10 H18  sing N N 25  
A1BFR C10 H17  sing N N 26  
A1BFR C1  H1   sing N N 27  
A1BFR C1  H2   sing N N 28  
A1BFR C1  H3   sing N N 29  
A1BFR C2  H5   sing N N 30  
A1BFR C2  H6   sing N N 31  
A1BFR C2  H4   sing N N 32  
A1BFR C9  H16  sing N N 33  
A1BFR C9  H15  sing N N 34  
ALA   N   CA   sing N N 35  
ALA   N   H    sing N N 36  
ALA   N   H2   sing N N 37  
ALA   CA  C    sing N N 38  
ALA   CA  CB   sing N N 39  
ALA   CA  HA   sing N N 40  
ALA   C   O    doub N N 41  
ALA   C   OXT  sing N N 42  
ALA   CB  HB1  sing N N 43  
ALA   CB  HB2  sing N N 44  
ALA   CB  HB3  sing N N 45  
ALA   OXT HXT  sing N N 46  
ARG   N   CA   sing N N 47  
ARG   N   H    sing N N 48  
ARG   N   H2   sing N N 49  
ARG   CA  C    sing N N 50  
ARG   CA  CB   sing N N 51  
ARG   CA  HA   sing N N 52  
ARG   C   O    doub N N 53  
ARG   C   OXT  sing N N 54  
ARG   CB  CG   sing N N 55  
ARG   CB  HB2  sing N N 56  
ARG   CB  HB3  sing N N 57  
ARG   CG  CD   sing N N 58  
ARG   CG  HG2  sing N N 59  
ARG   CG  HG3  sing N N 60  
ARG   CD  NE   sing N N 61  
ARG   CD  HD2  sing N N 62  
ARG   CD  HD3  sing N N 63  
ARG   NE  CZ   sing N N 64  
ARG   NE  HE   sing N N 65  
ARG   CZ  NH1  sing N N 66  
ARG   CZ  NH2  doub N N 67  
ARG   NH1 HH11 sing N N 68  
ARG   NH1 HH12 sing N N 69  
ARG   NH2 HH21 sing N N 70  
ARG   NH2 HH22 sing N N 71  
ARG   OXT HXT  sing N N 72  
ASN   N   CA   sing N N 73  
ASN   N   H    sing N N 74  
ASN   N   H2   sing N N 75  
ASN   CA  C    sing N N 76  
ASN   CA  CB   sing N N 77  
ASN   CA  HA   sing N N 78  
ASN   C   O    doub N N 79  
ASN   C   OXT  sing N N 80  
ASN   CB  CG   sing N N 81  
ASN   CB  HB2  sing N N 82  
ASN   CB  HB3  sing N N 83  
ASN   CG  OD1  doub N N 84  
ASN   CG  ND2  sing N N 85  
ASN   ND2 HD21 sing N N 86  
ASN   ND2 HD22 sing N N 87  
ASN   OXT HXT  sing N N 88  
ASP   N   CA   sing N N 89  
ASP   N   H    sing N N 90  
ASP   N   H2   sing N N 91  
ASP   CA  C    sing N N 92  
ASP   CA  CB   sing N N 93  
ASP   CA  HA   sing N N 94  
ASP   C   O    doub N N 95  
ASP   C   OXT  sing N N 96  
ASP   CB  CG   sing N N 97  
ASP   CB  HB2  sing N N 98  
ASP   CB  HB3  sing N N 99  
ASP   CG  OD1  doub N N 100 
ASP   CG  OD2  sing N N 101 
ASP   OD2 HD2  sing N N 102 
ASP   OXT HXT  sing N N 103 
CYS   N   CA   sing N N 104 
CYS   N   H    sing N N 105 
CYS   N   H2   sing N N 106 
CYS   CA  C    sing N N 107 
CYS   CA  CB   sing N N 108 
CYS   CA  HA   sing N N 109 
CYS   C   O    doub N N 110 
CYS   C   OXT  sing N N 111 
CYS   CB  SG   sing N N 112 
CYS   CB  HB2  sing N N 113 
CYS   CB  HB3  sing N N 114 
CYS   SG  HG   sing N N 115 
CYS   OXT HXT  sing N N 116 
EDO   C1  O1   sing N N 117 
EDO   C1  C2   sing N N 118 
EDO   C1  H11  sing N N 119 
EDO   C1  H12  sing N N 120 
EDO   O1  HO1  sing N N 121 
EDO   C2  O2   sing N N 122 
EDO   C2  H21  sing N N 123 
EDO   C2  H22  sing N N 124 
EDO   O2  HO2  sing N N 125 
EPE   N1  C2   sing N N 126 
EPE   N1  C6   sing N N 127 
EPE   N1  C9   sing N N 128 
EPE   C2  C3   sing N N 129 
EPE   C2  H21  sing N N 130 
EPE   C2  H22  sing N N 131 
EPE   C3  N4   sing N N 132 
EPE   C3  H31  sing N N 133 
EPE   C3  H32  sing N N 134 
EPE   N4  C5   sing N N 135 
EPE   N4  C7   sing N N 136 
EPE   C5  C6   sing N N 137 
EPE   C5  H51  sing N N 138 
EPE   C5  H52  sing N N 139 
EPE   C6  H61  sing N N 140 
EPE   C6  H62  sing N N 141 
EPE   C7  C8   sing N N 142 
EPE   C7  H71  sing N N 143 
EPE   C7  H72  sing N N 144 
EPE   C8  O8   sing N N 145 
EPE   C8  H81  sing N N 146 
EPE   C8  H82  sing N N 147 
EPE   O8  HO8  sing N N 148 
EPE   C9  C10  sing N N 149 
EPE   C9  H91  sing N N 150 
EPE   C9  H92  sing N N 151 
EPE   C10 S    sing N N 152 
EPE   C10 H101 sing N N 153 
EPE   C10 H102 sing N N 154 
EPE   S   O1S  doub N N 155 
EPE   S   O2S  doub N N 156 
EPE   S   O3S  sing N N 157 
EPE   O3S HOS3 sing N N 158 
GLN   N   CA   sing N N 159 
GLN   N   H    sing N N 160 
GLN   N   H2   sing N N 161 
GLN   CA  C    sing N N 162 
GLN   CA  CB   sing N N 163 
GLN   CA  HA   sing N N 164 
GLN   C   O    doub N N 165 
GLN   C   OXT  sing N N 166 
GLN   CB  CG   sing N N 167 
GLN   CB  HB2  sing N N 168 
GLN   CB  HB3  sing N N 169 
GLN   CG  CD   sing N N 170 
GLN   CG  HG2  sing N N 171 
GLN   CG  HG3  sing N N 172 
GLN   CD  OE1  doub N N 173 
GLN   CD  NE2  sing N N 174 
GLN   NE2 HE21 sing N N 175 
GLN   NE2 HE22 sing N N 176 
GLN   OXT HXT  sing N N 177 
GLU   N   CA   sing N N 178 
GLU   N   H    sing N N 179 
GLU   N   H2   sing N N 180 
GLU   CA  C    sing N N 181 
GLU   CA  CB   sing N N 182 
GLU   CA  HA   sing N N 183 
GLU   C   O    doub N N 184 
GLU   C   OXT  sing N N 185 
GLU   CB  CG   sing N N 186 
GLU   CB  HB2  sing N N 187 
GLU   CB  HB3  sing N N 188 
GLU   CG  CD   sing N N 189 
GLU   CG  HG2  sing N N 190 
GLU   CG  HG3  sing N N 191 
GLU   CD  OE1  doub N N 192 
GLU   CD  OE2  sing N N 193 
GLU   OE2 HE2  sing N N 194 
GLU   OXT HXT  sing N N 195 
GLY   N   CA   sing N N 196 
GLY   N   H    sing N N 197 
GLY   N   H2   sing N N 198 
GLY   CA  C    sing N N 199 
GLY   CA  HA2  sing N N 200 
GLY   CA  HA3  sing N N 201 
GLY   C   O    doub N N 202 
GLY   C   OXT  sing N N 203 
GLY   OXT HXT  sing N N 204 
HIS   N   CA   sing N N 205 
HIS   N   H    sing N N 206 
HIS   N   H2   sing N N 207 
HIS   CA  C    sing N N 208 
HIS   CA  CB   sing N N 209 
HIS   CA  HA   sing N N 210 
HIS   C   O    doub N N 211 
HIS   C   OXT  sing N N 212 
HIS   CB  CG   sing N N 213 
HIS   CB  HB2  sing N N 214 
HIS   CB  HB3  sing N N 215 
HIS   CG  ND1  sing Y N 216 
HIS   CG  CD2  doub Y N 217 
HIS   ND1 CE1  doub Y N 218 
HIS   ND1 HD1  sing N N 219 
HIS   CD2 NE2  sing Y N 220 
HIS   CD2 HD2  sing N N 221 
HIS   CE1 NE2  sing Y N 222 
HIS   CE1 HE1  sing N N 223 
HIS   NE2 HE2  sing N N 224 
HIS   OXT HXT  sing N N 225 
HOH   O   H1   sing N N 226 
HOH   O   H2   sing N N 227 
ILE   N   CA   sing N N 228 
ILE   N   H    sing N N 229 
ILE   N   H2   sing N N 230 
ILE   CA  C    sing N N 231 
ILE   CA  CB   sing N N 232 
ILE   CA  HA   sing N N 233 
ILE   C   O    doub N N 234 
ILE   C   OXT  sing N N 235 
ILE   CB  CG1  sing N N 236 
ILE   CB  CG2  sing N N 237 
ILE   CB  HB   sing N N 238 
ILE   CG1 CD1  sing N N 239 
ILE   CG1 HG12 sing N N 240 
ILE   CG1 HG13 sing N N 241 
ILE   CG2 HG21 sing N N 242 
ILE   CG2 HG22 sing N N 243 
ILE   CG2 HG23 sing N N 244 
ILE   CD1 HD11 sing N N 245 
ILE   CD1 HD12 sing N N 246 
ILE   CD1 HD13 sing N N 247 
ILE   OXT HXT  sing N N 248 
LEU   N   CA   sing N N 249 
LEU   N   H    sing N N 250 
LEU   N   H2   sing N N 251 
LEU   CA  C    sing N N 252 
LEU   CA  CB   sing N N 253 
LEU   CA  HA   sing N N 254 
LEU   C   O    doub N N 255 
LEU   C   OXT  sing N N 256 
LEU   CB  CG   sing N N 257 
LEU   CB  HB2  sing N N 258 
LEU   CB  HB3  sing N N 259 
LEU   CG  CD1  sing N N 260 
LEU   CG  CD2  sing N N 261 
LEU   CG  HG   sing N N 262 
LEU   CD1 HD11 sing N N 263 
LEU   CD1 HD12 sing N N 264 
LEU   CD1 HD13 sing N N 265 
LEU   CD2 HD21 sing N N 266 
LEU   CD2 HD22 sing N N 267 
LEU   CD2 HD23 sing N N 268 
LEU   OXT HXT  sing N N 269 
LYS   N   CA   sing N N 270 
LYS   N   H    sing N N 271 
LYS   N   H2   sing N N 272 
LYS   CA  C    sing N N 273 
LYS   CA  CB   sing N N 274 
LYS   CA  HA   sing N N 275 
LYS   C   O    doub N N 276 
LYS   C   OXT  sing N N 277 
LYS   CB  CG   sing N N 278 
LYS   CB  HB2  sing N N 279 
LYS   CB  HB3  sing N N 280 
LYS   CG  CD   sing N N 281 
LYS   CG  HG2  sing N N 282 
LYS   CG  HG3  sing N N 283 
LYS   CD  CE   sing N N 284 
LYS   CD  HD2  sing N N 285 
LYS   CD  HD3  sing N N 286 
LYS   CE  NZ   sing N N 287 
LYS   CE  HE2  sing N N 288 
LYS   CE  HE3  sing N N 289 
LYS   NZ  HZ1  sing N N 290 
LYS   NZ  HZ2  sing N N 291 
LYS   NZ  HZ3  sing N N 292 
LYS   OXT HXT  sing N N 293 
MET   N   CA   sing N N 294 
MET   N   H    sing N N 295 
MET   N   H2   sing N N 296 
MET   CA  C    sing N N 297 
MET   CA  CB   sing N N 298 
MET   CA  HA   sing N N 299 
MET   C   O    doub N N 300 
MET   C   OXT  sing N N 301 
MET   CB  CG   sing N N 302 
MET   CB  HB2  sing N N 303 
MET   CB  HB3  sing N N 304 
MET   CG  SD   sing N N 305 
MET   CG  HG2  sing N N 306 
MET   CG  HG3  sing N N 307 
MET   SD  CE   sing N N 308 
MET   CE  HE1  sing N N 309 
MET   CE  HE2  sing N N 310 
MET   CE  HE3  sing N N 311 
MET   OXT HXT  sing N N 312 
PHE   N   CA   sing N N 313 
PHE   N   H    sing N N 314 
PHE   N   H2   sing N N 315 
PHE   CA  C    sing N N 316 
PHE   CA  CB   sing N N 317 
PHE   CA  HA   sing N N 318 
PHE   C   O    doub N N 319 
PHE   C   OXT  sing N N 320 
PHE   CB  CG   sing N N 321 
PHE   CB  HB2  sing N N 322 
PHE   CB  HB3  sing N N 323 
PHE   CG  CD1  doub Y N 324 
PHE   CG  CD2  sing Y N 325 
PHE   CD1 CE1  sing Y N 326 
PHE   CD1 HD1  sing N N 327 
PHE   CD2 CE2  doub Y N 328 
PHE   CD2 HD2  sing N N 329 
PHE   CE1 CZ   doub Y N 330 
PHE   CE1 HE1  sing N N 331 
PHE   CE2 CZ   sing Y N 332 
PHE   CE2 HE2  sing N N 333 
PHE   CZ  HZ   sing N N 334 
PHE   OXT HXT  sing N N 335 
PRO   N   CA   sing N N 336 
PRO   N   CD   sing N N 337 
PRO   N   H    sing N N 338 
PRO   CA  C    sing N N 339 
PRO   CA  CB   sing N N 340 
PRO   CA  HA   sing N N 341 
PRO   C   O    doub N N 342 
PRO   C   OXT  sing N N 343 
PRO   CB  CG   sing N N 344 
PRO   CB  HB2  sing N N 345 
PRO   CB  HB3  sing N N 346 
PRO   CG  CD   sing N N 347 
PRO   CG  HG2  sing N N 348 
PRO   CG  HG3  sing N N 349 
PRO   CD  HD2  sing N N 350 
PRO   CD  HD3  sing N N 351 
PRO   OXT HXT  sing N N 352 
SER   N   CA   sing N N 353 
SER   N   H    sing N N 354 
SER   N   H2   sing N N 355 
SER   CA  C    sing N N 356 
SER   CA  CB   sing N N 357 
SER   CA  HA   sing N N 358 
SER   C   O    doub N N 359 
SER   C   OXT  sing N N 360 
SER   CB  OG   sing N N 361 
SER   CB  HB2  sing N N 362 
SER   CB  HB3  sing N N 363 
SER   OG  HG   sing N N 364 
SER   OXT HXT  sing N N 365 
SO4   S   O1   doub N N 366 
SO4   S   O2   doub N N 367 
SO4   S   O3   sing N N 368 
SO4   S   O4   sing N N 369 
THR   N   CA   sing N N 370 
THR   N   H    sing N N 371 
THR   N   H2   sing N N 372 
THR   CA  C    sing N N 373 
THR   CA  CB   sing N N 374 
THR   CA  HA   sing N N 375 
THR   C   O    doub N N 376 
THR   C   OXT  sing N N 377 
THR   CB  OG1  sing N N 378 
THR   CB  CG2  sing N N 379 
THR   CB  HB   sing N N 380 
THR   OG1 HG1  sing N N 381 
THR   CG2 HG21 sing N N 382 
THR   CG2 HG22 sing N N 383 
THR   CG2 HG23 sing N N 384 
THR   OXT HXT  sing N N 385 
TRP   N   CA   sing N N 386 
TRP   N   H    sing N N 387 
TRP   N   H2   sing N N 388 
TRP   CA  C    sing N N 389 
TRP   CA  CB   sing N N 390 
TRP   CA  HA   sing N N 391 
TRP   C   O    doub N N 392 
TRP   C   OXT  sing N N 393 
TRP   CB  CG   sing N N 394 
TRP   CB  HB2  sing N N 395 
TRP   CB  HB3  sing N N 396 
TRP   CG  CD1  doub Y N 397 
TRP   CG  CD2  sing Y N 398 
TRP   CD1 NE1  sing Y N 399 
TRP   CD1 HD1  sing N N 400 
TRP   CD2 CE2  doub Y N 401 
TRP   CD2 CE3  sing Y N 402 
TRP   NE1 CE2  sing Y N 403 
TRP   NE1 HE1  sing N N 404 
TRP   CE2 CZ2  sing Y N 405 
TRP   CE3 CZ3  doub Y N 406 
TRP   CE3 HE3  sing N N 407 
TRP   CZ2 CH2  doub Y N 408 
TRP   CZ2 HZ2  sing N N 409 
TRP   CZ3 CH2  sing Y N 410 
TRP   CZ3 HZ3  sing N N 411 
TRP   CH2 HH2  sing N N 412 
TRP   OXT HXT  sing N N 413 
TYR   N   CA   sing N N 414 
TYR   N   H    sing N N 415 
TYR   N   H2   sing N N 416 
TYR   CA  C    sing N N 417 
TYR   CA  CB   sing N N 418 
TYR   CA  HA   sing N N 419 
TYR   C   O    doub N N 420 
TYR   C   OXT  sing N N 421 
TYR   CB  CG   sing N N 422 
TYR   CB  HB2  sing N N 423 
TYR   CB  HB3  sing N N 424 
TYR   CG  CD1  doub Y N 425 
TYR   CG  CD2  sing Y N 426 
TYR   CD1 CE1  sing Y N 427 
TYR   CD1 HD1  sing N N 428 
TYR   CD2 CE2  doub Y N 429 
TYR   CD2 HD2  sing N N 430 
TYR   CE1 CZ   doub Y N 431 
TYR   CE1 HE1  sing N N 432 
TYR   CE2 CZ   sing Y N 433 
TYR   CE2 HE2  sing N N 434 
TYR   CZ  OH   sing N N 435 
TYR   OH  HH   sing N N 436 
TYR   OXT HXT  sing N N 437 
VAL   N   CA   sing N N 438 
VAL   N   H    sing N N 439 
VAL   N   H2   sing N N 440 
VAL   CA  C    sing N N 441 
VAL   CA  CB   sing N N 442 
VAL   CA  HA   sing N N 443 
VAL   C   O    doub N N 444 
VAL   C   OXT  sing N N 445 
VAL   CB  CG1  sing N N 446 
VAL   CB  CG2  sing N N 447 
VAL   CB  HB   sing N N 448 
VAL   CG1 HG11 sing N N 449 
VAL   CG1 HG12 sing N N 450 
VAL   CG1 HG13 sing N N 451 
VAL   CG2 HG21 sing N N 452 
VAL   CG2 HG22 sing N N 453 
VAL   CG2 HG23 sing N N 454 
VAL   OXT HXT  sing N N 455 
# 
_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                    7HN6 
_atom_sites.fract_transf_matrix[1][1]   0.010443 
_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]   0.010443 
_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]   0.021928 
_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   ? -13.204 -13.010 -9.783  1.00 70.75 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.757 -13.604 -11.094 1.00 65.49 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.683 -12.711 -11.730 1.00 64.39 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.642 -11.495 -11.414 1.00 67.69 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.954 -13.831 -12.045 1.00 59.07 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.539 -12.583 -12.631 1.00 54.91 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.054 -12.018 -13.797 1.00 52.57 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.568 -11.796 -12.235 1.00 51.30 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.740 -10.926 -14.079 1.00 53.71 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.680 -10.764 -13.141 1.00 47.94 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.876 -13.298 -12.615 1.00 58.88 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.804  -12.622 -13.396 1.00 60.61 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.098 -12.740 -14.901 1.00 54.83 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.131  -12.972 -15.658 1.00 54.79 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.428  -13.208 -13.015 1.00 67.05 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.102  -13.101 -11.558 1.00 76.59 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.378  -11.961 -10.816 1.00 76.26 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -7.509  -13.969 -10.707 1.00 79.26 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.986  -12.141 -9.570  1.00 79.60 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -7.447  -13.365 -9.477  1.00 80.35 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.366 -12.574 -15.326 1.00 44.00 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.813 -12.721 -16.747 1.00 37.41 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.781 -11.377 -17.483 1.00 35.90 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.924 -11.379 -18.720 1.00 34.56 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.228 -13.310 -16.837 1.00 34.04 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.341 -14.682 -16.275 1.00 33.84 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.411 -15.688 -16.561 1.00 34.03 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.266 -15.234 -15.465 1.00 33.17 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.766 -16.796 -15.937 1.00 38.70 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.913 -16.543 -15.263 1.00 37.78 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.590 -10.268 -16.761 1.00 37.32 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.687 -8.873  -17.285 1.00 40.23 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.826 -8.674  -18.543 1.00 38.50 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.301 -7.973  -19.467 1.00 38.23 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.337 -7.844  -16.191 1.00 47.12 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.186 -7.958  -14.969 1.00 56.84 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.794 -8.699  -13.858 1.00 69.21 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.408 -7.455  -14.676 1.00 61.24 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.734 -8.636  -12.930 1.00 67.16 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.740 -7.879  -13.409 1.00 63.38 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.631  -9.277  -18.603 1.00 36.01 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.663  -9.154  -19.730 1.00 35.86 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.152  -9.825  -21.025 1.00 34.04 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.491  -9.616  -22.047 1.00 34.55 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.283  -9.695  -19.330 1.00 41.83 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.248  -11.138 -18.973 1.00 44.15 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.662  -12.090 -19.797 1.00 49.58 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.685  -11.798 -17.879 1.00 45.81 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.749  -13.276 -19.232 1.00 45.85 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.377  -13.127 -18.053 1.00 52.07 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.243 -10.603 -21.026 1.00 29.20 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.851 -11.142 -22.283 1.00 25.53 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.980 -10.231 -22.752 1.00 23.92 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.827 -10.699 -23.543 1.00 19.03 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.368 -12.560 -22.084 1.00 24.96 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.304 -13.513 -21.642 1.00 26.81 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.250  -13.861 -22.484 1.00 25.91 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.127 -14.176 -20.479 1.00 27.80 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.458  -14.699 -21.848 1.00 26.65 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.968  -14.917 -20.616 1.00 30.00 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -12.007 -8.994  -22.265 1.00 24.13 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -13.052 -7.996  -22.593 1.00 26.54 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.145 -7.855  -24.119 1.00 25.67 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.116 -7.752  -24.801 1.00 27.84 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.721 -6.651  -21.943 1.00 31.17 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.745 -5.545  -22.181 1.00 37.62 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.349 -5.841  -21.347 1.00 45.46 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.989 -5.218  -19.707 1.00 36.22 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.364 -7.853  -24.651 1.00 20.87 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.669 -7.620  -26.086 1.00 21.82 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.668 -6.451  -26.161 1.00 23.97 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.483 -6.275  -25.225 1.00 21.82 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.169 -8.889  -26.803 1.00 25.45 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.077 -9.955  -26.842 1.00 27.52 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.437 -9.452  -26.179 1.00 25.44 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.604 -5.670  -27.234 1.00 24.26 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.473 -4.489  -27.438 1.00 23.52 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.707 -4.973  -28.201 1.00 22.19 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.603 -5.301  -29.388 1.00 24.97 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.738 -3.389  -28.196 1.00 24.50 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.531 -2.132  -28.400 1.00 28.58 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.678 -1.173  -27.417 1.00 31.01 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.232 -1.692  -29.472 1.00 29.65 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.411 -0.166  -27.883 1.00 29.32 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.775 -0.469  -29.153 1.00 33.06 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.830 -5.116  -27.506 1.00 18.66 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -20.070 -5.656  -28.117 1.00 18.57 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.899 -4.469  -28.645 1.00 19.07 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.929 -3.451  -27.989 1.00 18.25 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.882 -6.485  -27.105 1.00 18.23 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -20.074 -7.694  -26.599 1.00 20.06 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.226 -6.856  -27.744 1.00 17.51 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.548 -8.645  -27.681 1.00 20.09 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.480 -4.624  -29.823 1.00 19.22 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.463 -3.652  -30.375 1.00 19.39 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.733 -4.400  -30.769 1.00 18.80 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.671 -5.615  -31.084 1.00 19.35 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.873 -2.885  -31.558 1.00 20.82 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.550 -3.783  -32.603 1.00 21.38 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.676 -2.047  -31.169 1.00 23.16 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.872 -3.706  -30.747 1.00 16.63 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.169 -4.364  -31.039 1.00 17.77 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.438 -4.350  -32.537 1.00 16.91 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.128 -3.328  -33.198 1.00 18.66 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.254 -3.658  -30.243 1.00 18.46 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -27.027 -3.696  -28.732 1.00 19.17 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.964 -2.776  -27.990 1.00 20.72 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.127 -5.136  -28.208 1.00 19.71 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -27.051 -5.400  -33.027 1.00 16.85 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.401 -5.568  -34.458 1.00 17.34 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.883 -5.163  -34.621 1.00 18.30 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.764 -5.968  -34.337 1.00 16.83 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.113 -6.989  -34.958 1.00 17.74 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.375 -7.244  -36.443 1.00 23.16 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -28.012 -6.387  -37.081 1.00 21.67 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.040 -8.354  -36.931 1.00 23.20 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.100 -3.933  -35.109 0.25 18.66 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.122 -3.948  -35.116 0.25 19.26 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.428 -3.336  -35.440 0.25 20.16 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.486 -3.388  -35.320 0.25 21.07 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.309 -4.373  -36.148 0.25 19.57 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.336 -4.348  -36.173 0.25 20.38 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.528 -4.535  -35.749 0.25 18.47 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.580 -4.459  -35.880 0.25 20.05 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.269 -2.114  -36.361 0.25 21.05 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.395 -1.983  -35.935 0.25 23.18 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.251 -1.092  -35.878 0.25 23.17 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.961 -0.894  -34.962 0.25 25.41 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.351 0.272   -36.552 0.25 23.22 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.519 -0.452  -35.168 0.25 29.25 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.823 1.294   -35.662 0.25 22.93 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.343 0.554   -36.221 0.25 31.81 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.540 1.866   -34.713 0.25 21.44 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.857 0.322   -37.442 0.25 34.51 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.812 1.542   -34.587 0.25 22.25 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.485 -0.890  -37.810 0.25 36.41 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.998 2.755   -33.908 0.25 22.01 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.741 1.318   -38.301 0.25 36.12 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.738 -5.048  -37.161 1.00 19.89 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.528 -5.906  -38.075 1.00 20.95 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.202 -7.084  -37.349 1.00 18.21 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.243 -7.565  -37.846 1.00 18.08 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.675 -6.332  -39.273 1.00 24.18 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.507 -5.197  -40.261 1.00 29.80 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.295 -4.250  -40.281 1.00 38.06 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.477 -5.282  -41.080 1.00 38.47 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.695 -7.487  -36.165 1.00 16.06 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.244 -8.618  -35.390 1.00 15.67 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.293 -8.115  -34.391 1.00 14.91 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.953 -8.937  -33.773 1.00 14.87 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.134 -9.387  -34.648 1.00 15.05 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.601 -8.545  -33.614 1.00 14.91 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.065 -9.917  -35.596 1.00 15.99 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.376 -6.810  -34.167 1.00 14.08 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.196 -6.254  -33.053 1.00 13.86 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.689 -6.433  -33.344 1.00 14.87 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.177 -6.159  -34.448 1.00 14.41 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.880 -4.806  -32.848 1.00 15.00 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.436 -6.762  -32.317 1.00 14.29 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.889 -6.572  -32.311 1.00 13.31 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.164 -5.134  -32.783 1.00 12.75 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.472 -4.160  -32.403 1.00 13.39 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.415 -6.924  -30.923 1.00 13.37 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.889 -6.689  -30.795 1.00 15.55 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.295 -5.558  -30.573 1.00 15.85 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.663 -7.736  -30.870 1.00 17.03 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.249 -4.976  -33.509 1.00 13.45 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.626 -3.710  -34.176 1.00 14.36 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -40.051 -2.629  -33.182 1.00 14.51 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.119 -1.489  -33.623 1.00 15.13 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.724 -3.957  -35.167 1.00 16.59 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.872 -4.405  -34.455 1.00 19.11 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.204 -2.895  -31.882 1.00 13.37 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.491 -1.856  -30.876 1.00 13.15 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.237 -1.405  -30.153 1.00 13.83 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.335 -0.457  -29.376 1.00 15.02 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.500 -2.376  -29.886 1.00 13.39 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.896 -2.471  -30.418 1.00 14.39 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.314 -3.025  -31.603 1.00 14.85 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -44.072 -2.039  -29.724 1.00 16.19 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.688 -2.916  -31.710 1.00 16.67 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.169 -2.353  -30.553 1.00 15.38 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.306 -1.451  -28.470 1.00 16.54 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.486 -2.061  -30.160 1.00 19.59 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.610 -1.182  -28.080 1.00 17.90 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.669 -1.497  -28.910 1.00 18.88 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -38.061 -1.971  -30.475 1.00 14.17 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.841 -1.572  -29.741 1.00 14.33 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.261 -0.290  -30.344 1.00 16.25 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.256 -0.135  -31.585 1.00 15.18 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.799 -2.694  -29.740 1.00 13.14 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.245 -3.980  -29.056 1.00 14.35 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.139 -5.020  -29.016 1.00 14.41 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.739 -3.734  -27.659 1.00 15.00 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.596 0.470   -29.482 1.00 15.50 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.824 1.682   -29.843 1.00 15.51 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.385 1.441   -29.397 1.00 16.06 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.128 1.361   -28.177 1.00 15.03 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.409 2.941   -29.195 1.00 16.15 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.907 3.170   -29.545 1.00 16.74 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.546 4.156   -29.578 1.00 18.27 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.554 4.229   -28.739 1.00 18.02 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.525 1.342   -30.385 1.00 18.01 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -31.063 1.152   -30.202 1.00 19.25 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.390 2.496   -30.389 1.00 20.31 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.684 3.222   -31.397 1.00 21.98 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.536 0.083   -31.148 1.00 18.79 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -31.054 -1.284  -30.725 1.00 21.35 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -29.009 0.095   -31.175 1.00 18.57 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.880 -2.284  -31.705 1.00 24.19 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.515 2.855   -29.464 1.00 19.65 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.830 4.163   -29.478 1.00 19.21 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.911 4.256   -30.714 1.00 19.43 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.539 3.230   -31.299 1.00 19.43 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -28.075 4.319   -28.182 1.00 20.18 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -27.091 3.295   -28.067 1.00 20.70 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.511 5.489   -31.071 1.00 22.49 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.662 5.747   -32.257 1.00 23.41 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.356 4.954   -32.157 1.00 21.77 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.897 4.491   -33.200 1.00 23.40 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.363 7.244   -32.301 1.00 26.25 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.401 7.657   -33.390 1.00 32.01 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.430 9.146   -33.600 1.00 33.62 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.369 9.927   -32.310 1.00 36.88 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.335 11.373  -32.608 1.00 41.20 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.796 4.847   -30.949 1.00 22.53 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.509 4.126   -30.732 1.00 21.67 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.730 2.600   -30.694 1.00 20.78 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.715 1.875   -30.538 1.00 20.17 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.768 4.613   -29.486 1.00 22.70 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.427 4.326   -28.151 1.00 23.06 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.503 3.653   -28.116 1.00 21.85 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.861 4.771   -27.148 1.00 25.81 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.973 2.126   -30.783 1.00 18.92 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.300 0.677   -30.793 1.00 17.98 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.841 0.021   -29.475 1.00 15.38 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.671 -1.211  -29.460 1.00 16.13 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.761 0.003   -32.063 1.00 23.31 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.351 0.612   -33.334 1.00 26.72 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.912 0.017   -34.643 1.00 34.39 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.489 -0.205  -34.816 1.00 44.62 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.856 -1.395  -34.757 1.00 59.32 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.501 -2.531  -34.484 1.00 54.22 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.547 -1.436  -34.970 1.00 62.35 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.797 0.762   -28.389 1.00 16.07 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.414 0.224   -27.062 1.00 17.54 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.575 0.192   -26.076 1.00 17.12 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.382 -0.380  -24.965 1.00 16.70 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.250 1.030   -26.477 1.00 19.43 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -22.025 0.886   -27.366 1.00 20.73 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.170 -0.310  -27.104 1.00 22.46 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.393 -0.099  -25.884 1.00 23.13 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.651 -1.046  -25.299 1.00 22.91 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.550 -2.233  -25.861 1.00 23.35 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.985 -0.773  -24.191 1.00 23.39 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.733 0.782   -26.395 1.00 15.79 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.897 0.809   -25.481 1.00 15.17 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.163 0.437   -26.247 1.00 15.25 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.248 0.666   -27.467 1.00 15.82 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.137 2.209   -24.891 1.00 17.50 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.915 2.848   -24.278 1.00 22.18 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.309 4.075   -23.498 1.00 24.45 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.459 4.246   -23.070 1.00 28.34 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.324 4.919   -23.272 1.00 31.09 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -30.083 -0.216  -25.547 1.00 13.97 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.369 -0.626  -26.159 1.00 13.65 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.450 -0.464  -25.100 1.00 14.22 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.252 -0.842  -23.944 1.00 13.98 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.297 -2.027  -26.786 1.00 12.97 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.880 -3.132  -25.812 1.00 13.54 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.631 -2.373  -27.434 1.00 14.81 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.606 0.033   -25.517 1.00 14.48 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.792 0.101   -24.649 1.00 15.26 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -36.036 -0.206  -25.465 1.00 15.87 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -36.023 -0.103  -26.715 1.00 14.10 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.931 1.467   -23.970 1.00 15.33 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.255 2.616   -24.907 1.00 17.64 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -35.108 3.935   -24.138 1.00 19.99 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.396 5.053   -25.020 1.00 23.31 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.595 5.539   -25.327 1.00 22.54 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.701 5.034   -24.824 1.00 25.77 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.667 6.586   -26.159 1.00 30.15 ? 38  ARG   B NH2 1 
ATOM   283  N N   . MET   A 1 33  ? -37.097 -0.552  -24.738 0.58 16.50 ? 39  MET   B N   1 
ATOM   284  C CA  . MET   A 1 33  ? -38.456 -0.820  -25.275 0.58 18.14 ? 39  MET   B CA  1 
ATOM   285  C C   . MET   A 1 33  ? -39.141 0.520   -25.560 0.58 17.62 ? 39  MET   B C   1 
ATOM   286  O O   . MET   A 1 33  ? -39.296 1.307   -24.611 0.58 18.29 ? 39  MET   B O   1 
ATOM   287  C CB  . MET   A 1 33  ? -39.267 -1.612  -24.245 0.58 19.26 ? 39  MET   B CB  1 
ATOM   288  C CG  . MET   A 1 33  ? -40.631 -2.051  -24.733 0.58 21.43 ? 39  MET   B CG  1 
ATOM   289  S SD  . MET   A 1 33  ? -40.502 -3.155  -26.159 0.58 23.77 ? 39  MET   B SD  1 
ATOM   290  C CE  . MET   A 1 33  ? -42.124 -3.902  -26.159 0.58 22.23 ? 39  MET   B CE  1 
ATOM   291  N N   . GLY   A 1 34  ? -39.506 0.772   -26.820 1.00 17.34 ? 40  GLY   B N   1 
ATOM   292  C CA  . GLY   A 1 34  ? -40.337 1.938   -27.187 1.00 17.73 ? 40  GLY   B CA  1 
ATOM   293  C C   . GLY   A 1 34  ? -41.790 1.736   -26.798 1.00 18.63 ? 40  GLY   B C   1 
ATOM   294  O O   . GLY   A 1 34  ? -42.190 0.610   -26.389 1.00 17.10 ? 40  GLY   B O   1 
ATOM   295  N N   . ASP   A 1 35  ? -42.573 2.824   -26.795 1.00 21.96 ? 41  ASP   B N   1 
ATOM   296  C CA  . ASP   A 1 35  ? -44.009 2.704   -26.403 1.00 24.59 ? 41  ASP   B CA  1 
ATOM   297  C C   . ASP   A 1 35  ? -44.862 2.388   -27.651 1.00 21.38 ? 41  ASP   B C   1 
ATOM   298  O O   . ASP   A 1 35  ? -46.084 2.174   -27.460 1.00 22.24 ? 41  ASP   B O   1 
ATOM   299  C CB  . ASP   A 1 35  ? -44.505 3.922   -25.600 1.00 30.73 ? 41  ASP   B CB  1 
ATOM   300  C CG  . ASP   A 1 35  ? -43.978 4.052   -24.156 1.00 40.48 ? 41  ASP   B CG  1 
ATOM   301  O OD1 . ASP   A 1 35  ? -43.602 3.018   -23.550 1.00 45.28 ? 41  ASP   B OD1 1 
ATOM   302  O OD2 . ASP   A 1 35  ? -43.978 5.196   -23.605 1.00 40.76 ? 41  ASP   B OD2 1 
ATOM   303  N N   . THR   A 1 36  ? -44.248 2.191   -28.815 1.00 17.69 ? 42  THR   B N   1 
ATOM   304  C CA  . THR   A 1 36  ? -44.951 1.845   -30.081 1.00 18.61 ? 42  THR   B CA  1 
ATOM   305  C C   . THR   A 1 36  ? -43.998 1.171   -31.073 1.00 16.00 ? 42  THR   B C   1 
ATOM   306  O O   . THR   A 1 36  ? -42.725 1.189   -30.885 1.00 15.54 ? 42  THR   B O   1 
ATOM   307  C CB  . THR   A 1 36  ? -45.540 3.124   -30.701 1.00 18.40 ? 42  THR   B CB  1 
ATOM   308  O OG1 . THR   A 1 36  ? -46.409 2.797   -31.771 1.00 23.20 ? 42  THR   B OG1 1 
ATOM   309  C CG2 . THR   A 1 36  ? -44.459 3.977   -31.298 1.00 19.60 ? 42  THR   B CG2 1 
ATOM   310  N N   . HIS   A 1 37  ? -44.509 0.673   -32.194 1.00 18.19 ? 43  HIS   B N   1 
ATOM   311  C CA  . HIS   A 1 37  ? -43.677 0.225   -33.350 1.00 17.61 ? 43  HIS   B CA  1 
ATOM   312  C C   . HIS   A 1 37  ? -42.708 1.336   -33.779 1.00 17.77 ? 43  HIS   B C   1 
ATOM   313  O O   . HIS   A 1 37  ? -43.159 2.498   -33.953 1.00 18.49 ? 43  HIS   B O   1 
ATOM   314  C CB  . HIS   A 1 37  ? -44.615 -0.230  -34.465 1.00 16.84 ? 43  HIS   B CB  1 
ATOM   315  C CG  . HIS   A 1 37  ? -44.000 -0.888  -35.657 1.00 16.20 ? 43  HIS   B CG  1 
ATOM   316  N ND1 . HIS   A 1 37  ? -43.219 -0.232  -36.579 1.00 15.76 ? 43  HIS   B ND1 1 
ATOM   317  C CD2 . HIS   A 1 37  ? -44.091 -2.179  -36.093 1.00 16.25 ? 43  HIS   B CD2 1 
ATOM   318  C CE1 . HIS   A 1 37  ? -42.871 -1.055  -37.534 1.00 16.48 ? 43  HIS   B CE1 1 
ATOM   319  N NE2 . HIS   A 1 37  ? -43.391 -2.279  -37.264 1.00 15.56 ? 43  HIS   B NE2 1 
ATOM   320  N N   . GLN   A 1 38  ? -41.418 1.014   -34.021 1.00 16.37 ? 44  GLN   B N   1 
ATOM   321  C CA  . GLN   A 1 38  ? -40.385 2.025   -34.323 1.00 16.22 ? 44  GLN   B CA  1 
ATOM   322  C C   . GLN   A 1 38  ? -40.203 2.297   -35.830 1.00 17.19 ? 44  GLN   B C   1 
ATOM   323  O O   . GLN   A 1 38  ? -39.162 2.888   -36.229 1.00 18.12 ? 44  GLN   B O   1 
ATOM   324  C CB  . GLN   A 1 38  ? -39.085 1.648   -33.613 1.00 16.17 ? 44  GLN   B CB  1 
ATOM   325  C CG  . GLN   A 1 38  ? -39.251 1.725   -32.124 1.00 15.76 ? 44  GLN   B CG  1 
ATOM   326  C CD  . GLN   A 1 38  ? -39.725 3.064   -31.616 1.00 17.10 ? 44  GLN   B CD  1 
ATOM   327  O OE1 . GLN   A 1 38  ? -40.703 3.183   -30.864 1.00 20.15 ? 44  GLN   B OE1 1 
ATOM   328  N NE2 . GLN   A 1 38  ? -39.082 4.121   -32.061 1.00 16.28 ? 44  GLN   B NE2 1 
ATOM   329  N N   . ASN   A 1 39  ? -41.176 1.953   -36.664 1.00 16.10 ? 45  ASN   B N   1 
ATOM   330  C CA  . ASN   A 1 39  ? -41.238 2.431   -38.080 1.00 15.70 ? 45  ASN   B CA  1 
ATOM   331  C C   . ASN   A 1 39  ? -40.137 1.804   -38.934 1.00 17.14 ? 45  ASN   B C   1 
ATOM   332  O O   . ASN   A 1 39  ? -39.673 2.410   -39.917 1.00 19.50 ? 45  ASN   B O   1 
ATOM   333  C CB  . ASN   A 1 39  ? -41.316 3.972   -38.155 1.00 17.23 ? 45  ASN   B CB  1 
ATOM   334  C CG  . ASN   A 1 39  ? -41.928 4.429   -39.476 1.00 16.80 ? 45  ASN   B CG  1 
ATOM   335  O OD1 . ASN   A 1 39  ? -42.751 3.722   -40.032 1.00 16.46 ? 45  ASN   B OD1 1 
ATOM   336  N ND2 . ASN   A 1 39  ? -41.505 5.565   -40.046 1.00 16.39 ? 45  ASN   B ND2 1 
ATOM   337  N N   . VAL   A 1 40  ? -39.814 0.529   -38.659 1.00 19.30 ? 46  VAL   B N   1 
ATOM   338  C CA  . VAL   A 1 40  ? -38.839 -0.280  -39.442 1.00 20.09 ? 46  VAL   B CA  1 
ATOM   339  C C   . VAL   A 1 40  ? -39.616 -1.313  -40.266 1.00 18.77 ? 46  VAL   B C   1 
ATOM   340  O O   . VAL   A 1 40  ? -40.683 -1.723  -39.818 1.00 19.04 ? 46  VAL   B O   1 
ATOM   341  C CB  . VAL   A 1 40  ? -37.805 -0.953  -38.515 1.00 21.33 ? 46  VAL   B CB  1 
ATOM   342  C CG1 . VAL   A 1 40  ? -36.894 0.083   -37.886 1.00 24.50 ? 46  VAL   B CG1 1 
ATOM   343  C CG2 . VAL   A 1 40  ? -38.443 -1.820  -37.440 1.00 24.17 ? 46  VAL   B CG2 1 
ATOM   344  N N   . SER   A 1 41  ? -39.060 -1.757  -41.396 1.00 20.24 ? 47  SER   B N   1 
ATOM   345  C CA  . SER   A 1 41  ? -39.600 -2.889  -42.178 1.00 20.71 ? 47  SER   B CA  1 
ATOM   346  C C   . SER   A 1 41  ? -39.375 -4.208  -41.433 1.00 19.95 ? 47  SER   B C   1 
