data_7HO9
# 
_entry.id   7HO9 
# 
_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   7HO9         pdb_00007ho9 10.2210/pdb7ho9/pdb 
WWPDB D_1001407723 ?            ?                   
# 
_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                        7HO9 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'           21596.361 1  2.3.2.27 ? ? ? 
2 non-polymer syn '(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine' 150.221   1  ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                 62.068    1  ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                  96.063    1  ?        ? ? ? 
5 water       nat water                                          18.015    34 ?        ? ? ? 
# 
_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 '(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine' A1A3W 
3 1,2-ETHANEDIOL                                 EDO   
4 'SULFATE ION'                                  SO4   
5 water                                          HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1A3W non-polymer         . '(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine' ?                 'C9 H14 N2'      150.221 
ALA   'L-peptide linking' y ALANINE                                        ?                 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                                       ?                 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                                     ?                 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                ?                 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                                       ?                 'C3 H7 N O2 S'   121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL                                 'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN   'L-peptide linking' y GLUTAMINE                                      ?                 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                ?                 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                        ?                 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                                      ?                 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                          ?                 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                     ?                 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                        ?                 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                                         ?                 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                     ?                 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                  ?                 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                                        ?                 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                                         ?                 'C3 H7 N O3'     105.093 
SO4   non-polymer         . 'SULFATE ION'                                  ?                 'O4 S -2'        96.063  
THR   'L-peptide linking' y THREONINE                                      ?                 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                     ?                 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                                       ?                 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                                         ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1A3W 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1A3W 
_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 A1A3W 1  201 302 A1A3W LIG B . 
C 3 EDO   1  202 305 EDO   EDO B . 
D 4 SO4   1  203 1   SO4   SO4 B . 
E 5 HOH   1  301 4   HOH   HOH B . 
E 5 HOH   2  302 99  HOH   HOH B . 
E 5 HOH   3  303 27  HOH   HOH B . 
E 5 HOH   4  304 95  HOH   HOH B . 
E 5 HOH   5  305 129 HOH   HOH B . 
E 5 HOH   6  306 63  HOH   HOH B . 
E 5 HOH   7  307 100 HOH   HOH B . 
E 5 HOH   8  308 2   HOH   HOH B . 
E 5 HOH   9  309 27  HOH   HOH B . 
E 5 HOH   10 310 126 HOH   HOH B . 
E 5 HOH   11 311 22  HOH   HOH B . 
E 5 HOH   12 312 50  HOH   HOH B . 
E 5 HOH   13 313 66  HOH   HOH B . 
E 5 HOH   14 314 28  HOH   HOH B . 
E 5 HOH   15 315 4   HOH   HOH B . 
E 5 HOH   16 316 59  HOH   HOH B . 
E 5 HOH   17 317 1   HOH   HOH B . 
E 5 HOH   18 318 304 HOH   HOH B . 
E 5 HOH   19 319 13  HOH   HOH B . 
E 5 HOH   20 320 25  HOH   HOH B . 
E 5 HOH   21 321 85  HOH   HOH B . 
E 5 HOH   22 322 24  HOH   HOH B . 
E 5 HOH   23 323 14  HOH   HOH B . 
E 5 HOH   24 324 137 HOH   HOH B . 
E 5 HOH   25 325 45  HOH   HOH B . 
E 5 HOH   26 326 8   HOH   HOH B . 
E 5 HOH   27 327 257 HOH   HOH B . 
E 5 HOH   28 328 120 HOH   HOH B . 
E 5 HOH   29 329 41  HOH   HOH B . 
E 5 HOH   30 330 38  HOH   HOH B . 
E 5 HOH   31 331 53  HOH   HOH B . 
E 5 HOH   32 332 5   HOH   HOH B . 
E 5 HOH   33 333 263 HOH   HOH B . 
E 5 HOH   34 334 264 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           7HO9 
_cell.length_a           95.458 
_cell.length_b           95.458 
_cell.length_c           45.721 
_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                         7HO9 
_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          7HO9 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.99 
_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                     7HO9 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.490 
_reflns.d_resolution_high            1.260 
_reflns.number_obs                   54627 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         98.100 
_reflns.pdbx_Rmerge_I_obs            0.073 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        16.500 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.500 
_reflns.pdbx_Rrim_I_all              0.077 
_reflns.pdbx_Rpim_I_all              0.022 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     576125 
_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 1.260 1.280  ? 6431 2310 ? 1.107 ? ? ? 2.800  ? 0.500  ? ? ? ? ? ? 80.700 1.373 0.785 0.322 
1 2 6.780 67.490 ? 4902 394  ? 0.034 ? ? ? 12.400 ? 94.000 ? ? ? ? ? ? 99.900 0.036 0.011 1.000 
# 
_refine.entry_id                                 7HO9 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2600 
_refine.ls_d_res_low                             67.5000 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    97.9700 
_refine.ls_number_reflns_obs                     51913 
_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                          0.1796 
_refine.ls_R_factor_R_work                       0.1786 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1990 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2658 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.4340 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1200 
_refine.aniso_B[2][2]                            0.1200 
_refine.aniso_B[3][3]                            -0.2400 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9700 
_refine.correlation_coeff_Fo_to_Fc_free          0.9630 
_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                       0.0490 
_refine.pdbx_overall_ESU_R_Free                  0.0510 
_refine.overall_SU_ML                            0.0430 
_refine.overall_SU_B                             1.0720 
_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                                75.910 
_refine.B_iso_min                                8.210 
_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                       1.2600 
_refine_hist.d_res_low                        67.5000 
_refine_hist.pdbx_number_atoms_ligand         20 
_refine_hist.number_atoms_solvent             34 
_refine_hist.number_atoms_total               1547 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           35.43 
_refine_hist.pdbx_B_iso_mean_solvent          23.95 
_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       2095 0.012  0.014  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1613 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2494 1.840  1.638  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3720 1.452  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.073  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.803 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.255 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.096 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         219  0.089  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2214 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     494  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1058 1.334  1.565  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.382  1.411  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.231  2.126  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2600 
_refine_ls_shell.d_res_low                        1.2930 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               81.9400 
_refine_ls_shell.number_reflns_R_work             3188 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3500 
_refine_ls_shell.R_factor_R_free                  0.3630 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             170 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3358 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HO9 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1250132788' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HO9 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HO9 
_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 7HO9 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HO9 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HO9 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HO9 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HO9 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HO9 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HO9 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HO9 MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.93 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HO9 
_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_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                127.23 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            15.43 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.15   35.20 
2 1 ASP B 152 ? ? -100.48 52.47 
# 
_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 
A1A3W N1   N Y N 1   
A1A3W C4   C Y N 2   
A1A3W C5   C Y N 3   
A1A3W C6   C Y N 4   
A1A3W C7   C Y N 5   
A1A3W C8   C Y N 6   
A1A3W C3   C N N 7   
A1A3W N    N N N 8   
A1A3W C2   C N S 9   
A1A3W C1   C N N 10  
A1A3W C    C N N 11  
A1A3W H10  H N N 12  
A1A3W H11  H N N 13  
A1A3W H12  H N N 14  
A1A3W H13  H N N 15  
A1A3W H7   H N N 16  
A1A3W H9   H N N 17  
A1A3W H8   H N N 18  
A1A3W H6   H N N 19  
A1A3W H5   H N N 20  
A1A3W H4   H N N 21  
A1A3W H3   H N N 22  
A1A3W H2   H N N 23  
A1A3W H1   H N N 24  
A1A3W H    H N N 25  
ALA   N    N N N 26  
ALA   CA   C N S 27  
ALA   C    C N N 28  
ALA   O    O N N 29  
ALA   CB   C N N 30  
ALA   OXT  O N N 31  
ALA   H    H N N 32  
ALA   H2   H N N 33  
ALA   HA   H N N 34  
ALA   HB1  H N N 35  
ALA   HB2  H N N 36  
ALA   HB3  H N N 37  
ALA   HXT  H N N 38  
ARG   N    N N N 39  
ARG   CA   C N S 40  
ARG   C    C N N 41  
ARG   O    O N N 42  
ARG   CB   C N N 43  
ARG   CG   C N N 44  
ARG   CD   C N N 45  
ARG   NE   N N N 46  
ARG   CZ   C N N 47  
ARG   NH1  N N N 48  
ARG   NH2  N N N 49  
ARG   OXT  O N N 50  
ARG   H    H N N 51  
ARG   H2   H N N 52  
ARG   HA   H N N 53  
ARG   HB2  H N N 54  
ARG   HB3  H N N 55  
ARG   HG2  H N N 56  
ARG   HG3  H N N 57  
ARG   HD2  H N N 58  
ARG   HD3  H N N 59  
ARG   HE   H N N 60  
ARG   HH11 H N N 61  
ARG   HH12 H N N 62  
ARG   HH21 H N N 63  
ARG   HH22 H N N 64  
ARG   HXT  H N N 65  
ASN   N    N N N 66  
ASN   CA   C N S 67  
ASN   C    C N N 68  
ASN   O    O N N 69  
ASN   CB   C N N 70  
ASN   CG   C N N 71  
ASN   OD1  O N N 72  
ASN   ND2  N N N 73  
ASN   OXT  O N N 74  
ASN   H    H N N 75  
ASN   H2   H N N 76  
ASN   HA   H N N 77  
ASN   HB2  H N N 78  
ASN   HB3  H N N 79  
ASN   HD21 H N N 80  
ASN   HD22 H N N 81  
ASN   HXT  H N N 82  
ASP   N    N N N 83  
ASP   CA   C N S 84  
ASP   C    C N N 85  
ASP   O    O N N 86  
ASP   CB   C N N 87  
ASP   CG   C N N 88  
ASP   OD1  O N N 89  
ASP   OD2  O N N 90  
ASP   OXT  O N N 91  
ASP   H    H N N 92  
ASP   H2   H N N 93  
ASP   HA   H N N 94  
ASP   HB2  H N N 95  
ASP   HB3  H N N 96  
ASP   HD2  H N N 97  
ASP   HXT  H N N 98  
CYS   N    N N N 99  
CYS   CA   C N R 100 
CYS   C    C N N 101 
CYS   O    O N N 102 
CYS   CB   C N N 103 
CYS   SG   S N N 104 
CYS   OXT  O N N 105 
CYS   H    H N N 106 
CYS   H2   H N N 107 
CYS   HA   H N N 108 
CYS   HB2  H N N 109 
CYS   HB3  H N N 110 
CYS   HG   H N N 111 
CYS   HXT  H N N 112 
EDO   C1   C N N 113 
EDO   O1   O N N 114 
EDO   C2   C N N 115 
EDO   O2   O N N 116 
EDO   H11  H N N 117 
EDO   H12  H N N 118 
EDO   HO1  H N N 119 
EDO   H21  H N N 120 
EDO   H22  H N N 121 
EDO   HO2  H N N 122 
GLN   N    N N N 123 
GLN   CA   C N S 124 
GLN   C    C N N 125 
GLN   O    O N N 126 
GLN   CB   C N N 127 
GLN   CG   C N N 128 
GLN   CD   C N N 129 
GLN   OE1  O N N 130 
GLN   NE2  N N N 131 
GLN   OXT  O N N 132 
GLN   H    H N N 133 
GLN   H2   H N N 134 
GLN   HA   H N N 135 
GLN   HB2  H N N 136 
GLN   HB3  H N N 137 
GLN   HG2  H N N 138 
GLN   HG3  H N N 139 
GLN   HE21 H N N 140 
GLN   HE22 H N N 141 
GLN   HXT  H N N 142 
GLU   N    N N N 143 
GLU   CA   C N S 144 
GLU   C    C N N 145 
GLU   O    O N N 146 
GLU   CB   C N N 147 
GLU   CG   C N N 148 
GLU   CD   C N N 149 
GLU   OE1  O N N 150 
GLU   OE2  O N N 151 
GLU   OXT  O N N 152 
GLU   H    H N N 153 
GLU   H2   H N N 154 
GLU   HA   H N N 155 
GLU   HB2  H N N 156 
GLU   HB3  H N N 157 
GLU   HG2  H N N 158 
GLU   HG3  H N N 159 
GLU   HE2  H N N 160 
GLU   HXT  H N N 161 
GLY   N    N N N 162 
GLY   CA   C N N 163 
GLY   C    C N N 164 
GLY   O    O N N 165 
GLY   OXT  O N N 166 
GLY   H    H N N 167 
GLY   H2   H N N 168 
GLY   HA2  H N N 169 
GLY   HA3  H N N 170 
GLY   HXT  H N N 171 
HIS   N    N N N 172 
HIS   CA   C N S 173 
HIS   C    C N N 174 
HIS   O    O N N 175 
HIS   CB   C N N 176 
HIS   CG   C Y N 177 
HIS   ND1  N Y N 178 
HIS   CD2  C Y N 179 
HIS   CE1  C Y N 180 
HIS   NE2  N Y N 181 
HIS   OXT  O N N 182 
HIS   H    H N N 183 
HIS   H2   H N N 184 
HIS   HA   H N N 185 
HIS   HB2  H N N 186 
HIS   HB3  H N N 187 
HIS   HD1  H N N 188 
HIS   HD2  H N N 189 
HIS   HE1  H N N 190 
HIS   HE2  H N N 191 
HIS   HXT  H N N 192 
HOH   O    O N N 193 
HOH   H1   H N N 194 
HOH   H2   H N N 195 
ILE   N    N N N 196 
ILE   CA   C N S 197 
ILE   C    C N N 198 
ILE   O    O N N 199 
ILE   CB   C N S 200 
ILE   CG1  C N N 201 
ILE   CG2  C N N 202 
ILE   CD1  C N N 203 
ILE   OXT  O N N 204 
ILE   H    H N N 205 
ILE   H2   H N N 206 
ILE   HA   H N N 207 
ILE   HB   H N N 208 
ILE   HG12 H N N 209 
ILE   HG13 H N N 210 
ILE   HG21 H N N 211 
ILE   HG22 H N N 212 
ILE   HG23 H N N 213 
ILE   HD11 H N N 214 
ILE   HD12 H N N 215 
ILE   HD13 H N N 216 
ILE   HXT  H N N 217 
LEU   N    N N N 218 
LEU   CA   C N S 219 
LEU   C    C N N 220 
LEU   O    O N N 221 
LEU   CB   C N N 222 
LEU   CG   C N N 223 
LEU   CD1  C N N 224 
LEU   CD2  C N N 225 
LEU   OXT  O N N 226 
LEU   H    H N N 227 
LEU   H2   H N N 228 
LEU   HA   H N N 229 
LEU   HB2  H N N 230 
LEU   HB3  H N N 231 
LEU   HG   H N N 232 
LEU   HD11 H N N 233 
LEU   HD12 H N N 234 
LEU   HD13 H N N 235 
LEU   HD21 H N N 236 
LEU   HD22 H N N 237 
LEU   HD23 H N N 238 
LEU   HXT  H N N 239 
LYS   N    N N N 240 
LYS   CA   C N S 241 
LYS   C    C N N 242 
LYS   O    O N N 243 
LYS   CB   C N N 244 
LYS   CG   C N N 245 
LYS   CD   C N N 246 
LYS   CE   C N N 247 
LYS   NZ   N N N 248 
LYS   OXT  O N N 249 
LYS   H    H N N 250 
LYS   H2   H N N 251 
LYS   HA   H N N 252 
LYS   HB2  H N N 253 
LYS   HB3  H N N 254 
LYS   HG2  H N N 255 
LYS   HG3  H N N 256 
LYS   HD2  H N N 257 
LYS   HD3  H N N 258 
LYS   HE2  H N N 259 
LYS   HE3  H N N 260 
LYS   HZ1  H N N 261 
LYS   HZ2  H N N 262 
LYS   HZ3  H N N 263 
LYS   HXT  H N N 264 
MET   N    N N N 265 
MET   CA   C N S 266 
MET   C    C N N 267 
MET   O    O N N 268 
MET   CB   C N N 269 
MET   CG   C N N 270 
MET   SD   S N N 271 
MET   CE   C N N 272 
MET   OXT  O N N 273 
MET   H    H N N 274 
MET   H2   H N N 275 
MET   HA   H N N 276 
MET   HB2  H N N 277 
MET   HB3  H N N 278 
MET   HG2  H N N 279 
MET   HG3  H N N 280 
MET   HE1  H N N 281 
MET   HE2  H N N 282 
MET   HE3  H N N 283 
MET   HXT  H N N 284 
PHE   N    N N N 285 
PHE   CA   C N S 286 
PHE   C    C N N 287 
PHE   O    O N N 288 
PHE   CB   C N N 289 
PHE   CG   C Y N 290 
PHE   CD1  C Y N 291 
PHE   CD2  C Y N 292 
PHE   CE1  C Y N 293 
PHE   CE2  C Y N 294 
PHE   CZ   C Y N 295 
PHE   OXT  O N N 296 
PHE   H    H N N 297 
PHE   H2   H N N 298 
PHE   HA   H N N 299 
PHE   HB2  H N N 300 
PHE   HB3  H N N 301 
PHE   HD1  H N N 302 
PHE   HD2  H N N 303 
PHE   HE1  H N N 304 
PHE   HE2  H N N 305 
PHE   HZ   H N N 306 
PHE   HXT  H N N 307 
PRO   N    N N N 308 
PRO   CA   C N S 309 
PRO   C    C N N 310 
PRO   O    O N N 311 
PRO   CB   C N N 312 
PRO   CG   C N N 313 
PRO   CD   C N N 314 
PRO   OXT  O N N 315 
PRO   H    H N N 316 
PRO   HA   H N N 317 
PRO   HB2  H N N 318 
PRO   HB3  H N N 319 
PRO   HG2  H N N 320 
PRO   HG3  H N N 321 
PRO   HD2  H N N 322 
PRO   HD3  H N N 323 
PRO   HXT  H N N 324 
SER   N    N N N 325 
SER   CA   C N S 326 
SER   C    C N N 327 
SER   O    O N N 328 
SER   CB   C N N 329 
SER   OG   O N N 330 
SER   OXT  O N N 331 
SER   H    H N N 332 
SER   H2   H N N 333 
SER   HA   H N N 334 
SER   HB2  H N N 335 
SER   HB3  H N N 336 
SER   HG   H N N 337 
SER   HXT  H N N 338 
SO4   S    S N N 339 
SO4   O1   O N N 340 
SO4   O2   O N N 341 
SO4   O3   O N N 342 
SO4   O4   O N N 343 
THR   N    N N N 344 
THR   CA   C N S 345 
THR   C    C N N 346 
THR   O    O N N 347 
THR   CB   C N R 348 
THR   OG1  O N N 349 
THR   CG2  C N N 350 
THR   OXT  O N N 351 
THR   H    H N N 352 
THR   H2   H N N 353 
THR   HA   H N N 354 
THR   HB   H N N 355 
THR   HG1  H N N 356 
THR   HG21 H N N 357 
THR   HG22 H N N 358 
THR   HG23 H N N 359 
THR   HXT  H N N 360 
TRP   N    N N N 361 
TRP   CA   C N S 362 
TRP   C    C N N 363 
TRP   O    O N N 364 
TRP   CB   C N N 365 
TRP   CG   C Y N 366 
TRP   CD1  C Y N 367 
TRP   CD2  C Y N 368 
TRP   NE1  N Y N 369 
TRP   CE2  C Y N 370 
TRP   CE3  C Y N 371 
TRP   CZ2  C Y N 372 
TRP   CZ3  C Y N 373 
TRP   CH2  C Y N 374 
TRP   OXT  O N N 375 
TRP   H    H N N 376 
TRP   H2   H N N 377 
TRP   HA   H N N 378 
TRP   HB2  H N N 379 
TRP   HB3  H N N 380 
TRP   HD1  H N N 381 
TRP   HE1  H N N 382 
TRP   HE3  H N N 383 
TRP   HZ2  H N N 384 
TRP   HZ3  H N N 385 
TRP   HH2  H N N 386 
TRP   HXT  H N N 387 
TYR   N    N N N 388 
TYR   CA   C N S 389 
TYR   C    C N N 390 
TYR   O    O N N 391 
TYR   CB   C N N 392 
TYR   CG   C Y N 393 
TYR   CD1  C Y N 394 
TYR   CD2  C Y N 395 
TYR   CE1  C Y N 396 
TYR   CE2  C Y N 397 
TYR   CZ   C Y N 398 
TYR   OH   O N N 399 
TYR   OXT  O N N 400 
TYR   H    H N N 401 
TYR   H2   H N N 402 
TYR   HA   H N N 403 
TYR   HB2  H N N 404 
TYR   HB3  H N N 405 
TYR   HD1  H N N 406 
TYR   HD2  H N N 407 
TYR   HE1  H N N 408 
TYR   HE2  H N N 409 
TYR   HH   H N N 410 
TYR   HXT  H N N 411 
VAL   N    N N N 412 
VAL   CA   C N S 413 
VAL   C    C N N 414 
VAL   O    O N N 415 
VAL   CB   C N N 416 
VAL   CG1  C N N 417 
VAL   CG2  C N N 418 
VAL   OXT  O N N 419 
VAL   H    H N N 420 
VAL   H2   H N N 421 
VAL   HA   H N N 422 
VAL   HB   H N N 423 
VAL   HG11 H N N 424 
VAL   HG12 H N N 425 
VAL   HG13 H N N 426 
VAL   HG21 H N N 427 
VAL   HG22 H N N 428 
VAL   HG23 H N N 429 
VAL   HXT  H N N 430 
# 
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 
A1A3W C   C1   sing N N 1   
A1A3W C1  C2   sing N N 2   
A1A3W C2  N    sing N N 3   
A1A3W N   C3   sing N N 4   
A1A3W C4  C2   sing N N 5   
A1A3W C4  C5   sing Y N 6   
A1A3W C5  C6   doub Y N 7   
A1A3W C6  N1   sing Y N 8   
A1A3W N1  C7   doub Y N 9   
A1A3W C7  C8   sing Y N 10  
A1A3W C8  C4   doub Y N 11  
A1A3W C5  H10  sing N N 12  
A1A3W C6  H11  sing N N 13  
A1A3W C7  H12  sing N N 14  
A1A3W C8  H13  sing N N 15  
A1A3W C3  H7   sing N N 16  
A1A3W C3  H9   sing N N 17  
A1A3W C3  H8   sing N N 18  
A1A3W N   H6   sing N N 19  
A1A3W C2  H5   sing N N 20  
A1A3W C1  H4   sing N N 21  
A1A3W C1  H3   sing N N 22  
A1A3W C   H2   sing N N 23  
A1A3W C   H1   sing N N 24  
A1A3W C   H    sing N N 25  
ALA   N   CA   sing N N 26  
ALA   N   H    sing N N 27  
ALA   N   H2   sing N N 28  
ALA   CA  C    sing N N 29  
ALA   CA  CB   sing N N 30  
ALA   CA  HA   sing N N 31  
ALA   C   O    doub N N 32  
ALA   C   OXT  sing N N 33  
ALA   CB  HB1  sing N N 34  
ALA   CB  HB2  sing N N 35  
ALA   CB  HB3  sing N N 36  
ALA   OXT HXT  sing N N 37  
ARG   N   CA   sing N N 38  
ARG   N   H    sing N N 39  
ARG   N   H2   sing N N 40  
ARG   CA  C    sing N N 41  
ARG   CA  CB   sing N N 42  
