data_7HNP
# 
_entry.id   7HNP 
# 
_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   7HNP         pdb_00007hnp 10.2210/pdb7hnp/pdb 
WWPDB D_1001407703 ?            ?                   
# 
_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                        7HNP 
_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           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                      21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                            62.068    2   ?        ? ? ? 
3 non-polymer syn '[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone' 238.349   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                             96.063    1   ?        ? ? ? 
5 water       nat water                                                     18.015    139 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                            EDO 
3 '[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone' NUY 
4 'SULFATE ION'                                             SO4 
5 water                                                     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                   ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                                  ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                           ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                                  ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                            'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                                                 ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                           ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                                   ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                                 ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                     ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                                   ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                                    ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                                ?                 'C5 H11 N O2 S'  149.211 
NUY non-polymer         . '[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone' ?                 'C12 H18 N2 O S' 238.349 
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        NUY 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   NUY 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 EDO 1   201 202 EDO EDO B . 
C 3 NUY 1   202 302 NUY LIG B . 
D 2 EDO 1   203 305 EDO EDO B . 
E 4 SO4 1   204 1   SO4 SO4 B . 
F 5 HOH 1   301 107 HOH HOH B . 
F 5 HOH 2   302 11  HOH HOH B . 
F 5 HOH 3   303 99  HOH HOH B . 
F 5 HOH 4   304 2   HOH HOH B . 
F 5 HOH 5   305 33  HOH HOH B . 
F 5 HOH 6   306 26  HOH HOH B . 
F 5 HOH 7   307 1   HOH HOH B . 
F 5 HOH 8   308 80  HOH HOH B . 
F 5 HOH 9   309 16  HOH HOH B . 
F 5 HOH 10  310 40  HOH HOH B . 
F 5 HOH 11  311 9   HOH HOH B . 
F 5 HOH 12  312 267 HOH HOH B . 
F 5 HOH 13  313 63  HOH HOH B . 
F 5 HOH 14  314 172 HOH HOH B . 
F 5 HOH 15  315 51  HOH HOH B . 
F 5 HOH 16  316 184 HOH HOH B . 
F 5 HOH 17  317 4   HOH HOH B . 
F 5 HOH 18  318 27  HOH HOH B . 
F 5 HOH 19  319 102 HOH HOH B . 
F 5 HOH 20  320 211 HOH HOH B . 
F 5 HOH 21  321 21  HOH HOH B . 
F 5 HOH 22  322 70  HOH HOH B . 
F 5 HOH 23  323 89  HOH HOH B . 
F 5 HOH 24  324 100 HOH HOH B . 
F 5 HOH 25  325 66  HOH HOH B . 
F 5 HOH 26  326 25  HOH HOH B . 
F 5 HOH 27  327 90  HOH HOH B . 
F 5 HOH 28  328 95  HOH HOH B . 
F 5 HOH 29  329 5   HOH HOH B . 
F 5 HOH 30  330 11  HOH HOH B . 
F 5 HOH 31  331 36  HOH HOH B . 
F 5 HOH 32  332 19  HOH HOH B . 
F 5 HOH 33  333 58  HOH HOH B . 
F 5 HOH 34  334 10  HOH HOH B . 
F 5 HOH 35  335 34  HOH HOH B . 
F 5 HOH 36  336 22  HOH HOH B . 
F 5 HOH 37  337 31  HOH HOH B . 
F 5 HOH 38  338 81  HOH HOH B . 
F 5 HOH 39  339 18  HOH HOH B . 
F 5 HOH 40  340 68  HOH HOH B . 
F 5 HOH 41  341 39  HOH HOH B . 
F 5 HOH 42  342 22  HOH HOH B . 
F 5 HOH 43  343 15  HOH HOH B . 
F 5 HOH 44  344 20  HOH HOH B . 
F 5 HOH 45  345 29  HOH HOH B . 
F 5 HOH 46  346 16  HOH HOH B . 
F 5 HOH 47  347 6   HOH HOH B . 
F 5 HOH 48  348 71  HOH HOH B . 
F 5 HOH 49  349 50  HOH HOH B . 
F 5 HOH 50  350 86  HOH HOH B . 
F 5 HOH 51  351 1   HOH HOH B . 
F 5 HOH 52  352 93  HOH HOH B . 
F 5 HOH 53  353 126 HOH HOH B . 
F 5 HOH 54  354 4   HOH HOH B . 
F 5 HOH 55  355 2   HOH HOH B . 
F 5 HOH 56  356 7   HOH HOH B . 
F 5 HOH 57  357 214 HOH HOH B . 
F 5 HOH 58  358 10  HOH HOH B . 
F 5 HOH 59  359 157 HOH HOH B . 
F 5 HOH 60  360 55  HOH HOH B . 
F 5 HOH 61  361 26  HOH HOH B . 
F 5 HOH 62  362 30  HOH HOH B . 
F 5 HOH 63  363 76  HOH HOH B . 
F 5 HOH 64  364 64  HOH HOH B . 
F 5 HOH 65  365 61  HOH HOH B . 
F 5 HOH 66  366 59  HOH HOH B . 
F 5 HOH 67  367 47  HOH HOH B . 
F 5 HOH 68  368 72  HOH HOH B . 
F 5 HOH 69  369 62  HOH HOH B . 
F 5 HOH 70  370 60  HOH HOH B . 
F 5 HOH 71  371 46  HOH HOH B . 
F 5 HOH 72  372 27  HOH HOH B . 
F 5 HOH 73  373 85  HOH HOH B . 
F 5 HOH 74  374 263 HOH HOH B . 
F 5 HOH 75  375 8   HOH HOH B . 
F 5 HOH 76  376 43  HOH HOH B . 
F 5 HOH 77  377 48  HOH HOH B . 
F 5 HOH 78  378 304 HOH HOH B . 
F 5 HOH 79  379 3   HOH HOH B . 
F 5 HOH 80  380 3   HOH HOH B . 
F 5 HOH 81  381 24  HOH HOH B . 
F 5 HOH 82  382 32  HOH HOH B . 
F 5 HOH 83  383 14  HOH HOH B . 
F 5 HOH 84  384 42  HOH HOH B . 
F 5 HOH 85  385 264 HOH HOH B . 
F 5 HOH 86  386 156 HOH HOH B . 
F 5 HOH 87  387 25  HOH HOH B . 
F 5 HOH 88  388 303 HOH HOH B . 
F 5 HOH 89  389 125 HOH HOH B . 
F 5 HOH 90  390 97  HOH HOH B . 
F 5 HOH 91  391 23  HOH HOH B . 
F 5 HOH 92  392 45  HOH HOH B . 
F 5 HOH 93  393 17  HOH HOH B . 
F 5 HOH 94  394 56  HOH HOH B . 
F 5 HOH 95  395 49  HOH HOH B . 
F 5 HOH 96  396 13  HOH HOH B . 
F 5 HOH 97  397 12  HOH HOH B . 
F 5 HOH 98  398 120 HOH HOH B . 
F 5 HOH 99  399 112 HOH HOH B . 
F 5 HOH 100 400 57  HOH HOH B . 
F 5 HOH 101 401 15  HOH HOH B . 
F 5 HOH 102 402 137 HOH HOH B . 
F 5 HOH 103 403 32  HOH HOH B . 
F 5 HOH 104 404 281 HOH HOH B . 
F 5 HOH 105 405 20  HOH HOH B . 
F 5 HOH 106 406 8   HOH HOH B . 
F 5 HOH 107 407 38  HOH HOH B . 
F 5 HOH 108 408 7   HOH HOH B . 
F 5 HOH 109 409 33  HOH HOH B . 
F 5 HOH 110 410 41  HOH HOH B . 
F 5 HOH 111 411 54  HOH HOH B . 
F 5 HOH 112 412 18  HOH HOH B . 
F 5 HOH 113 413 53  HOH HOH B . 
F 5 HOH 114 414 140 HOH HOH B . 
F 5 HOH 115 415 69  HOH HOH B . 
F 5 HOH 116 416 115 HOH HOH B . 
F 5 HOH 117 417 19  HOH HOH B . 
F 5 HOH 118 418 5   HOH HOH B . 
F 5 HOH 119 419 44  HOH HOH B . 
F 5 HOH 120 420 257 HOH HOH B . 
F 5 HOH 121 421 133 HOH HOH B . 
F 5 HOH 122 422 103 HOH HOH B . 
F 5 HOH 123 423 73  HOH HOH B . 
F 5 HOH 124 424 266 HOH HOH B . 
F 5 HOH 125 425 114 HOH HOH B . 
F 5 HOH 126 426 197 HOH HOH B . 
F 5 HOH 127 427 30  HOH HOH B . 
F 5 HOH 128 428 23  HOH HOH B . 
F 5 HOH 129 429 21  HOH HOH B . 
F 5 HOH 130 430 13  HOH HOH B . 
F 5 HOH 131 431 98  HOH HOH B . 
F 5 HOH 132 432 82  HOH HOH B . 
F 5 HOH 133 433 104 HOH HOH B . 
F 5 HOH 134 434 205 HOH HOH B . 
F 5 HOH 135 435 127 HOH HOH B . 
F 5 HOH 136 436 270 HOH HOH B . 
F 5 HOH 137 437 131 HOH HOH B . 
F 5 HOH 138 438 14  HOH HOH B . 
F 5 HOH 139 439 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    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           7HNP 
_cell.length_a           95.184 
_cell.length_b           95.184 
_cell.length_c           45.850 
_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                         7HNP 
_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          7HNP 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.40 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.84 
_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                     7HNP 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.280 
_reflns.d_resolution_high            1.300 
_reflns.number_obs                   49465 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         97.900 
_reflns.pdbx_Rmerge_I_obs            0.066 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        17.800 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.300 
_reflns.pdbx_Rrim_I_all              0.069 
_reflns.pdbx_Rpim_I_all              0.019 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     560966 
_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 1.300 1.320  ? 9093 1990 ? 1.589 ? ? ? 4.600  ? 0.500  ? ? ? ? ? ? 81.200 1.795 0.809 0.300 
1 2 7.120 67.280 ? 4184 340  ? 0.036 ? ? ? 12.300 ? 98.600 ? ? ? ? ? ? 99.900 0.038 0.011 0.998 
# 
_refine.entry_id                                 7HNP 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3000 
_refine.ls_d_res_low                             67.3000 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    97.6900 
_refine.ls_number_reflns_obs                     47039 
_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                          0.1768 
_refine.ls_R_factor_R_work                       0.1756 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1985 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2385 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               18.9610 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0400 
_refine.aniso_B[2][2]                            0.0400 
_refine.aniso_B[3][3]                            -0.0900 
_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               0.9720 
_refine.correlation_coeff_Fo_to_Fc_free          0.9660 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0520 
_refine.pdbx_overall_ESU_R_Free                  0.0530 
_refine.overall_SU_ML                            0.0450 
_refine.overall_SU_B                             1.1660 
_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                                101.920 
_refine.B_iso_min                                9.110 
_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                       1.3000 
_refine_hist.d_res_low                        67.3000 
_refine_hist.pdbx_number_atoms_ligand         29 
_refine_hist.number_atoms_solvent             139 
_refine_hist.number_atoms_total               1661 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           30.99 
_refine_hist.pdbx_B_iso_mean_solvent          30.63 
_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       2000 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1616 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2512 1.841  1.644  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3731 1.439  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.197  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 109  26.969 21.009 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.788 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.603 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         221  0.091  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2242 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     492  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            953  1.737  1.731  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.722  1.700  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.718  2.558  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3000 
_refine_ls_shell.d_res_low                        1.3340 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               80.5500 
_refine_ls_shell.number_reflns_R_work             2843 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3480 
_refine_ls_shell.R_factor_R_free                  0.3540 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             151 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2994 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNP 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z106579662' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNP 
_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 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HNP 
_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 7HNP MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNP HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNP HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNP HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNP HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNP HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNP HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNP 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       -2.37 
# 
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 VAL A 139 ? N VAL B 145 O PHE A 154 ? O PHE B 160 
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                   7HNP 
_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 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.179 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.073 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                125.35 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.55 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                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             -103.39 
_pdbx_validate_torsion.psi             48.38 
# 
_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     425 
_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 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
NUY N1   N N N 260 
NUY C4   C N N 261 
NUY C5   C N N 262 
NUY C6   C N N 263 
NUY C7   C N N 264 
NUY C8   C N N 265 
NUY C10  C Y N 266 
NUY C1   C N N 267 
NUY C11  C Y N 268 
NUY C12  C Y N 269 
NUY C2   C N N 270 
NUY C3   C N N 271 
NUY C9   C Y N 272 
NUY N2   N N N 273 
NUY O1   O N N 274 
NUY S1   S Y N 275 
NUY H2   H N N 276 
NUY H3   H N N 277 
NUY H4   H N N 278 
NUY H5   H N N 279 
NUY H6   H N N 280 
NUY H7   H N N 281 
NUY H8   H N N 282 
NUY H9   H N N 283 
NUY H10  H N N 284 
NUY H11  H N N 285 
NUY H12  H N N 286 
NUY H13  H N N 287 
NUY H14  H N N 288 
NUY H15  H N N 289 
NUY H16  H N N 290 
NUY H17  H N N 291 
NUY H18  H N N 292 
NUY H19  H N N 293 
PHE N    N N N 294 
PHE CA   C N S 295 
PHE C    C N N 296 
PHE O    O N N 297 
PHE CB   C N N 298 
PHE CG   C Y N 299 
PHE CD1  C Y N 300 
PHE CD2  C Y N 301 
PHE CE1  C Y N 302 
PHE CE2  C Y N 303 
PHE CZ   C Y N 304 
PHE OXT  O N N 305 
PHE H    H N N 306 
PHE H2   H N N 307 
PHE HA   H N N 308 
PHE HB2  H N N 309 
PHE HB3  H N N 310 
PHE HD1  H N N 311 
PHE HD2  H N N 312 
PHE HE1  H N N 313 
PHE HE2  H N N 314 
PHE HZ   H N N 315 
PHE HXT  H N N 316 
PRO N    N N N 317 
PRO CA   C N S 318 
PRO C    C N N 319 
PRO O    O N N 320 
PRO CB   C N N 321 
PRO CG   C N N 322 
PRO CD   C N N 323 
PRO OXT  O N N 324 
PRO H    H N N 325 
PRO HA   H N N 326 
PRO HB2  H N N 327 
PRO HB3  H N N 328 
PRO HG2  H N N 329 
PRO HG3  H N N 330 
PRO HD2  H N N 331 
PRO HD3  H N N 332 
PRO HXT  H N N 333 
SER N    N N N 334 
SER CA   C N S 335 
SER C    C N N 336 
SER O    O N N 337 
SER CB   C N N 338 
SER OG   O N N 339 
SER OXT  O N N 340 
SER H    H N N 341 
SER H2   H N N 342 
SER HA   H N N 343 
SER HB2  H N N 344 
SER HB3  H N N 345 
SER HG   H N N 346 
SER HXT  H N N 347 
SO4 S    S N N 348 
SO4 O1   O N N 349 
SO4 O2   O N N 350 
SO4 O3   O N N 351 
SO4 O4   O N N 352 
THR N    N N N 353 
THR CA   C N S 354 
THR C    C N N 355 
THR O    O N N 356 
THR CB   C N R 357 
THR OG1  O N N 358 
THR CG2  C N N 359 
THR OXT  O N N 360 
THR H    H N N 361 
THR H2   H N N 362 
THR HA   H N N 363 
THR HB   H N N 364 
THR HG1  H N N 365 
THR HG21 H N N 366 
THR HG22 H N N 367 
THR HG23 H N N 368 
THR HXT  H N N 369 
TRP N    N N N 370 
TRP CA   C N S 371 
TRP C    C N N 372 
TRP O    O N N 373 
TRP CB   C N N 374 
TRP CG   C Y N 375 
TRP CD1  C Y N 376 
TRP CD2  C Y N 377 
TRP NE1  N Y N 378 
TRP CE2  C Y N 379 
TRP CE3  C Y N 380 
TRP CZ2  C Y N 381 
TRP CZ3  C Y N 382 
TRP CH2  C Y N 383 
TRP OXT  O N N 384 
TRP H    H N N 385 
TRP H2   H N N 386 
TRP HA   H N N 387 
TRP HB2  H N N 388 
TRP HB3  H N N 389 
TRP HD1  H N N 390 
TRP HE1  H N N 391 
TRP HE3  H N N 392 
TRP HZ2  H N N 393 
TRP HZ3  H N N 394 
TRP HH2  H N N 395 
TRP HXT  H N N 396 
TYR N    N N N 397 
TYR CA   C N S 398 
TYR C    C N N 399 
TYR O    O N N 400 
TYR CB   C N N 401 
TYR CG   C Y N 402 
TYR CD1  C Y N 403 
TYR CD2  C Y N 404 
TYR CE1  C Y N 405 
TYR CE2  C Y N 406 
TYR CZ   C Y N 407 
TYR OH   O N N 408 
TYR OXT  O N N 409 
TYR H    H N N 410 
TYR H2   H N N 411 
TYR HA   H N N 412 
TYR HB2  H N N 413 
TYR HB3  H N N 414 
TYR HD1  H N N 415 
TYR HD2  H N N 416 
TYR HE1  H N N 417 
TYR HE2  H N N 418 
TYR HH   H N N 419 
TYR HXT  H N N 420 
VAL N    N N N 421 
VAL CA   C N S 422 
VAL C    C N N 423 
VAL O    O N N 424 
VAL CB   C N N 425 
VAL CG1  C N N 426 
VAL CG2  C N N 427 
VAL OXT  O N N 428 
VAL H    H N N 429 
VAL H2   H N N 430 
VAL HA   H N N 431 
VAL HB   H N N 432 
VAL HG11 H N N 433 
VAL HG12 H N N 434 
VAL HG13 H N N 435 
VAL HG21 H N N 436 
VAL HG22 H N N 437 
VAL HG23 H N N 438 
VAL HXT  H N N 439 
# 
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 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
NUY C11 C10  sing Y N 246 
NUY C11 C12  doub Y N 247 
NUY C10 C9   doub Y N 248 
NUY O1  C8   doub N N 249 
NUY C12 S1   sing Y N 250 
NUY C9  C8   sing N N 251 
NUY C9  S1   sing Y N 252 
NUY C8  N2   sing N N 253 
NUY N2  C6   sing N N 254 
NUY N2  C5   sing N N 255 
NUY C6  C7   sing N N 256 
NUY C5  C4   sing N N 257 
NUY C7  N1   sing N N 258 
NUY C4  N1   sing N N 259 
NUY N1  C2   sing N N 260 
NUY C2  C1   sing N N 261 
NUY C2  C3   sing N N 262 
NUY C4  H2   sing N N 263 
NUY C4  H3   sing N N 264 
NUY C5  H4   sing N N 265 
NUY C5  H5   sing N N 266 
NUY C6  H6   sing N N 267 
NUY C6  H7   sing N N 268 
NUY C7  H8   sing N N 269 
NUY C7  H9   sing N N 270 
NUY C10 H10  sing N N 271 
NUY C1  H11  sing N N 272 
NUY C1  H12  sing N N 273 
NUY C1  H13  sing N N 274 
NUY C11 H14  sing N N 275 
NUY C12 H15  sing N N 276 
NUY C2  H16  sing N N 277 
NUY C3  H17  sing N N 278 
NUY C3  H18  sing N N 279 
NUY C3  H19  sing N N 280 
PHE N   CA   sing N N 281 
PHE N   H    sing N N 282 
PHE N   H2   sing N N 283 
PHE CA  C    sing N N 284 
PHE CA  CB   sing N N 285 
PHE CA  HA   sing N N 286 
PHE C   O    doub N N 287 
PHE C   OXT  sing N N 288 
PHE CB  CG   sing N N 289 
PHE CB  HB2  sing N N 290 
PHE CB  HB3  sing N N 291 
PHE CG  CD1  doub Y N 292 
PHE CG  CD2  sing Y N 293 
PHE CD1 CE1  sing Y N 294 
PHE CD1 HD1  sing N N 295 
PHE CD2 CE2  doub Y N 296 
PHE CD2 HD2  sing N N 297 
PHE CE1 CZ   doub Y N 298 
PHE CE1 HE1  sing N N 299 
PHE CE2 CZ   sing Y N 300 
PHE CE2 HE2  sing N N 301 
PHE CZ  HZ   sing N N 302 
PHE OXT HXT  sing N N 303 
PRO N   CA   sing N N 304 
PRO N   CD   sing N N 305 
PRO N   H    sing N N 306 
PRO CA  C    sing N N 307 
PRO CA  CB   sing N N 308 
PRO CA  HA   sing N N 309 
PRO C   O    doub N N 310 
PRO C   OXT  sing N N 311 
PRO CB  CG   sing N N 312 
PRO CB  HB2  sing N N 313 
PRO CB  HB3  sing N N 314 
PRO CG  CD   sing N N 315 
PRO CG  HG2  sing N N 316 
PRO CG  HG3  sing N N 317 
PRO CD  HD2  sing N N 318 
PRO CD  HD3  sing N N 319 
PRO OXT HXT  sing N N 320 
SER N   CA   sing N N 321 
SER N   H    sing N N 322 
SER N   H2   sing N N 323 
SER CA  C    sing N N 324 
SER CA  CB   sing N N 325 
SER CA  HA   sing N N 326 
SER C   O    doub N N 327 
SER C   OXT  sing N N 328 
SER CB  OG   sing N N 329 
SER CB  HB2  sing N N 330 
SER CB  HB3  sing N N 331 
SER OG  HG   sing N N 332 
SER OXT HXT  sing N N 333 
SO4 S   O1   doub N N 334 
SO4 S   O2   doub N N 335 
SO4 S   O3   sing N N 336 
SO4 S   O4   sing N N 337 
THR N   CA   sing N N 338 
THR N   H    sing N N 339 
THR N   H2   sing N N 340 
THR CA  C    sing N N 341 
THR CA  CB   sing N N 342 
THR CA  HA   sing N N 343 
THR C   O    doub N N 344 
THR C   OXT  sing N N 345 
THR CB  OG1  sing N N 346 
THR CB  CG2  sing N N 347 
THR CB  HB   sing N N 348 
THR OG1 HG1  sing N N 349 
THR CG2 HG21 sing N N 350 
THR CG2 HG22 sing N N 351 
THR CG2 HG23 sing N N 352 
THR OXT HXT  sing N N 353 
TRP N   CA   sing N N 354 
TRP N   H    sing N N 355 
TRP N   H2   sing N N 356 
TRP CA  C    sing N N 357 
TRP CA  CB   sing N N 358 
TRP CA  HA   sing N N 359 
TRP C   O    doub N N 360 
TRP C   OXT  sing N N 361 
TRP CB  CG   sing N N 362 
TRP CB  HB2  sing N N 363 
TRP CB  HB3  sing N N 364 
TRP CG  CD1  doub Y N 365 
TRP CG  CD2  sing Y N 366 
TRP CD1 NE1  sing Y N 367 
TRP CD1 HD1  sing N N 368 
TRP CD2 CE2  doub Y N 369 
TRP CD2 CE3  sing Y N 370 
TRP NE1 CE2  sing Y N 371 
TRP NE1 HE1  sing N N 372 
TRP CE2 CZ2  sing Y N 373 
TRP CE3 CZ3  doub Y N 374 
TRP CE3 HE3  sing N N 375 
TRP CZ2 CH2  doub Y N 376 
TRP CZ2 HZ2  sing N N 377 
TRP CZ3 CH2  sing Y N 378 
TRP CZ3 HZ3  sing N N 379 
TRP CH2 HH2  sing N N 380 
TRP OXT HXT  sing N N 381 
TYR N   CA   sing N N 382 
TYR N   H    sing N N 383 
TYR N   H2   sing N N 384 
TYR CA  C    sing N N 385 
TYR CA  CB   sing N N 386 
TYR CA  HA   sing N N 387 
TYR C   O    doub N N 388 
TYR C   OXT  sing N N 389 
TYR CB  CG   sing N N 390 
TYR CB  HB2  sing N N 391 
TYR CB  HB3  sing N N 392 
TYR CG  CD1  doub Y N 393 
TYR CG  CD2  sing Y N 394 
TYR CD1 CE1  sing Y N 395 
TYR CD1 HD1  sing N N 396 
TYR CD2 CE2  doub Y N 397 
TYR CD2 HD2  sing N N 398 
TYR CE1 CZ   doub Y N 399 
TYR CE1 HE1  sing N N 400 
TYR CE2 CZ   sing Y N 401 
TYR CE2 HE2  sing N N 402 
TYR CZ  OH   sing N N 403 
TYR OH  HH   sing N N 404 
TYR OXT HXT  sing N N 405 
VAL N   CA   sing N N 406 
VAL N   H    sing N N 407 
VAL N   H2   sing N N 408 
VAL CA  C    sing N N 409 
VAL CA  CB   sing N N 410 
VAL CA  HA   sing N N 411 