ATOM   347  O O   . SER   A 1 41  ? -38.442 -4.311  -40.635 1.00 18.73 ? 47  SER   B O   1 
ATOM   348  C CB  . SER   A 1 41  ? -39.019 -2.960  -43.588 1.00 23.47 ? 47  SER   B CB  1 
ATOM   349  O OG  . SER   A 1 41  ? -37.603 -3.096  -43.506 1.00 24.14 ? 47  SER   B OG  1 
ATOM   350  N N   . ASP   A 1 42  ? -40.221 -5.189  -41.681 1.00 19.09 ? 48  ASP   B N   1 
ATOM   351  C CA  . ASP   A 1 42  ? -40.052 -6.542  -41.123 1.00 19.03 ? 48  ASP   B CA  1 
ATOM   352  C C   . ASP   A 1 42  ? -38.956 -7.267  -41.911 1.00 21.33 ? 48  ASP   B C   1 
ATOM   353  O O   . ASP   A 1 42  ? -38.714 -6.942  -43.091 1.00 20.76 ? 48  ASP   B O   1 
ATOM   354  C CB  . ASP   A 1 42  ? -41.369 -7.290  -41.097 1.00 20.36 ? 48  ASP   B CB  1 
ATOM   355  C CG  . ASP   A 1 42  ? -41.286 -8.535  -40.243 1.00 23.77 ? 48  ASP   B CG  1 
ATOM   356  O OD1 . ASP   A 1 42  ? -40.582 -8.504  -39.161 1.00 19.23 ? 48  ASP   B OD1 1 
ATOM   357  O OD2 . ASP   A 1 42  ? -41.810 -9.549  -40.723 1.00 29.83 ? 48  ASP   B OD2 1 
ATOM   358  N N   . ASN   A 1 43  ? -38.300 -8.230  -41.269 1.00 19.94 ? 49  ASN   B N   1 
ATOM   359  C CA  . ASN   A 1 43  ? -37.302 -9.108  -41.930 1.00 19.74 ? 49  ASN   B CA  1 
ATOM   360  C C   . ASN   A 1 43  ? -37.265 -10.431 -41.159 1.00 20.06 ? 49  ASN   B C   1 
ATOM   361  O O   . ASN   A 1 43  ? -37.815 -10.518 -40.033 1.00 20.21 ? 49  ASN   B O   1 
ATOM   362  C CB  . ASN   A 1 43  ? -35.944 -8.449  -42.107 1.00 19.04 ? 49  ASN   B CB  1 
ATOM   363  C CG  . ASN   A 1 43  ? -35.217 -8.257  -40.797 1.00 19.13 ? 49  ASN   B CG  1 
ATOM   364  O OD1 . ASN   A 1 43  ? -35.001 -9.224  -40.069 1.00 21.99 ? 49  ASN   B OD1 1 
ATOM   365  N ND2 . ASN   A 1 43  ? -34.836 -7.056  -40.485 1.00 18.92 ? 49  ASN   B ND2 1 
ATOM   366  N N   . LYS   A 1 44  ? -36.629 -11.434 -41.729 1.00 19.16 ? 50  LYS   B N   1 
ATOM   367  C CA  . LYS   A 1 44  ? -36.675 -12.800 -41.153 1.00 21.42 ? 50  LYS   B CA  1 
ATOM   368  C C   . LYS   A 1 44  ? -35.776 -12.874 -39.898 1.00 18.97 ? 50  LYS   B C   1 
ATOM   369  O O   . LYS   A 1 44  ? -35.937 -13.885 -39.135 1.00 19.55 ? 50  LYS   B O   1 
ATOM   370  C CB  . LYS   A 1 44  ? -36.211 -13.814 -42.211 1.00 25.09 ? 50  LYS   B CB  1 
ATOM   371  C CG  . LYS   A 1 44  ? -34.804 -13.591 -42.720 1.00 30.90 ? 50  LYS   B CG  1 
ATOM   372  C CD  . LYS   A 1 44  ? -34.383 -14.564 -43.823 1.00 40.56 ? 50  LYS   B CD  1 
ATOM   373  C CE  . LYS   A 1 44  ? -32.879 -14.766 -43.839 1.00 46.94 ? 50  LYS   B CE  1 
ATOM   374  N NZ  . LYS   A 1 44  ? -32.480 -15.784 -44.841 1.00 53.93 ? 50  LYS   B NZ  1 
ATOM   375  N N   . GLU   A 1 45  ? -34.872 -11.915 -39.698 1.00 18.35 ? 51  GLU   B N   1 
ATOM   376  C CA  . GLU   A 1 45  ? -33.955 -11.920 -38.524 1.00 19.48 ? 51  GLU   B CA  1 
ATOM   377  C C   . GLU   A 1 45  ? -34.697 -11.429 -37.266 1.00 18.12 ? 51  GLU   B C   1 
ATOM   378  O O   . GLU   A 1 45  ? -34.277 -11.788 -36.144 1.00 18.92 ? 51  GLU   B O   1 
ATOM   379  C CB  . GLU   A 1 45  ? -32.718 -11.070 -38.766 1.00 22.26 ? 51  GLU   B CB  1 
ATOM   380  C CG  . GLU   A 1 45  ? -31.816 -11.522 -39.919 1.00 26.45 ? 51  GLU   B CG  1 
ATOM   381  C CD  . GLU   A 1 45  ? -30.660 -10.551 -40.076 1.00 32.49 ? 51  GLU   B CD  1 
ATOM   382  O OE1 . GLU   A 1 45  ? -30.670 -9.763  -41.057 1.00 38.65 ? 51  GLU   B OE1 1 
ATOM   383  O OE2 . GLU   A 1 45  ? -29.794 -10.501 -39.185 1.00 36.16 ? 51  GLU   B OE2 1 
ATOM   384  N N   . ARG   A 1 46  ? -35.722 -10.587 -37.398 1.00 16.34 ? 52  ARG   B N   1 
ATOM   385  C CA  . ARG   A 1 46  ? -36.278 -9.896  -36.203 1.00 16.42 ? 52  ARG   B CA  1 
ATOM   386  C C   . ARG   A 1 46  ? -36.966 -10.870 -35.248 1.00 14.67 ? 52  ARG   B C   1 
ATOM   387  O O   . ARG   A 1 46  ? -37.826 -11.708 -35.665 1.00 16.77 ? 52  ARG   B O   1 
ATOM   388  C CB  . ARG   A 1 46  ? -37.290 -8.809  -36.591 1.00 15.60 ? 52  ARG   B CB  1 
ATOM   389  C CG  . ARG   A 1 46  ? -36.717 -7.643  -37.373 1.00 16.15 ? 52  ARG   B CG  1 
ATOM   390  C CD  . ARG   A 1 46  ? -37.626 -6.418  -37.333 1.00 16.04 ? 52  ARG   B CD  1 
ATOM   391  N NE  . ARG   A 1 46  ? -37.103 -5.387  -38.218 1.00 17.20 ? 52  ARG   B NE  1 
ATOM   392  C CZ  . ARG   A 1 46  ? -36.009 -4.683  -37.981 1.00 17.52 ? 52  ARG   B CZ  1 
ATOM   393  N NH1 . ARG   A 1 46  ? -35.388 -4.740  -36.797 1.00 15.87 ? 52  ARG   B NH1 1 
ATOM   394  N NH2 . ARG   A 1 46  ? -35.562 -3.855  -38.919 1.00 20.15 ? 52  ARG   B NH2 1 
ATOM   395  N N   . PHE   A 1 47  ? -36.700 -10.752 -33.947 1.00 14.51 ? 53  PHE   B N   1 
ATOM   396  C CA  . PHE   A 1 47  ? -37.503 -11.489 -32.952 1.00 13.50 ? 53  PHE   B CA  1 
ATOM   397  C C   . PHE   A 1 47  ? -38.927 -10.900 -32.954 1.00 15.00 ? 53  PHE   B C   1 
ATOM   398  O O   . PHE   A 1 47  ? -39.057 -9.688  -32.696 1.00 15.48 ? 53  PHE   B O   1 
ATOM   399  C CB  . PHE   A 1 47  ? -36.894 -11.425 -31.553 1.00 13.89 ? 53  PHE   B CB  1 
ATOM   400  C CG  . PHE   A 1 47  ? -35.644 -12.260 -31.407 1.00 12.50 ? 53  PHE   B CG  1 
ATOM   401  C CD1 . PHE   A 1 47  ? -35.744 -13.622 -31.166 1.00 13.62 ? 53  PHE   B CD1 1 
ATOM   402  C CD2 . PHE   A 1 47  ? -34.387 -11.686 -31.504 1.00 14.44 ? 53  PHE   B CD2 1 
ATOM   403  C CE1 . PHE   A 1 47  ? -34.599 -14.398 -31.028 1.00 14.05 ? 53  PHE   B CE1 1 
ATOM   404  C CE2 . PHE   A 1 47  ? -33.250 -12.473 -31.349 1.00 14.62 ? 53  PHE   B CE2 1 
ATOM   405  C CZ  . PHE   A 1 47  ? -33.366 -13.836 -31.156 1.00 13.31 ? 53  PHE   B CZ  1 
ATOM   406  N N   . SER   A 1 48  ? -39.952 -11.700 -33.218 1.00 16.08 ? 54  SER   B N   1 
ATOM   407  C CA  . SER   A 1 48  ? -41.325 -11.177 -33.414 1.00 16.66 ? 54  SER   B CA  1 
ATOM   408  C C   . SER   A 1 48  ? -42.092 -11.065 -32.092 1.00 17.06 ? 54  SER   B C   1 
ATOM   409  O O   . SER   A 1 48  ? -42.873 -10.113 -31.959 1.00 20.00 ? 54  SER   B O   1 
ATOM   410  C CB  . SER   A 1 48  ? -42.077 -12.011 -34.430 1.00 17.02 ? 54  SER   B CB  1 
ATOM   411  O OG  . SER   A 1 48  ? -42.226 -13.339 -34.001 1.00 16.83 ? 54  SER   B OG  1 
ATOM   412  N N   . ASN   A 1 49  ? -41.936 -11.989 -31.166 1.00 16.16 ? 55  ASN   B N   1 
ATOM   413  C CA  . ASN   A 1 49  ? -42.873 -12.172 -30.024 1.00 16.19 ? 55  ASN   B CA  1 
ATOM   414  C C   . ASN   A 1 49  ? -42.387 -11.485 -28.744 1.00 16.38 ? 55  ASN   B C   1 
ATOM   415  O O   . ASN   A 1 49  ? -43.187 -11.366 -27.781 1.00 17.26 ? 55  ASN   B O   1 
ATOM   416  C CB  . ASN   A 1 49  ? -43.160 -13.625 -29.718 1.00 17.43 ? 55  ASN   B CB  1 
ATOM   417  C CG  . ASN   A 1 49  ? -44.087 -14.306 -30.720 1.00 22.41 ? 55  ASN   B CG  1 
ATOM   418  O OD1 . ASN   A 1 49  ? -43.933 -14.161 -31.931 1.00 22.38 ? 55  ASN   B OD1 1 
ATOM   419  N ND2 . ASN   A 1 49  ? -45.016 -15.107 -30.205 1.00 25.18 ? 55  ASN   B ND2 1 
ATOM   420  N N   . TYR   A 1 50  ? -41.101 -11.127 -28.692 1.00 13.93 ? 56  TYR   B N   1 
ATOM   421  C CA  . TYR   A 1 50  ? -40.465 -10.676 -27.434 1.00 13.65 ? 56  TYR   B CA  1 
ATOM   422  C C   . TYR   A 1 50  ? -39.512 -9.528  -27.756 1.00 13.88 ? 56  TYR   B C   1 
ATOM   423  O O   . TYR   A 1 50  ? -38.971 -9.424  -28.870 1.00 14.15 ? 56  TYR   B O   1 
ATOM   424  C CB  . TYR   A 1 50  ? -39.664 -11.810 -26.791 1.00 13.90 ? 56  TYR   B CB  1 
ATOM   425  C CG  . TYR   A 1 50  ? -40.379 -13.132 -26.683 1.00 14.78 ? 56  TYR   B CG  1 
ATOM   426  C CD1 . TYR   A 1 50  ? -41.397 -13.315 -25.751 1.00 15.81 ? 56  TYR   B CD1 1 
ATOM   427  C CD2 . TYR   A 1 50  ? -40.063 -14.197 -27.508 1.00 15.27 ? 56  TYR   B CD2 1 
ATOM   428  C CE1 . TYR   A 1 50  ? -42.069 -14.532 -25.639 1.00 18.14 ? 56  TYR   B CE1 1 
ATOM   429  C CE2 . TYR   A 1 50  ? -40.751 -15.396 -27.445 1.00 15.61 ? 56  TYR   B CE2 1 
ATOM   430  C CZ  . TYR   A 1 50  ? -41.748 -15.569 -26.494 1.00 17.38 ? 56  TYR   B CZ  1 
ATOM   431  O OH  . TYR   A 1 50  ? -42.376 -16.783 -26.405 1.00 18.07 ? 56  TYR   B OH  1 
ATOM   432  N N   . PRO   A 1 51  ? -39.212 -8.672  -26.752 1.00 13.12 ? 57  PRO   B N   1 
ATOM   433  C CA  . PRO   A 1 51  ? -38.339 -7.502  -26.937 1.00 13.41 ? 57  PRO   B CA  1 
ATOM   434  C C   . PRO   A 1 51  ? -36.828 -7.814  -26.930 1.00 11.76 ? 57  PRO   B C   1 
ATOM   435  O O   . PRO   A 1 51  ? -36.090 -7.293  -26.130 1.00 13.40 ? 57  PRO   B O   1 
ATOM   436  C CB  . PRO   A 1 51  ? -38.711 -6.566  -25.757 1.00 14.24 ? 57  PRO   B CB  1 
ATOM   437  C CG  . PRO   A 1 51  ? -39.961 -7.175  -25.148 1.00 14.21 ? 57  PRO   B CG  1 
ATOM   438  C CD  . PRO   A 1 51  ? -39.881 -8.639  -25.461 1.00 13.88 ? 57  PRO   B CD  1 
ATOM   439  N N   . MET   A 1 52  ? -36.439 -8.699  -27.864 1.00 12.90 ? 58  MET   B N   1 
ATOM   440  C CA  . MET   A 1 52  ? -35.074 -9.286  -27.963 1.00 11.76 ? 58  MET   B CA  1 
ATOM   441  C C   . MET   A 1 52  ? -34.273 -8.680  -29.111 1.00 12.76 ? 58  MET   B C   1 
ATOM   442  O O   . MET   A 1 52  ? -34.798 -8.196  -30.135 1.00 13.11 ? 58  MET   B O   1 
ATOM   443  C CB  . MET   A 1 52  ? -35.185 -10.813 -28.127 1.00 12.07 ? 58  MET   B CB  1 
ATOM   444  C CG  . MET   A 1 52  ? -35.797 -11.491 -26.927 1.00 12.22 ? 58  MET   B CG  1 
ATOM   445  S SD  . MET   A 1 52  ? -36.275 -13.195 -27.354 1.00 13.83 ? 58  MET   B SD  1 
ATOM   446  C CE  . MET   A 1 52  ? -36.857 -13.865 -25.798 1.00 13.94 ? 58  MET   B CE  1 
ATOM   447  N N   . VAL   A 1 53  ? -32.955 -8.743  -28.959 1.00 11.91 ? 59  VAL   B N   1 
ATOM   448  C CA  . VAL   A 1 53  ? -31.974 -8.266  -29.968 1.00 12.40 ? 59  VAL   B CA  1 
ATOM   449  C C   . VAL   A 1 53  ? -30.661 -9.030  -29.744 1.00 13.07 ? 59  VAL   B C   1 
ATOM   450  O O   . VAL   A 1 53  ? -30.384 -9.458  -28.578 1.00 12.52 ? 59  VAL   B O   1 
ATOM   451  C CB  . VAL   A 1 53  ? -31.804 -6.734  -29.913 1.00 13.06 ? 59  VAL   B CB  1 
ATOM   452  C CG1 . VAL   A 1 53  ? -31.248 -6.282  -28.592 1.00 13.28 ? 59  VAL   B CG1 1 
ATOM   453  C CG2 . VAL   A 1 53  ? -30.931 -6.201  -31.054 1.00 13.21 ? 59  VAL   B CG2 1 
ATOM   454  N N   . LEU   A 1 54  ? -29.912 -9.224  -30.803 1.00 12.68 ? 60  LEU   B N   1 
ATOM   455  C CA  . LEU   A 1 54  ? -28.578 -9.867  -30.727 1.00 12.95 ? 60  LEU   B CA  1 
ATOM   456  C C   . LEU   A 1 54  ? -27.467 -8.844  -30.850 1.00 13.56 ? 60  LEU   B C   1 
ATOM   457  O O   . LEU   A 1 54  ? -27.577 -7.742  -31.533 1.00 14.22 ? 60  LEU   B O   1 
ATOM   458  C CB  . LEU   A 1 54  ? -28.410 -10.920 -31.832 1.00 13.45 ? 60  LEU   B CB  1 
ATOM   459  C CG  . LEU   A 1 54  ? -29.477 -11.994 -31.889 1.00 14.11 ? 60  LEU   B CG  1 
ATOM   460  C CD1 . LEU   A 1 54  ? -29.189 -13.080 -32.907 1.00 16.15 ? 60  LEU   B CD1 1 
ATOM   461  C CD2 . LEU   A 1 54  ? -29.715 -12.625 -30.514 1.00 14.08 ? 60  LEU   B CD2 1 
ATOM   462  N N   . GLY   A 1 55  ? -26.329 -9.200  -30.278 1.00 13.46 ? 61  GLY   B N   1 
ATOM   463  C CA  . GLY   A 1 55  ? -25.076 -8.501  -30.626 1.00 14.09 ? 61  GLY   B CA  1 
ATOM   464  C C   . GLY   A 1 55  ? -24.690 -8.782  -32.065 1.00 13.35 ? 61  GLY   B C   1 
ATOM   465  O O   . GLY   A 1 55  ? -24.984 -9.878  -32.567 1.00 15.28 ? 61  GLY   B O   1 
ATOM   466  N N   . ALA   A 1 56  ? -23.908 -7.919  -32.660 1.00 16.29 ? 62  ALA   B N   1 
ATOM   467  C CA  . ALA   A 1 56  ? -23.426 -8.089  -34.050 1.00 17.90 ? 62  ALA   B CA  1 
ATOM   468  C C   . ALA   A 1 56  ? -22.295 -9.135  -34.091 1.00 19.15 ? 62  ALA   B C   1 
ATOM   469  O O   . ALA   A 1 56  ? -22.119 -9.803  -35.147 1.00 22.41 ? 62  ALA   B O   1 
ATOM   470  C CB  . ALA   A 1 56  ? -22.978 -6.743  -34.539 1.00 19.45 ? 62  ALA   B CB  1 
ATOM   471  N N   . GLN   A 1 57  ? -21.538 -9.257  -32.999 1.00 18.77 ? 63  GLN   B N   1 
ATOM   472  C CA  . GLN   A 1 57  ? -20.327 -10.109 -32.959 1.00 18.80 ? 63  GLN   B CA  1 
ATOM   473  C C   . GLN   A 1 57  ? -20.759 -11.575 -33.000 1.00 20.93 ? 63  GLN   B C   1 
ATOM   474  O O   . GLN   A 1 57  ? -21.782 -11.945 -32.370 1.00 18.77 ? 63  GLN   B O   1 
ATOM   475  C CB  . GLN   A 1 57  ? -19.487 -9.766  -31.716 1.00 19.63 ? 63  GLN   B CB  1 
ATOM   476  C CG  . GLN   A 1 57  ? -18.798 -8.405  -31.766 1.00 22.76 ? 63  GLN   B CG  1 
ATOM   477  C CD  . GLN   A 1 57  ? -19.766 -7.242  -31.647 1.00 22.35 ? 63  GLN   B CD  1 
ATOM   478  O OE1 . GLN   A 1 57  ? -20.716 -7.283  -30.880 1.00 21.01 ? 63  GLN   B OE1 1 
ATOM   479  N NE2 . GLN   A 1 57  ? -19.553 -6.164  -32.378 1.00 24.87 ? 63  GLN   B NE2 1 
ATOM   480  N N   . ARG   A 1 58  ? -20.004 -12.422 -33.717 1.00 19.16 ? 64  ARG   B N   1 
ATOM   481  C CA  . ARG   A 1 58  ? -20.170 -13.887 -33.710 1.00 19.28 ? 64  ARG   B CA  1 
ATOM   482  C C   . ARG   A 1 58  ? -18.896 -14.516 -33.140 1.00 17.96 ? 64  ARG   B C   1 
ATOM   483  O O   . ARG   A 1 58  ? -17.794 -14.072 -33.496 1.00 20.56 ? 64  ARG   B O   1 
ATOM   484  C CB  . ARG   A 1 58  ? -20.351 -14.454 -35.126 1.00 24.87 ? 64  ARG   B CB  1 
ATOM   485  C CG  . ARG   A 1 58  ? -21.732 -14.286 -35.760 1.00 31.57 ? 64  ARG   B CG  1 
ATOM   486  C CD  . ARG   A 1 58  ? -22.267 -12.869 -35.722 1.00 34.53 ? 64  ARG   B CD  1 
ATOM   487  N NE  . ARG   A 1 58  ? -23.140 -12.273 -36.756 1.00 40.99 ? 64  ARG   B NE  1 
ATOM   488  C CZ  . ARG   A 1 58  ? -23.803 -12.860 -37.761 1.00 39.68 ? 64  ARG   B CZ  1 
ATOM   489  N NH1 . ARG   A 1 58  ? -24.541 -12.100 -38.553 1.00 46.47 ? 64  ARG   B NH1 1 
ATOM   490  N NH2 . ARG   A 1 58  ? -23.771 -14.157 -37.992 1.00 43.63 ? 64  ARG   B NH2 1 
ATOM   491  N N   . PHE   A 1 59  ? -19.038 -15.481 -32.246 1.00 18.38 ? 65  PHE   B N   1 
ATOM   492  C CA  . PHE   A 1 59  ? -17.879 -16.145 -31.586 1.00 18.34 ? 65  PHE   B CA  1 
ATOM   493  C C   . PHE   A 1 59  ? -17.944 -17.650 -31.857 1.00 17.33 ? 65  PHE   B C   1 
ATOM   494  O O   . PHE   A 1 59  ? -18.973 -18.286 -31.596 1.00 15.22 ? 65  PHE   B O   1 
ATOM   495  C CB  . PHE   A 1 59  ? -17.949 -15.884 -30.073 1.00 20.57 ? 65  PHE   B CB  1 
ATOM   496  C CG  . PHE   A 1 59  ? -17.950 -14.411 -29.724 1.00 21.49 ? 65  PHE   B CG  1 
ATOM   497  C CD1 . PHE   A 1 59  ? -16.938 -13.580 -30.178 1.00 24.07 ? 65  PHE   B CD1 1 
ATOM   498  C CD2 . PHE   A 1 59  ? -18.927 -13.869 -28.927 1.00 28.32 ? 65  PHE   B CD2 1 
ATOM   499  C CE1 . PHE   A 1 59  ? -16.907 -12.227 -29.863 1.00 27.79 ? 65  PHE   B CE1 1 
ATOM   500  C CE2 . PHE   A 1 59  ? -18.879 -12.521 -28.590 1.00 23.11 ? 65  PHE   B CE2 1 
ATOM   501  C CZ  . PHE   A 1 59  ? -17.894 -11.707 -29.075 1.00 24.53 ? 65  PHE   B CZ  1 
ATOM   502  N N   A SER   A 1 60  ? -16.852 -18.232 -32.365 0.25 17.18 ? 66  SER   B N   1 
ATOM   503  N N   B SER   A 1 60  ? -16.846 -18.222 -32.363 0.25 17.59 ? 66  SER   B N   1 
ATOM   504  C CA  A SER   A 1 60  ? -16.761 -19.691 -32.640 0.25 16.99 ? 66  SER   B CA  1 
ATOM   505  C CA  B SER   A 1 60  ? -16.723 -19.675 -32.654 0.25 17.70 ? 66  SER   B CA  1 
ATOM   506  C C   A SER   A 1 60  ? -15.537 -20.302 -31.939 0.25 16.86 ? 66  SER   B C   1 
ATOM   507  C C   B SER   A 1 60  ? -15.452 -20.242 -32.021 0.25 17.95 ? 66  SER   B C   1 
ATOM   508  O O   A SER   A 1 60  ? -15.368 -21.535 -32.020 0.25 16.55 ? 66  SER   B O   1 
ATOM   509  O O   B SER   A 1 60  ? -15.064 -21.361 -32.385 0.25 17.60 ? 66  SER   B O   1 
ATOM   510  C CB  A SER   A 1 60  ? -16.774 -19.958 -34.126 0.25 17.06 ? 66  SER   B CB  1 
ATOM   511  C CB  B SER   A 1 60  ? -16.712 -19.919 -34.124 0.25 17.62 ? 66  SER   B CB  1 
ATOM   512  O OG  A SER   A 1 60  ? -18.101 -19.834 -34.654 0.25 17.11 ? 66  SER   B OG  1 
ATOM   513  O OG  B SER   A 1 60  ? -15.623 -19.240 -34.713 0.25 17.62 ? 66  SER   B OG  1 
ATOM   514  N N   A SER   A 1 61  ? -14.767 -19.490 -31.207 0.25 16.69 ? 67  SER   B N   1 
ATOM   515  N N   B SER   A 1 61  ? -14.829 -19.499 -31.108 0.25 18.71 ? 67  SER   B N   1 
ATOM   516  C CA  A SER   A 1 61  ? -13.557 -19.928 -30.469 0.25 17.58 ? 67  SER   B CA  1 
ATOM   517  C CA  B SER   A 1 61  ? -13.556 -19.900 -30.473 0.25 20.27 ? 67  SER   B CA  1 
ATOM   518  C C   A SER   A 1 61  ? -13.230 -18.931 -29.357 0.25 18.82 ? 67  SER   B C   1 
ATOM   519  C C   B SER   A 1 61  ? -13.154 -18.886 -29.409 0.25 20.44 ? 67  SER   B C   1 
ATOM   520  O O   A SER   A 1 61  ? -13.808 -17.831 -29.366 0.25 17.88 ? 67  SER   B O   1 
ATOM   521  O O   B SER   A 1 61  ? -13.569 -17.716 -29.527 0.25 18.75 ? 67  SER   B O   1 
ATOM   522  C CB  A SER   A 1 61  ? -12.390 -20.073 -31.419 0.25 17.66 ? 67  SER   B CB  1 
ATOM   523  C CB  B SER   A 1 61  ? -12.483 -20.028 -31.519 0.25 21.88 ? 67  SER   B CB  1 
ATOM   524  O OG  A SER   A 1 61  ? -11.879 -18.800 -31.769 0.25 16.31 ? 67  SER   B OG  1 
ATOM   525  O OG  B SER   A 1 61  ? -11.243 -20.308 -30.903 0.25 24.21 ? 67  SER   B OG  1 
ATOM   526  N N   . GLY   A 1 62  ? -12.324 -19.310 -28.452 1.00 20.49 ? 68  GLY   B N   1 
ATOM   527  C CA  . GLY   A 1 62  ? -11.699 -18.358 -27.521 1.00 22.46 ? 68  GLY   B CA  1 
ATOM   528  C C   . GLY   A 1 62  ? -12.528 -18.076 -26.282 1.00 18.74 ? 68  GLY   B C   1 
ATOM   529  O O   . GLY   A 1 62  ? -13.534 -18.762 -26.044 1.00 18.55 ? 68  GLY   B O   1 
ATOM   530  N N   . LYS   A 1 63  ? -12.038 -17.096 -25.541 1.00 18.52 ? 69  LYS   B N   1 
ATOM   531  C CA  . LYS   A 1 63  ? -12.618 -16.611 -24.286 1.00 17.19 ? 69  LYS   B CA  1 
ATOM   532  C C   . LYS   A 1 63  ? -13.030 -15.155 -24.516 1.00 17.42 ? 69  LYS   B C   1 
ATOM   533  O O   . LYS   A 1 63  ? -12.253 -14.351 -25.045 1.00 19.07 ? 69  LYS   B O   1 
ATOM   534  C CB  . LYS   A 1 63  ? -11.625 -16.799 -23.147 1.00 18.75 ? 69  LYS   B CB  1 
ATOM   535  C CG  . LYS   A 1 63  ? -11.208 -18.230 -22.851 1.00 19.36 ? 69  LYS   B CG  1 
ATOM   536  C CD  . LYS   A 1 63  ? -10.048 -18.266 -21.837 1.00 22.88 ? 69  LYS   B CD  1 
ATOM   537  C CE  . LYS   A 1 63  ? -9.644  -19.675 -21.478 1.00 25.77 ? 69  LYS   B CE  1 
ATOM   538  N NZ  . LYS   A 1 63  ? -8.671  -19.655 -20.369 1.00 28.43 ? 69  LYS   B NZ  1 
ATOM   539  N N   . MET   A 1 64  ? -14.257 -14.829 -24.117 1.00 16.56 ? 70  MET   B N   1 
ATOM   540  C CA  . MET   A 1 64  ? -14.896 -13.513 -24.341 1.00 16.35 ? 70  MET   B CA  1 
ATOM   541  C C   . MET   A 1 64  ? -15.580 -13.080 -23.044 1.00 15.23 ? 70  MET   B C   1 
ATOM   542  O O   . MET   A 1 64  ? -16.132 -13.931 -22.339 1.00 16.91 ? 70  MET   B O   1 
ATOM   543  C CB  . MET   A 1 64  ? -15.986 -13.627 -25.396 1.00 16.40 ? 70  MET   B CB  1 
ATOM   544  C CG  . MET   A 1 64  ? -15.495 -13.729 -26.819 1.00 17.10 ? 70  MET   B CG  1 
ATOM   545  S SD  . MET   A 1 64  ? -14.784 -15.327 -27.329 1.00 20.77 ? 70  MET   B SD  1 
ATOM   546  C CE  . MET   A 1 64  ? -16.048 -16.517 -26.908 1.00 19.66 ? 70  MET   B CE  1 
ATOM   547  N N   . TYR   A 1 65  ? -15.521 -11.803 -22.738 1.00 15.69 ? 71  TYR   B N   1 
ATOM   548  C CA  . TYR   A 1 65  ? -16.138 -11.224 -21.518 1.00 15.50 ? 71  TYR   B CA  1 
ATOM   549  C C   . TYR   A 1 65  ? -16.749 -9.882  -21.890 1.00 16.38 ? 71  TYR   B C   1 
ATOM   550  O O   . TYR   A 1 65  ? -16.102 -9.045  -22.607 1.00 18.02 ? 71  TYR   B O   1 
ATOM   551  C CB  . TYR   A 1 65  ? -15.093 -11.049 -20.412 1.00 17.40 ? 71  TYR   B CB  1 
ATOM   552  C CG  . TYR   A 1 65  ? -15.607 -10.439 -19.136 1.00 17.00 ? 71  TYR   B CG  1 
ATOM   553  C CD1 . TYR   A 1 65  ? -16.324 -11.205 -18.243 1.00 16.90 ? 71  TYR   B CD1 1 
ATOM   554  C CD2 . TYR   A 1 65  ? -15.460 -9.080  -18.887 1.00 17.31 ? 71  TYR   B CD2 1 
ATOM   555  C CE1 . TYR   A 1 65  ? -16.822 -10.659 -17.064 1.00 17.17 ? 71  TYR   B CE1 1 
ATOM   556  C CE2 . TYR   A 1 65  ? -15.952 -8.516  -17.718 1.00 16.55 ? 71  TYR   B CE2 1 
ATOM   557  C CZ  . TYR   A 1 65  ? -16.676 -9.291  -16.837 1.00 16.82 ? 71  TYR   B CZ  1 
ATOM   558  O OH  . TYR   A 1 65  ? -17.159 -8.720  -15.696 1.00 18.99 ? 71  TYR   B OH  1 
ATOM   559  N N   . TRP   A 1 66  ? -17.965 -9.629  -21.424 1.00 14.53 ? 72  TRP   B N   1 
ATOM   560  C CA  . TRP   A 1 66  ? -18.547 -8.267  -21.500 1.00 14.99 ? 72  TRP   B CA  1 
ATOM   561  C C   . TRP   A 1 66  ? -19.450 -7.995  -20.284 1.00 14.69 ? 72  TRP   B C   1 
ATOM   562  O O   . TRP   A 1 66  ? -19.763 -8.945  -19.533 1.00 15.24 ? 72  TRP   B O   1 
ATOM   563  C CB  . TRP   A 1 66  ? -19.284 -8.065  -22.838 1.00 14.87 ? 72  TRP   B CB  1 
ATOM   564  C CG  . TRP   A 1 66  ? -20.472 -8.938  -23.107 1.00 14.12 ? 72  TRP   B CG  1 
ATOM   565  C CD1 . TRP   A 1 66  ? -21.808 -8.652  -22.883 1.00 13.86 ? 72  TRP   B CD1 1 
ATOM   566  C CD2 . TRP   A 1 66  ? -20.457 -10.270 -23.634 1.00 14.70 ? 72  TRP   B CD2 1 
ATOM   567  N NE1 . TRP   A 1 66  ? -22.594 -9.695  -23.310 1.00 14.13 ? 72  TRP   B NE1 1 
ATOM   568  C CE2 . TRP   A 1 66  ? -21.791 -10.722 -23.729 1.00 13.95 ? 72  TRP   B CE2 1 
ATOM   569  C CE3 . TRP   A 1 66  ? -19.424 -11.133 -24.019 1.00 17.48 ? 72  TRP   B CE3 1 
ATOM   570  C CZ2 . TRP   A 1 66  ? -22.127 -11.978 -24.220 1.00 15.55 ? 72  TRP   B CZ2 1 
ATOM   571  C CZ3 . TRP   A 1 66  ? -19.754 -12.377 -24.520 1.00 18.46 ? 72  TRP   B CZ3 1 
ATOM   572  C CH2 . TRP   A 1 66  ? -21.084 -12.783 -24.632 1.00 16.96 ? 72  TRP   B CH2 1 
ATOM   573  N N   . GLU   A 1 67  ? -19.868 -6.731  -20.111 1.00 14.33 ? 73  GLU   B N   1 
ATOM   574  C CA  . GLU   A 1 67  ? -20.676 -6.291  -18.941 1.00 14.08 ? 73  GLU   B CA  1 
ATOM   575  C C   . GLU   A 1 67  ? -21.898 -5.537  -19.439 1.00 14.29 ? 73  GLU   B C   1 
ATOM   576  O O   . GLU   A 1 67  ? -21.803 -4.801  -20.433 1.00 14.93 ? 73  GLU   B O   1 
ATOM   577  C CB  . GLU   A 1 67  ? -19.853 -5.419  -17.998 1.00 15.75 ? 73  GLU   B CB  1 
ATOM   578  C CG  . GLU   A 1 67  ? -18.805 -6.271  -17.278 1.00 19.08 ? 73  GLU   B CG  1 