ARG   CA  HA   sing N N 43  
ARG   C   O    doub N N 44  
ARG   C   OXT  sing N N 45  
ARG   CB  CG   sing N N 46  
ARG   CB  HB2  sing N N 47  
ARG   CB  HB3  sing N N 48  
ARG   CG  CD   sing N N 49  
ARG   CG  HG2  sing N N 50  
ARG   CG  HG3  sing N N 51  
ARG   CD  NE   sing N N 52  
ARG   CD  HD2  sing N N 53  
ARG   CD  HD3  sing N N 54  
ARG   NE  CZ   sing N N 55  
ARG   NE  HE   sing N N 56  
ARG   CZ  NH1  sing N N 57  
ARG   CZ  NH2  doub N N 58  
ARG   NH1 HH11 sing N N 59  
ARG   NH1 HH12 sing N N 60  
ARG   NH2 HH21 sing N N 61  
ARG   NH2 HH22 sing N N 62  
ARG   OXT HXT  sing N N 63  
ASN   N   CA   sing N N 64  
ASN   N   H    sing N N 65  
ASN   N   H2   sing N N 66  
ASN   CA  C    sing N N 67  
ASN   CA  CB   sing N N 68  
ASN   CA  HA   sing N N 69  
ASN   C   O    doub N N 70  
ASN   C   OXT  sing N N 71  
ASN   CB  CG   sing N N 72  
ASN   CB  HB2  sing N N 73  
ASN   CB  HB3  sing N N 74  
ASN   CG  OD1  doub N N 75  
ASN   CG  ND2  sing N N 76  
ASN   ND2 HD21 sing N N 77  
ASN   ND2 HD22 sing N N 78  
ASN   OXT HXT  sing N N 79  
ASP   N   CA   sing N N 80  
ASP   N   H    sing N N 81  
ASP   N   H2   sing N N 82  
ASP   CA  C    sing N N 83  
ASP   CA  CB   sing N N 84  
ASP   CA  HA   sing N N 85  
ASP   C   O    doub N N 86  
ASP   C   OXT  sing N N 87  
ASP   CB  CG   sing N N 88  
ASP   CB  HB2  sing N N 89  
ASP   CB  HB3  sing N N 90  
ASP   CG  OD1  doub N N 91  
ASP   CG  OD2  sing N N 92  
ASP   OD2 HD2  sing N N 93  
ASP   OXT HXT  sing N N 94  
CYS   N   CA   sing N N 95  
CYS   N   H    sing N N 96  
CYS   N   H2   sing N N 97  
CYS   CA  C    sing N N 98  
CYS   CA  CB   sing N N 99  
CYS   CA  HA   sing N N 100 
CYS   C   O    doub N N 101 
CYS   C   OXT  sing N N 102 
CYS   CB  SG   sing N N 103 
CYS   CB  HB2  sing N N 104 
CYS   CB  HB3  sing N N 105 
CYS   SG  HG   sing N N 106 
CYS   OXT HXT  sing N N 107 
EDO   C1  O1   sing N N 108 
EDO   C1  C2   sing N N 109 
EDO   C1  H11  sing N N 110 
EDO   C1  H12  sing N N 111 
EDO   O1  HO1  sing N N 112 
EDO   C2  O2   sing N N 113 
EDO   C2  H21  sing N N 114 
EDO   C2  H22  sing N N 115 
EDO   O2  HO2  sing N N 116 
GLN   N   CA   sing N N 117 
GLN   N   H    sing N N 118 
GLN   N   H2   sing N N 119 
GLN   CA  C    sing N N 120 
GLN   CA  CB   sing N N 121 
GLN   CA  HA   sing N N 122 
GLN   C   O    doub N N 123 
GLN   C   OXT  sing N N 124 
GLN   CB  CG   sing N N 125 
GLN   CB  HB2  sing N N 126 
GLN   CB  HB3  sing N N 127 
GLN   CG  CD   sing N N 128 
GLN   CG  HG2  sing N N 129 
GLN   CG  HG3  sing N N 130 
GLN   CD  OE1  doub N N 131 
GLN   CD  NE2  sing N N 132 
GLN   NE2 HE21 sing N N 133 
GLN   NE2 HE22 sing N N 134 
GLN   OXT HXT  sing N N 135 
GLU   N   CA   sing N N 136 
GLU   N   H    sing N N 137 
GLU   N   H2   sing N N 138 
GLU   CA  C    sing N N 139 
GLU   CA  CB   sing N N 140 
GLU   CA  HA   sing N N 141 
GLU   C   O    doub N N 142 
GLU   C   OXT  sing N N 143 
GLU   CB  CG   sing N N 144 
GLU   CB  HB2  sing N N 145 
GLU   CB  HB3  sing N N 146 
GLU   CG  CD   sing N N 147 
GLU   CG  HG2  sing N N 148 
GLU   CG  HG3  sing N N 149 
GLU   CD  OE1  doub N N 150 
GLU   CD  OE2  sing N N 151 
GLU   OE2 HE2  sing N N 152 
GLU   OXT HXT  sing N N 153 
GLY   N   CA   sing N N 154 
GLY   N   H    sing N N 155 
GLY   N   H2   sing N N 156 
GLY   CA  C    sing N N 157 
GLY   CA  HA2  sing N N 158 
GLY   CA  HA3  sing N N 159 
GLY   C   O    doub N N 160 
GLY   C   OXT  sing N N 161 
GLY   OXT HXT  sing N N 162 
HIS   N   CA   sing N N 163 
HIS   N   H    sing N N 164 
HIS   N   H2   sing N N 165 
HIS   CA  C    sing N N 166 
HIS   CA  CB   sing N N 167 
HIS   CA  HA   sing N N 168 
HIS   C   O    doub N N 169 
HIS   C   OXT  sing N N 170 
HIS   CB  CG   sing N N 171 
HIS   CB  HB2  sing N N 172 
HIS   CB  HB3  sing N N 173 
HIS   CG  ND1  sing Y N 174 
HIS   CG  CD2  doub Y N 175 
HIS   ND1 CE1  doub Y N 176 
HIS   ND1 HD1  sing N N 177 
HIS   CD2 NE2  sing Y N 178 
HIS   CD2 HD2  sing N N 179 
HIS   CE1 NE2  sing Y N 180 
HIS   CE1 HE1  sing N N 181 
HIS   NE2 HE2  sing N N 182 
HIS   OXT HXT  sing N N 183 
HOH   O   H1   sing N N 184 
HOH   O   H2   sing N N 185 
ILE   N   CA   sing N N 186 
ILE   N   H    sing N N 187 
ILE   N   H2   sing N N 188 
ILE   CA  C    sing N N 189 
ILE   CA  CB   sing N N 190 
ILE   CA  HA   sing N N 191 
ILE   C   O    doub N N 192 
ILE   C   OXT  sing N N 193 
ILE   CB  CG1  sing N N 194 
ILE   CB  CG2  sing N N 195 
ILE   CB  HB   sing N N 196 
ILE   CG1 CD1  sing N N 197 
ILE   CG1 HG12 sing N N 198 
ILE   CG1 HG13 sing N N 199 
ILE   CG2 HG21 sing N N 200 
ILE   CG2 HG22 sing N N 201 
ILE   CG2 HG23 sing N N 202 
ILE   CD1 HD11 sing N N 203 
ILE   CD1 HD12 sing N N 204 
ILE   CD1 HD13 sing N N 205 
ILE   OXT HXT  sing N N 206 
LEU   N   CA   sing N N 207 
LEU   N   H    sing N N 208 
LEU   N   H2   sing N N 209 
LEU   CA  C    sing N N 210 
LEU   CA  CB   sing N N 211 
LEU   CA  HA   sing N N 212 
LEU   C   O    doub N N 213 
LEU   C   OXT  sing N N 214 
LEU   CB  CG   sing N N 215 
LEU   CB  HB2  sing N N 216 
LEU   CB  HB3  sing N N 217 
LEU   CG  CD1  sing N N 218 
LEU   CG  CD2  sing N N 219 
LEU   CG  HG   sing N N 220 
LEU   CD1 HD11 sing N N 221 
LEU   CD1 HD12 sing N N 222 
LEU   CD1 HD13 sing N N 223 
LEU   CD2 HD21 sing N N 224 
LEU   CD2 HD22 sing N N 225 
LEU   CD2 HD23 sing N N 226 
LEU   OXT HXT  sing N N 227 
LYS   N   CA   sing N N 228 
LYS   N   H    sing N N 229 
LYS   N   H2   sing N N 230 
LYS   CA  C    sing N N 231 
LYS   CA  CB   sing N N 232 
LYS   CA  HA   sing N N 233 
LYS   C   O    doub N N 234 
LYS   C   OXT  sing N N 235 
LYS   CB  CG   sing N N 236 
LYS   CB  HB2  sing N N 237 
LYS   CB  HB3  sing N N 238 
LYS   CG  CD   sing N N 239 
LYS   CG  HG2  sing N N 240 
LYS   CG  HG3  sing N N 241 
LYS   CD  CE   sing N N 242 
LYS   CD  HD2  sing N N 243 
LYS   CD  HD3  sing N N 244 
LYS   CE  NZ   sing N N 245 
LYS   CE  HE2  sing N N 246 
LYS   CE  HE3  sing N N 247 
LYS   NZ  HZ1  sing N N 248 
LYS   NZ  HZ2  sing N N 249 
LYS   NZ  HZ3  sing N N 250 
LYS   OXT HXT  sing N N 251 
MET   N   CA   sing N N 252 
MET   N   H    sing N N 253 
MET   N   H2   sing N N 254 
MET   CA  C    sing N N 255 
MET   CA  CB   sing N N 256 
MET   CA  HA   sing N N 257 
MET   C   O    doub N N 258 
MET   C   OXT  sing N N 259 
MET   CB  CG   sing N N 260 
MET   CB  HB2  sing N N 261 
MET   CB  HB3  sing N N 262 
MET   CG  SD   sing N N 263 
MET   CG  HG2  sing N N 264 
MET   CG  HG3  sing N N 265 
MET   SD  CE   sing N N 266 
MET   CE  HE1  sing N N 267 
MET   CE  HE2  sing N N 268 
MET   CE  HE3  sing N N 269 
MET   OXT HXT  sing N N 270 
PHE   N   CA   sing N N 271 
PHE   N   H    sing N N 272 
PHE   N   H2   sing N N 273 
PHE   CA  C    sing N N 274 
PHE   CA  CB   sing N N 275 
PHE   CA  HA   sing N N 276 
PHE   C   O    doub N N 277 
PHE   C   OXT  sing N N 278 
PHE   CB  CG   sing N N 279 
PHE   CB  HB2  sing N N 280 
PHE   CB  HB3  sing N N 281 
PHE   CG  CD1  doub Y N 282 
PHE   CG  CD2  sing Y N 283 
PHE   CD1 CE1  sing Y N 284 
PHE   CD1 HD1  sing N N 285 
PHE   CD2 CE2  doub Y N 286 
PHE   CD2 HD2  sing N N 287 
PHE   CE1 CZ   doub Y N 288 
PHE   CE1 HE1  sing N N 289 
PHE   CE2 CZ   sing Y N 290 
PHE   CE2 HE2  sing N N 291 
PHE   CZ  HZ   sing N N 292 
PHE   OXT HXT  sing N N 293 
PRO   N   CA   sing N N 294 
PRO   N   CD   sing N N 295 
PRO   N   H    sing N N 296 
PRO   CA  C    sing N N 297 
PRO   CA  CB   sing N N 298 
PRO   CA  HA   sing N N 299 
PRO   C   O    doub N N 300 
PRO   C   OXT  sing N N 301 
PRO   CB  CG   sing N N 302 
PRO   CB  HB2  sing N N 303 
PRO   CB  HB3  sing N N 304 
PRO   CG  CD   sing N N 305 
PRO   CG  HG2  sing N N 306 
PRO   CG  HG3  sing N N 307 
PRO   CD  HD2  sing N N 308 
PRO   CD  HD3  sing N N 309 
PRO   OXT HXT  sing N N 310 
SER   N   CA   sing N N 311 
SER   N   H    sing N N 312 
SER   N   H2   sing N N 313 
SER   CA  C    sing N N 314 
SER   CA  CB   sing N N 315 
SER   CA  HA   sing N N 316 
SER   C   O    doub N N 317 
SER   C   OXT  sing N N 318 
SER   CB  OG   sing N N 319 
SER   CB  HB2  sing N N 320 
SER   CB  HB3  sing N N 321 
SER   OG  HG   sing N N 322 
SER   OXT HXT  sing N N 323 
SO4   S   O1   doub N N 324 
SO4   S   O2   doub N N 325 
SO4   S   O3   sing N N 326 
SO4   S   O4   sing N N 327 
THR   N   CA   sing N N 328 
THR   N   H    sing N N 329 
THR   N   H2   sing N N 330 
THR   CA  C    sing N N 331 
THR   CA  CB   sing N N 332 
THR   CA  HA   sing N N 333 
THR   C   O    doub N N 334 
THR   C   OXT  sing N N 335 
THR   CB  OG1  sing N N 336 
THR   CB  CG2  sing N N 337 
THR   CB  HB   sing N N 338 
THR   OG1 HG1  sing N N 339 
THR   CG2 HG21 sing N N 340 
THR   CG2 HG22 sing N N 341 
THR   CG2 HG23 sing N N 342 
THR   OXT HXT  sing N N 343 
TRP   N   CA   sing N N 344 
TRP   N   H    sing N N 345 
TRP   N   H2   sing N N 346 
TRP   CA  C    sing N N 347 
TRP   CA  CB   sing N N 348 
TRP   CA  HA   sing N N 349 
TRP   C   O    doub N N 350 
TRP   C   OXT  sing N N 351 
TRP   CB  CG   sing N N 352 
TRP   CB  HB2  sing N N 353 
TRP   CB  HB3  sing N N 354 
TRP   CG  CD1  doub Y N 355 
TRP   CG  CD2  sing Y N 356 
TRP   CD1 NE1  sing Y N 357 
TRP   CD1 HD1  sing N N 358 
TRP   CD2 CE2  doub Y N 359 
TRP   CD2 CE3  sing Y N 360 
TRP   NE1 CE2  sing Y N 361 
TRP   NE1 HE1  sing N N 362 
TRP   CE2 CZ2  sing Y N 363 
TRP   CE3 CZ3  doub Y N 364 
TRP   CE3 HE3  sing N N 365 
TRP   CZ2 CH2  doub Y N 366 
TRP   CZ2 HZ2  sing N N 367 
TRP   CZ3 CH2  sing Y N 368 
TRP   CZ3 HZ3  sing N N 369 
TRP   CH2 HH2  sing N N 370 
TRP   OXT HXT  sing N N 371 
TYR   N   CA   sing N N 372 
TYR   N   H    sing N N 373 
TYR   N   H2   sing N N 374 
TYR   CA  C    sing N N 375 
TYR   CA  CB   sing N N 376 
TYR   CA  HA   sing N N 377 
TYR   C   O    doub N N 378 
TYR   C   OXT  sing N N 379 
TYR   CB  CG   sing N N 380 
TYR   CB  HB2  sing N N 381 
TYR   CB  HB3  sing N N 382 
TYR   CG  CD1  doub Y N 383 
TYR   CG  CD2  sing Y N 384 
TYR   CD1 CE1  sing Y N 385 
TYR   CD1 HD1  sing N N 386 
TYR   CD2 CE2  doub Y N 387 
TYR   CD2 HD2  sing N N 388 
TYR   CE1 CZ   doub Y N 389 
TYR   CE1 HE1  sing N N 390 
TYR   CE2 CZ   sing Y N 391 
TYR   CE2 HE2  sing N N 392 
TYR   CZ  OH   sing N N 393 
TYR   OH  HH   sing N N 394 
TYR   OXT HXT  sing N N 395 
VAL   N   CA   sing N N 396 
VAL   N   H    sing N N 397 
VAL   N   H2   sing N N 398 
VAL   CA  C    sing N N 399 
VAL   CA  CB   sing N N 400 
VAL   CA  HA   sing N N 401 
VAL   C   O    doub N N 402 
VAL   C   OXT  sing N N 403 
VAL   CB  CG1  sing N N 404 
VAL   CB  CG2  sing N N 405 
VAL   CB  HB   sing N N 406 
VAL   CG1 HG11 sing N N 407 
VAL   CG1 HG12 sing N N 408 
VAL   CG1 HG13 sing N N 409 
VAL   CG2 HG21 sing N N 410 
VAL   CG2 HG22 sing N N 411 
VAL   CG2 HG23 sing N N 412 
VAL   OXT HXT  sing N N 413 
# 
_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                    7HO9 
_atom_sites.fract_transf_matrix[1][1]   0.010476 
_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]   0.010476 
_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]   0.021872 
_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   ? -13.372 -12.766 -9.855  1.00 67.45 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.878 -13.396 -11.136 1.00 61.83 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.746 -12.550 -11.740 1.00 59.82 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.648 -11.336 -11.405 1.00 61.61 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -14.041 -13.606 -12.129 1.00 53.55 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.592 -12.350 -12.733 1.00 47.30 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.008 -11.740 -13.827 1.00 47.63 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.678 -11.604 -12.426 1.00 44.15 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.689 -10.654 -14.147 1.00 45.13 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.721 -10.543 -13.306 1.00 38.56 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.963 -13.158 -12.635 1.00 53.66 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.829  -12.526 -13.366 1.00 54.84 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.025 -12.664 -14.893 1.00 46.53 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.013  -12.855 -15.601 1.00 46.63 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.508  -13.104 -12.810 1.00 63.27 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.323  -12.860 -11.339 1.00 72.20 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.180  -11.582 -10.801 1.00 73.42 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.263  -13.710 -10.288 1.00 75.85 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -8.041  -11.664 -9.491  1.00 73.25 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.083  -12.959 -9.153  1.00 75.91 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.270 -12.500 -15.391 1.00 38.72 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.691 -12.690 -16.815 1.00 31.31 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.689 -11.354 -17.568 1.00 31.33 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.840 -11.370 -18.811 1.00 27.81 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.107 -13.298 -16.905 1.00 29.19 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.230 -14.661 -16.318 1.00 29.76 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.332 -15.691 -16.604 1.00 28.65 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.163 -15.194 -15.500 1.00 27.88 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.711 -16.787 -15.978 1.00 35.12 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.831 -16.508 -15.302 1.00 33.11 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.497 -10.237 -16.857 1.00 31.99 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.604 -8.851  -17.394 1.00 34.07 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.717 -8.649  -18.634 1.00 32.58 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.181 -7.951  -19.573 1.00 33.63 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.287 -7.793  -16.314 1.00 42.33 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.084 -7.937  -15.058 1.00 52.35 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.597 -8.614  -13.939 1.00 63.15 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.324 -7.500  -14.728 1.00 57.13 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.509 -8.589  -12.979 1.00 62.22 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.581 -7.912  -13.440 1.00 58.67 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.526  -9.273  -18.686 1.00 31.53 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.547  -9.145  -19.802 1.00 31.13 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.041  -9.769  -21.115 1.00 29.21 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.405  -9.505  -22.136 1.00 30.87 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.173  -9.726  -19.425 1.00 37.04 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.166  -11.166 -19.044 1.00 36.51 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.544  -12.134 -19.827 1.00 43.17 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.639  -11.807 -17.952 1.00 38.27 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.661  -13.309 -19.250 1.00 36.28 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.331  -13.140 -18.097 1.00 43.55 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.103 -10.589 -21.118 1.00 23.84 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.734 -11.120 -22.364 1.00 20.42 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.851 -10.204 -22.840 1.00 18.93 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.673 -10.676 -23.619 1.00 16.12 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.273 -12.521 -22.136 1.00 19.85 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.222 -13.486 -21.687 1.00 20.63 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.183  -13.827 -22.527 1.00 21.20 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.084 -14.179 -20.541 1.00 21.57 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.415  -14.692 -21.894 1.00 20.63 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.927  -14.932 -20.673 1.00 23.75 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.899 -8.986  -22.326 1.00 19.30 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.945 -7.995  -22.660 1.00 20.92 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.037 -7.835  -24.176 1.00 20.15 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.001 -7.704  -24.896 1.00 23.57 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.631 -6.648  -22.004 1.00 25.55 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.637 -5.533  -22.277 1.00 31.49 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.259 -5.737  -21.429 1.00 43.93 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.843 -5.133  -19.800 1.00 33.55 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.257 -7.817  -24.696 1.00 16.87 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.562 -7.593  -26.132 1.00 17.55 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.556 -6.416  -26.213 1.00 19.52 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.415 -6.265  -25.320 1.00 18.93 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.094 -8.840  -26.864 1.00 19.10 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.005 -9.888  -27.013 1.00 21.63 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.297 -9.470  -26.200 1.00 20.19 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.473 -5.645  -27.295 1.00 19.48 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.353 -4.480  -27.532 1.00 18.78 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.578 -4.972  -28.296 1.00 18.62 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.474 -5.355  -29.472 1.00 22.05 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.626 -3.392  -28.324 1.00 19.84 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.394 -2.121  -28.502 1.00 23.81 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.497 -1.176  -27.506 1.00 27.76 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.097 -1.648  -29.560 1.00 27.55 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.213 -0.150  -27.942 1.00 25.44 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.602 -0.419  -29.211 1.00 31.04 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.700 -5.093  -27.605 1.00 14.75 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.938 -5.596  -28.224 1.00 15.33 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.764 -4.405  -28.750 1.00 15.09 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.803 -3.385  -28.096 1.00 15.23 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.744 -6.417  -27.198 1.00 15.09 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.941 -7.630  -26.704 1.00 15.82 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.089 -6.814  -27.804 1.00 14.40 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.380 -8.540  -27.802 1.00 16.14 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.349 -4.587  -29.918 1.00 14.19 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.333 -3.613  -30.463 1.00 15.43 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.597 -4.371  -30.838 1.00 15.76 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.562 -5.595  -31.114 1.00 16.85 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.753 -2.832  -31.641 1.00 17.93 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.424 -3.733  -32.678 1.00 19.03 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.568 -1.963  -31.273 1.00 20.06 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.731 -3.663  -30.795 1.00 14.20 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.016 -4.324  -31.110 1.00 14.18 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.309 -4.318  -32.612 1.00 14.08 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -25.995 -3.298  -33.285 1.00 15.65 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.102 -3.595  -30.337 1.00 14.45 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.911 -3.639  -28.829 1.00 14.25 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.883 -2.710  -28.108 1.00 16.23 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.031 -5.082  -28.319 1.00 15.70 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.928 -5.352  -33.104 1.00 13.07 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.289 -5.524  -34.530 1.00 13.22 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.779 -5.128  -34.694 1.00 14.52 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.659 -5.927  -34.405 1.00 13.58 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.019 -6.951  -35.014 1.00 13.12 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.289 -7.222  -36.485 1.00 18.31 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.957 -6.369  -37.112 1.00 17.94 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -26.987 -8.345  -36.969 1.00 19.33 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -28.992 -3.905  -35.197 0.25 14.91 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.018 -3.913  -35.195 0.25 15.72 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.321 -3.290  -35.484 0.25 16.05 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.382 -3.344  -35.393 0.25 17.23 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.220 -4.245  -36.266 0.25 15.52 