VAL C   O    doub N N 412 
VAL C   OXT  sing N N 413 
VAL CB  CG1  sing N N 414 
VAL CB  CG2  sing N N 415 
VAL CB  HB   sing N N 416 
VAL CG1 HG11 sing N N 417 
VAL CG1 HG12 sing N N 418 
VAL CG1 HG13 sing N N 419 
VAL CG2 HG21 sing N N 420 
VAL CG2 HG22 sing N N 421 
VAL CG2 HG23 sing N N 422 
VAL OXT HXT  sing N N 423 
# 
_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                    7HNP 
_atom_sites.fract_transf_matrix[1][1]   0.010506 
_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]   0.010506 
_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]   0.021810 
_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   ? -13.001 -13.052 -10.146 1.00 88.18  ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.670 -13.495 -11.536 1.00 82.66  ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.596 -12.575 -12.139 1.00 85.79  ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.640 -11.344 -11.887 1.00 92.85  ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.946 -13.580 -12.393 1.00 73.11  ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.469 -12.270 -12.891 1.00 65.23  ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.984 -11.667 -14.037 1.00 63.67  ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.450 -11.462 -12.432 1.00 64.75  ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.622 -10.534 -14.244 1.00 61.94  ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.535 -10.386 -13.281 1.00 58.42  ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.677 -13.158 -12.913 1.00 81.98  ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.555  -12.465 -13.603 1.00 80.55  ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.774  -12.539 -15.125 1.00 69.23  ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.779  -12.723 -15.851 1.00 66.70  ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.222  -13.058 -13.107 1.00 85.00  ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.024  -12.943 -11.625 1.00 97.59  ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.221  -11.753 -10.932 1.00 98.35  ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -7.635  -13.850 -10.698 1.00 101.92 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.970  -11.938 -9.650  1.00 96.22  ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.605  -13.216 -9.481  1.00 100.58 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.033 -12.370 -15.573 1.00 58.77  ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.537 -12.595 -16.963 1.00 48.98  ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.546 -11.299 -17.774 1.00 46.82  ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.736 -11.401 -18.998 1.00 37.44  ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -12.974 -13.149 -16.966 1.00 43.59  ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.099 -14.525 -16.413 1.00 42.85  ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.181 -15.529 -16.694 1.00 41.76  ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.032 -15.079 -15.616 1.00 37.86  ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.545 -16.640 -16.085 1.00 47.48  ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.682 -16.389 -15.422 1.00 44.61  ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.377 -10.143 -17.115 1.00 48.34  ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.502 -8.775  -17.698 1.00 53.14  ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.620 -8.608  -18.948 1.00 50.16  ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.048 -7.864  -19.860 1.00 50.65  ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.174 -7.686  -16.656 1.00 60.19  ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -11.961 -7.792  -15.392 1.00 69.23  ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.436 -8.367  -14.242 1.00 78.90  ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.223 -7.416  -15.089 1.00 74.46  ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.345 -8.338  -13.285 1.00 82.72  ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.454 -7.764  -13.780 1.00 81.98  ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.448  -9.261  -19.004 1.00 46.58  ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.452  -9.133  -20.110 1.00 44.89  ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -8.903  -9.853  -21.393 1.00 41.11  ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.223  -9.688  -22.409 1.00 39.76  ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.066  -9.621  -19.666 1.00 55.38  ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.010  -11.076 -19.348 1.00 58.36  ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.499  -12.008 -20.234 1.00 67.27  ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.397  -11.764 -18.252 1.00 63.84  ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.568  -13.210 -19.695 1.00 61.18  ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.118  -13.090 -18.481 1.00 66.70  ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -9.985  -10.637 -21.371 1.00 30.25  ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.650 -11.180 -22.594 1.00 25.25  ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.762 -10.246 -23.047 1.00 23.67  ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.648 -10.712 -23.773 1.00 19.33  ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.206 -12.569 -22.327 1.00 26.00  ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.128 -13.502 -21.916 1.00 26.63  ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.123  -13.858 -22.797 1.00 26.68  ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -9.891  -14.117 -20.737 1.00 28.26  ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.307  -14.691 -22.177 1.00 27.11  ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.736  -14.867 -20.921 1.00 29.24  ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.749 -9.007  -22.577 1.00 24.09  ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.796 -7.997  -22.890 1.00 27.22  ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -12.926 -7.827  -24.412 1.00 26.74  ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.913 -7.739  -25.150 1.00 27.38  ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.449 -6.651  -22.231 1.00 32.49  ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.491 -5.544  -22.431 1.00 40.24  ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.057 -5.756  -21.481 1.00 51.05  ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.623 -5.032  -19.901 1.00 40.29  ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.160 -7.804  -24.910 1.00 21.45  ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.489 -7.607  -26.343 1.00 21.00  ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.479 -6.427  -26.424 1.00 22.82  ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.320 -6.258  -25.519 1.00 21.84  ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.039 -8.863  -27.034 1.00 22.78  ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.953 -9.920  -27.167 1.00 26.27  ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.224 -9.463  -26.324 1.00 23.12  ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.404 -5.656  -27.498 1.00 21.73  ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.313 -4.511  -27.739 1.00 20.73  ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.552 -5.039  -28.478 1.00 21.13  ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.456 -5.465  -29.633 1.00 25.31  ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.583 -3.440  -28.542 1.00 22.77  ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.370 -2.193  -28.788 1.00 26.68  ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.445 -1.182  -27.858 1.00 30.15  ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.093 -1.784  -29.859 1.00 30.36  ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.189 -0.185  -28.330 1.00 27.73  ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.623 -0.548  -29.564 1.00 30.80  ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.677 -5.120  -27.794 1.00 16.32  ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.910 -5.643  -28.425 1.00 17.50  ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.716 -4.447  -28.951 1.00 17.82  ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.771 -3.423  -28.274 1.00 17.54  ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.725 -6.444  -27.384 1.00 17.11  ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.911 -7.628  -26.841 1.00 17.99  ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.062 -6.882  -27.971 1.00 15.96  ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.352 -8.581  -27.874 1.00 16.65  ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.343 -4.645  -30.089 1.00 16.27  ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.328 -3.657  -30.633 1.00 16.78  ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.601 -4.415  -30.979 1.00 17.37  ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.548 -5.648  -31.245 1.00 18.40  ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.763 -2.896  -31.836 1.00 19.26  ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.395 -3.797  -32.874 1.00 20.44  ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.594 -2.000  -31.458 1.00 22.20  ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.738 -3.719  -30.938 1.00 15.68  ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.026 -4.361  -31.247 1.00 16.19  ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.312 -4.359  -32.745 1.00 16.25  ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.004 -3.342  -33.404 1.00 17.48  ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.098 -3.629  -30.469 1.00 16.26  ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.890 -3.662  -28.964 1.00 16.82  ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.850 -2.734  -28.236 1.00 18.03  ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.998 -5.093  -28.412 1.00 18.44  ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.913 -5.410  -33.239 1.00 15.38  ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.294 -5.597  -34.653 1.00 15.85  ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.777 -5.198  -34.808 1.00 16.79  ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.663 -5.970  -34.470 1.00 14.92  ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -26.989 -7.015  -35.127 1.00 15.43  ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.338 -7.320  -36.564 1.00 21.50  ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.983 -6.444  -37.172 1.00 19.80  ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.963 -8.398  -37.062 1.00 21.37  ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.998 -3.971  -35.308 0.25 16.97  ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.027 -3.981  -35.310 0.25 17.50  ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.330 -3.362  -35.574 0.25 18.12  ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.394 -3.418  -35.483 0.25 18.82  ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.240 -4.304  -36.361 0.25 17.17  ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.265 -4.316  -36.366 0.25 17.64  ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.460 -4.272  -36.119 0.25 18.12  ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.493 -4.279  -36.191 0.25 18.25  ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.162 -2.093  -36.421 0.25 18.77  ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.325 -2.032  -36.135 0.25 20.85  ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.294 -1.017  -35.785 0.25 20.61  ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.812 -0.930  -35.223 0.25 23.60  ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.268 0.292   -36.572 0.25 21.70  ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.366 -0.553  -35.505 0.25 27.28  ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.683 1.337   -35.750 0.25 22.36  ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.144 0.257   -36.705 0.25 28.77  ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.347 1.955   -34.793 0.25 21.54  ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.633 -0.188  -37.851 0.25 31.38  ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.618 1.653   -34.598 0.25 22.98  ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.275 -1.455  -37.988 0.25 34.76  ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.752 2.868   -34.054 0.25 22.68  ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.471 0.647   -38.859 0.25 32.91  ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.677 -5.070  -37.294 1.00 16.93  ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.474 -5.917  -38.211 1.00 18.81  ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.162 -7.038  -37.445 1.00 17.12  ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.149 -7.566  -37.953 1.00 17.94  ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.645 -6.448  -39.385 1.00 22.16  ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.326 -5.353  -40.372 1.00 28.90  ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.050 -4.372  -40.473 1.00 35.21  ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.240 -5.529  -41.089 1.00 37.17  ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.595 -7.476  -36.304 1.00 15.85  ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.146 -8.575  -35.488 1.00 15.20  ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.158 -8.077  -34.472 1.00 14.43  ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.830 -8.890  -33.860 1.00 14.54  ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.051 -9.356  -34.756 1.00 14.55  ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.491 -8.546  -33.718 1.00 14.69  ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.018 -9.896  -35.728 1.00 15.46  ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.241 -6.775  -34.246 1.00 14.80  ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.031 -6.227  -33.149 1.00 13.41  ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.527 -6.425  -33.400 1.00 14.85  ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.002 -6.148  -34.525 1.00 16.39  ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.702 -4.772  -32.998 1.00 14.94  ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.279 -6.715  -32.358 1.00 14.84  ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.751 -6.533  -32.365 1.00 14.87  ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.009 -5.097  -32.853 1.00 15.86  ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.293 -4.154  -32.466 1.00 14.79  ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.271 -6.886  -30.986 1.00 15.38  ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.746 -6.645  -30.885 1.00 18.52  ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.174 -5.523  -30.704 1.00 18.61  ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.515 -7.692  -30.984 1.00 21.01  ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.081 -4.948  -33.603 1.00 16.22  ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.400 -3.690  -34.327 1.00 16.32  ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.805 -2.591  -33.349 1.00 17.54  ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.931 -1.440  -33.826 1.00 17.52  ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.459 -3.954  -35.357 1.00 17.19  ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.635 -4.376  -34.696 1.00 22.14  ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.015 -2.851  -32.060 1.00 15.68  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.294 -1.849  -31.018 1.00 16.74  ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.061 -1.366  -30.257 1.00 17.33  ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.182 -0.438  -29.441 1.00 16.87  ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.335 -2.383  -30.059 1.00 18.25  ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.710 -2.469  -30.652 1.00 17.98  ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.111 -3.012  -31.851 1.00 17.61  ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.905 -2.013  -30.004 1.00 21.21  ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.474 -2.906  -32.010 1.00 21.03  ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.977 -2.293  -30.891 1.00 18.34  ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.156 -1.429  -28.758 1.00 21.94  ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.305 -1.979  -30.561 1.00 22.42  ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.479 -1.103  -28.443 1.00 24.12  ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.515 -1.432  -29.311 1.00 24.87  ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.877 -1.929  -30.568 1.00 15.65  ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.678 -1.494  -29.836 1.00 15.53  ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.078 -0.230  -30.480 1.00 14.06  ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.090 -0.061  -31.719 1.00 15.26  ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.643 -2.621  -29.813 1.00 13.34  ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.084 -3.907  -29.130 1.00 14.88  ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -34.958 -4.922  -29.144 1.00 14.24  ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.518 -3.660  -27.736 1.00 15.14  ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.458 0.534   -29.595 1.00 14.15  ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.689 1.764   -29.976 1.00 14.80  ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.237 1.545   -29.561 1.00 14.58  ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.972 1.433   -28.342 1.00 15.33  ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.255 3.022   -29.325 1.00 16.26  ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.736 3.264   -29.708 1.00 16.33  ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.432 4.247   -29.735 1.00 17.64  ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.402 4.347   -28.970 1.00 18.46  ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.367 1.484   -30.565 1.00 16.56  ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.906 1.271   -30.366 1.00 16.62  ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.201 2.602   -30.554 1.00 17.90  ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.476 3.323   -31.553 1.00 19.72  ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.394 0.182   -31.299 1.00 17.17  ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.959 -1.186  -30.916 1.00 18.50  ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.868 0.155   -31.263 1.00 18.17  ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.772 -2.210  -31.895 1.00 21.62  ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.313 2.960   -29.643 1.00 16.74  ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.605 4.243   -29.690 1.00 17.63  ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.675 4.310   -30.906 1.00 15.45  ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.343 3.316   -31.525 1.00 16.69  ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.857 4.397   -28.424 1.00 18.55  ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.884 3.370   -28.315 1.00 18.59  ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.319 5.547   -31.294 1.00 19.70  ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.406 5.801   -32.434 1.00 20.60  ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.127 4.951   -32.339 1.00 18.78  ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.676 4.491   -33.389 1.00 22.07  ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.060 7.306   -32.462 1.00 23.89  ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.132 7.688   -33.588 1.00 27.07  ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.308 9.150   -33.907 1.00 27.29  ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.173 9.965   -32.648 1.00 31.10  ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.377 11.390  -32.934 1.00 36.35  ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.554 4.833   -31.138 1.00 20.53  ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.263 4.112   -30.949 1.00 19.25  ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.505 2.589   -30.916 1.00 18.84  ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.521 1.823   -30.827 1.00 18.05  ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.512 4.597   -29.703 1.00 21.02  ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.183 4.363   -28.372 1.00 20.64  ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.289 3.733   -28.360 1.00 19.95  ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.572 4.761   -27.359 1.00 23.58  ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.747 2.145   -31.007 1.00 17.32  ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.109 0.698   -31.033 1.00 16.75  ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.695 0.038   -29.702 1.00 14.71  ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.545 -1.201  -29.688 1.00 14.91  ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.602 -0.000  -32.302 1.00 19.48  ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.223 0.599   -33.565 1.00 24.71  ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.891 -0.121  -34.837 1.00 32.59  ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.475 -0.423  -34.974 1.00 42.62  ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.898 -1.647  -34.889 1.00 58.09  ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.609 -2.753  -34.670 1.00 53.38  ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.581 -1.758  -35.040 1.00 