ATOM   579  C CD  . GLU   A 1 67  ? -17.921 -5.525  -16.312 1.00 23.31 ? 73  GLU   B CD  1 
ATOM   580  O OE1 . GLU   A 1 67  ? -18.060 -4.266  -16.290 1.00 25.40 ? 73  GLU   B OE1 1 
ATOM   581  O OE2 . GLU   A 1 67  ? -17.093 -6.202  -15.572 1.00 20.34 ? 73  GLU   B OE2 1 
ATOM   582  N N   . VAL   A 1 68  ? -23.013 -5.735  -18.749 1.00 14.41 ? 74  VAL   B N   1 
ATOM   583  C CA  . VAL   A 1 68  ? -24.297 -5.087  -19.084 1.00 14.14 ? 74  VAL   B CA  1 
ATOM   584  C C   . VAL   A 1 68  ? -24.866 -4.408  -17.846 1.00 13.69 ? 74  VAL   B C   1 
ATOM   585  O O   . VAL   A 1 68  ? -24.956 -5.056  -16.803 1.00 14.35 ? 74  VAL   B O   1 
ATOM   586  C CB  . VAL   A 1 68  ? -25.306 -6.108  -19.641 1.00 14.26 ? 74  VAL   B CB  1 
ATOM   587  C CG1 . VAL   A 1 68  ? -26.552 -5.381  -20.131 1.00 15.55 ? 74  VAL   B CG1 1 
ATOM   588  C CG2 . VAL   A 1 68  ? -24.677 -6.966  -20.722 1.00 15.68 ? 74  VAL   B CG2 1 
ATOM   589  N N   . ASP   A 1 69  ? -25.325 -3.162  -17.998 1.00 14.25 ? 75  ASP   B N   1 
ATOM   590  C CA  . ASP   A 1 69  ? -26.001 -2.380  -16.933 1.00 15.37 ? 75  ASP   B CA  1 
ATOM   591  C C   . ASP   A 1 69  ? -27.488 -2.685  -16.982 1.00 13.41 ? 75  ASP   B C   1 
ATOM   592  O O   . ASP   A 1 69  ? -28.101 -2.580  -18.109 1.00 14.38 ? 75  ASP   B O   1 
ATOM   593  C CB  . ASP   A 1 69  ? -25.766 -0.876  -17.105 1.00 16.99 ? 75  ASP   B CB  1 
ATOM   594  C CG  . ASP   A 1 69  ? -26.136 -0.089  -15.856 1.00 19.15 ? 75  ASP   B CG  1 
ATOM   595  O OD1 . ASP   A 1 69  ? -27.304 -0.060  -15.503 1.00 18.17 ? 75  ASP   B OD1 1 
ATOM   596  O OD2 . ASP   A 1 69  ? -25.215 0.386   -15.176 1.00 25.70 ? 75  ASP   B OD2 1 
ATOM   597  N N   . VAL   A 1 70  ? -28.046 -3.123  -15.857 1.00 13.85 ? 76  VAL   B N   1 
ATOM   598  C CA  . VAL   A 1 70  ? -29.484 -3.462  -15.674 1.00 15.09 ? 76  VAL   B CA  1 
ATOM   599  C C   . VAL   A 1 70  ? -30.163 -2.535  -14.645 1.00 14.70 ? 76  VAL   B C   1 
ATOM   600  O O   . VAL   A 1 70  ? -31.257 -2.866  -14.186 1.00 15.18 ? 76  VAL   B O   1 
ATOM   601  C CB  . VAL   A 1 70  ? -29.637 -4.963  -15.327 1.00 15.03 ? 76  VAL   B CB  1 
ATOM   602  C CG1 . VAL   A 1 70  ? -29.033 -5.829  -16.458 1.00 14.62 ? 76  VAL   B CG1 1 
ATOM   603  C CG2 . VAL   A 1 70  ? -29.043 -5.356  -13.970 1.00 15.07 ? 76  VAL   B CG2 1 
ATOM   604  N N   . THR   A 1 71  ? -29.546 -1.402  -14.306 1.00 15.03 ? 77  THR   B N   1 
ATOM   605  C CA  . THR   A 1 71  ? -30.075 -0.465  -13.277 1.00 17.21 ? 77  THR   B CA  1 
ATOM   606  C C   . THR   A 1 71  ? -31.569 -0.187  -13.497 1.00 17.31 ? 77  THR   B C   1 
ATOM   607  O O   . THR   A 1 71  ? -31.990 0.170   -14.642 1.00 16.78 ? 77  THR   B O   1 
ATOM   608  C CB  . THR   A 1 71  ? -29.284 0.836   -13.256 1.00 18.38 ? 77  THR   B CB  1 
ATOM   609  O OG1 . THR   A 1 71  ? -27.909 0.530   -12.977 1.00 20.48 ? 77  THR   B OG1 1 
ATOM   610  C CG2 . THR   A 1 71  ? -29.870 1.747   -12.198 1.00 21.98 ? 77  THR   B CG2 1 
ATOM   611  N N   . GLN   A 1 72  ? -32.303 -0.311  -12.383 1.00 20.49 ? 78  GLN   B N   1 
ATOM   612  C CA  . GLN   A 1 72  ? -33.742 -0.004  -12.143 1.00 23.90 ? 78  GLN   B CA  1 
ATOM   613  C C   . GLN   A 1 72  ? -34.687 -0.894  -12.961 1.00 23.73 ? 78  GLN   B C   1 
ATOM   614  O O   . GLN   A 1 72  ? -35.909 -0.736  -12.827 1.00 26.38 ? 78  GLN   B O   1 
ATOM   615  C CB  . GLN   A 1 72  ? -34.019 1.495   -12.306 1.00 31.13 ? 78  GLN   B CB  1 
ATOM   616  C CG  . GLN   A 1 72  ? -33.786 2.070   -13.695 1.00 37.80 ? 78  GLN   B CG  1 
ATOM   617  C CD  . GLN   A 1 72  ? -34.605 3.299   -14.046 1.00 44.26 ? 78  GLN   B CD  1 
ATOM   618  O OE1 . GLN   A 1 72  ? -34.062 4.331   -14.441 1.00 46.36 ? 78  GLN   B OE1 1 
ATOM   619  N NE2 . GLN   A 1 72  ? -35.929 3.161   -14.026 1.00 46.20 ? 78  GLN   B NE2 1 
ATOM   620  N N   . LYS   A 1 73  ? -34.222 -1.867  -13.724 1.00 16.71 ? 79  LYS   B N   1 
ATOM   621  C CA  . LYS   A 1 73  ? -35.170 -2.714  -14.472 1.00 16.48 ? 79  LYS   B CA  1 
ATOM   622  C C   . LYS   A 1 73  ? -35.862 -3.751  -13.580 1.00 15.05 ? 79  LYS   B C   1 
ATOM   623  O O   . LYS   A 1 73  ? -35.249 -4.241  -12.577 1.00 17.73 ? 79  LYS   B O   1 
ATOM   624  C CB  . LYS   A 1 73  ? -34.426 -3.384  -15.630 1.00 16.43 ? 79  LYS   B CB  1 
ATOM   625  C CG  . LYS   A 1 73  ? -33.970 -2.409  -16.718 1.00 17.81 ? 79  LYS   B CG  1 
ATOM   626  C CD  . LYS   A 1 73  ? -33.488 -3.061  -18.006 1.00 17.98 ? 79  LYS   B CD  1 
ATOM   627  C CE  . LYS   A 1 73  ? -34.566 -3.805  -18.765 1.00 15.83 ? 79  LYS   B CE  1 
ATOM   628  N NZ  . LYS   A 1 73  ? -35.727 -2.923  -19.103 1.00 14.79 ? 79  LYS   B NZ  1 
ATOM   629  N N   . GLU   A 1 74  ? -37.117 -4.055  -13.901 1.00 13.52 ? 80  GLU   B N   1 
ATOM   630  C CA  . GLU   A 1 74  ? -37.918 -5.089  -13.220 1.00 13.24 ? 80  GLU   B CA  1 
ATOM   631  C C   . GLU   A 1 74  ? -37.788 -6.453  -13.901 1.00 12.44 ? 80  GLU   B C   1 
ATOM   632  O O   . GLU   A 1 74  ? -38.145 -7.466  -13.306 1.00 13.11 ? 80  GLU   B O   1 
ATOM   633  C CB  . GLU   A 1 74  ? -39.412 -4.716  -13.219 1.00 13.91 ? 80  GLU   B CB  1 
ATOM   634  C CG  . GLU   A 1 74  ? -39.678 -3.433  -12.476 1.00 16.43 ? 80  GLU   B CG  1 
ATOM   635  C CD  . GLU   A 1 74  ? -41.148 -3.008  -12.578 1.00 15.62 ? 80  GLU   B CD  1 
ATOM   636  O OE1 . GLU   A 1 74  ? -41.535 -2.146  -11.773 1.00 19.26 ? 80  GLU   B OE1 1 
ATOM   637  O OE2 . GLU   A 1 74  ? -41.867 -3.537  -13.460 1.00 18.75 ? 80  GLU   B OE2 1 
ATOM   638  N N   . ALA   A 1 75  ? -37.435 -6.462  -15.193 1.00 13.17 ? 81  ALA   B N   1 
ATOM   639  C CA  . ALA   A 1 75  ? -37.441 -7.718  -15.959 1.00 11.40 ? 81  ALA   B CA  1 
ATOM   640  C C   . ALA   A 1 75  ? -36.479 -7.600  -17.139 1.00 13.11 ? 81  ALA   B C   1 
ATOM   641  O O   . ALA   A 1 75  ? -36.409 -6.534  -17.775 1.00 12.44 ? 81  ALA   B O   1 
ATOM   642  C CB  . ALA   A 1 75  ? -38.829 -8.045  -16.462 1.00 12.98 ? 81  ALA   B CB  1 
ATOM   643  N N   . TRP   A 1 76  ? -35.750 -8.679  -17.392 1.00 12.52 ? 82  TRP   B N   1 
ATOM   644  C CA  . TRP   A 1 76  ? -34.755 -8.753  -18.499 1.00 11.84 ? 82  TRP   B CA  1 
ATOM   645  C C   . TRP   A 1 76  ? -34.237 -10.178 -18.592 1.00 11.64 ? 82  TRP   B C   1 
ATOM   646  O O   . TRP   A 1 76  ? -34.314 -10.924 -17.597 1.00 12.42 ? 82  TRP   B O   1 
ATOM   647  C CB  . TRP   A 1 76  ? -33.590 -7.764  -18.301 1.00 12.63 ? 82  TRP   B CB  1 
ATOM   648  C CG  . TRP   A 1 76  ? -32.909 -7.790  -16.973 1.00 12.10 ? 82  TRP   B CG  1 
ATOM   649  C CD1 . TRP   A 1 76  ? -33.175 -6.950  -15.946 1.00 13.76 ? 82  TRP   B CD1 1 
ATOM   650  C CD2 . TRP   A 1 76  ? -31.953 -8.740  -16.442 1.00 12.71 ? 82  TRP   B CD2 1 
ATOM   651  N NE1 . TRP   A 1 76  ? -32.423 -7.241  -14.850 1.00 14.49 ? 82  TRP   B NE1 1 
ATOM   652  C CE2 . TRP   A 1 76  ? -31.695 -8.379  -15.113 1.00 14.35 ? 82  TRP   B CE2 1 
ATOM   653  C CE3 . TRP   A 1 76  ? -31.322 -9.893  -16.966 1.00 14.23 ? 82  TRP   B CE3 1 
ATOM   654  C CZ2 . TRP   A 1 76  ? -30.767 -9.037  -14.317 1.00 13.93 ? 82  TRP   B CZ2 1 
ATOM   655  C CZ3 . TRP   A 1 76  ? -30.422 -10.571 -16.167 1.00 13.40 ? 82  TRP   B CZ3 1 
ATOM   656  C CH2 . TRP   A 1 76  ? -30.179 -10.158 -14.844 1.00 14.87 ? 82  TRP   B CH2 1 
ATOM   657  N N   . ASP   A 1 77  ? -33.706 -10.517 -19.767 1.00 11.74 ? 83  ASP   B N   1 
ATOM   658  C CA  . ASP   A 1 77  ? -32.938 -11.772 -19.977 1.00 12.28 ? 83  ASP   B CA  1 
ATOM   659  C C   . ASP   A 1 77  ? -31.583 -11.378 -20.572 1.00 12.57 ? 83  ASP   B C   1 
ATOM   660  O O   . ASP   A 1 77  ? -31.550 -10.459 -21.419 1.00 11.99 ? 83  ASP   B O   1 
ATOM   661  C CB  . ASP   A 1 77  ? -33.598 -12.751 -20.939 1.00 13.51 ? 83  ASP   B CB  1 
ATOM   662  C CG  . ASP   A 1 77  ? -35.090 -12.971 -20.812 1.00 15.75 ? 83  ASP   B CG  1 
ATOM   663  O OD1 . ASP   A 1 77  ? -35.540 -12.999 -19.714 1.00 18.76 ? 83  ASP   B OD1 1 
ATOM   664  O OD2 . ASP   A 1 77  ? -35.759 -13.134 -21.853 1.00 17.11 ? 83  ASP   B OD2 1 
ATOM   665  N N   . LEU   A 1 78  ? -30.503 -12.053 -20.175 1.00 11.68 ? 84  LEU   B N   1 
ATOM   666  C CA  . LEU   A 1 78  ? -29.136 -11.808 -20.688 1.00 10.85 ? 84  LEU   B CA  1 
ATOM   667  C C   . LEU   A 1 78  ? -28.414 -13.137 -20.878 1.00 11.15 ? 84  LEU   B C   1 
ATOM   668  O O   . LEU   A 1 78  ? -28.529 -14.048 -20.057 1.00 11.43 ? 84  LEU   B O   1 
ATOM   669  C CB  . LEU   A 1 78  ? -28.335 -10.951 -19.716 1.00 11.76 ? 84  LEU   B CB  1 
ATOM   670  C CG  . LEU   A 1 78  ? -28.698 -9.480  -19.627 1.00 13.21 ? 84  LEU   B CG  1 
ATOM   671  C CD1 . LEU   A 1 78  ? -27.882 -8.850  -18.498 1.00 14.22 ? 84  LEU   B CD1 1 
ATOM   672  C CD2 . LEU   A 1 78  ? -28.450 -8.800  -20.941 1.00 13.68 ? 84  LEU   B CD2 1 
ATOM   673  N N   . GLY   A 1 79  ? -27.559 -13.156 -21.898 1.00 10.68 ? 85  GLY   B N   1 
ATOM   674  C CA  . GLY   A 1 79  ? -26.610 -14.264 -22.039 1.00 12.58 ? 85  GLY   B CA  1 
ATOM   675  C C   . GLY   A 1 79  ? -26.079 -14.346 -23.452 1.00 11.47 ? 85  GLY   B C   1 
ATOM   676  O O   . GLY   A 1 79  ? -25.723 -13.333 -24.020 1.00 11.58 ? 85  GLY   B O   1 
ATOM   677  N N   A VAL   A 1 80  ? -25.970 -15.576 -23.963 0.25 11.69 ? 86  VAL   B N   1 
ATOM   678  N N   B VAL   A 1 80  ? -26.049 -15.555 -24.002 0.25 11.90 ? 86  VAL   B N   1 
ATOM   679  C CA  A VAL   A 1 80  ? -25.573 -15.867 -25.370 0.25 12.16 ? 86  VAL   B CA  1 
ATOM   680  C CA  B VAL   A 1 80  ? -25.514 -15.818 -25.364 0.25 12.42 ? 86  VAL   B CA  1 
ATOM   681  C C   A VAL   A 1 80  ? -26.571 -16.840 -25.993 0.25 12.21 ? 86  VAL   B C   1 
ATOM   682  C C   B VAL   A 1 80  ? -26.400 -16.904 -25.990 0.25 12.32 ? 86  VAL   B C   1 
ATOM   683  O O   A VAL   A 1 80  ? -27.303 -17.559 -25.282 0.25 12.37 ? 86  VAL   B O   1 
ATOM   684  O O   B VAL   A 1 80  ? -26.961 -17.718 -25.243 0.25 12.55 ? 86  VAL   B O   1 
ATOM   685  C CB  A VAL   A 1 80  ? -24.156 -16.460 -25.467 0.25 12.58 ? 86  VAL   B CB  1 
ATOM   686  C CB  B VAL   A 1 80  ? -24.025 -16.203 -25.240 0.25 13.06 ? 86  VAL   B CB  1 
ATOM   687  C CG1 A VAL   A 1 80  ? -23.103 -15.434 -25.115 0.25 12.52 ? 86  VAL   B CG1 1 
ATOM   688  C CG1 B VAL   A 1 80  ? -23.859 -17.590 -24.641 0.25 13.30 ? 86  VAL   B CG1 1 
ATOM   689  C CG2 A VAL   A 1 80  ? -24.007 -17.709 -24.613 0.25 12.70 ? 86  VAL   B CG2 1 
ATOM   690  C CG2 B VAL   A 1 80  ? -23.266 -16.091 -26.549 0.25 13.53 ? 86  VAL   B CG2 1 
ATOM   691  N N   . CYS   A 1 81  ? -26.574 -16.890 -27.316 1.00 11.94 ? 87  CYS   B N   1 
ATOM   692  C CA  . CYS   A 1 81  ? -27.381 -17.879 -28.020 1.00 12.89 ? 87  CYS   B CA  1 
ATOM   693  C C   . CYS   A 1 81  ? -26.713 -18.275 -29.330 1.00 13.10 ? 87  CYS   B C   1 
ATOM   694  O O   . CYS   A 1 81  ? -25.820 -17.560 -29.833 1.00 12.84 ? 87  CYS   B O   1 
ATOM   695  C CB  . CYS   A 1 81  ? -28.787 -17.361 -28.280 1.00 14.18 ? 87  CYS   B CB  1 
ATOM   696  S SG  . CYS   A 1 81  ? -28.860 -15.966 -29.426 1.00 14.75 ? 87  CYS   B SG  1 
ATOM   697  N N   A ARG   A 1 82  ? -27.132 -19.415 -29.853 0.25 13.31 ? 88  ARG   B N   1 
ATOM   698  N N   B ARG   A 1 82  ? -27.118 -19.424 -29.853 0.25 13.24 ? 88  ARG   B N   1 
ATOM   699  C CA  A ARG   A 1 82  ? -26.732 -19.849 -31.213 0.25 14.01 ? 88  ARG   B CA  1 
ATOM   700  C CA  B ARG   A 1 82  ? -26.679 -19.912 -31.188 0.25 13.89 ? 88  ARG   B CA  1 
ATOM   701  C C   A ARG   A 1 82  ? -27.153 -18.792 -32.228 0.25 13.82 ? 88  ARG   B C   1 
ATOM   702  C C   B ARG   A 1 82  ? -27.196 -18.948 -32.270 0.25 13.85 ? 88  ARG   B C   1 
ATOM   703  O O   A ARG   A 1 82  ? -28.200 -18.162 -32.070 0.25 13.22 ? 88  ARG   B O   1 
ATOM   704  O O   B ARG   A 1 82  ? -28.380 -18.532 -32.188 0.25 13.35 ? 88  ARG   B O   1 
ATOM   705  C CB  A ARG   A 1 82  ? -27.377 -21.182 -31.586 0.25 14.60 ? 88  ARG   B CB  1 
ATOM   706  C CB  B ARG   A 1 82  ? -27.180 -21.347 -31.399 0.25 14.29 ? 88  ARG   B CB  1 
ATOM   707  C CG  A ARG   A 1 82  ? -26.829 -22.323 -30.756 0.25 14.67 ? 88  ARG   B CG  1 
ATOM   708  C CG  B ARG   A 1 82  ? -26.505 -22.078 -32.549 0.25 14.32 ? 88  ARG   B CG  1 
ATOM   709  C CD  A ARG   A 1 82  ? -27.464 -23.631 -31.138 0.25 15.52 ? 88  ARG   B CD  1 
ATOM   710  C CD  B ARG   A 1 82  ? -27.070 -23.464 -32.755 0.25 14.00 ? 88  ARG   B CD  1 
ATOM   711  N NE  A ARG   A 1 82  ? -27.099 -24.674 -30.197 0.25 14.57 ? 88  ARG   B NE  1 
ATOM   712  N NE  B ARG   A 1 82  ? -26.899 -24.280 -31.571 0.25 14.18 ? 88  ARG   B NE  1 
ATOM   713  C CZ  A ARG   A 1 82  ? -27.912 -25.658 -29.852 0.25 14.76 ? 88  ARG   B CZ  1 
ATOM   714  C CZ  B ARG   A 1 82  ? -27.894 -24.882 -30.922 0.25 14.22 ? 88  ARG   B CZ  1 
ATOM   715  N NH1 A ARG   A 1 82  ? -29.143 -25.690 -30.331 0.25 14.23 ? 88  ARG   B NH1 1 
ATOM   716  N NH1 B ARG   A 1 82  ? -29.125 -24.802 -31.377 0.25 15.54 ? 88  ARG   B NH1 1 
ATOM   717  N NH2 A ARG   A 1 82  ? -27.502 -26.583 -29.004 0.25 15.76 ? 88  ARG   B NH2 1 
ATOM   718  N NH2 B ARG   A 1 82  ? -27.644 -25.584 -29.835 0.25 14.02 ? 88  ARG   B NH2 1 
ATOM   719  N N   . ASP   A 1 83  ? -26.360 -18.632 -33.275 1.00 14.84 ? 89  ASP   B N   1 
ATOM   720  C CA  . ASP   A 1 83  ? -26.761 -17.734 -34.392 1.00 16.58 ? 89  ASP   B CA  1 
ATOM   721  C C   . ASP   A 1 83  ? -28.040 -18.257 -35.045 1.00 17.93 ? 89  ASP   B C   1 
ATOM   722  O O   . ASP   A 1 83  ? -28.789 -17.426 -35.604 1.00 19.90 ? 89  ASP   B O   1 
ATOM   723  C CB  . ASP   A 1 83  ? -25.643 -17.635 -35.431 1.00 20.25 ? 89  ASP   B CB  1 
ATOM   724  C CG  . ASP   A 1 83  ? -25.240 -18.929 -36.109 1.00 25.01 ? 89  ASP   B CG  1 
ATOM   725  O OD1 . ASP   A 1 83  ? -25.720 -20.052 -35.720 1.00 28.82 ? 89  ASP   B OD1 1 
ATOM   726  O OD2 . ASP   A 1 83  ? -24.437 -18.817 -37.078 1.00 29.28 ? 89  ASP   B OD2 1 
ATOM   727  N N   . SER   A 1 84  ? -28.314 -19.570 -34.983 1.00 15.45 ? 90  SER   B N   1 
ATOM   728  C CA  . SER   A 1 84  ? -29.456 -20.240 -35.660 1.00 17.44 ? 90  SER   B CA  1 
ATOM   729  C C   . SER   A 1 84  ? -30.721 -20.339 -34.782 1.00 15.88 ? 90  SER   B C   1 
ATOM   730  O O   . SER   A 1 84  ? -31.657 -21.044 -35.167 1.00 16.42 ? 90  SER   B O   1 
ATOM   731  C CB  . SER   A 1 84  ? -29.024 -21.606 -36.178 1.00 18.15 ? 90  SER   B CB  1 
ATOM   732  O OG  . SER   A 1 84  ? -28.536 -22.400 -35.147 1.00 21.56 ? 90  SER   B OG  1 
ATOM   733  N N   . VAL   A 1 85  ? -30.803 -19.642 -33.633 1.00 14.57 ? 91  VAL   B N   1 
ATOM   734  C CA  . VAL   A 1 85  ? -32.039 -19.695 -32.834 1.00 15.07 ? 91  VAL   B CA  1 
ATOM   735  C C   . VAL   A 1 85  ? -33.247 -19.224 -33.662 1.00 14.47 ? 91  VAL   B C   1 
ATOM   736  O O   . VAL   A 1 85  ? -33.121 -18.315 -34.496 1.00 15.18 ? 91  VAL   B O   1 
ATOM   737  C CB  . VAL   A 1 85  ? -31.963 -18.965 -31.470 1.00 13.70 ? 91  VAL   B CB  1 
ATOM   738  C CG1 . VAL   A 1 85  ? -30.952 -19.649 -30.569 1.00 13.92 ? 91  VAL   B CG1 1 
ATOM   739  C CG2 . VAL   A 1 85  ? -31.745 -17.476 -31.564 1.00 14.37 ? 91  VAL   B CG2 1 
ATOM   740  N N   . GLN   A 1 86  ? -34.379 -19.825 -33.339 1.00 16.77 ? 92  GLN   B N   1 
ATOM   741  C CA  . GLN   A 1 86  ? -35.738 -19.433 -33.830 1.00 18.12 ? 92  GLN   B CA  1 
ATOM   742  C C   . GLN   A 1 86  ? -35.963 -17.952 -33.510 1.00 15.96 ? 92  GLN   B C   1 
ATOM   743  O O   . GLN   A 1 86  ? -35.682 -17.528 -32.372 1.00 16.24 ? 92  GLN   B O   1 
ATOM   744  C CB  . GLN   A 1 86  ? -36.764 -20.346 -33.150 1.00 20.32 ? 92  GLN   B CB  1 
ATOM   745  C CG  . GLN   A 1 86  ? -38.241 -20.026 -33.382 1.00 23.49 ? 92  GLN   B CG  1 
ATOM   746  C CD  . GLN   A 1 86  ? -39.135 -20.880 -32.496 1.00 27.68 ? 92  GLN   B CD  1 
ATOM   747  O OE1 . GLN   A 1 86  ? -38.708 -21.872 -31.865 1.00 28.73 ? 92  GLN   B OE1 1 
ATOM   748  N NE2 . GLN   A 1 86  ? -40.418 -20.515 -32.427 1.00 29.23 ? 92  GLN   B NE2 1 
ATOM   749  N N   . ARG   A 1 87  ? -36.504 -17.206 -34.466 1.00 15.68 ? 93  ARG   B N   1 
ATOM   750  C CA  . ARG   A 1 87  ? -36.819 -15.768 -34.307 1.00 14.20 ? 93  ARG   B CA  1 
ATOM   751  C C   . ARG   A 1 87  ? -38.327 -15.543 -34.183 1.00 16.56 ? 93  ARG   B C   1 
ATOM   752  O O   . ARG   A 1 87  ? -38.675 -14.516 -33.577 1.00 15.83 ? 93  ARG   B O   1 
ATOM   753  C CB  . ARG   A 1 87  ? -36.268 -14.938 -35.463 1.00 14.96 ? 93  ARG   B CB  1 
ATOM   754  C CG  . ARG   A 1 87  ? -34.807 -15.193 -35.783 1.00 15.29 ? 93  ARG   B CG  1 
ATOM   755  C CD  . ARG   A 1 87  ? -33.880 -14.975 -34.586 1.00 16.39 ? 93  ARG   B CD  1 
ATOM   756  N NE  . ARG   A 1 87  ? -32.502 -15.389 -34.932 1.00 17.51 ? 93  ARG   B NE  1 
ATOM   757  C CZ  . ARG   A 1 87  ? -31.562 -14.649 -35.510 1.00 16.88 ? 93  ARG   B CZ  1 
ATOM   758  N NH1 . ARG   A 1 87  ? -31.803 -13.412 -35.883 1.00 18.51 ? 93  ARG   B NH1 1 
ATOM   759  N NH2 . ARG   A 1 87  ? -30.397 -15.187 -35.804 1.00 19.03 ? 93  ARG   B NH2 1 
ATOM   760  N N   . LYS   A 1 88  ? -39.185 -16.392 -34.782 1.00 15.54 ? 94  LYS   B N   1 
ATOM   761  C CA  . LYS   A 1 88  ? -40.635 -16.117 -34.926 1.00 16.40 ? 94  LYS   B CA  1 
ATOM   762  C C   . LYS   A 1 88  ? -41.414 -17.038 -34.022 1.00 18.42 ? 94  LYS   B C   1 
ATOM   763  O O   . LYS   A 1 88  ? -41.008 -18.217 -33.922 1.00 21.75 ? 94  LYS   B O   1 
ATOM   764  C CB  . LYS   A 1 88  ? -41.075 -16.302 -36.382 1.00 18.04 ? 94  LYS   B CB  1 
ATOM   765  C CG  . LYS   A 1 88  ? -40.233 -15.557 -37.401 1.00 18.07 ? 94  LYS   B CG  1 
ATOM   766  C CD  . LYS   A 1 88  ? -40.154 -14.042 -37.185 1.00 18.33 ? 94  LYS   B CD  1 
ATOM   767  C CE  . LYS   A 1 88  ? -39.384 -13.377 -38.289 1.00 17.60 ? 94  LYS   B CE  1 
ATOM   768  N NZ  . LYS   A 1 88  ? -39.265 -11.914 -38.086 1.00 18.79 ? 94  LYS   B NZ  1 
ATOM   769  N N   . GLY   A 1 89  ? -42.495 -16.526 -33.456 1.00 18.74 ? 95  GLY   B N   1 
ATOM   770  C CA  . GLY   A 1 89  ? -43.392 -17.328 -32.621 1.00 19.62 ? 95  GLY   B CA  1 
ATOM   771  C C   . GLY   A 1 89  ? -42.916 -17.471 -31.191 1.00 21.21 ? 95  GLY   B C   1 
ATOM   772  O O   . GLY   A 1 89  ? -41.964 -16.730 -30.786 1.00 18.83 ? 95  GLY   B O   1 
ATOM   773  N N   . GLN   A 1 90  ? -43.568 -18.359 -30.444 1.00 21.03 ? 96  GLN   B N   1 
ATOM   774  C CA  . GLN   A 1 90  ? -43.280 -18.592 -29.017 1.00 21.80 ? 96  GLN   B CA  1 
ATOM   775  C C   . GLN   A 1 90  ? -42.205 -19.658 -28.871 1.00 19.97 ? 96  GLN   B C   1 
ATOM   776  O O   . GLN   A 1 90  ? -42.117 -20.604 -29.704 1.00 20.28 ? 96  GLN   B O   1 
ATOM   777  C CB  . GLN   A 1 90  ? -44.552 -19.010 -28.267 1.00 26.94 ? 96  GLN   B CB  1 
ATOM   778  C CG  . GLN   A 1 90  ? -45.606 -17.925 -28.286 1.00 31.98 ? 96  GLN   B CG  1 
ATOM   779  C CD  . GLN   A 1 90  ? -46.945 -18.497 -27.918 1.00 43.49 ? 96  GLN   B CD  1 
ATOM   780  O OE1 . GLN   A 1 90  ? -47.235 -18.711 -26.742 1.00 53.11 ? 96  GLN   B OE1 1 
ATOM   781  N NE2 . GLN   A 1 90  ? -47.741 -18.788 -28.934 1.00 46.21 ? 96  GLN   B NE2 1 
ATOM   782  N N   . PHE   A 1 91  ? -41.339 -19.474 -27.879 1.00 17.83 ? 97  PHE   B N   1 
ATOM   783  C CA  . PHE   A 1 91  ? -40.304 -20.464 -27.502 1.00 18.55 ? 97  PHE   B CA  1 
ATOM   784  C C   . PHE   A 1 91  ? -39.828 -20.196 -26.080 1.00 18.00 ? 97  PHE   B C   1 
ATOM   785  O O   . PHE   A 1 91  ? -39.975 -19.074 -25.552 1.00 19.01 ? 97  PHE   B O   1 
ATOM   786  C CB  . PHE   A 1 91  ? -39.137 -20.387 -28.481 1.00 19.24 ? 97  PHE   B CB  1 
ATOM   787  C CG  . PHE   A 1 91  ? -38.510 -19.024 -28.594 1.00 18.33 ? 97  PHE   B CG  1 
ATOM   788  C CD1 . PHE   A 1 91  ? -37.514 -18.635 -27.712 1.00 19.42 ? 97  PHE   B CD1 1 
ATOM   789  C CD2 . PHE   A 1 91  ? -38.865 -18.158 -29.619 1.00 18.57 ? 97  PHE   B CD2 1 
ATOM   790  C CE1 . PHE   A 1 91  ? -36.901 -17.404 -27.853 1.00 16.77 ? 97  PHE   B CE1 1 
ATOM   791  C CE2 . PHE   A 1 91  ? -38.253 -16.931 -29.747 1.00 17.26 ? 97  PHE   B CE2 1 
ATOM   792  C CZ  . PHE   A 1 91  ? -37.265 -16.567 -28.874 1.00 16.68 ? 97  PHE   B CZ  1 
ATOM   793  N N   A SER   A 1 92  ? -39.275 -21.216 -25.426 0.25 18.16 ? 98  SER   B N   1 
ATOM   794  N N   B SER   A 1 92  ? -39.230 -21.225 -25.477 0.25 17.43 ? 98  SER   B N   1 
ATOM   795  C CA  A SER   A 1 92  ? -38.648 -21.055 -24.092 0.25 18.43 ? 98  SER   B CA  1 
ATOM   796  C CA  B SER   A 1 92  ? -38.608 -21.172 -24.133 0.25 17.19 ? 98  SER   B CA  1 
ATOM   797  C C   A SER   A 1 92  ? -37.143 -20.847 -24.254 0.25 17.41 ? 98  SER   B C   1 
ATOM   798  C C   B SER   A 1 92  ? -37.109 -20.884 -24.253 0.25 16.66 ? 98  SER   B C   1 
ATOM   799  O O   A SER   A 1 92  ? -36.552 -21.342 -25.247 0.25 17.54 ? 98  SER   B O   1 
ATOM   800  O O   B SER   A 1 92  ? -36.475 -21.369 -25.226 0.25 16.51 ? 98  SER   B O   1 
ATOM   801  C CB  A SER   A 1 92  ? -38.930 -22.219 -23.202 0.25 20.28 ? 98  SER   B CB  1 
ATOM   802  C CB  B SER   A 1 92  ? -38.861 -22.449 -23.385 0.25 17.99 ? 98  SER   B CB  1 
ATOM   803  O OG  A SER   A 1 92  ? -38.782 -23.418 -23.929 0.25 21.85 ? 98  SER   B OG  1 
ATOM   804  O OG  B SER   A 1 92  ? -40.245 -22.553 -23.072 0.25 18.55 ? 98  SER   B OG  1 
ATOM   805  N N   . LEU   A 1 93  ? -36.559 -20.123 -23.304 1.00 16.04 ? 99  LEU   B N   1 
ATOM   806  C CA  . LEU   A 1 93  ? -35.093 -19.953 -23.219 1.00 17.25 ? 99  LEU   B CA  1 
ATOM   807  C C   . LEU   A 1 93  ? -34.501 -21.178 -22.535 1.00 18.27 ? 99  LEU   B C   1 
ATOM   808  O O   . LEU   A 1 93  ? -34.644 -21.352 -21.330 1.00 19.42 ? 99  LEU   B O   1 
ATOM   809  C CB  . LEU   A 1 93  ? -34.724 -18.688 -22.451 1.00 17.33 ? 99  LEU   B CB  1 
ATOM   810  C CG  . LEU   A 1 93  ? -35.192 -17.387 -23.073 1.00 17.70 ? 99  LEU   B CG  1 