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.243 -4.259  -36.267 0.25 16.30 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.444 -4.254  -36.012 0.25 14.92 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.474 -4.274  -36.063 0.25 15.44 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.143 -2.027  -36.339 0.25 16.81 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.302 -1.964  -36.058 0.25 19.71 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.292 -0.948  -35.686 0.25 18.84 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.805 -0.860  -35.139 0.25 22.75 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.205 0.321   -36.529 0.25 19.30 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.371 -0.447  -35.438 0.25 26.77 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.672 1.392   -35.708 0.25 20.14 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.213 0.573   -36.480 0.25 28.43 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.374 1.995   -34.772 0.25 19.73 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.704 0.372   -37.697 0.25 31.21 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.635 1.647   -34.610 0.25 21.04 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.296 -0.823  -38.083 0.25 32.24 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.833 2.939   -34.028 0.25 20.70 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.606 1.384   -38.539 0.25 32.91 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.652 -4.985  -37.220 1.00 15.52 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.437 -5.834  -38.123 1.00 16.75 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.116 -6.991  -37.399 1.00 14.37 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.128 -7.491  -37.872 1.00 14.35 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.566 -6.302  -39.290 1.00 19.36 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.348 -5.187  -40.289 1.00 25.97 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.121 -4.232  -40.350 1.00 33.32 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.268 -5.292  -41.039 1.00 38.34 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.593 -7.387  -36.215 1.00 12.26 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.127 -8.511  -35.439 1.00 12.24 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.169 -8.034  -34.421 1.00 11.11 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.848 -8.861  -33.812 1.00 11.81 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.019 -9.283  -34.696 1.00 12.77 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.463 -8.459  -33.669 1.00 12.81 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -29.990 -9.851  -35.664 1.00 13.59 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.241 -6.730  -34.208 1.00 11.44 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.069 -6.179  -33.097 1.00 11.76 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.561 -6.387  -33.358 1.00 12.26 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.056 -6.093  -34.476 1.00 12.70 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.769 -4.728  -32.925 1.00 12.21 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.325 -6.696  -32.342 1.00 11.64 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.785 -6.493  -32.372 1.00 11.29 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.052 -5.052  -32.819 1.00 10.81 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.340 -4.099  -32.488 1.00 10.71 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.314 -6.813  -30.985 1.00 11.95 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.787 -6.554  -30.866 1.00 13.96 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.231 -5.424  -30.683 1.00 13.77 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.533 -7.607  -30.987 1.00 18.69 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.123 -4.899  -33.580 1.00 10.96 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.479 -3.628  -34.239 1.00 11.92 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.886 -2.545  -33.248 1.00 11.63 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -39.965 -1.384  -33.715 1.00 12.41 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.609 -3.851  -35.243 1.00 13.19 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.741 -4.316  -34.545 1.00 15.46 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.062 -2.798  -31.957 1.00 10.56 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.373 -1.753  -30.965 1.00 11.25 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.119 -1.267  -30.247 1.00 11.29 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.219 -0.344  -29.443 1.00 11.86 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.379 -2.278  -29.973 1.00 12.01 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.779 -2.396  -30.523 1.00 12.45 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.171 -2.933  -31.717 1.00 12.90 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.962 -1.985  -29.850 1.00 14.50 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.546 -2.844  -31.836 1.00 14.90 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.041 -2.316  -30.694 1.00 13.69 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.212 -1.390  -28.614 1.00 15.99 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.372 -2.049  -30.317 1.00 17.34 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.528 -1.128  -28.250 1.00 18.32 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.580 -1.502  -29.075 1.00 19.48 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.945 -1.876  -30.532 1.00 11.46 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.722 -1.475  -29.799 1.00 11.97 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.118 -0.207  -30.427 1.00 11.83 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.129 -0.026  -31.653 1.00 12.41 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.706 -2.620  -29.808 1.00 10.76 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.161 -3.876  -29.091 1.00 11.38 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.037 -4.893  -29.058 1.00 11.62 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.599 -3.614  -27.686 1.00 13.33 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.480 0.562   -29.570 1.00 11.29 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.706 1.776   -29.925 1.00 12.65 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.266 1.545   -29.487 1.00 13.03 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.002 1.436   -28.278 1.00 13.19 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.274 3.016   -29.282 1.00 13.24 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.753 3.274   -29.671 1.00 14.21 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.413 4.243   -29.653 1.00 14.87 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.421 4.336   -28.890 1.00 16.01 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.402 1.472   -30.479 1.00 15.21 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.940 1.274   -30.259 1.00 15.19 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.247 2.610   -30.412 1.00 16.86 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.519 3.354   -31.413 1.00 17.47 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.401 0.219   -31.204 1.00 15.94 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.965 -1.150  -30.851 1.00 19.06 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.870 0.175   -31.160 1.00 17.14 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.722 -2.142  -31.835 1.00 21.43 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.355 2.958   -29.512 1.00 15.94 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.651 4.246   -29.543 1.00 16.17 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.746 4.314   -30.794 1.00 14.93 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.364 3.307   -31.360 1.00 15.80 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.907 4.412   -28.268 1.00 17.23 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.943 3.370   -28.158 1.00 17.04 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.365 5.557   -31.153 1.00 18.76 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.465 5.810   -32.309 1.00 19.12 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.171 4.993   -32.194 1.00 17.34 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.707 4.517   -33.224 1.00 20.21 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.127 7.308   -32.346 1.00 21.00 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.180 7.701   -33.447 1.00 25.23 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.328 9.158   -33.754 1.00 24.97 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.196 9.994   -32.511 1.00 30.95 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.397 11.401  -32.877 1.00 34.33 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.608 4.907   -30.984 1.00 18.23 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.324 4.172   -30.770 1.00 17.11 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.559 2.643   -30.746 1.00 16.41 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.554 1.907   -30.666 1.00 16.63 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.574 4.670   -29.537 1.00 18.25 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.242 4.414   -28.202 1.00 18.42 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.342 3.732   -28.190 1.00 19.13 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.625 4.804   -27.184 1.00 22.02 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.787 2.162   -30.873 1.00 14.80 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.141 0.725   -30.875 1.00 14.72 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.710 0.078   -29.543 1.00 12.44 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.546 -1.170  -29.552 1.00 13.50 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.614 0.050   -32.143 1.00 18.52 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.270 0.635   -33.394 1.00 23.12 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.868 0.016   -34.697 1.00 29.76 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.445 -0.207  -34.860 1.00 37.52 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.795 -1.390  -34.770 1.00 50.20 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.417 -2.545  -34.505 1.00 43.63 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.483 -1.403  -34.971 1.00 57.12 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.670 0.804   -28.461 1.00 11.96 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.293 0.263   -27.136 1.00 13.39 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.443 0.264   -26.149 1.00 13.46 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.274 -0.306  -25.048 1.00 14.24 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.118 1.048   -26.550 1.00 14.24 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.881 0.954   -27.436 1.00 17.25 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -20.997 -0.226  -27.219 1.00 18.18 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.267 -0.048  -25.967 1.00 19.55 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.533 -0.995  -25.374 1.00 18.64 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.443 -2.179  -25.924 1.00 19.14 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.896 -0.731  -24.252 1.00 19.57 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.599 0.857   -26.449 1.00 12.41 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.752 0.889   -25.541 1.00 13.05 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.016 0.508   -26.303 1.00 12.69 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.121 0.761   -27.526 1.00 13.34 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -27.965 2.289   -24.962 1.00 15.21 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.722 2.893   -24.363 1.00 19.07 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.085 4.129   -23.569 1.00 23.26 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.242 4.354   -23.180 1.00 26.17 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.088 4.952   -23.336 1.00 27.90 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.948 -0.111  -25.604 1.00 12.39 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.233 -0.500  -26.222 1.00 11.81 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.325 -0.339  -25.177 1.00 12.06 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.140 -0.709  -24.013 1.00 11.26 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.176 -1.898  -26.826 1.00 11.07 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.773 -2.965  -25.804 1.00 11.15 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.506 -2.273  -27.457 1.00 11.88 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.481 0.164   -25.579 1.00 11.97 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.673 0.231   -24.710 1.00 12.15 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.930 -0.063  -25.536 1.00 11.45 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.926 0.013   -26.767 1.00 10.98 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.789 1.599   -24.036 1.00 13.68 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.067 2.731   -25.005 1.00 15.67 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -35.007 4.047   -24.221 1.00 18.75 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.274 5.159   -25.107 1.00 23.30 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.468 5.650   -25.391 1.00 20.23 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.574 5.126   -24.906 1.00 24.21 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.537 6.695   -26.226 1.00 26.32 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -36.984 -0.386  -24.792 0.30 11.67 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.005 -0.476  -24.867 0.24 12.22 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.346 -0.627  -25.325 0.30 13.28 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.274 -0.764  -25.589 0.24 13.53 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -38.984 0.722   -25.671 0.30 13.05 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.086 0.528   -25.673 0.24 13.26 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -39.007 1.610   -24.820 0.30 14.27 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.414 1.093   -24.598 0.24 12.47 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.172 -1.370  -24.266 0.30 13.49 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.127 -1.849  -24.926 0.24 14.99 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.554 -1.813  -24.744 0.30 14.99 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.453 -2.092  -25.693 0.24 16.80 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.431 -2.867  -26.247 0.30 17.50 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.275 -3.581  -25.096 0.24 18.64 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -41.987 -3.751  -26.247 0.30 16.92 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.658 -3.613  -26.236 0.24 18.58 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.396 0.897   -26.919 1.00 13.29 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.222 2.063   -27.295 1.00 15.28 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.665 1.865   -26.904 1.00 15.99 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.071 0.757   -26.518 1.00 15.84 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.446 2.967   -26.942 1.00 19.83 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.895 2.869   -26.574 1.00 22.08 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.715 2.496   -27.833 1.00 21.96 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.943 2.285   -27.696 1.00 22.91 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.383 4.128   -25.821 1.00 28.15 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.919 4.248   -24.353 1.00 39.04 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.738 3.200   -23.678 1.00 41.55 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.769 5.397   -23.854 1.00 41.28 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.084 2.234   -28.968 1.00 16.79 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.776 1.899   -30.256 1.00 16.49 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.815 1.227   -31.237 1.00 13.96 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.534 1.220   -31.024 1.00 12.73 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.364 3.210   -30.795 1.00 18.29 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.250 2.928   -31.854 1.00 20.74 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.285 4.137   -31.301 1.00 20.80 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.312 0.756   -32.376 1.00 14.50 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.478 0.288   -33.512 1.00 13.38 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.536 1.399   -33.951 1.00 14.30 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.027 2.564   -34.145 1.00 15.15 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.422 -0.194  -34.613 1.00 13.22 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.811 -0.819  -35.807 1.00 12.45 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.018 -0.173  -36.734 1.00 12.81 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -43.925 -2.106  -36.241 1.00 12.48 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.686 -1.014  -37.681 1.00 13.02 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.230 -2.253  -37.394 1.00 12.41 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.263 1.092   -34.213 1.00 12.82 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.241 2.114   -34.469 1.00 12.59 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.060 2.381   -35.969 1.00 13.74 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.036 2.985   -36.367 1.00 15.02 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -38.943 1.707   -33.754 1.00 12.41 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.089 1.800   -32.259 1.00 13.31 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.578 3.120   -31.735 1.00 13.43 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.528 3.246   -30.955 1.00 17.90 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.955 4.185   -32.200 1.00 12.88 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.033 1.996   -36.791 1.00 13.10 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.104 2.454   -38.218 1.00 12.91 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.008 1.843   -39.072 1.00 14.03 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.566 2.445   -40.058 1.00 15.74 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.145 3.997   -38.336 1.00 13.62 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.800 4.428   -39.646 1.00 13.63 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.679 3.743   -40.168 1.00 12.91 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.378 5.571   -40.205 1.00 12.81 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.644 0.600   -38.793 1.00 16.12 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.664 -0.212  -39.560 1.00 16.63 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.421 -1.257  -40.404 1.00 15.59 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.485 -1.687  -39.991 1.00 15.63 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.635 -0.887  -38.624 1.00 17.35 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.728 0.147   -37.979 1.00 20.86 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.276 -1.770  -37.569 1.00 18.40 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.858 -1.700  -41.528 1.00 17.69 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.406 -2.837  -42.288 1.00 18.67 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.204 -4.143  -41.533 1.00 17.56 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.265 -4.255  -40.722 1.00 16.56 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.785 -2.912  -43.669 1.00 21.25 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.375 -3.009  -43.553 1.00 22.76 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.046 -5.127  -41.779 1.00 18.08 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.879 -6.468  -41.198 1.00 17.43 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.802 -7.212  -41.985 1.00 18.85 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.550 -6.893  -43.167 1.00 19.03 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.197 -7.221  -41.188 1.00 19.21 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.108 -8.471  -40.358 1.00 24.00 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.398 -8.463  -39.261 1.00 17.88 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -41.601 -9.484  -40.895 1.00 28.51 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.180 -8.210  -41.356 1.00 17.16 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.171 -9.074  -42.015 1.00 17.84 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.135 -10.394 -41.231 1.00 18.14 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.732 -10.493 -40.118 1.00 18.77 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.818 -8.403  -42.187 1.00 17.59 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.094 -8.224  -40.871 1.00 17.75 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -34.948 -9.189  -40.120 1.00 