60.66  ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.618 0.785   -28.616 1.00 13.49  ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.251 0.222   -27.297 1.00 15.53  ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.377 0.257   -26.280 1.00 15.78  ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.208 -0.321  -25.195 1.00 16.69  ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.050 0.962   -26.720 1.00 17.11  ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.861 0.890   -27.657 1.00 20.20  ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.961 -0.273  -27.401 1.00 21.68  ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.195 -0.060  -26.173 1.00 22.19  ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.482 -1.023  -25.588 1.00 21.81  ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.391 -2.199  -26.162 1.00 21.02  ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.832 -0.777  -24.470 1.00 22.47  ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.528 0.851   -26.586 1.00 14.35  ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.683 0.914   -25.677 1.00 14.70  ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.955 0.511   -26.413 1.00 14.28  ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.098 0.788   -27.618 1.00 14.70  ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.863 2.303   -25.067 1.00 18.32  ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.595 2.869   -24.459 1.00 21.15  ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -26.923 4.116   -23.663 1.00 24.62  ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.065 4.376   -23.273 1.00 28.48  ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -25.895 4.873   -23.374 1.00 30.68  ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.875 -0.111  -25.697 1.00 13.82  ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.193 -0.478  -26.261 1.00 13.39  ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.276 -0.318  -25.230 1.00 14.13  ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.081 -0.727  -24.106 1.00 13.86  ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.140 -1.872  -26.884 1.00 12.25  ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.716 -2.970  -25.880 1.00 13.13  ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.471 -2.227  -27.543 1.00 14.66  ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.438 0.154   -25.663 1.00 14.61  ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.614 0.232   -24.765 1.00 15.20  ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.862 -0.055  -25.589 1.00 15.77  ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.851 0.044   -26.823 1.00 14.38  ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.739 1.591   -24.075 1.00 16.45  ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.032 2.730   -25.041 1.00 18.80  ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.939 4.055   -24.294 1.00 22.26  ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.197 5.164   -25.193 1.00 28.09  ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.383 5.665   -25.490 1.00 25.38  ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.490 5.128   -25.022 1.00 29.24  ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.451 6.716   -26.314 1.00 29.90  ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.924 -0.364  -24.847 0.25 15.18  ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.946 -0.452  -24.917 0.25 16.48  ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.287 -0.570  -25.386 0.25 17.15  ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.229 -0.729  -25.621 0.25 18.85  ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.875 0.787   -25.776 0.25 17.86  ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.014 0.577   -25.758 0.25 18.88  ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.818 1.738   -24.969 0.25 17.65  ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.303 1.219   -24.717 0.25 17.77  ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.170 -1.245  -24.333 0.25 17.09  ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.110 -1.760  -24.909 0.25 21.20  ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.527 -1.681  -24.883 0.25 18.94  ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.453 -1.967  -25.640 0.25 23.42  ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.432 -2.825  -26.332 0.25 20.88  ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.178 -3.614  -25.377 0.25 26.30  ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.020 -3.655  -26.247 0.25 21.66  ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.556 -3.554  -26.520 0.25 26.31  ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.355 0.898   -27.010 1.00 18.85  ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.141 2.077   -27.409 1.00 20.36  ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.595 1.904   -26.969 1.00 21.70  ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.007 0.777   -26.584 1.00 21.64  ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.361 2.999   -27.082 1.00 26.15  ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.799 3.001   -26.660 1.00 29.56  ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.666 2.623   -27.889 1.00 30.33  ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.894 2.413   -27.727 1.00 28.15  ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.131 4.303   -25.897 1.00 35.85  ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.764 4.331   -24.399 1.00 48.96  ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.637 3.239   -23.779 1.00 53.98  ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.606 5.452   -23.824 1.00 46.29  ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.059 2.304   -29.033 1.00 22.79  ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.757 1.962   -30.312 1.00 22.40  ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.822 1.216   -31.291 1.00 20.17  ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.521 1.223   -31.092 1.00 19.30  ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.287 3.303   -30.834 1.00 22.02  ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.149 3.000   -31.912 1.00 25.16  ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.162 4.187   -31.311 1.00 22.54  ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.314 0.719   -32.435 1.00 21.04  ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.491 0.240   -33.584 1.00 19.36  ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.542 1.345   -33.991 1.00 22.98  ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.017 2.493   -34.190 1.00 22.00  ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.409 -0.236  -34.730 1.00 18.60  ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.750 -0.905  -35.876 1.00 15.56  ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.019 -0.210  -36.834 1.00 17.14  ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.831 -2.167  -36.305 1.00 16.56  ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.642 -1.048  -37.758 1.00 16.13  ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.115 -2.310  -37.428 1.00 16.02  ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.255 1.026   -34.193 1.00 19.03  ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.243 2.050   -34.522 1.00 18.68  ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.029 2.301   -36.032 1.00 21.38  ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -38.973 2.865   -36.461 1.00 20.76  ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.949 1.643   -33.867 1.00 17.80  ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.008 1.768   -32.383 1.00 16.40  ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.513 3.083   -31.878 1.00 16.49  ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.465 3.188   -31.086 1.00 19.83  ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.909 4.149   -32.366 1.00 15.57  ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -40.997 1.982   -36.847 1.00 20.13  ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.064 2.475   -38.254 1.00 18.26  ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -39.953 1.851   -39.092 1.00 18.85  ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.463 2.456   -40.056 1.00 20.73  ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.200 4.012   -38.353 1.00 18.13  ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.784 4.402   -39.710 1.00 16.73  ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.625 3.726   -40.282 1.00 16.19  ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.276 5.489   -40.326 1.00 17.06  ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.648 0.576   -38.861 1.00 18.82  ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.683 -0.240  -39.626 1.00 20.11  ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.431 -1.318  -40.439 1.00 18.37  ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.507 -1.733  -39.970 1.00 21.03  ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.633 -0.875  -38.691 1.00 20.91  ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.761 0.212   -38.067 1.00 22.03  ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.244 -1.781  -37.613 1.00 22.26  ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.858 -1.804  -41.525 1.00 21.54  ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.398 -2.929  -42.325 1.00 21.70  ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.189 -4.245  -41.559 1.00 23.50  ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.253 -4.311  -40.742 1.00 20.16  ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.782 -2.968  -43.685 1.00 24.47  ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.388 -3.111  -43.611 1.00 27.81  ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.024 -5.247  -41.792 1.00 22.33  ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.873 -6.607  -41.217 1.00 20.69  ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.835 -7.320  -42.041 1.00 22.78  ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.523 -6.924  -43.184 1.00 23.58  ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.195 -7.392  -41.123 1.00 24.94  ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.268 -8.373  -39.928 1.00 27.43  ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.246 -8.515  -39.225 1.00 22.49  ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.397 -8.938  -39.591 1.00 26.82  ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.220 -8.337  -41.415 1.00 19.98  ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.201 -9.183  -42.069 1.00 21.64  ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.159 -10.496 -41.275 1.00 21.30  ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.765 -10.572 -40.197 1.00 21.81  ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.873 -8.476  -42.267 1.00 20.85  ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.128 -8.296  -40.958 1.00 21.89  ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.007 -9.264  -40.198 1.00 22.13  ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.737 -7.101  -40.622 1.00 20.89  ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.525 -11.498 -41.853 1.00 23.33  ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.563 -12.870 -41.286 1.00 25.60  ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.684 -12.928 -40.022 1.00 21.94  ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.859 -13.892 -39.242 1.00 23.11  ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.036 -13.883 -42.306 1.00 28.29  ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.625 -13.611 -42.786 1.00 34.87  ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.139 -14.501 -43.919 1.00 46.41  ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.627 -14.561 -43.986 1.00 49.58  ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.174 -15.413 -45.112 1.00 55.83  ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.795 -11.950 -39.820 1.00 20.73  ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.889 -11.958 -38.624 1.00 20.79  ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.616 -11.444 -37.377 1.00 18.92  ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.175 -11.771 -36.233 1.00 20.20  ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.673 -11.101 -38.906 1.00 22.98  ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.823 -11.539 -40.090 1.00 28.21  ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.606 -10.630 -40.225 1.00 36.92  ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.549 -9.833  -41.203 1.00 45.18  ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.737 -10.655 -39.334 1.00 42.04  ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.628 -10.581 -37.488 1.00 17.57  ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.140 -9.877  -36.299 1.00 16.39  ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.839 -10.822 -35.326 1.00 17.02  ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.700 -11.638 -35.732 1.00 17.94  ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.159 -8.772  -36.676 1.00 16.47  ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.581 -7.641  -37.492 1.00 18.18  ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.494 -6.408  -37.374 1.00 16.91  ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.983 -5.423  -38.297 1.00 18.08  ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.896 -4.684  -38.088 1.00 17.20  ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.252 -4.727  -36.921 1.00 17.11  ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.433 -3.905  -39.046 1.00 21.14  ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.574 -10.722 -34.026 1.00 15.18  ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.372 -11.413 -33.012 1.00 15.62  ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.793 -10.824 -33.038 1.00 19.14  ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.930 -9.620  -32.795 1.00 18.35  ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.724 -11.305 -31.643 1.00 15.53  ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.498 -12.172 -31.499 1.00 14.33  ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.633 -13.524 -31.234 1.00 15.21  ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.232 -11.605 -31.557 1.00 14.58  ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.511 -14.317 -31.087 1.00 15.82  ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.109 -12.412 -31.405 1.00 15.34  ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.267 -13.765 -31.183 1.00 13.80  ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.804 -11.639 -33.282 1.00 18.57  ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.172 -11.096 -33.491 1.00 20.21  ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.912 -10.961 -32.178 1.00 18.15  ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.654 -9.970  -32.033 1.00 22.38  ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.941 -11.953 -34.489 1.00 21.16  ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.063 -13.297 -34.052 1.00 20.64  ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.820 -11.890 -31.253 1.00 17.47  ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.745 -12.018 -30.109 1.00 18.24  ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.258 -11.287 -28.867 1.00 18.75  ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.038 -11.087 -27.904 1.00 21.68  ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.078 -13.478 -29.779 1.00 19.44  ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.989 -14.118 -30.823 1.00 20.57  ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.770 -14.003 -32.030 1.00 24.34  ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.935 -14.906 -30.346 1.00 28.29  ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.936 -11.056 -28.763 1.00 16.26  ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.339 -10.592 -27.508 1.00 14.73  ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.371 -9.441  -27.811 1.00 13.32  ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.822 -9.380  -28.919 1.00 14.69  ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.555 -11.726 -26.828 1.00 14.91  ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.282 -13.053 -26.733 1.00 17.18  ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.407 -13.162 -25.931 1.00 21.19  ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.935 -14.144 -27.503 1.00 17.90  ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -42.099 -14.371 -25.813 1.00 23.45  ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.644 -15.339 -27.449 1.00 19.42  ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.697 -15.459 -26.565 1.00 21.13  ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.364 -16.658 -26.510 1.00 21.53  ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.056 -8.587  -26.813 1.00 14.19  ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.185 -7.422  -27.032 1.00 14.25  ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.672 -7.755  -27.005 1.00 12.45  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.910 -7.208  -26.248 1.00 12.68  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.588 -6.437  -25.899 1.00 15.86  ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.829 -7.048  -25.307 1.00 18.09  ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.688 -8.516  -25.501 1.00 15.20  ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.316 -8.639  -27.940 1.00 12.60  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.957 -9.249  -28.014 1.00 12.46  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.163 -8.665  -29.172 1.00 12.76  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.685 -8.188  -30.215 1.00 12.80  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.094 -10.757 -28.188 1.00 13.36  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.672 -11.432 -27.030 1.00 12.81  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.153 -13.136 -27.402 1.00 14.14  ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.762 -13.731 -25.829 1.00 14.75  ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.838 -8.726  -29.030 1.00 12.64  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.872 -8.267  -30.046 1.00 12.05  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.561 -9.027  -29.828 1.00 12.73  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.238 -9.430  -28.685 1.00 12.46  ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.670 -6.730  -30.011 1.00 13.20  ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.147 -6.238  -28.678 1.00 13.46  ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.793 -6.237  -31.155 1.00 13.55  ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.819 -9.233  -30.899 1.00 11.86  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.473 -9.868  -30.879 1.00 12.34  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.357 -8.856  -31.005 1.00 12.56  ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.503 -7.800  -31.672 1.00 13.54  ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.311 -10.905 -31.984 1.00 13.11  ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.368 -12.002 -32.000 1.00 13.58  ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.093 -13.087 -33.032 1.00 15.94  ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.558 -12.645 -30.629 1.00 13.72  ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.204 -9.171  -30.423 1.00 12.50  ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.960 -8.483  -30.801 1.00 13.25  ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.543 -8.815  -32.229 1.00 13.71  ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.872 -9.883  -32.716 1.00 13.76  ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.800 -7.923  -32.854 1.00 14.78  ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.313 -8.111  -34.235 1.00 17.42  ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.209 -9.149  -34.275 1.00 17.40  ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.073 -9.831  -35.295 1.00 20.95  ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.828 -6.771  -34.741 1.00 18.70  ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.455 -9.263  -33.198 1.00 15.88  ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.258 -10.125 -33.209 1.00 15.89  ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.687 -11.597 -33.175 1.00 18.01  ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.696 -11.980 -32.523 1.00 17.72  ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.384 -9.767  -32.003 1.00 18.31  ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.727 -8.408  -32.115 1.00 20.45  ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.703 -7.259  -31.968 1.00 19.98  ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.650 -7.320  -31.187 1.00 19.61  ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.463 -6.162  -32.655 1.00 21.95  ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.969 -12.454 -33.895 1.00 18.70  ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.101 -13.918 -33.846 1.00 19.01  ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.818 -14.538 -33.297 1.00 16.80  ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.703 -14.109 -33.664 1.00 19.56  ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.285 -14.526 -35.244 1.00 22.69  ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.678 -14.464 -35.864 1.00 32.53  ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.163 -13.040 -36.073 1.00 33.95  ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.172 -12.618 -37.065 1.00 42.35  ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.762 -13.348 -38.016 1.00 40.05  ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.664 -12.778 -38.801 1.00 43.57  ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.500 -14.629 -38.179 1.00 45.46  ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.949 -15.504 -32.419 1.00 15.17  ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.777 -16.129 -31.759 1.00 16.11  ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.830 -17.631 -31.994 1.00 15.18  ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.841 -18.269 -31.703 1.00 14.70  ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.802 -15.799 -30.253 1.00 17.82  ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.787 -14.322 -29.917 1.00 18.69  ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.742 -13.527 -30.362 1.00 20.66  ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.781 -13.738 -29.170 1.00 25.48  ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.668 -12.164 -30.073 1.00 24.00  ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.706 -12.382 -28.865 1.00 21.19  ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.682 -11.603 -29.350 1.00 22.48  ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.730 -18.216 -32.495 0.25 14.66  ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.742 -18.217 -32.512 0.25 16.04  ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.641 -19.676 -32.765 0.25 14.91  ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.642 -19.681 -32.750 0.25 17.26  ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.417 -20.303 -32.074 0.25 14.39  ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.358 -20.242 -32.142 0.25 16.65  ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.278 -21.545 -32.136 0.25 15.10  ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.951 -21.338 -32.548 0.25 16.72  ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.664 -19.932 -34.255 0.25 14.74  ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.665 -19.974 -34.208 0.25 17.94  ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.971 -19.670 -34.789 0.25 14.40  ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.628 -19.259 -34.842 0.25 19.78  ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.598 -19.493 -31.395 0.25 14.29  ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.721 -19.506 -31.239 0.25 17.00  ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.415 -19.960 -30.632 0.25 15.57  ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.447 -19.937 -30.633 0.25 18.31  ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.084 -18.985 -29.504 0.25 16.44  ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -12.975 -18.923 -29.593 0.25 17.98  ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.687 -17.911 -29.456 0.25 16.08  ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.347 -17.732 -29.720 0.25 17.34  ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.216 -20.106 -31.549 0.25 15.79  ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.435 -20.111 -31.737 0.25 19.78  ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.776 -18.836 -31.998 0.25 15.78  ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.176 -20.449 -31.197 0.25 22.36  ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.152 -19.372 -28.636 1.00 18.09  ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.507 -18.451 -27.696 1.00 18.35  ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.352 -18.099 -26.478 1.00 16.21  ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.387 -18.744 -26.218 1.00 17.51  ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.861 -17.093 -25.792 1.00 16.59  ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.448 -16.606 -24.539 1.00 16.73  ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.896 -15.175 -24.810 1.00 16.48  ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.126 -14.372 -25.318 1.00 18.30  ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.418 -16.766 -23.425 1.00 17.77  ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.041 -18.193 -23.023 1.00 18.98  ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.871  -18.260 -21.997 1.00 22.44  ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.478  -19.681 -21.645 1.00 27.06  ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.463  -19.668 -20.564 1.00 30.37  ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.078 -14.812 -24.322 1.00 15.80  ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.704 -13.490 -24.540 1.00 15.30  ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.379 -13.036 -23.264 1.00 14.39  ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.922 -13.855 -22.543 1.00 15.19  ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.813 -13.595 -25.569 1.00 16.10  ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.373 -13.742 -27.022 1.00 17.21  ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.660 -15.356 -27.529 1.00 19.70  ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.849 -16.569 -27.021 1.00 18.29  ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.341 -11.749 -22.985 1.00 14.40  ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.934 -11.174 -21.748 1.00 14.57  ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.539 -9.833  -22.122 1.00 16.51  ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.884 -9.023  -22.834 1.00 16.37  ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.879 -10.984 -20.666 1.00 15.60  ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.393 -10.396 -19.384 1.00 15.40  ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.112 -11.151 -18.477 1.00 15.51  ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.210 -9.047  -19.115 1.00 16.49  ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.625 -10.592 -17.315 1.00 16.99  ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.702 -8.481  -17.957 1.00 16.13  ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.394 -9.249  -17.061 1.00 15.87  ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.895 -8.683  -15.929 1.00 18.44  ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.722 -9.553  -21.628 1.00 13.87  ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.326 -8.205  -21.741 1.00 13.40  ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.222 -7.938  -20.523 1.00 13.94  ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.548 -8.868  -19.759 1.00 14.38  ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.083 -7.993  -23.069 1.00 13.27  ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.242 -8.898  -23.315 1.00 13.11  ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.574 -8.613  -23.117 1.00 13.07  ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.231 -10.189 -23.915 1.00 14.03  ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.355 -9.674  -23.506 1.00 12.89  ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.549 -10.668 -23.977 1.00 13.92  ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.202 -11.023 -24.347 1.00 15.99  ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.878 -11.902 -24.491 1.00 14.40  ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.519 -12.256 -24.846 1.00 17.77  ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.833 -12.700 -24.908 1.00 16.24  ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.610 -6.671  -20.340 1.00 14.09  ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.445 -6.239  -19.194 1.00 13.88  ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.662 -5.464  -19.661 1.00 13.75  ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.568 -4.734  -20.643 1.00 14.67  ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.633 -5.405  -18.200 1.00 15.57  ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.598 -6.265  -17.477 1.00 16.85  ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.706 -5.506  -16.515 1.00 20.80  ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.862 -4.257  -16.438 1.00 25.03  ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.857 -6.176  -15.804 1.00 19.17  ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.765 -5.677  -18.961 1.00 14.01  ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.044 -5.028  -19.280 1.00 12.91  ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.597 -4.335  -18.032 1.00 13.34  ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.700 -4.963  -16.979 1.00 14.53  ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.060 -6.023  -19.850 1.00 13.22  ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.310 -5.333  -20.317 1.00 14.03  ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.473 -6.875  -20.946 1.00 14.25  ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.055 -3.088  -18.191 1.00 13.40  ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.736 -2.289  -17.142 1.00 14.92  ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.210 -2.592  -17.185 1.00 13.61  ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.858 -2.483  -18.294 1.00 14.49  ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.428 -0.800  -17.319 1.00 16.70  ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.857 0.026   -16.110 1.00 19.79  ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.016 0.011   -15.784 1.00 19.31  ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.969 0.505   -15.412 1.00 27.39  ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.773 -2.997  -16.041 1.00 14.14  ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.210 -3.331  -15.885 1.00 14.72  ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.902 -2.429  -14.844 1.00 15.76  ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -30.995 -2.785  -14.356 1.00 15.34  ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.370 -4.831  -15.518 1.00 14.11  ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.801 -5.770  -16.637 1.00 13.85  ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.740 -5.215  -14.188 1.00 14.60  ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.287 -1.311  -14.516 1.00 16.20  ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.758 -0.399  -13.436 1.00 17.51  ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.243 -0.093  -13.626 1.00 18.44  ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.655 0.268   -14.737 1.00 17.69  ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -28.950 0.892   -13.438 1.00 17.59  ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.569 0.657   -13.156 1.00 20.79  ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.510 1.818   -12.372 1.00 21.28  ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -31.987 -0.240  -12.529 1.00 21.67  ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.432 0.087   -12.327 1.00 24.95  ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.358 -0.695  -13.257 1.00 24.80  ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.575 -0.391  -13.303 1.00 27.88  ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.643 1.601   -12.391 1.00 32.79  ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.410 2.217   -13.765 1.00 40.32  ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.359 3.339   -14.138 1.00 45.24  ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -33.968 4.326   -14.777 1.00 46.42  ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.634 3.152   -13.821 1.00 48.59  ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -33.930 -1.761  -13.936 1.00 16.06  ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.920 -2.580  -14.643 1.00 15.27  ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.593 -3.619  -13.740 1.00 14.12  ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -34.918 -4.146  -12.792 1.00 17.34  ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.209 -3.272  -15.815 1.00 15.88  ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.730 -2.274  -16.891 1.00 15.68  ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.218 -2.921  -18.166 1.00 16.33  ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.258 -3.663  -18.955 1.00 15.79  ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.477 -2.845  -19.271 1.00 14.66  ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.820 -3.948  -14.056 1.00 13.86  ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.639 -4.954  -13.347 1.00 14.36  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.535 -6.304  -14.047 1.00 14.40  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.911 -7.334  -13.459 1.00 15.36  ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.118 -4.550  -13.334 1.00 15.37  ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.401 -3.305  -12.523 1.00 17.03  ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.880 -2.899  -12.631 1.00 16.91  ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.313 -2.067  -11.833 1.00 20.29  ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.608 -3.446  -13.503 1.00 20.16  ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.156 -6.332  -15.324 1.00 14.01  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.228 -7.588  -16.094 1.00 13.22  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.221 -7.485  -17.242 1.00 14.81  ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.168 -6.436  -17.938 1.00 15.00  ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.588 -7.883  -16.673 1.00 15.25  ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.499 -8.563  -17.543 1.00 12.64  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.501 -8.635  -18.648 1.00 12.98  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -33.982 -10.053 -18.725 1.00 14.04  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.059 -10.790 -17.740 1.00 12.64  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.349 -7.660  -18.428 1.00 14.06  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.645 -7.681  -17.111 1.00 13.58  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.895 -6.852  -16.063 1.00 14.80  ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.714 -8.649  -16.567 1.00 13.67  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.133 -7.145  -14.977 1.00 14.68  ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.404 -8.280  -15.251 1.00 14.49  ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.054 -9.784  -17.106 1.00 14.16  ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.480 -8.926  -14.442 1.00 14.18  ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.159 -10.451 -16.299 1.00 14.14  ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.898 -10.043 -14.987 1.00 15.52  ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.495 -10.432 -19.898 1.00 12.55  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.706 -11.688 -20.136 1.00 12.22  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.324 -11.258 -20.662 1.00 11.45  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.260 -10.341 -21.503 1.00 12.40  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.333 -12.630 -21.144 1.00 14.00  ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.801 -12.928 -21.023 1.00 14.17  ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.248 -13.123 -19.909 1.00 17.16  ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.470 -13.065 -22.038 1.00 15.16  ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.248 -11.952 -20.294 1.00 10.79  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -28.891 -11.711 -20.845 1.00 11.02  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.194 -13.048 -21.030 1.00 11.30  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.327 -13.972 -20.198 1.00 11.20  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.032 -10.876 -19.917 1.00 11.67  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.408 -9.422  -19.744 1.00 13.20  ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.584 -8.794  -18.632 1.00 12.82  ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.249 -8.673  -21.047 1.00 13.92  ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.366 -13.120 -22.060 1.00 10.72  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.395 -14.229 -22.178 1.00 12.06  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.883 -14.311 -23.606 1.00 10.85  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.501 -13.306 -24.207 1.00 10.89  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.822 -15.545 -24.119 0.25 10.25  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.925 -15.517 -24.156 0.25 11.65  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.428 -15.863 -25.517 0.25 10.20  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.365 -15.812 -25.495 0.25 12.56  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.440 -16.820 -26.128 0.25 10.55  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.267 -16.881 -26.119 0.25 12.08  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.194 -17.526 -25.425 0.25 10.69  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.853 -17.665 -25.378 0.25 12.29  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.015 -16.470 -25.645 0.25 9.70   ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.880 -16.209 -25.348 0.25 14.23  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -22.967 -15.434 -25.291 0.25 9.11   ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.710 -17.584 -24.726 0.25 14.00  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.839 -17.701 -24.768 0.25 9.72   ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.108 -16.088 -26.641 0.25 15.48  ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.403 -16.892 -27.447 1.00 10.89  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.233 -17.869 -28.134 1.00 11.87  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.557 -18.288 -29.428 1.00 11.96  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.678 -17.582 -29.967 1.00 11.92  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.633 -17.339 -28.411 1.00 12.80  ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.737 -15.931 -29.540 1.00 13.61  ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.009 -19.412 -29.954 0.25 12.91  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.990 -19.420 -29.949 0.25 12.03  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.614 -19.838 -31.315 0.25 14.34  ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.534 -19.880 -31.280 0.25 12.72  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.018 -18.776 -32.336 0.25 13.42  ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.062 -18.923 -32.368 0.25 12.71  ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.050 -18.117 -32.195 0.25 13.24  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.248 -18.498 -32.296 0.25 12.36  ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.304 -21.148 -31.680 0.25 16.05  ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.040 -21.306 -31.502 0.25 13.25  ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.810 -22.296 -30.825 0.25 17.79  ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.372 -21.998 -32.678 0.25 13.23  ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.328 -23.623 -31.329 0.25 19.79  ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.953 -23.366 -32.906 0.25 13.23  ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.017 -24.670 -30.366 0.25 19.71  ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.818 -24.175 -31.726 0.25 13.68  ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.876 -25.599 -29.994 0.25 19.40  ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.829 -24.762 -31.078 0.25 12.69  ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.101 -25.603 -30.494 0.25 19.04  ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.054 -24.660 -31.528 0.25 13.76  ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.502 -26.513 -29.117 0.25 21.00  ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.589 -25.447 -29.974 0.25 12.28  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.249 -18.670 -33.406 1.00 13.68  ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.656 -17.746 -34.497 1.00 15.06  ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.949 -18.265 -35.114 1.00 16.33  ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.662 -17.411 -35.710 1.00 20.58  ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.506 -17.619 -35.487 1.00 17.06  ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.146 -18.864 -36.251 1.00 20.28  ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.621 -19.972 -35.909 1.00 23.79  ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.362 -18.684 -37.227 1.00 23.58  ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.256 -19.550 -35.086 1.00 14.52  ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.420 -20.136 -35.780 1.00 17.99  ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.690 -20.228 -34.914 1.00 15.97  ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.609 -20.951 -35.289 1.00 16.95  ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.988 -21.462 -36.327 1.00 18.65  ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.559 -22.317 -35.338 1.00 20.28  ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.740 -19.602 -33.726 1.00 14.27  ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.967 -19.696 -32.903 1.00 14.54  ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.194 -19.211 -33.694 1.00 14.44  ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.091 -18.267 -34.509 1.00 15.50  ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.867 -18.956 -31.552 1.00 13.86  ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.844 -19.620 -30.652 1.00 13.65  ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.643 -17.467 -31.695 1.00 13.87  ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.313 -19.797 -33.343 1.00 16.96  ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.673 -19.369 -33.821 1.00 17.53  ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.875 -17.870 -33.523 1.00 17.60  ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.586 -17.434 -32.427 1.00 17.26  ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.691 -20.229 -33.071 1.00 20.14  ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.159 -19.955 -33.362 1.00 24.20  ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.070 -20.773 -32.464 1.00 26.00  ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.663 -21.741 -31.793 1.00 28.35  ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.345 -20.405 -32.417 1.00 26.62  ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.449 -17.127 -34.474 1.00 16.78  ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.711 -15.666 -34.366 1.00 17.25  ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.225 -15.452 -34.242 1.00 17.20  ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.615 -14.463 -33.641 1.00 17.60  ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.166 -14.896 -35.560 1.00 17.61  ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.694 -15.112 -35.854 1.00 16.61  ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.806 -14.921 -34.623 1.00 17.77  ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.433 -15.332 -34.958 1.00 19.07  ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.529 -14.622 -35.605 1.00 17.67  ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.783 -13.398 -36.022 1.00 18.10  ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.351 -15.142 -35.873 1.00 19.46  ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.046 -16.323 -34.832 1.00 17.39  ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.503 -16.046 -34.983 1.00 18.15  ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.317 -16.944 -34.072 1.00 19.46  ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.980 -18.161 -33.975 1.00 21.96  ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.943 -16.210 -36.443 1.00 18.73  ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.119 -15.482 -37.477 1.00 20.61  ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.102 -13.964 -37.260 1.00 21.42  ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.297 -13.289 -38.318 1.00 20.93  ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.236 -11.825 -38.094 1.00 22.08  ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.369 -16.417 -33.484 1.00 19.71  ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.282 -17.194 -32.651 1.00 21.71  ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.777 -17.398 -31.245 1.00 21.45  ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.799 -16.656 -30.817 1.00 21.08  ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.426 -18.301 -30.507 1.00 20.69  ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.193 -18.519 -29.075 1.00 22.81  ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.118 -19.586 -28.907 1.00 22.08  ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.003 -20.480 -29.756 1.00 22.69  ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.488 -18.933 -28.363 1.00 28.04  ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.533 -17.841 -28.433 1.00 33.67  ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.901 -18.342 -28.076 1.00 42.04  ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.269 -18.368 -26.905 1.00 53.23  ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.645 -18.743 -29.097 1.00 45.02  ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.252 -19.379 -27.928 1.00 18.48  ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.205 -20.350 -27.547 1.00 18.04  ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.725 -20.028 -26.138 1.00 18.21  ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.896 -18.896 -25.632 1.00 19.20  ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.024 -20.317 -28.523 1.00 17.60  ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.394 -18.952 -28.669 1.00 16.76  ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.396 -18.545 -27.791 1.00 17.19  ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.776 -18.097 -29.674 1.00 17.95  ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.807 -17.306 -27.935 1.00 15.68  ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.162 -16.858 -29.841 1.00 17.12  ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.188 -16.476 -28.946 1.00 16.44  ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.147 -21.029 -25.480 0.35 18.96  ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.136 -21.038 -25.503 0.38 18.50  ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.516 -20.883 -24.147 0.35 19.19  ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.500 -20.943 -24.169 0.38 18.37  ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -36.999 -20.740 -24.306 0.35 17.44  ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.988 -20.735 -24.325 0.38 16.91  ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.419 -21.347 -25.224 0.35 17.41  ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.398 -21.281 -25.284 0.38 16.67  ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.848 -22.037 -23.257 0.35 22.57  ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.794 -22.164 -23.347 0.38 21.21  ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.792 -23.244 -23.991 0.35 25.40  ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.193 -22.267 -23.098 0.38 22.12  ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.390 -19.955 -23.422 1.00 15.90  ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.922 -19.848 -23.347 1.00 15.98  ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.394 -21.102 -22.656 1.00 15.66  ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.563 -21.269 -21.431 1.00 19.70  ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.528 -18.606 -22.556 1.00 15.37  ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -34.935 -17.268 -23.164 1.00 15.75  ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.440 -16.131 -22.276 1.00 16.55  ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.441 -17.102 -24.584 1.00 17.12  ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.700 -21.990 -23.380 1.00 15.05  ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.092 -23.219 -22.831 1.00 14.61  ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.889 -23.569 -23.685 1.00 13.76  ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.843 -23.204 -24.853 1.00 14.35  ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.049 -24.384 -22.842 1.00 15.71  ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.408 -24.702 -24.186 1.00 19.48  ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.947 -24.329 -23.130 1.00 13.07  ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.844 -24.818 -23.968 1.00 13.75  ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.329 -25.684 -25.128 1.00 14.67  ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.740 -25.584 -26.223 1.00 14.75  ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.931 -25.557 -22.970 1.00 15.56  ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.241 -24.848 -21.648 1.00 16.48  ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.727 -24.608 -21.699 1.00 15.72  ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.393 -26.453 -24.923 1.00 15.52  ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.953 -27.284 -26.037 1.00 17.58  ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.376 -26.396 -27.207 1.00 17.17  ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.271 -26.823 -28.381 1.00 19.44  ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.128 -28.142 -25.575 1.00 22.96  ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.819 -28.906 -24.312 1.00 34.81  ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.281 -28.234 -23.021 1.00 39.31  ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.432 -27.566 -22.329 1.00 26.39  ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.496 -28.437 -22.678 1.00 50.61  ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.870 -25.185 -26.933 1.00 16.38  ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.288 -24.244 -28.005 1.00 15.31  ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.124 -23.349 -28.428 1.00 14.43  ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.320 -22.470 -29.284 1.00 15.74  ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.489 -23.403 -27.528 1.00 16.70  ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.781 -24.187 -27.530 1.00 20.34  ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.883 -25.243 -28.192 1.00 21.22  ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.741 -23.753 -26.726 1.00 20.27  ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.922 -23.503 -27.870 1.00 13.24  ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.767 -22.709 -28.324 1.00 12.88  ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.461 -21.437 -27.526 1.00 11.57  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.781 -20.563 -28.050 1.00 12.70  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.886 -21.382 -26.258 1.00 12.46  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.680 -20.185 -25.412 1.00 11.12  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -28.988 -20.556 -24.102 1.00 11.05  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.442 -21.564 -23.473 1.00 12.54  ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.038 -19.530 -25.068 1.00 11.90  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.849 -19.029 -26.245 1.00 11.75  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.746 -19.871 -26.870 1.00 12.93  ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.719 -17.736 -26.704 1.00 12.16  ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.511 -19.416 -27.932 1.00 13.96  ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.481 -17.282 -27.767 1.00 12.93  ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.350 -18.125 -28.379 1.00 13.44  ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.059 -19.724 -23.665 1.00 10.44  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.347 -19.823 -22.376 1.00 10.48  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.482 -18.471 -21.667 1.00 9.86   ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.778 -17.522 -22.033 1.00 11.17  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.897 -20.283 -22.551 1.00 10.88  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.837 -21.671 -23.132 1.00 10.70  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.741 -22.861 -22.462 1.00 12.29  ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.865 -22.006 -24.543 1.00 11.96  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.761 -23.910 -23.380 1.00 12.82  ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.851 -23.408 -24.645 1.00 12.91  ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.919 -21.232 -25.689 1.00 11.75  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.894 -24.054 -25.880 1.00 12.94  ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.979 -21.881 -26.917 1.00 13.82  ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -25.990 -23.254 -26.999 1.00 13.14  ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.479 -18.376 -20.794 1.00 11.02  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -28.996 -17.067 -20.319 1.00 11.02  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.312 -17.116 -18.814 1.00 10.84  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.551 -18.177 -18.248 1.00 11.30  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.260 -16.636 -21.071 1.00 11.27  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.301 -17.571 -20.836 1.00 11.98  ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -29.971 -16.435 -22.548 1.00 12.14  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.374 -15.934 -18.213 1.00 10.98  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.002 -15.668 -16.882 1.00 10.98  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.010 -14.549 -17.095 1.00 11.42  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -30.916 -13.791 -18.081 1.00 10.87  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -28.960 -15.368 -15.777 1.00 11.41  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.268 -14.012 -15.976 1.00 12.31  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -27.958 -16.503 -15.685 1.00 11.99  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.435 -13.531 -14.800 1.00 12.98  ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.852 -14.377 -16.080 1.00 11.25  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.869 -13.309 -16.132 1.00 11.37  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.302 -12.859 -14.755 1.00 12.84  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.091 -13.556 -13.760 1.00 13.02  ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.040 -13.733 -16.963 1.00 13.26  ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.815 -14.898 -16.449 1.00 14.26  ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.739 -14.937 -15.442 1.00 14.72  ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -34.882 -16.149 -17.101 1.00 14.39  ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.344 -16.157 -15.411 1.00 16.92  ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -35.813 -16.937 -16.398 1.00 15.85  ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.182 -16.687 -18.182 1.00 15.30  ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.110 -18.240 -16.804 1.00 17.76  ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.494 -17.951 -18.593 1.00 17.15  ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.448 -18.701 -17.914 1.00 15.95  ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.886 -11.648 -14.758 1.00 12.33  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.662 -11.110 -13.634 1.00 12.49  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.123 -11.106 -14.052 1.00 12.66  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.446 -10.596 -15.112 1.00 12.59  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.198 -9.707  -13.307 1.00 12.32  ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.041 -8.949  -12.264 1.00 12.99  ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.050 -9.657  -10.919 1.00 14.18  ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.571 -7.516  -12.144 1.00 14.28  ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.009 -11.574 -13.159 1.00 13.87  ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.466 -11.601 -13.393 1.00 16.47  ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.144 -11.588 -12.025 1.00 17.51  ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.849 -12.457 -11.188 1.00 17.38  ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.859 -12.883 -14.164 1.00 19.51  ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.318 -13.034 -14.349 1.00 23.94  ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.162 -13.920 -13.737 1.00 25.56  ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.126 -12.171 -15.156 1.00 23.57  ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.440 -13.698 -14.172 1.00 27.24  ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.450 -12.653 -15.042 1.00 25.09  ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -40.857 -11.086 -15.987 1.00 24.08  ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.509 -12.073 -15.726 1.00 31.26  ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -41.913 -10.491 -16.642 1.00 30.80  ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.226 -10.958 -16.478 1.00 31.49  ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.011 -10.594 -11.774 1.00 16.48  ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.840 -10.581 -10.521 1.00 17.12  ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -39.979 -10.780 -9.297  1.00 18.85  ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.342 -11.687 -8.415  1.00 20.87  ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -41.954 -11.605 -10.647 1.00 19.07  ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -42.877 -11.258 -11.791 1.00 20.19  ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.177 -12.021 -11.842 1.00 23.59  ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.101 -11.672 -12.609 1.00 24.88  ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.232 -13.100 -11.076 1.00 22.68  ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -38.931 -9.986  -9.159  1.00 18.02  ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.076 -9.986  -7.957  1.00 25.13  ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.295 -11.297 -7.754  1.00 23.29  ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.704 -11.464 -6.684  1.00 30.59  ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -38.953 -9.801  -6.707  1.00 29.19  ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.932 -8.390  -6.217  1.00 39.63  ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.811 -7.834  -6.130  1.00 52.94  ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -40.027 -7.890  -5.878  1.00 50.17  ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.229 -12.184 -8.733  1.00 18.59  ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.376 -13.396 -8.640  1.00 19.63  ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.408 -13.459 -9.824  1.00 16.97  ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.768 -13.127 -10.986 1.00 16.90  ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.235 -14.604 -8.458  1.00 26.48  ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.659 -15.112 -9.688  1.00 36.84  ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.196 -13.875 -9.534  1.00 15.03  ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.179 -14.124 -10.591 1.00 13.83  ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.137 -15.620 -10.850 1.00 13.88  ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.123 -16.416 -9.893  1.00 14.33  ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.827 -13.625 -10.130 1.00 13.49  ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.759 -12.126 -9.899  1.00 15.01  ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.055 -11.584 -8.666  1.00 16.26  ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.391 -11.244 -10.902 1.00 14.25  ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -31.917 -10.223 -8.423  1.00 16.98  ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.325 -9.879  -10.690 1.00 15.00  ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.602 -9.359  -9.441  1.00 16.71  ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.561 -8.009  -9.197  1.00 17.50  ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.122 -16.032 -12.121 0.25 12.93  ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.107 -16.006 -12.126 0.25 13.55  ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.139 -17.464 -12.515 0.25 13.00  ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.129 -17.421 -12.561 0.25 13.93  ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.214 -17.707 -13.710 0.25 11.65  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.068 -17.646 -13.647 0.25 11.82  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.112 -16.840 -14.592 0.25 11.81  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.664 -16.686 -14.364 0.25 10.86  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.548 -17.932 -12.865 0.25 13.43  ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.514 -17.824 -13.066 0.25 15.54  ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.535 -17.756 -11.724 0.25 14.29  ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.643 -17.550 -12.075 0.25 17.82  ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -36.958 -18.139 -12.081 0.25 15.08  ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.945 -18.670 -11.094 0.25 20.00  ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.401 -17.799 -13.187 0.25 16.35  ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.305 -19.718 -11.189 0.25 23.95  ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.632 -18.801 -11.250 0.25 15.81  ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.860 -18.494 -10.274 0.25 24.50  ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.598 -18.890 -13.747 1.00 12.05  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.805 -19.330 -14.894 1.00 11.82  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.701 -20.107 -15.836 1.00 13.08  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.521 -20.937 -15.409 1.00 13.64  ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.592 -20.148 -14.470 1.00 13.03  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.508 -19.886 -17.138 1.00 13.11  ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.336 -20.499 -18.200 1.00 14.48  ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -31.989 -21.931 -18.525 1.00 14.52  ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.764 -22.285 -19.665 1.00 15.01  ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -31.893 -22.800 -17.534 1.00 15.49  ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -31.941 -24.263 -17.699 1.00 16.41  ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.396 -24.664 -17.982 1.00 17.76  ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.289 -23.823 -17.839 1.00 18.74  ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.360 -24.900 -16.450 