ATOM   811  C CD1 . LEU   A 1 93  ? -34.807 -16.222 -22.168 1.00 19.80 ? 99  LEU   B CD1 1 
ATOM   812  C CD2 . LEU   A 1 93  ? -34.628 -17.177 -24.471 1.00 19.04 ? 99  LEU   B CD2 1 
ATOM   813  N N   . SER   A 1 94  ? -33.801 -22.034 -23.281 1.00 17.14 ? 100 SER   B N   1 
ATOM   814  C CA  . SER   A 1 94  ? -33.220 -23.283 -22.753 1.00 17.00 ? 100 SER   B CA  1 
ATOM   815  C C   . SER   A 1 94  ? -32.022 -23.634 -23.613 1.00 14.80 ? 100 SER   B C   1 
ATOM   816  O O   . SER   A 1 94  ? -31.985 -23.290 -24.800 1.00 14.56 ? 100 SER   B O   1 
ATOM   817  C CB  . SER   A 1 94  ? -34.176 -24.445 -22.770 1.00 18.38 ? 100 SER   B CB  1 
ATOM   818  O OG  . SER   A 1 94  ? -34.474 -24.795 -24.114 1.00 20.69 ? 100 SER   B OG  1 
ATOM   819  N N   . PRO   A 1 95  ? -31.052 -24.365 -23.073 1.00 14.33 ? 101 PRO   B N   1 
ATOM   820  C CA  . PRO   A 1 95  ? -29.942 -24.839 -23.889 1.00 15.33 ? 101 PRO   B CA  1 
ATOM   821  C C   . PRO   A 1 95  ? -30.408 -25.734 -25.048 1.00 15.36 ? 101 PRO   B C   1 
ATOM   822  O O   . PRO   A 1 95  ? -29.826 -25.643 -26.170 1.00 15.36 ? 101 PRO   B O   1 
ATOM   823  C CB  . PRO   A 1 95  ? -29.041 -25.592 -22.889 1.00 15.97 ? 101 PRO   B CB  1 
ATOM   824  C CG  . PRO   A 1 95  ? -29.333 -24.875 -21.582 1.00 16.44 ? 101 PRO   B CG  1 
ATOM   825  C CD  . PRO   A 1 95  ? -30.831 -24.656 -21.648 1.00 15.71 ? 101 PRO   B CD  1 
ATOM   826  N N   . GLU   A 1 96  ? -31.502 -26.472 -24.846 1.00 17.14 ? 102 GLU   B N   1 
ATOM   827  C CA  . GLU   A 1 96  ? -32.054 -27.337 -25.942 1.00 21.29 ? 102 GLU   B CA  1 
ATOM   828  C C   . GLU   A 1 96  ? -32.476 -26.458 -27.122 1.00 20.21 ? 102 GLU   B C   1 
ATOM   829  O O   . GLU   A 1 96  ? -32.361 -26.891 -28.304 1.00 21.01 ? 102 GLU   B O   1 
ATOM   830  C CB  . GLU   A 1 96  ? -33.202 -28.207 -25.447 1.00 26.89 ? 102 GLU   B CB  1 
ATOM   831  C CG  . GLU   A 1 96  ? -32.798 -28.998 -24.219 1.00 34.97 ? 102 GLU   B CG  1 
ATOM   832  C CD  . GLU   A 1 96  ? -33.274 -28.394 -22.907 1.00 41.20 ? 102 GLU   B CD  1 
ATOM   833  O OE1 . GLU   A 1 96  ? -32.484 -27.630 -22.245 1.00 27.77 ? 102 GLU   B OE1 1 
ATOM   834  O OE2 . GLU   A 1 96  ? -34.449 -28.716 -22.542 1.00 50.69 ? 102 GLU   B OE2 1 
ATOM   835  N N   . ASN   A 1 97  ? -32.975 -25.240 -26.855 1.00 17.90 ? 103 ASN   B N   1 
ATOM   836  C CA  . ASN   A 1 97  ? -33.367 -24.287 -27.925 1.00 16.93 ? 103 ASN   B CA  1 
ATOM   837  C C   . ASN   A 1 97  ? -32.211 -23.366 -28.355 1.00 16.21 ? 103 ASN   B C   1 
ATOM   838  O O   . ASN   A 1 97  ? -32.452 -22.499 -29.202 1.00 17.39 ? 103 ASN   B O   1 
ATOM   839  C CB  . ASN   A 1 97  ? -34.601 -23.468 -27.504 1.00 18.80 ? 103 ASN   B CB  1 
ATOM   840  C CG  . ASN   A 1 97  ? -35.877 -24.274 -27.475 1.00 21.45 ? 103 ASN   B CG  1 
ATOM   841  O OD1 . ASN   A 1 97  ? -35.968 -25.345 -28.103 1.00 23.42 ? 103 ASN   B OD1 1 
ATOM   842  N ND2 . ASN   A 1 97  ? -36.851 -23.820 -26.695 1.00 22.41 ? 103 ASN   B ND2 1 
ATOM   843  N N   . GLY   A 1 98  ? -30.983 -23.537 -27.838 1.00 14.56 ? 104 GLY   B N   1 
ATOM   844  C CA  . GLY   A 1 98  ? -29.816 -22.746 -28.258 1.00 14.23 ? 104 GLY   B CA  1 
ATOM   845  C C   . GLY   A 1 98  ? -29.589 -21.468 -27.465 1.00 14.09 ? 104 GLY   B C   1 
ATOM   846  O O   . GLY   A 1 98  ? -28.922 -20.591 -27.969 1.00 13.70 ? 104 GLY   B O   1 
ATOM   847  N N   . PHE   A 1 99  ? -30.029 -21.418 -26.189 1.00 14.48 ? 105 PHE   B N   1 
ATOM   848  C CA  . PHE   A 1 99  ? -29.853 -20.223 -25.320 1.00 13.95 ? 105 PHE   B CA  1 
ATOM   849  C C   . PHE   A 1 99  ? -29.177 -20.591 -23.996 1.00 12.76 ? 105 PHE   B C   1 
ATOM   850  O O   . PHE   A 1 99  ? -29.607 -21.609 -23.363 1.00 14.03 ? 105 PHE   B O   1 
ATOM   851  C CB  . PHE   A 1 99  ? -31.183 -19.549 -24.953 1.00 13.98 ? 105 PHE   B CB  1 
ATOM   852  C CG  . PHE   A 1 99  ? -31.979 -19.070 -26.145 1.00 13.14 ? 105 PHE   B CG  1 
ATOM   853  C CD1 . PHE   A 1 99  ? -32.867 -19.922 -26.772 1.00 13.16 ? 105 PHE   B CD1 1 
ATOM   854  C CD2 . PHE   A 1 99  ? -31.880 -17.759 -26.598 1.00 13.61 ? 105 PHE   B CD2 1 
ATOM   855  C CE1 . PHE   A 1 99  ? -33.576 -19.498 -27.885 1.00 14.09 ? 105 PHE   B CE1 1 
ATOM   856  C CE2 . PHE   A 1 99  ? -32.624 -17.317 -27.673 1.00 14.82 ? 105 PHE   B CE2 1 
ATOM   857  C CZ  . PHE   A 1 99  ? -33.512 -18.184 -28.275 1.00 13.35 ? 105 PHE   B CZ  1 
ATOM   858  N N   . TRP   A 1 100 ? -28.213 -19.772 -23.558 1.00 11.92 ? 106 TRP   B N   1 
ATOM   859  C CA  . TRP   A 1 100 ? -27.524 -19.881 -22.239 1.00 11.85 ? 106 TRP   B CA  1 
ATOM   860  C C   . TRP   A 1 100 ? -27.685 -18.532 -21.549 1.00 11.41 ? 106 TRP   B C   1 
ATOM   861  O O   . TRP   A 1 100 ? -26.952 -17.570 -21.905 1.00 12.13 ? 106 TRP   B O   1 
ATOM   862  C CB  . TRP   A 1 100 ? -26.063 -20.321 -22.422 1.00 11.48 ? 106 TRP   B CB  1 
ATOM   863  C CG  . TRP   A 1 100 ? -25.986 -21.695 -23.033 1.00 11.83 ? 106 TRP   B CG  1 
ATOM   864  C CD1 . TRP   A 1 100 ? -25.913 -22.904 -22.395 1.00 13.54 ? 106 TRP   B CD1 1 
ATOM   865  C CD2 . TRP   A 1 100 ? -25.984 -21.997 -24.444 1.00 13.07 ? 106 TRP   B CD2 1 
ATOM   866  N NE1 . TRP   A 1 100 ? -25.926 -23.938 -23.312 1.00 13.87 ? 106 TRP   B NE1 1 
ATOM   867  C CE2 . TRP   A 1 100 ? -25.958 -23.396 -24.564 1.00 13.95 ? 106 TRP   B CE2 1 
ATOM   868  C CE3 . TRP   A 1 100 ? -26.034 -21.214 -25.598 1.00 13.30 ? 106 TRP   B CE3 1 
ATOM   869  C CZ2 . TRP   A 1 100 ? -25.988 -24.032 -25.804 1.00 14.63 ? 106 TRP   B CZ2 1 
ATOM   870  C CZ3 . TRP   A 1 100 ? -26.078 -21.849 -26.816 1.00 14.65 ? 106 TRP   B CZ3 1 
ATOM   871  C CH2 . TRP   A 1 100 ? -26.064 -23.231 -26.908 1.00 14.47 ? 106 TRP   B CH2 1 
ATOM   872  N N   . THR   A 1 101 ? -28.722 -18.445 -20.697 1.00 11.80 ? 107 THR   B N   1 
ATOM   873  C CA  . THR   A 1 101 ? -29.234 -17.129 -20.231 1.00 11.76 ? 107 THR   B CA  1 
ATOM   874  C C   . THR   A 1 101 ? -29.544 -17.198 -18.729 1.00 11.42 ? 107 THR   B C   1 
ATOM   875  O O   . THR   A 1 101 ? -29.824 -18.290 -18.214 1.00 11.71 ? 107 THR   B O   1 
ATOM   876  C CB  . THR   A 1 101 ? -30.493 -16.696 -20.985 1.00 12.18 ? 107 THR   B CB  1 
ATOM   877  O OG1 . THR   A 1 101 ? -31.550 -17.617 -20.757 1.00 13.38 ? 107 THR   B OG1 1 
ATOM   878  C CG2 . THR   A 1 101 ? -30.197 -16.508 -22.452 1.00 12.11 ? 107 THR   B CG2 1 
ATOM   879  N N   . ILE   A 1 102 ? -29.597 -16.013 -18.127 1.00 11.67 ? 108 ILE   B N   1 
ATOM   880  C CA  . ILE   A 1 102 ? -30.249 -15.809 -16.796 1.00 11.81 ? 108 ILE   B CA  1 
ATOM   881  C C   . ILE   A 1 102 ? -31.249 -14.663 -16.961 1.00 11.74 ? 108 ILE   B C   1 
ATOM   882  O O   . ILE   A 1 102 ? -31.211 -13.913 -17.982 1.00 11.79 ? 108 ILE   B O   1 
ATOM   883  C CB  . ILE   A 1 102 ? -29.235 -15.516 -15.676 1.00 12.85 ? 108 ILE   B CB  1 
ATOM   884  C CG1 . ILE   A 1 102 ? -28.575 -14.140 -15.820 1.00 13.45 ? 108 ILE   B CG1 1 
ATOM   885  C CG2 . ILE   A 1 102 ? -28.224 -16.635 -15.567 1.00 13.38 ? 108 ILE   B CG2 1 
ATOM   886  C CD1 . ILE   A 1 102 ? -27.738 -13.681 -14.640 1.00 13.27 ? 108 ILE   B CD1 1 
ATOM   887  N N   . TRP   A 1 103 ? -32.120 -14.543 -15.978 1.00 12.44 ? 109 TRP   B N   1 
ATOM   888  C CA  . TRP   A 1 103 ? -33.133 -13.469 -16.027 1.00 12.71 ? 109 TRP   B CA  1 
ATOM   889  C C   . TRP   A 1 103 ? -33.592 -13.029 -14.668 1.00 12.96 ? 109 TRP   B C   1 
ATOM   890  O O   . TRP   A 1 103 ? -33.393 -13.718 -13.661 1.00 13.21 ? 109 TRP   B O   1 
ATOM   891  C CB  . TRP   A 1 103 ? -34.309 -13.870 -16.870 1.00 15.26 ? 109 TRP   B CB  1 
ATOM   892  C CG  . TRP   A 1 103 ? -35.145 -14.990 -16.368 1.00 18.27 ? 109 TRP   B CG  1 
ATOM   893  C CD1 . TRP   A 1 103 ? -36.004 -14.991 -15.302 1.00 18.29 ? 109 TRP   B CD1 1 
ATOM   894  C CD2 . TRP   A 1 103 ? -35.259 -16.261 -16.996 1.00 20.59 ? 109 TRP   B CD2 1 
ATOM   895  N NE1 . TRP   A 1 103 ? -36.654 -16.182 -15.231 1.00 21.85 ? 109 TRP   B NE1 1 
ATOM   896  C CE2 . TRP   A 1 103 ? -36.229 -16.978 -16.267 1.00 21.10 ? 109 TRP   B CE2 1 
ATOM   897  C CE3 . TRP   A 1 103 ? -34.682 -16.832 -18.135 1.00 21.06 ? 109 TRP   B CE3 1 
ATOM   898  C CZ2 . TRP   A 1 103 ? -36.605 -18.263 -16.623 1.00 23.36 ? 109 TRP   B CZ2 1 
ATOM   899  C CZ3 . TRP   A 1 103 ? -35.074 -18.093 -18.492 1.00 22.23 ? 109 TRP   B CZ3 1 
ATOM   900  C CH2 . TRP   A 1 103 ? -35.998 -18.799 -17.739 1.00 21.89 ? 109 TRP   B CH2 1 
ATOM   901  N N   . LEU   A 1 104 ? -34.186 -11.820 -14.661 1.00 13.39 ? 110 LEU   B N   1 
ATOM   902  C CA  . LEU   A 1 104 ? -34.981 -11.273 -13.553 1.00 13.71 ? 110 LEU   B CA  1 
ATOM   903  C C   . LEU   A 1 104 ? -36.445 -11.234 -13.974 1.00 12.95 ? 110 LEU   B C   1 
ATOM   904  O O   . LEU   A 1 104 ? -36.746 -10.776 -15.075 1.00 13.00 ? 110 LEU   B O   1 
ATOM   905  C CB  . LEU   A 1 104 ? -34.516 -9.853  -13.240 1.00 14.18 ? 110 LEU   B CB  1 
ATOM   906  C CG  . LEU   A 1 104 ? -35.324 -9.067  -12.214 1.00 13.98 ? 110 LEU   B CG  1 
ATOM   907  C CD1 . LEU   A 1 104 ? -35.332 -9.725  -10.848 1.00 14.88 ? 110 LEU   B CD1 1 
ATOM   908  C CD2 . LEU   A 1 104 ? -34.865 -7.644  -12.108 1.00 15.50 ? 110 LEU   B CD2 1 
ATOM   909  N N   . TRP   A 1 105 ? -37.322 -11.665 -13.088 1.00 14.43 ? 111 TRP   B N   1 
ATOM   910  C CA  . TRP   A 1 105 ? -38.774 -11.652 -13.332 1.00 15.05 ? 111 TRP   B CA  1 
ATOM   911  C C   . TRP   A 1 105 ? -39.478 -11.682 -11.989 1.00 18.20 ? 111 TRP   B C   1 
ATOM   912  O O   . TRP   A 1 105 ? -39.195 -12.614 -11.206 1.00 16.54 ? 111 TRP   B O   1 
ATOM   913  C CB  . TRP   A 1 105 ? -39.123 -12.889 -14.152 1.00 19.85 ? 111 TRP   B CB  1 
ATOM   914  C CG  . TRP   A 1 105 ? -40.569 -13.141 -14.285 1.00 23.09 ? 111 TRP   B CG  1 
ATOM   915  C CD1 . TRP   A 1 105 ? -41.322 -14.138 -13.712 1.00 23.77 ? 111 TRP   B CD1 1 
ATOM   916  C CD2 . TRP   A 1 105 ? -41.446 -12.345 -15.073 1.00 23.80 ? 111 TRP   B CD2 1 
ATOM   917  N NE1 . TRP   A 1 105 ? -42.618 -14.007 -14.109 1.00 24.12 ? 111 TRP   B NE1 1 
ATOM   918  C CE2 . TRP   A 1 105 ? -42.727 -12.921 -14.939 1.00 22.29 ? 111 TRP   B CE2 1 
ATOM   919  C CE3 . TRP   A 1 105 ? -41.274 -11.207 -15.853 1.00 22.75 ? 111 TRP   B CE3 1 
ATOM   920  C CZ2 . TRP   A 1 105 ? -43.837 -12.402 -15.587 1.00 26.63 ? 111 TRP   B CZ2 1 
ATOM   921  C CZ3 . TRP   A 1 105 ? -42.380 -10.657 -16.451 1.00 26.77 ? 111 TRP   B CZ3 1 
ATOM   922  C CH2 . TRP   A 1 105 ? -43.639 -11.255 -16.325 1.00 26.76 ? 111 TRP   B CH2 1 
ATOM   923  N N   . GLN   A 1 106 ? -40.356 -10.698 -11.725 1.00 16.55 ? 112 GLN   B N   1 
ATOM   924  C CA  . GLN   A 1 106 ? -41.186 -10.732 -10.498 1.00 17.48 ? 112 GLN   B CA  1 
ATOM   925  C C   . GLN   A 1 106 ? -40.310 -10.938 -9.281  1.00 18.44 ? 112 GLN   B C   1 
ATOM   926  O O   . GLN   A 1 106 ? -40.657 -11.802 -8.407  1.00 20.02 ? 112 GLN   B O   1 
ATOM   927  C CB  . GLN   A 1 106 ? -42.302 -11.779 -10.655 1.00 20.15 ? 112 GLN   B CB  1 
ATOM   928  C CG  . GLN   A 1 106 ? -43.264 -11.444 -11.790 1.00 21.42 ? 112 GLN   B CG  1 
ATOM   929  C CD  . GLN   A 1 106 ? -44.553 -12.223 -11.816 1.00 24.18 ? 112 GLN   B CD  1 
ATOM   930  O OE1 . GLN   A 1 106 ? -45.515 -11.876 -12.536 1.00 27.00 ? 112 GLN   B OE1 1 
ATOM   931  N NE2 . GLN   A 1 106 ? -44.558 -13.310 -11.074 1.00 21.14 ? 112 GLN   B NE2 1 
ATOM   932  N N   . ASP   A 1 107 ? -39.266 -10.145 -9.153  1.00 18.48 ? 113 ASP   B N   1 
ATOM   933  C CA  . ASP   A 1 107 ? -38.454 -10.078 -7.923  1.00 23.81 ? 113 ASP   B CA  1 
ATOM   934  C C   . ASP   A 1 107 ? -37.667 -11.380 -7.669  1.00 23.52 ? 113 ASP   B C   1 
ATOM   935  O O   . ASP   A 1 107 ? -37.073 -11.479 -6.566  1.00 29.78 ? 113 ASP   B O   1 
ATOM   936  C CB  . ASP   A 1 107 ? -39.407 -9.866  -6.750  1.00 27.67 ? 113 ASP   B CB  1 
ATOM   937  C CG  . ASP   A 1 107 ? -38.832 -9.129  -5.579  1.00 35.51 ? 113 ASP   B CG  1 
ATOM   938  O OD1 . ASP   A 1 107 ? -37.852 -8.362  -5.773  1.00 38.87 ? 113 ASP   B OD1 1 
ATOM   939  O OD2 . ASP   A 1 107 ? -39.437 -9.282  -4.477  1.00 46.11 ? 113 ASP   B OD2 1 
ATOM   940  N N   . SER   A 1 108 ? -37.579 -12.297 -8.632  1.00 19.55 ? 114 SER   B N   1 
ATOM   941  C CA  . SER   A 1 108 ? -36.665 -13.467 -8.500  1.00 21.15 ? 114 SER   B CA  1 
ATOM   942  C C   . SER   A 1 108 ? -35.710 -13.563 -9.700  1.00 18.29 ? 114 SER   B C   1 
ATOM   943  O O   . SER   A 1 108 ? -36.099 -13.245 -10.866 1.00 17.20 ? 114 SER   B O   1 
ATOM   944  C CB  . SER   A 1 108 ? -37.416 -14.727 -8.162  1.00 26.16 ? 114 SER   B CB  1 
ATOM   945  O OG  . SER   A 1 108 ? -38.120 -15.254 -9.257  1.00 34.31 ? 114 SER   B OG  1 
ATOM   946  N N   . TYR   A 1 109 ? -34.502 -14.043 -9.430  1.00 15.37 ? 115 TYR   B N   1 
ATOM   947  C CA  . TYR   A 1 109 ? -33.480 -14.298 -10.484 1.00 14.38 ? 115 TYR   B CA  1 
ATOM   948  C C   . TYR   A 1 109 ? -33.447 -15.796 -10.753 1.00 14.07 ? 115 TYR   B C   1 
ATOM   949  O O   . TYR   A 1 109 ? -33.470 -16.584 -9.820  1.00 14.18 ? 115 TYR   B O   1 
ATOM   950  C CB  . TYR   A 1 109 ? -32.121 -13.768 -10.054 1.00 14.32 ? 115 TYR   B CB  1 
ATOM   951  C CG  . TYR   A 1 109 ? -32.083 -12.260 -9.829  1.00 14.82 ? 115 TYR   B CG  1 
ATOM   952  C CD1 . TYR   A 1 109 ? -32.299 -11.733 -8.570  1.00 16.34 ? 115 TYR   B CD1 1 
ATOM   953  C CD2 . TYR   A 1 109 ? -31.733 -11.392 -10.845 1.00 13.95 ? 115 TYR   B CD2 1 
ATOM   954  C CE1 . TYR   A 1 109 ? -32.219 -10.368 -8.342  1.00 16.40 ? 115 TYR   B CE1 1 
ATOM   955  C CE2 . TYR   A 1 109 ? -31.649 -10.031 -10.629 1.00 14.08 ? 115 TYR   B CE2 1 
ATOM   956  C CZ  . TYR   A 1 109 ? -31.895 -9.516  -9.370  1.00 15.87 ? 115 TYR   B CZ  1 
ATOM   957  O OH  . TYR   A 1 109 ? -31.889 -8.159  -9.144  1.00 16.51 ? 115 TYR   B OH  1 
ATOM   958  N N   A GLU   A 1 110 ? -33.424 -16.195 -12.030 0.25 13.73 ? 116 GLU   B N   1 
ATOM   959  N N   B GLU   A 1 110 ? -33.431 -16.176 -12.037 0.25 13.71 ? 116 GLU   B N   1 
ATOM   960  C CA  A GLU   A 1 110 ? -33.388 -17.632 -12.419 0.25 14.02 ? 116 GLU   B CA  1 
ATOM   961  C CA  B GLU   A 1 110 ? -33.424 -17.595 -12.488 0.25 13.96 ? 116 GLU   B CA  1 
ATOM   962  C C   A GLU   A 1 110 ? -32.477 -17.860 -13.627 0.25 12.97 ? 116 GLU   B C   1 
ATOM   963  C C   B GLU   A 1 110 ? -32.356 -17.807 -13.569 0.25 12.87 ? 116 GLU   B C   1 
ATOM   964  O O   A GLU   A 1 110 ? -32.404 -16.990 -14.498 0.25 12.70 ? 116 GLU   B O   1 
ATOM   965  O O   B GLU   A 1 110 ? -31.988 -16.846 -14.262 0.25 12.37 ? 116 GLU   B O   1 
ATOM   966  C CB  A GLU   A 1 110 ? -34.782 -18.161 -12.727 0.25 15.14 ? 116 GLU   B CB  1 
ATOM   967  C CB  B GLU   A 1 110 ? -34.793 -18.013 -13.019 0.25 15.16 ? 116 GLU   B CB  1 
ATOM   968  C CG  A GLU   A 1 110 ? -35.699 -18.117 -11.515 0.25 16.71 ? 116 GLU   B CG  1 
ATOM   969  C CG  B GLU   A 1 110 ? -35.929 -17.799 -12.025 0.25 17.14 ? 116 GLU   B CG  1 
ATOM   970  C CD  A GLU   A 1 110 ? -37.155 -18.394 -11.837 0.25 18.73 ? 116 GLU   B CD  1 
ATOM   971  C CD  B GLU   A 1 110 ? -36.109 -18.934 -11.027 0.25 18.70 ? 116 GLU   B CD  1 
ATOM   972  O OE1 A GLU   A 1 110 ? -37.620 -17.919 -12.894 0.25 19.59 ? 116 GLU   B OE1 1 
ATOM   973  O OE1 B GLU   A 1 110 ? -35.719 -20.071 -11.343 0.25 21.82 ? 116 GLU   B OE1 1 
ATOM   974  O OE2 A GLU   A 1 110 ? -37.817 -19.086 -11.028 0.25 18.85 ? 116 GLU   B OE2 1 
ATOM   975  O OE2 B GLU   A 1 110 ? -36.670 -18.676 -9.955  0.25 22.64 ? 116 GLU   B OE2 1 
ATOM   976  N N   . ALA   A 1 111 ? -31.845 -19.041 -13.679 1.00 13.26 ? 117 ALA   B N   1 
ATOM   977  C CA  . ALA   A 1 111 ? -31.089 -19.476 -14.865 1.00 13.05 ? 117 ALA   B CA  1 
ATOM   978  C C   . ALA   A 1 111 ? -32.035 -20.220 -15.811 1.00 13.85 ? 117 ALA   B C   1 
ATOM   979  O O   . ALA   A 1 111 ? -32.910 -21.011 -15.384 1.00 14.37 ? 117 ALA   B O   1 
ATOM   980  C CB  . ALA   A 1 111 ? -29.923 -20.371 -14.481 1.00 13.37 ? 117 ALA   B CB  1 
ATOM   981  N N   . GLY   A 1 112 ? -31.876 -19.925 -17.097 1.00 13.64 ? 118 GLY   B N   1 
ATOM   982  C CA  . GLY   A 1 112 ? -32.646 -20.502 -18.212 1.00 14.19 ? 118 GLY   B CA  1 
ATOM   983  C C   . GLY   A 1 112 ? -32.306 -21.949 -18.508 1.00 16.30 ? 118 GLY   B C   1 
ATOM   984  O O   . GLY   A 1 112 ? -31.996 -22.265 -19.622 1.00 17.17 ? 118 GLY   B O   1 
ATOM   985  N N   . THR   A 1 113 ? -32.335 -22.813 -17.528 1.00 17.46 ? 119 THR   B N   1 
ATOM   986  C CA  . THR   A 1 113 ? -32.363 -24.265 -17.736 1.00 18.63 ? 119 THR   B CA  1 
ATOM   987  C C   . THR   A 1 113 ? -33.810 -24.704 -17.983 1.00 18.34 ? 119 THR   B C   1 
ATOM   988  O O   . THR   A 1 113 ? -34.732 -23.903 -17.790 1.00 21.65 ? 119 THR   B O   1 
ATOM   989  C CB  . THR   A 1 113 ? -31.715 -24.891 -16.515 1.00 16.27 ? 119 THR   B CB  1 
ATOM   990  O OG1 . THR   A 1 113 ? -32.368 -24.422 -15.332 1.00 17.00 ? 119 THR   B OG1 1 
ATOM   991  C CG2 . THR   A 1 113 ? -30.253 -24.617 -16.370 1.00 17.12 ? 119 THR   B CG2 1 
ATOM   992  N N   . SER   A 1 114 ? -34.020 -25.980 -18.298 1.00 21.51 ? 120 SER   B N   1 
ATOM   993  C CA  . SER   A 1 114 ? -35.365 -26.563 -18.482 1.00 25.65 ? 120 SER   B CA  1 
ATOM   994  C C   . SER   A 1 114 ? -35.516 -27.746 -17.537 1.00 25.75 ? 120 SER   B C   1 
ATOM   995  O O   . SER   A 1 114 ? -34.872 -28.765 -17.722 1.00 28.92 ? 120 SER   B O   1 
ATOM   996  C CB  . SER   A 1 114 ? -35.582 -26.979 -19.923 1.00 32.32 ? 120 SER   B CB  1 
ATOM   997  O OG  . SER   A 1 114 ? -36.918 -27.428 -20.090 1.00 34.63 ? 120 SER   B OG  1 
ATOM   998  N N   . PRO   A 1 115 ? -36.271 -27.636 -16.432 1.00 25.78 ? 121 PRO   B N   1 
ATOM   999  C CA  . PRO   A 1 115 ? -36.929 -26.404 -16.023 1.00 24.85 ? 121 PRO   B CA  1 
ATOM   1000 C C   . PRO   A 1 115 ? -35.931 -25.402 -15.420 1.00 20.53 ? 121 PRO   B C   1 
ATOM   1001 O O   . PRO   A 1 115 ? -34.770 -25.746 -15.144 1.00 19.97 ? 121 PRO   B O   1 
ATOM   1002 C CB  . PRO   A 1 115 ? -37.891 -26.868 -14.932 1.00 29.69 ? 121 PRO   B CB  1 
ATOM   1003 C CG  . PRO   A 1 115 ? -37.179 -28.057 -14.308 1.00 28.35 ? 121 PRO   B CG  1 
ATOM   1004 C CD  . PRO   A 1 115 ? -36.433 -28.729 -15.446 1.00 27.67 ? 121 PRO   B CD  1 
ATOM   1005 N N   . GLN   A 1 116 ? -36.398 -24.181 -15.200 1.00 21.06 ? 122 GLN   B N   1 
ATOM   1006 C CA  . GLN   A 1 116 ? -35.541 -23.067 -14.736 1.00 19.52 ? 122 GLN   B CA  1 
ATOM   1007 C C   . GLN   A 1 116 ? -34.978 -23.344 -13.328 1.00 17.19 ? 122 GLN   B C   1 
ATOM   1008 O O   . GLN   A 1 116 ? -35.616 -24.039 -12.530 1.00 19.11 ? 122 GLN   B O   1 
ATOM   1009 C CB  . GLN   A 1 116 ? -36.250 -21.714 -14.826 1.00 24.26 ? 122 GLN   B CB  1 
ATOM   1010 C CG  . GLN   A 1 116 ? -37.297 -21.437 -13.765 1.00 31.44 ? 122 GLN   B CG  1 
ATOM   1011 C CD  . GLN   A 1 116 ? -38.693 -21.731 -14.250 1.00 42.88 ? 122 GLN   B CD  1 
ATOM   1012 O OE1 . GLN   A 1 116 ? -38.951 -22.712 -14.959 1.00 46.15 ? 122 GLN   B OE1 1 
ATOM   1013 N NE2 . GLN   A 1 116 ? -39.622 -20.898 -13.812 1.00 49.53 ? 122 GLN   B NE2 1 
ATOM   1014 N N   . THR   A 1 117 ? -33.813 -22.770 -13.051 1.00 15.26 ? 123 THR   B N   1 
ATOM   1015 C CA  . THR   A 1 117 ? -33.072 -22.951 -11.788 1.00 14.68 ? 123 THR   B CA  1 
ATOM   1016 C C   . THR   A 1 117 ? -33.107 -21.655 -10.984 1.00 14.29 ? 123 THR   B C   1 
ATOM   1017 O O   . THR   A 1 117 ? -32.630 -20.601 -11.458 1.00 14.89 ? 123 THR   B O   1 
ATOM   1018 C CB  . THR   A 1 117 ? -31.643 -23.441 -12.059 1.00 14.45 ? 123 THR   B CB  1 
ATOM   1019 O OG1 . THR   A 1 117 ? -31.745 -24.661 -12.788 1.00 16.09 ? 123 THR   B OG1 1 
ATOM   1020 C CG2 . THR   A 1 117 ? -30.878 -23.645 -10.776 1.00 16.18 ? 123 THR   B CG2 1 
ATOM   1021 N N   . THR   A 1 118 ? -33.495 -21.741 -9.705  1.00 15.26 ? 124 THR   B N   1 
ATOM   1022 C CA  . THR   A 1 118 ? -33.439 -20.603 -8.764  1.00 16.39 ? 124 THR   B CA  1 
ATOM   1023 C C   . THR   A 1 118 ? -32.013 -20.125 -8.532  1.00 15.09 ? 124 THR   B C   1 
ATOM   1024 O O   . THR   A 1 118 ? -31.116 -20.964 -8.243  1.00 17.89 ? 124 THR   B O   1 
ATOM   1025 C CB  . THR   A 1 118 ? -34.060 -21.064 -7.432  1.00 18.38 ? 124 THR   B CB  1 
ATOM   1026 O OG1 . THR   A 1 118 ? -35.422 -21.359 -7.725  1.00 21.23 ? 124 THR   B OG1 1 
ATOM   1027 C CG2 . THR   A 1 118 ? -33.868 -20.063 -6.317  1.00 22.27 ? 124 THR   B CG2 1 
ATOM   1028 N N   . LEU   A 1 119 ? -31.769 -18.817 -8.620  1.00 13.40 ? 125 LEU   B N   1 
ATOM   1029 C CA  . LEU   A 1 119 ? -30.459 -18.205 -8.323  1.00 13.53 ? 125 LEU   B CA  1 
ATOM   1030 C C   . LEU   A 1 119 ? -30.516 -17.630 -6.903  1.00 16.73 ? 125 LEU   B C   1 
ATOM   1031 O O   . LEU   A 1 119 ? -31.644 -17.347 -6.398  1.00 20.25 ? 125 LEU   B O   1 
ATOM   1032 C CB  . LEU   A 1 119 ? -30.082 -17.126 -9.342  1.00 13.86 ? 125 LEU   B CB  1 
ATOM   1033 C CG  . LEU   A 1 119 ? -30.031 -17.633 -10.775 1.00 13.59 ? 125 LEU   B CG  1 
ATOM   1034 C CD1 . LEU   A 1 119 ? -29.793 -16.515 -11.756 1.00 14.80 ? 125 LEU   B CD1 1 
ATOM   1035 C CD2 . LEU   A 1 119 ? -28.948 -18.694 -10.929 1.00 14.93 ? 125 LEU   B CD2 1 
ATOM   1036 N N   . HIS   A 1 120 ? -29.370 -17.547 -6.256  1.00 16.22 ? 126 HIS   B N   1 
ATOM   1037 C CA  . HIS   A 1 120 ? -29.253 -17.074 -4.851  1.00 16.41 ? 126 HIS   B CA  1 
ATOM   1038 C C   . HIS   A 1 120 ? -28.410 -15.808 -4.876  1.00 17.92 ? 126 HIS   B C   1 
ATOM   1039 O O   . HIS   A 1 120 ? -27.153 -15.891 -4.882  1.00 23.05 ? 126 HIS   B O   1 
ATOM   1040 C CB  . HIS   A 1 120 ? -28.603 -18.175 -3.995  1.00 17.88 ? 126 HIS   B CB  1 
ATOM   1041 C CG  . HIS   A 1 120 ? -29.372 -19.462 -3.964  1.00 19.85 ? 126 HIS   B CG  1 
ATOM   1042 N ND1 . HIS   A 1 120 ? -29.074 -20.550 -4.793  1.00 23.59 ? 126 HIS   B ND1 1 