19.82 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.691 -7.044  -40.558 1.00 16.73 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.499 -11.410 -41.776 1.00 19.32 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.553 -12.775 -41.204 1.00 20.19 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.649 -12.866 -39.950 1.00 17.56 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.854 -13.836 -39.176 1.00 18.24 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.062 -13.799 -42.242 1.00 23.55 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.633 -13.571 -42.686 1.00 28.70 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.226 -14.349 -43.934 1.00 39.43 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.722 -14.526 -44.005 1.00 44.83 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.347 -15.490 -45.069 1.00 52.05 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.752 -11.908 -39.755 1.00 16.89 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.827 -11.877 -38.568 1.00 16.92 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.560 -11.366 -37.310 1.00 16.35 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.140 -11.707 -36.169 1.00 17.27 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.611 -11.006 -38.816 1.00 19.55 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.705 -11.452 -39.970 1.00 23.61 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.544 -10.476 -40.127 1.00 28.95 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.564 -9.662  -41.102 1.00 36.24 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.633 -10.465 -39.274 1.00 33.27 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.606 -10.538 -37.425 1.00 14.50 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.141 -9.815  -36.243 1.00 14.35 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.847 -10.764 -35.307 1.00 13.28 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.712 -11.583 -35.692 1.00 14.43 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.148 -8.735  -36.662 1.00 12.84 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.543 -7.588  -37.433 1.00 14.44 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.489 -6.351  -37.415 1.00 13.92 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -36.963 -5.341  -38.298 1.00 15.49 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.871 -4.617  -38.072 1.00 14.47 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.267 -4.649  -36.880 1.00 13.35 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.387 -3.790  -39.002 1.00 17.05 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.553 -10.683 -34.009 1.00 12.51 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.366 -11.392 -33.008 1.00 11.88 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.790 -10.788 -33.010 1.00 13.88 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -38.938 -9.579  -32.784 1.00 14.21 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.785 -11.302 -31.608 1.00 11.31 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.539 -12.145 -31.450 1.00 10.46 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.658 -13.517 -31.223 1.00 10.93 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.264 -11.596 -31.531 1.00 11.31 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.515 -14.302 -31.078 1.00 11.91 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.126 -12.394 -31.374 1.00 11.35 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.282 -13.754 -31.184 1.00 10.42 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.814 -11.574 -33.269 1.00 14.07 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.193 -11.038 -33.455 1.00 15.41 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -41.948 -10.937 -32.143 1.00 15.61 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.739 -9.972  -32.002 1.00 18.06 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -41.914 -11.914 -34.470 1.00 16.42 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.091 -13.238 -34.035 1.00 16.00 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.823 -11.866 -31.221 1.00 13.62 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.756 -12.022 -30.080 1.00 15.06 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.277 -11.333 -28.810 1.00 14.18 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.067 -11.143 -27.879 1.00 15.89 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.073 -13.484 -29.782 1.00 16.67 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -43.986 -14.147 -30.820 1.00 18.44 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.825 -13.981 -32.031 1.00 21.64 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -44.953 -14.889 -30.306 1.00 25.11 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -40.973 -11.048 -28.728 1.00 12.39 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.376 -10.566 -27.467 1.00 11.72 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.392 -9.425  -27.781 1.00 11.09 ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.862 -9.343  -28.885 1.00 11.63 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.582 -11.701 -26.805 1.00 12.34 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.293 -13.032 -26.714 1.00 13.32 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.294 -13.223 -25.768 1.00 14.88 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -39.987 -14.103 -27.550 1.00 14.16 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -41.967 -14.439 -25.659 1.00 16.95 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.697 -15.296 -27.501 1.00 15.53 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.662 -15.472 -26.528 1.00 16.03 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.299 -16.689 -26.462 1.00 16.94 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.090 -8.543  -26.801 1.00 10.80 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.221 -7.375  -26.985 1.00 10.92 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.707 -7.705  -26.985 1.00 9.91  ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -35.953 -7.186  -26.198 1.00 10.68 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.621 -6.413  -25.814 1.00 12.89 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.855 -7.024  -25.208 1.00 13.31 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.742 -8.486  -25.498 1.00 11.55 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.332 -8.593  -27.926 1.00 10.16 ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -34.982 -9.193  -28.009 1.00 9.08  ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.191 -8.588  -29.143 1.00 9.78  ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.704 -8.108  -30.172 1.00 10.31 ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.114 -10.704 -28.210 1.00 9.90  ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.666 -11.400 -27.010 1.00 9.51  ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.166 -13.093 -27.408 1.00 11.51 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.775 -13.708 -25.856 1.00 12.01 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.864 -8.657  -28.996 1.00 9.63  ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.882 -8.195  -30.005 1.00 9.77  ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.579 -8.978  -29.798 1.00 10.54 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.294 -9.388  -28.638 1.00 10.63 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.673 -6.666  -29.955 1.00 10.27 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.155 -6.202  -28.613 1.00 10.84 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.804 -6.130  -31.106 1.00 10.69 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.813 -9.160  -30.845 1.00 10.52 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.481 -9.798  -30.773 1.00 10.15 ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.369 -8.789  -30.894 1.00 11.34 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.476 -7.726  -31.601 1.00 11.90 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.323 -10.842 -31.879 1.00 11.32 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.382 -11.925 -31.913 1.00 11.14 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.105 -13.018 -32.940 1.00 13.59 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.601 -12.569 -30.560 1.00 12.10 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.221 -9.129  -30.324 1.00 11.11 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -24.956 -8.454  -30.697 1.00 11.41 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.558 -8.773  -32.143 1.00 11.36 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.880 -9.835  -32.631 1.00 11.87 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.800 -7.885  -32.745 1.00 12.59 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.295 -8.050  -34.132 1.00 13.88 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.176 -9.098  -34.176 1.00 15.49 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.009 -9.777  -35.210 1.00 18.46 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.819 -6.713  -34.599 1.00 15.82 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.458 -9.225  -33.069 1.00 14.71 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.247 -10.084 -33.055 1.00 14.69 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.680 -11.549 -33.059 1.00 16.16 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.708 -11.928 -32.446 1.00 16.67 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.376 -9.735  -31.841 1.00 16.61 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.698 -8.379  -31.900 1.00 18.44 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.643 -7.197  -31.775 1.00 18.76 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.591 -7.262  -31.005 1.00 17.40 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.397 -6.109  -32.479 1.00 20.99 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.932 -12.400 -33.761 1.00 15.83 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.076 -13.864 -33.769 1.00 15.65 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.797 -14.492 -33.226 1.00 14.39 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.689 -14.040 -33.589 1.00 16.84 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.236 -14.424 -35.196 1.00 20.09 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.614 -14.262 -35.837 1.00 28.65 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.104 -12.832 -35.776 1.00 30.64 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -23.015 -12.162 -36.718 1.00 36.33 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.692 -12.685 -37.738 1.00 36.18 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.471 -11.896 -38.463 1.00 39.50 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.616 -13.959 -38.045 1.00 34.51 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.940 -15.434 -32.331 1.00 13.99 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.783 -16.092 -31.667 1.00 13.79 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.844 -17.590 -31.934 1.00 12.83 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.861 -18.240 -31.700 1.00 12.71 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.864 -15.836 -30.144 1.00 15.41 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.863 -14.361 -29.771 1.00 17.38 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.841 -13.548 -30.239 1.00 19.75 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.849 -13.785 -29.010 1.00 24.81 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.778 -12.191 -29.956 1.00 23.20 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.768 -12.426 -28.688 1.00 19.55 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.781 -11.638 -29.211 1.00 21.38 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.733 -18.168 -32.419 0.25 13.15 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.731 -18.168 -32.413 0.25 13.48 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.639 -19.623 -32.723 0.25 13.52 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.610 -19.624 -32.702 0.25 14.07 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.423 -20.266 -32.034 0.25 13.28 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.341 -20.202 -32.079 0.25 14.14 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.276 -21.510 -32.146 0.25 13.03 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.935 -21.304 -32.481 0.25 13.48 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.672 -19.870 -34.223 0.25 13.59 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.588 -19.878 -34.172 0.25 14.10 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.015 -19.735 -34.720 0.25 14.37 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.528 -19.150 -34.736 0.25 15.01 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.639 -19.477 -31.285 0.25 13.06 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.716 -19.474 -31.159 0.25 14.61 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.435 -19.940 -30.549 0.25 13.96 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.452 -19.904 -30.529 0.25 16.16 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.131 -18.968 -29.408 0.25 14.56 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.039 -18.895 -29.466 0.25 15.75 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.747 -17.903 -29.384 0.25 14.19 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.433 -17.713 -29.593 0.25 14.66 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.246 -20.047 -31.496 0.25 13.76 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.374 -20.028 -31.577 0.25 17.39 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.788 -18.769 -31.897 0.25 13.66 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.180 -20.487 -30.975 0.25 20.73 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.202 -19.328 -28.521 1.00 15.97 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.595 -18.372 -27.586 1.00 17.30 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.441 -18.071 -26.355 1.00 13.53 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.456 -18.740 -26.097 1.00 15.25 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.936 -17.082 -25.646 1.00 13.84 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.501 -16.605 -24.387 1.00 14.48 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.932 -15.161 -24.622 1.00 14.58 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.141 -14.338 -25.121 1.00 15.93 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.478 -16.735 -23.261 1.00 16.03 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.120 -18.168 -22.885 1.00 16.42 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -9.936  -18.241 -21.876 1.00 19.57 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.633  -19.649 -21.431 1.00 22.96 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.548  -19.627 -20.421 1.00 25.42 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.141 -14.810 -24.194 1.00 13.61 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.760 -13.488 -24.410 1.00 13.70 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.427 -13.040 -23.107 1.00 12.81 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.017 -13.863 -22.422 1.00 13.23 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.870 -13.584 -25.445 1.00 13.95 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.453 -13.730 -26.889 1.00 14.36 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.698 -15.321 -27.413 1.00 16.65 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.924 -16.528 -26.969 1.00 16.22 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.420 -11.759 -22.824 1.00 13.10 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.008 -11.190 -21.591 1.00 13.32 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.626 -9.863  -21.965 1.00 13.82 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -15.989 -9.041  -22.676 1.00 13.35 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -14.950 -10.999 -20.504 1.00 14.21 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.465 -10.400 -19.222 1.00 13.63 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.205 -11.166 -18.335 1.00 13.19 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.291 -9.048  -18.948 1.00 13.97 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.713 -10.629 -17.150 1.00 14.15 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.818 -8.499  -17.783 1.00 13.28 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.533 -9.270  -16.895 1.00 13.95 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.036 -8.704  -15.755 1.00 15.82 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.822 -9.590  -21.471 1.00 11.42 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.409 -8.227  -21.579 1.00 11.69 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.300 -7.965  -20.357 1.00 12.51 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.658 -8.900  -19.639 1.00 12.56 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.141 -8.024  -22.937 1.00 11.50 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.313 -8.907  -23.193 1.00 11.20 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.646 -8.610  -22.991 1.00 11.09 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.324 -10.223 -23.734 1.00 11.98 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.445 -9.656  -23.356 1.00 11.71 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.657 -10.665 -23.826 1.00 12.43 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.291 -11.085 -24.138 1.00 13.67 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -22.000 -11.898 -24.345 1.00 12.52 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.623 -12.314 -24.663 1.00 15.73 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -20.952 -12.729 -24.728 1.00 14.09 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.705 -6.697  -20.193 1.00 11.62 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.544 -6.261  -19.046 1.00 11.23 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.762 -5.466  -19.501 1.00 10.84 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.681 -4.775  -20.512 1.00 11.85 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.749 -5.414  -18.053 1.00 12.79 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.671 -6.252  -17.363 1.00 15.11 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.812 -5.497  -16.371 1.00 18.68 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -17.961 -4.232  -16.313 1.00 22.94 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -16.970 -6.167  -15.649 1.00 17.53 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.875 -5.699  -18.826 1.00 11.44 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.149 -5.047  -19.163 1.00 11.02 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.703 -4.368  -17.925 1.00 10.60 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.820 -4.995  -16.865 1.00 12.03 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.157 -6.053  -19.725 1.00 11.13 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.400 -5.323  -20.182 1.00 12.17 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.537 -6.927  -20.802 1.00 12.34 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.151 -3.109  -18.088 1.00 11.07 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.832 -2.338  -17.028 1.00 12.44 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.324 -2.615  -17.062 1.00 10.67 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -27.949 -2.504  -18.178 1.00 11.81 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.556 -0.838  -17.199 1.00 13.77 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.951 -0.018  -15.969 1.00 16.82 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.092 -0.011  -15.622 1.00 16.11 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.038 0.416   -15.226 1.00 21.89 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.890 -3.026  -15.924 1.00 11.34 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.331 -3.363  -15.767 1.00 11.57 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.034 -2.447  -14.740 1.00 12.39 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.093 -2.790  -14.242 1.00 12.75 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.489 -4.872  -15.417 1.00 11.60 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -28.918 -5.778  -16.547 1.00 11.42 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.865 -5.256  -14.081 1.00 12.43 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.395 -1.343  -14.390 1.00 12.76 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.901 -0.426  -13.347 1.00 14.10 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.381 -0.090  -13.574 1.00 14.18 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.795 0.238   -14.687 1.00 14.62 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.088 0.865   -13.346 1.00 15.06 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.705 0.603   -13.055 1.00 18.07 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.663 1.816   -12.316 1.00 18.22 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.121 -0.230  -12.481 1.00 16.24 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.553 0.099   -12.270 1.00 19.40 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.494 -0.698  -13.157 1.00 20.24 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.703 -0.437  -13.118 1.00 23.89 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.797 