1.00 16.12  ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.093 -24.406 -15.320 1.00 14.69  ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -29.908 -24.587 -16.209 1.00 17.87  ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.642 -25.925 -18.330 1.00 20.16  ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.026 -26.407 -18.511 1.00 22.93  ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.250 -27.593 -17.577 1.00 23.27  ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.631 -28.640 -17.729 1.00 24.68  ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.296 -26.746 -19.967 1.00 27.29  ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.632 -27.235 -20.106 1.00 31.88  ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.038 -27.433 -16.508 1.00 21.88  ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.676 -26.185 -16.124 1.00 23.79  ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.656 -25.229 -15.482 1.00 20.63  ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.529 -25.599 -15.182 1.00 18.98  ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.731 -26.665 -15.126 1.00 27.19  ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.033 -27.833 -14.414 1.00 26.33  ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.245 -28.516 -15.517 1.00 25.54  ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.062 -23.989 -15.281 1.00 19.57  ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.150 -22.918 -14.840 1.00 18.41  ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.669 -23.157 -13.405 1.00 16.21  ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.363 -23.833 -12.615 1.00 16.85  ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -35.807 -21.548 -15.068 1.00 22.12  ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -36.906 -21.161 -14.104 1.00 25.57  ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.288 -21.488 -14.617 1.00 30.96  ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.511 -22.454 -15.349 1.00 30.92  ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.238 -20.671 -14.210 1.00 38.83  ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.532 -22.575 -13.068 1.00 14.42  ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.808 -22.731 -11.796 1.00 13.61  ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.863 -21.428 -11.002 1.00 13.63  ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.413 -20.375 -11.505 1.00 14.23  ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.368 -23.218 -12.036 1.00 14.01  ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.467 -24.445 -12.738 1.00 15.81  ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.611 -23.370 -10.731 1.00 14.40  ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.290 -21.465 -9.741  1.00 14.85  ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.223 -20.318 -8.818  1.00 14.94  ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.792 -19.875 -8.565  1.00 14.88  ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.899 -20.753 -8.263  1.00 17.04  ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.882 -20.769 -7.503  1.00 17.21  ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.247 -21.059 -7.765  1.00 20.26  ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.696 -19.732 -6.432  1.00 20.93  ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.506 -18.585 -8.681  1.00 13.63  ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.197 -17.999 -8.395  1.00 13.16  ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.269 -17.372 -6.991  1.00 16.51  ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.382 -17.024 -6.533  1.00 21.88  ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.752 -16.943 -9.423  1.00 13.71  ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.663 -17.492 -10.861 1.00 12.99  ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.407 -16.378 -11.860 1.00 13.77  ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.559 -18.563 -10.962 1.00 14.12  ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.163 -17.334 -6.284  1.00 16.19  ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.048 -16.848 -4.893  1.00 16.02  ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.185 -15.601 -4.918  1.00 18.21  ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -26.944 -15.701 -4.887  1.00 24.76  ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.437 -17.955 -4.001  1.00 17.04  ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.233 -19.229 -3.965  1.00 17.70  ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.934 -20.330 -4.781  1.00 22.22  ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.316 -19.580 -3.261  1.00 20.53  ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.838 -21.261 -4.571  1.00 22.86  ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.643 -20.875 -3.627  1.00 20.92  ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.795 -14.463 -5.108  1.00 21.40  ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.065 -13.181 -5.231  1.00 21.45  ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.359 -12.332 -3.969  1.00 23.76  ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.526 -12.109 -3.694  1.00 28.34  ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.547 -12.527 -6.536  1.00 23.26  ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.011 -13.329 -7.742  1.00 22.40  ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.187 -11.052 -6.525  1.00 28.22  ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.169 -12.641 -9.092  1.00 22.09  ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.335 -11.989 -3.208  1.00 26.52  ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.508 -11.205 -1.942  1.00 32.37  ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.554 -9.707  -2.280  1.00 27.56  ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.345 -8.961  -1.644  1.00 28.20  ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.410 -11.616 -0.956  1.00 38.54  ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.369 -10.783 0.326   1.00 51.46  ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -27.634 -10.847 1.159   1.00 60.04  ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.508 -11.694 0.964   1.00 68.40  ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -27.752 -9.930  2.107   1.00 67.78  ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -26.818 -9.301  -3.307  1.00 24.41  ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.676 -7.866  -3.704  1.00 20.39  ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.282 -7.674  -5.085  1.00 20.37  ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.685 -8.178  -6.037  1.00 20.35  ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.212 -7.431  -3.699  1.00 22.24  ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.031 -5.991  -4.167  1.00 23.37  ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.604 -7.605  -2.313  1.00 26.66  ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.497 -7.123  -5.258  1.00 19.21  ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.091 -7.005  -6.593  1.00 19.62  ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.108 -6.335  -7.539  1.00 20.17  ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.623 -5.265  -7.289  1.00 20.25  ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.375 -6.192  -6.347  1.00 22.86  ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.759 -6.599  -4.916  1.00 22.28  ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.452 -6.693  -4.205  1.00 21.69  ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.715 -6.969  -8.663  1.00 16.85  ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.724 -6.390  -9.543  1.00 16.67  ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.197 -5.183  -10.344 1.00 16.05  ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.298 -5.232  -10.859 1.00 17.40  ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.341 -7.562  -10.470 1.00 18.13  ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.463 -8.524  -10.367 1.00 19.05  ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.080 -8.360  -9.005  1.00 17.74  ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.336 -4.187  -10.472 1.00 16.95  ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.565 -3.076  -11.421 1.00 17.53  ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.786 -3.315  -12.718 1.00 16.58  ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.141 -2.761  -13.736 1.00 15.25  ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.156 -1.737  -10.848 1.00 21.47  ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.165 -1.299  -9.406  1.00 28.62  ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.705 -4.107  -12.685 0.25 15.98  ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.788 -4.195  -12.660 0.25 16.05  ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -23.940 -4.513  -13.899 0.25 16.80  ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -23.916 -4.549  -13.802 0.25 17.19  ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.554 -5.993  -13.785 0.25 15.75  ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.672 -6.060  -13.738 0.25 16.07  ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.113 -6.441  -12.703 0.25 14.11  ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.559 -6.630  -12.620 0.25 14.28  ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.667 -3.696  -14.144 0.25 18.90  ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.635 -3.714  -13.781 0.25 19.62  ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.889 -2.207  -14.383 0.25 20.85  ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -22.880 -2.235  -14.048 0.25 21.91  ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.823 -1.443  -13.084 0.25 23.42  ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.629 -1.467  -14.393 0.25 23.37  ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.107 -1.825  -12.159 0.25 23.46  ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.514 -1.982  -14.338 0.25 27.96  ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.593 -0.367  -12.999 0.25 23.46  ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.813 -0.214  -14.756 0.25 26.62  ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.707 -6.699  -14.910 1.00 14.84  ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.535 -8.175  -15.058 1.00 15.02  ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.327 -8.358  -15.978 1.00 14.93  ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.262 -7.758  -17.091 1.00 14.29  ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.784 -8.815  -15.668 1.00 15.48  ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.062 -8.600  -14.849 1.00 19.91  ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.508 -10.297 -15.950 1.00 16.03  ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.109 -9.372  -13.624 1.00 19.29  ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.374 -9.208  -15.592 1.00 14.41  ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.325 -9.652  -16.508 1.00 13.71  ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.629 -11.036 -17.058 1.00 13.74  ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.160 -11.906 -16.367 1.00 13.84  ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.387 -11.192 -18.360 1.00 13.73  ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.648 -12.447 -19.107 1.00 12.67  ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.333 -12.939 -19.704 1.00 12.84  ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.668 -12.181 -20.433 1.00 13.72  ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.697 -12.221 -20.207 1.00 13.89  ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -22.990 -11.699 -19.584 1.00 16.09  ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -21.937 -13.496 -21.015 1.00 14.88  ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.017 -11.316 -20.548 1.00 19.92  ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -18.975 -14.156 -19.337 1.00 13.42  ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.730 -14.805 -19.806 1.00 12.92  ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.101 -16.053 -20.608 1.00 12.75  ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.849 -16.919 -20.116 1.00 13.66  ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.838 -15.197 -18.632 1.00 14.19  ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.589 -15.960 -18.999 1.00 14.94  ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.561 -15.341 -19.664 1.00 16.82  ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.446 -17.295 -18.650 1.00 17.50  ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.399 -16.052 -19.964 1.00 19.24  ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.302 -18.014 -18.977 1.00 17.63  ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.279 -17.375 -19.627 1.00 16.91  ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.507 -16.185 -21.800 1.00 13.09  ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.633 -17.379 -22.656 1.00 12.86  ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.264 -17.982 -22.940 1.00 11.79  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.390 -17.271 -23.403 1.00 14.42  ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.394 -17.070 -23.954 1.00 14.00  ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.558 -18.328 -24.808 1.00 16.18  ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.750 -16.410 -23.658 1.00 15.64  ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.124 -19.262 -22.640 1.00 12.65  ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -14.939 -20.051 -23.100 1.00 13.99  ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.455 -21.074 -24.090 1.00 13.14  ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.065 -22.048 -23.702 1.00 13.93  ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.196 -20.633 -21.936 1.00 14.16  ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -12.940 -21.403 -22.336 1.00 17.58  ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.862 -21.882 -23.491 1.00 19.11  ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.112 -21.558 -21.391 1.00 22.69  ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.269 -20.797 -25.390 1.00 15.11  ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.862 -21.634 -26.449 1.00 13.61  ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.318 -23.075 -26.364 1.00 15.64  ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.066 -24.030 -26.309 1.00 16.89  ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.605 -21.016 -27.828 1.00 15.63  ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.563 -21.595 -28.837 1.00 14.71  ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.400 -22.874 -29.349 1.00 15.39  ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.703 -20.926 -29.252 1.00 14.70  ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.328 -23.464 -30.173 1.00 15.47  ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.627 -21.501 -30.103 1.00 15.02  ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.432 -22.766 -30.624 1.00 14.13  ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.350 -23.382 -31.424 1.00 14.91  ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.006 -23.172 -26.272 1.00 17.57  ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.378 -24.520 -26.289 1.00 18.06  ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.797 -25.320 -25.066 1.00 17.66  ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.100 -26.524 -25.238 1.00 20.68  ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.863 -24.420 -26.456 1.00 20.01  ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.476 -24.313 -27.947 1.00 26.92  ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.808 -22.959 -28.478 1.00 29.01  ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.041 -22.855 -29.629 1.00 26.95  ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.857 -21.994 -27.656 1.00 31.38  ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.845 -24.710 -23.886 1.00 16.23  ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.196 -25.419 -22.648 1.00 16.30  ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.700 -25.719 -22.570 1.00 17.01  ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.104 -26.566 -21.756 1.00 19.63  ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.769 -24.598 -21.447 1.00 18.75  ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.549 -25.056 -23.364 1.00 14.12  ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.001 -25.188 -23.264 1.00 14.54  ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.553 -24.552 -21.969 1.00 12.83  ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.349 -25.254 -21.278 1.00 13.62  ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.142 -23.328 -21.677 1.00 13.87  ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.534 -22.627 -20.414 1.00 12.96  ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.128 -21.272 -20.774 1.00 12.74  ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.525 -20.495 -21.540 1.00 14.07  ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.296 -22.458 -19.524 1.00 14.37  ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.543 -21.507 -18.341 1.00 15.48  ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.808 -23.824 -19.063 1.00 17.29  ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.216 -20.969 -20.077 1.00 12.88  ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.778 -19.587 -19.991 1.00 11.86  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -20.973 -19.238 -18.512 1.00 11.22  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.741 -19.963 -17.827 1.00 12.49  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.103 -19.462 -20.756 1.00 12.84  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.593 -18.017 -20.725 1.00 12.79  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -21.979 -19.979 -22.170 1.00 13.32  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.323 -18.189 -18.048 1.00 12.30  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.407 -17.754 -16.639 1.00 13.15  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.869 -16.302 -16.549 1.00 12.26  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.581 -15.487 -17.421 1.00 12.71  ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.081 -17.931 -15.952 1.00 12.80  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.716 -19.308 -15.838 1.00 13.95  ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.569 -16.020 -15.451 1.00 11.58  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.189 -14.727 -15.144 1.00 12.42  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.634 -14.245 -13.808 1.00 12.55  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.638 -15.048 -12.843 1.00 12.71  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.719 -14.825 -15.138 1.00 12.45  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.290 -15.259 -16.454 1.00 11.32  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.342 -16.588 -16.839 1.00 11.77  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.819 -14.286 -17.295 1.00 12.34  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.877 -16.952 -18.070 1.00 11.54  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.310 -14.653 -18.540 1.00 11.83  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.356 -15.985 -18.911 1.00 11.10  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.304 -12.974 -13.739 1.00 13.35  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.630 -12.357 -12.569 1.00 14.01  ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.394 -11.100 -12.158 1.00 16.23  ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -21.879 -10.309 -12.971 1.00 14.81  ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.168 -12.055 -12.861 1.00 14.70  ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.361 -13.293 -13.125 1.00 15.15  ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -17.881 -14.061 -12.099 1.00 15.14  ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.164 -13.759 -14.410 1.00 16.24  ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.222 -15.251 -12.341 1.00 16.35  ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.510 -14.947 -14.674 1.00 15.97  ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -16.971 -15.680 -13.633 1.00 16.68  ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.326 -16.872 -13.890 1.00 19.30  ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.414 -10.848 -10.855 1.00 16.10  ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.129 -9.694  -10.239 1.00 16.00  ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.122 -8.572  -10.039 1.00 15.60  ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.311 -8.605  -9.081  1.00 17.44  ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.776 -10.107 -8.920  1.00 15.25  ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.580 -9.004  -8.253  1.00 15.68  ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.380 -7.855  -8.623  1.00 17.27  ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.506 -9.400  -7.414  1.00 17.02  ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.057 -7.596  -10.927 1.00 16.75  ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -19.970 -6.590  -10.911 1.00 17.61  ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.210 -5.660  -9.699  1.00 18.05  ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.209 -5.214  -9.093  1.00 22.38  ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -19.958 -5.819  -12.234 1.00 18.45  ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.794 -6.731  -13.460 1.00 19.53  ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -18.910 -4.710  -12.260 1.00 21.84  ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.729 -7.749  -13.326 1.00 22.62  ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.455 -5.475  -9.305  1.00 17.86  ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.848 -4.621  -8.131  1.00 18.83  ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.281 -5.242  -6.856  1.00 22.31  ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -20.841 -4.456  -5.990  1.00 27.38  ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.374 -4.465  -8.081  1.00 18.84  ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.761 -3.986  -9.371  1.00 19.42  ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.773 -3.474  -7.003  1.00 20.33  ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.204 -6.566  -6.757  1.00 20.59  ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.706 -7.342  -5.587  1.00 21.99  ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.288 -7.871  -5.856  1.00 21.35  ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.054 -9.063  -5.647  1.00 23.06  ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.743 -8.372  -5.211  1.00 21.17  ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.368 -9.149  -3.973  1.00 27.35  ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -20.872 -8.491  -3.044  1.00 26.58  ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.553 -10.382 -3.975  1.00 26.53  ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.385 -7.019  -6.327  1.00 24.51  ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -16.931 -7.321  -6.408  1.00 28.84  ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.690 -8.496  -7.369  1.00 28.79  ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.690 -9.203  -7.230  1.00 29.95  ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.346 -7.644  -5.022  1.00 34.98  ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.682 -6.675  -3.928  1.00 47.42  ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.308 -5.336  -3.975  1.00 53.99  ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.317 -6.856  -2.746  1.00 51.71  ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.724 -4.728  -2.878  1.00 58.13  ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.343 -5.643  -2.101  1.00 56.75  ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.581 -8.712  -8.339  1.00 22.97  ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.392 -9.783  -9.340  1.00 19.92  ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.790 -11.163 -8.867  1.00 17.84  ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.248 -12.096 -9.437  1.00 18.99  ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.624 -11.296 -7.844  1.00 18.39  ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.004 -12.615 -7.289  1.00 15.81  ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.673 -13.469 -8.372  1.00 15.95  ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.448 -12.933 -9.217  1.00 16.19  ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.877 -12.510 -6.069  1.00 17.08  ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.062 -11.733 -6.254  1.00 19.17  ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.455 -14.755 -8.367  1.00 15.62  ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.131 -15.652 -9.340  1.00 13.52  ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.623 -15.681 -9.097  1.00 14.19  ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.143 -15.904 -7.967  1.00 15.03  ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.555 -17.069 -9.208  1.00 13.96  ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.123 -18.125 -10.164 1.00 14.25  ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.715 -17.832 -11.590 1.00 15.02  ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.552 -19.510 -9.751  1.00 15.86  ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.403 -15.556 -10.182 1.00 12.92  ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.849 -15.777 -10.236 1.00 13.61  ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.190 -17.198 -10.674 1.00 12.28  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.012 -17.878 -10.052 1.00 12.72  ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.534 -14.702 -11.113 1.00 13.47  ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.372 -13.301 -10.528 1.00 14.07  ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.015 -15.032 -11.307 1.00 13.89  ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.786 -12.194 -11.490 1.00 14.89  ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.633 -17.633 -11.807 1.00 12.83  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.025 -18.936 -12.386 1.00 11.66  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -22.998 -19.325 -13.447 1.00 12.13  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.507 -18.458 -14.187 1.00 11.89  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.393 -18.876 -13.110 1.00 11.87  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -25.939 -20.224 -13.418 1.00 11.67  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.559 -21.024 -12.452 1.00 12.21  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.828 -20.772 -14.693 1.00 11.53  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.021 -22.288 -12.756 1.00 13.21  ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.289 -22.036 -14.990 1.00 12.16  ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.835 -22.829 -14.011 1.00 12.80  ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.266 -24.093 -14.269 1.00 14.99  ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.712 -20.627 -13.531 1.00 12.10  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -21.883 -21.233 -14.595 1.00 12.02  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.653 -22.360 -15.271 1.00 12.17  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.062 -23.330 -14.643 1.00 12.75  ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.555 -21.773 -14.053 1.00 12.96  ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.772 -20.667 -13.667 1.00 13.21  ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.821 -22.605 -15.077 1.00 14.17  ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -22.880 -22.221 -16.573 1.00 12.84  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.266 -23.328 -17.489 1.00 12.09  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -21.964 -24.008 -17.908 1.00 12.25  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.102 -23.364 -18.482 1.00 12.64  ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -23.942 -22.796 -18.761 1.00 12.13  ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.326 -22.203 -18.587 1.00 10.73  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.474 -20.845 -18.357 1.00 11.67  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.452 -22.977 -18.752 1.00 12.45  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.733 -20.296 -18.257 1.00 11.76  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.741 -22.420 -18.656 1.00 12.63  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.858 -21.063 -18.437 1.00 11.14  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.875 -25.298 -17.621 1.00 13.74  ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.719 -26.084 -18.084 1.00 14.75  ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.231 -27.231 -18.946 1.00 14.82  ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.402 -27.502 -19.022 1.00 16.61  ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -19.880 -26.482 -16.939 1.00 17.04  ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.505 -27.452 -16.168 1.00 20.35  ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.289 -27.888 -19.644 1.00 16.08  ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.643 -28.980 -20.590 1.00 18.11  ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.607 -28.456 -21.664 1.00 17.27  ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.543 -29.170 -22.096 1.00 19.13  ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.293 -30.169 -19.877 1.00 22.10  ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.509 -30.682 -18.696 1.00 28.91  ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.070 -32.011 -18.231 1.00 38.78  ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.222 -32.037 -17.738 1.00 44.12  ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.385 -33.023 -18.445 1.00 47.70  ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.391 -27.209 -22.076 1.00 15.63  ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.298 -26.572 -23.054 1.00 14.83  ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.077 -27.230 -24.422 1.00 16.21  ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.894 -27.423 -24.831 1.00 17.73  ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.100 -25.068 -23.198 1.00 13.18  ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.530 -24.123 -21.714 1.00 14.50  ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.141 -27.442 -25.169 1.00 14.70  ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.018 -27.965 -26.560 1.00 15.58  ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.459 -26.824 -27.472 1.00 13.80  ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.639 -26.734 -27.816 1.00 16.72  ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.814 -29.277 -26.725 1.00 17.80  ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.724 -29.754 -28.181 1.00 19.07  ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.284 -30.328 -25.756 1.00 19.74  ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.559 -25.910 -27.810 1.00 13.81  ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.917 -24.688 -28.556 1.00 13.86  ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.519 -25.040 -29.909 1.00 15.76  ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.506 -24.423 -30.352 1.00 15.62  ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.749 -23.720 -28.576 1.00 14.63  ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.287 -23.214 -27.229 1.00 12.44  ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.214 -22.726 -26.311 1.00 13.15  ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.950 -23.219 -26.878 1.00 15.22  ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.788 -22.274 -25.061 1.00 13.59  ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.517 -22.725 -25.654 1.00 14.59  ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.449 -22.228 -24.751 1.00 13.54  ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.827 -25.912 -30.637 1.00 14.82  ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.314 -26.475 -31.917 1.00 14.89  ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.450 -25.399 -32.999 1.00 14.51  ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.268 -25.595 -33.948 1.00 15.99  ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.548 -27.277 -31.729 1.00 15.79  ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.674 -24.358 -32.911 1.00 15.24  ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.709 -23.259 -33.892 1.00 15.64  ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.971 -22.040 -33.398 1.00 15.29  ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.524 -21.983 -32.230 1.00 15.15  ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.831 -21.011 -34.228 1.00 14.31  ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.326 -19.727 -33.784 1.00 13.38  ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.284 -19.161 -32.726 1.00 13.87  ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.483 -19.368 -32.806 1.00 14.37  ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.334 -18.827 -35.029 1.00 14.34  ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.510 -19.812 -36.187 1.00 14.26  ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.278 -20.960 -35.641 1.00 13.61  ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.703 -18.433 -31.800 1.00 13.88  ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.464 -17.752 -30.707 1.00 12.31  ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.584 -16.265 -30.982 1.00 14.06  ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.640 -15.628 -31.445 1.00 14.87  ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.763 -17.979 -29.366 1.00 13.14  ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.793 -19.397 -28.811 1.00 13.59  ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.946 -19.466 -27.565 1.00 14.70  ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.214 -19.871 -28.589 1.00 14.89  ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.725 -15.700 -30.578 1.00 12.65  ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.936 -14.239 -30.568 1.00 12.68  ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.347 -13.752 -29.175 1.00 11.16  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.099 -14.448 -28.477 1.00 11.62  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.020 -13.879 -31.591 1.00 13.47  ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.553 -14.281 -33.001 1.00 16.27  ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.453 -13.871 -34.109 1.00 19.48  ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.490 -12.427 -34.244 1.00 17.99  ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.169 -11.803 -35.194 1.00 20.11  ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.785 -12.512 -36.124 1.00 21.25  ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.210 -10.496 -35.201 1.00 18.29  ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.890 -12.561 -28.743 1.00 11.46  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.441 -11.945 -27.527 1.00 10.71  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.950 -11.795 -27.689 1.00 11.22  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.477 -11.472 -28.761 1.00 11.83  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.739 -10.600 -27.460 1.00 11.19  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.469 -10.757 -28.314 1.00 12.25  ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.893 -11.698 -29.409 1.00 13.05  ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.678 -12.058 -26.592 1.00 10.54  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.150 -12.095 -26.565 1.00 11.37  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.675 -11.145 -25.481 1.00 10.18  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.153 -11.149 -24.347 1.00 10.86  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.635 -13.522 -26.307 1.00 11.84  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.136 -13.638 -26.110 1.00 11.47  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -30.972 -13.596 -27.222 1.00 11.99  ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.733 -13.639 -24.843 1.00 12.43  ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.349 -13.648 -27.067 1.00 12.49  ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.114 -13.704 -24.710 1.00 11.97  ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.917 -13.738 -25.830 1.00 12.54  ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.724 -10.372 -25.813 1.00 10.57  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.328 -9.381  -24.907 1.00 10.43  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.844 -9.439  -25.031 1.00 10.73  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.374 -9.523  -26.153 1.00 11.74  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.863 -7.960  -25.288 1.00 11.63  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.357 -7.821  -25.427 1.00 11.40  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.691 -8.118  -26.619 1.00 11.53  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.586 -7.344  -24.376 1.00 13.18  ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.313 -8.051  -26.734 1.00 11.81  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.215 -7.218  -24.510 1.00 13.22  ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.580 -7.572  -25.688 1.00 12.80  ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.513 -9.223  -23.892 1.00 11.63  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -33.979 -8.974  -23.872 1.00 11.10  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.188 -7.843  -22.877 1.00 11.68  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.854 -7.980  -21.705 1.00 12.54  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.778 -10.221 -23.449 1.00 12.41  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.278 -10.058 -23.590 1.00 15.14  ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.779 -8.984  -23.891 1.00 14.80  ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.017 -11.134 -23.370 1.00 16.15  ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.722 -6.705  -23.366 1.00 11.66  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -34.983 -5.559  -22.460 1.00 11.62  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.253 -5.820  -21.619 1.00 14.10  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.503 -4.993  -20.718 1.00 14.43  ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.091 -4.209  -23.207 1.00 13.00  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.805 -3.883  -23.938 1.00 13.84  ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.238 -4.180  -24.186 1.00 13.48  ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.074 -6.808  -22.015 1.00 14.01  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.387 -7.074  -21.362 1.00 14.78  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.481 -6.115  -21.778 1.00 15.58  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.249 -5.059  -22.369 1.00 14.52  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.730 -6.547  -21.547 1.00 16.57  ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.924 -5.700  -21.744 1.00 16.52  ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.977 -4.645  -20.655 1.00 15.06  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.216 -4.731  -19.656 1.00 14.65  ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.217 -6.532  -21.791 1.00 16.66  ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.321 -7.430  -22.993 1.00 17.49  ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.718 -6.904  -24.221 1.00 19.27  ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.017 -8.781  -22.903 1.00 17.67  ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.789 -7.705  -25.341 1.00 17.04  ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.174 -9.595  -24.028 1.00 19.28  ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.569 -9.055  -25.225 1.00 20.05  ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.803 -3.672  -20.894 1.00 16.18  ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -42.950 -2.580  -19.901 1.00 14.31  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.448 -2.394  -19.629 1.00 13.94  ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -44.957 -1.299  -19.767 1.00 16.17  ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.264 -1.319  -20.385 1.00 15.04  ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.294 -0.229  -19.335 1.00 15.81  ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.353 -0.494  -18.129 1.00 15.57  ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.257 0.998   -19.813 1.00 17.52  ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.130 -3.459  -19.260 1.00 15.55  ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.569 -3.385  -18.876 1.00 13.93  ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.747 -2.546  -17.607 1.00 14.50  ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.821 -1.887  -17.455 1.00 15.38  ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.136 -4.800  -18.651 1.00 14.45  ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.228 -5.665  -19.885 1.00 16.57  ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.130 -5.371  -20.892 1.00 21.20  ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.398 -6.760  -20.011 1.00 19.37  ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.148 -6.109  -22.076 1.00 22.30  ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.428 -7.518  -21.188 1.00 19.03  ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.293 -7.179  -22.200 1.00 21.53  ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.377 -7.976  -23.325 1.00 29.34  ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.804 -2.584  -16.678 1.00 13.76  ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.886 -1.948  -15.331 1.00 14.54  ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.582 -0.452  -15.396 1.00 13.55  ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.874 0.264   -14.411 1.00 15.30  ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.936 -2.582  -14.333 1.00 14.56  ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.596 -2.338  -14.795 1.00 15.56  ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -44.917 0.004   -16.455 1.00 14.14  ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.340 1.365   -16.466 1.00 15.09  ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.091 1.500   -15.620 1.00 16.12  ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.543 2.610   -15.549 1.00 18.87  ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.594 0.417   -15.024 1.00 14.59  ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.399 0.454   -14.193 1.00 13.68  ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.175 -0.162  -14.885 1.00 15.07  ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.123 -0.229  -14.206 1.00 15.94  ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.304 -0.596  -16.124 1.00 13.07  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.212 -1.292  -16.831 1.00 12.87  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.758 -0.586  -18.113 1.00 13.34  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.237 -1.247  -19.001 1.00 14.24  ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.605 -2.742  -17.159 1.00 13.15  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.374 -3.599  -17.462 1.00 13.24  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.356 -3.396  -16.828 1.00 14.10  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.557 -4.505  -18.401 1.00 13.79  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.864 0.735   -18.205 1.00 13.17  ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.485 1.469   -19.439 1.00 14.44  ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -36.973 1.587   -19.589 1.00 14.46  ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.541 1.868   -20.735 1.00 16.03  ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.088 2.890   -19.395 1.00 14.64  ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.196 1.447   -18.519 1.00 14.11  ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.745 1.755   -18.575 1.00 14.34  ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.050 0.867   -19.611 1.00 13.87  ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.433 -0.281  -19.859 1.00 13.88  ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.107 1.628   -17.216 1.00 14.55  ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -32.951 1.378   -20.213 1.00 13.53  ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.213 0.608   -21.222 1.00 13.22  ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.276 -0.470  -20.636 1.00 12.99  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -30.947 -0.416  -19.461 1.00 15.16  ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.325 1.683   -21.881 1.00 15.08  ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.109 2.696   -20.845 1.00 16.55  ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.416 2.737   -20.047 1.00 16.54  ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -30.929 -1.441  -21.471 1.00 13.12  ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.686 -2.216  -21.296 1.00 13.08  ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.560 -1.403  -21.937 1.00 13.50  ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.734 -0.901  -23.066 1.00 16.17  ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.834 -3.582  -21.919 1.00 12.90  ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.845 -4.553  -21.296 1.00 14.24  ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.017 -5.823  -22.117 1.00 14.52  ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.459 -4.917  -19.868 1.00 15.71  ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.418 -1.317  -21.268 1.00 13.48  ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.245 -0.567  -21.809 1.00 14.20  ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.013 -1.454  -21.776 1.00 14.29  ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.652 -1.973  -20.670 1.00 15.03  ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -25.986 0.719   -21.018 1.00 16.74  ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.138 1.678   -20.841 1.00 20.21  ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.676 2.980   -20.188 1.00 26.46  ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.819 3.908   -19.857 1.00 30.37  ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.334 5.085   -19.096 1.00 37.52  ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.285 -1.532  -22.863 1.00 14.37  ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -22.955 -2.195  -22.876 1.00 15.45  ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -21.956 -1.256  -22.212 1.00 17.02  ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.818 -0.100  -22.686 1.00 19.12  ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.605 -2.585  -24.315 1.00 15.57  ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.320 -3.837  -24.791 1.00 16.90  ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.478 -3.933  -26.307 1.00 21.79  ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.662 -5.085  -24.198 1.00 15.13  ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.291 -1.722  -21.155 1.00 17.37  ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.375 -0.886  -20.334 1.00 19.42  ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.020 -0.786  -20.989 1.00 21.50  ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.530 -1.722  -21.591 1.00 21.44  ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.087 -1.528  -18.989 1.00 20.95  ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.555 -1.987  -18.076 1.00 22.83  ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.357 0.377   -20.829 1.00 26.11  ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.036 0.586   -21.370 1.00 31.94  ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.066 -0.379  -20.686 1.00 31.05  ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.259 -0.683  -19.497 1.00 30.98  ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.780 2.081   -21.081 1.00 30.91  ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.685 2.423   -19.932 1.00 34.00  ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.910 1.565   -20.157 1.00 29.36  ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.117 -0.848  -21.489 1.00 34.62  ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.846 -1.529  -21.135 1.00 41.93  ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -12.953 -0.581  -20.327 1.00 45.10  ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.278 -1.063  -19.421 1.00 53.61  ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.155 -1.911  -22.451 1.00 40.41  ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.556 -3.373  -22.920 1.00 35.19  ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.260 -3.178  -23.336 1.00 24.95  ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.383 -4.002  -23.958 1.00 42.91  ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.409 -3.203  -25.119 1.00 50.43  ? 201 EDO B O2  1 
HETATM 1571 N N1  . NUY C 3 .   ? -37.761 -13.557 -19.688 0.73 16.76  ? 202 NUY B N1  1 
HETATM 1572 C C4  . NUY C 3 .   ? -37.945 -14.650 -18.730 0.73 16.63  ? 202 NUY B C4  1 
HETATM 1573 C C5  . NUY C 3 .   ? -37.339 -15.939 -19.251 0.73 16.58  ? 202 NUY B C5  1 
HETATM 1574 C C6  . NUY C 3 .   ? -37.893 -15.223 -21.517 0.73 17.42  ? 202 NUY B C6  1 
HETATM 1575 C C7  . NUY C 3 .   ? -38.452 -13.942 -20.923 0.73 16.02  ? 202 NUY B C7  1 
HETATM 1576 C C8  . NUY C 3 .   ? -38.214 -17.617 -20.870 0.73 19.33  ? 202 NUY B C8  1 
HETATM 1577 C C10 . NUY C 3 .   ? -39.237 -18.517 -18.678 0.73 21.09  ? 202 NUY B C10 1 
HETATM 1578 C C1  . NUY C 3 .   ? -37.848 -11.101 -20.185 0.73 19.29  ? 202 NUY B C1  1 
HETATM 1579 C C11 . NUY C 3 .   ? -39.399 -19.790 -18.060 0.73 23.24  ? 202 NUY B C11 1 
HETATM 1580 C C12 . NUY C 3 .   ? -38.744 -20.779 -18.697 0.73 22.25  ? 202 NUY B C12 1 
HETATM 1581 C C2  . NUY C 3 .   ? -38.119 -12.206 -19.168 0.73 16.63  ? 202 NUY B C2  1 
HETATM 1582 C C3  . NUY C 3 .   ? -37.502 -11.828 -17.842 0.73 16.28  ? 202 NUY B C3  1 
HETATM 1583 C C9  . NUY C 3 .   ? -38.492 -18.616 -19.855 0.73 21.63  ? 202 NUY B C9  1 
HETATM 1584 N N2  . NUY C 3 .   ? -37.899 -16.326 -20.552 0.73 16.95  ? 202 NUY B N2  1 
HETATM 1585 O O1  . NUY C 3 .   ? -38.244 -18.009 -22.037 0.73 19.33  ? 202 NUY B O1  1 
HETATM 1586 S S1  . NUY C 3 .   ? -37.960 -20.243 -20.107 0.73 23.96  ? 202 NUY B S1  1 
HETATM 1587 C C1  . EDO D 2 .   ? -50.219 -17.140 -33.274 1.00 45.39  ? 203 EDO B C1  1 
HETATM 1588 O O1  . EDO D 2 .   ? -49.088 -16.306 -33.306 1.00 36.86  ? 203 EDO B O1  1 
HETATM 1589 C C2  . EDO D 2 .   ? -50.727 -17.308 -31.904 1.00 45.54  ? 203 EDO B C2  1 
HETATM 1590 O O2  . EDO D 2 .   ? -51.135 -16.075 -31.391 1.00 50.47  ? 203 EDO B O2  1 
HETATM 1591 S S   . SO4 E 4 .   ? -40.425 -24.513 -26.208 1.00 40.72  ? 204 SO4 B S   1 
HETATM 1592 O O1  . SO4 E 4 .   ? -39.762 -23.560 -27.016 1.00 26.01  ? 204 SO4 B O1  1 
HETATM 1593 O O2  . SO4 E 4 .   ? -41.358 -25.245 -27.010 1.00 47.71  ? 204 SO4 B O2  1 
HETATM 1594 O O3  . SO4 E 4 .   ? -39.433 -25.421 -25.654 1.00 48.45  ? 204 SO4 B O3  1 
HETATM 1595 O O4  . SO4 E 4 .   ? -41.134 -23.890 -25.119 1.00 42.96  ? 204 SO4 B O4  1 
HETATM 1596 O O   . HOH F 5 .   ? -33.620 4.951   -16.867 1.00 44.48  ? 301 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -26.837 -28.430 -28.009 1.00 27.80  ? 302 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -44.740 7.255   -24.781 1.00 48.07  ? 303 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -45.717 3.651   -34.128 1.00 22.63  ? 304 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -29.592 -12.502 -37.778 1.00 25.74  ? 305 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -39.993 -1.056  -9.971  1.00 33.14  ? 306 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -13.439 -23.545 -31.589 1.00 16.99  ? 307 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -8.864  -13.610 -25.286 1.00 39.29  ? 308 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -15.391 -5.406  -13.887 1.00 34.94  ? 309 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -38.233 0.613   -11.971 1.00 38.83  ? 310 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -36.077 5.407   -15.795 1.00 26.56  ? 311 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -23.731 1.230   -10.978 1.00 44.90  ? 312 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -32.922 1.198   -33.502 1.00 24.65  ? 313 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -17.595 -4.214  -5.931  1.00 44.35  ? 314 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -26.131 3.523   -35.311 1.00 34.05  ? 315 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -9.623  -17.988 -30.815 1.00 54.86  ? 316 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -46.995 -16.845 -31.859 1.00 22.75  ? 317 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -37.915 2.818   -22.778 1.00 22.52  ? 318 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -24.543 -30.832 -21.932 1.00 37.70  ? 319 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -13.719 -20.960 -35.362 1.00 34.61  ? 320 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -18.743 -22.021 -35.624 1.00 18.88  ? 321 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -25.971 -22.584 -35.737 1.00 26.85  ? 322 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -10.991 -21.182 -25.210 1.00 30.91  ? 323 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -49.508 -1.560  -19.469 1.00 28.90  ? 324 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -38.291 3.585   -42.147 1.00 32.79  ? 325 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -35.649 -19.285 -30.530 1.00 33.10  ? 326 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -35.908 -22.630 -19.574 1.00 24.87  ? 327 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -36.884 -16.353 -39.319 1.00 34.06  ? 328 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -44.904 0.443   -11.928 1.00 31.52  ? 329 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -30.658 -6.629  -11.316 1.00 16.31  ? 330 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -36.632 -26.170 -23.805 1.00 37.80  ? 331 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -26.396 1.967   -11.116 1.00 36.33  ? 332 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -17.418 -27.627 -19.643 1.00 21.93  ? 333 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -19.165 -29.731 -15.594 1.00 30.54  ? 334 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -12.584 -21.245 -18.745 1.00 29.06  ? 335 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -42.250 -6.347  -5.801  1.00 32.68  ? 336 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -36.554 -23.098 -30.768 1.00 34.04  ? 337 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -30.226 -23.973 -33.874 1.00 26.40  ? 338 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -16.012 -19.486 -15.743 1.00 26.20  ? 339 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -32.390 4.770   -32.841 1.00 28.76  ? 340 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -17.422 -21.219 -12.401 1.00 20.54  ? 341 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -38.660 -2.503  -21.385 1.00 17.43  ? 342 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -40.634 -14.399 -8.442  1.00 34.75  ? 343 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -38.374 -7.558  -10.780 1.00 17.54  ? 344 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -19.255 -4.297  -22.137 1.00 17.30  ? 345 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -37.187 -25.500 -11.444 1.00 34.46  ? 346 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -36.189 -1.810  -33.821 1.00 26.95  ? 347 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -23.052 2.300   -23.175 1.00 32.46  ? 348 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -34.127 -21.987 -31.293 1.00 19.71  ? 349 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -23.156 4.405   -24.700 1.00 26.87  ? 350 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -40.241 -14.377 -31.429 1.00 17.60  ? 351 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -24.817 -14.149 -4.098  1.00 32.11  ? 352 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -40.927 -9.317  -36.685 1.00 30.06  ? 353 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -42.391 -5.811  -12.340 1.00 27.37  ? 354 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -30.720 -20.346 -21.312 1.00 13.39  ? 355 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -18.403 -4.587  -24.808 1.00 19.08  ? 356 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -20.804 -5.853  -2.223  1.00 46.79  ? 357 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -19.320 -26.133 -31.689 1.00 19.89  ? 358 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -17.974 -19.734 -37.555 1.00 42.10  ? 359 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -16.475 -5.473  -9.502  1.00 38.62  ? 360 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -26.387 -25.743 -16.322 1.00 19.46  ? 361 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -44.890 -7.850  -39.012 1.00 17.13  ? 362 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -10.220 -23.528 -21.955 1.00 32.63  ? 363 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -14.925 -19.591 -37.524 1.00 33.17  ? 364 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -20.776 -16.274 -5.559  1.00 20.13  ? 365 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -42.146 -3.960  -39.464 1.00 25.68  ? 366 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -26.555 -17.435 -7.753  1.00 17.86  ? 367 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -32.807 -18.274 -37.301 1.00 37.11  ? 368 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -30.548 1.218   -17.136 1.00 28.81  ? 369 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -18.136 -17.286 -36.265 1.00 29.04  ? 370 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -45.819 -4.333  -34.021 1.00 28.66  ? 371 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -45.322 -12.083 -26.596 1.00 39.44  ? 372 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -41.721 1.516   -22.599 1.00 30.83  ? 373 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -38.366 3.880   -13.572 1.00 36.92  ? 374 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -32.200 -4.956  -12.952 1.00 15.20  ? 375 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -19.694 1.799   -30.527 1.00 31.91  ? 376 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -23.796 -20.999 -38.781 1.00 24.94  ? 377 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -36.408 -0.986  -22.114 1.00 14.75  ? 378 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -27.037 -20.039 -6.898  1.00 19.38  ? 379 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -36.874 0.852   -15.609 1.00 18.26  ? 380 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -45.660 -19.658 -31.681 1.00 31.94  ? 381 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -23.847 -12.302 -6.643  1.00 20.95  ? 382 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -35.458 -4.707  -42.202 1.00 25.78  ? 383 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -14.488 -16.610 -33.313 1.00 32.29  ? 384 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -43.743 -0.517  -24.306 1.00 33.02  ? 385 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -35.814 -3.626  -10.104 1.00 51.66  ? 386 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -33.516 -1.850  -38.392 1.00 28.45  ? 387 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -25.206 -10.492 -23.627 1.00 14.26  ? 388 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -12.848 -18.465 -34.977 1.00 38.27  ? 389 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -33.319 -14.877 -6.956  1.00 24.23  ? 390 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -40.906 -8.378  -13.442 1.00 23.37  ? 391 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -36.474 -0.227  -42.102 1.00 35.87  ? 392 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -18.862 -28.947 -23.385 1.00 25.58  ? 393 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -24.677 -14.926 -6.854  1.00 18.75  ? 394 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -9.161  -16.214 -26.564 1.00 33.07  ? 395 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -41.079 -5.925  -38.101 1.00 38.07  ? 396 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -25.691 -27.014 -23.741 1.00 18.87  ? 397 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -39.919 -11.339 -22.835 1.00 32.64  ? 398 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -24.395 -4.339  -37.045 1.00 37.43  ? 399 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -24.584 -10.993 -4.269  1.00 27.91  ? 400 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -17.920 -11.233 -35.661 1.00 27.85  ? 401 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -45.796 -14.611 -27.520 1.00 34.36  ? 402 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -9.208  -20.846 -29.003 1.00 35.81  ? 403 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -40.128 6.084   -26.070 1.00 45.02  ? 404 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -28.712 7.905   -30.076 1.00 28.99  ? 405 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -31.513 3.593   -26.859 1.00 28.90  ? 406 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -42.277 -5.053  -43.776 1.00 25.00  ? 407 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -17.904 -15.955 -6.066  1.00 24.43  ? 408 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -34.268 -22.158 -36.088 1.00 49.84  ? 409 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -40.314 -7.503  -34.673 1.00 24.58  ? 410 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -13.134 -6.322  -29.396 1.00 35.08  ? 411 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -40.794 6.396   -33.143 1.00 31.09  ? 412 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -43.063 3.736   -18.760 1.00 22.82  ? 413 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -15.839 -14.692 -8.700  1.00 36.38  ? 414 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -34.208 -7.088  -7.796  1.00 37.13  ? 415 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -36.534 -6.735  -8.858  1.00 39.09  ? 416 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -19.641 2.297   -24.014 1.00 43.11  ? 417 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -40.972 -9.038  -19.516 1.00 12.78  ? 418 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -25.071 7.086   -28.884 1.00 29.06  ? 419 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -31.050 4.093   -24.491 1.00 31.60  ? 420 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -30.799 -17.220 -42.732 1.00 37.26  ? 421 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -15.878 -12.051 -5.594  1.00 45.52  ? 422 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -27.648 -28.048 -25.469 1.00 24.91  ? 423 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -32.813 -23.480 -33.492 1.00 33.96  ? 424 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -47.592 0.000   -32.870 0.50 25.63  ? 425 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -34.559 -8.857  -6.085  1.00 48.82  ? 426 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -15.793 -7.263  -11.265 1.00 41.58  ? 427 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -8.393  -22.981 -30.352 1.00 30.16  ? 428 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -21.662 6.937   -32.364 1.00 31.94  ? 429 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -26.218 -28.123 -21.603 1.00 40.07  ? 430 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -40.026 5.066   -21.966 1.00 41.80  ? 431 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -41.403 -9.748  -43.820 1.00 41.37  ? 432 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -22.758 3.239   -20.477 1.00 41.23  ? 433 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -36.529 1.838   -43.091 1.00 43.20  ? 434 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -15.763 -22.114 -14.531 1.00 33.41  ? 435 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -26.280 -31.047 -23.958 1.00 37.37  ? 436 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -15.756 -26.921 -17.181 1.00 36.23  ? 437 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -28.136 -27.899 -16.712 1.00 31.55  ? 438 HOH B O   1 
HETATM 1734 O O   . HOH F 5 .   ? -42.069 -12.915 -22.501 1.00 36.19  ? 439 HOH B O   1 
# 