ATOM   1043 C CD2 . HIS   A 1 120 ? -30.465 -19.832 -3.268  1.00 22.29 ? 126 HIS   B CD2 1 
ATOM   1044 C CE1 . HIS   A 1 120 ? -29.964 -21.508 -4.589  1.00 24.08 ? 126 HIS   B CE1 1 
ATOM   1045 N NE2 . HIS   A 1 120 ? -30.801 -21.109 -3.647  1.00 21.02 ? 126 HIS   B NE2 1 
ATOM   1046 N N   . ILE   A 1 121 ? -29.051 -14.667 -4.936  1.00 21.36 ? 127 ILE   B N   1 
ATOM   1047 C CA  . ILE   A 1 121 ? -28.363 -13.354 -5.051  1.00 23.29 ? 127 ILE   B CA  1 
ATOM   1048 C C   . ILE   A 1 121 ? -28.753 -12.517 -3.811  1.00 23.71 ? 127 ILE   B C   1 
ATOM   1049 O O   . ILE   A 1 121 ? -29.930 -12.267 -3.600  1.00 28.47 ? 127 ILE   B O   1 
ATOM   1050 C CB  . ILE   A 1 121 ? -28.698 -12.660 -6.389  1.00 24.72 ? 127 ILE   B CB  1 
ATOM   1051 C CG1 . ILE   A 1 121 ? -28.348 -13.550 -7.594  1.00 23.62 ? 127 ILE   B CG1 1 
ATOM   1052 C CG2 . ILE   A 1 121 ? -27.950 -11.335 -6.432  1.00 29.26 ? 127 ILE   B CG2 1 
ATOM   1053 C CD1 . ILE   A 1 121 ? -28.521 -12.901 -8.940  1.00 24.24 ? 127 ILE   B CD1 1 
ATOM   1054 N N   . GLN   A 1 122 ? -27.772 -12.159 -2.999  1.00 27.51 ? 128 GLN   B N   1 
ATOM   1055 C CA  . GLN   A 1 122 ? -27.992 -11.367 -1.755  1.00 28.99 ? 128 GLN   B CA  1 
ATOM   1056 C C   . GLN   A 1 122 ? -28.021 -9.872  -2.116  1.00 27.89 ? 128 GLN   B C   1 
ATOM   1057 O O   . GLN   A 1 122 ? -28.807 -9.124  -1.499  1.00 27.30 ? 128 GLN   B O   1 
ATOM   1058 C CB  . GLN   A 1 122 ? -26.888 -11.749 -0.758  1.00 32.12 ? 128 GLN   B CB  1 
ATOM   1059 C CG  . GLN   A 1 122 ? -26.822 -10.865 0.492   1.00 42.74 ? 128 GLN   B CG  1 
ATOM   1060 C CD  . GLN   A 1 122 ? -28.000 -11.023 1.431   1.00 48.01 ? 128 GLN   B CD  1 
ATOM   1061 O OE1 . GLN   A 1 122 ? -28.872 -11.870 1.248   1.00 47.38 ? 128 GLN   B OE1 1 
ATOM   1062 N NE2 . GLN   A 1 122 ? -28.038 -10.187 2.459   1.00 53.99 ? 128 GLN   B NE2 1 
ATOM   1063 N N   . VAL   A 1 123 ? -27.230 -9.463  -3.106  1.00 22.37 ? 129 VAL   B N   1 
ATOM   1064 C CA  . VAL   A 1 123 ? -27.088 -8.024  -3.508  1.00 21.89 ? 129 VAL   B CA  1 
ATOM   1065 C C   . VAL   A 1 123 ? -27.646 -7.848  -4.914  1.00 23.06 ? 129 VAL   B C   1 
ATOM   1066 O O   . VAL   A 1 123 ? -27.004 -8.314  -5.848  1.00 20.92 ? 129 VAL   B O   1 
ATOM   1067 C CB  . VAL   A 1 123 ? -25.611 -7.592  -3.466  1.00 23.32 ? 129 VAL   B CB  1 
ATOM   1068 C CG1 . VAL   A 1 123 ? -25.388 -6.176  -4.006  1.00 23.88 ? 129 VAL   B CG1 1 
ATOM   1069 C CG2 . VAL   A 1 123 ? -25.026 -7.709  -2.065  1.00 26.87 ? 129 VAL   B CG2 1 
ATOM   1070 N N   . PRO   A 1 124 ? -28.873 -7.300  -5.109  1.00 21.99 ? 130 PRO   B N   1 
ATOM   1071 C CA  . PRO   A 1 124 ? -29.442 -7.179  -6.455  1.00 21.56 ? 130 PRO   B CA  1 
ATOM   1072 C C   . PRO   A 1 124 ? -28.458 -6.486  -7.379  1.00 19.99 ? 130 PRO   B C   1 
ATOM   1073 O O   . PRO   A 1 124 ? -27.961 -5.429  -7.067  1.00 19.42 ? 130 PRO   B O   1 
ATOM   1074 C CB  . PRO   A 1 124 ? -30.724 -6.348  -6.226  1.00 24.66 ? 130 PRO   B CB  1 
ATOM   1075 C CG  . PRO   A 1 124 ? -31.128 -6.761  -4.799  1.00 24.04 ? 130 PRO   B CG  1 
ATOM   1076 C CD  . PRO   A 1 124 ? -29.832 -6.892  -4.054  1.00 23.27 ? 130 PRO   B CD  1 
ATOM   1077 N N   . PRO   A 1 125 ? -28.064 -7.086  -8.516  1.00 19.20 ? 131 PRO   B N   1 
ATOM   1078 C CA  . PRO   A 1 125 ? -27.042 -6.492  -9.361  1.00 18.45 ? 131 PRO   B CA  1 
ATOM   1079 C C   . PRO   A 1 125 ? -27.514 -5.279  -10.173 1.00 17.19 ? 131 PRO   B C   1 
ATOM   1080 O O   . PRO   A 1 125 ? -28.647 -5.298  -10.630 1.00 18.13 ? 131 PRO   B O   1 
ATOM   1081 C CB  . PRO   A 1 125 ? -26.591 -7.648  -10.267 1.00 19.23 ? 131 PRO   B CB  1 
ATOM   1082 C CG  . PRO   A 1 125 ? -27.679 -8.638  -10.186 1.00 20.07 ? 131 PRO   B CG  1 
ATOM   1083 C CD  . PRO   A 1 125 ? -28.391 -8.468  -8.882  1.00 18.76 ? 131 PRO   B CD  1 
ATOM   1084 N N   . CYS   A 1 126 ? -26.661 -4.259  -10.273 1.00 18.23 ? 132 CYS   B N   1 
ATOM   1085 C CA  . CYS   A 1 126 ? -26.850 -3.131  -11.221 1.00 18.25 ? 132 CYS   B CA  1 
ATOM   1086 C C   . CYS   A 1 126 ? -26.072 -3.401  -12.514 1.00 16.67 ? 132 CYS   B C   1 
ATOM   1087 O O   . CYS   A 1 126 ? -26.413 -2.836  -13.551 1.00 15.52 ? 132 CYS   B O   1 
ATOM   1088 C CB  . CYS   A 1 126 ? -26.461 -1.786  -10.623 1.00 21.34 ? 132 CYS   B CB  1 
ATOM   1089 S SG  . CYS   A 1 126 ? -27.560 -1.383  -9.228  1.00 28.95 ? 132 CYS   B SG  1 
ATOM   1090 N N   A GLN   A 1 127 ? -25.011 -4.220  -12.465 0.25 17.03 ? 133 GLN   B N   1 
ATOM   1091 N N   B GLN   A 1 127 ? -25.075 -4.286  -12.445 0.25 17.26 ? 133 GLN   B N   1 
ATOM   1092 C CA  A GLN   A 1 127 ? -24.251 -4.630  -13.683 0.25 17.27 ? 133 GLN   B CA  1 
ATOM   1093 C CA  B GLN   A 1 127 ? -24.235 -4.654  -13.613 0.25 17.95 ? 133 GLN   B CA  1 
ATOM   1094 C C   A GLN   A 1 127 ? -23.897 -6.123  -13.596 0.25 16.45 ? 133 GLN   B C   1 
ATOM   1095 C C   B GLN   A 1 127 ? -23.983 -6.168  -13.567 0.25 16.83 ? 133 GLN   B C   1 
ATOM   1096 O O   A GLN   A 1 127 ? -23.513 -6.597  -12.504 0.25 15.13 ? 133 GLN   B O   1 
ATOM   1097 O O   B GLN   A 1 127 ? -23.845 -6.728  -12.456 0.25 15.31 ? 133 GLN   B O   1 
ATOM   1098 C CB  A GLN   A 1 127 ? -22.958 -3.836  -13.907 0.25 19.31 ? 133 GLN   B CB  1 
ATOM   1099 C CB  B GLN   A 1 127 ? -22.945 -3.829  -13.624 0.25 20.70 ? 133 GLN   B CB  1 
ATOM   1100 C CG  A GLN   A 1 127 ? -23.155 -2.354  -14.182 0.25 20.90 ? 133 GLN   B CG  1 
ATOM   1101 C CG  B GLN   A 1 127 ? -23.181 -2.347  -13.866 0.25 22.93 ? 133 GLN   B CG  1 
ATOM   1102 C CD  A GLN   A 1 127 ? -23.076 -1.564  -12.900 0.25 22.23 ? 133 GLN   B CD  1 
ATOM   1103 C CD  B GLN   A 1 127 ? -21.910 -1.564  -14.078 0.25 23.47 ? 133 GLN   B CD  1 
ATOM   1104 O OE1 A GLN   A 1 127 ? -22.327 -1.913  -11.988 0.25 22.28 ? 133 GLN   B OE1 1 
ATOM   1105 O OE1 B GLN   A 1 127 ? -20.825 -2.117  -14.235 0.25 28.46 ? 133 GLN   B OE1 1 
ATOM   1106 N NE2 A GLN   A 1 127 ? -23.870 -0.505  -12.816 0.25 21.12 ? 133 GLN   B NE2 1 
ATOM   1107 N NE2 B GLN   A 1 127 ? -22.047 -0.254  -14.107 0.25 26.07 ? 133 GLN   B NE2 1 
ATOM   1108 N N   . ILE   A 1 128 ? -24.003 -6.803  -14.741 1.00 15.24 ? 134 ILE   B N   1 
ATOM   1109 C CA  . ILE   A 1 128 ? -23.821 -8.276  -14.890 1.00 15.21 ? 134 ILE   B CA  1 
ATOM   1110 C C   . ILE   A 1 128 ? -22.598 -8.447  -15.782 1.00 14.92 ? 134 ILE   B C   1 
ATOM   1111 O O   . ILE   A 1 128 ? -22.548 -7.834  -16.881 1.00 15.03 ? 134 ILE   B O   1 
ATOM   1112 C CB  . ILE   A 1 128 ? -25.077 -8.930  -15.495 1.00 16.36 ? 134 ILE   B CB  1 
ATOM   1113 C CG1 . ILE   A 1 128 ? -26.360 -8.747  -14.669 1.00 18.80 ? 134 ILE   B CG1 1 
ATOM   1114 C CG2 . ILE   A 1 128 ? -24.786 -10.408 -15.769 1.00 15.76 ? 134 ILE   B CG2 1 
ATOM   1115 C CD1 . ILE   A 1 128 ? -26.376 -9.503  -13.434 1.00 18.64 ? 134 ILE   B CD1 1 
ATOM   1116 N N   . GLY   A 1 129 ? -21.662 -9.311  -15.386 1.00 15.04 ? 135 GLY   B N   1 
ATOM   1117 C CA  . GLY   A 1 129 ? -20.550 -9.739  -16.259 1.00 14.65 ? 135 GLY   B CA  1 
ATOM   1118 C C   . GLY   A 1 129 ? -20.844 -11.108 -16.850 1.00 15.17 ? 135 GLY   B C   1 
ATOM   1119 O O   . GLY   A 1 129 ? -21.407 -11.949 -16.152 1.00 14.56 ? 135 GLY   B O   1 
ATOM   1120 N N   . ILE   A 1 130 ? -20.631 -11.249 -18.162 1.00 14.67 ? 136 ILE   B N   1 
ATOM   1121 C CA  . ILE   A 1 130 ? -20.871 -12.516 -18.915 1.00 13.82 ? 136 ILE   B CA  1 
ATOM   1122 C C   . ILE   A 1 130 ? -19.532 -12.997 -19.495 1.00 14.86 ? 136 ILE   B C   1 
ATOM   1123 O O   . ILE   A 1 130 ? -18.845 -12.251 -20.186 1.00 14.79 ? 136 ILE   B O   1 
ATOM   1124 C CB  . ILE   A 1 130 ? -21.926 -12.303 -20.022 1.00 15.01 ? 136 ILE   B CB  1 
ATOM   1125 C CG1 . ILE   A 1 130 ? -23.236 -11.816 -19.408 1.00 16.87 ? 136 ILE   B CG1 1 
ATOM   1126 C CG2 . ILE   A 1 130 ? -22.135 -13.565 -20.854 1.00 16.31 ? 136 ILE   B CG2 1 
ATOM   1127 C CD1 . ILE   A 1 130 ? -24.235 -11.376 -20.405 1.00 20.09 ? 136 ILE   B CD1 1 
ATOM   1128 N N   . PHE   A 1 131 ? -19.171 -14.220 -19.173 1.00 14.57 ? 137 PHE   B N   1 
ATOM   1129 C CA  . PHE   A 1 131 ? -17.907 -14.865 -19.609 1.00 14.60 ? 137 PHE   B CA  1 
ATOM   1130 C C   . PHE   A 1 131 ? -18.262 -16.112 -20.414 1.00 13.99 ? 137 PHE   B C   1 
ATOM   1131 O O   . PHE   A 1 131 ? -19.056 -16.969 -19.949 1.00 14.45 ? 137 PHE   B O   1 
ATOM   1132 C CB  . PHE   A 1 131 ? -17.055 -15.270 -18.407 1.00 16.46 ? 137 PHE   B CB  1 
ATOM   1133 C CG  . PHE   A 1 131 ? -15.806 -16.049 -18.772 1.00 16.00 ? 137 PHE   B CG  1 
ATOM   1134 C CD1 . PHE   A 1 131 ? -14.791 -15.440 -19.495 1.00 18.00 ? 137 PHE   B CD1 1 
ATOM   1135 C CD2 . PHE   A 1 131 ? -15.660 -17.386 -18.434 1.00 17.44 ? 137 PHE   B CD2 1 
ATOM   1136 C CE1 . PHE   A 1 131 ? -13.627 -16.140 -19.801 1.00 21.17 ? 137 PHE   B CE1 1 
ATOM   1137 C CE2 . PHE   A 1 131 ? -14.513 -18.098 -18.769 1.00 19.97 ? 137 PHE   B CE2 1 
ATOM   1138 C CZ  . PHE   A 1 131 ? -13.491 -17.461 -19.424 1.00 19.14 ? 137 PHE   B CZ  1 
ATOM   1139 N N   . VAL   A 1 132 ? -17.701 -16.220 -21.631 1.00 14.00 ? 138 VAL   B N   1 
ATOM   1140 C CA  . VAL   A 1 132 ? -17.867 -17.430 -22.473 1.00 13.98 ? 138 VAL   B CA  1 
ATOM   1141 C C   . VAL   A 1 132 ? -16.475 -18.011 -22.764 1.00 13.59 ? 138 VAL   B C   1 
ATOM   1142 O O   . VAL   A 1 132 ? -15.604 -17.296 -23.227 1.00 15.63 ? 138 VAL   B O   1 
ATOM   1143 C CB  . VAL   A 1 132 ? -18.584 -17.123 -23.798 1.00 14.36 ? 138 VAL   B CB  1 
ATOM   1144 C CG1 . VAL   A 1 132 ? -18.718 -18.367 -24.676 1.00 15.54 ? 138 VAL   B CG1 1 
ATOM   1145 C CG2 . VAL   A 1 132 ? -19.958 -16.520 -23.504 1.00 15.10 ? 138 VAL   B CG2 1 
ATOM   1146 N N   . ASP   A 1 133 ? -16.321 -19.291 -22.473 1.00 14.52 ? 139 ASP   B N   1 
ATOM   1147 C CA  . ASP   A 1 133 ? -15.140 -20.086 -22.918 1.00 16.15 ? 139 ASP   B CA  1 
ATOM   1148 C C   . ASP   A 1 133 ? -15.652 -21.100 -23.939 1.00 14.02 ? 139 ASP   B C   1 
ATOM   1149 O O   . ASP   A 1 133 ? -16.265 -22.139 -23.553 1.00 14.63 ? 139 ASP   B O   1 
ATOM   1150 C CB  . ASP   A 1 133 ? -14.404 -20.685 -21.735 1.00 16.07 ? 139 ASP   B CB  1 
ATOM   1151 C CG  . ASP   A 1 133 ? -13.113 -21.404 -22.102 1.00 19.88 ? 139 ASP   B CG  1 
ATOM   1152 O OD1 . ASP   A 1 133 ? -12.988 -21.870 -23.284 1.00 19.63 ? 139 ASP   B OD1 1 
ATOM   1153 O OD2 . ASP   A 1 133 ? -12.293 -21.555 -21.163 1.00 23.00 ? 139 ASP   B OD2 1 
ATOM   1154 N N   . TYR   A 1 134 ? -15.437 -20.803 -25.224 1.00 15.60 ? 140 TYR   B N   1 
ATOM   1155 C CA  . TYR   A 1 134 ? -15.984 -21.641 -26.312 1.00 14.50 ? 140 TYR   B CA  1 
ATOM   1156 C C   . TYR   A 1 134 ? -15.462 -23.090 -26.226 1.00 16.58 ? 140 TYR   B C   1 
ATOM   1157 O O   . TYR   A 1 134 ? -16.207 -24.059 -26.177 1.00 18.08 ? 140 TYR   B O   1 
ATOM   1158 C CB  . TYR   A 1 134 ? -15.715 -21.019 -27.693 1.00 15.28 ? 140 TYR   B CB  1 
ATOM   1159 C CG  . TYR   A 1 134 ? -16.655 -21.608 -28.728 1.00 16.00 ? 140 TYR   B CG  1 
ATOM   1160 C CD1 . TYR   A 1 134 ? -16.504 -22.909 -29.190 1.00 15.30 ? 140 TYR   B CD1 1 
ATOM   1161 C CD2 . TYR   A 1 134 ? -17.802 -20.930 -29.147 1.00 15.62 ? 140 TYR   B CD2 1 
ATOM   1162 C CE1 . TYR   A 1 134 ? -17.392 -23.495 -30.072 1.00 16.01 ? 140 TYR   B CE1 1 
ATOM   1163 C CE2 . TYR   A 1 134 ? -18.713 -21.516 -30.012 1.00 14.43 ? 140 TYR   B CE2 1 
ATOM   1164 C CZ  . TYR   A 1 134 ? -18.504 -22.798 -30.508 1.00 15.23 ? 140 TYR   B CZ  1 
ATOM   1165 O OH  . TYR   A 1 134 ? -19.401 -23.417 -31.347 1.00 15.10 ? 140 TYR   B OH  1 
ATOM   1166 N N   . GLU   A 1 135 ? -14.148 -23.216 -26.111 1.00 18.66 ? 141 GLU   B N   1 
ATOM   1167 C CA  . GLU   A 1 135 ? -13.523 -24.560 -26.144 1.00 19.74 ? 141 GLU   B CA  1 
ATOM   1168 C C   . GLU   A 1 135 ? -13.956 -25.352 -24.921 1.00 18.48 ? 141 GLU   B C   1 
ATOM   1169 O O   . GLU   A 1 135 ? -14.249 -26.546 -25.061 1.00 22.39 ? 141 GLU   B O   1 
ATOM   1170 C CB  . GLU   A 1 135 ? -12.005 -24.433 -26.250 1.00 20.45 ? 141 GLU   B CB  1 
ATOM   1171 C CG  . GLU   A 1 135 ? -11.540 -24.244 -27.695 1.00 26.89 ? 141 GLU   B CG  1 
ATOM   1172 C CD  . GLU   A 1 135 ? -11.942 -22.930 -28.298 1.00 29.57 ? 141 GLU   B CD  1 
ATOM   1173 O OE1 . GLU   A 1 135 ? -12.170 -22.903 -29.480 1.00 29.08 ? 141 GLU   B OE1 1 
ATOM   1174 O OE2 . GLU   A 1 135 ? -12.016 -21.931 -27.554 1.00 35.56 ? 141 GLU   B OE2 1 
ATOM   1175 N N   . ALA   A 1 136 ? -13.981 -24.740 -23.740 1.00 17.20 ? 142 ALA   B N   1 
ATOM   1176 C CA  . ALA   A 1 136 ? -14.359 -25.433 -22.499 1.00 18.38 ? 142 ALA   B CA  1 
ATOM   1177 C C   . ALA   A 1 136 ? -15.853 -25.738 -22.440 1.00 17.31 ? 142 ALA   B C   1 
ATOM   1178 O O   . ALA   A 1 136 ? -16.252 -26.624 -21.658 1.00 20.11 ? 142 ALA   B O   1 
ATOM   1179 C CB  . ALA   A 1 136 ? -13.944 -24.606 -21.312 1.00 18.87 ? 142 ALA   B CB  1 
ATOM   1180 N N   . GLY   A 1 137 ? -16.702 -25.083 -23.233 1.00 15.18 ? 143 GLY   B N   1 
ATOM   1181 C CA  . GLY   A 1 137 ? -18.149 -25.283 -23.135 1.00 14.12 ? 143 GLY   B CA  1 
ATOM   1182 C C   . GLY   A 1 137 ? -18.718 -24.642 -21.868 1.00 13.84 ? 143 GLY   B C   1 
ATOM   1183 O O   . GLY   A 1 137 ? -19.504 -25.325 -21.175 1.00 15.03 ? 143 GLY   B O   1 
ATOM   1184 N N   . VAL   A 1 138 ? -18.341 -23.408 -21.585 1.00 14.01 ? 144 VAL   B N   1 
ATOM   1185 C CA  . VAL   A 1 138 ? -18.704 -22.704 -20.311 1.00 14.42 ? 144 VAL   B CA  1 
ATOM   1186 C C   . VAL   A 1 138 ? -19.325 -21.345 -20.616 1.00 13.29 ? 144 VAL   B C   1 
ATOM   1187 O O   . VAL   A 1 138 ? -18.748 -20.561 -21.399 1.00 15.00 ? 144 VAL   B O   1 
ATOM   1188 C CB  . VAL   A 1 138 ? -17.463 -22.567 -19.409 1.00 15.16 ? 144 VAL   B CB  1 
ATOM   1189 C CG1 . VAL   A 1 138 ? -17.737 -21.617 -18.229 1.00 16.44 ? 144 VAL   B CG1 1 
ATOM   1190 C CG2 . VAL   A 1 138 ? -16.997 -23.947 -18.946 1.00 16.40 ? 144 VAL   B CG2 1 
ATOM   1191 N N   . VAL   A 1 139 ? -20.429 -21.032 -19.932 1.00 14.14 ? 145 VAL   B N   1 
ATOM   1192 C CA  . VAL   A 1 139 ? -20.965 -19.644 -19.876 1.00 12.68 ? 145 VAL   B CA  1 
ATOM   1193 C C   . VAL   A 1 139 ? -21.154 -19.297 -18.392 1.00 12.05 ? 145 VAL   B C   1 
ATOM   1194 O O   . VAL   A 1 139 ? -21.943 -20.018 -17.724 1.00 14.06 ? 145 VAL   B O   1 
ATOM   1195 C CB  . VAL   A 1 139 ? -22.310 -19.523 -20.628 1.00 13.45 ? 145 VAL   B CB  1 
ATOM   1196 C CG1 . VAL   A 1 139 ? -22.764 -18.056 -20.639 1.00 13.41 ? 145 VAL   B CG1 1 
ATOM   1197 C CG2 . VAL   A 1 139 ? -22.151 -20.076 -22.045 1.00 13.18 ? 145 VAL   B CG2 1 
ATOM   1198 N N   . SER   A 1 140 ? -20.523 -18.241 -17.920 1.00 12.34 ? 146 SER   B N   1 
ATOM   1199 C CA  . SER   A 1 140 ? -20.625 -17.836 -16.492 1.00 12.74 ? 146 SER   B CA  1 
ATOM   1200 C C   . SER   A 1 140 ? -21.120 -16.397 -16.377 1.00 12.89 ? 146 SER   B C   1 
ATOM   1201 O O   . SER   A 1 140 ? -20.796 -15.558 -17.203 1.00 14.03 ? 146 SER   B O   1 
ATOM   1202 C CB  . SER   A 1 140 ? -19.298 -17.999 -15.793 1.00 12.97 ? 146 SER   B CB  1 
ATOM   1203 O OG  . SER   A 1 140 ? -18.932 -19.383 -15.691 1.00 13.75 ? 146 SER   B OG  1 
ATOM   1204 N N   . PHE   A 1 141 ? -21.844 -16.125 -15.297 1.00 12.28 ? 147 PHE   B N   1 
ATOM   1205 C CA  . PHE   A 1 141 ? -22.446 -14.810 -15.004 1.00 12.16 ? 147 PHE   B CA  1 
ATOM   1206 C C   . PHE   A 1 141 ? -21.909 -14.343 -13.664 1.00 12.88 ? 147 PHE   B C   1 
ATOM   1207 O O   . PHE   A 1 141 ? -21.964 -15.162 -12.687 1.00 13.36 ? 147 PHE   B O   1 
ATOM   1208 C CB  . PHE   A 1 141 ? -23.988 -14.927 -14.977 1.00 11.94 ? 147 PHE   B CB  1 
ATOM   1209 C CG  . PHE   A 1 141 ? -24.566 -15.330 -16.306 1.00 12.53 ? 147 PHE   B CG  1 
ATOM   1210 C CD1 . PHE   A 1 141 ? -24.639 -16.677 -16.668 1.00 11.38 ? 147 PHE   B CD1 1 
ATOM   1211 C CD2 . PHE   A 1 141 ? -25.052 -14.366 -17.186 1.00 12.87 ? 147 PHE   B CD2 1 
ATOM   1212 C CE1 . PHE   A 1 141 ? -25.110 -17.046 -17.922 1.00 12.14 ? 147 PHE   B CE1 1 
ATOM   1213 C CE2 . PHE   A 1 141 ? -25.545 -14.743 -18.435 1.00 11.70 ? 147 PHE   B CE2 1 
ATOM   1214 C CZ  . PHE   A 1 141 ? -25.605 -16.079 -18.778 1.00 11.17 ? 147 PHE   B CZ  1 
ATOM   1215 N N   . TYR   A 1 142 ? -21.556 -13.062 -13.593 1.00 13.04 ? 148 TYR   B N   1 
ATOM   1216 C CA  . TYR   A 1 142 ? -20.933 -12.451 -12.389 1.00 15.13 ? 148 TYR   B CA  1 
ATOM   1217 C C   . TYR   A 1 142 ? -21.696 -11.192 -11.967 1.00 15.45 ? 148 TYR   B C   1 
ATOM   1218 O O   . TYR   A 1 142 ? -22.189 -10.411 -12.785 1.00 15.44 ? 148 TYR   B O   1 
ATOM   1219 C CB  . TYR   A 1 142 ? -19.461 -12.163 -12.650 1.00 15.06 ? 148 TYR   B CB  1 
ATOM   1220 C CG  . TYR   A 1 142 ? -18.664 -13.411 -12.921 1.00 15.51 ? 148 TYR   B CG  1 
ATOM   1221 C CD1 . TYR   A 1 142 ? -18.206 -14.200 -11.882 1.00 17.63 ? 148 TYR   B CD1 1 
ATOM   1222 C CD2 . TYR   A 1 142 ? -18.444 -13.849 -14.213 1.00 16.21 ? 148 TYR   B CD2 1 
ATOM   1223 C CE1 . TYR   A 1 142 ? -17.511 -15.374 -12.137 1.00 17.36 ? 148 TYR   B CE1 1 
ATOM   1224 C CE2 . TYR   A 1 142 ? -17.738 -15.009 -14.487 1.00 17.08 ? 148 TYR   B CE2 1 
ATOM   1225 C CZ  . TYR   A 1 142 ? -17.238 -15.765 -13.443 1.00 17.80 ? 148 TYR   B CZ  1 
ATOM   1226 O OH  . TYR   A 1 142 ? -16.579 -16.943 -13.718 1.00 19.48 ? 148 TYR   B OH  1 
ATOM   1227 N N   . ASN   A 1 143 ? -21.781 -10.987 -10.648 1.00 16.99 ? 149 ASN   B N   1 
ATOM   1228 C CA  . ASN   A 1 143 ? -22.479 -9.831  -10.024 1.00 16.44 ? 149 ASN   B CA  1 
ATOM   1229 C C   . ASN   A 1 143 ? -21.450 -8.721  -9.821  1.00 17.43 ? 149 ASN   B C   1 
ATOM   1230 O O   . ASN   A 1 143 ? -20.700 -8.766  -8.813  1.00 17.80 ? 149 ASN   B O   1 
ATOM   1231 C CB  . ASN   A 1 143 ? -23.067 -10.254 -8.684  1.00 16.53 ? 149 ASN   B CB  1 
ATOM   1232 C CG  . ASN   A 1 143 ? -23.921 -9.173  -8.053  1.00 16.41 ? 149 ASN   B CG  1 
ATOM   1233 O OD1 . ASN   A 1 143 ? -23.781 -8.006  -8.413  1.00 17.14 ? 149 ASN   B OD1 1 
ATOM   1234 N ND2 . ASN   A 1 143 ? -24.811 -9.562  -7.182  1.00 17.67 ? 149 ASN   B ND2 1 
ATOM   1235 N N   . ILE   A 1 144 ? -21.375 -7.752  -10.719 1.00 17.40 ? 150 ILE   B N   1 
ATOM   1236 C CA  . ILE   A 1 144 ? -20.312 -6.718  -10.696 1.00 18.92 ? 150 ILE   B CA  1 
ATOM   1237 C C   . ILE   A 1 144 ? -20.538 -5.850  -9.435  1.00 20.83 ? 150 ILE   B C   1 
ATOM   1238 O O   . ILE   A 1 144 ? -19.545 -5.410  -8.833  1.00 21.79 ? 150 ILE   B O   1 
ATOM   1239 C CB  . ILE   A 1 144 ? -20.296 -5.909  -11.991 1.00 19.86 ? 150 ILE   B CB  1 
ATOM   1240 C CG1 . ILE   A 1 144 ? -20.087 -6.763  -13.254 1.00 21.09 ? 150 ILE   B CG1 1 
ATOM   1241 C CG2 . ILE   A 1 144 ? -19.264 -4.779  -11.912 1.00 20.56 ? 150 ILE   B CG2 1 
ATOM   1242 C CD1 . ILE   A 1 144 ? -19.010 -7.831  -13.118 1.00 25.76 ? 150 ILE   B CD1 1 
ATOM   1243 N N   . THR   A 1 145 ? -21.786 -5.632  -9.050  1.00 19.71 ? 151 THR   B N   1 
ATOM   1244 C CA  . THR   A 1 145 ? -22.183 -4.792  -7.865  1.00 20.06 ? 151 THR   B CA  1 
ATOM   1245 C C   . THR   A 1 145 ? -21.648 -5.429  -6.584  1.00 23.57 ? 151 THR   B C   1 
ATOM   1246 O O   . THR   A 1 145 ? -21.213 -4.668  -5.680  1.00 28.03 ? 151 THR   B O   1 
ATOM   1247 C CB  . THR   A 1 145 ? -23.706 -4.644  -7.792  1.00 18.69 ? 151 THR   B CB  1 
ATOM   1248 O OG1 . THR   A 1 145 ? -24.141 -4.204  -9.074  1.00 18.79 ? 151 THR   B OG1 1 
ATOM   1249 C CG2 . THR   A 1 145 ? -24.155 -3.700  -6.695  1.00 22.18 ? 151 THR   B CG2 1 
ATOM   1250 N N   . ASP   A 1 146 ? -21.589 -6.757  -6.513  1.00 22.93 ? 152 ASP   B N   1 
ATOM   1251 C CA  . ASP   A 1 146 ? -21.064 -7.499  -5.334  1.00 24.42 ? 152 ASP   B CA  1 
ATOM   1252 C C   . ASP   A 1 146 ? -19.648 -8.035  -5.579  1.00 24.30 ? 152 ASP   B C   1 
ATOM   1253 O O   . ASP   A 1 146 ? -19.457 -9.246  -5.444  1.00 25.09 ? 152 ASP   B O   1 
ATOM   1254 C CB  . ASP   A 1 146 ? -22.078 -8.544  -4.957  1.00 22.91 ? 152 ASP   B CB  1 
ATOM   1255 C CG  . ASP   A 1 146 ? -21.707 -9.331  -3.733  1.00 29.41 ? 152 ASP   B CG  1 
ATOM   1256 O OD1 . ASP   A 1 146 ? -21.318 -8.679  -2.731  1.00 27.07 ? 152 ASP   B OD1 1 
ATOM   1257 O OD2 . ASP   A 1 146 ? -21.818 -10.574 -3.815  1.00 28.06 ? 152 ASP   B OD2 1 
ATOM   1258 N N   . HIS   A 1 147 ? -18.713 -7.179  -5.978  1.00 27.07 ? 153 HIS   B N   1 
ATOM   1259 C CA  . HIS   A 1 147 ? -17.269 -7.523  -6.091  1.00 31.20 ? 153 HIS   B CA  1 
ATOM   1260 C C   . HIS   A 1 147 ? -17.082 -8.692  -7.073  1.00 29.03 ? 153 HIS   B C   1 
ATOM   1261 O O   . HIS   A 1 147 ? -16.170 -9.489  -6.886  1.00 30.17 ? 153 HIS   B O   1 
ATOM   1262 C CB  . HIS   A 1 147 ? -16.699 -7.963  -4.726  1.00 36.19 ? 153 HIS   B CB  1 
ATOM   1263 C CG  . HIS   A 1 147 ? -16.954 -7.062  -3.559  1.00 45.61 ? 153 HIS   B CG  1 
ATOM   1264 N ND1 . HIS   A 1 147 ? -16.198 -5.927  -3.315  1.00 51.22 ? 153 HIS   B ND1 1 
ATOM   1265 C CD2 . HIS   A 1 147 ? -17.823 -7.167  -2.524  1.00 50.94 ? 153 HIS   B CD2 1 
ATOM   1266 C CE1 . HIS   A 1 147 ? -16.620 -5.349  -2.206  1.00 55.81 ? 153 HIS   B CE1 1 
ATOM   1267 N NE2 . HIS   A 1 147 ? -17.614 -6.094  -1.696  1.00 51.13 ? 153 HIS   B NE2 1 
ATOM   1268 N N   . GLY   A 1 148 ? -17.969 -8.863  -8.050  1.00 23.96 ? 154 GLY   B N   1 
ATOM   1269 C CA  . GLY   A 1 148 ? -17.742 -9.870  -9.105  1.00 20.00 ? 154 GLY   B CA  1 
ATOM   1270 C C   . GLY   A 1 148 ? -18.109 -11.272 -8.668  1.00 18.85 ? 154 GLY   B C   1 
ATOM   1271 O O   . GLY   A 1 148 ? -17.575 -12.210 -9.267  1.00 18.19 ? 154 GLY   B O   1 
ATOM   1272 N N   . SER   A 1 149 ? -18.945 -11.429 -7.657  1.00 18.74 ? 155 SER   B N   1 
ATOM   1273 C CA  . SER   A 1 149 ? -19.320 -12.755 -7.110  1.00 16.25 ? 155 SER   B CA  1 
ATOM   1274 C C   . SER   A 1 149 ? -20.006 -13.614 -8.181  1.00 17.39 ? 155 SER   B C   1 
ATOM   1275 O O   . SER   A 1 149 ? -20.749 -13.083 -9.027  1.00 17.27 ? 155 SER   B O   1 