1.603   -12.357 1.00 26.79 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.526 2.251   -13.699 1.00 33.88 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.532 3.334   -14.035 1.00 38.38 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.191 4.371   -14.604 1.00 42.72 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.804 3.051   -13.783 1.00 43.69 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.058 -1.756  -13.807 1.00 14.05 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -35.001 -2.621  -14.522 1.00 12.79 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.686 -3.646  -13.622 1.00 11.65 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.046 -4.176  -12.648 1.00 13.61 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.260 -3.320  -15.661 1.00 12.81 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.822 -2.347  -16.780 1.00 13.38 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.343 -2.956  -18.060 1.00 14.36 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.410 -3.709  -18.807 1.00 12.61 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.607 -2.866  -19.134 1.00 11.20 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -36.916 -3.975  -13.955 1.00 10.71 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.716 -4.992  -13.268 1.00 10.46 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.647 -6.355  -13.946 1.00 10.35 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.022 -7.367  -13.371 1.00 11.44 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.204 -4.586  -13.223 1.00 11.94 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.489 -3.320  -12.441 1.00 13.35 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -40.951 -2.877  -12.562 1.00 13.22 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.342 -2.043  -11.751 1.00 16.95 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.668 -3.412  -13.423 1.00 14.85 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.289 -6.396  -15.230 1.00 10.55 ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.315 -7.641  -16.007 1.00 10.31 ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.349 -7.512  -17.183 1.00 11.09 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.284 -6.445  -17.855 1.00 10.62 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.700 -7.947  -16.505 1.00 11.00 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.603 -8.591  -17.438 1.00 10.33 ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.616 -8.665  -18.561 1.00 9.78  ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.111 -10.087 -18.642 1.00 9.94  ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.212 -10.832 -17.675 1.00 10.73 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.449 -7.671  -18.362 1.00 10.51 ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.780 -7.716  -17.026 1.00 10.72 ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -32.995 -6.877  -15.990 1.00 11.84 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.813 -8.664  -16.497 1.00 10.55 ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.230 -7.163  -14.906 1.00 11.72 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.532 -8.320  -15.168 1.00 11.63 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.178 -9.820  -17.021 1.00 11.28 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.573 -8.949  -14.386 1.00 11.62 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.273 -10.492 -16.226 1.00 11.35 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -30.003 -10.079 -14.916 1.00 11.69 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.601 -10.425 -19.814 1.00 9.99  ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.831 -11.688 -20.037 1.00 10.43 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.454 -11.297 -20.599 1.00 10.23 ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.407 -10.404 -21.471 1.00 9.94  ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.497 -12.656 -21.008 1.00 11.43 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -34.991 -12.869 -20.880 1.00 13.15 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.420 -12.901 -19.763 1.00 15.96 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.666 -13.059 -21.920 1.00 15.12 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.378 -11.999 -20.242 1.00 9.06  ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.020 -11.746 -20.761 1.00 9.22  ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.302 -13.070 -20.930 1.00 9.11  ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.454 -13.989 -20.129 1.00 9.25  ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.215 -10.885 -19.801 1.00 9.68  ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.562 -9.408  -19.698 1.00 11.35 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.741 -8.795  -18.553 1.00 12.24 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.334 -8.725  -21.015 1.00 11.24 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.485 -13.124 -21.992 1.00 8.23  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.503 -14.224 -22.110 1.00 9.18  ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -25.970 -14.296 -23.518 1.00 8.53  ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.582 -13.273 -24.089 1.00 9.06  ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.899 -15.522 -24.032 0.25 8.79  ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -25.942 -15.499 -24.066 0.25 9.08  ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.495 -15.812 -25.433 0.25 8.91  ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.379 -15.760 -25.416 0.25 9.34  ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.483 -16.790 -26.052 0.25 9.34  ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.287 -16.835 -26.039 0.25 9.72  ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.213 -17.513 -25.350 0.25 9.95  ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.858 -17.622 -25.281 0.25 10.40 ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.079 -16.407 -25.542 0.25 9.50  ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.894 -16.174 -25.269 0.25 10.35 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.063 -15.346 -25.211 0.25 9.34  ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.763 -17.578 -24.701 0.25 10.49 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.892 -17.639 -24.669 0.25 9.54  ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.108 -16.037 -26.559 0.25 10.87 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.445 -16.848 -27.371 1.00 9.45  ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.263 -17.830 -28.065 1.00 10.50 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.593 -18.242 -29.372 1.00 10.46 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.716 -17.525 -29.891 1.00 10.35 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.672 -17.306 -28.345 1.00 11.70 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.759 -15.895 -29.478 1.00 11.80 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.030 -19.367 -29.900 0.25 10.47 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.015 -19.385 -29.896 0.25 10.26 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.614 -19.764 -31.265 0.25 11.13 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.585 -19.853 -31.244 0.25 10.76 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.034 -18.707 -32.283 0.25 11.07 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.087 -18.866 -32.319 0.25 11.07 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.088 -18.094 -32.168 0.25 10.34 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.277 -18.443 -32.250 0.25 10.52 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.263 -21.086 -31.648 0.25 12.25 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.113 -21.277 -31.470 0.25 11.43 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.835 -22.200 -30.719 0.25 12.74 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.430 -22.023 -32.608 0.25 11.52 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.325 -23.538 -31.205 0.25 14.15 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -26.973 -23.412 -32.852 0.25 11.43 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -26.979 -24.594 -30.264 0.25 13.52 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.838 -24.231 -31.669 0.25 11.36 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.801 -25.567 -29.930 0.25 14.16 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.853 -24.797 -31.016 0.25 11.45 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.019 -25.595 -30.438 0.25 14.04 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.076 -24.714 -31.484 0.25 12.51 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.397 -26.499 -29.091 0.25 15.02 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.627 -25.488 -29.916 0.25 11.73 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.258 -18.576 -33.340 1.00 11.79 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.654 -17.680 -34.450 1.00 13.29 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -27.948 -18.202 -35.066 1.00 14.21 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.690 -17.337 -35.616 1.00 17.32 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.531 -17.593 -35.483 1.00 15.72 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.132 -18.878 -36.153 1.00 19.04 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.635 -19.985 -35.771 1.00 21.93 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.325 -18.762 -37.128 1.00 23.82 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.250 -19.501 -35.038 1.00 13.57 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.415 -20.102 -35.730 1.00 16.42 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.683 -20.228 -34.858 1.00 13.66 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.579 -20.954 -35.216 1.00 14.95 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -28.999 -21.452 -36.281 1.00 17.81 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.524 -22.267 -35.292 1.00 18.29 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.744 -19.578 -33.685 1.00 12.80 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -31.978 -19.661 -32.881 1.00 12.65 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.179 -19.155 -33.689 1.00 12.89 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.063 -18.231 -34.512 1.00 13.56 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.890 -18.912 -31.523 1.00 11.87 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.869 -19.575 -30.613 1.00 11.80 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.655 -17.432 -31.649 1.00 12.21 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.297 -19.767 -33.377 1.00 14.02 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.650 -19.341 -33.847 1.00 15.32 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.856 -17.850 -33.547 1.00 14.45 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.570 -17.408 -32.430 1.00 14.85 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.675 -20.220 -33.130 1.00 17.87 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.155 -19.924 -33.416 1.00 20.85 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.047 -20.765 -32.511 1.00 24.33 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.628 -21.763 -31.881 1.00 24.91 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.326 -20.385 -32.418 1.00 25.68 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.434 -17.117 -34.480 1.00 13.44 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.708 -15.656 -34.339 1.00 12.07 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.222 -15.433 -34.210 1.00 13.68 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.587 -14.403 -33.620 1.00 14.03 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.190 -14.850 -35.518 1.00 13.45 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.715 -15.044 -35.835 1.00 13.07 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.799 -14.831 -34.606 1.00 13.84 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.412 -15.289 -34.914 1.00 14.65 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.493 -14.588 -35.543 1.00 14.00 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.748 -13.363 -35.924 1.00 16.11 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.321 -15.123 -35.824 1.00 17.09 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.067 -16.276 -34.817 1.00 14.28 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.522 -16.001 -34.970 1.00 14.27 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.328 -16.893 -34.065 1.00 16.32 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.969 -18.093 -33.906 1.00 17.90 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -40.929 -16.171 -36.441 1.00 14.81 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.085 -15.437 -37.445 1.00 15.67 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.028 -13.921 -37.206 1.00 17.12 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.223 -13.262 -38.286 1.00 16.95 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.159 -11.791 -38.135 1.00 17.47 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.396 -16.389 -33.482 1.00 16.28 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.272 -17.190 -32.630 1.00 16.58 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.799 -17.329 -31.200 1.00 18.39 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.810 -16.606 -30.799 1.00 16.89 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.449 -18.234 -30.478 1.00 18.59 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.194 -18.494 -29.059 1.00 19.97 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.118 -19.565 -28.912 1.00 19.33 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.018 -20.487 -29.748 1.00 19.61 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.498 -18.925 -28.378 1.00 23.30 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.515 -17.805 -28.435 1.00 30.18 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.866 -18.298 -28.021 1.00 39.91 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.199 -18.267 -26.838 1.00 52.14 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.613 -18.806 -28.995 1.00 42.83 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.266 -19.365 -27.918 1.00 16.57 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.229 -20.348 -27.540 1.00 15.99 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.736 -20.072 -26.131 1.00 16.16 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.885 -18.954 -25.595 1.00 17.67 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.037 -20.297 -28.498 1.00 15.80 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.422 -18.924 -28.637 1.00 15.09 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.409 -18.525 -27.777 1.00 15.26 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.760 -18.075 -29.678 1.00 15.05 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.795 -17.294 -27.919 1.00 14.68 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.151 -16.841 -29.815 1.00 14.29 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.151 -16.463 -28.947 1.00 14.87 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.187 -21.093 -25.478 0.25 16.37 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.147 -21.114 -25.541 0.25 15.80 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.553 -20.918 -24.150 0.25 16.80 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.502 -21.088 -24.208 0.25 15.89 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.041 -20.775 -24.324 0.25 15.54 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.008 -20.778 -24.358 0.25 14.91 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.464 -21.321 -25.286 0.25 15.72 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.397 -21.210 -25.369 0.25 14.82 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.870 -22.034 -23.216 0.25 19.23 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.714 -22.394 -23.496 0.25 17.24 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.529 -23.261 -23.825 0.25 21.65 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.089 -22.553 -23.160 0.25 18.91 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.443 -20.040 -23.398 1.00 14.02 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -34.986 -19.877 -23.316 1.00 14.25 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.410 -21.090 -22.622 1.00 14.32 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.508 -21.236 -21.415 1.00 15.86 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.625 -18.597 -22.574 1.00 14.49 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.120 -17.305 -23.201 1.00 15.68 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.759 -16.118 -22.306 1.00 16.36 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.578 -17.102 -24.609 1.00 16.91 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.699 -21.941 -23.362 1.00 13.63 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.125 -23.184 -22.823 1.00 13.14 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.919 -23.544 -23.676 1.00 11.42 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.892 -23.211 -24.865 1.00 11.57 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.068 -24.357 -22.828 1.00 15.24 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.408 -24.714 -24.155 1.00 18.45 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -30.979 -24.314 -23.145 1.00 11.64 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.866 -24.798 -23.960 1.00 12.88 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.362 -25.688 -25.105 1.00 12.98 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.781 -25.580 -26.221 1.00 13.00 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -28.967 -25.575 -22.975 1.00 13.47 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.258 -24.874 -21.650 1.00 13.38 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.740 -24.565 -21.721 1.00 12.94 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.445 -26.431 -24.906 1.00 14.05 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -31.983 -27.270 -26.016 1.00 16.91 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.402 -26.390 -27.196 1.00 15.48 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.330 -26.820 -28.363 1.00 17.20 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.129 -28.124 -25.501 1.00 21.35 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.743 -28.951 -24.289 1.00 31.60 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.169 -28.393 -22.930 1.00 38.74 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.408 -27.548 -22.315 1.00 24.30 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.265 -28.843 -22.456 1.00 47.59 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.871 -25.163 -26.950 1.00 13.30 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.278 -24.218 -28.014 1.00 13.47 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.140 -23.281 -28.411 1.00 12.38 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.337 -22.451 -29.289 1.00 13.77 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.509 -23.395 -27.598 1.00 14.61 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.789 -24.181 -27.555 1.00 17.05 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.894 -25.251 -28.177 1.00 19.55 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.755 -23.692 -26.786 1.00 18.64 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.918 -23.465 -27.901 1.00 10.82 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.760 -22.678 -28.298 1.00 10.53 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.505 -21.410 -27.515 1.00 9.73  ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.846 -20.528 -28.019 1.00 10.44 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -29.957 -21.369 -26.242 1.00 10.25 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.755 -20.175 -25.380 1.00 9.94  ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.073 -20.537 -24.062 1.00 9.40  ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.521 -21.547 -23.435 1.00 11.06 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.099 -19.502 -25.040 1.00 10.64 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.886 -19.002 -26.231 1.00 10.03 ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.794 -19.817 -26.868 1.00 10.59 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.755 -17.700 -26.676 1.00 10.55 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.528 -19.353 -27.959 1.00 11.50 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.484 -17.250 -27.760 1.00 11.22 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.374 -18.068 -28.363 1.00 11.15 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.120 -19.704 -23.646 1.00 8.70  ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.442 -19.811 -22.324 1.00 8.89  ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.603 -18.456 -21.657 1.00 8.21  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.860 -17.525 -21.962 1.00 9.25  ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -25.974 -20.249 -22.483 1.00 9.10  ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.885 -21.628 -23.092 1.00 9.40  ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.811 -22.835 -22.454 1.00 11.08 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.903 -21.952 -24.508 1.00 9.70  ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.839 -23.879 -23.361 1.00 11.32 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.909 -23.355 -24.615 1.00 10.74 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -25.961 -21.171 -25.673 1.00 10.20 ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.960 -23.981 -25.873 1.00 11.92 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -25.999 -21.805 -26.906 1.00 11.91 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.011 -23.176 -26.988 1.00 11.58 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.609 -18.367 -20.761 1.00 8.96  ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.127 -17.056 -20.289 1.00 9.40  ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.459 -17.125 -18.786 1.00 9.06  ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.721 -18.201 -18.248 1.00 9.26  ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.381 -16.614 -21.043 1.00 9.81  ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.421 -17.545 -20.834 1.00 10.52 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.074 -16.416 -22.513 1.00 10.07 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.496 -15.940 -18.193 1.00 9.49  ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.131 -15.714 -16.851 1.00 9.35  ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.137 -14.583 -17.030 1.00 9.84  ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.078 -13.827 -18.040 1.00 9.71  ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.119 -15.411 -15.725 1.00 9.64  ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.414 -14.067 -15.906 1.00 10.45 ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.105 -16.536 -15.634 1.00 10.54 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.604 -13.586 -14.725 1.00 11.08 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -31.992 -14.442 -16.047 1.00 9.47  ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.003 -13.373 -16.101 1.00 10.27 ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.425 -12.930 -14.727 1.00 10.25 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.244 -13.603 -13.708 1.00 10.77 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.203 -13.782 -16.899 1.00 12.36 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -34.994 -14.922 -16.401 1.00 13.69 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.847 -14.934 -15.333 1.00 14.21 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.109 -16.182 -17.040 1.00 14.87 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.503 -16.118 -15.294 1.00 16.78 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.089 -16.905 -16.328 1.00 14.89 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.519 -16.737 -18.172 1.00 16.05 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.435 -18.203 -16.673 1.00 17.93 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.903 -18.000 -18.531 1.00 17.47 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.846 -18.706 -17.808 1.00 16.82 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.027 -11.721 -14.734 1.00 10.23 ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.802 -11.183 -13.604 1.00 10.77 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.263 -11.142 -14.016 1.00 10.28 ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.573 -10.682 -15.122 1.00 10.64 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.350 -9.772  -13.307 1.00 10.87 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.180 -9.001  -12.268 1.00 11.00 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.197 -9.675  -10.894 1.00 11.95 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.722 -7.564  -12.181 1.00 12.54 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.162 -11.588 -13.137 1.00 11.73 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.614 -11.590 -13.385 1.00 12.07 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.310 -11.638 -12.037 1.00 13.97 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -39.023 -12.534 -11.224 1.00 14.56 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -38.972 -12.819 -14.216 1.00 15.61 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.418 -13.074 -14.354 1.00 18.67 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.197 -14.080 -13.823 1.00 19.70 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.276 -12.262 -15.155 1.00 18.08 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.476 -13.911 -14.239 1.00 19.79 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.563 -12.808 -15.046 1.00 17.21 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.094 -11.127 -15.947 1.00 17.80 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.667 -12.278 -15.705 1.00 21.47 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.191 -10.567 -16.558 1.00 22.28 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.461 -11.126 -16.440 1.00 20.70 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.205 -10.667 -11.780 1.00 12.51 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.028 -10.694 -10.537 1.00 13.36 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.141 -10.883 -9.332  1.00 14.83 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.498 -11.719 -8.423  1.00 15.86 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.135 -11.734 -10.668 1.00 15.36 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.066 -11.426 -11.825 1.00 16.28 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.335 -12.235 -11.901 1.00 18.17 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.280 -11.881 -12.640 1.00 20.83 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.384 -13.313 -11.144 1.00 16.71 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.130 -10.061 -9.208  1.00 15.02 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.320 -9.956  -7.990  1.00 18.90 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.526 -11.245 -7.699  1.00 19.40 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -36.916 -11.294 -6.590  1.00 26.53 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.276 -9.675  -6.822  1.00 22.72 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.645 -9.053  -5.626  1.00 30.73 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.700 -8.240  -5.790  1.00 34.28 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.173 -9.343  -4.513  1.00 41.83 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.386 -12.150 -8.668  1.00 15.29 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.466 -13.318 -8.532  1.00 17.28 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.545 -13.436 -9.745  1.00 14.48 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.927 -13.083 -10.907 1.00 14.74 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.253 -14.542 -8.160  1.00 21.67 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.979 -15.078 -9.220  1.00 31.63 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.354 -13.944 -9.502  1.00 12.82 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.358 -14.235 -10.564 1.00 11.87 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.320 -15.727 -10.816 1.00 11.45 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.335 -16.519 -9.863  1.00 12.28 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -31.996 -13.716 -10.145 1.00 12.21 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.924 -12.214 -9.901  1.00 12.50 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.180 -11.670 -8.649  1.00 12.77 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.561 -11.336 -10.908 1.00 11.53 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.058 -10.306 -8.407  1.00 13.61 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.487 -9.965  -10.693 1.00 11.92 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.718 -9.456  -9.432  1.00 12.47 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.695 -8.099  -9.201  1.00 14.02 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.301 -16.128 -12.090 0.25 11.11 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.290 -16.105 -12.096 0.25 11.19 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.288 -17.564 -12.483 0.25 11.72 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.300 -17.523 -12.541 0.25 11.83 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.374 -17.782 -13.690 0.25 10.48 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.249 -17.719 -13.640 0.25 10.30 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.305 -16.922 -14.556 0.25 10.93 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.893 -16.745 -14.341 0.25 9.65  ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.691 -18.059 -12.809 0.25 13.09 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.688 -17.924 -13.031 0.25 13.63 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.646 -18.030 -11.619 0.25 14.72 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.799 -17.695 -12.003 0.25 15.94 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.085 -18.344 -11.996 0.25 16.28 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -36.072 -18.873 -11.077 0.25 17.91 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.499 -17.960 -13.104 0.25 18.06 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.522 -19.960 -11.324 0.25 22.09 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.794 -18.976 -11.187 0.25 16.26 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.898 -18.717 -10.152 0.25 23.23 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.723 -18.947 -13.740 1.00 10.47 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -30.983 -19.378 -14.932 1.00 10.66 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.923 -20.122 -15.861 1.00 10.74 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.787 -20.937 -15.444 1.00 10.87 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.802 -20.262 -14.547 1.00 11.06 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.765 -19.851 -17.167 1.00 10.65 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.542 -20.450 -18.264 1.00 12.13 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.175 -21.875 -18.574 1.00 13.00 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.884 -22.217 -19.692 1.00 14.23 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.172 -22.746 -17.594 1.00 14.63 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.188 -24.196 -17.806 1.00 15.79 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.620 -24.673 -18.052 1.00 15.59 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.548 -23.902 -17.875 1.00 18.58 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.567 -24.831 -16.581 1.00 13.20 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.235 -24.378 -15.380 1.00 13.88 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.119 -24.542 -16.392 1.00 14.62 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.809 -25.959 -18.367 1.00 18.94 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.160 -26.527 -18.547 1.00 22.76 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.327 -27.725 -17.612 1.00 24.24 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.659 -28.748 -17.772 1.00 26.19 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.413 -26.889 -20.012 1.00 27.67 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.751 -27.365 -20.151 1.00 31.28 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.089 -27.585 -16.512 1.00 21.61 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.751 -26.343 -16.111 1.00 22.23 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.773 -25.336 -15.468 1.00 17.81 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.613 -25.669 -15.218 1.00 17.01 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.773 -26.831 -15.089 1.00 25.07 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.082 -27.982 -14.410 1.00 24.93 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.272 -28.660 -15.505 1.00 23.95 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.232 -24.108 -15.279 1.00 17.10 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.387 -22.992 -14.806 1.00 15.78 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.854 -23.274 -13.389 1.00 13.72 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.485 -24.011 -12.614 1.00 15.43 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.081 -21.635 -14.924 1.00 20.82 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.162 -21.356 -13.904 1.00 27.32 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.550 -21.686 -14.394 1.00 39.19 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.766 -22.606 -15.191 1.00 42.75 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.517 -20.952 -13.866 1.00 46.24 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.716 -22.683 -13.099 1.00 12.20 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -32.988 -22.864 -11.827 1.00 11.67 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -33.031 -21.571 -11.036 1.00 11.23 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.568 -20.536 -11.533 1.00 12.26 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.558 -23.345 -12.089 1.00 11.25 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.612 -24.569 -12.810 1.00 12.75 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.809 -23.517 -10.790 1.00 12.23 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.399 -21.630 -9.754  1.00 12.04 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.330 -20.489 -8.834  1.00 12.83 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.912 -20.012 -8.589  1.00 12.28 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -31.008 -20.868 -8.333  1.00 14.53 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -33.960 -20.932 -7.505  1.00 15.70 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.325 -21.227 -7.762  1.00 18.10 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.762 -19.898 -6.423  1.00 19.26 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.641 -18.724 -8.677  1.00 11.55 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.343 -18.116 -8.379  1.00 11.24 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.411 -17.555 -6.949  1.00 14.02 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.522 -17.269 -6.455  1.00 17.23 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.923 -17.033 -9.395  1.00 11.44 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.857 -17.557 -10.835 1.00 10.98 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.614 -16.444 -11.846 1.00 11.72 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.787 -18.639 -10.977 1.00 12.02 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.277 -17.438 -6.299  1.00 13.01 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.161 -16.962 -4.893  1.00 13.04 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.317 -15.699 -4.939  1.00 14.06 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.068 -15.782 -4.971  1.00 19.79 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.527 -18.072 -4.034  1.00 14.99 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.309 -19.345 -4.007  1.00 15.22 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -29.007 -20.416 -4.832  1.00 18.20 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.383 -19.710 -3.302  1.00 17.65 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.896 -21.375 -4.611  1.00 18.63 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.710 -20.993 -3.655  1.00 17.66 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -28.937 -14.549 -5.006  1.00 17.02 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.232 -13.248 -5.128  1.00 19.74 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.643 -12.411 -3.890  1.00 19.86 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.819 -12.188 -3.686  1.00 26.31 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.606 -12.590 -6.473  1.00 21.05 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.188 -13.470 -7.672  1.00 19.38 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -28.013 -11.187 -6.499  1.00 25.83 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.394 -12.863 -9.048  1.00 19.93 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.674 -12.058 -3.074  1.00 24.54 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.914 -11.267 -1.827  1.00 26.85 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.880 -9.771  -2.163  1.00 24.24 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.677 -9.008  -1.555  1.00 23.94 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.849 -11.637 -0.785  1.00 29.17 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -26.884 -10.789 0.495   1.00 37.86 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.168 -10.915 1.294   1.00 41.38 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -28.883 -11.912 1.221   1.00 45.68 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.479 -9.890  2.074   1.00 43.95 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.099 -9.384  -3.174  1.00 20.33 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -26.914 -7.944  -3.572  1.00 18.21 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.465 -7.758  -4.982  1.00 17.60 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.832 -8.239  -5.940  1.00 17.47 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.442 -7.528  -3.518  1.00 20.16 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.234 -6.095  -4.016  1.00 21.06 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -24.881 -7.675  -2.109  1.00 22.76 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.693 -7.234  -5.179  1.00 16.77 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.255 -7.103  -6.527  1.00 16.98 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.254 -6.424  -7.436  1.00 16.35 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.749 -5.356  -7.153  1.00 16.57 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.518 -6.247  -6.282  1.00 20.12 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -30.934 -6.675  -4.864  1.00 20.21 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.647 -6.793  -4.130  1.00 19.52 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.874 -7.025  -8.581  1.00 14.95 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.867 -6.443  -9.444  1.00 14.47 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.369 -5.229  -10.230 1.00 13.76 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.470 -5.265  -10.727 1.00 14.96 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.460 -7.632  -10.346 1.00 15.03 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.587 -8.575  -10.282 1.00 16.39 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.241 -8.402  -8.945  1.00 15.08 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.507 -4.233  -10.345 1.00 13.98 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.712 -3.104  -11.300 1.00 14.62 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.916 -3.346  -12.588 1.00 13.15 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.235 -2.769  -13.624 1.00 12.94 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.326 -1.761  -10.718 1.00 17.88 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.331 -1.334  -9.261  1.00 25.22 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.840 -4.153  -12.545 0.25 13.18 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -24.961 -4.277  -12.522 0.25 13.42 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.084 -4.563  -13.768 0.25 13.62 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.075 -4.613  -13.660 0.25 14.49 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.713 -6.047  -13.659 0.25 13.01 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.824 -6.121  -13.614 0.25 13.50 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.292 -6.494  -12.560 0.25 12.02 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.706 -6.688  -12.500 0.25 12.34 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.792 -3.777  -14.039 0.25 15.05 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.789 -3.789  -13.606 0.25 16.87 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -22.973 -2.288  -14.292 0.25 16.30 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.025 -2.295  -13.746 0.25 18.86 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -22.922 -1.535  -12.987 0.25 18.45 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.788 -1.532  -14.145 0.25 20.40 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.193 -1.911  -12.070 0.25 18.27 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.691 -2.075  -14.222 0.25 25.12 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.736 -0.492  -12.882 0.25 18.95 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -21.967 -0.257  -14.417 0.25 22.77 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.864 -6.743  -14.792 1.00 12.48 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.676 -8.209  -14.956 1.00 12.38 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.450 -8.369  -15.856 1.00 12.47 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.405 -7.783  -16.977 1.00 11.66 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.910 -8.862  -15.574 1.00 13.14 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.210 -8.680  -14.763 1.00 16.96 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.635 -10.349 -15.858 1.00 13.31 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.236 -9.410  -13.516 1.00 16.02 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.520 -9.257  -15.477 1.00 12.37 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.436 -9.699  -16.357 1.00 11.73 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.719 -11.074 -16.937 1.00 11.38 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.286 -11.929 -16.261 1.00 12.02 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.480 -11.212 -18.244 1.00 11.52 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.745 -12.480 -18.998 1.00 10.86 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.430 -12.967 -19.587 1.00 11.68 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.751 -12.219 -20.272 1.00 11.61 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.790 -12.243 -20.101 1.00 11.62 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.076 -11.720 -19.463 1.00 13.58 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.038 -13.526 -20.888 1.00 12.65 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.126 -11.354 -20.420 1.00 16.03 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.071 -14.195 -19.248 1.00 11.12 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.809 -14.831 -19.694 1.00 10.70 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.166 -16.074 -20.481 1.00 10.71 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.937 -16.930 -20.009 1.00 11.65 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -16.947 -15.239 -18.511 1.00 12.36 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.700 -16.008 -18.872 1.00 13.72 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.690 -15.385 -19.557 1.00 15.12 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.545 -17.335 -18.532 1.00 14.77 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.517 -16.069 -19.855 1.00 17.33 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.391 -18.038 -18.861 1.00 17.19 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.387 -17.391 -19.521 1.00 16.02 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.598 -16.200 -21.691 1.00 10.93 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.757 -17.389 -22.567 1.00 11.54 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.372 -17.977 -22.843 1.00 10.93 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.489 -17.265 -23.304 1.00 12.72 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.492 -17.050 -23.873 1.00 11.44 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.610 -18.289 -24.754 1.00 13.56 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.857 -16.429 -23.574 1.00 12.91 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.227 -19.258 -22.551 1.00 11.62 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.032 -20.050 -22.981 1.00 13.02 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.555 -21.064 -23.991 1.00 11.11 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.184 -22.074 -23.626 1.00 11.88 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.319 -20.662 -21.802 1.00 13.05 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.056 -21.434 -22.174 1.00 15.29 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.930 -21.868 -23.354 1.00 15.90 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.227 -21.557 -21.213 1.00 19.37 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.332 -20.770 -25.278 1.00 12.36 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.899 -21.600 -26.361 1.00 12.47 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.372 -23.046 -26.291 1.00 12.92 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.111 -23.992 -26.251 1.00 14.65 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.644 -20.974 -27.745 1.00 12.26 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.564 -21.570 -28.790 1.00 13.11 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.404 -22.859 -29.286 1.00 13.01 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.712 -20.898 -29.186 1.00 12.51 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.294 -23.424 -30.174 1.00 12.73 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.618 -21.449 -30.078 1.00 12.31 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.423 -22.725 -30.572 1.00 12.53 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.311 -23.339 -31.407 1.00 13.14 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.066 -23.170 -26.179 1.00 15.26 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.427 -24.510 -26.205 1.00 15.88 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.865 -25.320 -25.002 1.00 15.16 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.174 -26.527 -25.148 1.00 17.57 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.916 -24.389 -26.285 1.00 17.97 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.471 -24.205 -27.745 1.00 24.67 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.872 -22.900 -28.342 1.00 27.98 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.147 -22.884 -29.504 1.00 24.46 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.902 -21.877 -27.596 1.00 31.96 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.923 -24.725 -23.820 1.00 13.80 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.305 -25.421 -22.595 1.00 14.97 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.805 -25.714 -22.518 1.00 14.25 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.207 -26.587 -21.727 1.00 16.63 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.870 -24.613 -21.400 1.00 16.42 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.656 -25.065 -23.309 1.00 12.50 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.103 -25.199 -23.216 1.00 11.87 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.660 -24.581 -21.922 1.00 10.75 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.425 -25.265 -21.240 1.00 12.29 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.235 -23.356 -21.621 1.00 10.98 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.636 -22.671 -20.349 1.00 12.08 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.236 -21.307 -20.687 1.00 11.21 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.637 -20.529 -21.458 1.00 11.98 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.400 -22.497 -19.440 1.00 13.37 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.666 -21.523 -18.273 1.00 14.27 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.946 -23.878 -18.971 1.00 14.30 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.327 -20.983 -19.996 1.00 10.99 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.868 -19.594 -19.933 1.00 10.17 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.061 -19.254 -18.442 1.00 9.73  ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.840 -19.979 -17.777 1.00 10.65 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.207 -19.486 -20.696 1.00 10.24 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.702 -18.028 -20.681 1.00 10.66 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.080 -20.008 -22.124 1.00 10.43 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.440 -18.190 -17.986 1.00 9.42  ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.535 -17.795 -16.567 1.00 10.54 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -20.999 -16.345 -16.474 1.00 10.35 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.701 -15.524 -17.306 1.00 11.12 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.185 -17.971 -15.875 1.00 10.45 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.865 -19.356 -15.740 1.00 12.08 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.691 -16.076 -15.369 1.00 9.43  ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.329 -14.782 -15.062 1.00 10.11 ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.784 -14.325 -13.722 1.00 9.66  ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.804 -15.123 -12.734 1.00 10.47 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.872 -14.889 -15.040 1.00 10.30 ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.433 -15.285 -16.376 1.00 10.12 ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.505 -16.628 -16.746 1.00 9.86  ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -24.953 -14.323 -17.233 1.00 10.59 ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -24.985 -16.968 -18.001 1.00 10.29 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.433 -14.689 -18.489 1.00 9.25  ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.518 -16.016 -18.835 1.00 9.48  ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.448 -13.043 -13.639 1.00 10.27 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.808 -12.427 -12.448 1.00 12.00 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.584 -11.176 -12.024 1.00 12.83 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.047 -10.375 -12.840 1.00 12.73 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.337 -12.121 -12.716 1.00 12.42 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.527 -13.359 -12.992 1.00 12.60 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.047 -14.155 -11.969 1.00 13.61 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.348 -13.817 -14.291 1.00 13.22 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.368 -15.334 -12.237 1.00 13.85 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.652 -14.982 -14.580 1.00 14.45 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.125 -15.737 -13.542 1.00 14.12 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.479 -16.942 -13.793 1.00 16.13 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.624 -10.951 -10.710 1.00 12.92 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.321 -9.782  -10.094 1.00 12.88 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.288 -8.671  -9.907  1.00 12.86 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.534 -8.700  -8.897  1.00 14.80 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -22.928 -10.211 -8.762  1.00 12.33 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.751 -9.116  -8.110  1.00 13.15 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.579 -7.950  -8.482  1.00 14.67 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.651 -9.518  -7.256  1.00 14.69 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.197 -7.678  -10.790 1.00 13.95 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.122 -6.661  -10.751 1.00 15.59 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.373 -5.784  -9.505  1.00 17.14 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.397 -5.310  -8.930  1.00 18.86 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.115 -5.877  -12.068 1.00 16.32 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -19.938 -6.787  -13.297 1.00 17.64 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.094 -4.747  -12.059 1.00 18.05 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.853 -7.812  -13.134 1.00 21.45 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.621 -5.553  -9.139  1.00 16.39 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.016 -4.709  -7.961  1.00 16.96 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.446 -5.347  -6.695  1.00 20.05 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -20.996 -4.588  -5.801  1.00 23.61 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.547 -4.572  -7.897  1.00 16.10 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -23.983 -4.111  -9.177  1.00 16.44 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -23.972 -3.593  -6.820  1.00 18.10 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.426 -6.677  -6.605  1.00 18.59 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -20.896 -7.438  -5.438  1.00 18.31 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.479 -7.973  -5.703  1.00 19.52 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.262 -9.182  -5.512  1.00 19.77 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -21.905 -8.472  -5.041  1.00 18.14 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.526 -9.254  -3.810  1.00 23.23 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.018 -8.625  -2.843  1.00 23.49 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.695 -10.481 -3.863  1.00 23.28 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.558 -7.116  -6.113  1.00 22.02 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.106 -7.434  -6.218  1.00 26.47 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -16.906 -8.631  -7.160  1.00 24.57 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -15.971 -9.398  -6.976  1.00 26.67 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.483 -7.788  -4.854  1.00 31.95 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.759 -6.859  -3.713  1.00 40.79 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.122 -5.633  -3.579  1.00 48.55 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.535 -7.010  -2.615  1.00 46.18 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.528 -5.047  -2.468  1.00 51.14 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.397 -5.875  -1.853  1.00 49.83 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.768 -8.803  -8.157  1.00 20.53 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.526 -9.838  -9.182  1.00 16.81 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -17.956 -11.225 -8.746  1.00 16.62 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.451 -12.161 -9.347  1.00 16.39 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.776 -11.383 -7.720  1.00 14.92 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.164 -12.714 -7.196  1.00 13.18 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.863 -13.552 -8.275  1.00 14.14 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.655 -13.032 -9.099  1.00 13.65 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.004 -12.597 -5.955  1.00 14.36 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.197 -11.848 -6.143  1.00 15.53 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.650 -14.846 -8.270  1.00 12.82 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.328 -15.732 -9.255  1.00 11.66 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.827 -15.788 -9.018  1.00 11.27 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.326 -16.004 -7.886  1.00 12.00 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.734 -17.141 -9.135  1.00 12.30 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.285 -18.204 -10.097 1.00 12.01 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.901 -17.930 -11.533 1.00 12.25 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.728 -19.602 -9.708  1.00 13.30 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.576 -15.663 -10.117 1.00 10.66 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.020 -15.874 -10.154 1.00 11.14 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.352 -17.289 -10.595 1.00 9.99  ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.171 -17.967 -10.019 1.00 10.58 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.707 -14.796 -11.032 1.00 11.47 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.536 -13.407 -10.420 1.00 12.39 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.181 -15.126 -11.218 1.00 11.31 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -24.978 -12.280 -11.343 1.00 12.96 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.801 -17.705 -11.753 1.00 10.21 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.205 -18.995 -12.345 1.00 9.69  ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.162 -19.397 -13.400 1.00 9.80  ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.653 -18.528 -14.127 1.00 10.70 ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.575 -18.918 -13.080 1.00 9.61  ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.115 -20.271 -13.413 1.00 9.68  ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.759 -21.059 -12.469 1.00 10.51 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -25.985 -20.779 -14.698 1.00 9.91  ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.225 -22.321 -12.797 1.00 10.98 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.422 -22.041 -15.020 1.00 10.51 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -27.035 -22.816 -14.073 1.00 11.12 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.431 -24.106 -14.333 1.00 13.55 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.893 -20.708 -13.488 1.00 10.03 ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.053 -21.317 -14.550 1.00 10.71 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.823 -22.417 -15.238 1.00 10.07 ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.201 -23.404 -14.633 1.00 10.84 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.716 -21.859 -13.993 1.00 11.12 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.939 -20.736 -13.601 1.00 11.44 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.974 -22.676 -15.047 1.00 12.52 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.027 -22.248 -16.560 1.00 10.04 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.420 -23.355 -17.462 1.00 10.21 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.109 -24.039 -17.902 1.00 10.75 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.251 -23.387 -18.460 1.00 11.05 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.090 -22.848 -18.733 1.00 10.42 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.456 -22.225 -18.577 1.00 8.74  ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.627 -20.864 -18.313 1.00 8.71  ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.583 -22.983 -18.780 1.00 9.25  ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.903 -20.328 -18.234 1.00 9.56  ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.859 -22.443 -18.687 1.00 9.60  ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -27.992 -21.105 -18.432 1.00 8.61  ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.016 -25.336 -17.623 1.00 12.36 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.867 -26.123 -18.108 1.00 13.66 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.391 -27.264 -18.965 1.00 13.31 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.605 -27.529 -19.037 1.00 15.12 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.045 -26.549 -16.917 1.00 15.57 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.708 -27.527 -16.154 1.00 18.73 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.441 -27.925 -19.651 1.00 15.73 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.792 -28.995 -20.629 1.00 16.84 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.748 -28.434 -21.689 1.00 15.21 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.664 -29.163 -22.155 1.00 17.29 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.430 -30.209 -19.957 1.00 21.11 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.781 -30.671 -18.668 1.00 26.16 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.413 -31.990 -18.271 1.00 37.68 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.379 -31.978 -17.477 1.00 41.75 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -21.006 -33.018 -18.845 1.00 42.43 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.529 -27.176 -22.073 1.00 14.04 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.398 -26.534 -23.079 1.00 13.03 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.158 -27.177 -24.455 1.00 13.94 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.941 -27.417 -24.770 1.00 15.73 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.199 -25.030 -23.212 1.00 12.62 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.592 -24.107 -21.700 1.00 12.77 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.226 -27.402 -25.201 1.00 14.01 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.079 -27.902 -26.592 1.00 14.85 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.514 -26.754 -27.497 1.00 13.34 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.695 -26.626 -27.864 1.00 16.05 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.839 -29.248 -26.739 1.00 18.17 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.703 -29.726 -28.183 1.00 18.70 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.342 -30.313 -25.770 1.00 20.34 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.602 -25.839 -27.816 1.00 13.07 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.901 -24.597 -28.557 1.00 13.21 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.460 -24.953 -29.936 1.00 15.15 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.478 -24.389 -30.359 1.00 15.62 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.716 -23.655 -28.551 1.00 12.75 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.288 -23.174 -27.180 1.00 11.39 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.230 -22.646 -26.300 1.00 12.20 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -19.956 -23.180 -26.803 1.00 12.97 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.852 -22.197 -25.042 1.00 11.88 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.570 -22.713 -25.556 1.00 12.54 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.513 -22.191 -24.696 1.00 12.20 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.788 -25.860 -30.638 1.00 13.64 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.262 -26.402 -31.928 1.00 14.70 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.354 -25.326 -33.001 1.00 13.89 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.145 -25.541 -33.993 1.00 15.19 