ATOM   1276 C CB  . SER   A 1 149 ? -20.165 -12.615 -5.863  1.00 19.68 ? 155 SER   B CB  1 
ATOM   1277 O OG  . SER   A 1 149 ? -21.377 -11.893 -6.087  1.00 20.29 ? 155 SER   B OG  1 
ATOM   1278 N N   . LEU   A 1 150 ? -19.764 -14.914 -8.183  1.00 16.83 ? 156 LEU   B N   1 
ATOM   1279 C CA  . LEU   A 1 150 ? -20.430 -15.794 -9.176  1.00 16.07 ? 156 LEU   B CA  1 
ATOM   1280 C C   . LEU   A 1 150 ? -21.933 -15.850 -8.953  1.00 15.03 ? 156 LEU   B C   1 
ATOM   1281 O O   . LEU   A 1 150 ? -22.441 -16.079 -7.819  1.00 15.26 ? 156 LEU   B O   1 
ATOM   1282 C CB  . LEU   A 1 150 ? -19.831 -17.198 -9.073  1.00 15.91 ? 156 LEU   B CB  1 
ATOM   1283 C CG  . LEU   A 1 150 ? -20.353 -18.239 -10.060 1.00 15.96 ? 156 LEU   B CG  1 
ATOM   1284 C CD1 . LEU   A 1 150 ? -19.996 -17.943 -11.499 1.00 16.09 ? 156 LEU   B CD1 1 
ATOM   1285 C CD2 . LEU   A 1 150 ? -19.823 -19.645 -9.663  1.00 17.25 ? 156 LEU   B CD2 1 
ATOM   1286 N N   . ILE   A 1 151 ? -22.671 -15.733 -10.053 1.00 12.69 ? 157 ILE   B N   1 
ATOM   1287 C CA  . ILE   A 1 151 ? -24.132 -15.927 -10.086 1.00 14.31 ? 157 ILE   B CA  1 
ATOM   1288 C C   . ILE   A 1 151 ? -24.441 -17.351 -10.553 1.00 13.56 ? 157 ILE   B C   1 
ATOM   1289 O O   . ILE   A 1 151 ? -25.279 -18.022 -9.950  1.00 14.28 ? 157 ILE   B O   1 
ATOM   1290 C CB  . ILE   A 1 151 ? -24.816 -14.857 -10.954 1.00 14.16 ? 157 ILE   B CB  1 
ATOM   1291 C CG1 . ILE   A 1 151 ? -24.666 -13.462 -10.356 1.00 14.37 ? 157 ILE   B CG1 1 
ATOM   1292 C CG2 . ILE   A 1 151 ? -26.279 -15.207 -11.124 1.00 14.10 ? 157 ILE   B CG2 1 
ATOM   1293 C CD1 . ILE   A 1 151 ? -25.095 -12.337 -11.296 1.00 16.36 ? 157 ILE   B CD1 1 
ATOM   1294 N N   . TYR   A 1 152 ? -23.906 -17.758 -11.711 1.00 12.81 ? 158 TYR   B N   1 
ATOM   1295 C CA  . TYR   A 1 152 ? -24.289 -19.057 -12.298 1.00 11.47 ? 158 TYR   B CA  1 
ATOM   1296 C C   . TYR   A 1 152 ? -23.247 -19.443 -13.350 1.00 12.40 ? 158 TYR   B C   1 
ATOM   1297 O O   . TYR   A 1 152 ? -22.753 -18.561 -14.091 1.00 12.67 ? 158 TYR   B O   1 
ATOM   1298 C CB  . TYR   A 1 152 ? -25.663 -18.980 -13.001 1.00 12.60 ? 158 TYR   B CB  1 
ATOM   1299 C CG  . TYR   A 1 152 ? -26.201 -20.325 -13.359 1.00 12.50 ? 158 TYR   B CG  1 
ATOM   1300 C CD1 . TYR   A 1 152 ? -26.844 -21.124 -12.428 1.00 13.12 ? 158 TYR   B CD1 1 
ATOM   1301 C CD2 . TYR   A 1 152 ? -26.106 -20.816 -14.656 1.00 12.18 ? 158 TYR   B CD2 1 
ATOM   1302 C CE1 . TYR   A 1 152 ? -27.277 -22.401 -12.756 1.00 13.68 ? 158 TYR   B CE1 1 
ATOM   1303 C CE2 . TYR   A 1 152 ? -26.549 -22.086 -14.990 1.00 12.90 ? 158 TYR   B CE2 1 
ATOM   1304 C CZ  . TYR   A 1 152 ? -27.151 -22.879 -14.045 1.00 13.29 ? 158 TYR   B CZ  1 
ATOM   1305 O OH  . TYR   A 1 152 ? -27.552 -24.149 -14.313 1.00 15.21 ? 158 TYR   B OH  1 
ATOM   1306 N N   . THR   A 1 153 ? -22.999 -20.741 -13.430 1.00 12.78 ? 159 THR   B N   1 
ATOM   1307 C CA  . THR   A 1 153 ? -22.149 -21.345 -14.489 1.00 13.79 ? 159 THR   B CA  1 
ATOM   1308 C C   . THR   A 1 153 ? -22.938 -22.441 -15.190 1.00 13.52 ? 159 THR   B C   1 
ATOM   1309 O O   . THR   A 1 153 ? -23.317 -23.466 -14.582 1.00 13.71 ? 159 THR   B O   1 
ATOM   1310 C CB  . THR   A 1 153 ? -20.828 -21.907 -13.928 1.00 14.20 ? 159 THR   B CB  1 
ATOM   1311 O OG1 . THR   A 1 153 ? -20.033 -20.801 -13.521 1.00 14.52 ? 159 THR   B OG1 1 
ATOM   1312 C CG2 . THR   A 1 153 ? -20.039 -22.720 -14.936 1.00 16.03 ? 159 THR   B CG2 1 
ATOM   1313 N N   . PHE   A 1 154 ? -23.088 -22.294 -16.520 1.00 13.47 ? 160 PHE   B N   1 
ATOM   1314 C CA  . PHE   A 1 154 ? -23.492 -23.389 -17.430 1.00 13.38 ? 160 PHE   B CA  1 
ATOM   1315 C C   . PHE   A 1 154 ? -22.196 -24.084 -17.859 1.00 14.21 ? 160 PHE   B C   1 
ATOM   1316 O O   . PHE   A 1 154 ? -21.319 -23.431 -18.409 1.00 13.22 ? 160 PHE   B O   1 
ATOM   1317 C CB  . PHE   A 1 154 ? -24.164 -22.871 -18.696 1.00 13.48 ? 160 PHE   B CB  1 
ATOM   1318 C CG  . PHE   A 1 154 ? -25.525 -22.270 -18.529 1.00 11.45 ? 160 PHE   B CG  1 
ATOM   1319 C CD1 . PHE   A 1 154 ? -25.674 -20.905 -18.263 1.00 11.10 ? 160 PHE   B CD1 1 
ATOM   1320 C CD2 . PHE   A 1 154 ? -26.649 -23.027 -18.764 1.00 12.33 ? 160 PHE   B CD2 1 
ATOM   1321 C CE1 . PHE   A 1 154 ? -26.951 -20.364 -18.167 1.00 11.53 ? 160 PHE   B CE1 1 
ATOM   1322 C CE2 . PHE   A 1 154 ? -27.923 -22.480 -18.643 1.00 11.73 ? 160 PHE   B CE2 1 
ATOM   1323 C CZ  . PHE   A 1 154 ? -28.056 -21.140 -18.358 1.00 11.36 ? 160 PHE   B CZ  1 
ATOM   1324 N N   . SER   A 1 155 ? -22.101 -25.384 -17.591 1.00 15.44 ? 161 SER   B N   1 
ATOM   1325 C CA  . SER   A 1 155 ? -20.960 -26.165 -18.073 1.00 17.45 ? 161 SER   B CA  1 
ATOM   1326 C C   . SER   A 1 155 ? -21.445 -27.335 -18.935 1.00 17.58 ? 161 SER   B C   1 
ATOM   1327 O O   . SER   A 1 155 ? -22.663 -27.606 -19.046 1.00 18.71 ? 161 SER   B O   1 
ATOM   1328 C CB  . SER   A 1 155 ? -20.116 -26.567 -16.898 1.00 19.85 ? 161 SER   B CB  1 
ATOM   1329 O OG  . SER   A 1 155 ? -20.720 -27.595 -16.158 1.00 21.86 ? 161 SER   B OG  1 
ATOM   1330 N N   . GLU   A 1 156 ? -20.492 -27.974 -19.606 1.00 19.19 ? 162 GLU   B N   1 
ATOM   1331 C CA  . GLU   A 1 156 ? -20.812 -29.037 -20.603 1.00 20.62 ? 162 GLU   B CA  1 
ATOM   1332 C C   . GLU   A 1 156 ? -21.773 -28.470 -21.664 1.00 20.80 ? 162 GLU   B C   1 
ATOM   1333 O O   . GLU   A 1 156 ? -22.686 -29.237 -22.108 1.00 21.29 ? 162 GLU   B O   1 
ATOM   1334 C CB  . GLU   A 1 156 ? -21.469 -30.246 -19.941 1.00 24.94 ? 162 GLU   B CB  1 
ATOM   1335 C CG  . GLU   A 1 156 ? -20.811 -30.737 -18.664 1.00 30.68 ? 162 GLU   B CG  1 
ATOM   1336 C CD  . GLU   A 1 156 ? -21.506 -32.011 -18.216 1.00 39.88 ? 162 GLU   B CD  1 
ATOM   1337 O OE1 . GLU   A 1 156 ? -22.281 -31.968 -17.244 1.00 45.72 ? 162 GLU   B OE1 1 
ATOM   1338 O OE2 . GLU   A 1 156 ? -21.331 -33.035 -18.903 1.00 46.48 ? 162 GLU   B OE2 1 
ATOM   1339 N N   . CYS   A 1 157 ? -21.595 -27.198 -22.063 1.00 17.36 ? 163 CYS   B N   1 
ATOM   1340 C CA  . CYS   A 1 157 ? -22.488 -26.558 -23.051 1.00 16.76 ? 163 CYS   B CA  1 
ATOM   1341 C C   . CYS   A 1 157 ? -22.234 -27.199 -24.418 1.00 18.46 ? 163 CYS   B C   1 
ATOM   1342 O O   . CYS   A 1 157 ? -21.019 -27.425 -24.762 1.00 20.55 ? 163 CYS   B O   1 
ATOM   1343 C CB  . CYS   A 1 157 ? -22.298 -25.057 -23.211 1.00 16.63 ? 163 CYS   B CB  1 
ATOM   1344 S SG  . CYS   A 1 157 ? -22.666 -24.177 -21.665 1.00 16.39 ? 163 CYS   B SG  1 
ATOM   1345 N N   . VAL   A 1 158 ? -23.309 -27.455 -25.153 1.00 18.19 ? 164 VAL   B N   1 
ATOM   1346 C CA  . VAL   A 1 158 ? -23.213 -27.939 -26.554 1.00 19.12 ? 164 VAL   B CA  1 
ATOM   1347 C C   . VAL   A 1 158 ? -23.618 -26.770 -27.468 1.00 16.72 ? 164 VAL   B C   1 
ATOM   1348 O O   . VAL   A 1 158 ? -24.789 -26.610 -27.877 1.00 18.75 ? 164 VAL   B O   1 
ATOM   1349 C CB  . VAL   A 1 158 ? -23.976 -29.271 -26.713 1.00 22.32 ? 164 VAL   B CB  1 
ATOM   1350 C CG1 . VAL   A 1 158 ? -23.864 -29.761 -28.158 1.00 24.10 ? 164 VAL   B CG1 1 
ATOM   1351 C CG2 . VAL   A 1 158 ? -23.430 -30.325 -25.759 1.00 23.48 ? 164 VAL   B CG2 1 
ATOM   1352 N N   . PHE   A 1 159 ? -22.671 -25.889 -27.786 1.00 15.90 ? 165 PHE   B N   1 
ATOM   1353 C CA  . PHE   A 1 159 ? -22.955 -24.619 -28.512 1.00 16.35 ? 165 PHE   B CA  1 
ATOM   1354 C C   . PHE   A 1 159 ? -23.495 -24.976 -29.897 1.00 20.22 ? 165 PHE   B C   1 
ATOM   1355 O O   . PHE   A 1 159 ? -24.495 -24.407 -30.326 1.00 18.83 ? 165 PHE   B O   1 
ATOM   1356 C CB  . PHE   A 1 159 ? -21.739 -23.711 -28.517 1.00 16.07 ? 165 PHE   B CB  1 
ATOM   1357 C CG  . PHE   A 1 159 ? -21.321 -23.232 -27.141 1.00 15.07 ? 165 PHE   B CG  1 
ATOM   1358 C CD1 . PHE   A 1 159 ? -22.265 -22.707 -26.270 1.00 15.58 ? 165 PHE   B CD1 1 
ATOM   1359 C CD2 . PHE   A 1 159 ? -19.987 -23.224 -26.750 1.00 15.93 ? 165 PHE   B CD2 1 
ATOM   1360 C CE1 . PHE   A 1 159 ? -21.899 -22.244 -25.013 1.00 14.93 ? 165 PHE   B CE1 1 
ATOM   1361 C CE2 . PHE   A 1 159 ? -19.610 -22.764 -25.491 1.00 16.91 ? 165 PHE   B CE2 1 
ATOM   1362 C CZ  . PHE   A 1 159 ? -20.571 -22.265 -24.632 1.00 15.24 ? 165 PHE   B CZ  1 
ATOM   1363 N N   . ALA   A 1 160 ? -22.858 -25.926 -30.570 1.00 16.94 ? 166 ALA   B N   1 
ATOM   1364 C CA  . ALA   A 1 160 ? -23.319 -26.472 -31.865 1.00 18.26 ? 166 ALA   B CA  1 
ATOM   1365 C C   . ALA   A 1 160 ? -23.362 -25.398 -32.949 1.00 17.94 ? 166 ALA   B C   1 
ATOM   1366 O O   . ALA   A 1 160 ? -24.158 -25.572 -33.925 1.00 19.12 ? 166 ALA   B O   1 
ATOM   1367 C CB  . ALA   A 1 160 ? -24.629 -27.161 -31.684 1.00 18.31 ? 166 ALA   B CB  1 
ATOM   1368 N N   . GLY   A 1 161 ? -22.563 -24.353 -32.853 1.00 18.57 ? 167 GLY   B N   1 
ATOM   1369 C CA  . GLY   A 1 161 ? -22.507 -23.289 -33.871 1.00 20.02 ? 167 GLY   B CA  1 
ATOM   1370 C C   . GLY   A 1 161 ? -21.931 -21.997 -33.338 1.00 18.11 ? 167 GLY   B C   1 
ATOM   1371 O O   . GLY   A 1 161 ? -21.528 -21.928 -32.151 1.00 16.69 ? 167 GLY   B O   1 
ATOM   1372 N N   . PRO   A 1 162 ? -21.844 -20.971 -34.183 1.00 15.66 ? 168 PRO   B N   1 
ATOM   1373 C CA  . PRO   A 1 162 ? -21.403 -19.666 -33.741 1.00 14.98 ? 168 PRO   B CA  1 
ATOM   1374 C C   . PRO   A 1 162 ? -22.384 -19.116 -32.692 1.00 14.81 ? 168 PRO   B C   1 
ATOM   1375 O O   . PRO   A 1 162 ? -23.581 -19.403 -32.731 1.00 15.20 ? 168 PRO   B O   1 
ATOM   1376 C CB  . PRO   A 1 162 ? -21.389 -18.769 -34.967 1.00 15.56 ? 168 PRO   B CB  1 
ATOM   1377 C CG  . PRO   A 1 162 ? -21.527 -19.743 -36.150 1.00 15.59 ? 168 PRO   B CG  1 
ATOM   1378 C CD  . PRO   A 1 162 ? -22.198 -20.976 -35.621 1.00 15.16 ? 168 PRO   B CD  1 
ATOM   1379 N N   . LEU   A 1 163 ? -21.828 -18.373 -31.747 1.00 15.34 ? 169 LEU   B N   1 
ATOM   1380 C CA  . LEU   A 1 163 ? -22.620 -17.754 -30.641 1.00 14.52 ? 169 LEU   B CA  1 
ATOM   1381 C C   . LEU   A 1 163 ? -22.728 -16.254 -30.863 1.00 15.36 ? 169 LEU   B C   1 
ATOM   1382 O O   . LEU   A 1 163 ? -21.780 -15.617 -31.357 1.00 15.38 ? 169 LEU   B O   1 
ATOM   1383 C CB  . LEU   A 1 163 ? -21.928 -18.000 -29.297 1.00 14.13 ? 169 LEU   B CB  1 
ATOM   1384 C CG  . LEU   A 1 163 ? -21.906 -19.436 -28.770 1.00 14.85 ? 169 LEU   B CG  1 
ATOM   1385 C CD1 . LEU   A 1 163 ? -21.124 -19.498 -27.489 1.00 14.86 ? 169 LEU   B CD1 1 
ATOM   1386 C CD2 . LEU   A 1 163 ? -23.323 -19.969 -28.569 1.00 15.83 ? 169 LEU   B CD2 1 
ATOM   1387 N N   . ARG   A 1 164 ? -23.853 -15.683 -30.428 1.00 14.23 ? 170 ARG   B N   1 
ATOM   1388 C CA  . ARG   A 1 164 ? -24.086 -14.233 -30.447 1.00 14.23 ? 170 ARG   B CA  1 
ATOM   1389 C C   . ARG   A 1 164 ? -24.515 -13.771 -29.063 1.00 13.24 ? 170 ARG   B C   1 
ATOM   1390 O O   . ARG   A 1 164 ? -25.271 -14.461 -28.392 1.00 13.46 ? 170 ARG   B O   1 
ATOM   1391 C CB  . ARG   A 1 164 ? -25.148 -13.898 -31.492 1.00 15.82 ? 170 ARG   B CB  1 
ATOM   1392 C CG  . ARG   A 1 164 ? -24.631 -14.287 -32.878 1.00 18.05 ? 170 ARG   B CG  1 
ATOM   1393 C CD  . ARG   A 1 164 ? -25.503 -13.904 -34.007 1.00 20.47 ? 170 ARG   B CD  1 
ATOM   1394 N NE  . ARG   A 1 164 ? -25.541 -12.462 -34.102 1.00 19.22 ? 170 ARG   B NE  1 
ATOM   1395 C CZ  . ARG   A 1 164 ? -26.252 -11.817 -35.013 1.00 19.67 ? 170 ARG   B CZ  1 
ATOM   1396 N NH1 . ARG   A 1 164 ? -26.869 -12.512 -35.946 1.00 19.50 ? 170 ARG   B NH1 1 
ATOM   1397 N NH2 . ARG   A 1 164 ? -26.272 -10.495 -35.016 1.00 17.31 ? 170 ARG   B NH2 1 
ATOM   1398 N N   . PRO   A 1 165 ? -24.047 -12.583 -28.617 1.00 12.99 ? 171 PRO   B N   1 
ATOM   1399 C CA  . PRO   A 1 165 ? -24.569 -11.983 -27.377 1.00 12.79 ? 171 PRO   B CA  1 
ATOM   1400 C C   . PRO   A 1 165 ? -26.088 -11.822 -27.524 1.00 12.10 ? 171 PRO   B C   1 
ATOM   1401 O O   . PRO   A 1 165 ? -26.568 -11.469 -28.600 1.00 12.32 ? 171 PRO   B O   1 
ATOM   1402 C CB  . PRO   A 1 165 ? -23.878 -10.621 -27.270 1.00 13.21 ? 171 PRO   B CB  1 
ATOM   1403 C CG  . PRO   A 1 165 ? -22.606 -10.834 -28.093 1.00 14.23 ? 171 PRO   B CG  1 
ATOM   1404 C CD  . PRO   A 1 165 ? -23.034 -11.716 -29.246 1.00 14.74 ? 171 PRO   B CD  1 
ATOM   1405 N N   . PHE   A 1 166 ? -26.837 -12.103 -26.461 1.00 11.63 ? 172 PHE   B N   1 
ATOM   1406 C CA  . PHE   A 1 166 ? -28.312 -12.139 -26.465 1.00 11.84 ? 172 PHE   B CA  1 
ATOM   1407 C C   . PHE   A 1 166 ? -28.834 -11.191 -25.380 1.00 11.49 ? 172 PHE   B C   1 
ATOM   1408 O O   . PHE   A 1 166 ? -28.339 -11.210 -24.218 1.00 11.15 ? 172 PHE   B O   1 
ATOM   1409 C CB  . PHE   A 1 166 ? -28.798 -13.557 -26.202 1.00 11.92 ? 172 PHE   B CB  1 
ATOM   1410 C CG  . PHE   A 1 166 ? -30.295 -13.658 -26.024 1.00 12.49 ? 172 PHE   B CG  1 
ATOM   1411 C CD1 . PHE   A 1 166 ? -31.147 -13.681 -27.123 1.00 12.20 ? 172 PHE   B CD1 1 
ATOM   1412 C CD2 . PHE   A 1 166 ? -30.862 -13.674 -24.764 1.00 12.43 ? 172 PHE   B CD2 1 
ATOM   1413 C CE1 . PHE   A 1 166 ? -32.525 -13.743 -26.958 1.00 13.61 ? 172 PHE   B CE1 1 
ATOM   1414 C CE2 . PHE   A 1 166 ? -32.236 -13.741 -24.607 1.00 12.32 ? 172 PHE   B CE2 1 
ATOM   1415 C CZ  . PHE   A 1 166 ? -33.058 -13.776 -25.693 1.00 12.97 ? 172 PHE   B CZ  1 
ATOM   1416 N N   . PHE   A 1 167 ? -29.916 -10.459 -25.696 1.00 11.73 ? 173 PHE   B N   1 
ATOM   1417 C CA  . PHE   A 1 167 ? -30.514 -9.433  -24.819 1.00 11.58 ? 173 PHE   B CA  1 
ATOM   1418 C C   . PHE   A 1 167 ? -32.033 -9.509  -24.934 1.00 11.68 ? 173 PHE   B C   1 
ATOM   1419 O O   . PHE   A 1 167 ? -32.527 -9.546  -26.048 1.00 12.02 ? 173 PHE   B O   1 
ATOM   1420 C CB  . PHE   A 1 167 ? -30.062 -8.015  -25.209 1.00 11.99 ? 173 PHE   B CB  1 
ATOM   1421 C CG  . PHE   A 1 167 ? -28.550 -7.864  -25.305 1.00 11.55 ? 173 PHE   B CG  1 
ATOM   1422 C CD1 . PHE   A 1 167 ? -27.893 -8.174  -26.487 1.00 12.35 ? 173 PHE   B CD1 1 
ATOM   1423 C CD2 . PHE   A 1 167 ? -27.782 -7.417  -24.228 1.00 12.87 ? 173 PHE   B CD2 1 
ATOM   1424 C CE1 . PHE   A 1 167 ? -26.502 -8.099  -26.588 1.00 12.41 ? 173 PHE   B CE1 1 
ATOM   1425 C CE2 . PHE   A 1 167 ? -26.407 -7.273  -24.353 1.00 13.56 ? 173 PHE   B CE2 1 
ATOM   1426 C CZ  . PHE   A 1 167 ? -25.773 -7.642  -25.531 1.00 13.48 ? 173 PHE   B CZ  1 
ATOM   1427 N N   . ASN   A 1 168 ? -32.710 -9.324  -23.811 1.00 11.86 ? 174 ASN   B N   1 
ATOM   1428 C CA  . ASN   A 1 168 ? -34.172 -9.077  -23.768 1.00 11.15 ? 174 ASN   B CA  1 
ATOM   1429 C C   . ASN   A 1 168 ? -34.407 -7.946  -22.768 1.00 11.49 ? 174 ASN   B C   1 
ATOM   1430 O O   . ASN   A 1 168 ? -34.086 -8.119  -21.586 1.00 12.90 ? 174 ASN   B O   1 
ATOM   1431 C CB  . ASN   A 1 168 ? -34.956 -10.323 -23.357 1.00 11.49 ? 174 ASN   B CB  1 
ATOM   1432 C CG  . ASN   A 1 168 ? -36.461 -10.149 -23.431 1.00 12.99 ? 174 ASN   B CG  1 
ATOM   1433 O OD1 . ASN   A 1 168 ? -36.977 -9.076  -23.695 1.00 13.45 ? 174 ASN   B OD1 1 
ATOM   1434 N ND2 . ASN   A 1 168 ? -37.160 -11.251 -23.260 1.00 14.42 ? 174 ASN   B ND2 1 
ATOM   1435 N N   . VAL   A 1 169 ? -34.935 -6.802  -23.240 1.00 11.69 ? 175 VAL   B N   1 
ATOM   1436 C CA  . VAL   A 1 169 ? -35.174 -5.623  -22.348 1.00 11.80 ? 175 VAL   B CA  1 
ATOM   1437 C C   . VAL   A 1 169 ? -36.441 -5.858  -21.504 1.00 13.04 ? 175 VAL   B C   1 
ATOM   1438 O O   . VAL   A 1 169 ? -36.692 -5.035  -20.586 1.00 12.52 ? 175 VAL   B O   1 
ATOM   1439 C CB  . VAL   A 1 169 ? -35.243 -4.283  -23.112 1.00 13.61 ? 175 VAL   B CB  1 
ATOM   1440 C CG1 . VAL   A 1 169 ? -33.915 -3.972  -23.759 1.00 13.65 ? 175 VAL   B CG1 1 
ATOM   1441 C CG2 . VAL   A 1 169 ? -36.397 -4.244  -24.117 1.00 13.48 ? 175 VAL   B CG2 1 
ATOM   1442 N N   . GLY   A 1 170 ? -37.248 -6.870  -21.852 1.00 12.86 ? 176 GLY   B N   1 
ATOM   1443 C CA  . GLY   A 1 170 ? -38.532 -7.133  -21.172 1.00 14.55 ? 176 GLY   B CA  1 
ATOM   1444 C C   . GLY   A 1 170 ? -39.646 -6.193  -21.576 1.00 13.56 ? 176 GLY   B C   1 
ATOM   1445 O O   . GLY   A 1 170 ? -39.433 -5.174  -22.212 1.00 12.87 ? 176 GLY   B O   1 
ATOM   1446 N N   . PHE   A 1 171 ? -40.874 -6.607  -21.287 1.00 14.37 ? 177 PHE   B N   1 
ATOM   1447 C CA  . PHE   A 1 171 ? -42.083 -5.781  -21.514 1.00 14.13 ? 177 PHE   B CA  1 
ATOM   1448 C C   . PHE   A 1 171 ? -42.110 -4.677  -20.480 1.00 13.12 ? 177 PHE   B C   1 
ATOM   1449 O O   . PHE   A 1 171 ? -41.425 -4.737  -19.465 1.00 12.84 ? 177 PHE   B O   1 
ATOM   1450 C CB  . PHE   A 1 171 ? -43.352 -6.642  -21.572 1.00 14.53 ? 177 PHE   B CB  1 
ATOM   1451 C CG  . PHE   A 1 171 ? -43.426 -7.572  -22.762 1.00 14.03 ? 177 PHE   B CG  1 
ATOM   1452 C CD1 . PHE   A 1 171 ? -43.882 -7.137  -24.004 1.00 16.52 ? 177 PHE   B CD1 1 
ATOM   1453 C CD2 . PHE   A 1 171 ? -43.118 -8.918  -22.626 1.00 16.27 ? 177 PHE   B CD2 1 
ATOM   1454 C CE1 . PHE   A 1 171 ? -43.936 -8.003  -25.101 1.00 16.88 ? 177 PHE   B CE1 1 
ATOM   1455 C CE2 . PHE   A 1 171 ? -43.178 -9.764  -23.723 1.00 16.61 ? 177 PHE   B CE2 1 
ATOM   1456 C CZ  . PHE   A 1 171 ? -43.643 -9.325  -24.928 1.00 16.73 ? 177 PHE   B CZ  1 
ATOM   1457 N N   . ASN   A 1 172 ? -43.001 -3.727  -20.702 1.00 13.78 ? 178 ASN   B N   1 
ATOM   1458 C CA  . ASN   A 1 172 ? -43.200 -2.626  -19.724 1.00 13.52 ? 178 ASN   B CA  1 
ATOM   1459 C C   . ASN   A 1 172 ? -44.721 -2.455  -19.519 1.00 13.62 ? 178 ASN   B C   1 
ATOM   1460 O O   . ASN   A 1 172 ? -45.241 -1.308  -19.610 1.00 15.50 ? 178 ASN   B O   1 
ATOM   1461 C CB  . ASN   A 1 172 ? -42.508 -1.368  -20.204 1.00 14.52 ? 178 ASN   B CB  1 
ATOM   1462 C CG  . ASN   A 1 172 ? -42.578 -0.253  -19.191 1.00 14.17 ? 178 ASN   B CG  1 
ATOM   1463 O OD1 . ASN   A 1 172 ? -42.631 -0.498  -17.992 1.00 13.82 ? 178 ASN   B OD1 1 
ATOM   1464 N ND2 . ASN   A 1 172 ? -42.602 0.987   -19.675 1.00 15.48 ? 178 ASN   B ND2 1 
ATOM   1465 N N   . TYR   A 1 173 ? -45.398 -3.502  -19.131 1.00 13.91 ? 179 TYR   B N   1 
ATOM   1466 C CA  . TYR   A 1 173 ? -46.850 -3.419  -18.788 1.00 14.15 ? 179 TYR   B CA  1 
ATOM   1467 C C   . TYR   A 1 173 ? -47.038 -2.602  -17.512 1.00 15.69 ? 179 TYR   B C   1 
ATOM   1468 O O   . TYR   A 1 173 ? -48.104 -1.961  -17.318 1.00 16.24 ? 179 TYR   B O   1 
ATOM   1469 C CB  . TYR   A 1 173 ? -47.441 -4.820  -18.620 1.00 14.56 ? 179 TYR   B CB  1 
ATOM   1470 C CG  . TYR   A 1 173 ? -47.477 -5.676  -19.860 1.00 17.15 ? 179 TYR   B CG  1 
ATOM   1471 C CD1 . TYR   A 1 173 ? -48.387 -5.432  -20.870 1.00 20.24 ? 179 TYR   B CD1 1 
ATOM   1472 C CD2 . TYR   A 1 173 ? -46.640 -6.777  -19.975 1.00 21.34 ? 179 TYR   B CD2 1 
ATOM   1473 C CE1 . TYR   A 1 173 ? -48.384 -6.178  -22.043 1.00 21.75 ? 179 TYR   B CE1 1 
ATOM   1474 C CE2 . TYR   A 1 173 ? -46.648 -7.547  -21.137 1.00 21.29 ? 179 TYR   B CE2 1 
ATOM   1475 C CZ  . TYR   A 1 173 ? -47.549 -7.270  -22.145 1.00 21.45 ? 179 TYR   B CZ  1 
ATOM   1476 O OH  . TYR   A 1 173 ? -47.568 -8.065  -23.267 1.00 25.43 ? 179 TYR   B OH  1 
ATOM   1477 N N   . SER   A 1 174 ? -46.067 -2.634  -16.610 1.00 13.87 ? 180 SER   B N   1 
ATOM   1478 C CA  . SER   A 1 174 ? -46.142 -2.041  -15.249 1.00 14.49 ? 180 SER   B CA  1 
ATOM   1479 C C   . SER   A 1 174 ? -45.847 -0.541  -15.299 1.00 15.18 ? 180 SER   B C   1 
ATOM   1480 O O   . SER   A 1 174 ? -46.089 0.100   -14.252 1.00 17.32 ? 180 SER   B O   1 
ATOM   1481 C CB  . SER   A 1 174 ? -45.179 -2.672  -14.303 1.00 15.00 ? 180 SER   B CB  1 
ATOM   1482 O OG  . SER   A 1 174 ? -43.836 -2.427  -14.713 1.00 15.74 ? 180 SER   B OG  1 
ATOM   1483 N N   . GLY   A 1 175 ? -45.190 -0.036  -16.335 1.00 13.14 ? 181 GLY   B N   1 
ATOM   1484 C CA  . GLY   A 1 175 ? -44.662 1.336   -16.285 1.00 13.67 ? 181 GLY   B CA  1 
ATOM   1485 C C   . GLY   A 1 175 ? -43.412 1.477   -15.442 1.00 14.19 ? 181 GLY   B C   1 
ATOM   1486 O O   . GLY   A 1 175 ? -42.922 2.605   -15.331 1.00 16.90 ? 181 GLY   B O   1 
ATOM   1487 N N   . GLY   A 1 176 ? -42.886 0.380   -14.872 1.00 13.67 ? 182 GLY   B N   1 
ATOM   1488 C CA  . GLY   A 1 176 ? -41.666 0.387   -14.064 1.00 14.27 ? 182 GLY   B CA  1 
ATOM   1489 C C   . GLY   A 1 176 ? -40.456 -0.246  -14.747 1.00 15.25 ? 182 GLY   B C   1 
ATOM   1490 O O   . GLY   A 1 176 ? -39.399 -0.313  -14.070 1.00 16.35 ? 182 GLY   B O   1 
ATOM   1491 N N   . ASN   A 1 177 ? -40.578 -0.648  -16.010 1.00 13.18 ? 183 ASN   B N   1 
ATOM   1492 C CA  . ASN   A 1 177 ? -39.469 -1.342  -16.698 1.00 13.27 ? 183 ASN   B CA  1 
ATOM   1493 C C   . ASN   A 1 177 ? -39.005 -0.656  -17.989 1.00 13.84 ? 183 ASN   B C   1 
ATOM   1494 O O   . ASN   A 1 177 ? -38.473 -1.335  -18.877 1.00 14.74 ? 183 ASN   B O   1 
ATOM   1495 C CB  . ASN   A 1 177 ? -39.846 -2.791  -16.989 1.00 13.04 ? 183 ASN   B CB  1 
ATOM   1496 C CG  . ASN   A 1 177 ? -38.638 -3.643  -17.300 1.00 13.34 ? 183 ASN   B CG  1 
ATOM   1497 O OD1 . ASN   A 1 177 ? -37.611 -3.482  -16.664 1.00 13.15 ? 183 ASN   B OD1 1 
ATOM   1498 N ND2 . ASN   A 1 177 ? -38.776 -4.568  -18.237 1.00 12.96 ? 183 ASN   B ND2 1 
ATOM   1499 N N   . ALA   A 1 178 ? -39.114 0.659   -18.094 1.00 13.65 ? 184 ALA   B N   1 
ATOM   1500 C CA  . ALA   A 1 178 ? -38.709 1.357   -19.333 1.00 15.10 ? 184 ALA   B CA  1 
ATOM   1501 C C   . ALA   A 1 178 ? -37.190 1.506   -19.455 1.00 14.25 ? 184 ALA   B C   1 
ATOM   1502 O O   . ALA   A 1 178 ? -36.751 1.804   -20.585 1.00 16.83 ? 184 ALA   B O   1 
ATOM   1503 C CB  . ALA   A 1 178 ? -39.347 2.741   -19.343 1.00 15.22 ? 184 ALA   B CB  1 
ATOM   1504 N N   . ALA   A 1 179 ? -36.443 1.366   -18.365 1.00 14.72 ? 185 ALA   B N   1 
ATOM   1505 C CA  . ALA   A 1 179 ? -34.992 1.673   -18.400 1.00 14.76 ? 185 ALA   B CA  1 
ATOM   1506 C C   . ALA   A 1 179 ? -34.278 0.777   -19.416 1.00 14.78 ? 185 ALA   B C   1 
ATOM   1507 O O   . ALA   A 1 179 ? -34.665 -0.371  -19.666 1.00 14.08 ? 185 ALA   B O   1 
ATOM   1508 C CB  . ALA   A 1 179 ? -34.364 1.532   -17.059 1.00 14.47 ? 185 ALA   B CB  1 
ATOM   1509 N N   . PRO   A 1 180 ? -33.193 1.286   -20.040 1.00 15.02 ? 186 PRO   B N   1 
ATOM   1510 C CA  . PRO   A 1 180 ? -32.440 0.523   -21.033 1.00 15.11 ? 186 PRO   B CA  1 
ATOM   1511 C C   . PRO   A 1 180 ? -31.530 -0.564  -20.431 1.00 13.81 ? 186 PRO   B C   1 
ATOM   1512 O O   . PRO   A 1 180 ? -31.207 -0.516  -19.235 1.00 14.37 ? 186 PRO   B O   1 
ATOM   1513 C CB  . PRO   A 1 180 ? -31.565 1.607   -21.692 1.00 16.47 ? 186 PRO   B CB  1 
ATOM   1514 C CG  . PRO   A 1 180 ? -31.347 2.636   -20.609 1.00 17.70 ? 186 PRO   B CG  1 
ATOM   1515 C CD  . PRO   A 1 180 ? -32.665 2.647   -19.837 1.00 17.18 ? 186 PRO   B CD  1 
ATOM   1516 N N   . LEU   A 1 181 ? -31.142 -1.521  -21.276 1.00 13.90 ? 187 LEU   B N   1 
ATOM   1517 C CA  . LEU   A 1 181 ? -29.907 -2.312  -21.097 1.00 13.63 ? 187 LEU   B CA  1 
ATOM   1518 C C   . LEU   A 1 181 ? -28.767 -1.502  -21.732 1.00 15.16 ? 187 LEU   B C   1 
ATOM   1519 O O   . LEU   A 1 181 ? -28.950 -1.037  -22.902 1.00 15.83 ? 187 LEU   B O   1 
ATOM   1520 C CB  . LEU   A 1 181 ? -30.083 -3.675  -21.756 1.00 13.98 ? 187 LEU   B CB  1 
ATOM   1521 C CG  . LEU   A 1 181 ? -31.103 -4.630  -21.123 1.00 14.59 ? 187 LEU   B CG  1 
ATOM   1522 C CD1 . LEU   A 1 181 ? -31.226 -5.920  -21.913 1.00 15.07 ? 187 LEU   B CD1 1 
ATOM   1523 C CD2 . LEU   A 1 181 ? -30.745 -4.973  -19.688 1.00 16.85 ? 187 LEU   B CD2 1 
ATOM   1524 N N   . LYS   A 1 182 ? -27.621 -1.408  -21.059 1.00 15.15 ? 188 LYS   B N   1 
ATOM   1525 C CA  . LYS   A 1 182 ? -26.462 -0.652  -21.615 1.00 15.42 ? 188 LYS   B CA  1 
ATOM   1526 C C   . LYS   A 1 182 ? -25.240 -1.539  -21.573 1.00 15.77 ? 188 LYS   B C   1 
ATOM   1527 O O   . LYS   A 1 182 ? -24.913 -2.036  -20.478 1.00 17.04 ? 188 LYS   B O   1 
ATOM   1528 C CB  . LYS   A 1 182 ? -26.195 0.629   -20.813 1.00 17.42 ? 188 LYS   B CB  1 
ATOM   1529 C CG  . LYS   A 1 182 ? -27.398 1.526   -20.615 1.00 20.16 ? 188 LYS   B CG  1 
ATOM   1530 C CD  . LYS   A 1 182 ? -26.996 2.867   -20.011 1.00 24.14 ? 188 LYS   B CD  1 
ATOM   1531 C CE  . LYS   A 1 182 ? -28.141 3.745   -19.578 1.00 29.79 ? 188 LYS   B CE  1 
ATOM   1532 N NZ  . LYS   A 1 182 ? -27.666 4.888   -18.748 1.00 34.22 ? 188 LYS   B NZ  1 
ATOM   1533 N N   . LEU   A 1 183 ? -24.514 -1.605  -22.667 1.00 15.92 ? 189 LEU   B N   1 
ATOM   1534 C CA  . LEU   A 1 183 ? -23.172 -2.245  -22.665 1.00 15.77 ? 189 LEU   B CA  1 
ATOM   1535 C C   . LEU   A 1 183 ? -22.188 -1.292  -21.989 1.00 18.07 ? 189 LEU   B C   1 
ATOM   1536 O O   . LEU   A 1 183 ? -22.055 -0.158  -22.470 1.00 22.35 ? 189 LEU   B O   1 
ATOM   1537 C CB  . LEU   A 1 183 ? -22.813 -2.620  -24.101 1.00 15.86 ? 189 LEU   B CB  1 
ATOM   1538 C CG  . LEU   A 1 183 ? -23.544 -3.883  -24.544 1.00 16.40 ? 189 LEU   B CG  1 
ATOM   1539 C CD1 . LEU   A 1 183 ? -23.766 -3.959  -26.041 1.00 20.51 ? 189 LEU   B CD1 1 
ATOM   1540 C CD2 . LEU   A 1 183 ? -22.875 -5.143  -23.977 1.00 15.62 ? 189 LEU   B CD2 1 
ATOM   1541 N N   . CYS   A 1 184 ? -21.575 -1.728  -20.890 1.00 19.12 ? 190 CYS   B N   1 
ATOM   1542 C CA  . CYS   A 1 184 ? -20.649 -0.885  -20.063 1.00 22.30 ? 190 CYS   B CA  1 
ATOM   1543 C C   . CYS   A 1 184 ? -19.284 -0.783  -20.708 1.00 23.64 ? 190 CYS   B C   1 
ATOM   1544 O O   . CYS   A 1 184 ? -18.793 -1.718  -21.311 1.00 22.46 ? 190 CYS   B O   1 
ATOM   1545 C CB  . CYS   A 1 184 ? -20.330 -1.497  -18.721 1.00 24.54 ? 190 CYS   B CB  1 
ATOM   1546 S SG  . CYS   A 1 184 ? -21.784 -2.037  -17.831 1.00 25.10 ? 190 CYS   B SG  1 
ATOM   1547 N N   . PRO   A 1 185 ? -18.616 0.371   -20.566 1.00 29.10 ? 191 PRO   B N   1 
ATOM   1548 C CA  . PRO   A 1 185 ? -17.284 0.541   -21.107 1.00 32.49 ? 191 PRO   B CA  1 
ATOM   1549 C C   . PRO   A 1 185 ? -16.297 -0.394  -20.408 1.00 32.62 ? 191 PRO   B C   1 
ATOM   1550 O O   . PRO   A 1 185 ? -16.487 -0.694  -19.231 1.00 34.26 ? 191 PRO   B O   1 
ATOM   1551 C CB  . PRO   A 1 185 ? -16.995 2.036   -20.861 1.00 32.93 ? 191 PRO   B CB  1 
ATOM   1552 C CG  . PRO   A 1 185 ? -17.907 2.437   -19.728 1.00 32.90 ? 191 PRO   B CG  1 
ATOM   1553 C CD  . PRO   A 1 185 ? -19.138 1.577   -19.900 1.00 31.36 ? 191 PRO   B CD  1 
ATOM   1554 N N   . LEU   A 1 186 ? -15.318 -0.830  -21.200 1.00 38.62 ? 192 LEU   B N   1 
ATOM   1555 C CA  . LEU   A 1 186 ? -14.080 -1.575  -20.852 1.00 41.51 ? 192 LEU   B CA  1 
ATOM   1556 C C   . LEU   A 1 186 ? -13.176 -0.708  -19.978 1.00 45.70 ? 192 LEU   B C   1 
ATOM   1557 O O   . LEU   A 1 186 ? -12.475 -1.321  -19.163 1.00 51.85 ? 192 LEU   B O   1 
ATOM   1558 C CB  . LEU   A 1 186 ? -13.369 -1.941  -22.161 1.00 43.20 ? 192 LEU   B CB  1 
HETATM 1559 N N1  . A1BFR B 2 .   ? -46.587 -5.641  -26.968 0.58 23.29 ? 301 A1BFR B N1  1 
HETATM 1560 C C4  . A1BFR B 2 .   ? -44.974 -5.694  -29.433 0.58 21.15 ? 301 A1BFR B C4  1 
HETATM 1561 C C5  . A1BFR B 2 .   ? -43.548 -6.097  -29.685 0.58 20.31 ? 301 A1BFR B C5  1 
HETATM 1562 C C6  . A1BFR B 2 .   ? -43.979 -8.395  -29.422 0.58 19.79 ? 301 A1BFR B C6  1 
HETATM 1563 C C7  . A1BFR B 2 .   ? -45.466 -8.210  -29.181 0.58 21.40 ? 301 A1BFR B C7  1 
HETATM 1564 C C8  . A1BFR B 2 .   ? -45.917 -9.236  -28.103 0.58 22.60 ? 301 A1BFR B C8  1 
HETATM 1565 C C10 . A1BFR B 2 .   ? -46.289 -8.640  -30.406 0.58 23.46 ? 301 A1BFR B C10 1 
HETATM 1566 C C1  . A1BFR B 2 .   ? -47.110 -5.980  -25.640 0.58 24.41 ? 301 A1BFR B C1  1 
HETATM 1567 C C2  . A1BFR B 2 .   ? -45.970 -4.318  -27.057 0.58 24.41 ? 301 A1BFR B C2  1 
HETATM 1568 C C3  . A1BFR B 2 .   ? -46.743 -6.515  -27.941 0.58 22.43 ? 301 A1BFR B C3  1 
HETATM 1569 C C9  . A1BFR B 2 .   ? -46.936 -10.098 -28.803 0.58 22.98 ? 301 A1BFR B C9  1 
HETATM 1570 N N2  . A1BFR B 2 .   ? -45.739 -6.779  -28.799 0.58 21.19 ? 301 A1BFR B N2  1 
HETATM 1571 O O1  . A1BFR B 2 .   ? -47.791 -7.145  -28.036 0.58 25.88 ? 301 A1BFR B O1  1 
HETATM 1572 O O2  . A1BFR B 2 .   ? -43.478 -7.380  -30.290 0.58 19.64 ? 301 A1BFR B O2  1 
HETATM 1573 O O3  . A1BFR B 2 .   ? -46.596 -10.026 -30.182 0.58 25.09 ? 301 A1BFR B O3  1 
HETATM 1574 N N1  . EPE   C 3 .   ? -39.029 -15.627 -19.737 1.00 45.06 ? 302 EPE   B N1  1 
HETATM 1575 C C2  . EPE   C 3 .   ? -38.322 -15.376 -18.475 1.00 41.41 ? 302 EPE   B C2  1 
HETATM 1576 C C3  . EPE   C 3 .   ? -38.426 -13.933 -18.049 1.00 38.11 ? 302 EPE   B C3  1 
HETATM 1577 N N4  . EPE   C 3 .   ? -37.909 -13.034 -19.088 1.00 35.69 ? 302 EPE   B N4  1 
HETATM 1578 C C5  . EPE   C 3 .   ? -38.660 -13.266 -20.325 1.00 39.74 ? 302 EPE   B C5  1 
HETATM 1579 C C6  . EPE   C 3 .   ? -38.529 -14.702 -20.768 1.00 42.79 ? 302 EPE   B C6  1 
HETATM 1580 C C7  . EPE   C 3 .   ? -38.000 -11.636 -18.668 1.00 30.98 ? 302 EPE   B C7  1 
HETATM 1581 C C8  . EPE   C 3 .   ? -37.966 -10.625 -19.801 1.00 30.91 ? 302 EPE   B C8  1 
HETATM 1582 O O8  . EPE   C 3 .   ? -39.212 -10.495 -20.477 1.00 29.17 ? 302 EPE   B O8  1 
HETATM 1583 C C9  . EPE   C 3 .   ? -38.819 -17.015 -20.167 1.00 50.17 ? 302 EPE   B C9  1 
HETATM 1584 C C10 . EPE   C 3 .   ? -39.934 -17.981 -19.781 1.00 50.92 ? 302 EPE   B C10 1 
HETATM 1585 S S   . EPE   C 3 .   ? -39.581 -19.586 -20.454 1.00 52.15 ? 302 EPE   B S   1 
HETATM 1586 O O1S . EPE   C 3 .   ? -39.661 -20.503 -19.351 1.00 49.45 ? 302 EPE   B O1S 1 
HETATM 1587 O O2S . EPE   C 3 .   ? -38.338 -19.416 -21.161 1.00 42.01 ? 302 EPE   B O2S 1 
HETATM 1588 O O3S . EPE   C 3 .   ? -40.768 -19.787 -21.439 1.00 48.46 ? 302 EPE   B O3S 1 
HETATM 1589 C C1  . EDO   D 4 .   ? -50.754 -16.515 -32.937 1.00 42.50 ? 303 EDO   B C1  1 
HETATM 1590 O O1  . EDO   D 4 .   ? -49.344 -16.461 -32.771 1.00 37.95 ? 303 EDO   B O1  1 
HETATM 1591 C C2  . EDO   D 4 .   ? -51.462 -16.975 -31.727 1.00 40.69 ? 303 EDO   B C2  1 
HETATM 1592 O O2  . EDO   D 4 .   ? -51.175 -16.176 -30.600 1.00 46.82 ? 303 EDO   B O2  1 
HETATM 1593 S S   . SO4   E 5 .   ? -40.486 -24.657 -26.246 1.00 43.33 ? 304 SO4   B S   1 
HETATM 1594 O O1  . SO4   E 5 .   ? -39.796 -23.697 -27.051 1.00 27.55 ? 304 SO4   B O1  1 
HETATM 1595 O O2  . SO4   E 5 .   ? -41.413 -25.378 -27.060 1.00 45.45 ? 304 SO4   B O2  1 
HETATM 1596 O O3  . SO4   E 5 .   ? -39.523 -25.574 -25.680 1.00 47.41 ? 304 SO4   B O3  1 
HETATM 1597 O O4  . SO4   E 5 .   ? -41.215 -24.023 -25.171 1.00 43.82 ? 304 SO4   B O4  1 
HETATM 1598 O O   . HOH   F 6 .   ? -42.176 1.428   -22.527 1.00 32.27 ? 401 HOH   B O   1 
HETATM 1599 O O   . HOH   F 6 .   ? -22.826 -1.905  -9.656  1.00 31.74 ? 402 HOH   B O   1 
HETATM 1600 O O   . HOH   F 6 .   ? -47.210 -16.850 -31.736 1.00 26.09 ? 403 HOH   B O   1 
HETATM 1601 O O   . HOH   F 6 .   ? -45.892 3.616   -33.976 1.00 25.78 ? 404 HOH   B O   1 
HETATM 1602 O O   . HOH   F 6 .   ? -27.005 -28.594 -27.709 1.00 28.95 ? 405 HOH   B O   1 
HETATM 1603 O O   . HOH   F 6 .   ? -40.359 -1.189  -9.844  1.00 30.33 ? 406 HOH   B O   1 
HETATM 1604 O O   . HOH   F 6 .   ? -38.879 -15.454 -11.597 1.00 36.69 ? 407 HOH   B O   1 
HETATM 1605 O O   . HOH   F 6 .   ? -13.535 -23.565 -31.445 1.00 17.85 ? 408 HOH   B O   1 
HETATM 1606 O O   . HOH   F 6 .   ? -45.662 0.046   -11.802 1.00 26.62 ? 409 HOH   B O   1 
HETATM 1607 O O   . HOH   F 6 .   ? -18.697 -22.072 -35.725 1.00 19.08 ? 410 HOH   B O   1 
HETATM 1608 O O   . HOH   F 6 .   ? -29.610 -12.530 -37.626 1.00 24.49 ? 411 HOH   B O   1 
HETATM 1609 O O   . HOH   F 6 .   ? -36.064 -22.477 -19.509 1.00 26.27 ? 412 HOH   B O   1 
HETATM 1610 O O   . HOH   F 6 .   ? -47.203 1.267   -25.320 1.00 29.78 ? 413 HOH   B O   1 
HETATM 1611 O O   . HOH   F 6 .   ? -35.922 -19.119 -30.351 1.00 40.37 ? 414 HOH   B O   1 
HETATM 1612 O O   . HOH   F 6 .   ? -33.065 1.052   -33.410 1.00 21.44 ? 415 HOH   B O   1 
HETATM 1613 O O   . HOH   F 6 .   ? -12.764 -21.298 -18.622 1.00 30.45 ? 416 HOH   B O   1 
HETATM 1614 O O   . HOH   F 6 .   ? -30.878 1.048   -16.819 1.00 32.24 ? 417 HOH   B O   1 
HETATM 1615 O O   . HOH   F 6 .   ? -26.272 3.491   -35.171 1.00 35.21 ? 418 HOH   B O   1 
HETATM 1616 O O   . HOH   F 6 .   ? -36.741 -23.120 -30.695 1.00 38.17 ? 419 HOH   B O   1 
HETATM 1617 O O   . HOH   F 6 .   ? -15.746 -5.358  -13.505 1.00 32.81 ? 420 HOH   B O   1 
HETATM 1618 O O   . HOH   F 6 .   ? -32.828 -18.351 -37.094 1.00 36.39 ? 421 HOH   B O   1 
HETATM 1619 O O   . HOH   F 6 .   ? -19.459 -29.833 -15.639 1.00 30.59 ? 422 HOH   B O   1 
HETATM 1620 O O   . HOH   F 6 .   ? -40.006 -11.867 -22.573 1.00 28.68 ? 423 HOH   B O   1 
HETATM 1621 O O   . HOH   F 6 .   ? -38.722 0.460   -11.639 1.00 31.70 ? 424 HOH   B O   1 
HETATM 1622 O O   . HOH   F 6 .   ? -24.699 -30.922 -21.826 1.00 41.24 ? 425 HOH   B O   1 
HETATM 1623 O O   . HOH   F 6 .   ? -11.075 -21.226 -24.990 1.00 33.91 ? 426 HOH   B O   1 
HETATM 1624 O O   . HOH   F 6 .   ? -17.749 -21.366 -12.302 1.00 21.24 ? 427 HOH   B O   1 
HETATM 1625 O O   . HOH   F 6 .   ? -36.896 -16.360 -39.297 1.00 28.52 ? 428 HOH   B O   1 
HETATM 1626 O O   . HOH   F 6 .   ? -38.114 2.724   -22.683 1.00 20.52 ? 429 HOH   B O   1 
HETATM 1627 O O   . HOH   F 6 .   ? -30.949 -6.750  -11.214 1.00 16.51 ? 430 HOH   B O   1 
HETATM 1628 O O   . HOH   F 6 .   ? -37.426 -25.547 -11.262 1.00 39.36 ? 431 HOH   B O   1 
HETATM 1629 O O   . HOH   F 6 .   ? -36.780 -26.104 -23.699 1.00 36.85 ? 432 HOH   B O   1 
HETATM 1630 O O   . HOH   F 6 .   ? -32.373 4.661   -32.911 1.00 25.57 ? 433 HOH   B O   1 
HETATM 1631 O O   . HOH   F 6 .   ? -38.538 3.818   -41.908 1.00 30.00 ? 434 HOH   B O   1 
HETATM 1632 O O   . HOH   F 6 .   ? -49.894 -1.836  -19.323 1.00 33.91 ? 435 HOH   B O   1 
HETATM 1633 O O   . HOH   F 6 .   ? -8.994  -13.464 -25.133 1.00 38.51 ? 436 HOH   B O   1 
HETATM 1634 O O   . HOH   F 6 .   ? -30.897 -20.399 -21.225 1.00 14.04 ? 437 HOH   B O   1 
HETATM 1635 O O   . HOH   F 6 .   ? -45.158 7.391   -24.638 1.00 43.01 ? 438 HOH   B O   1 
HETATM 1636 O O   . HOH   F 6 .   ? -45.229 -12.463 -26.396 1.00 27.63 ? 439 HOH   B O   1 
HETATM 1637 O O   . HOH   F 6 .   ? -38.744 -7.681  -10.675 1.00 17.44 ? 440 HOH   B O   1 
HETATM 1638 O O   . HOH   F 6 .   ? -25.874 -22.763 -35.486 1.00 30.78 ? 441 HOH   B O   1 
HETATM 1639 O O   . HOH   F 6 .   ? -13.715 -21.107 -35.176 1.00 35.73 ? 442 HOH   B O   1 
HETATM 1640 O O   . HOH   F 6 .   ? -16.253 -19.771 -15.505 1.00 25.76 ? 443 HOH   B O   1 
HETATM 1641 O O   . HOH   F 6 .   ? -40.900 -14.509 -8.417  1.00 33.25 ? 444 HOH   B O   1 
HETATM 1642 O O   . HOH   F 6 .   ? -30.289 -24.068 -33.721 1.00 29.04 ? 445 HOH   B O   1 
HETATM 1643 O O   . HOH   F 6 .   ? -19.999 1.942   -30.434 1.00 33.55 ? 446 HOH   B O   1 
HETATM 1644 O O   . HOH   F 6 .   ? -38.990 -2.545  -21.259 1.00 16.06 ? 447 HOH   B O   1 
HETATM 1645 O O   . HOH   F 6 .   ? -36.336 -1.851  -33.696 1.00 22.93 ? 448 HOH   B O   1 
HETATM 1646 O O   . HOH   F 6 .   ? -41.081 -9.351  -36.622 1.00 26.90 ? 449 HOH   B O   1 
HETATM 1647 O O   . HOH   F 6 .   ? -17.610 -27.685 -19.550 1.00 21.40 ? 450 HOH   B O   1 
HETATM 1648 O O   . HOH   F 6 .   ? -26.617 1.901   -11.007 1.00 29.06 ? 451 HOH   B O   1 
HETATM 1649 O O   . HOH   F 6 .   ? -24.049 1.116   -10.609 1.00 33.36 ? 452 HOH   B O   1 
HETATM 1650 O O   . HOH   F 6 .   ? -26.686 -25.806 -16.330 1.00 19.12 ? 453 HOH   B O   1 
HETATM 1651 O O   . HOH   F 6 .   ? -19.521 -4.307  -21.891 1.00 17.49 ? 454 HOH   B O   1 
HETATM 1652 O O   . HOH   F 6 .   ? -18.082 -4.535  -5.547  1.00 46.35 ? 455 HOH   B O   1 
HETATM 1653 O O   . HOH   F 6 .   ? -18.621 -4.676  -24.542 1.00 20.48 ? 456 HOH   B O   1 
HETATM 1654 O O   . HOH   F 6 .   ? -34.219 -22.000 -31.263 1.00 20.69 ? 457 HOH   B O   1 
HETATM 1655 O O   . HOH   F 6 .   ? -27.807 -27.498 -25.777 1.00 29.25 ? 458 HOH   B O   1 
HETATM 1656 O O   . HOH   F 6 .   ? -45.677 -14.842 -27.521 1.00 34.39 ? 459 HOH   B O   1 
HETATM 1657 O O   . HOH   F 6 .   ? -42.758 -5.820  -12.147 1.00 23.62 ? 460 HOH   B O   1 
HETATM 1658 O O   . HOH   F 6 .   ? -25.631 -14.323 -3.160  1.00 31.40 ? 461 HOH   B O   1 
HETATM 1659 O O   . HOH   F 6 .   ? -19.399 -26.175 -31.718 1.00 21.46 ? 462 HOH   B O   1 
HETATM 1660 O O   . HOH   F 6 .   ? -35.985 -3.922  -9.910  1.00 41.93 ? 463 HOH   B O   1 
HETATM 1661 O O   . HOH   F 6 .   ? -12.940 -18.489 -34.739 1.00 39.28 ? 464 HOH   B O   1 
HETATM 1662 O O   . HOH   F 6 .   ? -10.418 -23.559 -21.646 1.00 32.09 ? 465 HOH   B O   1 
HETATM 1663 O O   . HOH   F 6 .   ? -26.862 -17.754 -7.661  1.00 18.65 ? 466 HOH   B O   1 
HETATM 1664 O O   . HOH   F 6 .   ? -45.831 -19.669 -31.439 1.00 27.77 ? 467 HOH   B O   1 
HETATM 1665 O O   . HOH   F 6 .   ? -27.301 -20.431 -6.960  1.00 19.53 ? 468 HOH   B O   1 
HETATM 1666 O O   . HOH   F 6 .   ? -36.674 -1.059  -22.005 1.00 15.52 ? 469 HOH   B O   1 
HETATM 1667 O O   . HOH   F 6 .   ? -21.049 -16.383 -5.389  1.00 19.99 ? 470 HOH   B O   1 
HETATM 1668 O O   . HOH   F 6 .   ? -23.446 4.310   -24.428 1.00 29.50 ? 471 HOH   B O   1 
HETATM 1669 O O   . HOH   F 6 .   ? -41.283 -6.100  -37.861 1.00 28.60 ? 472 HOH   B O   1 
HETATM 1670 O O   . HOH   F 6 .   ? -40.362 -14.445 -31.312 1.00 14.76 ? 473 HOH   B O   1 
HETATM 1671 O O   . HOH   F 6 .   ? -23.357 2.329   -22.804 1.00 31.67 ? 474 HOH   B O   1 
HETATM 1672 O O   . HOH   F 6 .   ? -38.613 4.019   -13.719 1.00 32.60 ? 475 HOH   B O   1 
HETATM 1673 O O   . HOH   F 6 .   ? -46.184 -4.307  -33.678 1.00 22.82 ? 476 HOH   B O   1 
HETATM 1674 O O   . HOH   F 6 .   ? -34.076 -22.051 -36.254 1.00 41.96 ? 477 HOH   B O   1 
HETATM 1675 O O   . HOH   F 6 .   ? -42.428 -4.042  -39.275 1.00 21.51 ? 478 HOH   B O   1 
HETATM 1676 O O   . HOH   F 6 .   ? -17.936 -19.951 -37.492 1.00 31.81 ? 479 HOH   B O   1 
HETATM 1677 O O   . HOH   F 6 .   ? -25.442 -10.551 -23.457 1.00 15.28 ? 480 HOH   B O   1 
HETATM 1678 O O   . HOH   F 6 .   ? -16.733 -5.765  -9.180  1.00 38.08 ? 481 HOH   B O   1 
HETATM 1679 O O   . HOH   F 6 .   ? -24.158 -12.449 -6.431  1.00 20.99 ? 482 HOH   B O   1 
HETATM 1680 O O   . HOH   F 6 .   ? -14.986 -19.840 -37.449 1.00 31.21 ? 483 HOH   B O   1 
HETATM 1681 O O   . HOH   F 6 .   ? -33.587 -15.002 -6.874  1.00 26.38 ? 484 HOH   B O   1 
HETATM 1682 O O   . HOH   F 6 .   ? -32.444 -5.104  -12.809 1.00 15.43 ? 485 HOH   B O   1 
HETATM 1683 O O   . HOH   F 6 .   ? -31.688 3.382   -26.696 1.00 25.81 ? 486 HOH   B O   1 
HETATM 1684 O O   . HOH   F 6 .   ? -42.275 -11.501 -38.638 1.00 26.62 ? 487 HOH   B O   1 
HETATM 1685 O O   . HOH   F 6 .   ? -36.750 -0.231  -42.248 1.00 36.75 ? 488 HOH   B O   1 
HETATM 1686 O O   . HOH   F 6 .   ? -41.944 -9.857  -43.602 1.00 30.67 ? 489 HOH   B O   1 
HETATM 1687 O O   . HOH   F 6 .   ? -25.830 -27.024 -23.783 1.00 18.23 ? 490 HOH   B O   1 
HETATM 1688 O O   . HOH   F 6 .   ? -41.602 -8.562  -13.246 1.00 22.66 ? 491 HOH   B O   1 
HETATM 1689 O O   . HOH   F 6 .   ? -14.536 -16.600 -33.050 1.00 30.11 ? 492 HOH   B O   1 
HETATM 1690 O O   . HOH   F 6 .   ? -41.250 -8.842  -19.229 1.00 15.38 ? 493 HOH   B O   1 
HETATM 1691 O O   . HOH   F 6 .   ? -35.640 -4.692  -42.076 1.00 23.91 ? 494 HOH   B O   1 
HETATM 1692 O O   . HOH   F 6 .   ? -18.376 -17.335 -36.117 1.00 28.09 ? 495 HOH   B O   1 
HETATM 1693 O O   . HOH   F 6 .   ? -37.109 0.819   -15.481 1.00 17.44 ? 496 HOH   B O   1 
HETATM 1694 O O   . HOH   F 6 .   ? -31.146 4.003   -24.191 1.00 26.36 ? 497 HOH   B O   1 
HETATM 1695 O O   . HOH   F 6 .   ? -43.885 -0.698  -24.396 1.00 31.49 ? 498 HOH   B O   1 
HETATM 1696 O O   . HOH   F 6 .   ? -24.965 -15.075 -6.732  1.00 18.81 ? 499 HOH   B O   1 
HETATM 1697 O O   . HOH   F 6 .   ? -9.495  -15.958 -26.436 1.00 30.85 ? 500 HOH   B O   1 
HETATM 1698 O O   . HOH   F 6 .   ? -33.610 -1.814  -38.149 1.00 27.31 ? 501 HOH   B O   1 
HETATM 1699 O O   . HOH   F 6 .   ? -19.153 -29.214 -23.370 1.00 32.23 ? 502 HOH   B O   1 
HETATM 1700 O O   . HOH   F 6 .   ? -24.138 -26.728 -15.945 1.00 24.29 ? 503 HOH   B O   1 
HETATM 1701 O O   . HOH   F 6 .   ? -41.452 -15.505 -18.066 1.00 51.23 ? 504 HOH   B O   1 
HETATM 1702 O O   . HOH   F 6 .   ? -34.990 -9.070  -5.918  1.00 48.89 ? 505 HOH   B O   1 
HETATM 1703 O O   . HOH   F 6 .   ? -40.137 6.049   -26.147 1.00 53.37 ? 506 HOH   B O   1 
HETATM 1704 O O   . HOH   F 6 .   ? -24.407 -4.254  -36.707 1.00 39.14 ? 507 HOH   B O   1 
HETATM 1705 O O   . HOH   F 6 .   ? -17.998 -11.129 -35.461 1.00 29.38 ? 508 HOH   B O   1 
HETATM 1706 O O   . HOH   F 6 .   ? -29.074 7.761   -30.004 1.00 32.23 ? 509 HOH   B O   1 
HETATM 1707 O O   . HOH   F 6 .   ? -18.079 -16.105 -6.051  1.00 28.07 ? 510 HOH   B O   1 
HETATM 1708 O O   . HOH   F 6 .   ? -33.994 5.232   -17.270 1.00 52.32 ? 511 HOH   B O   1 
HETATM 1709 O O   . HOH   F 6 .   ? -40.847 6.210   -33.220 1.00 35.19 ? 512 HOH   B O   1 
HETATM 1710 O O   . HOH   F 6 .   ? -40.036 2.698   -16.042 1.00 19.64 ? 513 HOH   B O   1 
HETATM 1711 O O   . HOH   F 6 .   ? -52.731 -14.388 -28.786 1.00 52.63 ? 514 HOH   B O   1 
HETATM 1712 O O   . HOH   F 6 .   ? -43.386 3.685   -18.649 1.00 22.40 ? 515 HOH   B O   1 
HETATM 1713 O O   . HOH   F 6 .   ? -16.195 -14.785 -8.564  1.00 38.49 ? 516 HOH   B O   1 
HETATM 1714 O O   . HOH   F 6 .   ? -42.594 -5.063  -43.529 1.00 22.55 ? 517 HOH   B O   1 
HETATM 1715 O O   . HOH   F 6 .   ? -34.516 -7.256  -7.885  1.00 32.69 ? 518 HOH   B O   1 
HETATM 1716 O O   . HOH   F 6 .   ? -24.819 -11.089 -4.055  1.00 25.55 ? 519 HOH   B O   1 
HETATM 1717 O O   . HOH   F 6 .   ? -25.333 6.931   -28.764 1.00 31.12 ? 520 HOH   B O   1 
HETATM 1718 O O   . HOH   F 6 .   ? -13.227 -6.332  -29.066 1.00 34.89 ? 521 HOH   B O   1 
HETATM 1719 O O   . HOH   F 6 .   ? -19.997 2.294   -23.982 1.00 40.63 ? 522 HOH   B O   1 
HETATM 1720 O O   . HOH   F 6 .   ? -40.409 -7.634  -34.557 1.00 20.98 ? 523 HOH   B O   1 
HETATM 1721 O O   . HOH   F 6 .   ? -16.077 -12.146 -5.319  1.00 50.92 ? 524 HOH   B O   1 
HETATM 1722 O O   . HOH   F 6 .   ? -41.318 5.291   -28.180 1.00 30.78 ? 525 HOH   B O   1 
HETATM 1723 O O   . HOH   F 6 .   ? -47.877 0.000   -32.543 0.50 22.50 ? 526 HOH   B O   1 
HETATM 1724 O O   . HOH   F 6 .   ? -30.925 -17.552 -42.550 1.00 34.99 ? 527 HOH   B O   1 
HETATM 1725 O O   . HOH   F 6 .   ? -16.160 -7.468  -11.106 1.00 33.30 ? 528 HOH   B O   1 
HETATM 1726 O O   . HOH   F 6 .   ? -32.814 -23.680 -33.241 1.00 36.90 ? 529 HOH   B O   1 
HETATM 1727 O O   . HOH   F 6 .   ? -36.834 -6.590  -8.874  1.00 29.42 ? 530 HOH   B O   1 
HETATM 1728 O O   . HOH   F 6 .   ? -26.238 -28.248 -21.331 1.00 41.32 ? 531 HOH   B O   1 
HETATM 1729 O O   . HOH   F 6 .   ? -40.265 5.018   -21.968 1.00 31.10 ? 532 HOH   B O   1 
HETATM 1730 O O   . HOH   F 6 .   ? -21.769 6.910   -32.107 1.00 37.19 ? 533 HOH   B O   1 
HETATM 1731 O O   . HOH   F 6 .   ? -8.340  -23.154 -29.929 1.00 34.11 ? 534 HOH   B O   1 
HETATM 1732 O O   . HOH   F 6 .   ? -22.931 3.437   -20.535 1.00 38.54 ? 535 HOH   B O   1 
HETATM 1733 O O   . HOH   F 6 .   ? -36.741 2.223   -42.945 1.00 43.85 ? 536 HOH   B O   1 
HETATM 1734 O O   . HOH   F 6 .   ? -16.004 -22.364 -14.474 1.00 31.30 ? 537 HOH   B O   1 
HETATM 1735 O O   . HOH   F 6 .   ? -42.253 -13.083 -22.288 1.00 28.54 ? 538 HOH   B O   1 
HETATM 1736 O O   . HOH   F 6 .   ? -38.935 -16.582 -40.868 1.00 35.78 ? 539 HOH   B O   1 
HETATM 1737 O O   . HOH   F 6 .   ? -16.131 -26.968 -17.136 1.00 41.94 ? 540 HOH   B O   1 
HETATM 1738 O O   . HOH   F 6 .   ? -28.528 -27.851 -16.803 1.00 28.40 ? 541 HOH   B O   1 
HETATM 1739 O O   . HOH   F 6 .   ? -26.459 -31.284 -23.833 1.00 31.26 ? 542 HOH   B O   1 
# 