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.525 -27.170 -31.762 1.00 14.62 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.554 -24.294 -32.933 1.00 14.73 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.545 -23.226 -33.937 1.00 15.94 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.907 -21.974 -33.405 1.00 13.54 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.505 -21.927 -32.211 1.00 13.43 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.794 -20.952 -34.229 1.00 12.25 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.335 -19.651 -33.794 1.00 12.00 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.287 -19.095 -32.714 1.00 12.28 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.495 -19.345 -32.781 1.00 12.50 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.330 -18.755 -35.028 1.00 12.36 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.488 -19.767 -36.190 1.00 13.06 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.195 -20.952 -35.652 1.00 12.55 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.715 -18.348 -31.793 1.00 11.71 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.486 -17.706 -30.678 1.00 11.53 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.602 -16.214 -30.926 1.00 12.28 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.671 -15.568 -31.387 1.00 13.11 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.803 -17.941 -29.332 1.00 11.72 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.827 -19.380 -28.815 1.00 12.87 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -20.994 -19.459 -27.555 1.00 12.67 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.255 -19.872 -28.598 1.00 13.43 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.743 -15.650 -30.509 1.00 11.48 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -23.972 -14.193 -30.495 1.00 11.43 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.391 -13.718 -29.100 1.00 9.29  ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.159 -14.406 -28.439 1.00 10.40 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.037 -13.844 -31.536 1.00 13.08 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.523 -14.192 -32.942 1.00 15.63 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.405 -13.839 -34.082 1.00 17.95 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.449 -12.399 -34.170 1.00 16.85 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.154 -11.777 -35.096 1.00 17.33 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.763 -12.484 -36.018 1.00 17.57 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.196 -10.459 -35.102 1.00 15.43 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -23.930 -12.520 -28.690 1.00 9.52  ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.471 -11.927 -27.452 1.00 9.44  ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -25.988 -11.770 -27.604 1.00 9.28  ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.473 -11.430 -28.678 1.00 9.72  ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.764 -10.572 -27.352 1.00 9.69  ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.472 -10.772 -28.161 1.00 11.41 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.928 -11.640 -29.311 1.00 11.56 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.718 -12.058 -26.534 1.00 9.04  ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.188 -12.073 -26.510 1.00 9.47  ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.715 -11.133 -25.427 1.00 8.60  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.232 -11.138 -24.274 1.00 8.96  ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.683 -13.498 -26.267 1.00 9.71  ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.178 -13.591 -26.086 1.00 9.82  ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.024 -13.574 -27.182 1.00 10.33 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.742 -13.637 -24.829 1.00 10.49 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.405 -13.637 -27.009 1.00 10.75 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.111 -13.655 -24.662 1.00 10.05 ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -32.937 -13.678 -25.756 1.00 10.69 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.799 -10.391 -25.750 1.00 8.87  ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.401 -9.364  -24.865 1.00 8.93  ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.920 -9.424  -24.985 1.00 9.62  ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.428 -9.489  -26.095 1.00 9.89  ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -29.943 -7.944  -25.235 1.00 9.37  ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.439 -7.796  -25.341 1.00 9.29  ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.784 -8.099  -26.531 1.00 9.25  ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.662 -7.351  -24.276 1.00 10.91 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.400 -8.045  -26.637 1.00 9.27  ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.289 -7.239  -24.401 1.00 10.96 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.667 -7.571  -25.591 1.00 11.02 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.592 -9.251  -23.873 1.00 9.55  ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.048 -8.998  -23.834 1.00 9.26  ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.261 -7.861  -22.850 1.00 8.86  ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -33.969 -8.037  -21.659 1.00 9.88  ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.843 -10.236 -23.434 1.00 9.25  ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.342 -10.036 -23.496 1.00 10.88 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.845 -8.979  -23.804 1.00 11.42 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.069 -11.103 -23.271 1.00 11.72 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.805 -6.715  -23.306 1.00 9.48  ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.055 -5.551  -22.410 1.00 9.85  ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.325 -5.774  -21.583 1.00 10.35 ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.569 -4.968  -20.659 1.00 10.94 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.133 -4.197  -23.148 1.00 11.02 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.835 -3.894  -23.858 1.00 11.47 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.293 -4.167  -24.134 1.00 11.16 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.131 -6.788  -21.933 1.00 10.37 ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.423 -7.041  -21.257 1.00 11.01 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.515 -6.087  -21.668 1.00 11.01 ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.283 -5.044  -22.259 1.00 10.59 ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.738 -6.539  -21.434 1.00 11.44 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -41.947 -5.705  -21.612 1.00 10.93 ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -41.979 -4.624  -20.555 1.00 10.86 ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.291 -4.673  -19.552 1.00 11.02 ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.219 -6.554  -21.677 1.00 11.72 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.331 -7.422  -22.903 1.00 12.44 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.709 -6.891  -24.127 1.00 15.02 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.085 -8.788  -22.834 1.00 14.46 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.780 -7.703  -25.262 1.00 16.31 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.187 -9.583  -23.973 1.00 14.91 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.569 -9.038  -25.151 1.00 15.28 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.869 -3.665  -20.780 1.00 10.91 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.064 -2.566  -19.799 1.00 10.40 ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.579 -2.392  -19.586 1.00 11.02 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.084 -1.257  -19.614 1.00 12.95 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.388 -1.284  -20.256 1.00 11.04 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.425 -0.194  -19.231 1.00 11.33 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.473 -0.426  -18.031 1.00 11.12 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.407 1.051   -19.703 1.00 13.42 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.258 -3.466  -19.259 1.00 11.46 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.684 -3.398  -18.847 1.00 10.59 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.815 -2.598  -17.556 1.00 11.36 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.922 -1.971  -17.321 1.00 12.77 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.252 -4.814  -18.661 1.00 11.47 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.345 -5.663  -19.896 1.00 14.11 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.346 -5.427  -20.831 1.00 17.15 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.489 -6.733  -20.084 1.00 16.50 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.400 -6.162  -22.010 1.00 18.58 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.566 -7.488  -21.261 1.00 15.64 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.507 -7.189  -22.212 1.00 17.88 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.597 -7.967  -23.355 1.00 22.90 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.870 -2.613  -16.631 1.00 10.89 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -45.953 -2.029  -15.276 1.00 12.32 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.673 -0.522  -15.302 1.00 12.44 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -45.987 0.146   -14.290 1.00 14.36 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -44.985 -2.675  -14.349 1.00 12.60 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.644 -2.374  -14.771 1.00 12.90 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.051 0.003   -16.354 1.00 11.01 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.534 1.382   -16.305 1.00 11.05 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.277 1.531   -15.470 1.00 12.07 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.803 2.664   -15.329 1.00 14.24 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.729 0.440   -14.917 1.00 11.98 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.506 0.474   -14.112 1.00 11.49 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.302 -0.175  -14.792 1.00 12.02 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.239 -0.226  -14.125 1.00 13.80 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.435 -0.569  -16.054 1.00 10.06 ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.349 -1.289  -16.748 1.00 10.33 ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.903 -0.591  -18.034 1.00 10.43 ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.326 -1.261  -18.894 1.00 11.55 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.709 -2.733  -17.071 1.00 9.96  ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.495 -3.594  -17.350 1.00 10.34 ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.460 -3.412  -16.713 1.00 10.86 ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.680 -4.511  -18.288 1.00 10.44 ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -38.977 0.736   -18.100 1.00 10.95 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.592 1.461   -19.338 1.00 12.12 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.072 1.608   -19.484 1.00 11.83 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.640 1.869   -20.613 1.00 13.94 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.219 2.868   -19.334 1.00 13.24 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.316 1.465   -18.414 1.00 11.39 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.858 1.752   -18.481 1.00 11.55 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.163 0.859   -19.524 1.00 11.65 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.538 -0.299  -19.766 1.00 11.33 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.238 1.613   -17.116 1.00 11.97 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.058 1.352   -20.107 1.00 11.30 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.321 0.583   -21.109 1.00 11.09 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.401 -0.509  -20.512 1.00 9.80  ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.085 -0.469  -19.326 1.00 11.32 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.439 1.665   -21.769 1.00 12.47 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.182 2.636   -20.655 1.00 14.23 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.519 2.711   -19.918 1.00 13.86 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.024 -1.459  -21.357 1.00 10.35 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.773 -2.217  -21.182 1.00 10.24 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.645 -1.405  -21.814 1.00 10.70 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.820 -0.934  -22.948 1.00 12.73 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -29.926 -3.579  -21.835 1.00 10.25 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -30.953 -4.540  -21.196 1.00 11.32 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.123 -5.818  -21.993 1.00 12.51 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.609 -4.905  -19.759 1.00 13.53 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.493 -1.356  -21.157 1.00 11.10 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.343 -0.596  -21.694 1.00 11.75 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.110 -1.482  -21.663 1.00 12.23 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.780 -2.008  -20.573 1.00 12.51 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.089 0.704   -20.915 1.00 13.50 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.267 1.641   -20.697 1.00 16.72 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.827 2.978   -20.104 1.00 21.00 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.974 3.838   -19.635 1.00 25.05 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.458 4.999   -18.859 1.00 31.23 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.377 -1.542  -22.739 1.00 12.66 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.036 -2.185  -22.737 1.00 12.57 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.051 -1.247  -22.062 1.00 14.63 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.894 -0.101  -22.551 1.00 17.63 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.655 -2.568  -24.168 1.00 12.64 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.403 -3.820  -24.647 1.00 13.72 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.568 -3.903  -26.147 1.00 17.85 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.772 -5.099  -24.081 1.00 12.53 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.399 -1.710  -21.005 1.00 15.45 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.494 -0.863  -20.178 1.00 18.69 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.127 -0.784  -20.810 1.00 19.72 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.646 -1.736  -21.387 1.00 19.89 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.194 -1.495  -18.837 1.00 20.42 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.632 -2.041  -17.929 1.00 21.33 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.445 0.363   -20.636 1.00 25.35 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.116 0.557   -21.177 1.00 30.41 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.131 -0.397  -20.499 1.00 29.77 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.288 -0.689  -19.306 1.00 30.57 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.840 2.052   -20.909 1.00 28.85 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.774 2.453   -19.812 1.00 30.22 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -18.984 1.566   -19.976 1.00 27.42 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.192 -0.868  -21.318 1.00 35.68 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -13.920 -1.562  -20.988 1.00 38.85 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.011 -0.628  -20.187 1.00 44.39 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.286 -1.131  -19.322 1.00 51.63 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.241 -1.940  -22.309 1.00 39.65 ? 192 LEU   B CB  1 
HETATM 1567 N N1  . A1A3W B 2 .   ? -43.237 -7.100  -29.645 0.54 27.52 ? 201 A1A3W B N1  1 
HETATM 1568 C C4  . A1A3W B 2 .   ? -45.683 -6.681  -28.366 0.54 28.72 ? 201 A1A3W B C4  1 
HETATM 1569 C C5  . A1A3W B 2 .   ? -45.257 -7.957  -28.705 0.54 28.44 ? 201 A1A3W B C5  1 
HETATM 1570 C C6  . A1A3W B 2 .   ? -44.043 -8.118  -29.338 0.54 28.48 ? 201 A1A3W B C6  1 
HETATM 1571 C C7  . A1A3W B 2 .   ? -43.644 -5.878  -29.300 0.54 26.19 ? 201 A1A3W B C7  1 
HETATM 1572 C C8  . A1A3W B 2 .   ? -44.846 -5.621  -28.673 0.54 26.15 ? 201 A1A3W B C8  1 
HETATM 1573 C C3  . A1A3W B 2 .   ? -46.560 -4.973  -25.763 0.54 34.75 ? 201 A1A3W B C3  1 
HETATM 1574 N N   . A1A3W B 2 .   ? -47.207 -5.143  -27.062 0.54 34.87 ? 201 A1A3W B N   1 
HETATM 1575 C C2  . A1A3W B 2 .   ? -47.018 -6.479  -27.660 0.54 31.80 ? 201 A1A3W B C2  1 
HETATM 1576 C C1  . A1A3W B 2 .   ? -48.200 -6.742  -28.594 0.54 31.60 ? 201 A1A3W B C1  1 
HETATM 1577 C C   . A1A3W B 2 .   ? -48.142 -5.963  -29.862 0.54 32.04 ? 201 A1A3W B C   1 
HETATM 1578 C C1  . EDO   C 3 .   ? -50.530 -17.043 -33.071 1.00 39.86 ? 202 EDO   B C1  1 
HETATM 1579 O O1  . EDO   C 3 .   ? -49.259 -16.420 -33.040 1.00 32.82 ? 202 EDO   B O1  1 
HETATM 1580 C C2  . EDO   C 3 .   ? -51.138 -17.172 -31.742 1.00 39.10 ? 202 EDO   B C2  1 
HETATM 1581 O O2  . EDO   C 3 .   ? -51.171 -15.936 -31.088 1.00 46.23 ? 202 EDO   B O2  1 
HETATM 1582 S S   . SO4   D 4 .   ? -40.448 -24.561 -26.278 1.00 37.49 ? 203 SO4   B S   1 
HETATM 1583 O O1  . SO4   D 4 .   ? -39.733 -23.605 -27.054 1.00 24.05 ? 203 SO4   B O1  1 
HETATM 1584 O O2  . SO4   D 4 .   ? -41.356 -25.288 -27.110 1.00 44.64 ? 203 SO4   B O2  1 
HETATM 1585 O O3  . SO4   D 4 .   ? -39.484 -25.474 -25.693 1.00 43.28 ? 203 SO4   B O3  1 
HETATM 1586 O O4  . SO4   D 4 .   ? -41.180 -23.918 -25.212 1.00 40.97 ? 203 SO4   B O4  1 
HETATM 1587 O O   . HOH   E 5 .   ? -47.059 -16.714 -31.998 1.00 21.08 ? 301 HOH   B O   1 
HETATM 1588 O O   . HOH   E 5 .   ? -45.119 7.362   -24.685 1.00 38.51 ? 302 HOH   B O   1 
HETATM 1589 O O   . HOH   E 5 .   ? -38.034 2.780   -22.727 1.00 18.00 ? 303 HOH   B O   1 
HETATM 1590 O O   . HOH   E 5 .   ? -36.802 -16.248 -39.365 1.00 27.10 ? 304 HOH   B O   1 
HETATM 1591 O O   . HOH   E 5 .   ? -47.108 1.321   -25.574 1.00 32.49 ? 305 HOH   B O   1 
HETATM 1592 O O   . HOH   E 5 .   ? -32.944 1.130   -33.466 1.00 19.27 ? 306 HOH   B O   1 
HETATM 1593 O O   . HOH   E 5 .   ? -49.756 -1.786  -19.290 1.00 24.40 ? 307 HOH   B O   1 
HETATM 1594 O O   . HOH   E 5 .   ? -30.839 -20.310 -21.297 1.00 11.87 ? 308 HOH   B O   1 
HETATM 1595 O O   . HOH   E 5 .   ? -45.154 -12.254 -26.552 1.00 30.30 ? 309 HOH   B O   1 
HETATM 1596 O O   . HOH   E 5 .   ? -40.927 -9.368  -36.728 1.00 26.85 ? 310 HOH   B O   1 
HETATM 1597 O O   . HOH   E 5 .   ? -38.803 -2.446  -21.320 1.00 13.81 ? 311 HOH   B O   1 
HETATM 1598 O O   . HOH   E 5 .   ? -34.108 -21.964 -31.328 1.00 18.60 ? 312 HOH   B O   1 
HETATM 1599 O O   . HOH   E 5 .   ? -38.442 3.827   -42.177 1.00 24.64 ? 313 HOH   B O   1 
HETATM 1600 O O   . HOH   E 5 .   ? -37.963 -14.528 -21.419 1.00 33.11 ? 314 HOH   B O   1 
HETATM 1601 O O   . HOH   E 5 .   ? -42.588 -5.755  -12.259 1.00 18.88 ? 315 HOH   B O   1 
HETATM 1602 O O   . HOH   E 5 .   ? -42.193 -3.915  -39.392 1.00 19.59 ? 316 HOH   B O   1 
HETATM 1603 O O   . HOH   E 5 .   ? -40.247 -14.346 -31.360 1.00 13.29 ? 317 HOH   B O   1 
HETATM 1604 O O   . HOH   E 5 .   ? -36.515 -0.970  -22.045 1.00 12.92 ? 318 HOH   B O   1 
HETATM 1605 O O   . HOH   E 5 .   ? -41.008 -5.983  -37.997 1.00 24.91 ? 319 HOH   B O   1 
HETATM 1606 O O   . HOH   E 5 .   ? -33.394 -1.831  -38.406 1.00 25.14 ? 320 HOH   B O   1 
HETATM 1607 O O   . HOH   E 5 .   ? -41.749 1.552   -22.455 1.00 31.10 ? 321 HOH   B O   1 
HETATM 1608 O O   . HOH   E 5 .   ? -45.682 -19.639 -31.604 1.00 25.02 ? 322 HOH   B O   1 
HETATM 1609 O O   . HOH   E 5 .   ? -35.470 -4.623  -42.120 1.00 21.88 ? 323 HOH   B O   1 
HETATM 1610 O O   . HOH   E 5 .   ? -45.753 -14.688 -27.545 1.00 34.36 ? 324 HOH   B O   1 
HETATM 1611 O O   . HOH   E 5 .   ? -36.420 -0.227  -42.144 1.00 35.64 ? 325 HOH   B O   1 
HETATM 1612 O O   . HOH   E 5 .   ? -31.497 3.462   -26.771 1.00 22.84 ? 326 HOH   B O   1 
HETATM 1613 O O   . HOH   E 5 .   ? -31.007 4.093   -24.331 1.00 24.19 ? 327 HOH   B O   1 
HETATM 1614 O O   . HOH   E 5 .   ? -40.005 -11.460 -22.723 1.00 29.74 ? 328 HOH   B O   1 
HETATM 1615 O O   . HOH   E 5 .   ? -40.303 -7.465  -34.672 1.00 19.38 ? 329 HOH   B O   1 
HETATM 1616 O O   . HOH   E 5 .   ? -42.397 -5.000  -43.684 1.00 21.76 ? 330 HOH   B O   1 
HETATM 1617 O O   . HOH   E 5 .   ? -43.355 3.793   -18.815 1.00 20.12 ? 331 HOH   B O   1 
HETATM 1618 O O   . HOH   E 5 .   ? -41.084 -8.785  -19.377 1.00 14.18 ? 332 HOH   B O   1 
HETATM 1619 O O   . HOH   E 5 .   ? -38.757 3.935   -13.638 1.00 32.79 ? 333 HOH   B O   1 
HETATM 1620 O O   . HOH   E 5 .   ? -43.741 -0.574  -24.278 1.00 26.57 ? 334 HOH   B O   1 
# 
